Structural statistics:
str target upper limits van der Waals torsion angles
function # sum max # sum max # sum max
1 5.15E+05 63012071.4108.27 0 0.5 0.09 111 6909.0163.71
2 2.97E+05 62610333.6 62.17 0 0.4 0.10 114 7552.2166.90
3 4.62E+05 63112486.7 79.21 0 0.8 0.09 116 7442.6165.54
4 5.75E+05 61913444.1 95.39 0 0.4 0.08 113 7177.6167.51
5 4.96E+05 64211715.8 99.87 0 0.8 0.09 123 8546.7166.98
6 3.13E+05 61510251.3 56.82 0 0.8 0.09 115 7564.1165.23
7 3.58E+05 62110348.2 79.66 0 0.8 0.14 119 7958.8167.04
8 6.20E+05 63113230.5101.99 0 0.6 0.10 110 6087.4161.56
9 7.77E+05 60613944.0126.38 0 0.6 0.11 113 7460.8167.40
10 4.85E+05 62412246.1 89.58 0 0.5 0.08 110 7934.2165.13
11 7.53E+05 62415422.2 99.02 0 1.1 0.14 121 8302.7166.87
12 5.97E+05 63413203.7101.94 0 0.7 0.08 114 7072.0168.88
13 2.16E+05 635 8662.4 58.03 0 0.6 0.10 115 7124.8166.57
14 7.05E+05 63114196.9114.91 0 0.8 0.11 109 6481.5166.05
15 9.20E+05 65116024.8128.73 0 0.8 0.11 115 7581.5159.65
16 4.22E+05 64111952.4 74.49 0 0.5 0.09 109 6519.9168.34
17 7.39E+05 63414897.8111.06 0 0.9 0.11 116 7459.3158.36
18 6.31E+05 64113935.8 95.11 0 1.0 0.08 105 6882.4165.54
19 5.28E+05 62912401.3 99.08 0 1.1 0.15 116 7609.2166.57
20 6.25E+05 64513941.9100.21 0 0.6 0.10 114 6860.8166.57
Ave 5.52E+05 63112735.5 94.10 0 0.7 0.10 114 7326.4165.52
+/- 1.75E+05 10 1829.1 19.94 0 0.2 0.02 4 597.0 2.68
Min 2.16E+05 606 8662.4 56.82 0 0.4 0.08 105 6087.4158.36
Max 9.20E+05 65116024.8128.73 0 1.1 0.15 123 8546.7168.88
Constraints violated in 1 or more structures:
Cutoffs: Upper distance limits : 0.10 A
Lower distance limits : 0.20 A
Angle constraints : 5.00 deg
# mean max. 1 5 10 15 20
Upper HN THR 230 - HB2 GLN 233 3.76 20 5.00 8.28 +++++++++++++++++*++
Upper HN GLN 254 - HB3 GLN 254 3.42 8 0.15 0.63 + * + +++ ++
Upper HB THR 209 - HN LEU 211 4.14 19 1.98 3.37 +++++ +++++++++++++*
Upper HN THR 230 - HB3 GLN 233 3.76 20 5.70 8.46 ++++++++++*+++++++++
Upper HN ILE 224 - HB ILE 224 3.08 9 0.27 0.86 ++ + ++ + *++
Upper HB VAL 249 - HN LYS+ 250 3.33 18 0.85 1.36 +++*++ ++++++++++ ++
Upper HB VAL 151 - HN ASP- 152 3.42 18 0.97 1.27 ++* + ++++++++++++++
Upper HB2 GLU- 190 - HN LYS+ 191 3.61 17 0.42 0.82 +++*+ ++++ ++++++++
Upper HB3 GLU- 190 - HN LYS+ 191 3.61 6 0.15 0.82 + + * + + +
Upper HN VAL 154 - HB VAL 154 3.08 7 0.13 0.63 +++ + *+ +
Upper HA SER 242 - HB3 LEU 245 3.89 20 4.77 8.16 +++++++++++*++++++++
Upper HA1 GLY 188 - HB2 LEU 189 5.64 1 0.01 0.11 *
Upper HB2 LEU 164 - HN LYS+ 165 4.04 1 0.01 0.12 *
Upper HA LEU 245 - HB ILE 246 4.42 12 0.59 2.22 + ++ + ++ +* ++++
Upper HA MET 238 - HB3 ASN 241 4.42 19 5.68 8.06 ++++++*+++++ +++++++
Upper HA MET 238 - HB2 ASN 241 4.42 19 5.04 7.55 ++++++++++++ +*+++++
Upper HN ASN 241 - HB3 ASN 241 3.48 2 0.02 0.25 + *
Upper HN ASN 241 - HB2 ASN 241 3.48 1 0.02 0.23 *
Upper HA GLN 233 - HB3 ASP- 236 3.58 20 5.34 9.39 *+++++++++++++++++++
Upper HB2 ASP- 236 - HN MET 237 3.67 2 0.05 0.85 + *
Upper HN ASP- 236 - HB2 ASP- 236 3.33 1 0.01 0.15 *
Upper HN ILE 138 - HB ILE 138 2.90 1 0.01 0.17 *
Upper HB ILE 136 - HN SER 137 3.21 20 1.19 1.44 ++++++++++++*+++++++
Upper HA VAL 234 - HB3 MET 237 4.26 19 4.73 7.83 ++++++*+++++++++ +++
Upper HN MET 237 - HB3 MET 237 3.64 3 0.02 0.14 + + *
Upper HB3 MET 237 - HN MET 238 3.98 2 0.01 0.13 * +
Upper HN LYS+ 191 - HB3 LYS+ 191 3.36 4 0.07 0.67 + * + +
Upper HB3 LYS+ 191 - HN GLN 192 4.01 2 0.01 0.14 + *
Upper HB2 LYS+ 191 - HN GLN 192 4.01 2 0.01 0.14 * +
Upper HB2 ARG+ 177 - HN ASP- 178 3.83 10 0.23 0.70 +++ ++ +*+ ++
Upper HB3 ARG+ 177 - HN ASP- 178 3.83 2 0.03 0.35 +*
Upper HN VAL 184 - HB VAL 184 2.86 12 0.33 0.83 ++ +*+++++ ++ +
Upper HA ARG+ 183 - HB VAL 184 3.73 20 1.30 2.89 +*++++++++++++++++++
Upper HN VAL 214 - HB VAL 214 2.90 7 0.24 1.02 + + + * +++
Upper HB VAL 226 - HN ALA 227 4.48 1 0.01 0.14 *
Upper HA LEU 231 - HB VAL 234 3.55 20 4.87 7.21 ++++++++*+++++++++++
Upper HN VAL 234 - HB VAL 234 3.36 2 0.01 0.16 *+
Upper HB VAL 234 - HN THR 235 3.64 1 0.01 0.14 *
Upper HN GLY 179 - HB THR 180 3.55 19 1.98 4.14 ++ +++++*+++++++++++
Upper HN GLU- 225 - HB2 GLU- 225 3.36 7 0.09 0.16 +*+++ ++
Upper HB3 GLU- 225 - HN ALA 227 3.70 18 1.85 3.24 ++++ +*+++++++ +++++
Upper HB2 GLU- 225 - HN ALA 227 3.70 18 1.07 3.61 +++++++ ++++*++++++
Upper HA HIS+ 158 - HN ARG+ 159 3.21 1 0.01 0.20 *
Upper HA ASP- 178 - HN PHE 196 4.10 20 25.03 33.54 +*++++++++++++++++++
Upper HA PHE 174 - HA LEU 200 3.83 20 33.16 50.77 ++++++++++*+++++++++
Upper HN LEU 211 - HB2 LEU 211 3.86 1 0.01 0.13 *
Upper HA VAL 234 - HB2 MET 237 4.26 19 4.35 6.56 ++++++*+++++++++ +++
Upper HA VAL 234 - HN MET 237 3.73 20 3.24 5.34 ++++++*+++++++++++++
Upper HA VAL 239 - HA SER 242 3.67 20 3.61 5.64 ++++++++++++++++*+++
Upper HA VAL 239 - HN SER 242 4.42 18 1.56 3.12 +++++ +*++++ +++++++
Upper HA GLN 233 - HB2 ASP- 236 3.58 20 5.03 8.13 *+++++++++++++++++++
Upper HA MET 237 - HN VAL 239 3.89 19 1.96 3.15 +++++++++++++++*+++
Upper HA ILE 176 - HA ILE 197 3.58 20 28.49 37.52 ++++++++++++++++*+++
Upper HA ILE 176 - HN ARG+ 177 3.24 5 0.09 0.40 + + + + *
Upper HA ARG+ 160 - HA THR 248 3.61 20 86.80 126.22 ++++++++++++++*+++++
Upper HN VAL 161 - HA THR 248 4.04 20 86.02 125.52 ++++++++++++++*+++++
Upper HA GLU- 220 - HA GLU- 225 3.11 20 9.11 11.56 +++*++++++++++++++++
Upper HA THR 235 - HN ASP- 236 3.45 5 0.05 0.13 + + ++ *
Upper HB THR 235 - HN ASP- 236 4.26 2 0.02 0.24 * +
Upper HA VAL 218 - HA VAL 249 3.73 20 44.38 57.48 ++++++++++++++++*+++
Upper HA VAL 218 - HN GLU- 220 4.17 14 0.84 2.37 ++ +*+++++++++ +
Upper HA LEU 205 - HN SER 208 3.67 20 3.63 6.51 ++++++*+++++++++++++
Upper HA VAL 145 - HN SER 146 2.86 2 0.08 0.78 + *
Upper HA SER 242 - HB2 LEU 245 3.89 19 4.17 7.03 ++++*+++++++++++ +++
Upper QB SER 135 - HN SER 137 4.08 20 1.37 2.16 +++++*++++++++++++++
Upper HA VAL 182 - HA LYS+ 191 3.30 20 14.25 19.40 +++++++*++++++++++++
Upper HA LEU 164 - HN LYS+ 165 2.86 1 0.01 0.28 *
Upper HB3 LEU 164 - HN LYS+ 165 4.04 1 0.01 0.12 *
Upper HA PHE 196 - HA GLU- 217 3.48 20 29.43 41.24 ++++++++++++++*+++++
Upper HA VAL 221 - HA ILE 247 2.99 20 37.33 50.90 ++++++++++++++++*+++
Upper HN VAL 221 - HA GLU- 225 3.33 20 7.60 9.77 +++*++++++++++++++++
Upper HA ASP- 236 - HB VAL 239 3.21 20 6.23 9.16 +++++++++++*++++++++
Upper HA ALA 186 - HN GLY 188 3.42 20 2.03 3.35 ++++++++++*+++++++++
Upper HA VAL 184 - HA LEU 189 2.93 20 7.67 13.79 +++++++++++++*++++++
Upper HA ASP- 178 - HA ILE 195 3.36 20 25.19 32.18 +*++++++++++++++++++
Upper HA ARG+ 162 - HN ILE 247 3.64 20 83.05 120.88 ++++++++++++++*+++++
Upper HA ALA 206 - HN THR 209 4.66 18 2.61 4.37 + ++++++ +++++++*+++
Upper HA LEU 231 - HN VAL 234 3.67 20 3.32 5.36 +++++++++++++++++*++
Upper HB2 PRO 251 - HN ASN 253 4.60 17 1.04 1.98 + ++++++++++*+++ ++
Upper HA VAL 218 - HN LYS+ 250 4.29 20 44.36 58.64 ++++++++++++++++*+++
Upper HN LEU 164 - HA2 GLY 173 4.63 20 11.27 19.11 +++++++++++*++++++++
Upper HN LEU 164 - HA1 GLY 173 4.63 20 11.45 19.13 +++++++++++*++++++++
Upper HB3 LEU 205 - HN ALA 206 3.83 1 0.01 0.13 *
Upper HA GLN 254 - HN ARG+ 255 2.71 12 0.56 0.93 +++++++ +*++ +
Upper QB SER 208 - HA THR 209 4.36 9 0.24 1.22 +++ + ++ + *+
Upper HB ILE 219 - HB THR 248 4.72 20 41.71 58.92 ++++++++++++++++*+++
Upper HB THR 230 - HB2 GLN 233 5.50 17 2.85 5.69 ++ ++ +++++++*+++++
Upper HB THR 230 - HB3 GLN 233 5.50 18 3.34 6.42 ++ +++ +++++++*+++++
Upper HB3 ASN 222 - HB ILE 246 5.50 20 31.16 44.70 ++++++++++++++++*+++
Upper HB2 ASN 222 - HB ILE 246 5.50 20 31.27 45.47 ++++++++++++++++*+++
Upper HB3 LEU 200 - QG GLU- 207 6.38 19 6.41 8.95 +++++ ++++++*+++++++
Upper HG3 GLU- 225 - HN ALA 227 5.44 5 0.41 2.87 +++ +*
Upper HG2 GLU- 225 - HN ALA 227 5.44 16 0.53 1.96 ++++++*+ ++++ + +++
Upper HB2 ASP- 216 - HB VAL 249 5.00 20 44.97 59.23 ++++++++++*+++++++++
Upper HG2 GLU- 220 - HB THR 248 4.85 20 38.68 52.72 ++++++++++++++++*+++
Upper HG2 GLU- 220 - HA GLU- 225 5.31 20 6.83 10.94 ++*+++++++++++++++++
Upper HG3 GLU- 220 - HA GLU- 225 5.31 20 7.03 11.16 +++*++++++++++++++++
Upper HN THR 230 - QG GLN 233 6.38 17 2.50 5.51 + ++++ ++*+++++++++
Upper HN GLU- 217 - HB3 LYS+ 250 5.50 20 45.08 58.87 +++++++*++++++++++++
Upper HN ARG+ 183 - HB2 GLU- 190 5.50 20 10.73 14.52 +++++++++++++++++*++
Upper HN ARG+ 183 - HB3 GLU- 190 5.50 20 10.64 14.25 +++++++++++++*++++++
Upper HN LEU 163 - HB2 LEU 245 5.50 20 77.91 113.46 ++++++++++++++*+++++
Upper HB3 PHE 196 - HA ASN 215 5.50 20 24.38 33.42 +++*++++++++++++++++
Upper HB3 ASP- 216 - HB VAL 249 5.00 20 44.68 58.99 ++++++++++*+++++++++
Upper HG12 ILE 197 - HB3 ASP- 216 7.25 20 23.05 34.77 +++++++++++*++++++++
Upper HG12 ILE 197 - HB2 ASP- 216 7.25 20 22.47 33.10 +++++++++++*++++++++
Upper HB ILE 197 - HA VAL 214 4.94 20 21.71 31.15 +++++++++++*++++++++
Upper HB ILE 197 - HA ASN 215 5.47 20 22.79 31.54 +++++++++++*++++++++
Upper HA LEU 189 - HG2 GLU- 190 5.50 9 0.27 0.87 +++ + + + +*+
Upper HA LEU 189 - HG3 GLU- 190 5.50 10 0.51 1.46 ++* + + ++ + + +
Upper HB3 LYS+ 165 - HN GLY 173 4.26 20 10.84 16.58 +++++++++++*++++++++
Upper HA1 GLY 173 - HB VAL 201 4.72 20 34.45 55.16 ++++++++++*+++++++++
Upper HB3 ARG+ 183 - HN GLU- 190 5.38 20 8.46 15.78 +++++++++++++*++++++
Upper HB2 ARG+ 183 - HN GLU- 190 5.38 20 9.00 16.33 +++++++++++++*++++++
Upper HB VAL 226 - QG LYS+ 229 6.38 16 1.91 4.28 +++ +++++ + ++*++++
Upper HB3 GLU- 156 - HE1 HIS+ 158 5.22 18 3.29 6.80 ++++ ++ *+++++++++++
Upper HB2 GLU- 156 - HE1 HIS+ 158 5.22 17 3.89 7.31 ++++ +* +++++ ++++++
Upper HB THR 180 - HN GLN 192 5.10 20 18.36 25.54 +++++++*++++++++++++
Upper HB THR 180 - QD LYS+ 191 6.28 20 13.12 20.35 +++++++*++++++++++++
Upper HB2 ARG+ 177 - HB2 SER 198 5.50 20 27.76 38.57 ++++++++++*+++++++++
Upper HB3 ARG+ 177 - HB2 SER 198 5.50 20 27.47 38.19 ++++++++++*+++++++++
Upper HB2 ARG+ 177 - HB3 SER 198 5.50 20 28.40 40.20 ++++++++++*+++++++++
Upper HB3 ARG+ 177 - HB3 SER 198 5.50 20 28.11 39.80 ++++++++++*+++++++++
Upper HA2 GLY 173 - HB VAL 201 4.72 20 34.68 56.47 ++++++++++*+++++++++
Upper HA PHE 174 - HB VAL 201 5.50 20 33.35 52.19 ++++++++++*+++++++++
Upper HA1 GLY 179 - QE PHE 196 7.62 20 17.68 28.41 ++++++++++*+++++++++
Upper HA1 GLY 194 - QE PHE 196 7.62 3 0.10 0.80 *+ +
Upper HA ASN 222 - HB ILE 246 3.95 20 32.86 45.08 ++++++++++++++++*+++
Upper HB2 LEU 200 - HB3 GLU- 207 7.22 19 7.12 11.74 +++++ +++*++++++++++
Upper HB2 LEU 200 - QG GLU- 207 6.38 19 6.64 9.72 +++++ ++++++*+++++++
Upper HB3 LEU 200 - HB3 GLU- 207 7.22 19 6.93 10.12 +++++ +++++*++++++++
Upper HB3 LEU 200 - HB2 GLU- 207 7.22 19 6.54 11.12 +++++ +++++*++++++++
Upper HA SER 242 - HG LEU 245 4.04 20 4.69 8.15 ++++++++++++++++++*+
Upper QE PHE 174 - HG LEU 245 6.66 20 65.60 93.27 ++++++++++++++*+++++
Upper HB THR 235 - HG3 MET 238 5.50 15 2.26 5.52 +++++ *+ ++++++ ++
Upper HA VAL 234 - HG2 MET 237 4.85 20 4.51 7.34 ++++++*+++++++++++++
Upper HA VAL 234 - HG3 MET 237 4.85 20 4.74 7.78 ++++++*+++++++++++++
Upper QB SER 181 - HB2 GLN 192 6.38 20 14.00 18.51 ++++*+++++++++++++++
Upper QB SER 181 - QG GLN 192 7.25 20 10.78 15.44 ++++++++++++++++*+++
Upper QB SER 181 - HB3 GLN 192 6.38 20 13.56 19.29 ++++++++++++++++++*+
Upper QB SER 181 - QE PHE 196 8.50 20 12.30 19.77 ++++++++++++++++*+++
Upper QB SER 181 - HN GLN 192 6.38 20 12.31 17.26 ++++++++++++++++++*+
Upper QB GLU- 220 - HA THR 248 6.38 20 32.80 45.71 ++++++++++++++++*+++
Upper HA ILE 219 - HB THR 248 4.66 20 41.36 57.63 ++++++++++++++++*+++
Upper QB GLU- 220 - HB THR 248 5.82 20 33.27 45.24 ++++++++++++++++*+++
Upper HG3 GLU- 220 - HB THR 248 4.85 20 38.86 53.14 ++++++++++++++++*+++
Upper HG13 ILE 219 - HB THR 248 5.10 20 40.99 57.76 ++++++++++++++++*+++
Upper HA VAL 226 - QG LYS+ 229 5.69 19 2.55 4.83 +++ *+++++++++++++++
Upper HG12 ILE 219 - HB THR 248 5.10 20 41.23 58.11 ++++++++++++++++*+++
Upper HA VAL 182 - HG2 LYS+ 191 5.50 19 12.23 16.88 ++++++++ ++*++++++++
Upper HA VAL 182 - HG3 LYS+ 191 5.50 20 11.92 17.22 +++++++++++*++++++++
Upper HA ALA 227 - QG LYS+ 229 6.38 19 1.16 2.24 *+++++ +++++++++++++
Upper HA VAL 226 - QE LYS+ 229 6.38 19 2.69 5.92 ++++*++++++++++++++
Upper HB VAL 226 - HD2 LYS+ 229 5.50 18 3.29 6.38 ++++++*++ +++++++++
Upper HD2 LYS+ 229 - HB2 GLN 233 6.94 20 4.54 8.42 ++++++++++*+++++++++
Upper HA VAL 226 - HD2 LYS+ 229 4.97 20 3.93 7.58 ++++*+++++++++++++++
Upper HA VAL 226 - HD3 LYS+ 229 4.97 20 4.28 6.89 ++*+++++++++++++++++
Upper HB VAL 226 - HD3 LYS+ 229 5.50 18 3.61 6.72 ++*++++++ +++++++++
Upper HD3 LYS+ 229 - HB2 GLN 233 6.94 20 4.88 8.55 +++++++++++++++++++*
Upper QD TYR 175 - HB2 ARG+ 199 7.64 20 23.33 34.46 ++++++++++++++++*+++
Upper QD TYR 175 - HD2 ARG+ 199 7.64 20 23.76 36.37 ++++++++++++++++*+++
Upper QE TYR 175 - HD3 ARG+ 199 7.63 20 24.06 36.71 *+++++++++++++++++++
Upper QD TYR 175 - HD3 ARG+ 199 7.64 20 23.90 35.30 *+++++++++++++++++++
Upper HB THR 209 - HG LEU 211 3.89 19 3.24 5.72 +++*+++++++++++++ ++
Upper HA VAL 182 - QE LYS+ 191 5.35 20 10.21 16.33 +++++++++++*++++++++
Upper HB2 PHE 196 - HA ASN 215 5.50 20 24.38 34.41 +++*++++++++++++++++
Upper QB ASP- 178 - QB LEU 231 7.25 20 48.02 67.60 ++++++++++++++*+++++
Upper HB3 TYR 175 - HN ARG+ 199 5.50 20 28.83 40.36 ++++++++++*+++++++++
Upper HA ILE 138 - HD2 PRO 139 2.52 3 0.16 1.43 * + +
Upper HA ILE 138 - HD3 PRO 139 2.52 2 0.13 1.31 + *
Upper QE PHE 196 - HA GLU- 217 7.62 20 23.00 35.38 ++++++++++++++*+++++
Upper QG LYS+ 229 - HB3 GLN 233 6.38 19 4.36 7.92 +++++++ +++*++++++++
Upper HB THR 230 - QG GLN 233 6.38 15 2.12 5.19 * ++ + +++++++++++
Upper HN GLU- 217 - HB2 LYS+ 250 5.50 20 45.08 58.85 ++++++++++++++++*+++
Upper HD2 PRO 251 - HD22 ASN 253 7.23 17 2.67 6.46 +++++++++ ++ *++++ +
Upper HN ARG+ 159 - HD2 PRO 251 5.50 20 88.11 128.38 ++++++++++++++*+++++
Upper HD3 PRO 251 - HD22 ASN 253 7.23 18 3.26 7.30 +++++++++ ++ *++++++
Upper HN ARG+ 159 - HD3 PRO 251 5.50 20 87.59 128.73 ++++++++++++++*+++++
Upper HA PHE 174 - HG LEU 200 5.50 20 31.87 51.18 ++++++++++*+++++++++
Upper HG LEU 200 - HN ALA 206 5.50 20 5.82 8.82 +++++++*++++++++++++
Upper HA VAL 221 - HB ILE 247 5.50 20 35.31 50.44 ++++++++++++++++*+++
Upper QG LYS+ 229 - HB2 GLN 233 6.38 19 3.71 7.73 +++++++ +++*++++++++
Upper QG LYS+ 229 - QG GLN 233 7.25 17 2.54 6.39 + ++++ +++*++++++++
Upper HB2 LEU 163 - HB2 LEU 245 6.97 20 76.14 112.90 ++++++++++++++*+++++
Upper HB2 LEU 163 - HG LEU 245 4.60 20 79.48 117.88 ++++++++++++++*+++++
Upper HB3 LEU 163 - HB2 LEU 245 6.97 20 75.84 111.80 ++++++++++++++*+++++
Upper HB3 LEU 163 - HG LEU 245 4.60 20 79.19 116.78 ++++++++++++++*+++++
Upper HB THR 235 - HG2 MET 238 5.50 16 2.27 6.77 +++++ ++ +*+++++++
Upper HA ASP- 178 - QD1 ILE 195 4.79 20 19.20 24.75 +++++++++*++++++++++
Upper QD1 ILE 195 - QB LEU 231 5.88 20 33.02 48.34 ++++++++++++++*+++++
Upper QB ASP- 178 - QD1 ILE 195 7.19 20 14.25 19.56 ++++++++++*+++++++++
Upper QD1 ILE 219 - HB2 LYS+ 250 4.82 20 35.45 54.31 ++++++++++++++++*+++
Upper QD1 ILE 219 - QE LYS+ 250 7.40 20 28.93 46.21 ++++++++++++++++*+++
Upper QD1 ILE 219 - HB THR 248 6.31 20 32.15 48.00 ++++++++++++++++*+++
Upper QD1 ILE 219 - HB3 LYS+ 250 4.82 20 35.46 53.41 ++++++++++++++++*+++
Upper QE PHE 174 - QD1 ILE 219 8.65 20 33.32 48.10 ++++++++++++++*+++++
Upper QD1 ILE 219 - HN LYS+ 250 6.31 20 33.63 49.75 ++++++++++++++++*+++
Upper HB ILE 219 - QG2 THR 248 4.92 20 34.02 46.84 ++++++++++++++++*+++
Upper HB2 ASN 215 - QB ALA 252 4.48 20 41.24 52.79 +++++++++++++++++*++
Upper HG2 GLU- 220 - QG2 THR 248 6.19 20 30.40 40.61 ++++++++++++++++*+++
Upper HG2 MET 238 - QD1 LEU 245 8.95 18 2.95 6.07 ++++++++ +* ++++++++
Upper QD1 ILE 224 - HG2 MET 238 5.07 20 14.49 20.38 ++++++++++++++++*+++
Upper HG3 MET 238 - QD1 LEU 245 8.95 18 2.82 6.82 +++++*++ ++ ++++++++
Upper QD1 ILE 224 - HG3 MET 238 5.07 20 14.55 19.72 ++++++++++++++++++*+
Upper QG1 VAL 221 - HB2 MET 238 8.72 20 14.16 23.84 ++++++++++*+++++++++
Upper QG1 VAL 221 - HB3 MET 238 8.72 20 14.22 24.71 ++++++++++*+++++++++
Upper QD1 ILE 197 - HB3 ASP- 216 5.50 20 19.93 29.00 ++++++++++++*+++++++
Upper HB2 ASP- 216 - QG1 VAL 249 9.21 20 32.45 42.66 ++++++++++*+++++++++
Upper HB3 ASN 241 - QD1 LEU 245 8.61 4 0.14 1.16 * ++ +
Upper QG1 VAL 221 - HB3 ASN 241 9.31 20 17.89 31.27 ++++++++++*+++++++++
Upper QG1 VAL 221 - HB2 ASN 241 9.31 20 17.43 30.86 ++++++++++*+++++++++
Upper QG2 THR 185 - HG3 GLU- 190 5.63 20 5.78 10.04 +++++++++++++++++*++
Upper QG1 VAL 161 - HB2 PHE 174 8.72 19 6.76 13.10 *+++++ +++++++++++++
Upper HB2 PHE 174 - QB ALA 206 6.37 20 28.74 40.71 +*++++++++++++++++++
Upper QG1 VAL 221 - HB2 MET 237 7.66 20 14.97 25.89 ++++++++++*+++++++++
Upper HB2 MET 237 - QD1 LEU 245 9.67 17 3.80 7.92 ++++ +++ ++ ++++*+++
Upper QG1 VAL 221 - HB3 MET 237 7.66 20 15.18 24.86 ++++++++++*+++++++++
Upper HB3 MET 237 - QD1 LEU 245 9.67 16 3.44 7.05 ++++ ++++ + +++*+++
Upper QG2 VAL 182 - HB3 LYS+ 191 8.87 19 6.66 11.94 ++++++++ ++*++++++++
Upper QG2 VAL 182 - HB2 LYS+ 191 8.87 19 6.52 10.73 ++++++++ ++*++++++++
Upper QG1 VAL 221 - HG3 MET 237 9.21 20 13.68 23.04 ++++++++++*+++++++++
Upper QG1 VAL 221 - HG2 MET 237 9.21 20 13.54 23.15 ++++++++++++++*+++++
Upper HG2 GLU- 220 - QG1 VAL 226 6.88 20 5.53 9.86 +++++++++++++*++++++
Upper HA GLU- 220 - QG1 VAL 226 5.04 20 7.59 12.46 ++++*+++++++++++++++
Upper HA2 GLY 173 - QG2 VAL 201 9.24 20 24.14 42.83 ++++++++++*+++++++++
Upper HA1 GLY 173 - QG2 VAL 201 9.24 20 23.96 41.78 ++++++++++*+++++++++
Upper HA PHE 174 - QG2 ILE 247 5.88 20 63.64 87.98 ++++++++++++++*+++++
Upper HA PHE 174 - QB ALA 206 6.53 20 28.62 40.97 +*++++++++++++++++++
Upper HA ASN 222 - QD1 ILE 246 5.32 20 25.09 35.70 ++++++++++++++++*+++
Upper HA ASN 222 - QG2 ILE 246 5.81 20 25.27 37.05 ++++++++++++++++*+++
Upper HA ASP- 216 - QB ALA 252 4.61 20 39.53 52.55 ++++++++++*+++++++++
Upper HB3 ASN 215 - QB ALA 252 4.48 20 40.74 52.06 +++++++++++++++++*++
Upper HB3 PHE 174 - QB ALA 206 6.37 20 28.36 40.33 +++++++++++++++++++*
Upper QD PHE 174 - QB ALA 206 7.38 20 23.95 35.69 +++++++++++++*++++++
Upper QD1 ILE 197 - HB2 ASP- 216 5.50 20 19.46 27.99 +++*++++++++++++++++
Upper QD1 ILE 197 - HB VAL 249 6.16 20 51.21 66.29 ++++++++++++++*+++++
Upper QD1 ILE 197 - QB ALA 213 7.56 19 10.52 18.86 +++++++++++++ *+++++
Upper HA ILE 176 - QD1 ILE 197 6.53 20 20.42 29.55 ++++++++++++++*+++++
Upper QD1 ILE 197 - HN ALA 213 5.19 20 15.62 24.90 +++*++++++++++++++++
Upper QD1 ILE 224 - QE MET 237 6.97 20 9.72 15.14 ++++++++++*+++++++++
Upper QE MET 238 - QD1 ILE 247 6.97 20 7.47 10.78 +++*++++++++++++++++
Upper QE PHE 174 - QD1 ILE 247 8.53 20 54.41 78.36 ++++++++++++++*+++++
Upper HA VAL 234 - QE MET 237 4.51 20 4.74 7.37 ++++++*+++++++++++++
Upper HA VAL 226 - QE MET 237 4.51 20 11.74 16.84 ++++++++++*+++++++++
Upper HG12 ILE 224 - QE MET 237 4.42 20 15.53 22.53 ++++++++++*+++++++++
Upper QG LYS+ 229 - QE MET 237 5.76 20 8.48 14.32 +++++++++++++++++*++
Upper HG13 ILE 224 - QE MET 237 4.42 20 15.26 22.04 ++++++++++*+++++++++
Upper QG2 ILE 224 - QE MET 237 4.89 20 11.32 17.91 ++++++++++++++*+++++
Upper QG2 VAL 221 - QE MET 237 5.14 20 14.72 21.76 ++++++++++*+++++++++
Upper HN VAL 226 - QE MET 237 6.53 20 10.19 16.15 +++++++++++++++++*++
Upper HN VAL 221 - QE MET 237 4.85 20 18.94 27.34 ++++++++++++++*+++++
Upper HN ILE 224 - QE MET 237 5.01 20 14.61 21.15 +++++++++++++++++*++
Upper HB THR 235 - QE MET 238 4.85 15 1.91 5.10 + +*+ ++ +++++++ ++
Upper QE MET 238 - HB ILE 247 3.55 20 13.11 16.88 *+++++++++++++++++++
Upper QE MET 238 - QG2 ILE 247 4.67 20 9.14 12.68 +++++++++++++++++*++
Upper HA THR 235 - QE MET 238 6.25 8 0.86 4.42 + * +++ ++ +
Upper QE PHE 174 - QE MET 238 7.66 20 46.61 66.72 ++++++++++++++*+++++
Upper HZ PHE 174 - QE MET 238 5.35 20 55.70 79.06 ++++++++++++++*+++++
Upper QE MET 238 - HN THR 248 6.40 20 11.23 14.82 +++++++*++++++++++++
Upper QE MET 238 - HN ILE 246 6.53 19 7.28 10.65 *+++++++++++++++++ +
Upper HG2 GLU- 220 - QG2 VAL 226 6.88 20 6.28 10.68 ++*+++++++++++++++++
Upper QG1 VAL 161 - HB3 PHE 174 8.72 20 6.93 13.44 *+++++++++++++++++++
Upper QG2 THR 185 - HG2 GLU- 190 5.63 20 5.23 8.97 +++++++++++++++++++*
Upper QG2 THR 185 - HB3 GLU- 190 4.95 20 6.66 9.99 +++++++++++++*++++++
Upper QG2 THR 185 - HB2 GLU- 190 4.95 20 6.68 10.52 +++++++++++++++++*++
Upper QG2 THR 185 - HN GLU- 190 5.81 20 4.82 8.80 +++++++++++++++++*++
Upper QG2 THR 185 - HN GLY 188 6.53 11 0.82 2.59 + ++++ + + ++* +
Upper HB3 ASP- 216 - QG1 VAL 249 9.21 20 32.22 42.48 ++++++++*+++++++++++
Upper HG12 ILE 197 - QG1 VAL 249 8.19 20 48.79 63.83 ++++++++*+++++++++++
Upper HG13 ILE 197 - QG1 VAL 249 8.19 20 48.82 64.36 +++++++++++++++++*++
Upper HA ASP- 236 - QG1 VAL 239 5.29 17 2.75 5.59 ++++ ++++*+++++++ +
Upper HG3 GLU- 220 - QG2 THR 248 6.19 20 30.53 40.95 ++++++++++++++++*+++
Upper HN ARG+ 159 - QG2 THR 248 5.85 20 69.66 105.29 ++++++++++++++*+++++
Upper HA ARG+ 160 - QG2 THR 248 5.72 20 69.91 104.29 ++++++++++++++*+++++
Upper QD1 ILE 219 - QG2 THR 248 7.43 20 24.81 36.81 ++++++++++++++++*+++
Upper QG1 VAL 221 - QE MET 237 5.14 20 14.26 22.38 ++++++++++*+++++++++
Upper QG2 VAL 234 - HG2 MET 238 8.93 1 0.05 0.90 *
Upper QG2 VAL 234 - HG3 MET 238 8.93 2 0.07 0.80 + *
Upper QG2 THR 235 - HN VAL 239 6.06 13 1.64 5.94 ++ + + + ++ ++*+++
Upper QG2 THR 180 - QD LYS+ 191 5.23 20 10.37 16.65 +++++++*++++++++++++
Upper QG2 THR 180 - QE LYS+ 191 7.40 20 8.21 14.47 +*++++++++++++++++++
Upper QG1 VAL 161 - HB2 LEU 212 8.38 20 37.14 57.85 ++++++++++*+++++++++
Upper QG1 VAL 161 - HB3 LEU 212 8.38 20 37.75 58.46 ++++++++++++++*+++++
Upper QD ARG+ 162 - QD1 ILE 246 6.75 20 57.18 85.26 ++++++++++++++*+++++
Upper HA ASN 244 - QD1 ILE 246 5.85 9 0.42 1.84 ++ ++ ++ ++ *
Upper HD21 ASN 222 - QD1 ILE 246 5.50 20 24.85 34.78 ++++++++++++++++*+++
Upper HD22 ASN 222 - QD1 ILE 246 5.50 20 24.91 34.11 ++++++++++++++++*+++
Upper HD22 ASN 244 - QD1 ILE 246 6.53 3 0.10 0.73 ++ *
Upper QD1 ILE 176 - HA ILE 195 6.50 20 17.78 26.52 +++++++++++++++++++*
Upper HB THR 185 - QB ALA 186 4.70 1 0.01 0.14 *
Upper QB ALA 240 - HD22 ASN 241 5.23 14 0.65 1.38 +++++*+++ + + +++
Upper HA GLU- 220 - QG2 VAL 226 5.04 20 8.29 11.58 ++*+++++++++++++++++
Upper QD1 LEU 200 - QG GLU- 207 7.40 17 3.07 5.92 +++++ ++*+++++ ++++
Upper QD1 LEU 200 - HA PRO 202 4.95 10 0.83 3.17 + + ++ +* + +++
Upper HG3 GLU- 220 - QG1 VAL 226 6.88 20 5.72 10.54 +++++++++++++*++++++
Upper HA ILE 219 - QG2 THR 248 5.41 20 33.20 45.22 ++++++++++++++++*+++
Upper QG2 ILE 219 - HB THR 248 5.91 20 32.33 45.76 ++++++++++++++++*+++
Upper QG2 VAL 182 - HG2 LYS+ 191 7.51 19 8.10 12.49 ++++++++ ++*++++++++
Upper QG2 VAL 182 - HG3 LYS+ 191 7.51 19 7.86 12.64 ++++++++ ++*++++++++
Upper QG1 VAL 226 - HD2 LYS+ 229 8.97 1 0.02 0.41 *
Upper HD2 LYS+ 229 - QG1 VAL 234 8.75 17 3.40 6.50 + +++++++ ++ +++*+++
Upper HD3 LYS+ 229 - QG1 VAL 234 8.75 16 3.61 6.72 + +++++ + ++ +++++*+
Upper QG1 VAL 226 - HD3 LYS+ 229 8.97 1 0.03 0.57 *
Upper QG2 ILE 176 - HA ILE 197 5.04 20 22.26 30.80 ++++++++++++++++*+++
Upper QG2 ILE 176 - HN ARG+ 199 6.53 20 22.50 32.88 +*++++++++++++++++++
Upper QG2 ILE 176 - HN SER 198 5.97 20 22.03 31.42 ++++++++++++++++*+++
Upper HB2 ASN 241 - QD1 LEU 245 8.61 4 0.19 1.70 + * + +
Upper HA ASP- 236 - QG2 VAL 239 5.29 16 2.44 5.14 ++ +++ ++ ++ +*+++++
Upper HA ASP- 232 - QG2 THR 235 5.91 19 2.58 4.98 ++ +++++++++++*+++++
Upper QD1 ILE 219 - HA VAL 249 6.53 20 32.94 48.04 ++++++++++++++++*+++
Upper HA ALA 206 - QG2 THR 209 4.48 19 3.59 5.98 + ++++++++++++++*+++
Upper HN GLU- 217 - QD1 ILE 219 6.53 13 1.03 3.00 + ++ + ++++ +*++ +
Upper QB ALA 206 - QD2 LEU 212 6.13 20 4.54 8.38 +++++++++*++++++++++
Upper QE PHE 174 - QD2 LEU 212 8.65 20 29.13 40.87 ++++++++++++++*+++++
Upper QB ALA 206 - QD1 LEU 212 6.13 19 4.09 7.47 ++++++++*++++++++++
Upper QD2 LEU 200 - QG GLU- 207 7.40 19 3.66 7.31 ++++* ++++++++++++++
Upper HB3 PHE 174 - QD2 LEU 200 7.75 20 23.05 39.32 ++++++++++*+++++++++
Upper HB2 PHE 174 - QD2 LEU 200 7.75 20 23.53 40.52 ++++++++++*+++++++++
Upper QD2 LEU 200 - HA PRO 202 4.95 19 1.67 3.42 *+++++++++++++++ +++
Upper QD2 LEU 200 - HN GLU- 207 6.53 20 4.49 7.01 +++++++*++++++++++++
Upper QD2 LEU 200 - HN ALA 206 5.66 19 4.59 7.62 +++++++* +++++++++++
Upper HA ASP- 178 - QG2 ILE 195 5.88 20 18.63 23.97 +*++++++++++++++++++
Upper HB2 HIS+ 158 - QG2 THR 248 5.04 20 70.80 104.14 ++++++++++++++*+++++
Upper HB3 HIS+ 158 - QG2 THR 248 5.04 20 70.65 103.92 ++++++++++++++*+++++
Upper HE1 HIS+ 158 - QG2 THR 248 6.28 20 69.13 102.89 ++++++++++++++*+++++
Upper QG2 THR 180 - HN GLY 194 5.32 20 16.45 23.80 ++++++++++++++++++*+
Upper QE PHE 174 - QD1 LEU 212 8.65 20 29.03 43.15 ++++++++++++++*+++++
Upper QG2 ILE 219 - HN VAL 249 6.50 20 32.46 45.93 ++++++++++++++++*+++
Upper QD1 LEU 200 - HN ALA 206 5.66 17 3.69 7.07 +++++++ ++++ +++++*
Upper HA VAL 221 - QG2 ILE 247 5.63 20 28.15 39.23 ++++++++++++++++*+++
Upper QG2 ILE 224 - QE LYS+ 229 6.13 18 3.96 8.98 ++++*+ ++++ ++++++++
Upper QD1 ILE 224 - HA MET 238 4.30 20 15.53 20.81 ++++++++++*+++++++++
Upper HN ASN 222 - QG2 ILE 246 6.53 20 25.03 38.47 ++++++++++++++++*+++
Upper HN VAL 161 - QG2 ILE 246 6.09 20 66.57 96.64 ++++++++++++++*+++++
Upper QG2 ILE 197 - HN ASP- 216 5.78 20 17.69 26.57 ++++++++++++*+++++++
Upper QG2 ILE 197 - HB VAL 214 4.95 20 16.53 26.67 ++++++++++++++*+++++
Upper QG2 ILE 197 - HA VAL 214 4.64 20 16.86 25.76 ++++++++++++++*+++++
Upper QD1 ILE 195 - HA LEU 231 4.54 20 38.73 56.51 ++++++++++++++*+++++
Upper QD1 LEU 200 - HA ALA 206 4.79 20 4.38 8.39 +++++++++*++++++++++
Upper QD2 LEU 200 - HA ALA 206 4.79 20 5.20 7.58 ++++++++++++++++*+++
Upper HN ILE 148 - HB ILE 148 2.93 12 0.32 1.03 + ++++ ++*+++ +
Upper HN ASP- 152 - HB3 ASP- 152 3.21 10 0.21 0.73 + + + + * +++ ++
Upper HN ILE 153 - HB ILE 153 3.33 1 0.01 0.16 *
Upper HN LYS+ 165 - HB3 LYS+ 165 3.76 2 0.01 0.14 * +
Upper HN ARG+ 183 - HB3 ARG+ 183 3.52 1 0.01 0.18 *
Upper HN LYS+ 191 - HB2 LYS+ 191 3.36 11 0.23 0.61 ++ ++++*++ + +
Upper HB THR 185 - HN SER 187 3.45 20 1.95 3.13 +++++++++++*++++++++
Upper HN GLN 192 - HB2 GLN 192 3.58 2 0.01 0.12 * +
Upper HN LEU 189 - HB3 LEU 189 3.24 1 0.01 0.15 *
Upper HN VAL 201 - HB VAL 201 3.39 2 0.03 0.11 * +
Upper HN ASP- 232 - HB3 ASP- 232 3.36 1 0.01 0.13 *
Upper HN ASP- 232 - HB2 ASP- 232 3.36 1 0.01 0.13 *
Upper HN ASP- 236 - HB3 ASP- 236 3.33 1 0.02 0.16 *
Upper HN VAL 239 - HB VAL 239 2.90 12 0.51 1.05 + *+ ++ +++ ++++
Upper HN ASP- 152 - HB2 ASP- 152 3.21 5 0.15 0.68 + + + + *
Upper HN SER 181 - HN GLN 192 4.04 20 17.85 22.81 +++++++*++++++++++++
Upper HN GLU- 220 - HN THR 248 4.23 20 39.77 54.01 ++++++++++++++++*+++
Upper HN VAL 221 - HN ILE 224 4.17 20 3.96 5.85 ++*+++++++++++++++++
Upper HN ASN 222 - HN ILE 246 5.13 20 31.51 45.20 ++++++++++++++++*+++
Upper HN GLN 233 - HN VAL 234 3.86 1 0.01 0.11 *
Upper HN SER 243 - HN ASN 244 3.36 13 0.51 1.31 *++ ++ ++++ + +++
Upper HN LEU 163 - HN LEU 245 4.82 20 78.50 112.69 ++++++++++++++*+++++
Upper HN GLU- 217 - HN LYS+ 250 4.69 20 45.50 58.23 +++++++*++++++++++++
Upper HA ALA 252 - HN ASN 253 2.99 3 0.10 0.65 + + *
Upper HA ASP- 216 - HN ALA 252 4.01 20 48.79 65.40 ++++++++++*+++++++++
Upper HA ALA 240 - HN SER 242 3.61 20 1.41 2.35 +++++++++*++++++++++
Upper HA MET 238 - HN ASN 241 5.04 19 2.85 4.76 ++++++*+++++ +++++++
Upper HA ASP- 236 - HN ALA 240 4.51 19 5.07 9.13 +++++ +++++*++++++++
Upper HA ASP- 236 - HN VAL 239 3.70 20 4.36 6.37 +++++++++++*++++++++
Upper HA THR 235 - HN MET 238 5.16 14 1.13 3.77 + ++ +++ ++++++ +*
Upper HN THR 235 - HN MET 237 5.25 8 0.36 2.06 + + ++ ++*+
Upper HA GLU- 225 - HN ALA 227 4.35 13 0.54 1.80 +* ++++ ++++ ++ +
Upper HA GLU- 220 - HN VAL 226 3.67 20 10.61 13.55 ++*+++++++++++++++++
Upper HN ASN 222 - HA ILE 247 5.19 20 34.19 47.93 ++++++++++++++++*+++
Upper HA PHE 196 - HN VAL 218 4.38 20 28.90 42.25 ++++++++++++++*+++++
Upper HN ILE 219 - HA VAL 249 3.89 20 43.38 56.85 ++++++++++++++++*+++
Upper HN GLU- 220 - HA VAL 249 5.50 20 40.27 54.45 ++++++++++++++++*+++
Upper HA ILE 176 - HN ARG+ 199 4.94 20 29.18 40.08 ++++++++++++++++*+++
Upper HN THR 209 - HN LEU 211 5.28 11 0.77 2.57 + ++ ++++ *+ + +
Upper HA PHE 174 - HN VAL 201 4.23 20 33.67 52.13 ++++++++++*+++++++++
Upper HA PRO 202 - HN GLY 204 4.88 8 0.41 2.12 ++* ++ + + +
Upper HA LYS+ 191 - HN GLN 192 2.83 2 0.03 0.34 + *
Upper HA LEU 189 - HN GLU- 190 3.36 1 0.01 0.23 *
Upper HA VAL 184 - HN GLU- 190 3.64 20 8.55 14.70 +++++++++++++*++++++
Upper HN ARG+ 183 - HN GLU- 190 4.14 20 10.83 14.89 +++++++++++++*++++++
Upper HB THR 185 - HN GLY 188 4.07 19 3.64 6.01 +++++*+++ ++++++++++
Upper HB THR 185 - HN ALA 186 3.36 10 0.32 1.13 + +*+ + ++ + + +
Upper HA VAL 184 - HN THR 185 2.86 3 0.08 0.78 + *+
Upper HA ARG+ 183 - HN VAL 184 3.45 5 0.04 0.14 + ++ + *
Upper HN ARG+ 183 - HA LYS+ 191 4.69 20 12.01 15.94 +++++++*++++++++++++
Upper HN ASN 253 - HN GLN 254 3.86 1 0.01 0.17 *
Upper HN GLU- 217 - HN ALA 252 5.28 20 46.92 64.22 ++++++++++*+++++++++
Upper HN MET 238 - HN VAL 239 3.86 11 0.35 0.81 *++ + ++++ ++ +
Upper HN ASP- 236 - HN MET 237 4.01 1 0.03 0.19 *
Upper HN MET 237 - HN MET 238 3.86 3 0.02 0.18 * + +
Upper HN VAL 234 - HN ASP- 236 5.22 8 0.43 2.47 + + * ++ ++ +
Upper HN THR 230 - HN GLN 233 4.57 19 2.84 4.61 +++++++ +++++*++++++
Upper HN ASN 222 - HN THR 248 5.19 20 35.35 48.72 ++++++++++++++++*+++
Upper HN ILE 219 - HN LYS+ 250 5.28 20 42.55 57.22 ++++++++++++++++*+++
Upper HN ASN 215 - HN ASP- 216 4.07 1 0.01 0.16 *
Upper HN ARG+ 177 - HN SER 198 5.10 20 27.55 37.89 ++++++++++++++++*+++
Upper HN ILE 197 - HN ASP- 216 5.13 20 24.60 33.80 ++++++++++++++*+++++
Upper HN SER 187 - HN GLY 188 3.36 11 0.43 1.16 + ++ + * + ++++ +
Upper HN THR 185 - HN GLY 188 4.07 18 3.29 5.53 +++ ++++ ++++*++++++
Upper HN ARG+ 159 - HN VAL 249 4.76 20 86.07 126.78 ++++++++++++++*+++++
Upper HB3 PRO 251 - HN ASN 253 4.60 20 2.07 3.01 ++++++++++++*+++++++
Upper HA ARG+ 160 - HN VAL 249 4.88 20 86.06 125.15 ++++++++++++++*+++++
Upper HA VAL 221 - HN THR 248 5.22 20 36.25 49.51 ++++++++++++++++*+++
Upper HA ASN 222 - HN ILE 246 5.31 20 30.69 42.45 ++++++++++++++++*+++
Upper HA SER 242 - HN ASN 244 4.48 15 1.03 2.47 ++++++ + ++++ + +*+
Upper HB VAL 239 - HN ALA 240 3.64 13 0.40 0.98 +* + ++ ++ ++++ ++
Upper HB3 ASP- 236 - HN MET 237 3.67 2 0.04 0.53 * +
Upper HA GLN 233 - HN ASP- 236 4.26 18 2.77 5.92 *+++ ++++++++ ++++++
Upper HA VAL 226 - HN LYS+ 229 4.88 19 1.75 3.37 ++++++++++ ++++*++++
Upper HB VAL 226 - HN LYS+ 229 5.50 17 1.52 4.71 +++ ++++++ + ++*++++
Upper HB VAL 221 - HN GLY 223 4.82 19 1.59 3.53 ++++++*++ ++++++++++
Upper HN VAL 221 - HB ILE 224 4.66 20 5.45 8.48 ++++*+++++++++++++++
Upper HB ILE 219 - HN GLU- 220 3.55 16 0.67 1.14 ++++ ++ +++++ ++*++
Upper HA ASP- 216 - HN GLU- 217 3.52 3 0.02 0.13 * + +
Upper HN GLU- 217 - HA VAL 249 5.41 20 44.25 56.93 ++++++++++*+++++++++
Upper HN GLU- 217 - HA LYS+ 250 5.34 20 45.51 58.09 ++++++++++*+++++++++
Upper HA VAL 214 - HN ASP- 216 4.48 14 0.65 2.05 ++++ + ++++* ++++
Upper HN ALA 213 - HB3 ASP- 216 5.50 20 3.86 6.88 ++++++++++++*+++++++
Upper HN ALA 213 - HB2 ASP- 216 5.50 20 3.12 6.91 ++++++++*+++++++++++
Upper HN GLY 204 - HB2 GLU- 207 5.13 18 4.14 6.84 ++++++++ ++*+++ ++++
Upper HN GLY 204 - HB3 GLU- 207 5.13 20 4.56 7.36 +++++++++++++++++*++
Upper HA ILE 176 - HN SER 198 3.55 20 29.33 39.35 ++++++++++++++++*+++
Upper HN GLY 179 - HA ILE 195 4.85 20 23.37 30.19 +*++++++++++++++++++
Upper HB2 LEU 172 - HN PHE 174 5.10 16 0.96 2.64 + ++++ ++ +++ +*++++
Upper HB3 LEU 172 - HN PHE 174 5.10 10 0.45 1.57 +*+ +++ + + + +
Upper HA ALA 147 - HN ILE 148 2.77 7 0.30 0.87 ++ + + +* +
Upper HN TYR 175 - HN ARG+ 199 4.57 20 30.27 44.16 +*++++++++++++++++++
Upper HN GLN 254 - HB2 GLN 254 3.42 3 0.05 0.43 + + *
Upper HA THR 185 - HN SER 187 4.42 1 0.01 0.15 *
Upper HA ASN 222 - HN ILE 224 4.57 13 0.75 2.57 ++++ *+++ ++ + ++
Upper HB VAL 221 - HN ILE 224 4.26 20 3.88 5.64 ++*+++++++++++++++++
Upper HN SER 181 - HN GLY 194 5.22 20 20.11 26.86 ++++++++++++++++++*+
Upper HN LEU 163 - HA ILE 246 4.10 20 81.16 116.67 ++++++++++++++*+++++
Upper HN ARG+ 159 - HA LYS+ 250 5.38 20 87.36 126.97 ++++++++++++++*+++++
Upper HA LEU 164 - HN LEU 245 5.25 20 77.76 108.06 ++++++++++++++*+++++
Upper HA VAL 182 - HN GLN 192 5.22 20 13.75 18.47 +++++++++++*++++++++
Upper HB2 HIS+ 158 - HN ARG+ 159 4.17 1 0.01 0.16 *
Upper HN LEU 200 - HG LEU 200 4.14 11 0.35 1.07 + +++ ++++ *+ +
Upper HN VAL 161 - HB ILE 247 5.50 20 83.69 121.37 ++++++++++++++*+++++
Upper HB2 LYS+ 165 - HN GLY 173 4.26 20 10.79 18.04 +++++++++++*++++++++
Upper HN GLY 194 - QE PHE 196 7.62 10 0.52 1.76 ++++ + ++++ *
Upper HD22 ASN 222 - HB ILE 246 5.50 20 31.29 43.61 +++*++++++++++++++++
Upper HD21 ASN 222 - HB ILE 246 5.50 20 31.22 42.60 ++++++++++++++++*+++
Upper HN ASN 222 - HB ILE 246 5.07 20 32.35 46.52 ++++++++++++++++*+++
Upper HN GLU- 220 - HB THR 248 4.48 20 40.09 55.39 ++++++++++++++++*+++
Upper HN GLY 179 - QE PHE 196 7.62 20 17.95 26.66 +*++++++++++++++++++
Upper HN SER 181 - QE PHE 196 7.62 20 16.42 24.77 ++++++++++*+++++++++
Upper HN THR 180 - QE PHE 196 7.62 20 17.49 27.43 ++++++++++*+++++++++
Upper QB ARG+ 159 - HN VAL 249 6.38 20 74.55 112.87 ++++++++++++++*+++++
Upper QB GLU- 220 - HN THR 248 6.38 20 32.20 43.30 ++++++++++++++++*+++
Upper HB VAL 161 - HN ILE 247 5.50 20 82.04 121.96 ++++++++++++++*+++++
Upper HB ILE 197 - HN ASP- 216 4.54 20 24.53 34.56 +++++++++++*++++++++
Upper HB ILE 197 - HN ASN 215 5.50 20 22.15 30.75 +++++++++++*++++++++
Upper HB2 TYR 175 - HN ARG+ 199 5.50 20 28.92 42.08 ++++++++++*+++++++++
Upper HB ILE 176 - HN SER 198 5.50 20 27.52 38.59 ++++++++++++++++*+++
Upper HN ARG+ 177 - QG ARG+ 199 6.38 20 24.60 35.73 ++++++++++++++++*+++
Upper HN ILE 176 - QG ARG+ 199 6.38 20 24.86 36.37 ++++++++++*+++++++++
Upper QD TYR 175 - HN ARG+ 199 7.64 20 22.87 33.78 +*++++++++++++++++++
Upper HN LEU 163 - HB3 LEU 245 5.50 20 78.53 113.64 ++++++++++++++*+++++
Upper QB ALA 252 - HN GLN 254 4.92 1 0.01 0.16 *
Upper QG2 THR 230 - HE22 GLN 233 6.53 13 1.82 5.19 + ++ + +++++*+ + +
Upper QG2 THR 230 - HE21 GLN 233 6.53 12 1.48 4.11 * ++ + +++ +++ + +
Upper HN GLU- 225 - QE MET 237 6.22 20 12.64 19.22 +++++++++++++++++*++
Upper HN GLU- 220 - QG2 THR 248 6.34 20 31.07 42.26 ++++++++++++++++*+++
Upper QD1 ILE 197 - HN ASP- 216 6.22 20 17.94 27.18 ++++++++++++*+++++++
Upper HD22 ASN 215 - QB ALA 252 5.91 20 39.43 53.08 +++++++++++++++++*++
Upper QG1 VAL 154 - HD22 ASN 215 9.65 20 44.01 63.11 ++++++++++*+++++++++
Upper HD21 ASN 215 - QB ALA 252 5.91 20 39.60 52.23 ++++++++*+++++++++++
Upper QG1 VAL 154 - HD21 ASN 215 9.65 20 43.91 63.46 ++++++++++*+++++++++
Upper QG2 ILE 197 - HN ASN 215 6.53 20 15.79 23.69 ++++++++++++++*+++++
Upper QD1 LEU 200 - HN GLU- 207 6.53 18 3.69 7.97 ++++++ ++*+++ ++++++
Upper QG2 THR 180 - HN GLN 192 4.88 20 14.03 20.51 +++++++*++++++++++++
Upper HN GLY 179 - QD1 ILE 195 6.53 20 17.21 23.47 +++++++++*++++++++++
Upper HN VAL 161 - QD1 ILE 247 6.53 20 68.29 100.79 ++++++++++++++*+++++
Upper HN TYR 175 - QB ALA 206 4.14 20 30.83 43.16 +*++++++++++++++++++
Upper HA HIS+ 158 - HD2 HIS+ 158 3.48 12 0.53 1.37 +++ *+ + ++ + + ++
Upper HD2 HIS+ 158 - HA LYS+ 250 4.07 20 89.12 126.81 ++++++++++++++*+++++
Upper HA HIS+ 166 - HD2 HIS+ 166 4.20 12 0.28 0.75 + +++ ++ + *++++
Upper QD PHE 174 - HA ILE 197 7.62 20 22.21 33.16 ++++++++++*+++++++++
Upper QD PHE 174 - HN ARG+ 199 6.44 20 25.13 38.18 ++++++++++*+++++++++
Upper HZ PHE 174 - HG LEU 245 3.95 20 77.36 109.34 ++++++++++++++*+++++
Upper HN GLY 179 - QD PHE 196 6.41 20 19.42 28.04 +*++++++++++++++++++
Upper HA2 GLY 179 - QE PHE 196 7.62 20 17.67 27.72 ++++++++++*+++++++++
Upper HA2 GLY 194 - QE PHE 196 7.62 3 0.13 1.31 + + *
Upper QE TYR 175 - HA VAL 201 7.63 20 26.18 40.00 +*++++++++++++++++++
Upper QD TYR 175 - QG ARG+ 199 8.14 20 19.72 29.89 ++++++++++*+++++++++
Upper QD TYR 175 - HB3 ARG+ 199 7.64 20 23.52 35.02 ++++++++++++++++*+++
Upper QE TYR 175 - HD2 ARG+ 199 7.63 20 23.93 37.83 ++++++++++++++++*+++
Upper HE1 HIS+ 166 - HA ASN 244 4.17 20 78.38 114.91 +++++++++++++*++++++
Upper QG2 ILE 138 - HD2 HIS+ 140 5.85 13 0.86 3.06 ++ +++++ * ++++ +
Upper QG2 ILE 138 - HE1 HIS+ 140 5.54 18 2.47 4.75 +++++++* ++++++++++
Upper QD PHE 174 - QE MET 238 8.03 20 46.04 64.70 ++++++++++++++*+++++
Upper QD PHE 174 - QD1 ILE 197 7.53 20 17.38 28.04 ++++++++++++++*+++++
Upper QE PHE 174 - QD1 ILE 197 7.81 20 17.55 29.21 ++++++++++++++*+++++
Upper HZ PHE 174 - QD1 ILE 247 5.10 20 65.72 93.36 ++++++++++++++*+++++
Upper HA ILE 138 - QD PRO 139 2.30 2 0.12 1.16 * +
Upper QQG VAL 154 - QD2 ASN 215 8.04 20 34.43 49.63 ++++++++++*+++++++++
Upper QG2 VAL 154 - HD21 ASN 215 9.65 20 43.84 62.93 ++++++++++*+++++++++
Upper QG2 VAL 154 - HD22 ASN 215 9.65 20 43.93 62.58 ++++++++++*+++++++++
Upper QQG VAL 154 - HN ASP- 216 8.09 20 39.44 59.75 ++++++++++*+++++++++
Upper QB GLU- 156 - HD2 HIS+ 158 5.30 15 1.53 3.48 ++ + ++ +++ + +++++*
Upper QG GLU- 156 - HD2 HIS+ 158 5.57 12 1.46 4.68 ++ + + ++ + *++ ++
Upper HA HIS+ 158 - QQG VAL 249 7.25 20 60.29 89.89 ++++++++*+++++++++++
Upper HD2 HIS+ 158 - QQD LEU 212 7.51 20 34.35 56.60 ++++++++++*+++++++++
Upper HD2 HIS+ 158 - QG LYS+ 250 5.26 20 78.03 111.44 ++++++++*+++++++++++
Upper HE1 HIS+ 158 - QQD LEU 211 6.95 20 31.81 52.68 ++++++++++*+++++++++
Upper HE1 HIS+ 158 - QQD LEU 212 7.14 20 34.30 58.78 ++++++++++*+++++++++
Upper HN ARG+ 159 - QQG VAL 249 6.29 20 61.12 89.59 ++++++++++++++*+++++
Upper QB ARG+ 159 - QQG VAL 249 6.76 20 53.32 80.15 ++++++++++++++*+++++
Upper QB ARG+ 159 - QG LYS+ 250 6.17 20 67.70 99.86 ++++++++++++++*+++++
Upper HN VAL 161 - QG1 ILE 247 6.38 20 73.42 108.90 ++++++++++++++*+++++
Upper QQG VAL 161 - HA PHE 174 7.34 20 6.98 11.41 +++++++++*++++++++++
Upper QQG VAL 161 - QB PHE 174 7.04 19 5.20 9.64 *+++++ +++++++++++++
Upper QG2 VAL 161 - HB2 PHE 174 8.72 19 6.78 11.46 *+++++ +++++++++++++
Upper QG2 VAL 161 - HB3 PHE 174 8.72 20 6.96 11.68 *+++++++++++++++++++
Upper QQG VAL 161 - QB LEU 212 6.75 20 29.58 46.48 ++++++++++++++*+++++
Upper QG2 VAL 161 - HB2 LEU 212 8.38 20 37.13 59.05 ++++++++++++++*+++++
Upper QG2 VAL 161 - HB3 LEU 212 8.38 20 37.74 60.37 ++++++++++++++*+++++
Upper QB ARG+ 162 - QD1 ILE 246 6.35 20 57.34 83.79 ++++++++++++++*+++++
Upper QB LEU 163 - HN LYS+ 165 4.33 19 1.64 2.49 +++++++++ ++*+++++++
Upper QB LEU 163 - QB LEU 245 5.82 20 60.25 88.94 ++++++++++++++*+++++
Upper HB2 LEU 163 - HB3 LEU 245 6.97 20 76.75 113.06 ++++++++++++++*+++++
Upper HB3 LEU 163 - HB3 LEU 245 6.97 20 76.46 111.96 ++++++++++++++*+++++
Upper QB LEU 163 - HG LEU 245 4.33 20 70.43 104.29 ++++++++++++++*+++++
Upper QB LEU 164 - HD2 HIS+ 166 5.20 18 2.41 4.48 +++ +++++++++++*+++
Upper QB LEU 164 - HE1 HIS+ 166 5.64 20 3.57 6.24 +++++++++++*++++++++
Upper QQD LEU 164 - HD2 HIS+ 166 6.30 12 0.72 3.18 +++ + +*+ + ++++
Upper QQD LEU 164 - HE1 HIS+ 166 6.45 18 1.54 4.07 +++ ++++*++++++++ ++
Upper QQD LEU 164 - QB ASN 244 8.97 20 45.67 65.41 ++++++++++++++*+++++
Upper QQD LEU 164 - HN LEU 245 8.10 20 53.55 77.03 ++++++++++++++*+++++
Upper QQD LEU 164 - QB LEU 245 7.86 20 47.32 69.11 ++++++++++++++*+++++
Upper QB LYS+ 165 - QB PHE 174 6.51 19 6.44 12.38 +++ ++++++++*+++++++
Upper QG LYS+ 165 - QB PHE 174 5.08 20 8.67 15.02 ++++++++++++*+++++++
Upper QG LYS+ 165 - QD PHE 174 7.88 18 5.30 11.13 +++ +++++ ++*+++++++
Upper QB LEU 172 - HN PHE 174 4.83 9 0.23 1.19 +++ + + +* + +
Upper QQD LEU 172 - HZ PHE 174 6.36 11 0.62 2.81 ++ +++ + + +* + +
Upper QA GLY 173 - HN VAL 201 5.98 20 28.20 46.69 ++++++++++*+++++++++
Upper QA GLY 173 - QQG VAL 201 7.46 20 18.69 32.46 ++++++++++*+++++++++
Upper HA1 GLY 173 - QG1 VAL 201 9.24 20 23.46 39.49 ++++++++++*+++++++++
Upper HA2 GLY 173 - QG1 VAL 201 9.24 20 23.63 40.54 ++++++++++*+++++++++
Upper HA PHE 174 - QQD LEU 200 6.73 20 21.17 36.38 ++++++++++*+++++++++
Upper QB PHE 174 - QQD LEU 200 6.12 20 18.55 31.37 ++++++++++*+++++++++
Upper HB2 PHE 174 - QD1 LEU 200 7.75 20 23.70 39.68 ++++++++++*+++++++++
Upper HB3 PHE 174 - QD1 LEU 200 7.75 20 23.26 38.53 ++++++++++*+++++++++
Upper QB PHE 174 - QB ALA 206 5.62 20 25.47 35.88 +++++++++++++*++++++
Upper QD PHE 174 - QQD LEU 200 10.22 20 14.71 27.92 ++++++++++*+++++++++
Upper QE PHE 174 - QG1 ILE 219 8.01 20 37.01 53.94 ++++++++++++++*+++++
Upper QE PHE 174 - QQG VAL 249 10.21 20 46.30 65.34 ++++++++++++++*+++++
Upper QB TYR 175 - QB ALA 206 7.41 20 23.50 32.57 +++++++++++++*++++++
Upper QD TYR 175 - QB ARG+ 199 6.83 20 20.83 30.92 ++++++++++++++++*+++
Upper QE TYR 175 - QB ARG+ 199 8.51 20 19.29 30.52 ++++++++++++++++*+++
Upper QE TYR 175 - QD ARG+ 199 7.40 20 20.75 32.58 ++++++++++++++++*+++
Upper QE TYR 175 - QQG VAL 201 10.22 19 15.30 25.55 +*+++++ ++++++++++++
Upper HN ARG+ 177 - QB SER 198 6.38 20 23.51 32.72 ++++++++++++++++*+++
Upper HN ARG+ 177 - QB ARG+ 199 6.38 20 24.31 36.42 ++++++++++++++++*+++
Upper QB ARG+ 177 - QD PHE 196 7.29 20 16.36 24.68 ++++++++++*+++++++++
Upper QB ARG+ 177 - QB SER 198 5.01 20 21.48 30.42 ++++++++++*+++++++++
Upper QB ARG+ 177 - QG ARG+ 199 5.27 20 22.22 33.32 ++++++++++*+++++++++
Upper HA ASP- 178 - QQG VAL 182 7.41 4 0.16 1.01 ++ * +
Upper QA GLY 179 - HN GLY 194 5.51 20 18.50 24.48 ++++++++++*+++++++++
Upper QA GLY 179 - QD PHE 196 7.42 20 15.31 24.08 ++++++++++*+++++++++
Upper QA GLY 179 - QE PHE 196 7.19 20 15.31 24.59 ++++++++++*+++++++++
Upper HB THR 180 - QG LYS+ 191 6.38 20 13.20 18.59 +++++++*++++++++++++
Upper QG2 THR 180 - QB LYS+ 191 5.95 20 9.75 16.22 +++++++*++++++++++++
Upper HA VAL 182 - QG LYS+ 191 5.05 19 10.57 15.04 ++++++++ ++*++++++++
Upper QQG VAL 182 - QB LEU 189 6.64 17 3.74 7.65 +++ + ++ +++*+++++++
Upper QQG VAL 182 - HG LEU 189 5.27 20 6.51 12.11 ++++++++++++*+++++++
Upper QQG VAL 182 - HN GLU- 190 7.06 19 4.88 8.68 ++++++++ +++*+++++++
Upper QQG VAL 182 - HA LYS+ 191 6.79 19 6.36 10.04 ++++++++ ++*++++++++
Upper QQG VAL 182 - QB LYS+ 191 7.15 19 4.64 8.44 ++++++++ ++*++++++++
Upper QG1 VAL 182 - HB2 LYS+ 191 8.87 19 5.69 10.69 +++++++* +++++++++++
Upper QG1 VAL 182 - HB3 LYS+ 191 8.87 19 5.86 10.99 ++++++++ ++*++++++++
Upper QQG VAL 182 - QG LYS+ 191 5.87 19 5.93 9.56 ++++++++ ++*++++++++
Upper QG1 VAL 182 - HG2 LYS+ 191 7.51 19 7.26 12.05 +*++++++ +++++++++++
Upper QG1 VAL 182 - HG3 LYS+ 191 7.51 19 7.00 11.85 ++++++++ *++++++++++
Upper QQG VAL 182 - QD LYS+ 191 7.45 19 4.37 9.55 ++++++++ ++*++++++++
Upper QQG VAL 182 - QE LYS+ 191 8.31 19 3.54 8.37 ++++++++ ++*++++++++
Upper QQG VAL 182 - HN GLN 192 8.09 19 6.14 10.36 ++++++++ ++*++++++++
Upper HN ARG+ 183 - QB GLU- 190 5.32 20 9.06 12.39 +++++++++++++*++++++
Upper QB ARG+ 183 - HN GLU- 190 4.98 20 7.51 14.10 +++++++++++++*++++++
Upper HA VAL 184 - QQD LEU 189 5.83 17 3.84 8.86 +++ + ++++ ++*++++++
Upper QG2 THR 185 - QB GLU- 190 4.73 20 5.58 8.54 +++++++++++++*++++++
Upper QG2 THR 185 - QG GLU- 190 5.30 20 4.56 8.05 +++++++++++++++++++*
Upper QA GLY 188 - QB LEU 189 4.22 1 0.01 0.18 *
Upper HA PHE 196 - QQG VAL 249 7.10 20 44.32 60.18 +++++++++++++++++*++
Upper QB PHE 196 - HA ASN 215 5.17 20 21.42 29.93 +++*++++++++++++++++
Upper HN ILE 197 - QQG VAL 249 8.09 20 42.99 58.64 +++++++++++++++++*++
Upper HB ILE 197 - QB ASP- 216 6.38 20 20.58 29.63 +++++++++++*++++++++
Upper QG1 ILE 197 - QB ASP- 216 6.32 20 17.50 26.00 +++++++++++*++++++++
Upper HG13 ILE 197 - HB2 ASP- 216 7.25 20 22.62 32.93 +++*++++++++++++++++
Upper HG13 ILE 197 - HB3 ASP- 216 7.25 20 23.17 33.97 +++++++++++*++++++++
Upper QG1 ILE 197 - HB VAL 249 6.01 20 55.11 72.36 ++++++++++++++*+++++
Upper QG1 ILE 197 - QQG VAL 249 6.16 20 39.17 51.69 +++++++++++++++++*++
Upper HG12 ILE 197 - QG2 VAL 249 8.19 20 49.11 65.13 +++++++++++++++++*++
Upper HG13 ILE 197 - QG2 VAL 249 8.19 20 49.15 66.09 +++++++++++++++++*++
Upper QD1 ILE 197 - QB LEU 212 5.73 19 12.38 19.56 ++*++++++++++++++++
Upper QD1 ILE 197 - QB ASP- 216 5.25 20 17.17 24.80 ++++++++++++*+++++++
Upper HN ARG+ 199 - QQG VAL 214 8.09 20 10.14 18.90 +++++++++*++++++++++
Upper HA ARG+ 199 - QQG VAL 214 5.58 20 12.11 20.98 +++++++++*++++++++++
Upper HN LEU 200 - QQG VAL 214 6.17 20 10.97 19.06 +++++++++++*++++++++
Upper QB LEU 200 - QB GLU- 207 5.82 19 5.24 8.77 +++++ +++++*++++++++
Upper HB2 LEU 200 - HB2 GLU- 207 7.22 19 6.74 12.53 +++++ +++++*++++++++
Upper QB LEU 200 - QG GLU- 207 6.17 19 5.30 7.81 +++++ ++++++*+++++++
Upper HG LEU 200 - QQG VAL 214 6.10 20 10.30 18.77 ++++++++++++++*+++++
Upper QQD LEU 200 - HA PRO 202 4.41 11 0.74 2.12 * ++++ ++ + +++
Upper QQD LEU 200 - HN ALA 206 5.09 18 3.39 5.63 +++++++* ++++ ++++++
Upper QQD LEU 200 - HN GLU- 207 6.10 18 3.13 5.29 ++++++ ++*+++ ++++++
Upper QQD LEU 200 - HA GLU- 207 6.24 20 3.55 6.10 ++++*+++++++++++++++
Upper QQD LEU 200 - QB GLU- 207 8.92 12 0.79 2.26 ++ + + * ++ + ++++
Upper QQD LEU 200 - QG GLU- 207 6.89 17 2.55 5.44 ++++* ++++++++ ++++
Upper HN GLY 204 - QB GLU- 207 4.75 18 3.63 5.83 ++++++++ ++*+++ ++++
Upper HN ALA 206 - QQD LEU 212 8.10 18 2.71 6.43 ++++++++*+++++++ ++
Upper HA ALA 206 - QQD LEU 212 7.35 20 3.44 7.01 +++++++++*++++++++++
Upper QG2 THR 209 - QB LEU 211 4.90 11 0.61 1.95 + ++ + + +++ + +*
Upper QG2 THR 209 - QG1 ILE 219 5.21 20 9.01 14.81 ++++++++++++++++*+++
Upper HN ALA 213 - QB ASP- 216 5.37 20 2.53 5.34 ++++++++*+++++++++++
Upper QB ASN 215 - QB ALA 252 4.33 20 36.16 46.36 +++++++++++++++++*++
Upper HN ASP- 216 - QQG VAL 249 8.09 20 29.68 39.12 +++++++++++++++++*++
Upper QB ASP- 216 - HB VAL 249 4.86 20 39.51 52.25 ++++++++++*+++++++++
Upper QB ASP- 216 - QQG VAL 249 7.24 20 25.75 34.04 ++++++++++*+++++++++
Upper HB2 ASP- 216 - QG2 VAL 249 9.21 20 32.57 43.15 ++++++++++*+++++++++
Upper HB3 ASP- 216 - QG2 VAL 249 9.21 20 32.33 42.90 ++++++++++*+++++++++
Upper QB ASP- 216 - HN ALA 252 6.38 20 40.29 55.81 ++++++++++*+++++++++
Upper HN GLU- 217 - QG1 ILE 219 6.38 16 1.38 3.42 ++++++ ++++ *+++++
Upper HN GLU- 217 - QQG VAL 249 8.09 20 28.66 37.84 ++++++++++*+++++++++
Upper HA GLU- 217 - QQG VAL 249 6.82 20 29.83 39.27 +++*++++++++++++++++
Upper HN VAL 218 - QQG VAL 226 8.09 20 6.79 11.41 ++*+++++++++++++++++
Upper HA VAL 218 - QQG VAL 226 8.09 20 6.05 10.22 ++*+++++++++++++++++
Upper HA VAL 218 - QQG VAL 249 5.42 20 30.18 38.62 ++++++++++++++++*+++
Upper HB VAL 218 - QQG VAL 226 7.03 20 7.27 11.79 ++++*+++++++++++++++
Upper QQG VAL 218 - HN THR 248 7.56 20 26.96 38.16 ++++++++++++++++*+++
Upper HN ILE 219 - QQG VAL 226 7.59 20 5.93 9.61 ++++++++++++++*+++++
Upper HN ILE 219 - QQG VAL 249 5.55 20 29.45 38.12 ++++++++++++++++*+++
Upper HA ILE 219 - QQG VAL 226 5.92 20 7.57 10.10 +++++++++++++*++++++
Upper HB ILE 219 - QG GLU- 220 5.05 16 0.96 2.32 +*++ ++ +++++ + ++++
Upper QG2 ILE 219 - QB LYS+ 250 5.52 20 30.23 44.56 ++++++++++++++++*+++
Upper QG1 ILE 219 - HN THR 248 6.38 20 34.28 48.39 ++++++++++++++++*+++
Upper QG1 ILE 219 - HB THR 248 4.66 20 36.50 51.50 ++++++++++++++++*+++
Upper QG1 ILE 219 - HA VAL 249 5.82 20 36.42 50.67 ++++++++++++++++*+++
Upper QG1 ILE 219 - HN LYS+ 250 6.38 20 36.36 51.72 ++++++++++++++++*+++
Upper QD1 ILE 219 - QB LYS+ 250 4.57 20 31.30 47.70 ++++++++++++++++*+++
Upper QD1 ILE 219 - QG LYS+ 250 6.32 20 29.88 45.30 ++++++++++++++++*+++
Upper QG GLU- 220 - HA GLU- 225 4.98 20 5.87 9.51 ++*+++++++++++++++++
Upper QG GLU- 220 - HN VAL 226 6.38 20 6.23 10.45 ++*+++++++++++++++++
Upper QG GLU- 220 - QQG VAL 226 5.16 20 4.90 8.20 +++++++++++++*++++++
Upper HG3 GLU- 220 - QG2 VAL 226 6.88 20 6.46 10.91 ++*+++++++++++++++++
Upper QG GLU- 220 - HN ALA 227 6.38 20 7.59 13.40 ++*+++++++++++++++++
Upper QG GLU- 220 - HN THR 248 6.07 20 32.27 44.02 ++++++++++++++++*+++
Upper QG GLU- 220 - HB THR 248 4.28 20 34.56 47.19 ++++++++++++++++*+++
Upper QG GLU- 220 - QG2 THR 248 5.63 20 27.01 36.21 ++++++++++++++++*+++
Upper HN VAL 221 - QQG VAL 226 6.75 20 3.77 6.60 ++++*+++++++++++++++
Upper HB VAL 221 - QA GLY 223 5.45 20 1.45 2.98 ++++++*+++++++++++++
Upper QQG VAL 221 - HN MET 237 8.09 20 11.83 18.85 ++++++++++*+++++++++
Upper QQG VAL 221 - HA MET 237 6.63 20 13.58 21.98 ++++++++++*+++++++++
Upper QQG VAL 221 - QB MET 237 5.84 20 12.33 19.99 ++++++++++*+++++++++
Upper QG2 VAL 221 - HB2 MET 237 7.66 20 15.55 25.04 ++++++++++*+++++++++
Upper QG2 VAL 221 - HB3 MET 237 7.66 20 15.75 23.93 ++++++++++*+++++++++
Upper QQG VAL 221 - QG MET 237 7.51 20 10.72 17.32 ++++++++++*+++++++++
Upper QG2 VAL 221 - HG2 MET 237 9.21 20 14.09 21.17 ++++++++++*+++++++++
Upper QG2 VAL 221 - HG3 MET 237 9.21 20 14.23 22.30 ++++++++++*+++++++++
Upper QQG VAL 221 - HN MET 238 7.87 20 12.35 19.85 ++++++++++*+++++++++
Upper QQG VAL 221 - HA MET 238 6.10 20 14.60 22.11 ++++++++++*+++++++++
Upper QQG VAL 221 - QB MET 238 6.77 20 11.53 19.17 ++++++++++*+++++++++
Upper QG2 VAL 221 - HB2 MET 238 8.72 20 14.75 23.25 ++++++++++*+++++++++
Upper QG2 VAL 221 - HB3 MET 238 8.72 20 14.79 24.20 ++++++++++*+++++++++
Upper QQG VAL 221 - QG MET 238 7.26 20 10.94 18.13 +++++++++++++++*++++
Upper QQG VAL 221 - QB ASN 241 7.61 20 13.96 24.29 ++++++++++*+++++++++
Upper QG2 VAL 221 - HB2 ASN 241 9.31 20 18.08 30.52 ++++++++++*+++++++++
Upper QG2 VAL 221 - HB3 ASN 241 9.31 20 18.55 30.89 ++++++++++*+++++++++
Upper QQG VAL 221 - QD2 ASN 241 8.15 20 13.30 23.80 ++++++++++*+++++++++
Upper QB ASN 222 - QE MET 237 4.87 20 14.41 21.29 ++++++++++++++*+++++
Upper QD2 ASN 222 - QB ASN 241 7.24 20 17.18 26.96 ++++++++++*+++++++++
Upper QD2 ASN 222 - HN ILE 246 6.37 20 25.61 36.23 +++++++*++++++++++++
Upper QD2 ASN 222 - QD1 ILE 246 5.23 20 21.81 30.34 ++++++++++++++++*+++
Upper QG2 ILE 224 - QG MET 237 6.38 20 10.33 17.93 ++++++++++++++*+++++
Upper QG1 ILE 224 - QB MET 237 6.01 20 12.28 19.05 ++++++++++*+++++++++
Upper QG1 ILE 224 - QE MET 237 4.04 20 13.58 19.74 ++++++++++*+++++++++
Upper QD1 ILE 224 - QG MET 238 4.92 20 12.51 17.24 ++++++++++++++++*+++
Upper QG GLU- 225 - QE MET 237 5.92 20 10.41 15.68 +++++++++++++++*++++
Upper HA VAL 226 - QB LYS+ 229 4.30 20 2.90 5.55 ++++++++++++++++++*+
Upper HA VAL 226 - QD LYS+ 229 4.49 20 3.52 6.07 ++++*+++++++++++++++
Upper HA VAL 226 - QQG VAL 234 6.51 20 4.64 7.62 +++*++++++++++++++++
Upper HB VAL 226 - QD LYS+ 229 5.32 18 2.64 5.10 ++*++++++ +++++++++
Upper HB VAL 226 - QQG VAL 234 5.70 20 5.11 7.38 +++++++++++++++++*++
Upper QG2 VAL 226 - HD2 LYS+ 229 8.97 3 0.08 0.96 + * +
Upper QG2 VAL 226 - HD3 LYS+ 229 8.97 3 0.06 0.65 ++ *
Upper QQG VAL 226 - HN LEU 231 8.09 6 0.25 1.75 * ++ + + +
Upper QQG VAL 226 - QE MET 238 6.64 19 4.18 9.72 +++++++++++ +++*++++
Upper HN LYS+ 229 - QQG VAL 234 8.09 17 2.12 4.90 + +++++++ ++*++++++
Upper QB LYS+ 229 - HN GLN 233 5.79 19 3.02 5.34 +++++++ ++++++++++*+
Upper QB LYS+ 229 - QB GLN 233 7.25 17 1.83 4.56 ++ +++ +++++++++++*
Upper QB LYS+ 229 - HN VAL 234 6.38 20 4.39 6.82 ++++++++++++++++++*+
Upper QD LYS+ 229 - HA GLN 233 5.33 19 4.66 7.96 +++++++ +++++*++++++
Upper QD LYS+ 229 - QB GLN 233 5.99 19 3.42 6.13 +++++++ +++++++++++*
Upper HD2 LYS+ 229 - HB3 GLN 233 6.94 20 5.23 9.15 ++++++++++*+++++++++
Upper HD3 LYS+ 229 - HB3 GLN 233 6.94 19 5.60 8.87 +++++++ +++++++++++*
Upper QD LYS+ 229 - QQG VAL 234 6.98 16 2.36 5.14 + +++++ + ++ *++++++
Upper HD2 LYS+ 229 - QG2 VAL 234 8.75 16 2.77 7.01 + +++++ + ++ *++++++
Upper HD3 LYS+ 229 - QG2 VAL 234 8.75 16 2.94 7.02 + +++++ + ++ *++++++
Upper QD LYS+ 229 - QE MET 237 4.68 20 9.77 14.21 +++++++++++++++++*++
Upper HB THR 230 - QB ASP- 232 6.38 11 0.74 2.78 + + *+ ++++++ +
Upper QG2 THR 230 - QB GLN 233 6.01 7 0.36 2.25 + + ++ +* +
Upper HA LEU 231 - QQG VAL 234 5.58 15 1.23 3.04 + ++ ++*+ +++ +++++
Upper HA GLN 233 - QB ASP- 236 3.30 20 4.42 7.59 *+++++++++++++++++++
Upper HA VAL 234 - QB MET 237 3.82 19 3.96 6.28 ++++++*+++++++++ +++
Upper HA VAL 234 - QG MET 238 6.38 11 0.88 3.34 + ++ ++++ +* + +
Upper HA THR 235 - QB MET 238 5.14 12 1.57 4.94 +++ +++ ++ +* ++
Upper HA THR 235 - QG MET 238 6.38 8 0.81 3.29 + +*+ + ++ +
Upper HA THR 235 - QQG VAL 239 5.58 18 1.82 5.31 ++ ++ +++++++++++++*
Upper HB THR 235 - QB MET 238 5.76 12 1.44 5.50 +++ ++ ++++ * ++
Upper HB THR 235 - QG MET 238 5.12 15 1.74 4.89 +++++ ++ +++++* ++
Upper HA ASP- 236 - QQG VAL 239 4.66 16 2.05 4.37 ++++ +++ ++++*+++ +
Upper QB ASP- 236 - HB VAL 239 6.38 18 1.96 3.92 +*++++++++++ ++++++
Upper QB MET 237 - QQD LEU 245 7.83 16 2.75 5.32 ++++ +++ ++ ++++*++
Upper HB2 MET 237 - QD2 LEU 245 9.67 17 4.35 7.54 ++++ +++ ++ ++++*+++
Upper HB3 MET 237 - QD2 LEU 245 9.67 18 3.93 7.82 ++++ ++*+++ ++++++++
Upper HA MET 238 - QQD LEU 245 5.77 20 4.72 8.20 ++++++++++++++++*+++
Upper QB MET 238 - HG LEU 245 5.23 20 7.64 11.65 +++++++*++++++++++++
Upper QB MET 238 - QQD LEU 245 6.68 18 2.50 5.18 ++++ ++*+++ ++++++++
Upper QG MET 238 - QQD LEU 245 7.11 18 2.31 5.62 +++++*++ ++ ++++++++
Upper HG2 MET 238 - QD2 LEU 245 8.95 20 3.48 7.75 +++++*++++++++++++++
Upper HG3 MET 238 - QD2 LEU 245 8.95 19 3.39 8.64 +++++*+++++ ++++++++
Upper QE MET 238 - QQD LEU 245 7.61 19 1.87 4.99 +++++*++++++++++++ +
Upper HN ASN 241 - QQD LEU 245 7.32 8 0.41 1.69 + * + + + +++
Upper QB ASN 241 - HA LEU 245 4.92 17 2.81 5.06 ++++++ * ++++++++++
Upper HB2 ASN 241 - QD2 LEU 245 8.61 5 0.20 1.26 * +++ +
Upper HB3 ASN 241 - QD2 LEU 245 8.61 6 0.25 2.60 ++ + + * +
Upper QB ASN 241 - HN ILE 246 6.38 16 2.53 5.35 ++ +++ * ++++++++++
Upper HA SER 242 - QB LEU 245 3.57 19 3.73 6.42 +++++++*++++++++ +++
Upper QB PRO 251 - HN ASN 253 4.24 17 1.11 1.97 + ++++++++++*+++ ++
Upper QB PRO 251 - QD2 ASN 253 5.47 13 1.08 3.40 +++ +++ + ++*++ +
Upper QD PRO 251 - QD2 ASN 253 6.31 14 1.56 4.54 +++ + +++ + *++++ +
Upper HD2 PRO 251 - HD21 ASN 253 7.23 15 2.10 5.67 +++ + +++ ++ *++++ +
Upper HD3 PRO 251 - HD21 ASN 253 7.23 15 2.58 6.62 +++ + +++ ++ *++++ +
Angle PHI THR 131 252.00 283.90 14 44.83 136.74 ++++++++ ++* +++
Angle PSI THR 131 114.20 149.60 15 22.72 66.54 ++ ++++++ +* +++++
Angle PHI ALA 133 237.20 285.20 14 51.67 151.53 + ++++ +++*++++ +
Angle PSI ALA 133 92.20 156.30 7 3.85 12.95 + + + ++ +*
Angle PHI ILE 138 239.60 272.00 15 26.91 146.83 + +++++++++ *+++ +
Angle PSI ILE 138 94.20 164.00 2 14.41 144.09 + *
Angle PSI PRO 139 123.00 145.00 20 32.94 138.35 ++++++++++*+++++++++
Angle PHI HIS+ 140 259.00 295.10 16 64.21 152.88 + ++*++++++++++++
Angle PSI HIS+ 140 114.70 160.70 12 31.64 155.03 ++ ++ * +++ ++ + +
Angle PHI ASP- 141 254.20 276.10 15 48.08 149.34 + ++++++ ++* +++++
Angle PSI ASP- 141 121.80 155.80 16 64.81 156.43 + +++++++++ + +*+++
Angle PHI GLN 144 249.30 294.30 19 69.56 152.47 +++++++++ ++++++++*+
Angle PSI GLN 144 110.60 159.90 17 57.35 154.55 ++ +*+++++++++++ ++
Angle PHI VAL 145 254.10 286.20 17 53.61 138.74 +++++++ ++*+ ++++++
Angle PSI VAL 145 116.70 153.20 9 26.89 143.86 + + + + ++ + +*
Angle PHI SER 146 258.70 294.00 14 60.76 152.27 ++++ +*+++++ +++
Angle PSI SER 146 115.20 153.50 16 40.17 160.63 +++ + +++ *++++ ++++
Angle PHI ALA 147 247.20 288.80 15 53.89 154.11 * ++++++++++++ ++
Angle PSI ALA 147 104.70 153.10 17 62.52 153.38 ++++++++ +++*+++++
Angle PHI ILE 149 254.20 274.20 17 52.11 152.87 +*+++++ ++++++++++
Angle PSI ILE 149 116.60 151.10 10 42.02 150.91 + + + ++* ++ + +
Angle PHI ASP- 152 254.00 298.70 16 46.75 115.90 + +++++++*+++ +++ +
Angle PSI ASP- 152 108.40 154.40 8 4.27 18.06 ++ + + ++ +*
Angle PHI VAL 154 231.40 262.80 13 39.72 160.27 +* + + +++ ++ +++ +
Angle PSI VAL 154 102.20 146.40 13 44.50 154.35 ++ + +++ + +++ + +*
Angle PSI PRO 155 132.00 150.00 18 66.34 168.34 +++++++++++ ++*++++
Angle PHI ARG+ 159 223.00 263.00 15 63.50 159.44 +*+++++ ++ + ++ + ++
Angle PSI ARG+ 159 117.00 147.00 11 45.90 160.27 ++ + *+ ++ + ++ +
Angle PHI VAL 161 250.00 270.00 16 44.76 153.00 ++++++ +++ + ++*+++
Angle PSI VAL 161 106.00 132.00 14 21.24 69.19 +++ * + +++ ++++ + +
Angle PHI LEU 163 224.40 268.40 13 37.20 156.76 ++ ++++ + +*++ ++
Angle PSI LEU 163 121.70 153.80 16 52.81 144.43 *+++ ++ ++ ++++++++
Angle PHI LEU 164 240.60 275.60 16 40.41 150.12 + +++ ++ ++++*+++++
Angle PSI LEU 164 101.30 136.90 20 29.77 85.87 +++++++++*++++++++++
Angle PHI LYS+ 165 259.50 294.00 13 40.39 138.70 * +++ ++ +++++ ++
Angle PSI LYS+ 165 121.80 146.10 16 60.70 154.80 ++++++ ++ ++++++*+
Angle PHI GLY 167 81.00 101.00 18 66.33 161.56 + +++++*++++++ +++++
Angle PSI GLY 167 350.00 16.00 20 100.85 165.82 ++++++++++*+++++++++
Angle PHI TYR 175 223.00 257.00 13 30.73 155.24 ++ *++ +++++ ++ +
Angle PSI TYR 175 136.00 168.00 13 68.45 146.08 ++++++ * +++ +++
Angle PHI ILE 176 202.00 242.00 10 33.20 157.88 +++* ++ +++ +
Angle PSI ILE 176 137.00 157.00 19 55.10 162.02 ++++++++*++++++++ ++
Angle PHI ARG+ 177 219.00 249.00 19 55.08 162.26 ++++++++++* ++++++++
Angle PSI ARG+ 177 124.00 158.00 10 58.05 161.22 +++ *+ ++ + + +
Angle PHI ASP- 178 245.00 285.00 19 68.24 136.62 ++++++*++++++ ++++++
Angle PSI ASP- 178 124.00 160.00 10 11.97 34.43 *+ ++ + +++++
Angle PHI THR 180 234.00 266.00 13 41.47 153.90 *++++++ + + + + ++
Angle PSI THR 180 121.00 143.00 15 28.16 65.44 ++ + ++++*++++ ++ +
Angle PHI SER 181 229.00 267.00 18 82.39 160.78 ++++++ ++ ++++++++*+
Angle PSI SER 181 120.00 156.00 17 53.47 145.60 +++ +++++++*++++++
Angle PHI VAL 182 238.00 270.00 12 29.85 135.91 ++ +++*+ +++ ++
Angle PSI VAL 182 124.00 144.00 14 59.08 158.43 + + + + + *++++++++
Angle PHI ARG+ 183 229.00 259.00 19 47.89 161.81 +++++++++++++++++ +*
Angle PSI ARG+ 183 116.00 152.00 20 90.57 150.23 ++++++++*+++++++++++
Angle PHI VAL 184 246.00 286.00 13 37.17 127.33 ++ + ++++*+++ + +
Angle PSI VAL 184 108.00 138.00 15 33.50 158.03 ++++++ ++++ +*++ +
Angle PHI THR 185 245.00 283.00 17 64.41 159.28 ++*+++++++++++ ++ +
Angle PSI THR 185 157.00 177.00 13 51.61 152.72 +++++++ ++ + +*+
Angle PHI ALA 186 277.00 297.00 19 89.93 137.61 ++++++ ++++++++*++++
Angle PSI ALA 186 335.00 357.00 19 53.40 82.29 +++++++++++++++++* +
Angle PHI SER 187 244.00 272.00 17 61.13 159.65 ++ +++++++ + +*+++++
Angle PSI SER 187 356.00 28.00 20 78.46 132.06 +++++++++++++++++++*
Angle PHI LEU 189 235.00 275.00 14 16.74 34.89 * + +++++ +++++ ++
Angle PSI LEU 189 107.00 137.00 20 51.74 136.18 +++*++++++++++++++++
Angle PHI GLU- 190 222.00 270.00 13 37.30 149.67 ++ + + ++*++ ++++
Angle PSI GLU- 190 117.00 147.00 11 6.60 17.57 ++* + + ++++ ++
Angle PHI LYS+ 191 239.00 279.00 15 29.20 135.81 ++ ++++++*++ ++++
Angle PSI LYS+ 191 120.00 150.00 17 22.64 107.28 +++++ +++++++ ++ ++*
Angle PHI GLN 192 213.00 243.00 17 55.03 158.10 ++++++*+++++++++ +
Angle PSI GLN 192 141.00 161.00 6 3.55 10.87 + * + +++
Angle PHI ILE 195 230.90 282.30 15 37.39 143.14 ++ ++++ ++++++ +*+
Angle PSI ILE 195 118.10 144.80 10 17.22 55.37 ++ ++ + + +* ++
Angle PHI ILE 197 254.70 298.20 16 48.38 123.15 ++ +*+++++ ++++++ +
Angle PSI ILE 197 114.90 135.70 9 30.81 152.42 + * +++ + + ++
Angle PHI ARG+ 199 193.00 237.00 16 49.63 153.01 ++*+++++++ + ++ +++
Angle PSI ARG+ 199 133.00 155.00 17 27.37 93.91 ++*+++++ ++ +++ ++++
Angle PHI LEU 200 233.00 271.00 12 44.11 155.67 +++ ++ *+++ + + +
Angle PSI LEU 200 108.00 138.00 9 55.81 161.73 ++ *++ ++ + +
Angle PHI VAL 201 236.00 260.00 20 60.61 163.71 *+++++++++++++++++++
Angle PSI VAL 201 113.00 139.00 17 18.28 32.94 ++++*++ ++++++++++
Angle PSI PRO 202 127.00 145.00 14 46.91 160.43 ++*++++ ++ +++ ++
Angle PHI LEU 205 286.00 306.00 12 33.11 120.14 ++ ++ +++++ +*+
Angle PSI LEU 205 314.00 334.00 20 39.89 159.49 ++++++++++++++*+++++
Angle PHI ALA 206 284.00 304.00 20 97.05 135.95 ++++++++++++++++*+++
Angle PSI ALA 206 312.00 332.00 20 96.46 167.40 ++++++++*+++++++++++
Angle PHI GLU- 207 284.00 304.00 19 62.98 125.55 +++++*+++++++++++ ++
Angle PSI GLU- 207 305.00 325.00 17 93.46 165.04 +++++++ +++++++++ *
Angle PHI SER 208 285.00 305.00 14 51.57 118.11 +++++ * +++ ++ + ++
Angle PSI SER 208 306.00 326.00 16 84.16 159.31 +++ *+++ ++++ +++ ++
Angle PHI THR 209 279.00 299.00 20 61.90 124.24 +++++++++*++++++++++
Angle PSI THR 209 317.00 347.00 19 107.13 162.82 ++++++++++ ++*++++++
Angle PHI LEU 212 204.00 250.00 12 42.30 149.75 + ++++ * +++ +++
Angle PSI LEU 212 111.00 145.00 17 65.35 162.88 ++++++++++++ +++*+
Angle PHI ALA 213 231.00 269.00 13 50.36 154.90 ++ ++ +++ ++ +++*
Angle PSI ALA 213 119.00 161.00 13 12.84 46.02 * + +++ + + +++ +++
Angle PHI ASN 215 286.00 306.00 18 80.85 131.44 ++++++++ ++++*++ +++
Angle PSI ASN 215 314.00 334.00 20 73.13 151.37 +++++++++++*++++++++
Angle PHI VAL 218 253.00 293.00 17 37.41 130.03 +++++++++*+ ++++++
Angle PSI VAL 218 108.00 142.00 13 47.32 154.97 +++++++*+++ ++
Angle PHI GLU- 220 205.00 237.00 16 43.78 162.20 +++ +*+++ +++ +++++
Angle PSI GLU- 220 135.00 159.00 17 31.34 79.00 ++++++++* + +++++++
Angle PHI VAL 221 232.00 256.00 16 29.26 153.44 ++++++ +++++* + +++
Angle PSI VAL 221 120.00 146.00 13 22.09 65.35 ++++ *+ ++++ +++
Angle PHI VAL 226 243.10 270.10 18 52.93 159.31 ++++++++ *++++ +++++
Angle PSI VAL 226 343.50 19.80 20 52.48 94.07 +++++++++++++*++++++
Angle PHI GLY 228 82.00 102.00 19 57.99 160.31 ++++++* ++++++++++++
Angle PSI GLY 228 348.00 14.00 20 63.69 108.70 +++++++++++++++*++++
Angle PHI LYS+ 229 250.00 282.00 18 55.72 151.78 *++++++++++++++++ +
Angle PSI LYS+ 229 140.00 166.00 16 69.64 159.47 + ++++*++ ++ ++++++
Angle PHI THR 230 239.00 284.50 14 37.23 148.27 * +++ + + +++ + ++++
Angle PSI THR 230 160.80 180.80 13 30.67 133.43 + ++++ +++ + *++ +
Angle PHI LEU 231 289.20 309.20 17 52.45 114.55 ++++*++ ++++++++++
Angle PSI LEU 231 313.80 333.80 17 72.78 155.33 ++++*+ + + +++++++++
Angle PHI ASP- 232 283.30 303.30 17 44.57 120.03 ++++++ ++*+++++++ +
Angle PSI ASP- 232 309.20 329.20 10 8.63 25.32 + +++ ++ + + +*
Angle PHI GLN 233 286.80 306.80 20 93.41 127.94 ++++++++++++++++*+++
Angle PSI GLN 233 306.60 326.60 18 47.65 154.21 +++++*+++ ++++++ +++
Angle PHI VAL 234 286.00 306.00 16 58.43 119.58 +++ +++ ++++ ++*+++
Angle PSI VAL 234 311.00 331.00 18 47.39 149.43 ++++++++++++++*++ +
Angle PHI THR 235 283.00 303.00 18 62.37 128.37 ++++ ++++*++++++++ +
Angle PSI THR 235 311.00 331.00 14 42.14 152.58 + + +++ +*+ +++ +++
Angle PHI ASP- 236 286.80 306.90 19 58.40 114.51 + ++++++++++++*+++++
Angle PSI ASP- 236 311.40 331.40 16 34.44 158.01 +++ +++ ++++++*+++
Angle PHI MET 237 283.40 303.40 20 50.23 122.85 ++++++++++++++++++*+
Angle PSI MET 237 309.00 329.00 10 25.07 147.11 +++ + *+++ ++
Angle PHI MET 238 283.80 303.80 15 51.04 124.64 ++++++++ ++ *+ ++ +
Angle PSI MET 238 313.30 333.30 18 111.88 168.88 ++++ +++++*++++++++
Angle PHI VAL 239 283.40 303.40 17 69.40 126.68 ++++++++++++*+ + ++
Angle PSI VAL 239 312.90 332.90 19 117.27 167.16 +++++ +++++++++*++++
Angle PHI ALA 240 271.00 303.00 14 44.56 119.84 ++++*+ + ++ ++++ +
Angle PSI ALA 240 320.00 358.00 20 61.18 149.94 ++++++++++++++*+++++
Angle PHI SER 242 282.00 306.00 19 78.61 117.76 +*+ ++++++++++++++++
Angle PSI SER 242 321.00 341.00 19 74.01 155.13 ++++++*+++++++ +++++
Angle PHI ASN 244 231.20 289.40 15 43.36 133.53 *+++++ +++ ++ +++ +
Angle PSI ASN 244 96.20 149.80 7 30.58 150.40 + *+ + + + +
Angle PHI LEU 245 242.40 273.40 14 41.49 153.82 + + ++++++ + + +*++
Angle PSI LEU 245 104.00 130.80 15 91.76 165.87 +++++ + ++ +++ +++*
Angle PHI ILE 246 233.20 268.00 17 52.63 151.92 + ++* + ++++++++++++
Angle PSI ILE 246 119.80 139.80 15 55.41 166.98 +++*++ + +++ +++++
Angle PHI ILE 247 224.00 250.00 17 58.08 166.87 +++++++ ++*+++ ++ ++
Angle PSI ILE 247 119.00 149.00 16 23.48 49.05 +++ +++++ + ++*+ +++
Angle PHI THR 248 233.60 268.90 13 47.83 155.38 ++++* ++ ++++++
Angle PSI THR 248 120.90 142.90 13 17.42 57.50 +++ + ++ ++ +*+ ++
Angle PHI VAL 249 222.70 245.20 13 53.79 166.90 +* + +++ +++++ ++
Angle PSI VAL 249 137.70 165.20 11 21.26 81.40 +++++++ * + + +
Angle PHI LYS+ 250 221.00 249.00 17 62.69 161.86 +++++*+++++++ + +++
Angle PSI LYS+ 250 123.00 155.00 11 18.17 51.89 *+ ++ ++ ++ + + +
Angle PSI PRO 251 128.00 148.00 18 45.37 166.57 ++++++++++ +*++ ++++
739 violated distance constraints.
148 violated angle constraints.
RMSDs for residues 158..178, 195..251:
Average backbone RMSD to mean : 12.85 +/- 2.92 A (9.80..20.03 A)
Average heavy atom RMSD to mean : 13.56 +/- 3.03 A (10.34..20.77 A)
Pairwise RMSD table [A]:
(Mean structure is "selected atoms" fitted for residues 158..178, 195..251.)
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 mean
1 18.25 16.07 15.68 20.19 19.92 14.17 16.37 17.26 14.63 16.78 14.64 23.38 16.21 20.33 18.03 17.85 17.84 17.93 18.14 10.95
2 19.64 17.85 16.80 22.68 22.07 17.92 24.53 26.33 20.43 22.19 20.10 24.56 23.28 28.19 18.01 23.59 23.50 22.03 23.25 17.21
3 17.53 18.27 11.78 18.92 20.35 14.22 16.54 19.05 15.54 14.69 13.63 19.48 18.00 21.09 15.12 18.20 13.53 19.07 16.60 10.64
4 16.72 17.54 12.76 17.34 21.73 12.81 16.19 17.19 17.31 13.40 13.58 21.80 17.98 20.04 13.56 15.87 12.50 15.55 15.49 9.85
5 20.99 23.14 19.82 18.07 28.61 19.00 18.01 14.22 18.34 18.99 15.40 23.73 14.34 14.31 17.81 15.45 15.90 14.03 12.44 13.35
6 20.69 23.27 21.76 23.15 29.37 18.21 19.34 27.04 21.55 25.19 24.62 15.77 29.84 33.28 18.53 25.41 23.11 25.65 26.16 19.77
7 15.37 18.88 15.15 13.70 19.45 19.52 14.30 17.55 16.78 17.43 16.06 15.75 17.84 20.55 15.50 15.61 13.01 17.55 15.10 9.76
8 17.20 25.31 17.73 17.17 18.37 20.29 15.15 14.39 16.15 17.17 15.72 17.08 17.05 17.48 14.41 16.11 13.73 15.51 14.02 10.82
9 17.87 27.20 20.28 18.02 15.19 27.84 18.23 15.11 14.87 18.97 12.51 23.52 13.16 12.34 19.45 11.31 15.77 12.09 13.82 11.47
10 15.73 20.98 16.57 18.20 19.24 22.32 17.91 17.29 15.83 21.30 11.71 20.48 17.38 20.73 18.00 14.37 18.57 16.74 18.49 11.38
11 17.82 22.80 16.01 14.24 19.47 26.67 18.13 18.15 19.63 22.31 17.50 26.72 17.30 19.08 16.47 19.89 13.26 19.10 14.25 13.55
12 15.79 20.80 14.76 14.72 16.24 25.45 17.32 16.91 13.37 12.51 18.58 22.79 16.44 15.92 17.33 14.80 15.63 14.19 16.28 9.45
13 24.40 25.15 20.39 22.97 24.60 16.51 16.65 18.21 24.81 21.64 27.84 24.07 25.26 27.62 19.62 22.51 20.46 23.77 21.73 17.91
14 17.38 23.62 18.68 18.61 15.04 30.61 18.34 17.56 14.18 18.47 17.77 17.72 26.06 12.76 20.81 16.09 16.38 18.63 11.33 12.67
15 21.35 28.99 22.33 20.87 15.42 34.38 21.27 18.33 13.25 22.10 19.90 17.29 28.98 14.22 23.50 16.81 17.04 16.84 13.97 15.47
16 18.97 18.54 16.16 14.62 18.70 19.39 16.47 15.37 20.60 18.89 17.49 18.37 20.43 21.35 24.74 18.99 15.38 15.93 15.80 12.14
17 18.47 24.05 18.58 16.16 16.46 26.11 15.91 16.62 12.62 15.09 20.24 15.50 23.40 16.57 17.49 19.95 15.33 12.55 13.98 11.57
18 18.80 23.90 14.54 13.37 16.49 24.55 13.49 14.65 16.83 19.87 13.80 16.94 21.70 16.66 17.80 16.40 15.88 17.29 11.52 10.92
19 18.37 22.58 19.97 15.93 14.85 26.43 17.95 15.82 12.94 17.53 19.48 14.93 24.90 19.21 17.32 16.79 13.68 18.16 15.69 12.06
20 19.02 23.88 17.59 16.35 13.04 27.07 15.57 14.52 14.74 19.68 14.79 17.59 22.67 11.96 15.01 16.75 14.95 12.10 16.34 11.05
mean 11.68 17.63 11.42 10.42 13.91 20.52 10.29 11.41 12.20 12.17 14.05 10.34 18.73 13.11 16.27 12.75 11.87 11.50 12.37 11.60
Average pairwise RMSD of each structure to the rest of the bundle:
Structure 1 (bb ): 17.56 +/- 2.28 A (14.17..23.38 A)
(heavy): 18.53 +/- 2.22 A (15.37..24.40 A)
Structure 2 (bb ): 21.87 +/- 3.12 A (16.80..28.19 A)
(heavy): 22.56 +/- 3.09 A (17.54..28.99 A)
Structure 3 (bb ): 16.83 +/- 2.58 A (11.78..21.09 A)
(heavy): 17.84 +/- 2.57 A (12.76..22.33 A)
Structure 4 (bb ): 16.14 +/- 2.90 A (11.78..21.80 A)
(heavy): 17.01 +/- 2.96 A (12.76..23.15 A)
Structure 5 (bb ): 17.88 +/- 3.95 A (12.44..28.61 A)
(heavy): 18.63 +/- 3.92 A (13.04..29.37 A)
Structure 6 (bb ): 23.49 +/- 4.44 A (15.77..33.28 A)
(heavy): 24.49 +/- 4.42 A (16.51..34.38 A)
Structure 7 (bb ): 16.28 +/- 2.07 A (12.81..20.55 A)
(heavy): 17.08 +/- 2.07 A (13.49..21.27 A)
Structure 8 (bb ): 16.53 +/- 2.43 A (13.73..24.53 A)
(heavy): 17.36 +/- 2.45 A (14.52..25.31 A)
Structure 9 (bb ): 16.89 +/- 4.64 A (11.31..27.04 A)
(heavy): 17.82 +/- 4.64 A (12.62..27.84 A)
Structure 10 (bb ): 17.55 +/- 2.66 A (11.71..21.55 A)
(heavy): 18.53 +/- 2.70 A (12.51..22.32 A)
Structure 11 (bb ): 18.40 +/- 3.61 A (13.26..26.72 A)
(heavy): 19.22 +/- 3.71 A (13.80..27.84 A)
Structure 12 (bb ): 16.26 +/- 3.24 A (11.71..24.62 A)
(heavy): 17.31 +/- 3.26 A (12.51..25.45 A)
Structure 13 (bb ): 21.90 +/- 3.34 A (15.75..27.62 A)
(heavy): 22.91 +/- 3.40 A (16.51..28.98 A)
Structure 14 (bb ): 17.90 +/- 4.42 A (11.33..29.84 A)
(heavy): 18.63 +/- 4.35 A (11.96..30.61 A)
Structure 15 (bb ): 19.57 +/- 5.50 A (12.34..33.28 A)
(heavy): 20.58 +/- 5.54 A (13.25..34.38 A)
Structure 16 (bb ): 17.49 +/- 2.42 A (13.56..23.50 A)
(heavy): 18.42 +/- 2.41 A (14.62..24.74 A)
Structure 17 (bb ): 17.09 +/- 3.67 A (11.31..25.41 A)
(heavy): 17.77 +/- 3.58 A (12.62..26.11 A)
Structure 18 (bb ): 16.30 +/- 3.32 A (11.52..23.50 A)
(heavy): 17.15 +/- 3.44 A (12.10..24.55 A)
Structure 19 (bb ): 17.38 +/- 3.53 A (12.09..25.65 A)
(heavy): 18.06 +/- 3.53 A (12.94..26.43 A)
Structure 20 (bb ): 16.21 +/- 3.91 A (11.33..26.16 A)
(heavy): 17.03 +/- 3.98 A (11.96..27.07 A)
Mean structure (bb ): 12.60 +/- 2.86 A (9.45..19.77 A)
(heavy): 13.21 +/- 2.88 A (10.29..20.52 A)
Average global and local displacements [A]:
backbone heavy atoms backbone heavy atoms
128 GLY : 48.04 48.08 0.00 0.00
129 SER : 48.00 48.11 1.25 1.85
130 LYS+ : 47.93 47.94 1.15 3.53
131 THR : 47.18 47.22 1.02 1.89
132 LYS+ : 46.52 46.58 1.24 3.17
133 ALA : 45.47 45.37 1.22 1.61
134 PRO : 44.55 44.69 1.30 2.04
135 SER : 43.48 43.48 1.22 2.20
136 ILE : 42.62 43.07 1.25 2.70
137 SER : 41.05 40.92 1.07 1.97
138 ILE : 39.73 39.83 1.10 2.50
139 PRO : 38.30 38.54 1.17 2.01
140 HIS+ : 36.61 36.73 1.36 3.71
141 ASP- : 35.22 35.22 1.17 2.57
142 PHE : 34.21 34.03 1.18 2.88
143 ARG+ : 33.61 34.09 1.24 4.42
144 GLN : 32.93 32.89 1.07 2.80
145 VAL : 32.05 32.13 1.29 2.22
146 SER : 31.45 31.48 1.28 2.07
147 ALA : 31.10 31.12 1.24 1.78
148 ILE : 30.65 30.93 1.25 2.73
149 ILE : 29.62 29.94 1.25 2.85
150 ASP- : 28.26 27.90 1.16 2.52
151 VAL : 27.55 27.88 1.17 2.44
152 ASP- : 25.89 25.65 0.86 2.52
153 ILE : 24.54 24.70 1.11 2.79
154 VAL : 22.91 22.91 1.23 2.39
155 PRO : 21.22 21.33 1.19 1.94
156 GLU- : 19.73 19.40 0.95 2.87
157 THR : 19.02 19.12 1.10 2.24
158 HIS+ : 18.28 18.59 1.03 3.37
159 ARG+ : 17.63 18.64 1.18 4.58
160 ARG+ : 16.61 17.16 1.22 4.72
161 VAL : 15.50 15.50 1.14 2.26
162 ARG+ : 14.51 14.78 1.05 4.11
163 LEU : 13.90 13.95 1.22 2.97
164 LEU : 14.17 14.65 1.14 2.88
165 LYS+ : 14.69 15.59 1.24 3.45
166 HIS+ : 14.81 15.69 1.25 3.58
167 GLY : 14.61 14.56 1.14 1.39
168 SER : 14.13 14.30 1.03 1.89
169 ASP- : 13.29 13.71 1.27 2.85
170 LYS+ : 12.19 12.75 1.17 3.68
171 PRO : 11.27 11.49 1.38 2.22
172 LEU : 10.77 11.08 1.21 2.76
173 GLY : 10.90 10.92 1.23 1.55
174 PHE : 10.67 10.24 1.05 3.57
175 TYR : 11.83 13.37 1.17 4.08
176 ILE : 12.58 12.82 1.13 2.43
177 ARG+ : 13.55 14.71 1.17 4.15
178 ASP- : 14.26 14.69 1.08 2.59
179 GLY : 15.20 15.32 1.14 1.40
180 THR : 16.22 16.63 0.98 1.91
181 SER : 16.50 16.78 1.05 1.93
182 VAL : 16.46 16.52 0.93 2.03
183 ARG+ : 16.55 16.76 1.07 4.36
184 VAL : 17.31 17.54 1.03 2.13
185 THR : 17.89 18.11 1.11 1.97
186 ALA : 18.66 18.86 1.28 1.90
187 SER : 18.59 18.64 0.95 1.67
188 GLY : 18.77 18.80 0.90 1.04
189 LEU : 19.06 19.63 0.98 2.75
190 GLU- : 18.68 18.73 0.98 3.39
191 LYS+ : 18.11 18.31 0.80 3.08
192 GLN : 17.63 18.20 0.92 3.32
193 PRO : 16.78 17.03 0.99 1.92
194 GLY : 15.77 15.63 0.99 1.28
195 ILE : 14.12 14.05 1.03 2.61
196 PHE : 13.01 13.94 0.97 3.55
197 ILE : 11.84 11.74 0.92 2.36
198 SER : 11.58 11.88 1.04 2.13
199 ARG+ : 11.04 11.74 1.07 4.48
200 LEU : 10.75 10.94 0.96 2.44
201 VAL : 10.99 11.33 1.03 2.09
202 PRO : 10.98 11.25 1.16 2.03
203 GLY : 11.26 11.27 1.07 1.32
204 GLY : 11.40 11.35 1.12 1.38
205 LEU : 11.02 11.45 1.15 2.49
206 ALA : 10.47 10.52 1.08 1.57
207 GLU- : 10.28 10.94 1.12 3.63
208 SER : 10.32 10.80 1.18 2.15
209 THR : 9.76 10.05 1.06 2.17
210 GLY : 9.40 9.36 1.16 1.51
211 LEU : 9.32 9.57 1.10 2.45
212 LEU : 9.67 10.52 0.92 2.70
213 ALA : 9.28 9.32 0.95 1.36
214 VAL : 9.62 9.93 1.13 2.39
215 ASN : 9.94 10.53 1.06 2.40
216 ASP- : 9.82 10.15 0.97 2.76
217 GLU- : 9.82 10.89 1.07 3.14
218 VAL : 9.49 9.63 1.01 1.94
219 ILE : 9.95 10.52 1.01 2.23
220 GLU- : 9.90 10.39 0.90 3.17
221 VAL : 10.18 10.52 0.94 2.26
222 ASN : 10.21 10.64 0.96 2.54
223 GLY : 9.97 10.05 0.92 1.29
224 ILE : 9.59 10.12 0.91 2.24
225 GLU- : 9.47 10.16 0.74 2.42
226 VAL : 9.57 9.69 0.98 1.99
227 ALA : 9.95 10.19 1.16 1.79
228 GLY : 10.15 10.14 1.00 1.28
229 LYS+ : 10.03 10.67 1.06 3.67
230 THR : 9.70 9.95 0.88 1.76
231 LEU : 9.12 9.72 1.03 2.77
232 ASP- : 8.55 8.89 1.18 2.79
233 GLN : 8.60 9.31 1.22 3.62
234 VAL : 8.70 8.96 1.18 2.35
235 THR : 9.60 10.17 1.23 2.38
236 ASP- : 9.90 10.57 1.18 2.58
237 MET : 9.64 10.38 1.23 3.00
238 MET : 9.18 9.27 1.13 3.09
239 VAL : 9.10 9.62 1.01 2.09
240 ALA : 9.26 9.41 1.28 1.89
241 ASN : 9.70 10.35 1.11 2.58
242 SER : 9.77 10.16 0.98 1.89
243 SER : 9.47 9.61 1.28 2.22
244 ASN : 9.78 9.95 1.13 2.76
245 LEU : 10.79 11.33 1.18 2.95
246 ILE : 12.47 12.93 1.03 2.68
247 ILE : 13.95 14.36 0.84 2.29
248 THR : 15.81 16.08 1.04 2.05
249 VAL : 17.58 17.90 1.05 2.17
250 LYS+ : 18.95 19.44 1.15 3.66
251 PRO : 20.64 20.59 1.28 2.17
252 ALA : 22.57 22.75 1.24 1.74
253 ASN : 24.59 25.06 1.22 2.90
254 GLN : 26.45 27.36 1.26 3.23
255 ARG+ : 27.36 28.22 0.00 0.00