Site-specific Aspartic Acid Dehydration and Isomerization in Streptococcal Protein GB1: L-isoAsp40 Variant
ID | Entity ID | Seq ID | Comp ID | Atom ID | Atom type | Val | Val err | Ambig. code |
---|---|---|---|---|---|---|---|---|
1 | 1 | 1 | MET | HA | H | 4.178 | 0.002 | 1 |
2 | 1 | 1 | MET | HB2 | H | 2.205 | 0.000 | 2 |
3 | 1 | 1 | MET | HB3 | H | 2.095 | 0.000 | 2 |
4 | 1 | 1 | MET | HG2 | H | 2.430 | 0.000 | 1 |
5 | 1 | 1 | MET | HG3 | H | 2.430 | 0.000 | 1 |
6 | 1 | 1 | MET | HE1 | H | 2.128 | 0.000 | 1 |
7 | 1 | 1 | MET | HE2 | H | 2.128 | 0.000 | 1 |
8 | 1 | 1 | MET | HE3 | H | 2.128 | 0.000 | 1 |
9 | 1 | 2 | GLN | H | H | 8.367 | 0.000 | 1 |
10 | 1 | 2 | GLN | HA | H | 4.985 | 0.000 | 1 |
11 | 1 | 2 | GLN | HB2 | H | 2.043 | 0.000 | 2 |
12 | 1 | 2 | GLN | HB3 | H | 1.994 | 0.000 | 2 |
13 | 1 | 2 | GLN | HG2 | H | 2.367 | 0.001 | 2 |
14 | 1 | 2 | GLN | HG3 | H | 2.132 | 0.001 | 2 |
15 | 1 | 2 | GLN | HE21 | H | 6.917 | 0.000 | 2 |
16 | 1 | 2 | GLN | HE22 | H | 7.851 | 0.000 | 2 |
17 | 1 | 3 | TYR | H | H | 9.117 | 0.002 | 1 |
18 | 1 | 3 | TYR | HA | H | 5.376 | 0.001 | 1 |
19 | 1 | 3 | TYR | HB2 | H | 3.409 | 0.001 | 2 |
20 | 1 | 3 | TYR | HB3 | H | 2.755 | 0.001 | 2 |
21 | 1 | 3 | TYR | HD1 | H | 7.149 | 0.000 | 1 |
22 | 1 | 3 | TYR | HD2 | H | 7.149 | 0.000 | 1 |
23 | 1 | 3 | TYR | HE1 | H | 6.925 | 0.000 | 1 |
24 | 1 | 3 | TYR | HE2 | H | 6.925 | 0.000 | 1 |
25 | 1 | 4 | LYS | H | H | 9.096 | 0.001 | 1 |
26 | 1 | 4 | LYS | HA | H | 5.239 | 0.003 | 1 |
27 | 1 | 4 | LYS | HB2 | H | 2.043 | 0.004 | 2 |
28 | 1 | 4 | LYS | HB3 | H | 1.906 | 0.003 | 2 |
29 | 1 | 4 | LYS | HG2 | H | 1.475 | 0.007 | 2 |
30 | 1 | 4 | LYS | HG3 | H | 1.355 | 0.005 | 2 |
31 | 1 | 4 | LYS | HD2 | H | 1.627 | 0.003 | 1 |
32 | 1 | 4 | LYS | HD3 | H | 1.627 | 0.003 | 1 |
33 | 1 | 4 | LYS | HE2 | H | 2.859 | 0.002 | 2 |
34 | 1 | 4 | LYS | HE3 | H | 2.785 | 0.001 | 2 |
35 | 1 | 5 | LEU | H | H | 8.651 | 0.001 | 1 |
36 | 1 | 5 | LEU | HA | H | 4.945 | 0.003 | 1 |
37 | 1 | 5 | LEU | HB2 | H | 0.804 | 0.001 | 2 |
38 | 1 | 5 | LEU | HB3 | H | -1.109 | 0.001 | 2 |
39 | 1 | 5 | LEU | HG | H | 0.864 | 0.001 | 1 |
40 | 1 | 5 | LEU | HD11 | H | 0.471 | 0.001 | 2 |
41 | 1 | 5 | LEU | HD12 | H | 0.471 | 0.001 | 2 |
42 | 1 | 5 | LEU | HD13 | H | 0.471 | 0.001 | 2 |
43 | 1 | 5 | LEU | HD21 | H | 0.570 | 0.001 | 2 |
44 | 1 | 5 | LEU | HD22 | H | 0.570 | 0.001 | 2 |
45 | 1 | 5 | LEU | HD23 | H | 0.570 | 0.001 | 2 |
46 | 1 | 6 | ILE | H | H | 9.112 | 0.001 | 1 |
47 | 1 | 6 | ILE | HA | H | 4.296 | 0.002 | 1 |
48 | 1 | 6 | ILE | HB | H | 1.982 | 0.002 | 1 |
49 | 1 | 6 | ILE | HG12 | H | 1.413 | 0.000 | 2 |
50 | 1 | 6 | ILE | HG13 | H | 1.089 | 0.002 | 2 |
51 | 1 | 6 | ILE | HG21 | H | 0.807 | 0.001 | 1 |
52 | 1 | 6 | ILE | HG22 | H | 0.807 | 0.001 | 1 |
53 | 1 | 6 | ILE | HG23 | H | 0.807 | 0.001 | 1 |
54 | 1 | 6 | ILE | HD11 | H | 0.778 | 0.001 | 1 |
55 | 1 | 6 | ILE | HD12 | H | 0.778 | 0.001 | 1 |
56 | 1 | 6 | ILE | HD13 | H | 0.778 | 0.001 | 1 |
57 | 1 | 7 | LEU | H | H | 8.734 | 0.000 | 1 |
58 | 1 | 7 | LEU | HA | H | 4.481 | 0.001 | 1 |
59 | 1 | 7 | LEU | HB2 | H | 1.407 | 0.001 | 1 |
60 | 1 | 7 | LEU | HB3 | H | 1.407 | 0.001 | 1 |
61 | 1 | 7 | LEU | HG | H | 1.314 | 0.002 | 1 |
62 | 1 | 7 | LEU | HD11 | H | 0.746 | 0.000 | 1 |
63 | 1 | 7 | LEU | HD12 | H | 0.746 | 0.000 | 1 |
64 | 1 | 7 | LEU | HD13 | H | 0.746 | 0.000 | 1 |
65 | 1 | 7 | LEU | HD21 | H | 0.746 | 0.000 | 1 |
66 | 1 | 7 | LEU | HD22 | H | 0.746 | 0.000 | 1 |
67 | 1 | 7 | LEU | HD23 | H | 0.746 | 0.000 | 1 |
68 | 1 | 8 | ASN | H | H | 9.019 | 0.001 | 1 |
69 | 1 | 8 | ASN | HA | H | 5.281 | 0.002 | 1 |
70 | 1 | 8 | ASN | HB2 | H | 3.001 | 0.002 | 2 |
71 | 1 | 8 | ASN | HB3 | H | 2.566 | 0.002 | 2 |
72 | 1 | 8 | ASN | HD21 | H | 6.790 | 0.000 | 2 |
73 | 1 | 8 | ASN | HD22 | H | 7.190 | 0.000 | 2 |
74 | 1 | 9 | GLY | H | H | 7.978 | 0.001 | 1 |
75 | 1 | 9 | GLY | HA2 | H | 4.386 | 0.001 | 2 |
76 | 1 | 9 | GLY | HA3 | H | 3.992 | 0.000 | 2 |
77 | 1 | 10 | LYS | H | H | 9.495 | 0.000 | 1 |
78 | 1 | 10 | LYS | HA | H | 4.063 | 0.001 | 1 |
79 | 1 | 10 | LYS | HB2 | H | 1.832 | 0.000 | 1 |
80 | 1 | 10 | LYS | HB3 | H | 1.832 | 0.000 | 1 |
81 | 1 | 10 | LYS | HG2 | H | 1.483 | 0.000 | 1 |
82 | 1 | 10 | LYS | HG3 | H | 1.483 | 0.000 | 1 |
83 | 1 | 10 | LYS | HD2 | H | 1.684 | 0.000 | 1 |
84 | 1 | 10 | LYS | HD3 | H | 1.684 | 0.000 | 1 |
85 | 1 | 10 | LYS | HE2 | H | 2.992 | 0.000 | 1 |
86 | 1 | 10 | LYS | HE3 | H | 2.992 | 0.000 | 1 |
87 | 1 | 11 | THR | H | H | 8.826 | 0.001 | 1 |
88 | 1 | 11 | THR | HA | H | 4.379 | 0.001 | 1 |
89 | 1 | 11 | THR | HB | H | 4.232 | 0.000 | 1 |
90 | 1 | 11 | THR | HG21 | H | 1.144 | 0.001 | 1 |
91 | 1 | 11 | THR | HG22 | H | 1.144 | 0.001 | 1 |
92 | 1 | 11 | THR | HG23 | H | 1.144 | 0.001 | 1 |
93 | 1 | 12 | LEU | H | H | 7.416 | 0.001 | 1 |
94 | 1 | 12 | LEU | HA | H | 4.463 | 0.002 | 1 |
95 | 1 | 12 | LEU | HB2 | H | 1.598 | 0.002 | 2 |
96 | 1 | 12 | LEU | HB3 | H | 1.410 | 0.004 | 2 |
97 | 1 | 12 | LEU | HG | H | 1.399 | 0.000 | 1 |
98 | 1 | 12 | LEU | HD11 | H | 0.792 | 0.001 | 2 |
99 | 1 | 12 | LEU | HD12 | H | 0.792 | 0.001 | 2 |
100 | 1 | 12 | LEU | HD13 | H | 0.792 | 0.001 | 2 |
101 | 1 | 12 | LEU | HD21 | H | 0.890 | 0.001 | 2 |
102 | 1 | 12 | LEU | HD22 | H | 0.890 | 0.001 | 2 |
103 | 1 | 12 | LEU | HD23 | H | 0.890 | 0.001 | 2 |
104 | 1 | 13 | LYS | H | H | 8.123 | 0.002 | 1 |
105 | 1 | 13 | LYS | HA | H | 5.150 | 0.002 | 1 |
106 | 1 | 13 | LYS | HB2 | H | 1.893 | 0.001 | 2 |
107 | 1 | 13 | LYS | HB3 | H | 1.732 | 0.008 | 2 |
108 | 1 | 13 | LYS | HG2 | H | 1.460 | 0.000 | 2 |
109 | 1 | 13 | LYS | HG3 | H | 1.407 | 0.000 | 2 |
110 | 1 | 13 | LYS | HD2 | H | 1.682 | 0.000 | 1 |
111 | 1 | 13 | LYS | HD3 | H | 1.682 | 0.000 | 1 |
112 | 1 | 13 | LYS | HE2 | H | 3.021 | 0.001 | 2 |
113 | 1 | 13 | LYS | HE3 | H | 2.932 | 0.004 | 2 |
114 | 1 | 14 | GLY | H | H | 8.475 | 0.000 | 1 |
115 | 1 | 14 | GLY | HA2 | H | 4.224 | 0.000 | 1 |
116 | 1 | 14 | GLY | HA3 | H | 4.224 | 0.000 | 1 |
117 | 1 | 15 | GLU | H | H | 8.404 | 0.001 | 1 |
118 | 1 | 15 | GLU | HA | H | 5.599 | 0.002 | 1 |
119 | 1 | 15 | GLU | HB2 | H | 2.018 | 0.003 | 2 |
120 | 1 | 15 | GLU | HB3 | H | 1.931 | 0.002 | 2 |
121 | 1 | 15 | GLU | HG2 | H | 2.147 | 0.000 | 1 |
122 | 1 | 15 | GLU | HG3 | H | 2.147 | 0.000 | 1 |
123 | 1 | 16 | THR | H | H | 8.788 | 0.002 | 1 |
124 | 1 | 16 | THR | HA | H | 4.751 | 0.000 | 1 |
125 | 1 | 16 | THR | HB | H | 3.938 | 0.002 | 1 |
126 | 1 | 16 | THR | HG21 | H | 0.511 | 0.001 | 1 |
127 | 1 | 16 | THR | HG22 | H | 0.511 | 0.001 | 1 |
128 | 1 | 16 | THR | HG23 | H | 0.511 | 0.001 | 1 |
129 | 1 | 17 | THR | H | H | 8.107 | 0.001 | 1 |
130 | 1 | 17 | THR | HA | H | 5.824 | 0.001 | 1 |
131 | 1 | 17 | THR | HB | H | 4.313 | 0.000 | 1 |
132 | 1 | 17 | THR | HG21 | H | 1.197 | 0.002 | 1 |
133 | 1 | 17 | THR | HG22 | H | 1.197 | 0.002 | 1 |
134 | 1 | 17 | THR | HG23 | H | 1.197 | 0.002 | 1 |
135 | 1 | 18 | THR | H | H | 8.985 | 0.001 | 1 |
136 | 1 | 18 | THR | HA | H | 4.669 | 0.001 | 1 |
137 | 1 | 18 | THR | HB | H | 3.841 | 0.001 | 1 |
138 | 1 | 18 | THR | HG21 | H | 0.477 | 0.001 | 1 |
139 | 1 | 18 | THR | HG22 | H | 0.477 | 0.001 | 1 |
140 | 1 | 18 | THR | HG23 | H | 0.477 | 0.001 | 1 |
141 | 1 | 19 | GLU | H | H | 7.954 | 0.001 | 1 |
142 | 1 | 19 | GLU | HA | H | 5.182 | 0.001 | 1 |
143 | 1 | 19 | GLU | HB2 | H | 1.944 | 0.002 | 1 |
144 | 1 | 19 | GLU | HB3 | H | 1.944 | 0.002 | 1 |
145 | 1 | 19 | GLU | HG2 | H | 2.292 | 0.005 | 2 |
146 | 1 | 19 | GLU | HG3 | H | 2.059 | 0.001 | 2 |
147 | 1 | 20 | ALA | H | H | 9.347 | 0.001 | 1 |
148 | 1 | 20 | ALA | HA | H | 4.942 | 0.001 | 1 |
149 | 1 | 20 | ALA | HB1 | H | 1.343 | 0.002 | 1 |
150 | 1 | 20 | ALA | HB2 | H | 1.343 | 0.002 | 1 |
151 | 1 | 20 | ALA | HB3 | H | 1.343 | 0.002 | 1 |
152 | 1 | 21 | VAL | H | H | 8.495 | 0.000 | 1 |
153 | 1 | 21 | VAL | HA | H | 4.120 | 0.001 | 1 |
154 | 1 | 21 | VAL | HB | H | 2.200 | 0.001 | 1 |
155 | 1 | 21 | VAL | HG11 | H | 1.009 | 0.001 | 1 |
156 | 1 | 21 | VAL | HG12 | H | 1.009 | 0.001 | 1 |
157 | 1 | 21 | VAL | HG13 | H | 1.009 | 0.001 | 1 |
158 | 1 | 21 | VAL | HG21 | H | 1.009 | 0.001 | 1 |
159 | 1 | 21 | VAL | HG22 | H | 1.009 | 0.001 | 1 |
160 | 1 | 21 | VAL | HG23 | H | 1.009 | 0.001 | 1 |
161 | 1 | 22 | ASP | H | H | 7.343 | 0.000 | 1 |
162 | 1 | 22 | ASP | HA | H | 4.762 | 0.002 | 1 |
163 | 1 | 22 | ASP | HB2 | H | 3.038 | 0.001 | 2 |
164 | 1 | 22 | ASP | HB3 | H | 2.990 | 0.002 | 2 |
165 | 1 | 23 | ALA | H | H | 8.291 | 0.000 | 1 |
166 | 1 | 23 | ALA | HA | H | 3.319 | 0.001 | 1 |
167 | 1 | 23 | ALA | HB1 | H | 1.180 | 0.001 | 1 |
168 | 1 | 23 | ALA | HB2 | H | 1.180 | 0.001 | 1 |
169 | 1 | 23 | ALA | HB3 | H | 1.180 | 0.001 | 1 |
170 | 1 | 24 | ALA | H | H | 8.059 | 0.000 | 1 |
171 | 1 | 24 | ALA | HA | H | 3.978 | 0.000 | 1 |
172 | 1 | 24 | ALA | HB1 | H | 1.298 | 0.001 | 1 |
173 | 1 | 24 | ALA | HB2 | H | 1.298 | 0.001 | 1 |
174 | 1 | 24 | ALA | HB3 | H | 1.298 | 0.001 | 1 |
175 | 1 | 25 | THR | H | H | 8.287 | 0.000 | 1 |
176 | 1 | 25 | THR | HA | H | 3.710 | 0.003 | 1 |
177 | 1 | 25 | THR | HB | H | 4.029 | 0.001 | 1 |
178 | 1 | 25 | THR | HG21 | H | 1.232 | 0.002 | 1 |
179 | 1 | 25 | THR | HG22 | H | 1.232 | 0.002 | 1 |
180 | 1 | 25 | THR | HG23 | H | 1.232 | 0.002 | 1 |
181 | 1 | 26 | ALA | H | H | 7.173 | 0.002 | 1 |
182 | 1 | 26 | ALA | HA | H | 3.102 | 0.001 | 1 |
183 | 1 | 26 | ALA | HB1 | H | 0.542 | 0.000 | 1 |
184 | 1 | 26 | ALA | HB2 | H | 0.542 | 0.000 | 1 |
185 | 1 | 26 | ALA | HB3 | H | 0.542 | 0.000 | 1 |
186 | 1 | 27 | GLU | H | H | 8.357 | 0.000 | 1 |
187 | 1 | 27 | GLU | HA | H | 2.679 | 0.000 | 1 |
188 | 1 | 27 | GLU | HB2 | H | 1.969 | 0.000 | 2 |
189 | 1 | 27 | GLU | HB3 | H | 1.848 | 0.001 | 2 |
190 | 1 | 27 | GLU | HG2 | H | 1.638 | 0.000 | 1 |
191 | 1 | 27 | GLU | HG3 | H | 1.638 | 0.000 | 1 |
192 | 1 | 28 | LYS | H | H | 6.950 | 0.000 | 1 |
193 | 1 | 28 | LYS | HA | H | 3.743 | 0.002 | 1 |
194 | 1 | 28 | LYS | HB2 | H | 1.833 | 0.002 | 1 |
195 | 1 | 28 | LYS | HB3 | H | 1.833 | 0.002 | 1 |
196 | 1 | 28 | LYS | HG2 | H | 1.528 | 0.000 | 2 |
197 | 1 | 28 | LYS | HG3 | H | 1.337 | 0.001 | 2 |
198 | 1 | 28 | LYS | HD2 | H | 1.611 | 0.001 | 1 |
199 | 1 | 28 | LYS | HD3 | H | 1.611 | 0.001 | 1 |
200 | 1 | 28 | LYS | HE2 | H | 2.897 | 0.001 | 1 |
201 | 1 | 28 | LYS | HE3 | H | 2.897 | 0.001 | 1 |
202 | 1 | 29 | VAL | H | H | 7.316 | 0.000 | 1 |
203 | 1 | 29 | VAL | HA | H | 3.616 | 0.001 | 1 |
204 | 1 | 29 | VAL | HB | H | 1.758 | 0.001 | 1 |
205 | 1 | 29 | VAL | HG11 | H | 0.795 | 0.000 | 2 |
206 | 1 | 29 | VAL | HG12 | H | 0.795 | 0.000 | 2 |
207 | 1 | 29 | VAL | HG13 | H | 0.795 | 0.000 | 2 |
208 | 1 | 29 | VAL | HG21 | H | 0.908 | 0.001 | 2 |
209 | 1 | 29 | VAL | HG22 | H | 0.908 | 0.001 | 2 |
210 | 1 | 29 | VAL | HG23 | H | 0.908 | 0.001 | 2 |
211 | 1 | 30 | PHE | H | H | 8.512 | 0.002 | 1 |
212 | 1 | 30 | PHE | HA | H | 4.769 | 0.000 | 1 |
213 | 1 | 30 | PHE | HB2 | H | 3.357 | 0.002 | 2 |
214 | 1 | 30 | PHE | HB3 | H | 2.869 | 0.001 | 2 |
215 | 1 | 30 | PHE | HD1 | H | 6.551 | 0.000 | 3 |
216 | 1 | 30 | PHE | HD2 | H | 6.579 | 0.001 | 3 |
217 | 1 | 30 | PHE | HE1 | H | 7.083 | 0.003 | 1 |
218 | 1 | 30 | PHE | HE2 | H | 7.083 | 0.003 | 1 |
219 | 1 | 30 | PHE | HZ | H | 7.197 | 0.001 | 1 |
220 | 1 | 31 | LYS | H | H | 9.116 | 0.000 | 1 |
221 | 1 | 31 | LYS | HA | H | 4.107 | 0.001 | 1 |
222 | 1 | 31 | LYS | HB2 | H | 1.591 | 0.002 | 2 |
223 | 1 | 31 | LYS | HB3 | H | 1.563 | 0.001 | 2 |
224 | 1 | 31 | LYS | HG2 | H | 0.860 | 0.000 | 2 |
225 | 1 | 31 | LYS | HG3 | H | 0.518 | 0.002 | 2 |
226 | 1 | 31 | LYS | HD2 | H | 1.175 | 0.005 | 2 |
227 | 1 | 31 | LYS | HD3 | H | 1.021 | 0.004 | 2 |
228 | 1 | 31 | LYS | HE2 | H | 2.090 | 0.003 | 2 |
229 | 1 | 31 | LYS | HE3 | H | 1.731 | 0.003 | 2 |
230 | 1 | 32 | GLN | H | H | 7.391 | 0.000 | 1 |
231 | 1 | 32 | GLN | HA | H | 4.005 | 0.001 | 1 |
232 | 1 | 32 | GLN | HB2 | H | 2.221 | 0.000 | 2 |
233 | 1 | 32 | GLN | HB3 | H | 2.189 | 0.000 | 2 |
234 | 1 | 32 | GLN | HG2 | H | 2.446 | 0.006 | 2 |
235 | 1 | 32 | GLN | HG3 | H | 2.402 | 0.003 | 2 |
236 | 1 | 32 | GLN | HE21 | H | 6.868 | 0.000 | 2 |
237 | 1 | 32 | GLN | HE22 | H | 7.941 | 0.000 | 2 |
238 | 1 | 33 | TYR | H | H | 8.093 | 0.000 | 1 |
239 | 1 | 33 | TYR | HA | H | 4.263 | 0.001 | 1 |
240 | 1 | 33 | TYR | HB2 | H | 3.300 | 0.001 | 1 |
241 | 1 | 33 | TYR | HB3 | H | 3.300 | 0.001 | 1 |
242 | 1 | 33 | TYR | HD1 | H | 6.988 | 0.000 | 1 |
243 | 1 | 33 | TYR | HD2 | H | 6.988 | 0.000 | 1 |
244 | 1 | 33 | TYR | HE1 | H | 6.725 | 0.000 | 1 |
245 | 1 | 33 | TYR | HE2 | H | 6.725 | 0.000 | 1 |
246 | 1 | 34 | ALA | H | H | 9.181 | 0.000 | 1 |
247 | 1 | 34 | ALA | HA | H | 3.721 | 0.000 | 1 |
248 | 1 | 34 | ALA | HB1 | H | 1.731 | 0.000 | 1 |
249 | 1 | 34 | ALA | HB2 | H | 1.731 | 0.000 | 1 |
250 | 1 | 34 | ALA | HB3 | H | 1.731 | 0.000 | 1 |
251 | 1 | 35 | ASN | H | H | 8.624 | 0.001 | 1 |
252 | 1 | 35 | ASN | HA | H | 4.580 | 0.001 | 1 |
253 | 1 | 35 | ASN | HB2 | H | 2.931 | 0.001 | 2 |
254 | 1 | 35 | ASN | HB3 | H | 2.909 | 0.000 | 2 |
255 | 1 | 35 | ASN | HD21 | H | 6.778 | 0.000 | 2 |
256 | 1 | 35 | ASN | HD22 | H | 8.082 | 0.000 | 2 |
257 | 1 | 36 | ASP | H | H | 8.948 | 0.000 | 1 |
258 | 1 | 36 | ASP | HA | H | 4.400 | 0.001 | 1 |
259 | 1 | 36 | ASP | HB2 | H | 2.774 | 0.002 | 2 |
260 | 1 | 36 | ASP | HB3 | H | 2.574 | 0.002 | 2 |
261 | 1 | 37 | ASN | H | H | 7.421 | 0.000 | 1 |
262 | 1 | 37 | ASN | HA | H | 4.649 | 0.002 | 1 |
263 | 1 | 37 | ASN | HB2 | H | 2.784 | 0.001 | 2 |
264 | 1 | 37 | ASN | HB3 | H | 2.146 | 0.000 | 2 |
265 | 1 | 37 | ASN | HD21 | H | 6.368 | 0.000 | 2 |
266 | 1 | 37 | ASN | HD22 | H | 6.800 | 0.000 | 2 |
267 | 1 | 38 | GLY | H | H | 7.749 | 0.001 | 1 |
268 | 1 | 38 | GLY | HA2 | H | 4.037 | 0.001 | 2 |
269 | 1 | 38 | GLY | HA3 | H | 3.858 | 0.000 | 2 |
270 | 1 | 39 | VAL | H | H | 8.194 | 0.000 | 1 |
271 | 1 | 39 | VAL | HA | H | 4.128 | 0.002 | 1 |
272 | 1 | 39 | VAL | HB | H | 1.720 | 0.003 | 1 |
273 | 1 | 39 | VAL | HG11 | H | 0.817 | 0.001 | 2 |
274 | 1 | 39 | VAL | HG12 | H | 0.817 | 0.001 | 2 |
275 | 1 | 39 | VAL | HG13 | H | 0.817 | 0.001 | 2 |
276 | 1 | 39 | VAL | HG21 | H | 0.856 | 0.001 | 2 |
277 | 1 | 39 | VAL | HG22 | H | 0.856 | 0.001 | 2 |
278 | 1 | 39 | VAL | HG23 | H | 0.856 | 0.001 | 2 |
279 | 1 | 40 | IAS | H | H | 8.678 | 0.001 | 1 |
280 | 1 | 40 | IAS | HA | H | 4.132 | 0.001 | 1 |
281 | 1 | 40 | IAS | HB2 | H | 3.145 | 0.003 | 2 |
282 | 1 | 40 | IAS | HB3 | H | 3.009 | 0.002 | 2 |
283 | 1 | 41 | GLY | H | H | 8.989 | 0.001 | 1 |
284 | 1 | 41 | GLY | HA2 | H | 4.574 | 0.002 | 2 |
285 | 1 | 41 | GLY | HA3 | H | 3.242 | 0.000 | 2 |
286 | 1 | 42 | GLU | H | H | 8.483 | 0.001 | 1 |
287 | 1 | 42 | GLU | HA | H | 4.798 | 0.003 | 1 |
288 | 1 | 42 | GLU | HB2 | H | 2.058 | 0.001 | 2 |
289 | 1 | 42 | GLU | HB3 | H | 1.961 | 0.002 | 2 |
290 | 1 | 42 | GLU | HG2 | H | 2.324 | 0.002 | 2 |
291 | 1 | 42 | GLU | HG3 | H | 2.216 | 0.001 | 2 |
292 | 1 | 43 | TRP | H | H | 9.346 | 0.001 | 1 |
293 | 1 | 43 | TRP | HA | H | 5.258 | 0.000 | 1 |
294 | 1 | 43 | TRP | HB2 | H | 3.360 | 0.000 | 2 |
295 | 1 | 43 | TRP | HB3 | H | 3.150 | 0.000 | 2 |
296 | 1 | 43 | TRP | HD1 | H | 7.414 | 0.000 | 1 |
297 | 1 | 43 | TRP | HE1 | H | 11.310 | 0.000 | 1 |
298 | 1 | 43 | TRP | HE3 | H | 7.624 | 0.001 | 1 |
299 | 1 | 43 | TRP | HZ2 | H | 7.305 | 0.002 | 1 |
300 | 1 | 43 | TRP | HZ3 | H | 6.596 | 0.000 | 1 |
301 | 1 | 43 | TRP | HH2 | H | 6.714 | 0.002 | 1 |
302 | 1 | 44 | THR | H | H | 9.282 | 0.001 | 1 |
303 | 1 | 44 | THR | HA | H | 4.827 | 0.001 | 1 |
304 | 1 | 44 | THR | HB | H | 4.234 | 0.000 | 1 |
305 | 1 | 44 | THR | HG21 | H | 1.204 | 0.001 | 1 |
306 | 1 | 44 | THR | HG22 | H | 1.204 | 0.001 | 1 |
307 | 1 | 44 | THR | HG23 | H | 1.204 | 0.001 | 1 |
308 | 1 | 45 | TYR | H | H | 8.576 | 0.000 | 1 |
309 | 1 | 45 | TYR | HA | H | 4.974 | 0.000 | 1 |
310 | 1 | 45 | TYR | HB2 | H | 2.909 | 0.001 | 2 |
311 | 1 | 45 | TYR | HB3 | H | 2.517 | 0.002 | 2 |
312 | 1 | 45 | TYR | HD1 | H | 7.157 | 0.000 | 1 |
313 | 1 | 45 | TYR | HD2 | H | 7.157 | 0.000 | 1 |
314 | 1 | 45 | TYR | HE1 | H | 6.363 | 0.000 | 1 |
315 | 1 | 45 | TYR | HE2 | H | 6.363 | 0.000 | 1 |
316 | 1 | 46 | ASP | H | H | 7.602 | 0.001 | 1 |
317 | 1 | 46 | ASP | HA | H | 4.596 | 0.000 | 1 |
318 | 1 | 46 | ASP | HB2 | H | 2.618 | 0.001 | 2 |
319 | 1 | 46 | ASP | HB3 | H | 2.272 | 0.002 | 2 |
320 | 1 | 47 | ASP | H | H | 8.595 | 0.002 | 1 |
321 | 1 | 47 | ASP | HA | H | 4.165 | 0.002 | 1 |
322 | 1 | 47 | ASP | HB2 | H | 2.845 | 0.000 | 2 |
323 | 1 | 47 | ASP | HB3 | H | 2.532 | 0.002 | 2 |
324 | 1 | 48 | ALA | H | H | 8.354 | 0.000 | 1 |
325 | 1 | 48 | ALA | HA | H | 4.124 | 0.000 | 1 |
326 | 1 | 48 | ALA | HB1 | H | 1.514 | 0.000 | 1 |
327 | 1 | 48 | ALA | HB2 | H | 1.514 | 0.000 | 1 |
328 | 1 | 48 | ALA | HB3 | H | 1.514 | 0.000 | 1 |
329 | 1 | 49 | THR | H | H | 7.020 | 0.000 | 1 |
330 | 1 | 49 | THR | HA | H | 4.410 | 0.000 | 1 |
331 | 1 | 49 | THR | HB | H | 4.412 | 0.000 | 1 |
332 | 1 | 49 | THR | HG21 | H | 1.087 | 0.000 | 1 |
333 | 1 | 49 | THR | HG22 | H | 1.087 | 0.000 | 1 |
334 | 1 | 49 | THR | HG23 | H | 1.087 | 0.000 | 1 |
335 | 1 | 50 | LYS | H | H | 7.876 | 0.002 | 1 |
336 | 1 | 50 | LYS | HA | H | 4.215 | 0.002 | 1 |
337 | 1 | 50 | LYS | HB2 | H | 2.087 | 0.004 | 2 |
338 | 1 | 50 | LYS | HB3 | H | 2.016 | 0.005 | 2 |
339 | 1 | 50 | LYS | HG2 | H | 1.395 | 0.000 | 2 |
340 | 1 | 50 | LYS | HG3 | H | 1.234 | 0.002 | 2 |
341 | 1 | 50 | LYS | HD2 | H | 1.708 | 0.002 | 2 |
342 | 1 | 50 | LYS | HD3 | H | 1.415 | 0.003 | 2 |
343 | 1 | 50 | LYS | HE2 | H | 3.099 | 0.002 | 2 |
344 | 1 | 50 | LYS | HE3 | H | 2.975 | 0.003 | 2 |
345 | 1 | 51 | THR | H | H | 7.394 | 0.000 | 1 |
346 | 1 | 51 | THR | HA | H | 5.518 | 0.001 | 1 |
347 | 1 | 51 | THR | HB | H | 3.778 | 0.001 | 1 |
348 | 1 | 51 | THR | HG21 | H | 1.000 | 0.001 | 1 |
349 | 1 | 51 | THR | HG22 | H | 1.000 | 0.001 | 1 |
350 | 1 | 51 | THR | HG23 | H | 1.000 | 0.001 | 1 |
351 | 1 | 52 | PHE | H | H | 10.372 | 0.002 | 1 |
352 | 1 | 52 | PHE | HA | H | 5.657 | 0.002 | 1 |
353 | 1 | 52 | PHE | HB2 | H | 3.272 | 0.001 | 2 |
354 | 1 | 52 | PHE | HB3 | H | 3.196 | 0.001 | 2 |
355 | 1 | 52 | PHE | HD1 | H | 7.825 | 0.000 | 1 |
356 | 1 | 52 | PHE | HD2 | H | 7.825 | 0.000 | 1 |
357 | 1 | 52 | PHE | HE1 | H | 7.163 | 0.000 | 1 |
358 | 1 | 52 | PHE | HE2 | H | 7.163 | 0.000 | 1 |
359 | 1 | 52 | PHE | HZ | H | 7.005 | 0.001 | 1 |
360 | 1 | 53 | THR | H | H | 9.100 | 0.000 | 1 |
361 | 1 | 53 | THR | HA | H | 5.194 | 0.002 | 1 |
362 | 1 | 53 | THR | HB | H | 3.831 | 0.000 | 1 |
363 | 1 | 53 | THR | HG21 | H | 0.983 | 0.001 | 1 |
364 | 1 | 53 | THR | HG22 | H | 0.983 | 0.001 | 1 |
365 | 1 | 53 | THR | HG23 | H | 0.983 | 0.001 | 1 |
366 | 1 | 54 | VAL | H | H | 8.300 | 0.001 | 1 |
367 | 1 | 54 | VAL | HA | H | 4.599 | 0.001 | 1 |
368 | 1 | 54 | VAL | HB | H | -0.144 | 0.002 | 1 |
369 | 1 | 54 | VAL | HG11 | H | -0.258 | 0.002 | 2 |
370 | 1 | 54 | VAL | HG12 | H | -0.258 | 0.002 | 2 |
371 | 1 | 54 | VAL | HG13 | H | -0.258 | 0.002 | 2 |
372 | 1 | 54 | VAL | HG21 | H | 0.406 | 0.001 | 2 |
373 | 1 | 54 | VAL | HG22 | H | 0.406 | 0.001 | 2 |
374 | 1 | 54 | VAL | HG23 | H | 0.406 | 0.001 | 2 |
375 | 1 | 55 | THR | H | H | 8.381 | 0.001 | 1 |
376 | 1 | 55 | THR | HA | H | 4.739 | 0.002 | 1 |
377 | 1 | 55 | THR | HB | H | 3.907 | 0.001 | 1 |
378 | 1 | 55 | THR | HG21 | H | 1.261 | 0.001 | 1 |
379 | 1 | 55 | THR | HG22 | H | 1.261 | 0.001 | 1 |
380 | 1 | 55 | THR | HG23 | H | 1.261 | 0.001 | 1 |
381 | 1 | 56 | GLU | H | H | 7.812 | 0.000 | 1 |
382 | 1 | 56 | GLU | HA | H | 4.335 | 0.001 | 1 |
383 | 1 | 56 | GLU | HB2 | H | 2.206 | 0.000 | 2 |
384 | 1 | 56 | GLU | HB3 | H | 1.921 | 0.000 | 2 |
385 | 1 | 56 | GLU | HG2 | H | 2.259 | 0.000 | 1 |
386 | 1 | 56 | GLU | HG3 | H | 2.259 | 0.000 | 1 |