Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 162.39 5 0.0854 2.42 154 106.2 0.57 70 8.5128 37.41 2 265.86 9 0.1098 4.43 216 138.8 1.17 7411.1789 39.20 3 285.70 14 0.1151 3.12 241 146.1 0.66 8611.8230 50.82 4 291.04 14 0.1177 3.94 297 165.6 0.87 79 9.4059 36.11 5 295.31 13 0.1146 2.85 247 150.0 0.71 8213.3627 66.48 6 312.56 18 0.1174 3.31 273 157.8 0.77 8113.8382 73.73 7 320.15 15 0.1179 3.73 313 173.4 0.68 9413.2499 49.01 8 339.67 26 0.1318 3.40 248 151.7 0.98 7410.5539 47.02 9 345.09 14 0.1219 4.30 310 180.9 0.88 8012.9948 65.25 10 346.90 12 0.1222 4.64 322 185.0 0.74 7713.3976 94.65 11 349.68 15 0.1224 4.15 308 171.6 0.73 10115.1162 63.79 12 371.24 14 0.1217 3.52 336 195.5 0.97 9215.1935 53.15 13 373.20 12 0.1195 3.09 297 175.3 0.88 10618.0099 81.04 14 382.22 17 0.1210 3.17 354 201.6 0.99 10015.6457 65.74 15 383.53 17 0.1343 4.70 329 188.7 0.74 9912.5640 42.31 16 388.00 16 0.1288 4.10 340 194.9 0.97 8514.6951 67.42 17 388.22 15 0.1218 3.62 361 194.3 0.98 9716.8719 76.94 18 388.71 19 0.1287 4.50 365 193.9 0.87 8814.6928 77.57 19 391.23 16 0.1292 4.29 367 194.2 1.03 8514.2962 79.77 20 391.64 17 0.1208 3.00 359 184.6 0.77 9618.7358101.95 Ave 338.62 15 0.1201 3.71 302 172.5 0.85 8713.7069 63.47 +/- 56.44 4 0.0099 0.64 55 23.8 0.15 10 2.5660 18.38 Min 162.39 5 0.0854 2.42 154 106.2 0.57 70 8.5128 36.11 Max 391.64 26 0.1343 4.70 367 201.6 1.17 10618.7358101.95 Cut 1.50 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper HB3 ASN 19 - QD1 LEU 59 3.89 9 1.34 3.35 +++ ++ * + ++ peak 702 QD1 LEU 59 - HD3 ARG 97 QD1 LEU 59 - HB2 ASP 106 HB2 PHE 26 - HH2 TRP 118 HD3 ARG 97 - HH2 TRP 118 Upper HA PHE 21 - QG2 THR 115 3.84 7 1.01 2.34 + ++ + + * + peak 2018 HA LYS 74 - QG2 THR 115 HG3 GLN 51 - HG13 ILE 119 HB2 LEU 87 - HG13 ILE 119 HG13 ILE 119 - HB3 GLU 134 Upper HA VAL 31 - HB ILE 32 3.81 16 1.52 1.97 +++ ++++*++ ++++ ++ peak 2148 HA VAL 31 - HG3 PRO 157 Upper HB VAL 34 - QD TYR 95 3.28 9 1.41 3.34 ++ ++ * + + ++ peak 2261 HB VAL 34 - HE3 TRP 118 HB VAL 34 - HH2 TRP 118 HD3 ARG 97 - HB2 ASN 107 HD3 ARG 97 - HD3 ARG 137 Upper QG1 VAL 34 - QD TYR 95 3.14 6 1.05 2.29 ++ + * ++ peak 2059 QG1 VAL 34 - HE3 TRP 118 QG1 VAL 34 - HH2 TRP 118 HD3 PRO 48 - HA ASP 123 Upper QG1 VAL 34 - H LYS 148 3.89 9 1.68 4.43 *+ + +++ +++ peak 631 HA LEU 59 - H GLY 69 H GLY 69 - HA ASN 107 H GLY 69 - HA ASN 120 Upper HA MET 35 - HZ PHE 147 3.46 12 1.70 2.58 ++ +++++ *+ + + + peak 257 HA PHE 147 - HZ PHE 147 Upper HD2 ARG 38 - H ASP 125 3.89 7 1.11 2.43 + + +++ + * peak 976 HB3 ASN 86 - H ASP 125 H ASP 125 - HE3 LYS 141 H ASP 125 - HB2 PHE 147 QG2 VAL 20 - H GLY 101 QG2 ILE 42 - H GLY 101 HG13 ILE 42 - H GLY 101 QG2 THR 46 - H GLY 101 Upper HD2 ARG 38 - H ASP 125 3.53 7 1.06 3.09 + + + ++* + peak 275 HB3 ASN 86 - H ASP 125 H ASP 125 - HE3 LYS 141 H ASP 125 - HB2 PHE 147 QD PHE 26 - QD1 LEU 87 Upper HB THR 39 - HG LEU 47 4.03 17 2.75 4.64 ++ +++ ++*+++++ ++++ peak 384 HB2 SER 44 - HG LEU 47 HG LEU 47 - HA VAL 79 HG LEU 47 - HA GLU 91 HG LEU 47 - HA LEU 138 HD2 HIS 18 - HZ3 TRP 118 Upper H ALA 45 - HB2 PHE 53 3.63 6 1.10 2.91 + *+ + + + peak 80 H GLY 49 - HB2 PHE 53 H GLN 51 - HB2 PHE 53 HB2 PHE 53 - H GLY 161 QD TYR 95 - HZ3 TRP 118 Upper H ALA 45 - HB3 PHE 53 3.92 10 1.44 2.83 + * ++ + + + +++ peak 1896 H GLY 49 - HB3 PHE 53 H GLN 51 - HB3 PHE 53 HB3 PHE 53 - H GLY 161 H HIS 5 - HA GLU 94 H VAL 43 - HA GLU 94 H LEU 84 - HA GLU 94 Upper QD PHE 50 - HB2 ASN 86 3.95 8 1.43 3.73 + *++ + + ++ peak 1425 HB2 ASN 86 - HD21 ASN 162 H GLU 83 - H ASP 163 H GLU 85 - H ASP 163 Upper HB3 GLN 51 - HA ASN 86 3.97 7 1.43 3.29 + ++++* + peak 229 HA ASP 37 - HG LEU 87 HA ASN 86 - HG LEU 87 Upper HG12 ILE 63 - H LEU 84 3.62 7 0.97 2.92 + ++ +++ * peak 1607 H LEU 84 - HB3 LEU 87 H LEU 84 - HG13 ILE 102 H LEU 84 - HG3 LYS 148 HB3 ASN 86 - HD21 ASN 162 VdW HA LEU 15 - CD1 LEU 15 2.60 9 0.18 0.39 +++ + * + ++ + VdW N HIS 18 - CD2 HIS 18 3.05 11 0.25 0.57 *+++++ + + +++ VdW N HIS 18 - HD2 HIS 18 2.45 7 0.14 0.50 *++ ++ + + VdW HA ASN 19 - O LEU 76 2.30 6 0.13 0.50 +* + + + + VdW N VAL 20 - O LEU 76 2.75 6 0.17 0.74 + + * +++ VdW HA VAL 20 - O LYS 114 2.30 8 0.16 0.55 ++++ ++* + VdW O VAL 20 - N LEU 76 2.75 8 0.19 0.73 + + + ++ +*+ VdW N PHE 21 - O LYS 114 2.75 7 0.17 0.72 ++ +* ++ + VdW HB VAL 22 - CB PHE 26 2.60 6 0.11 0.37 + ++ + + * VdW CG2 VAL 22 - C VAL 22 2.90 7 0.15 0.33 ++ + + *++ VdW O PHE 26 - CB GLN 27 2.90 6 0.12 0.59 *+ + + + + VdW HA ASP 28 - CD PRO 29 2.60 11 0.18 0.31 + + +++++ +* ++ VdW CG2 ILE 32 - C ILE 32 2.90 12 0.19 0.33 ++ + +* ++++ ++ + VdW O ILE 32 - N MET 35 2.75 7 0.15 0.47 + + + + +* + VdW H VAL 34 - CG2 VAL 34 2.55 7 0.11 0.36 + + +* + + + VdW O LEU 36 - CB ASP 37 2.90 14 0.35 0.59 + +++ ++* +++ ++++ VdW O LEU 36 - HB2 ASP 37 2.30 6 0.11 0.56 + +++ + * VdW O LEU 36 - HB3 ASP 37 2.30 7 0.12 0.45 * +++ + + + VdW HA THR 39 - CD PRO 40 2.60 9 0.20 0.30 +++ + +* + + + VdW CG2 ILE 42 - C ILE 42 2.90 15 0.23 0.33 ++++++++ ++*+ + + + VdW CG2 ILE 42 - HB3 LYS 74 2.60 8 0.14 0.49 + + + + + + *+ VdW CG1 VAL 43 - C VAL 43 2.90 6 0.10 0.33 + * ++++ VdW CG2 VAL 43 - C VAL 43 2.90 6 0.08 0.33 + * + + ++ VdW O VAL 43 - N VAL 75 2.75 6 0.13 0.47 ++ ++ * + VdW CG2 THR 46 - C THR 46 2.90 9 0.15 0.31 +++ + * + + + + VdW CD1 LEU 47 - C LEU 47 3.10 9 0.18 0.48 +*+++ + ++ + VdW CD1 LEU 47 - O LEU 47 2.90 7 0.26 0.98 + + *+ + + + VdW N GLN 51 - O VAL 64 2.75 7 0.19 0.67 + + * + +++ VdW O GLN 51 - CD1 ILE 63 2.90 8 0.16 0.51 + ++++ + +* VdW C ARG 58 - H TYR 60 2.45 6 0.08 0.28 +*++ + + VdW CB TYR 60 - CD PRO 61 3.20 17 0.39 0.78 +++++ ++++++++ *++ + VdW CB TYR 60 - HD2 PRO 61 2.60 9 0.23 0.70 +*++ +++ + + VdW CB TYR 60 - HD3 PRO 61 2.60 6 0.13 0.52 + + + * + + VdW HB2 TYR 60 - CD PRO 61 2.60 7 0.18 0.90 * + + ++ + + VdW HB3 TYR 60 - CD PRO 61 2.60 8 0.15 0.43 + + +++ + * + VdW HB3 TYR 60 - HD2 PRO 61 2.00 6 0.14 0.58 + ++ + + * VdW N CYS 62 - SG CYS 62 3.05 7 0.11 0.26 + + *+ +++ VdW CG2 ILE 63 - C ILE 63 2.90 9 0.15 0.33 ++ + *++ + + + VdW N VAL 64 - CG1 VAL 64 2.85 6 0.09 0.24 ++ + + *+ VdW HA VAL 64 - CD PRO 65 2.60 8 0.13 0.28 + +++ +* + + VdW CG2 VAL 64 - C VAL 64 2.90 8 0.13 0.33 +++ + + + *+ VdW C VAL 64 - H SER 66 2.45 7 0.11 0.38 +++ + + *+ VdW N VAL 71 - CG2 VAL 71 2.85 8 0.12 0.23 ++ + * + ++ + VdW CG1 VAL 75 - C VAL 75 2.90 6 0.11 0.32 *+ ++ + + VdW CG1 VAL 79 - HB2 LEU 84 2.60 6 0.14 0.54 + + + ++ * VdW C THR 80 - H ASP 82 2.45 7 0.13 0.35 + ++ + ++ * VdW O SER 81 - CB GLU 85 2.90 6 0.10 0.43 ++ ++ * + VdW C GLU 83 - H GLU 85 2.45 6 0.12 0.48 + + * + + + VdW CG2 THR 99 - C THR 99 2.90 11 0.20 0.32 ++ +++* +++ ++ VdW O ILE 102 - N MET 111 2.75 7 0.13 0.43 + +* + ++ + VdW O ILE 102 - O MET 111 2.60 9 0.19 0.50 * + + ++ ++ + + VdW O VAL 103 - C ARG 104 2.80 10 0.20 0.48 ++ + ++++*+ + VdW O ASP 106 - CB ASN 107 2.90 15 0.30 0.57 +++ +++++++++ ++* VdW O ASP 106 - HB2 ASN 107 2.30 9 0.16 0.50 ++++ + + ++* VdW O ASP 106 - ND2 ASN 107 2.75 6 0.08 0.41 ++ + * + + VdW CA ASN 107 - HD21 ASN 107 2.55 6 0.13 0.34 + + *+ + + VdW O ASN 120 - C LYS 121 2.80 10 0.19 0.46 ++*+ ++ + ++ + VdW N ASP 123 - CD PRO 124 3.05 6 0.14 0.55 + + + *++ VdW CZ2 TRP 130 - HA PHE 132 2.60 6 0.10 0.38 + + + + + * VdW C ARG 137 - H HIS 139 2.45 7 0.14 0.41 +* + +++ + VdW C LEU 138 - H LYS 140 2.45 7 0.15 0.58 ++++ ++ * VdW CG2 ILE 144 - C ILE 144 2.90 16 0.25 0.33 +++ ++ ++* +++ +++++ VdW O ILE 144 - N PHE 147 2.75 6 0.11 0.35 ++ * ++ + VdW CG2 ILE 150 - C ILE 150 2.90 20 0.31 0.33 +++++++++++++*++++++ Angle PHI HIS 18 -140.00 -116.00 7 4.97 23.22 + + *+++ + Angle PSI HIS 18 139.00 159.00 12 8.78 22.97 ++++ ++ *+++ + + Angle PHI ASN 19 -143.00 -93.00 8 8.05 41.40 + ++ + + +*+ Angle PHI VAL 20 -132.00 -112.00 10 6.50 18.21 + ++++ +*++ + Angle PSI VAL 20 124.00 144.00 11 11.85 33.17 + + +++ ++++ +* Angle PHI PHE 21 -129.00 -95.00 12 10.28 38.11 + * ++ ++++++ ++ Angle PSI PHE 21 124.00 148.00 9 7.64 32.18 +*++ ++ +++ Angle PHI VAL 22 -139.00 -103.00 10 7.09 24.12 * ++ + ++ +++ + Angle PHI SER 25 -81.00 -59.00 8 4.66 14.34 *+++ +++ + Angle PSI SER 25 -36.00 -8.00 12 6.52 27.89 ++ + ++*++ + +++ Angle PHI ASP 30 -76.00 -56.00 8 3.94 10.98 + *+ + + + + + Angle PHI VAL 31 -76.00 -56.00 11 8.00 63.79 + ++ + * ++ ++++ Angle PSI VAL 31 -53.00 -31.00 10 6.75 33.21 ++ ++++ + + + * Angle PHI ILE 32 -73.00 -53.00 11 6.65 30.85 + ++ + + +++ ++* Angle PSI ILE 32 -54.00 -34.00 15 9.82 18.95 + *++ ++++ + ++++++ Angle PHI ASN 33 -74.00 -54.00 14 10.03 27.52 + + + ++++ + +++++* Angle PSI ASN 33 -52.00 -32.00 8 7.10 37.19 +++ + ++ + * Angle PSI VAL 34 -51.00 -31.00 9 5.59 29.86 *+ + + ++++ + Angle PHI MET 35 -78.00 -58.00 18 20.15 66.08 ++ +++++++ ++++++++* Angle PSI MET 35 -35.00 -15.00 18 17.55 33.60 ++*++++++++++ +++++ Angle PHI LEU 36 -115.00 -83.00 16 14.53 33.85 +++ +++ +++++ ++*++ Angle PSI LEU 36 -34.00 10.00 19 19.06 38.21 +++++++++ ++++++++*+ Angle PSI THR 39 120.00 150.00 18 24.47 38.06 + ++++*+++ +++++++++ Angle PSI PRO 40 116.00 150.00 19 12.06 22.66 +++++++++ *+++++++++ Angle PHI ILE 42 -128.00 -98.00 8 7.28 23.57 + + + * + +++ Angle PSI ILE 42 123.00 143.00 8 8.63 34.13 * + + + ++++ Angle PHI VAL 43 -130.00 -110.00 13 7.10 16.21 ++ ++++ +++*+ + + Angle PSI VAL 43 120.00 146.00 8 5.19 19.00 + + + + +*++ Angle PHI SER 44 -115.00 -77.00 15 11.77 28.98 ++ + ++++++++* ++ + Angle PSI SER 44 123.00 143.00 7 5.75 23.14 + +*++ + + Angle PHI ALA 45 -145.00 -125.00 11 6.65 23.68 * +++ ++++ +++ Angle PSI ALA 45 131.00 157.00 18 19.84 32.80 ++++++ * +++++++++++ Angle PSI THR 46 118.00 138.00 13 8.68 27.84 + + +* ++++++++ + Angle PHI LEU 47 -131.00 -99.00 7 6.80 36.11 +* ++++ + Angle PSI LEU 47 94.00 144.00 13 16.15 47.02 +++ ++*+ ++ + + ++ Angle PSI PRO 48 133.00 151.00 14 12.94 45.23 + +++++ ++++++ *+ Angle PHI PHE 50 -149.00 -103.00 9 8.66 30.43 +++ ++ + +* + Angle PSI PHE 50 145.00 175.00 12 19.33 77.57 ++++ ++ ++ + +*+ Angle PHI GLN 51 -165.00 -141.00 6 7.82 52.48 + + + + *+ Angle PSI GLN 51 141.00 167.00 11 7.86 22.50 ++ * +++ ++ ++ + Angle PHI ARG 52 -138.00 -98.00 16 16.56 41.09 ++ +*++++ +++++ +++ Angle PSI ARG 52 114.00 144.00 10 13.25 47.11 + ++ +* ++ + + + Angle PHI PHE 53 -129.00 -87.00 11 7.81 27.32 ++ + *+ +++ +++ Angle PSI PHE 53 111.00 141.00 10 6.34 18.89 + ++ +*++ ++ + Angle PHI CYS 62 -151.00 -119.00 14 8.98 35.65 +++++++ + * +++ + + Angle PSI CYS 62 148.00 170.00 20 22.47 54.74 +++++++++*++++++++++ Angle PHI ILE 63 -151.00 -129.00 15 24.41 73.80 +++ ++ +++ +++ +++* Angle PHI VAL 64 -148.00 -124.00 14 14.77 55.94 + ++++ +*++++ +++ Angle PSI VAL 64 143.00 169.00 6 6.83 60.03 + + * + ++ Angle PHI GLU 67 -73.00 -53.00 10 8.92 37.50 ++ + + ++ * ++ + Angle PSI GLU 67 -36.00 -14.00 8 7.14 50.82 * + + + + ++ + Angle PSI LYS 68 -4.00 20.00 15 16.72 50.70 ++++++ * ++ ++++++ Angle PSI VAL 71 120.00 142.00 11 8.91 24.75 ++ + *+++ ++ ++ Angle PHI HIS 72 -126.00 -76.00 12 10.63 31.09 ++++ + + +*++++ Angle PHI LYS 74 -145.00 -123.00 9 8.30 53.71 ++ ++ *++++ Angle PSI LYS 74 142.00 168.00 8 7.22 32.96 + +++ +*+ + Angle PHI VAL 75 -136.00 -112.00 9 7.48 28.97 + + + ++ *++ + Angle PSI VAL 75 117.00 149.00 11 11.40 46.35 ++ + +++++*+ + Angle PHI LEU 76 -116.00 -96.00 14 11.09 32.83 +++++ +++ +*++ ++ Angle PSI LEU 76 104.00 128.00 11 10.28 40.04 + + ++ + * + ++++ Angle PSI THR 80 159.00 179.00 11 7.95 26.56 ++ ++ + +*++ ++ Angle PSI SER 81 -48.00 -28.00 15 11.01 29.01 ++ +++++*+ +++ +++ Angle PHI ASP 82 -77.00 -57.00 11 10.32 48.78 + +++ + + +* + ++ Angle PSI ASP 82 -52.00 -32.00 10 8.64 50.56 ++ + +++ ++ * + Angle PHI GLU 83 -78.00 -58.00 15 13.14 45.66 ++ +++++++ ++++* + Angle PSI GLU 83 -49.00 -29.00 13 8.69 20.70 + ++++ + + *+++++ Angle PHI LEU 84 -73.00 -53.00 11 11.62 94.65 + + +* + ++++++ Angle PSI LEU 84 -51.00 -31.00 12 13.06 67.42 + ++ + ++++ + * + + Angle PHI GLU 85 -74.00 -54.00 10 8.40 35.37 + *++++ +++ + Angle PSI GLU 85 -50.00 -30.00 9 5.89 25.16 + ++ ++ +++ * Angle PHI ASN 86 -75.00 -55.00 9 12.75 49.70 + + + + +*+++ Angle PSI ASN 86 -49.00 -29.00 12 13.91 58.95 +++ + ++ ++ ++*+ Angle PHI LEU 87 -71.00 -51.00 9 7.98 25.80 ++* + ++ + + + Angle PSI LEU 87 -52.00 -32.00 13 10.75 38.91 + + + +++*++ ++++ Angle PHI ASP 88 -73.00 -53.00 12 8.80 25.79 *++++ + ++++ ++ Angle PSI ASP 88 -48.00 -28.00 9 6.73 42.16 ++ + ++ ++ +* Angle PHI ALA 89 -77.00 -57.00 11 10.65 46.88 + ++ +++ + + ++* Angle PSI ALA 89 -47.00 -27.00 13 18.93 73.30 + +++ ++++* +++ + Angle PHI VAL 90 -71.00 -51.00 14 15.18 43.30 +++ +++ +*++ +++ + Angle PSI VAL 90 -57.00 -37.00 12 16.66 48.35 + ++ +++*+ ++ ++ Angle PHI GLU 91 -77.00 -57.00 14 20.89 101.95 + + + +++++ ++++ +* Angle PSI GLU 91 -44.00 -22.00 10 7.29 45.45 + + + + +++++* Angle PHI TYR 95 -144.00 -114.00 10 8.02 34.26 + ++ + *++ + ++ Angle PSI TYR 95 142.00 162.00 14 17.18 49.01 +++ + *++ +++ ++++ Angle PHI GLU 96 -157.00 -125.00 16 18.52 43.52 ++ +++++++++*++++ Angle PSI GLU 96 129.00 163.00 14 14.09 47.74 ++ +++ +++* +++++ Angle PHI ARG 97 -112.00 -88.00 7 10.73 65.74 + + +* + + + Angle PSI ARG 97 115.00 135.00 11 14.85 75.68 + + ++ ++ + +++ * Angle PHI VAL 98 -133.00 -111.00 11 13.26 43.90 + + + ++ ++ +++* Angle PSI VAL 98 130.00 160.00 14 10.73 25.01 + ++ ++ ++*+++ + ++ Angle PHI THR 99 -111.00 -87.00 11 12.03 46.10 ++ + + +++ *+++ Angle PSI THR 99 123.00 143.00 6 8.55 76.94 + + ++ * + Angle PHI VAL 100 -145.00 -125.00 9 8.09 31.17 + + + ++* ++ + Angle PSI VAL 100 151.00 171.00 12 7.75 23.17 ++++ ++++ +* ++ Angle PHI ILE 102 -142.00 -112.00 10 4.90 18.40 ++* + + ++++ + Angle PSI ILE 102 141.00 165.00 13 7.97 22.73 + *+++ +++ ++ ++ + Angle PHI VAL 103 -130.00 -84.00 19 16.59 32.37 +++++++++++++++*+++ Angle PSI VAL 103 108.00 152.00 8 4.26 21.01 + + + + ++* + Angle PHI GLU 105 -69.00 -49.00 6 3.99 14.53 + + + * + + Angle PSI GLU 105 -55.00 -35.00 12 5.07 12.78 + ++ ++ +* +++ ++ Angle PHI ASP 106 -81.00 -55.00 8 6.01 35.66 + + ++ * + + + Angle PSI ASP 106 -48.00 -12.00 6 4.44 25.49 ++ + * + + Angle PHI SER 108 -88.00 -50.00 13 7.93 17.59 ++ +*+ +++ +++ ++ Angle PSI SER 108 -45.00 9.00 6 4.14 13.62 + + ++ * + Angle PHI LYS 110 -109.00 -67.00 6 4.28 20.79 + + +* + + Angle PSI MET 111 134.00 160.00 10 7.14 27.73 + + + + + + *+++ Angle PHI ALA 112 -119.00 -87.00 9 5.28 12.86 ++ ++*+ + + + Angle PSI ALA 112 118.00 144.00 9 9.41 66.48 + +*+ +++ + + Angle PHI VAL 113 -146.00 -126.00 6 6.92 60.57 * + + + + + Angle PSI VAL 113 147.00 173.00 11 7.68 19.44 ++ + + ++++ + + * Angle PSI LYS 114 134.00 164.00 7 5.93 31.97 * + ++++ + Angle PHI THR 115 -156.00 -112.00 9 6.23 26.02 + + ++ ++ *+ + Angle PSI THR 115 123.00 171.00 6 3.37 18.80 * + + +++ Angle PHI TYR 116 -125.00 -97.00 10 7.87 22.20 ++ + +++ + *++ Angle PSI TYR 116 109.00 139.00 7 5.80 36.97 ++ + ++ +* Angle PHI MET 117 -141.00 -103.00 8 5.51 25.75 ++ + *++ + + Angle PSI MET 117 113.00 151.00 14 15.34 37.08 ++ ++ ++ +++ ++ ++* Angle PHI TRP 118 -103.00 -65.00 10 9.79 47.92 ++ + +*++ + ++ Angle PSI TRP 118 113.00 153.00 12 11.29 65.84 + +* + ++++++++ Angle PHI ILE 119 -78.00 -50.00 19 22.38 72.81 +++++*++++++++ +++++ Angle PSI ILE 119 -43.00 -21.00 6 7.10 34.51 + + + *+ + Angle PHI ASN 120 -107.00 -79.00 12 8.22 32.12 + ++++++ *++ + + Angle PHI PHE 132 -73.00 -53.00 7 5.02 17.20 + + *+ + ++ Angle PSI PHE 132 -54.00 -34.00 7 4.23 15.17 + + ++ ++ * Angle PHI GLU 133 -73.00 -53.00 8 5.56 21.69 + + + + ++ +* Angle PHI GLU 134 -77.00 -57.00 7 4.12 14.29 + + *++++ Angle PSI GLU 134 -50.00 -30.00 9 8.12 47.23 +++++ * +++ Angle PHI TRP 135 -74.00 -54.00 8 4.73 18.59 * ++ + + + + + Angle PSI TRP 135 -52.00 -32.00 11 10.24 73.73 + +*+ + ++++ ++ Angle PHI LYS 136 -72.00 -52.00 8 11.42 62.86 ++ +++ * + + Angle PSI LYS 136 -49.00 -29.00 12 9.98 26.23 + ++ * + ++++ +++ Angle PHI ARG 137 -74.00 -54.00 15 13.55 79.77 +++++++ +++ + + ++* Angle PSI ARG 137 -51.00 -31.00 9 13.41 70.34 ++ + + ++ + *+ Angle PHI LEU 138 -91.00 -71.00 10 9.04 37.91 + * +++++ + ++ Angle PSI LEU 138 -45.00 -15.00 9 10.28 36.07 ++++ + + + * + Angle PHI HIS 139 -115.00 -77.00 10 6.93 30.94 *+++ + +++ + + Angle PSI HIS 139 -37.00 5.00 14 8.73 22.14 *+ + + ++++ +++ +++ Angle PHI LYS 140 -70.00 -50.00 7 5.83 26.55 + ++ + *+ + Angle PSI LYS 140 -53.00 -33.00 9 10.19 81.04 + + ++*+ +++ Angle PHI LYS 141 -75.00 -55.00 13 13.66 72.87 +++ ++++ + *+ +++ Angle PHI PHE 143 -76.00 -56.00 8 3.65 15.57 + + + *++++ Angle PSI ILE 144 -54.00 -34.00 16 12.33 40.74 +++ +++++ *+ ++++++ Angle PHI GLU 145 -72.00 -52.00 15 7.74 21.18 +++ +++++++* + +++ Angle PHI THR 146 -81.00 -61.00 7 4.61 20.90 + + +* + + + Angle PHI LYS 149 -74.00 -54.00 10 4.72 10.17 + ++*+ + ++++ Angle PSI LYS 149 -49.00 -29.00 10 5.18 13.16 ++++ + *+ + ++ 15 violated distance constraints. 146 violated angle constraints. RMSDs for residues 18..124: Average backbone RMSD to mean : 4.84 +/- 1.58 A (3.29..8.91 A; 20 structures) Average heavy atom RMSD to mean : 5.51 +/- 1.53 A (3.91..9.33 A; 20 structures)