Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 122.62 73 0.1755 1.42 120 81.5 0.55 77 7.7805 31.80 2 122.89 71 0.1782 1.55 103 76.4 0.66 70 7.5797 32.30 3 138.12 71 0.1823 1.76 132 86.4 0.67 75 9.1213 34.06 4 140.31 77 0.1899 1.77 112 82.0 0.78 72 8.3511 30.21 5 144.15 71 0.1839 2.39 113 80.3 0.77 7710.4299 48.54 6 152.07 81 0.1895 1.69 136 98.8 0.70 72 9.5908 36.04 7 152.63 72 0.1853 1.69 114 91.7 0.61 9411.1927 43.71 8 157.95 72 0.1914 2.14 164 105.7 0.56 77 9.6643 34.80 9 159.20 91 0.2006 1.68 135 88.4 0.65 68 9.4029 33.34 10 164.47 66 0.1784 1.70 133 93.2 0.64 8413.1938 62.99 11 167.36 80 0.2032 1.74 140 92.8 0.68 8310.3716 42.90 12 167.54 72 0.1871 1.72 134 99.8 0.50 7812.6925 57.30 13 168.24 70 0.1800 1.81 140 98.4 0.62 9013.3112 56.47 14 169.30 84 0.2036 2.28 131 88.8 0.72 7910.6467 44.56 15 172.34 74 0.2025 2.25 162 103.1 0.69 88 9.8645 50.85 16 174.85 79 0.1974 2.31 158 102.2 0.71 8911.5138 44.78 17 178.82 78 0.2033 1.79 192 110.4 0.81 8510.1920 43.94 18 180.25 88 0.2022 1.96 166 107.9 0.67 8511.2370 41.00 19 181.51 88 0.2080 2.14 151 96.6 0.70 7511.1458 59.56 20 185.05 93 0.2154 2.33 157 102.4 0.75 8010.0107 39.19 Ave 159.98 78 0.1929 1.91 140 94.3 0.67 8010.3647 43.42 +/- 18.06 8 0.0112 0.28 22 9.5 0.08 7 1.5495 9.66 Min 122.62 66 0.1755 1.42 103 76.4 0.50 68 7.5797 30.21 Max 185.05 93 0.2154 2.39 192 110.4 0.81 9413.3112 62.99 Cut 0.60 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper HA GLN 16 - HB3 LEU 17 3.76 16 0.86 1.31 *++++++++++++ + ++ peak 58 Upper HA LEU 17 - HD2 HIS 18 4.04 11 0.66 1.32 +++++++ + ++ * peak 493 Upper HB3 LEU 17 - HA GLU 83 4.92 12 0.98 2.31 ++ ++++ + *++++ peak 82 Upper QD1 LEU 17 - HA GLU 83 3.81 15 1.00 1.62 +++++ + + +++ ++++ * peak 85 Upper HB3 HIS 18 - H VAL 79 4.31 10 0.56 1.37 ++ + + ++ ++* + peak 1486 Upper HB3 HIS 18 - HB VAL 79 4.47 9 0.49 1.17 ++ +++ +* ++ peak 111 Upper HB3 HIS 18 - QD1 LEU 84 5.02 6 0.37 1.20 * + + ++ + peak 110 Upper HB3 HIS 18 - QD2 LEU 84 5.18 13 0.69 1.55 *+ +++ ++ + ++++ + peak 109 Upper HE1 HIS 18 - HD22 ASN 19 5.36 10 0.63 1.36 + + +++ ++ + * + peak 1715 Upper HE1 HIS 18 - QD1 LEU 84 3.96 10 0.58 1.39 +++ ++++ ++ * peak 16 Upper HE1 HIS 18 - QD2 LEU 84 4.85 8 0.54 1.41 + + + +++ * + peak 27 Upper H ASN 19 - QG2 VAL 20 4.03 8 0.55 1.27 + + * ++ +++ peak 212 Upper HA ASN 19 - HA MET 77 4.53 7 0.46 2.03 + + *++++ peak 116 Upper HA ASN 19 - H GLY 78 4.79 10 0.64 1.33 ++ + * ++ + + ++ peak 119 Upper HD21 ASN 19 - HB VAL 71 3.97 11 0.79 2.02 ++++ + + +* ++ + peak 1693 Upper HD22 ASN 19 - HB VAL 71 3.86 17 0.94 1.64 +++++*++ ++++++++ + peak 1707 Upper QG2 VAL 20 - H PHE 21 3.44 8 0.42 1.01 ++ + * +++ + peak 650 Upper QD PHE 21 - QG2 VAL 75 3.41 12 0.66 1.40 +++* ++++ ++++ peak 137 Upper H VAL 22 - H LEU 76 4.14 14 0.87 1.96 ++ + + ++ + +++ +*++ peak 696 Upper QG1 VAL 22 - QB ALA 45 3.93 9 0.53 1.23 ++ + + + + ++ * peak 1363 Upper QD TYR 23 - QD1 LEU 47 4.64 15 1.07 2.39 +++ *+ + +++++ ++++ peak 66 Upper QD PHE 26 - HA VAL 31 4.09 6 0.48 0.84 + ++ + * + peak 229 Upper H VAL 31 - HB ILE 32 4.10 18 0.74 0.94 ++++++* ++ +++++++++ peak 1443 Upper H ILE 32 - QD2 LEU 36 3.73 10 0.56 1.12 + + + ++ + + *+ + peak 384 Upper HG12 ILE 32 - QD2 LEU 36 3.27 6 0.48 0.97 + + + + * + peak 176 Upper QG2 VAL 34 - HA LYS 148 3.79 7 0.44 1.34 ++ + * + + + peak 1121 Upper H MET 35 - HG LEU 36 4.68 8 0.31 0.88 + + +* + + + + peak 1020 Upper H ASP 37 - HB3 LEU 87 5.31 7 0.41 1.46 ++* + + + + peak 2306 Upper H THR 39 - HA PRO 40 4.10 19 0.81 1.10 ++++ +*+++++++++++++ peak 569 Upper HA ALA 45 - QG2 THR 46 4.42 10 0.44 1.01 ++ ++ + * +++ + peak 285 Upper QB ALA 45 - HB2 LYS 74 3.97 10 0.62 1.46 ++++ *+ +++ + peak 481 Upper QB ALA 45 - HB3 LYS 74 4.13 11 0.52 1.37 ++ + +* + ++ ++ + peak 484 Upper H THR 46 - HD3 PRO 48 4.46 12 0.64 1.24 ++ ++++ ++ *++ + peak 308 Upper H THR 46 - HG3 GLU 105 4.01 8 0.51 0.93 +++ * ++ ++ peak 501 Upper HG LEU 47 - H PHE 50 4.17 9 0.44 1.26 + ++ + ++ *+ + peak 1734 Upper QD2 LEU 47 - HA VAL 100 4.16 13 0.72 1.42 +++ + + +*++ ++++ peak 2171 Upper H PHE 50 - QG2 ILE 63 4.46 20 0.95 1.37 *+++++++++++++++++++ peak 1670 Upper HB3 PHE 50 - HB3 GLN 51 5.50 8 0.65 1.05 ++ + * ++ + + peak 2240 HB3 PHE 50 - HB ILE 63 Upper QD PHE 50 - HB VAL 71 3.56 6 0.51 1.17 + + *++ + peak 175 Upper H GLN 51 - HA PRO 65 3.79 7 0.60 1.32 + ++ + * ++ peak 1161 Upper H GLN 51 - QG2 VAL 71 4.43 10 0.56 0.99 * +++ ++ +++ + peak 1169 Upper HB2 GLN 51 - QD1 ILE 63 4.01 17 0.94 1.61 +++++++ ++++++* ++ + peak 1745 Upper HB3 GLN 51 - H PHE 53 3.90 12 1.01 1.72 + ++ ++ ++*+ ++ + peak 1464 Upper HB3 GLN 51 - HB2 SER 66 3.92 7 0.53 1.46 + + +* + ++ peak 1823 Upper QD PHE 53 - H CYS 62 3.44 10 0.62 1.00 + + ++ ++ ++* + peak 121 Upper H ILE 63 - H TRP 118 4.37 10 0.65 1.47 +++ ++++ +* + peak 1076 Upper QG2 ILE 63 - QD1 ILE 119 3.31 15 0.72 1.33 +++*++++ ++++ + + + peak 1728 Upper QD1 ILE 63 - HB ILE 119 4.14 13 0.65 1.39 + ++ ++ + + *+++++ peak 1687 Upper HB2 SER 66 - HB3 GLU 67 3.96 18 0.79 1.44 +++++++ ++ ++++++++* peak 1836 Upper QG2 VAL 71 - HD2 HIS 72 3.80 11 0.62 1.06 ++++ *++++ ++ peak 421 Upper H LEU 76 - HG LEU 76 3.69 6 0.36 0.89 + + + ++ * peak 683 Upper HA LEU 76 - QG1 VAL 79 3.82 8 0.54 1.23 + + ++ ++ +* peak 512 Upper HB3 LEU 76 - HA MET 77 3.90 10 0.66 1.09 ++ +++ + ++ +* peak 529 Upper HG LEU 76 - QG1 VAL 79 3.91 6 0.51 1.50 * + ++++ peak 522 Upper H MET 77 - QG1 VAL 79 3.87 6 0.42 0.90 +++ + + * peak 89 Upper H GLY 78 - QG2 VAL 79 3.95 6 0.49 2.28 ++ + *+ + peak 944 Upper HA3 GLY 78 - HA GLU 83 3.56 17 1.00 1.66 +++++++*+ +++++ +++ peak 536 Upper QG1 VAL 79 - H THR 80 3.65 15 0.58 0.80 ++ ++ +++++++++ +* peak 868 Upper QG1 VAL 79 - HB3 LEU 84 4.19 11 0.55 1.40 +++ + + ++*++ + peak 587 HB3 LEU 84 - QG2 VAL 90 Upper QG2 VAL 79 - QG2 THR 80 2.95 16 0.76 1.34 ++++ ++++ +++++ +*+ peak 1810 Upper QG2 VAL 79 - H LEU 84 4.14 12 0.63 1.22 ++ +++ +*+ + +++ peak 201 Upper QG2 VAL 79 - HB3 LEU 84 4.62 8 0.51 1.55 + +*+ + + + + peak 588 Upper HB3 LEU 84 - HA ALA 89 4.75 15 0.92 1.71 ++ + +++++++++++* peak 578 Upper HA GLU 85 - H ASP 88 4.48 7 0.46 0.81 + + + ++ + * peak 617 Upper HA TYR 95 - H ILE 119 4.14 10 0.55 1.47 ++ + + + ++*+ + peak 770 Upper H GLU 96 - QG2 VAL 98 4.70 7 0.45 1.05 ++ + * + + + peak 886 Upper H GLU 96 - HG12 ILE 119 4.46 8 0.57 1.36 + + + * ++ ++ peak 885 Upper QG1 VAL 98 - H THR 115 4.02 12 0.56 0.96 +*++++ + ++ + ++ peak 552 Upper QG2 VAL 98 - HB3 LYS 114 4.20 12 0.71 1.14 +* + +++ + +++ ++ peak 886 Upper H GLY 101 - HB ILE 102 5.05 10 0.58 1.00 ++ +++ +*+ + + peak 978 Upper HB ILE 102 - H VAL 103 3.30 17 0.78 1.16 +++++++++*++++ + ++ peak 1116 Upper HG13 ILE 102 - HB2 MET 111 5.16 6 0.63 2.14 + + + + +* peak 827 Upper H VAL 103 - QG2 VAL 103 3.16 7 0.56 0.82 +++ * + + + peak 1117 Upper HA VAL 103 - H MET 111 3.88 6 0.44 0.94 + + + ++ * peak 270 Upper QG2 VAL 103 - H SER 108 3.77 12 0.52 0.77 + + +++ +* ++ +++ peak 609 Upper QG2 VAL 103 - HB2 MET 111 3.38 9 0.49 1.46 + ++ + + ++ + * peak 818 Upper H ARG 104 - HB3 GLU 109 4.28 11 0.75 2.25 ++ ++ +++*+ + + peak 14 Upper H ASP 106 - H SER 108 4.08 17 0.97 1.58 ++*+++++ +++++ ++++ peak 453 Upper H ASN 107 - HD21 ASN 107 4.70 6 0.31 1.13 + + * ++ + peak 1769 Upper HG2 MET 111 - H ALA 112 4.35 7 0.48 0.78 ++ + * ++ + peak 27 H ALA 112 - HB VAL 113 Upper HB2 LYS 114 - HA TYR 116 5.23 15 0.71 1.15 ++++ ++++++ +*++ + peak 875 Upper H TYR 116 - HG2 MET 117 4.82 9 0.56 1.07 +++ *+ + ++ + peak 349 Upper HG3 MET 117 - H TRP 118 3.44 12 0.65 1.25 +++ ++ +* ++ + ++ peak 1072 Upper HA GLU 133 - HE1 HIS 139 3.93 17 0.93 1.18 ++++*++++ + +++++++ peak 958 Upper H TRP 135 - HD1 TRP 135 4.16 6 0.36 0.86 + + + + + * peak 346 Upper HD1 TRP 135 - H LYS 136 4.19 7 0.37 1.35 ++ + * ++ + peak 1517 Upper HZ2 TRP 135 - H LYS 148 4.43 8 0.52 1.32 + + + + +* ++ peak 567 Upper HH2 TRP 135 - H LYS 148 4.78 11 0.60 1.22 + +* +++ +++ ++ peak 295 Upper QD1 LEU 138 - HD2 HIS 139 3.66 6 0.58 1.02 + ++ + +* peak 483 Upper H HIS 139 - HA LYS 140 3.83 17 0.87 1.05 +++++++++ + *++++++ peak 542 Upper H LYS 141 - HA LYS 142 4.08 18 0.84 1.24 ++++++ ++++++*+ ++++ peak 1294 Upper H PHE 143 - QD PHE 147 4.20 15 0.86 1.76 ++*+ +++++++ ++ ++ peak 1236 Upper H ILE 144 - H PHE 147 3.81 10 0.56 0.81 ++ * +++ ++ ++ peak 821 Upper HB THR 146 - H LYS 148 4.57 6 0.40 1.38 * ++ + ++ peak 294 Upper QD PHE 147 - HG3 LYS 148 4.04 10 0.68 1.56 ++ + ++*++ + + peak 115 Upper H LYS 148 - HE3 LYS 148 3.91 6 0.32 0.85 + ++ * + + peak 283 Upper HA LYS 148 - HB ILE 150 3.34 7 0.59 0.83 + * ++++ + peak 1119 Upper HA MET 151 - HG3 GLU 152 4.32 14 0.64 0.80 ++ + + +++ + +*++ ++ peak 1100 Upper H LYS 154 - HA LYS 155 3.62 20 0.92 1.07 +++++++++++++*++++++ peak 253 VdW N LEU 17 - CD2 LEU 17 3.05 7 0.13 0.47 ++ +* ++ + VdW HA LEU 17 - OG1 THR 80 2.30 6 0.11 0.42 + +++ + * VdW HA LEU 17 - CG2 THR 80 2.60 7 0.14 0.46 *++ + + + + VdW CD2 HIS 18 - CG2 VAL 79 3.20 8 0.17 0.53 ++ ++ + + +* VdW O HIS 18 - CG2 VAL 79 2.90 7 0.13 0.46 ++ + + ++ * VdW ND2 ASN 19 - C ASN 19 2.95 6 0.11 0.44 + *+ + ++ VdW CG1 VAL 20 - C VAL 20 2.90 7 0.14 0.33 ++ + + *++ VdW O VAL 20 - N LEU 76 2.75 6 0.14 0.59 + + ++ +* VdW N VAL 22 - CG2 VAL 22 2.85 6 0.07 0.24 +++ + + * VdW N ASP 28 - HD2 PRO 29 2.45 7 0.11 0.39 + ++ + * + + VdW CB ASP 28 - CD PRO 29 3.20 9 0.13 0.37 ++++ + + + +* VdW CG2 ILE 32 - CD2 LEU 36 3.20 6 0.11 0.32 + + * ++ + VdW H VAL 34 - CG2 VAL 34 2.55 8 0.15 0.35 +* + +++ + + VdW O ASP 37 - CB ARG 38 2.90 6 0.13 0.47 + + ++ * + VdW HA THR 39 - CD PRO 40 2.60 16 0.26 0.30 + ++++ ++* ++++++++ VdW CG2 THR 39 - C THR 39 2.90 10 0.20 0.32 ++* + + +++ + + VdW O PRO 40 - O GLU 41 2.60 10 0.20 0.50 +++ + + ++ + * + VdW CG LEU 47 - O LEU 47 2.90 12 0.26 0.58 ++++* + ++ +++ + VdW HG LEU 47 - O LEU 47 2.30 10 0.28 0.77 +++*+ + ++ ++ VdW CD1 LEU 47 - O LEU 47 2.90 7 0.22 0.81 + + + ++ * + VdW CD1 LEU 47 - HB3 PHE 50 2.60 7 0.14 0.44 + ++ + *+ + VdW CD2 LEU 47 - C LEU 47 3.10 7 0.13 0.53 + + ++ *+ + VdW CG PHE 50 - C PHE 50 2.90 14 0.19 0.25 ++++ *++++ ++ ++ + VdW CD1 PHE 50 - C PHE 50 3.10 8 0.14 0.43 +++++ *+ + VdW CD1 PHE 50 - N GLN 51 3.05 6 0.11 0.44 + *++ + + VdW O GLN 51 - HD11 ILE 63 2.30 7 0.13 0.38 * + ++++ + VdW HD1 PHE 53 - C PHE 53 2.50 7 0.11 0.50 + +++ +* + VdW HD2 PHE 53 - C PHE 53 2.50 8 0.11 0.31 + ++ * ++ + + VdW CA ILE 63 - CD1 ILE 63 3.00 13 0.21 0.33 ++++++++* +++ + VdW HA ILE 63 - HD11 ILE 63 2.00 6 0.12 0.40 + *++ + + VdW HA VAL 64 - CD PRO 65 2.60 11 0.19 0.29 ++ ++++ + * ++ + VdW N HIS 72 - CD2 HIS 72 3.05 11 0.21 0.41 *+ ++ + ++ +++ + VdW CG1 VAL 75 - C VAL 75 2.90 7 0.13 0.33 + + ++ +* + VdW CG2 VAL 75 - C VAL 75 2.90 6 0.09 0.33 + ++ + +* VdW H THR 80 - HB2 GLU 83 1.95 11 0.19 0.47 +* ++ + +++++ + VdW O THR 80 - N LEU 84 2.75 8 0.16 0.40 + ++ ++ *+ + VdW O SER 81 - CB GLU 85 2.90 9 0.18 0.50 + + + ++* + ++ VdW HB3 LEU 84 - CB ASP 88 2.60 7 0.10 0.35 +* ++ ++ + VdW O GLU 85 - CB ALA 89 2.90 16 0.23 0.41 ++++++ + +++++ +++* VdW O GLU 96 - HA TYR 116 2.30 7 0.15 0.67 +++ + ++ * VdW O VAL 98 - CA LYS 114 2.90 9 0.15 0.39 ++++ ++ * + + VdW O VAL 98 - HA LYS 114 2.30 10 0.17 0.42 +++* ++ + + ++ VdW O VAL 100 - O VAL 113 2.60 8 0.17 0.46 ++ +++ + + * VdW CG2 ILE 102 - C ILE 102 2.90 13 0.20 0.33 ++ + ++ +* + ++++ + VdW CG2 ILE 102 - N VAL 103 3.05 11 0.19 0.41 ++ ++ + ++ ++* + VdW O ILE 102 - HB2 MET 111 2.30 17 0.36 0.63 ++++++ ++++ +++*++ + VdW CG1 VAL 103 - C VAL 103 2.90 10 0.17 0.33 + ++ + +* ++ + + VdW C ASN 107 - N GLU 109 2.95 14 0.22 0.37 ++ +++ + +* ++ ++++ VdW C ASN 107 - H GLU 109 2.45 14 0.42 0.68 ++ +++ + +* ++ ++++ VdW O ASN 107 - N GLU 109 2.75 14 0.25 0.51 ++ +++ + +* ++ ++++ VdW CG2 VAL 113 - C VAL 113 2.90 8 0.10 0.29 + +++* ++ + VdW H LYS 114 - CG LYS 114 2.55 8 0.13 0.30 + + + +++* + VdW O ASN 120 - CB LYS 121 2.90 7 0.14 0.34 + + + + +* + VdW CB PRO 124 - H ASP 125 2.55 8 0.11 0.32 + * ++ ++++ VdW C GLU 133 - N TRP 135 2.95 9 0.19 0.30 ++++ * +++ + VdW C GLU 133 - H TRP 135 2.45 18 0.34 0.61 +++++++++ + *+++++++ VdW HB2 GLU 134 - NE2 HIS 139 2.50 13 0.25 0.41 ++ +++++* + ++ ++ VdW O GLU 134 - C TRP 135 2.80 18 0.25 0.48 ++++++++++ +*+++ +++ VdW O GLU 134 - N ARG 137 2.75 16 0.21 0.31 +++++++++ * ++++++ VdW HA TRP 135 - HB2 HIS 139 2.00 14 0.20 0.36 +++++++++ + +*+ + VdW HA TRP 135 - ND1 HIS 139 2.50 16 0.27 0.48 +++++ +++ * +++++++ VdW CD1 TRP 135 - C TRP 135 3.10 8 0.13 0.38 + + + *+ + ++ VdW O TRP 135 - C HIS 139 2.80 13 0.24 0.51 +++++ +++ *+ +++ VdW C LEU 138 - H LYS 140 2.45 14 0.21 0.34 ++++*+ ++ ++++ ++ VdW N HIS 139 - CD2 HIS 139 3.05 17 0.31 0.40 +++++++++ + +++++*+ VdW H HIS 139 - CG HIS 139 2.55 9 0.18 0.27 + ++ ++ +*+ + VdW H HIS 139 - CD2 HIS 139 2.55 13 0.21 0.33 ++++ +++ ++*+ ++ VdW O PHE 143 - N PHE 147 2.75 8 0.16 0.43 +*++ + + ++ VdW O PHE 143 - HD2 PHE 147 2.30 6 0.10 0.44 * ++ ++ + VdW CG2 ILE 144 - C ILE 144 2.90 6 0.11 0.33 + * + + + + VdW O ILE 144 - CG LYS 148 2.90 6 0.10 0.34 + + ++ * + VdW CG2 THR 146 - C THR 146 2.90 8 0.14 0.32 + + ++* ++ + VdW CG PHE 147 - C PHE 147 2.90 7 0.11 0.24 +++ +* + + VdW CG2 ILE 150 - C ILE 150 2.90 19 0.29 0.33 +++++++++++ ++++*+++ Angle PHI HIS 18 -140.00 -116.00 8 5.23 15.83 + +++ + ++ * Angle PSI HIS 18 138.00 158.00 20 21.36 44.78 +++++++++++++++*++++ Angle PHI ASN 19 -138.00 -88.00 6 5.69 38.29 + ++ + * + Angle PSI ASN 19 124.00 156.00 7 5.61 29.03 ++ ++ *+ + Angle PHI VAL 20 -133.00 -113.00 10 7.25 30.47 ++++ + + + +*+ Angle PSI VAL 20 118.00 144.00 11 12.10 50.85 ++ ++++ + *+ + + Angle PHI PHE 21 -128.00 -94.00 10 8.12 27.04 ++*++ +++ ++ Angle PSI PHE 21 124.00 148.00 8 5.55 20.35 + ++ ++++* Angle PHI VAL 22 -137.00 -101.00 16 12.92 35.63 ++ ++++++ +*++++++ Angle PSI VAL 22 138.00 172.00 14 7.49 17.05 ++ ++ + + +*++++++ Angle PSI PRO 29 -39.00 -29.00 11 5.67 14.22 + + + + +*++++ + Angle PHI VAL 31 -76.00 -56.00 16 7.23 11.67 +++++++ ++ +*+++++ Angle PSI VAL 31 -53.00 -31.00 8 4.72 11.66 ++ * + ++ ++ Angle PHI ASN 33 -74.00 -54.00 7 3.53 9.51 ++ + + ++ * Angle PHI VAL 34 -81.00 -61.00 6 3.42 15.77 + +* + + + Angle PHI MET 35 -78.00 -58.00 15 9.44 25.27 ++++*+++ ++ ++ +++ Angle PSI LEU 36 -34.00 10.00 9 5.69 17.48 + * + ++ ++++ Angle PHI THR 39 -125.00 -97.00 14 7.65 17.50 ++++++ ++++ * +++ Angle PSI THR 39 120.00 150.00 7 4.20 12.89 ++ + * + ++ Angle PSI PRO 40 116.00 150.00 19 14.27 29.92 +++++++ ++++++*+++++ Angle PHI ILE 42 -126.00 -96.00 12 6.38 15.01 +++++ * +++ + + + Angle PSI ILE 42 124.00 144.00 12 5.51 11.84 +++++ ++* ++++ Angle PHI VAL 43 -132.00 -112.00 16 7.29 13.41 ++++++*+++++++ + + Angle PSI VAL 43 115.00 145.00 15 7.94 13.33 ++*++++ + +++ + ++ + Angle PHI SER 44 -113.00 -77.00 19 11.32 21.71 ++++++++++++++++ *++ Angle PSI SER 44 124.00 144.00 8 4.64 13.58 + +* + ++ ++ Angle PHI ALA 45 -145.00 -125.00 6 3.36 12.54 ++ * + ++ Angle PHI THR 46 -134.00 -92.00 11 5.78 13.45 ++ ++ ++++ ++* Angle PSI THR 46 118.00 138.00 11 6.79 24.21 +++ ++++++ +* Angle PSI LEU 47 93.00 143.00 19 15.31 42.90 ++++++++++* ++++++++ Angle PSI PRO 48 133.00 147.00 16 10.37 24.82 ++ + ++ ++++++++*++ Angle PHI PHE 50 -149.00 -103.00 7 3.92 13.04 + + ++ *+ + Angle PSI ARG 52 113.00 141.00 19 16.31 27.51 ++++++++++++++ +++*+ Angle PSI CYS 62 149.00 169.00 11 6.34 16.22 +++ +++ + * + ++ Angle PHI ILE 63 -151.00 -129.00 18 12.91 20.35 +++++++++++ ++*++++ Angle PSI ILE 63 146.00 170.00 10 6.40 20.01 +++++ ++ ++ * Angle PSI GLU 70 127.00 159.00 9 5.62 16.23 ++ ++++ + +* Angle PHI VAL 71 -140.00 -110.00 10 4.42 10.29 ++ ++ ++* + ++ Angle PSI VAL 71 120.00 142.00 10 6.65 33.44 + ++ +*++ + + + Angle PHI HIS 72 -116.00 -70.00 12 7.72 24.04 + ++ +*++ + +++ + Angle PHI LYS 74 -150.00 -122.00 8 4.95 26.24 + +++* ++ + Angle PSI LYS 74 148.00 172.00 17 16.79 59.56 +++++ ++ +++++++ +*+ Angle PHI VAL 75 -138.00 -108.00 12 12.34 41.00 + +++ + + ++++ *+ Angle PSI VAL 75 116.00 146.00 8 8.82 37.60 + +++ ++ +* Angle PHI LEU 76 -116.00 -96.00 10 7.21 28.09 + +*+ + ++++ + Angle PHI THR 80 -117.00 -71.00 11 8.45 29.44 *+ + ++ +++++ + Angle PSI THR 80 159.00 179.00 6 4.65 25.60 + +++* + Angle PHI SER 81 -70.00 -50.00 8 3.91 15.26 + + + +* + + + Angle PHI ASP 82 -77.00 -57.00 18 16.04 33.01 +++++++++*+++++ +++ Angle PHI GLU 83 -79.00 -59.00 6 4.73 15.62 + ++ * + + Angle PSI GLU 83 -49.00 -29.00 16 11.08 29.77 ++ +++++++++ ++++* Angle PSI LEU 84 -52.00 -32.00 10 6.84 28.43 ++++++ +*+ + Angle PHI GLU 85 -75.00 -55.00 7 4.51 17.34 + + +*+ + + Angle PSI GLU 85 -51.00 -31.00 17 12.01 24.33 ++++++++ * ++++ ++++ Angle PHI ASN 86 -76.00 -56.00 9 6.61 33.83 + + +*+++ ++ Angle PSI ASN 86 -52.00 -32.00 14 9.77 26.44 ++++++* +++ + +++ Angle PHI LEU 87 -72.00 -52.00 19 21.21 43.71 ++++++*++ ++++++++++ Angle PSI LEU 87 -51.00 -31.00 8 9.40 51.89 ++*+++ + + Angle PSI ASP 88 -50.00 -30.00 9 6.82 19.88 ++*+++ + + + Angle PHI ALA 89 -73.00 -53.00 14 8.08 13.30 + ++++++++*+ + + + Angle PHI VAL 90 -76.00 -56.00 6 5.50 26.77 *+ + + ++ Angle PSI VAL 90 -56.00 -36.00 10 4.83 10.80 ++ + ++++ ++* Angle PHI GLU 91 -94.00 -58.00 8 5.08 18.23 + +* + ++ ++ Angle PSI TYR 95 143.00 163.00 7 4.08 18.26 + + + + ++ * Angle PSI GLU 96 127.00 161.00 8 6.03 25.52 + +++ ++ * + Angle PHI ARG 97 -111.00 -87.00 12 8.25 21.61 + ++++ + ++ + +*+ Angle PSI ARG 97 117.00 137.00 6 3.74 14.81 + + * + + + Angle PHI VAL 98 -133.00 -111.00 9 5.44 16.14 ++ ++ + +++ * Angle PSI VAL 98 130.00 160.00 11 9.14 34.34 +++ + +*++ ++ + Angle PHI THR 99 -111.00 -87.00 10 10.55 39.19 + ++ + +++++ * Angle PSI THR 99 123.00 143.00 6 5.69 26.08 *++ + ++ Angle PHI VAL 100 -143.00 -123.00 12 8.15 26.87 +++ ++++ +*+ + + Angle PSI VAL 100 147.00 167.00 16 11.84 24.15 ++++++++++ ++++*+ Angle PSI ILE 102 136.00 160.00 6 3.42 22.48 + + ++ + * Angle PHI VAL 103 -125.00 -77.00 18 14.80 37.51 ++++++ ++++ ++++++*+ Angle PHI ASP 106 -82.00 -58.00 14 7.13 27.20 ++++ + *++ ++ ++ ++ Angle PHI LYS 110 -111.00 -69.00 11 6.86 31.00 +*+ + + ++ ++++ Angle PSI LYS 110 126.00 148.00 18 11.27 34.34 ++++++ ++++ ++++++*+ Angle PHI ALA 112 -118.00 -86.00 16 9.87 37.06 +++++ +++ +*+++ ++ + Angle PSI ALA 112 120.00 144.00 9 5.81 25.06 + +++ + *+++ Angle PHI VAL 113 -146.00 -126.00 12 5.87 17.91 + ++ ++*+++++ + Angle PSI VAL 113 147.00 173.00 9 5.77 16.41 + + +*++ +++ Angle PHI LYS 114 -141.00 -95.00 6 2.86 10.28 + * + + + + Angle PSI THR 115 124.00 174.00 6 4.65 20.03 + + * +++ Angle PHI TYR 116 -124.00 -96.00 10 7.12 20.10 ++++++ +++ * Angle PSI TYR 116 108.00 138.00 11 9.26 27.56 + + ++ + + ++ +*+ Angle PHI MET 117 -145.00 -107.00 8 4.88 14.37 +*+ + ++++ Angle PSI MET 117 118.00 156.00 19 21.60 43.94 ++++++++++++++ +*+++ Angle PHI TRP 118 -127.00 -59.00 19 21.50 42.34 +++++++ +++*++++++++ Angle PSI TRP 118 117.00 157.00 17 15.33 35.76 +++*+++++++ ++++ ++ Angle PHI ILE 119 -72.00 -52.00 11 9.75 31.91 + +++ * ++ ++ ++ Angle PSI ASN 120 -11.00 9.00 7 4.69 18.60 * ++ + ++ + Angle PSI GLU 133 -50.00 -30.00 17 10.54 35.95 + +++ +++*+++++++ ++ Angle PSI GLU 134 -54.00 -34.00 20 32.56 53.13 ++++++++++++*+++++++ Angle PHI TRP 135 -73.00 -53.00 20 19.35 50.26 ++++++++++++*+++++++ Angle PHI LYS 136 -73.00 -53.00 18 18.28 26.60 +++++++++ + ++++*+++ Angle PSI LYS 136 -52.00 -32.00 18 13.68 36.03 +++++++++* +++++ +++ Angle PHI ARG 137 -74.00 -54.00 12 9.65 35.27 + ++ ++ *+++ ++ + Angle PSI ARG 137 -51.00 -31.00 20 20.35 42.56 +++++++++++*++++++++ Angle PHI LEU 138 -91.00 -71.00 9 8.48 37.20 ++ ++ + +*++ Angle PSI LEU 138 -45.00 -15.00 10 12.06 62.99 + ++ *+++ ++ + Angle PSI HIS 139 -41.00 -1.00 19 16.32 30.64 ++++*++++ ++++++++++ Angle PHI LYS 140 -70.00 -50.00 8 4.58 11.19 + + * + ++ ++ Angle PSI LYS 140 -53.00 -33.00 9 8.12 30.72 + ++ * ++++ + Angle PHI LYS 141 -73.00 -53.00 15 13.93 33.84 +++ ++ +++++ +* +++ Angle PSI LYS 141 -51.00 -31.00 15 7.59 18.77 + ++++ ++++++ *+ ++ Angle PHI PHE 143 -76.00 -56.00 9 5.30 17.52 + ++ +*+ +++ Angle PSI PHE 143 -54.00 -34.00 11 7.00 19.33 + + + + +++*++ + Angle PHI ILE 144 -73.00 -53.00 10 7.65 27.70 + ++ ++ + ++*+ Angle PSI ILE 144 -53.00 -33.00 11 8.49 40.07 + * ++ ++ ++++ + Angle PHI GLU 145 -71.00 -51.00 18 16.75 48.54 ++++*++++ +++++ ++++ Angle PSI GLU 145 -51.00 -31.00 9 6.62 20.27 ++ ++ + +++ * Angle PHI THR 146 -79.00 -59.00 10 6.36 21.43 +*+ ++ ++ ++ + Angle PSI THR 146 -48.00 -28.00 12 6.65 15.75 ++ + + + +*++ +++ Angle PHI PHE 147 -77.00 -57.00 6 4.77 19.09 + ++ + + * Angle PSI PHE 147 -50.00 -30.00 10 8.45 33.74 ++ + + + + +* ++ Angle PHI LYS 148 -74.00 -54.00 11 5.04 12.69 ++ + ++ + + + *++ Angle PHI LYS 149 -74.00 -54.00 6 3.57 7.79 + + * + ++ Angle PSI LYS 149 -48.00 -28.00 6 4.47 22.69 + *++ + + Angle PSI GLU 152 -51.00 -31.00 18 7.29 13.01 +++++++ ++++*+ +++++ Angle PHI LYS 154 -82.00 -60.00 18 7.83 9.61 ++++ +++++++ +*+++++ 99 violated distance constraints. 121 violated angle constraints. RMSDs for residues 18..164: Average backbone RMSD to mean : 8.02 +/- 2.19 A (4.82..11.52 A) Average heavy atom RMSD to mean : 8.47 +/- 2.21 A (5.28..11.99 A)