Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 151.44 55 0.2734 2.46 145 95.2 0.65 7612.0702 53.63 2 152.07 60 0.2754 2.54 127 90.0 0.67 8412.4199 57.41 3 154.91 54 0.2725 2.35 129 88.2 0.70 8913.0035 63.41 4 156.28 54 0.2621 1.95 108 83.0 0.58 9114.3967 81.72 5 156.58 59 0.2786 1.98 110 81.3 0.50 9113.5791 43.68 6 157.63 61 0.2897 1.80 151 93.8 0.81 7811.4116 52.73 7 158.35 54 0.2719 2.19 118 85.3 0.59 8513.8670 72.91 8 159.78 64 0.2942 2.54 132 92.1 0.52 7511.9575 59.88 9 161.30 60 0.2711 2.01 118 87.2 0.48 8714.4396 54.43 10 161.76 60 0.2814 2.09 140 97.4 0.54 8212.9931 52.20 11 162.54 58 0.2817 1.91 126 95.6 0.69 8813.2282 52.31 12 163.02 64 0.2825 2.07 150 94.5 0.64 8912.8614 59.52 13 168.56 71 0.2943 2.59 125 91.0 0.59 9913.5014 53.36 14 168.67 60 0.2878 1.85 116 85.6 0.64 8814.0469 61.87 15 169.01 66 0.2881 2.33 136 92.8 0.63 10113.5216 43.66 16 169.58 63 0.2942 2.30 126 92.5 0.74 8413.4054 70.46 17 170.90 64 0.2944 2.26 130 95.0 0.60 9113.4879 65.70 18 171.66 69 0.2954 2.63 143 90.8 0.53 8413.5593 61.43 19 171.94 55 0.2976 2.51 141 98.3 0.59 9112.8078 51.31 20 172.62 52 0.2708 1.91 150 102.9 0.64 8814.6750 61.74 Ave 162.93 60 0.2829 2.21 131 91.6 0.61 8713.2616 58.67 +/- 6.79 5 0.0103 0.27 13 5.3 0.08 6 0.8307 9.14 Min 151.44 52 0.2621 1.80 108 81.3 0.48 7511.4116 43.66 Max 172.62 71 0.2976 2.63 151 102.9 0.81 10114.6750 81.72 Cut 0.60 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper H ASN 19 - HB3 ARG 97 4.59 13 0.66 1.42 + ++ ++ ++++*+++ peak 216 Upper H ASN 19 - HB3 TYR 116 4.11 9 0.45 1.26 + +* + +++ ++ peak 213 Upper H ASN 19 - HB3 MET 117 5.50 9 0.70 2.19 + ++* + + + ++ peak 217 Upper HA ASN 19 - HD3 ARG 97 4.63 9 0.47 1.10 * + ++++ + + + peak 114 Upper HD21 ASN 19 - HB3 TYR 116 4.24 7 0.44 1.17 + + + *+++ peak 1695 Upper H VAL 20 - HB3 TYR 116 4.09 10 0.58 1.23 ++ ++* + + +++ peak 800 Upper HB2 ASP 30 - HB VAL 31 3.62 15 1.06 1.67 + ++++++++*+ +++ + peak 44 Upper HB2 ASP 30 - QG1 VAL 31 3.87 12 0.62 1.35 + ++*+ +++ + ++ + peak 156 Upper HB2 ASP 30 - H ILE 32 4.01 9 0.53 0.80 ++++ * ++++ peak 1296 Upper H VAL 31 - HA ILE 32 3.93 19 1.01 1.44 ++++++++++*++++++++ peak 1436 Upper HB VAL 31 - HG12 ILE 32 3.43 8 0.51 1.18 ++ + ++ * + + peak 198 Upper HB VAL 31 - QG1 VAL 34 3.28 6 0.55 0.98 * + + ++ + peak 1464 Upper QG1 VAL 31 - H ILE 150 3.72 6 0.44 0.94 + + ++ * + peak 1335 Upper QG1 VAL 31 - HB ILE 150 3.18 7 0.55 1.17 + + + + + + * peak 1136 Upper HA ILE 32 - H ASP 123 4.01 14 1.09 2.54 +*+++ + + ++ +++++ peak 717 Upper H ASN 33 - QB ALA 122 3.94 15 0.82 1.80 ++++++ + + *+++ +++ peak 347 Upper H ASN 33 - HB2 PRO 124 3.43 16 0.80 1.40 +++ +*+++ +++++ +++ peak 348 Upper HB2 ASN 33 - H ASP 125 3.53 12 0.80 1.45 + + ++ + ++ * +++ + peak 1093 Upper HB3 ASN 33 - H ASP 125 3.35 12 0.64 1.18 +* + ++ +++++++ peak 1091 Upper H VAL 34 - HA ASP 123 3.95 14 0.98 2.46 * + ++++++++++ ++ peak 394 Upper HA VAL 34 - H ASP 123 4.89 12 0.74 1.72 + *++++ ++++ ++ peak 2156 Upper QG1 VAL 34 - HA GLU 133 4.49 12 1.01 2.59 ++ + ++ + * +++++ peak 966 Upper HB3 PRO 40 - H THR 80 4.28 8 0.58 1.91 ++ + +++ + * peak 875 Upper HA GLU 41 - H VAL 79 3.90 10 0.61 1.18 *++ + + + +++ + peak 1483 Upper H ILE 42 - HG13 ILE 42 3.33 12 0.59 0.97 + + + +++ +* ++ ++ peak 55 Upper HG13 ILE 42 - H SER 44 4.31 6 0.44 0.84 + ++ + +* peak 73 Upper H ALA 45 - H THR 46 3.80 6 0.40 0.71 *+ + + + + peak 507 Upper H LEU 47 - QG2 VAL 71 3.35 6 0.50 1.96 * + + ++ + peak 665 Upper H LEU 47 - H VAL 100 5.01 10 0.68 2.02 + + + + *+++++ peak 850 Upper HB3 LEU 47 - HA PHE 50 5.19 10 0.50 1.40 + + ++ ++* + ++ peak 1520 Upper HG LEU 47 - H PHE 50 4.18 10 0.69 1.35 ++++ ++ ++ + * peak 1734 Upper QD1 LEU 47 - HB3 PRO 48 4.27 6 0.38 1.40 + + + + * + peak 1319 Upper QD2 LEU 47 - H PHE 50 4.06 11 0.70 1.36 + + ++*++ ++ ++ peak 1529 Upper HD2 PRO 48 - QG2 VAL 71 4.03 6 0.36 0.85 * + +++ + peak 1554 HD3 PRO 48 - QG2 VAL 71 Upper HD2 PRO 48 - H VAL 100 4.48 11 0.77 2.01 + + +* + ++ ++ ++ peak 846 HD3 PRO 48 - H VAL 100 Upper H GLY 49 - HG3 GLU 85 4.08 6 0.35 1.25 + + + + + * peak 1180 Upper H PHE 50 - HB3 GLN 51 4.38 10 0.63 1.20 + +++ ++++ *+ peak 1732 Upper H PHE 50 - H SER 66 4.02 9 0.60 1.14 ++ *+ + ++ + + peak 359 Upper H GLN 51 - HG2 GLN 51 3.93 6 0.35 0.67 * +++ + + peak 1170 Upper H GLN 51 - QG2 VAL 71 4.43 9 0.66 2.33 + + ++ ++*+ + peak 1169 Upper H LYS 68 - HA GLU 85 3.56 9 0.47 1.24 ++ * ++ + +++ peak 525 Upper H GLY 69 - HA LEU 84 4.20 9 0.74 2.11 ++ + + + + ++* peak 633 Upper QG2 VAL 79 - H SER 81 4.17 10 0.57 1.19 +++*++ + + + + peak 486 Upper H THR 80 - H LEU 84 4.65 14 0.79 1.33 + ++++++ +*+++ ++ peak 206 Upper H LEU 84 - QG2 VAL 90 3.65 9 0.53 0.92 + +++ + *++ + peak 197 Upper H GLU 85 - QG1 VAL 90 4.47 12 0.58 0.97 + *++ + ++ ++ +++ peak 1736 Upper H GLU 85 - QG2 VAL 90 3.90 13 0.68 1.27 ++ ++++ *+ +++ ++ peak 470 Upper H TYR 95 - QG2 ILE 119 4.89 7 0.49 1.79 ++ +++ +* peak 1027 Upper H GLU 96 - H ILE 119 4.87 8 0.51 2.30 ++ + ++ *++ peak 889 Upper H GLU 96 - HA ASN 120 4.70 12 0.75 1.48 ++++++ + * + +++ peak 888 Upper HB2 GLU 96 - HG13 ILE 119 4.87 7 0.38 1.15 ++ +* + + + peak 2027 Upper H ARG 97 - HA VAL 98 4.30 20 1.04 1.30 +*++++++++++++++++++ peak 1064 Upper HA ARG 97 - HB VAL 113 4.03 7 0.43 1.14 + +++ ++ * peak 437 Upper HG3 ARG 97 - H THR 115 4.51 6 0.33 1.23 ++ ++ * + peak 556 Upper H VAL 98 - QG2 VAL 113 3.31 6 0.48 1.36 ++ *+ + + peak 110 Upper H ARG 104 - HG2 LYS 141 3.68 14 0.92 2.63 ++ ++ ++ + + +++*++ peak 7 Upper HA ARG 104 - H ASP 106 3.56 13 0.80 1.53 ++ + ++ *+ ++++ ++ peak 450 Upper H GLU 105 - HB3 ASN 107 4.16 14 0.71 1.15 + ++++ *++ +++ ++ + peak 1235 Upper H ASP 106 - HB3 ASN 107 3.72 11 0.62 0.93 + ++ * +++ + ++ + peak 446 Upper H ASP 106 - HB3 GLU 145 3.59 12 0.69 1.25 + + *+ + + ++++++ peak 447 Upper H ASP 106 - HG2 GLU 145 4.22 7 0.52 1.44 + ++* ++ + peak 458 Upper HA ASP 106 - H SER 108 2.99 12 0.75 1.22 + ++++ *+ ++ +++ peak 604 Upper H SER 108 - HD3 LYS 141 4.80 16 1.03 1.84 + ++*+++++ ++++++ + peak 613 Upper H VAL 113 - HG13 ILE 119 3.79 8 0.67 1.61 + + +* ++++ peak 898 Upper HA LYS 114 - HG13 ILE 119 5.50 11 0.63 1.29 *++++ ++ + +++ peak 2029 Upper HA LYS 121 - H ASP 123 5.11 10 0.60 1.18 ++* + ++ ++ ++ peak 739 Upper HB3 LYS 121 - H ASP 123 4.04 6 0.48 1.17 + +++* + peak 735 Upper HD3 LYS 121 - H ASP 123 3.63 6 0.51 1.23 ++ + ++* peak 728 Upper HB2 PRO 124 - H ASP 125 3.68 10 0.66 1.00 * +++ + + +++ + peak 1092 Upper HA PHE 132 - H TRP 135 3.60 8 0.41 1.37 + +* + + + ++ peak 715 Upper HB2 PHE 132 - HG2 GLU 145 4.53 6 0.37 2.13 + ++ + + * peak 1166 Upper H GLU 133 - HB3 GLU 134 4.07 12 0.81 1.47 ++ ++ +++++* ++ peak 1308 Upper H GLU 133 - H LYS 149 4.03 12 0.70 1.61 + +++ ++++ ++*+ peak 1304 Upper H GLU 133 - HA ILE 150 3.28 13 0.73 1.27 *+++++ ++ ++ + ++ peak 1299 Upper HA GLU 133 - H PHE 147 4.65 7 0.73 2.12 + + + *+++ peak 819 Upper HA GLU 133 - H LYS 149 4.10 7 0.40 1.14 + *++ + + + peak 958 Upper HA GLU 133 - HA ILE 150 2.81 16 0.97 1.88 +++++ + ++*+ ++++ ++ peak 962 Upper H GLU 134 - HG3 GLU 145 4.34 14 0.95 2.00 + + ++++++++++ *+ peak 181 Upper HA GLU 134 - H ARG 137 3.66 9 0.52 1.07 + + * ++ + +++ peak 2111 Upper H ARG 137 - H HIS 139 4.44 7 0.35 1.15 + + + *++ + peak 541 Upper H LEU 138 - HD2 LYS 141 4.18 11 0.75 2.09 + ++ + +*++ + ++ peak 1005 Upper H LYS 140 - HD3 LYS 141 4.71 7 0.49 0.85 * +++ + + + peak 764 Upper H ILE 144 - HG3 GLU 145 4.82 6 0.46 1.64 + + + + *+ peak 1170 Upper QD1 ILE 144 - HG2 GLU 145 3.77 11 0.63 1.24 + ++++ ++ +*+ + peak 388 Upper HA LYS 148 - H ILE 150 3.92 7 0.45 1.35 ++++* + + peak 1337 VdW N ASN 19 - ND2 ASN 19 2.90 8 0.17 0.45 + + ++*+ ++ VdW ND2 ASN 19 - N MET 117 2.90 8 0.19 0.59 +++ *+ ++ + VdW HD21 ASN 19 - HA TYR 116 1.95 7 0.12 0.32 + + ++* ++ VdW O PRO 29 - HB ILE 32 2.30 6 0.13 0.45 + *++ + + VdW O VAL 31 - CG2 VAL 34 2.90 7 0.16 0.47 *+ ++ + + + VdW HB ILE 32 - HD3 PRO 124 2.00 6 0.14 0.54 * + ++ ++ VdW CG2 ILE 32 - CD1 ILE 32 3.00 8 0.17 0.30 + + +*+++ + VdW N ASN 33 - HD3 PRO 124 2.45 7 0.16 0.41 + * ++ ++ + VdW H ASN 33 - HD3 PRO 124 1.95 7 0.18 0.64 ++ + + * ++ VdW HA ASN 33 - N ASP 123 2.45 11 0.25 0.68 + * +++ + ++ + ++ VdW HA ASN 33 - H ASP 123 1.95 8 0.18 0.70 + * + ++ + + + VdW CB ASN 33 - HD2 PRO 124 2.60 6 0.13 0.41 + ++ * + + VdW HB3 ASN 33 - N ASP 123 2.45 6 0.12 0.60 + + + +* + VdW C VAL 34 - H LEU 36 2.45 6 0.12 0.38 +*+ + + + VdW HA THR 39 - CD PRO 40 2.60 10 0.19 0.30 + *+ + ++ ++++ VdW CG2 THR 39 - C THR 39 2.90 8 0.13 0.32 * ++ +++ + + VdW CG1 ILE 42 - C ILE 42 2.90 7 0.18 0.33 ++ + + + *+ VdW CG1 ILE 42 - O ILE 42 2.90 6 0.12 0.39 *+ + + + + VdW HG12 ILE 42 - C ILE 42 2.50 9 0.15 0.53 + + + + + *+++ VdW HA LEU 47 - CD PRO 48 2.60 16 0.25 0.31 + ++++++++++ +*+++ VdW CD1 LEU 47 - C LEU 47 3.10 11 0.23 0.49 + +++ + ++ + + + * VdW CD1 LEU 47 - HB2 PHE 50 2.60 7 0.14 0.53 + +++*+ + VdW CG GLN 51 - C GLN 51 2.90 8 0.11 0.24 +++ * + + + + VdW HA VAL 64 - CD PRO 65 2.60 8 0.15 0.30 ++ + + + + * + VdW CG1 VAL 79 - C VAL 79 2.90 8 0.13 0.33 + ++ + +* ++ VdW CG1 VAL 79 - N THR 80 3.05 7 0.11 0.35 ++ + ++ + * VdW HA GLU 83 - CG2 VAL 90 2.60 6 0.12 0.47 ++ * + + + VdW C GLU 85 - H LEU 87 2.45 11 0.21 0.42 ++ *+ ++ + + +++ VdW C ASN 86 - N ASP 88 2.95 8 0.16 0.28 ++ + + ++ * + VdW O ASN 86 - C LEU 87 2.80 16 0.25 0.36 ++ +++++ + +++++ ++* VdW O ASN 86 - N ASP 88 2.75 16 0.27 0.42 ++ +++++ +++++++ +* VdW O ASN 86 - N ALA 89 2.75 13 0.23 0.48 ++ ++*+ + + +++ ++ VdW HA LEU 87 - CG2 VAL 90 2.60 11 0.18 0.39 + ++++ +*+ + ++ VdW CG1 VAL 113 - C VAL 113 2.90 12 0.18 0.33 + + * + ++ +++++ + VdW CG1 VAL 113 - N LYS 114 3.05 6 0.12 0.34 * + + + + + VdW CG TYR 116 - O TYR 116 2.90 7 0.17 0.57 ++ + + + + * VdW CG2 ILE 119 - C ILE 119 2.90 9 0.15 0.33 + ++++ + + + * VdW O ASN 120 - N ALA 122 2.75 8 0.18 0.63 +++ + ++ * + VdW O LYS 121 - C ALA 122 2.80 7 0.15 0.48 + + +++ * + VdW O ALA 122 - CB ASP 123 2.90 11 0.29 0.59 ++* + + ++++ + + VdW O ALA 122 - HB2 ASP 123 2.30 6 0.10 0.32 + + + +* + VdW HA ASP 123 - CD PRO 124 2.60 10 0.17 0.31 +++ + ++ +++ * VdW C PHE 132 - H GLU 134 2.45 6 0.12 0.43 ++ + + *+ VdW O PHE 132 - C GLU 133 2.80 6 0.11 0.32 + ++ * + + VdW C GLU 133 - H TRP 135 2.45 8 0.15 0.54 + +* + + + ++ VdW CG GLU 134 - C GLU 134 2.90 7 0.11 0.24 + +*++ + + VdW C GLU 134 - N LYS 136 2.95 9 0.17 0.37 + ++ + ++ + +* VdW C GLU 134 - H LYS 136 2.45 6 0.15 0.34 + ++ + +* VdW O GLU 134 - C TRP 135 2.80 9 0.15 0.39 + +* + + + + ++ VdW O GLU 134 - N LYS 136 2.75 8 0.21 0.64 + ++ + + + +* VdW CG TRP 135 - C TRP 135 2.90 6 0.08 0.26 + + + * + + VdW O TRP 135 - N HIS 139 2.75 6 0.12 0.45 + ++ + + * VdW C LEU 138 - N LYS 140 2.95 10 0.15 0.36 + + ++ + + *+ ++ VdW C LEU 138 - H LYS 140 2.45 11 0.22 0.52 + ++ ++ + + *+ ++ VdW O LEU 138 - N LYS 140 2.75 9 0.16 0.45 + + ++ + + * ++ VdW C LYS 141 - N PHE 143 2.95 6 0.14 0.33 + * + ++ + VdW C LYS 141 - H PHE 143 2.45 7 0.18 0.53 * + + + +++ VdW CG LYS 142 - C LYS 142 2.90 8 0.14 0.24 + + +* + +++ VdW H ILE 144 - CG2 ILE 144 2.55 8 0.17 0.30 + + + + + + * + VdW CG2 ILE 144 - CD1 ILE 144 3.00 10 0.20 0.28 +* + + ++ ++ ++ VdW CG2 ILE 144 - HD13 ILE 144 2.60 6 0.11 0.47 + + + * + + VdW HG21 ILE 144 - H GLU 145 1.95 11 0.18 0.45 ++ +++ ++ + *++ VdW CD1 ILE 144 - C ILE 144 3.10 7 0.16 0.34 +*+ + + ++ VdW CD1 ILE 144 - N GLU 145 3.05 11 0.22 0.44 + + + ++ *++++ + VdW CG GLU 145 - C GLU 145 2.90 7 0.11 0.24 ++++ * ++ VdW O THR 146 - N ILE 150 2.75 8 0.14 0.42 *+++ ++ ++ VdW O THR 146 - CB ILE 150 2.90 7 0.14 0.33 + +* ++ + + VdW O THR 146 - HB ILE 150 2.30 10 0.19 0.54 *+ + + ++++ ++ VdW CG2 ILE 150 - CD1 ILE 150 3.00 7 0.13 0.33 * + ++ ++ + VdW CG2 ILE 150 - C ILE 150 2.90 6 0.15 0.33 + +++ * + VdW CG2 ILE 150 - N MET 151 3.05 8 0.13 0.34 *++ + + + ++ Angle PSI HIS 18 138.00 158.00 7 4.16 13.79 ++ + + + + * Angle PHI ASN 19 -138.00 -88.00 13 14.43 35.35 ++++ +++ ++*+ ++ Angle PSI ASN 19 124.00 156.00 10 6.33 19.80 * ++++ +++ ++ Angle PSI VAL 20 118.00 144.00 10 5.57 15.45 ++++ ++ + * + + Angle PHI PHE 21 -128.00 -94.00 15 5.86 10.18 ++*+ + ++ ++++++++ Angle PSI PHE 21 124.00 148.00 7 3.73 7.25 ++ + + +* + Angle PSI PRO 29 -39.00 -29.00 10 12.23 61.87 +++ + ++* + ++ Angle PHI ASP 30 -76.00 -56.00 11 8.20 59.52 ++ ++ +* + ++++ Angle PSI ASP 30 -48.00 -28.00 6 4.46 25.60 * ++ + + + Angle PHI VAL 31 -76.00 -56.00 14 12.41 52.38 * + ++ ++++++++++ Angle PSI VAL 31 -53.00 -31.00 15 14.87 36.50 +* +++ + ++++ +++++ Angle PHI ILE 32 -73.00 -53.00 8 5.07 17.43 + + + * + +++ Angle PSI ILE 32 -55.00 -35.00 15 10.17 23.97 *+++++ + ++ ++++ ++ Angle PHI ASN 33 -74.00 -54.00 6 2.74 9.12 +* + + + + Angle PSI ASN 33 -52.00 -32.00 14 11.96 48.20 + ++++ ++++ + ++ *+ Angle PHI VAL 34 -81.00 -61.00 9 6.30 17.52 + + + ++ + *++ Angle PSI VAL 34 -51.00 -31.00 15 9.88 22.42 *++++++++ ++ ++ + + Angle PHI LEU 36 -115.00 -83.00 7 5.36 25.33 +*+ ++ + + Angle PSI LEU 36 -34.00 10.00 6 3.26 13.10 + + + * + + Angle PHI THR 39 -125.00 -97.00 8 4.83 20.31 + ++* ++ + + Angle PSI PRO 40 116.00 150.00 6 3.96 16.98 *+ ++ ++ Angle PHI ILE 42 -126.00 -96.00 7 3.78 11.91 + ++ ++ + * Angle PSI ILE 42 124.00 144.00 12 11.58 36.02 + + + + + ++*++ ++ Angle PHI VAL 43 -132.00 -112.00 17 13.02 23.26 +++++*+ + +++++++ ++ Angle PHI SER 44 -113.00 -77.00 15 11.87 31.21 +++ +++++ + ++++ +* Angle PSI SER 44 124.00 144.00 14 13.09 33.96 +++ + ++* + ++++++ Angle PHI ALA 45 -145.00 -125.00 15 11.59 23.71 + *+ + ++++++++ +++ Angle PSI ALA 45 131.00 157.00 15 15.81 38.78 + +* + +++ ++++++++ Angle PHI THR 46 -134.00 -92.00 14 12.70 36.48 ++ ++++ *+++ +++ + Angle PSI THR 46 118.00 138.00 20 21.59 35.71 *+++++++++++++++++++ Angle PHI LEU 47 -131.00 -99.00 18 27.16 61.74 +++++++++++++ ++++ * Angle PSI PRO 48 133.00 147.00 18 16.69 35.78 ++++++++++*+++++++ Angle PHI PHE 50 -149.00 -103.00 9 9.60 29.13 + + + + ++ +*+ Angle PSI PHE 50 145.00 175.00 8 6.97 32.11 + +++ * ++ + Angle PHI GLN 51 -164.00 -140.00 14 8.77 24.15 ++++ +++ ++ ++*+ + Angle PSI VAL 64 146.00 170.00 7 4.45 20.01 + + + + + * + Angle PHI SER 66 -124.00 -76.00 16 10.03 31.04 +++++++ +++*+++ ++ Angle PSI SER 66 99.00 147.00 8 5.33 24.62 *+ ++ +++ + Angle PHI GLU 67 -72.00 -52.00 11 10.04 27.72 +++ + * ++ + +++ Angle PSI GLU 67 -36.00 -16.00 7 3.19 9.94 *+ + + + + + Angle PHI GLU 70 -152.00 -108.00 10 5.43 18.69 + + +++ +++ *+ Angle PSI GLU 70 127.00 159.00 10 7.08 20.99 +++++ +* +++ Angle PHI VAL 71 -140.00 -110.00 9 5.58 18.01 ++ ++ + + ++* Angle PSI VAL 71 120.00 142.00 7 5.26 23.35 +*+ +++ + Angle PHI HIS 72 -116.00 -70.00 8 5.69 20.98 +*+ +++ ++ Angle PSI HIS 72 113.00 157.00 7 4.56 16.94 +++++ * + Angle PSI LYS 74 148.00 172.00 13 10.43 29.00 + ++++ +++ * ++++ Angle PHI VAL 75 -138.00 -108.00 9 10.12 32.22 + + + * + + + + + Angle PSI VAL 75 116.00 146.00 9 7.27 23.18 + + + ++ + *++ Angle PHI LEU 76 -116.00 -96.00 10 5.86 21.55 + ++++ + ++*+ Angle PSI LEU 76 104.00 128.00 8 4.29 14.97 + ++++ ++* Angle PHI MET 77 -128.00 -70.00 9 5.60 17.51 + + +++ +++* Angle PHI THR 80 -117.00 -71.00 8 5.98 25.56 + ++ + + + + * Angle PSI THR 80 159.00 179.00 12 6.87 19.11 + +++ + ++ +* + ++ Angle PHI SER 81 -70.00 -50.00 8 4.80 15.90 ++ + +* +++ Angle PHI GLU 83 -79.00 -59.00 6 4.98 42.53 ++*++ + Angle PSI GLU 83 -49.00 -29.00 13 11.33 47.91 ++ *+ ++++ ++ +++ Angle PHI LEU 84 -74.00 -54.00 8 8.56 81.72 * + +++ + ++ Angle PSI LEU 84 -52.00 -32.00 10 9.81 50.88 ++ + +*++ ++ + Angle PHI GLU 85 -75.00 -55.00 14 12.51 44.47 ++ +++ +*++ ++ +++ Angle PSI ASN 86 -52.00 -32.00 19 37.97 65.70 ++++++++++++ +++*+++ Angle PHI LEU 87 -72.00 -52.00 20 26.76 62.29 ++*+++++++++++++++++ Angle PHI ASP 88 -72.00 -52.00 6 5.37 29.62 * ++ + + + Angle PSI ASP 88 -50.00 -30.00 8 6.32 24.31 + ++ +* ++ + Angle PHI ALA 89 -73.00 -53.00 15 10.31 39.56 ++++ +++++* ++++ + Angle PHI VAL 90 -76.00 -56.00 7 4.26 14.28 + ++ ++ *+ Angle PSI VAL 90 -56.00 -36.00 17 10.82 24.10 ++ +++++++ *++ +++++ Angle PHI GLU 91 -94.00 -58.00 14 7.87 21.90 + ++ + ++ *++ +++++ Angle PHI TYR 95 -139.00 -105.00 7 3.22 15.18 ++ + + ++ * Angle PHI GLU 96 -153.00 -121.00 16 18.00 56.53 +++++ ++ +++*+++ ++ Angle PSI GLU 96 127.00 161.00 11 10.76 31.52 + +*++++ ++ ++ Angle PHI ARG 97 -111.00 -87.00 10 8.62 27.01 +* +++ + +++ + Angle PSI ARG 97 117.00 137.00 14 11.93 34.80 ++++ + ++++++*+ + Angle PHI VAL 98 -133.00 -111.00 14 9.43 21.65 ++*+ +++ +++ ++++ Angle PSI VAL 98 130.00 160.00 12 7.63 27.09 + ++ ++ ++ ++ + *+ Angle PHI THR 99 -111.00 -87.00 9 6.76 22.31 +*++ + ++ ++ Angle PSI THR 99 123.00 143.00 15 15.20 51.97 ++++++ ++++ ++ ++* Angle PHI VAL 100 -143.00 -123.00 12 9.57 24.22 + +++ ++ + ++*++ Angle PSI ILE 102 136.00 160.00 8 3.18 10.50 + + ++ + ++* Angle PSI VAL 103 113.00 157.00 7 4.24 15.27 *+ + ++ + + Angle PHI SER 108 -88.00 -50.00 6 3.76 12.59 *++ +++ Angle PSI MET 111 134.00 158.00 10 4.73 10.17 + + +++ *+++ + Angle PHI ALA 112 -118.00 -86.00 8 4.39 11.63 ++ + + ++ +* Angle PSI ALA 112 120.00 144.00 11 10.19 33.89 * ++++ + ++++ + Angle PHI VAL 113 -146.00 -126.00 12 11.25 33.41 + ++ *+ +++++ ++ Angle PSI VAL 113 147.00 173.00 6 7.56 48.92 + *+ + + + Angle PHI LYS 114 -141.00 -95.00 7 6.83 37.64 + * ++ + ++ Angle PSI LYS 114 134.00 164.00 20 22.57 47.56 ++++++++*+++++++++++ Angle PHI THR 115 -163.00 -113.00 19 16.16 31.78 ++++++++*+++ +++++++ Angle PSI THR 115 124.00 174.00 10 9.47 32.76 + + + + *++ + ++ Angle PHI TYR 116 -124.00 -96.00 11 9.64 40.59 +++++* +++ + + Angle PSI TYR 116 108.00 138.00 19 21.37 34.87 +++++ +++++++++++*++ Angle PHI MET 117 -145.00 -107.00 20 27.14 42.84 +++++*++++++++++++++ Angle PSI MET 117 118.00 156.00 6 3.11 12.89 + ++ * + + Angle PHI TRP 118 -127.00 -59.00 12 8.50 23.02 ++ ++ ++* +++++ Angle PSI TRP 118 117.00 157.00 19 15.16 32.33 ++++*+++ +++++++++++ Angle PHI ILE 119 -72.00 -52.00 15 10.80 28.44 ++ +*+ + ++ +++ ++++ Angle PSI ILE 119 -41.00 -21.00 10 11.06 41.64 + +++ ++ *+ + + Angle PHI ASN 120 -104.00 -78.00 14 12.11 34.99 ++++ +++ *+ +++++ Angle PSI ASN 120 -11.00 9.00 13 9.61 43.21 +++ +++++++ * ++ Angle PSI PHE 132 -54.00 -34.00 9 6.69 23.86 + ++ +* ++ ++ Angle PHI GLU 133 -76.00 -56.00 11 10.65 27.65 + ++ + *++++++ Angle PSI GLU 133 -50.00 -30.00 11 8.41 23.01 +++* + ++ + + ++ Angle PHI GLU 134 -78.00 -58.00 13 17.59 53.93 + ++++ ++ +++*++ Angle PSI GLU 134 -54.00 -34.00 12 16.59 51.31 + ++ + ++++ + + *+ Angle PHI TRP 135 -73.00 -53.00 11 11.72 31.73 + +* + +++ + + ++ Angle PSI TRP 135 -52.00 -32.00 10 7.52 22.77 ++ + + ++*+ + + Angle PHI LYS 136 -73.00 -53.00 14 8.85 17.40 + *++++++ ++ ++ ++ Angle PSI LYS 136 -52.00 -32.00 11 13.62 36.87 + ++ ++ ++*+++ Angle PHI ARG 137 -74.00 -54.00 16 19.76 72.91 +++++*+++ + ++++++ Angle PSI ARG 137 -51.00 -31.00 18 22.54 61.43 +++++++++++ ++++ *++ Angle PHI LEU 138 -91.00 -71.00 9 15.74 54.08 + + + ++ +++ * Angle PSI LEU 138 -45.00 -15.00 16 34.37 68.70 + +++++++ ++ +*++++ Angle PHI HIS 139 -107.00 -71.00 19 27.05 53.36 +++++++++ ++*+++++++ Angle PSI LYS 140 -53.00 -33.00 16 9.03 18.03 +++ ++++ ++++ ++*++ Angle PHI LYS 141 -73.00 -53.00 16 16.70 35.50 *+++ ++++ ++++++ ++ Angle PSI LYS 141 -51.00 -31.00 13 14.28 33.38 + + +*+ ++++ +++ + Angle PHI LYS 142 -75.00 -55.00 8 4.79 22.72 + ++ +++ + * Angle PSI LYS 142 -49.00 -29.00 16 14.85 33.71 +++ ++++++++ +*++ + Angle PHI PHE 143 -76.00 -56.00 16 13.44 29.50 + +++*+++++ ++++++ Angle PSI PHE 143 -54.00 -34.00 9 6.36 24.91 ++ + ++ +* ++ Angle PHI ILE 144 -73.00 -53.00 19 19.35 34.20 ++++++++++++++* ++++ Angle PSI ILE 144 -53.00 -33.00 6 3.68 18.95 + + + + * + Angle PHI GLU 145 -71.00 -51.00 6 2.97 9.41 + ++ + +* Angle PSI GLU 145 -51.00 -31.00 10 7.12 26.78 + + +++ + ++ * + Angle PHI THR 146 -79.00 -59.00 10 6.04 17.58 + +++ +*+ +++ Angle PHI PHE 147 -77.00 -57.00 13 10.97 34.72 +++ + +++ +++++* Angle PSI PHE 147 -50.00 -30.00 15 11.16 32.36 +++++ ++ +++++ +* + Angle PHI LYS 148 -74.00 -54.00 12 10.63 59.88 ++ + * ++ + +++++ Angle PSI LYS 148 -48.00 -28.00 17 14.17 36.95 +++++++ +++++++ + +* Angle PHI LYS 149 -74.00 -54.00 15 10.83 35.95 +++++++ ++ +++ ++ * Angle PSI LYS 149 -48.00 -28.00 10 10.04 30.14 * ++ + +++ + ++ Angle PHI ILE 150 -74.00 -54.00 12 6.56 16.55 ++ + ++ ++ +++ *+ Angle PSI ILE 150 -52.00 -32.00 8 4.53 19.90 + *+ + + + ++ Angle PHI MET 151 -76.00 -56.00 11 8.41 33.39 ++++++ + * + + + Angle PHI GLU 152 -76.00 -56.00 10 5.39 13.49 ++ + * + +++ ++ Angle PSI GLU 152 -51.00 -31.00 10 4.98 22.64 ++ +* ++ ++ + + Angle PHI CYS 153 -73.00 -53.00 10 6.82 16.00 +* + ++ + + + ++ 85 violated distance constraints. 138 violated angle constraints. RMSDs for residues 18..164: Average backbone RMSD to mean : 8.03 +/- 0.88 A (6.55..9.72 A) Average heavy atom RMSD to mean : 8.76 +/- 0.87 A (7.36..10.35 A)