Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 108.15 51 0.1552 1.77 94 71.8 0.57 59 7.7633 39.12 2 111.33 59 0.1588 1.74 101 71.2 0.47 62 7.9779 39.84 3 111.95 52 0.1628 1.83 96 73.3 0.60 52 6.5333 39.52 4 112.86 55 0.1571 1.43 122 78.2 0.53 57 7.4905 42.31 5 120.55 59 0.1639 1.61 130 82.1 0.82 60 6.7210 29.20 6 122.10 71 0.1691 1.54 93 72.9 0.57 51 7.8788 50.45 7 122.40 60 0.1684 1.96 103 72.5 0.66 59 7.8238 42.81 8 123.08 70 0.1651 1.77 91 71.6 0.55 62 9.0903 57.86 9 124.15 62 0.1698 1.85 96 73.2 0.55 64 8.3986 42.83 10 124.36 59 0.1627 1.52 112 78.8 0.78 53 8.4912 48.04 11 124.66 62 0.1748 2.54 88 71.0 0.72 58 7.2474 35.25 12 124.81 61 0.1651 1.66 109 78.4 0.56 55 8.5022 42.73 13 126.00 69 0.1675 1.63 118 77.2 0.53 67 8.5899 50.82 14 129.29 66 0.1707 1.94 111 79.7 0.58 64 8.3619 47.54 15 130.18 66 0.1653 1.57 107 76.4 0.80 64 8.9314 49.59 16 131.93 61 0.1736 2.27 136 82.6 0.77 49 7.2053 38.81 17 131.96 65 0.1714 1.60 126 87.5 0.81 63 7.3519 24.66 18 132.31 70 0.1740 1.64 110 75.6 0.66 51 8.5508 62.07 19 133.19 67 0.1739 1.76 128 87.3 0.57 55 7.6333 38.49 20 133.80 70 0.1749 1.80 137 91.2 0.83 57 7.0312 31.36 Ave 123.95 63 0.1672 1.77 110 77.6 0.65 58 7.8787 42.67 +/- 7.57 6 0.0058 0.25 15 5.8 0.11 5 0.7084 8.91 Min 108.15 51 0.1552 1.43 88 71.0 0.47 49 6.5333 24.66 Max 133.80 71 0.1749 2.54 137 91.2 0.83 67 9.0903 62.07 Cut 0.60 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper HB3 LEU 17 - HD2 HIS 18 4.23 6 0.30 0.96 + ++ *+ + peak 689 Upper H HIS 18 - HB VAL 79 4.26 6 0.33 1.86 ++ + * ++ peak 858 Upper HD2 HIS 18 - HA VAL 79 3.28 15 0.85 1.22 ++ ++ +++*++ +++++ peak 489 Upper HD2 HIS 18 - HA THR 80 3.99 6 0.43 1.94 ++ + ++ * peak 500 Upper H ASN 19 - QG2 VAL 79 4.03 6 0.28 1.27 + + * ++ + peak 212 Upper HA ASN 19 - HA MET 77 4.47 17 1.08 1.83 ++*++ ++++ ++ ++++++ peak 116 Upper HB3 ASN 19 - QD1 LEU 84 4.38 12 0.70 1.71 ++ ++ +++ ++ + + * peak 2621 Upper HD21 ASN 19 - QG2 VAL 71 4.36 11 0.61 1.05 ++ ++++ * ++++ peak 1692 Upper HD22 ASN 19 - QG2 VAL 71 4.22 7 0.46 0.99 + *+ + + ++ peak 1706 Upper H VAL 20 - QG1 VAL 75 3.81 11 0.67 1.27 ++ + ++ ++ ++ * + peak 499 Upper HB VAL 20 - HB2 LEU 76 4.24 10 0.59 1.18 +++++*++ + + peak 1401 Upper HA PHE 21 - QG2 VAL 75 4.28 11 0.72 1.43 +++ +++ + *++ + peak 2424 Upper QD PHE 21 - QG2 VAL 22 3.46 10 0.54 1.23 + + + + ++*+ ++ peak 134 Upper QD PHE 21 - HG3 LYS 74 3.50 6 0.38 0.90 + + * ++ + peak 141 Upper H VAL 22 - H LYS 74 3.96 13 0.77 1.85 ++ +++++*++ + + + peak 1318 Upper H VAL 22 - QG2 VAL 75 4.16 14 0.88 1.81 ++*+ + + + ++ ++++ + peak 1502 Upper HA ASP 28 - HB2 PRO 29 4.39 7 0.58 0.98 + + +* + + + peak 1587 Upper HB2 PRO 29 - H ASP 30 3.46 15 0.69 0.85 +++++ ++*++ + +++ + peak 416 Upper QG2 VAL 31 - HB ILE 32 4.67 6 0.26 0.79 ++ + * + + peak 2668 Upper HB ILE 32 - HG LEU 36 3.33 6 0.49 0.80 + ++ + + * peak 173 Upper QG2 ILE 32 - H ASN 33 3.36 10 0.56 0.75 + ++ ++++ * ++ peak 344 Upper QG2 ILE 32 - HA THR 39 3.95 6 0.48 0.82 + + + + +* peak 1438 Upper HG12 ILE 32 - QD2 LEU 36 3.23 15 0.75 1.20 ++ + +++ ++++ ++++* peak 176 Upper HG13 ILE 32 - QD2 LEU 36 3.22 10 0.62 0.93 ++++ + + ++ +* peak 1427 Upper HA LEU 36 - QD2 LEU 36 3.25 16 0.65 0.88 +++ ++* ++++++++++ peak 209 Upper HA GLU 41 - HB ILE 42 4.27 19 0.74 1.09 ++++*++ ++++++++++++ peak 271 Upper HB3 GLU 41 - H ILE 42 3.39 11 0.61 0.93 ++ + + ++ + * +++ peak 54 Upper H ILE 42 - HG13 ILE 42 3.33 7 0.42 0.73 *+ + + + ++ peak 55 H ILE 42 - QD1 ILE 42 Upper H VAL 43 - H VAL 75 3.76 9 0.61 1.24 + + ++ *+ ++ + peak 830 Upper H ALA 45 - H THR 46 3.79 18 0.66 0.70 +++++++ *++++++++++ peak 507 Upper QB ALA 45 - QG2 THR 46 2.85 11 0.73 1.25 + ++++++ * + ++ peak 289 Upper QB ALA 45 - QG2 VAL 75 2.91 11 0.68 1.16 + *++++++++ + peak 295 Upper HB THR 46 - HD3 PRO 48 3.65 16 0.85 1.07 +++++++* +++ +++++ peak 304 Upper QG2 THR 46 - HG2 PRO 48 3.82 7 0.50 0.80 ++ ++ + + * peak 2479 Upper QG2 THR 46 - H GLY 73 4.50 18 1.06 1.45 + ++++++++++++ ++++* peak 1753 Upper HG LEU 47 - H PHE 50 4.17 6 0.31 1.11 + * + + ++ peak 1734 Upper H PHE 50 - HB2 GLU 70 3.85 9 0.50 0.98 ++++ + * + + + peak 1731 H PHE 50 - HB VAL 71 Upper QD PHE 50 - HB VAL 71 3.78 14 0.87 1.26 ++++++++ +++ +* + peak 175 Upper QD PHE 50 - HG LEU 87 3.65 18 1.04 1.71 +++++ +++++++ +*++++ peak 172 Upper QE PHE 50 - H GLN 51 4.45 18 1.01 1.64 +++++++++++++++ *++ peak 1168 Upper H GLN 51 - HB3 PHE 53 5.22 7 0.49 1.02 * + + + +++ peak 2317 Upper H GLN 51 - QD PHE 53 3.62 18 0.92 1.25 +++ +++++++++*+++++ peak 121 Upper H PHE 53 - HB ILE 63 3.89 9 0.52 1.13 + ++ + ++* + + peak 1464 Upper HB2 LEU 59 - HZ2 TRP 118 4.64 6 0.49 1.02 +* + + + + peak 543 Upper QD1 LEU 59 - QG1 VAL 64 4.70 8 0.50 1.58 ++ ++* + + + peak 2213 Upper HA CYS 62 - QE TYR 95 3.41 12 0.85 2.54 + +++ +* + ++++ + peak 506 Upper H ILE 63 - QE TYR 95 4.66 6 0.25 0.89 + ++ *+ + peak 988 Upper H ILE 63 - HG3 MET 117 4.09 12 0.70 1.49 ++++ ++++ +++ * peak 984 Upper QG2 ILE 63 - HB3 MET 117 4.12 14 0.74 1.53 ++++ ++++ ++++ *+ peak 1730 Upper QD1 ILE 63 - QG1 VAL 64 4.00 14 0.66 0.91 ++ ++ +++ +++ + +*+ peak 2658 Upper QD1 ILE 63 - H VAL 71 4.44 6 0.46 0.88 *+ + + ++ peak 1783 Upper QG2 VAL 71 - HD2 HIS 72 3.56 20 0.90 1.35 +++*++++++++++++++++ peak 421 Upper HD3 LYS 74 - QG1 VAL 75 3.83 6 0.49 1.23 + * + + ++ peak 493 Upper HB3 LEU 76 - H GLY 78 4.00 15 0.82 1.95 ++ ++*++ +++++++ + peak 948 Upper HA MET 77 - H VAL 79 4.32 9 0.63 1.50 +++ +* + + + + peak 1491 Upper HA VAL 79 - HB3 LEU 84 4.69 13 0.66 1.13 ++ +++ + + + ++*++ peak 578 Upper HA ASP 82 - H GLU 85 3.82 15 0.73 1.08 ++*+ ++++ + + ++ +++ peak 463 Upper HB3 ASP 82 - H LEU 84 3.72 9 0.59 1.18 ++ + + + * ++ + peak 199 Upper HA ASN 86 - HB2 LEU 87 5.50 8 0.58 1.00 + + + * +++ + peak 2308 Upper HA ASN 86 - HB3 LEU 87 4.78 17 0.70 0.88 +*+++++ +++ +++ ++++ peak 638 Upper HB3 ASN 86 - QG1 VAL 90 4.65 6 0.35 0.93 + + + +* + peak 2360 Upper HA TYR 95 - H ILE 119 4.13 6 0.36 0.85 +* +++ + peak 770 Upper QD TYR 95 - QG2 ILE 119 4.32 9 0.62 1.73 ++ ++ + ++*+ peak 78 Upper HB VAL 98 - HB THR 99 4.40 8 0.56 0.74 + + ++ + *++ peak 2505 Upper QG2 VAL 98 - QD TYR 116 3.56 14 0.63 1.07 ++++ + ++ +++ +*++ peak 93 Upper HA VAL 100 - H ILE 102 4.28 8 0.52 1.28 ++ + + +++ * peak 584 Upper H ILE 102 - QG2 VAL 103 3.42 12 0.71 1.09 ++ + + ++ ++++ +* peak 573 Upper HB ILE 102 - QG2 VAL 103 3.74 18 0.92 1.33 ++ +++*+++++++ +++++ peak 725 Upper HG13 ILE 102 - H VAL 103 3.76 6 0.39 0.79 *+ ++ + + peak 1119 Upper HB VAL 103 - H MET 111 3.56 12 0.67 1.96 ++ + +* +++++ + + peak 269 Upper QG2 VAL 103 - H ARG 104 3.09 18 0.78 1.16 ++++++++ ++*+ ++++++ peak 4 Upper QG2 VAL 103 - HB2 MET 111 3.33 6 0.45 1.12 + + + + *+ peak 818 Upper QG2 VAL 103 - HG2 MET 111 3.63 7 0.42 0.75 + ++ ++ *+ peak 840 Upper H ARG 104 - HE ARG 104 4.17 12 0.50 0.98 *+ +++ ++ + ++ ++ peak 13 Upper H ARG 104 - H GLU 109 3.92 7 0.59 1.50 ++ + + + * + peak 251 Upper HB2 ARG 104 - H ASP 106 3.66 12 0.67 1.01 +++ ++++ ++ +*+ peak 446 Upper HE3 TRP 118 - HG12 ILE 119 3.71 18 1.02 1.35 +++*++++++++++ +++ + peak 452 Upper HA MET 151 - HG3 GLU 152 4.26 16 0.61 0.65 ++++ ++ +*++++++ ++ peak 1100 VdW CA LEU 15 - CD1 LEU 15 3.00 6 0.11 0.27 + + + +* + VdW HA LEU 15 - CD1 LEU 15 2.60 6 0.15 0.40 + + + ++ * VdW CB LEU 17 - H HIS 18 2.55 9 0.16 0.38 * +++ + + ++ + VdW HB2 HIS 18 - CG1 VAL 79 2.60 6 0.10 0.43 + + + +*+ VdW HD2 HIS 18 - O VAL 79 2.30 10 0.19 0.43 + ++ + + + ++*+ VdW HA ASN 19 - CB LEU 76 2.60 11 0.20 0.34 + + ++++ +*++ + VdW HA ASN 19 - HB3 LEU 76 2.00 8 0.12 0.36 + ++ ++* + + VdW ND2 ASN 19 - HB2 LEU 47 2.45 7 0.12 0.42 + +++ + * + VdW ND2 ASN 19 - CD1 LEU 47 3.05 6 0.12 0.47 ++ + + * + VdW H VAL 20 - HA LEU 76 1.95 12 0.23 0.46 ++ +++ + ++ + + + * VdW CG1 VAL 20 - C VAL 20 2.90 14 0.22 0.33 *+ +++ ++++ + + ++ + VdW O VAL 20 - O VAL 75 2.60 6 0.16 0.77 + + + + + * VdW HA PHE 21 - CB LYS 74 2.60 7 0.15 0.40 + +++ + + * VdW CG1 VAL 22 - C VAL 22 2.90 6 0.09 0.33 + * ++ ++ VdW HA ASP 28 - CD PRO 29 2.60 16 0.24 0.31 +++++ *+ + ++ ++++++ VdW O PRO 29 - N ASN 33 2.75 10 0.22 0.45 ++ + +*+ + ++ + VdW N VAL 31 - CG2 VAL 31 2.85 7 0.10 0.23 ++ + + * + + VdW H VAL 31 - CG2 VAL 31 2.55 8 0.11 0.32 ++ + + *+ + + VdW H ILE 32 - CG1 ILE 32 2.55 8 0.18 0.35 + * + + + + ++ VdW H ILE 32 - HG12 ILE 32 1.95 9 0.15 0.37 + + +++ * +++ VdW CG2 ILE 32 - CD1 LEU 36 3.20 6 0.10 0.36 + + + +* + VdW CG2 ILE 32 - CD2 LEU 36 3.20 7 0.14 0.29 ++ ++ ++ * VdW O ILE 32 - N LEU 36 2.75 11 0.23 0.45 ++ + +* + + + + + + VdW O ILE 32 - H LEU 36 1.80 8 0.18 0.34 ++ + + + + * + VdW HA ASN 33 - H ARG 38 1.95 17 0.32 0.49 ++ * ++++++ ++++++++ VdW HA ASN 33 - O ARG 38 2.30 16 0.29 0.44 ++* ++++ +++++ + +++ VdW O ASN 33 - CA ASP 37 2.90 9 0.23 0.37 + + + + + + + *+ VdW O ASN 33 - HA ASP 37 2.30 20 0.40 0.56 +++++++++*++++++++++ VdW N VAL 34 - CG2 VAL 34 2.85 7 0.10 0.23 ++ +++ * + VdW N LEU 36 - HG LEU 36 2.45 7 0.12 0.36 + + + + * + + VdW O LEU 36 - CB ASP 37 2.90 8 0.12 0.39 ++ ++ + + * + VdW HA THR 39 - CD PRO 40 2.60 20 0.29 0.30 ++++++++++++++++*+++ VdW CG2 THR 39 - C THR 39 2.90 13 0.17 0.31 ++ ++ + ++* +++ ++ VdW CG2 ILE 42 - CD1 ILE 42 3.00 8 0.10 0.26 ++ + + +*++ VdW CG1 ILE 42 - C ILE 42 2.90 6 0.17 0.32 + + + + * + VdW CB ALA 45 - HA VAL 75 2.60 7 0.14 0.57 + + + +*+ + VdW N LEU 47 - O VAL 71 2.75 11 0.23 0.58 +++ ++ + ++*+ + VdW H LEU 47 - O VAL 71 1.80 6 0.10 0.41 + + ++*+ VdW HB3 LEU 47 - HB VAL 71 2.00 10 0.17 0.44 ++ ++++ ++ * + VdW H GLY 49 - C GLY 69 2.45 8 0.15 0.40 ++ + + + + + * VdW O PHE 50 - N GLU 70 2.75 14 0.27 0.43 ++++++ +++++ *+ + VdW N GLN 51 - O VAL 64 2.75 8 0.18 0.40 + + + + + *++ VdW CG GLN 51 - C GLN 51 2.90 11 0.19 0.24 * + + + +++++++ VdW HG3 GLN 51 - C GLN 51 2.50 14 0.25 0.44 ++++++ + + ++*+++ VdW N TYR 60 - HD2 PRO 61 2.45 6 0.17 0.66 + + + + *+ VdW CB TYR 60 - CD PRO 61 3.20 16 0.30 0.68 + ++*++++ +++ +++ ++ VdW CG2 ILE 63 - HE3 TRP 118 2.60 7 0.13 0.39 *+ ++++ + VdW HG13 ILE 63 - N VAL 64 2.45 9 0.17 0.43 ++ ++ ++ +*+ VdW N VAL 64 - CG1 VAL 64 2.85 11 0.16 0.24 ++ + + ++ + + *++ VdW CG2 VAL 64 - C VAL 64 2.90 15 0.22 0.32 +++++ + ++++ + *++ + VdW O LYS 68 - C GLY 69 2.80 8 0.17 0.46 +*+ + + + ++ VdW O LYS 68 - O GLY 69 2.60 6 0.13 0.34 +* ++ + + VdW N HIS 72 - CD2 HIS 72 3.05 13 0.22 0.34 +++ +++ *+ ++++ + VdW H VAL 75 - CG1 VAL 75 2.55 11 0.21 0.43 ++ + +* + ++ + ++ VdW CG2 VAL 75 - C VAL 75 2.90 12 0.20 0.33 ++++ + + ++ ++ +* VdW CG2 VAL 75 - N LEU 76 3.05 8 0.14 0.32 ++++ * ++ + VdW O MET 77 - C GLY 78 2.80 11 0.25 0.47 ++ ++ + + + + + +* VdW CG1 VAL 79 - O VAL 79 2.90 6 0.11 0.39 + +* + + + VdW C THR 80 - H ASP 82 2.45 9 0.20 0.44 +++ ++ ++ + * VdW O SER 81 - CB GLU 85 2.90 12 0.21 0.53 ++ +++ + *++ ++ + VdW O SER 81 - HB2 GLU 85 2.30 6 0.16 0.43 + + + + + * VdW O ASN 86 - N VAL 90 2.75 13 0.23 0.41 +++++ +++++ *++ VdW CD2 LEU 87 - C LEU 87 3.10 7 0.13 0.53 ++ * ++ + + VdW CG1 VAL 90 - N GLU 91 3.05 6 0.11 0.34 *+ + ++ + VdW O GLU 96 - HA TYR 116 2.30 9 0.14 0.28 + + + *+ +++ + VdW N VAL 98 - O THR 115 2.75 7 0.16 0.29 + + + + ++ * VdW CG2 THR 99 - C THR 99 2.90 7 0.19 0.25 + ++ *+ ++ VdW CG1 ILE 102 - C ILE 102 2.90 8 0.11 0.31 ++ + + *++ + VdW CD1 ILE 102 - C ILE 102 3.10 10 0.22 0.50 ++ ++ * +++++ VdW O ILE 102 - O MET 111 2.60 6 0.14 0.40 + + +* ++ VdW HG2 ARG 104 - H ASN 107 1.95 7 0.11 0.47 * + +++ + + VdW HD3 ARG 104 - H SER 108 1.95 6 0.09 0.26 + + + * + + VdW NE ARG 104 - O ARG 104 2.75 6 0.10 0.38 + +++ * + VdW N LYS 114 - CG LYS 114 2.85 6 0.17 0.21 +*+ + + + VdW H TRP 118 - CG TRP 118 2.55 8 0.14 0.40 + ++ ++ + * + VdW N ILE 119 - HG13 ILE 119 2.45 9 0.14 0.31 ++ ++++ ++ * VdW C ASP 123 - H ASP 125 2.45 6 0.10 0.37 + + + + * + VdW CG GLU 134 - C GLU 134 2.90 9 0.11 0.24 + +++ + +*+ + VdW CG2 ILE 144 - C ILE 144 2.90 19 0.27 0.33 ++++++++++++ ++++*++ VdW N GLU 152 - HG2 GLU 152 2.45 14 0.16 0.24 ++++ +++++ +++ *+ Angle PHI HIS 18 -140.00 -116.00 10 8.50 37.16 + + ++ + +* + + + Angle PSI HIS 18 139.00 159.00 20 17.97 30.92 +++++++++++++++++++* Angle PHI ASN 19 -143.00 -93.00 8 5.58 22.75 + + + * ++ + + Angle PSI VAL 20 124.00 144.00 11 6.38 17.20 +++++ + + *+++ Angle PSI PHE 21 124.00 148.00 11 4.65 10.43 ++ +++ +*+ +++ Angle PHI VAL 22 -139.00 -103.00 14 11.70 30.63 ++++++++ + *+ +++ Angle PHI VAL 31 -76.00 -56.00 12 7.04 14.93 +* ++ ++ + ++++ + Angle PHI ILE 32 -73.00 -53.00 16 7.90 14.33 ++ ++++++++++ *+++ Angle PHI ASN 33 -74.00 -54.00 9 4.59 13.50 ++ * ++ + + ++ Angle PSI ASN 33 -52.00 -32.00 19 7.64 12.61 ++++++++++++ *++++++ Angle PHI VAL 34 -81.00 -61.00 9 5.71 13.97 +++ + + +* + + Angle PHI MET 35 -78.00 -58.00 20 13.65 17.21 ++++++++++++*+++++++ Angle PSI MET 35 -35.00 -15.00 6 3.07 7.44 + +* + + + Angle PSI THR 39 120.00 150.00 7 4.83 24.05 + +* ++ ++ Angle PSI PRO 40 116.00 150.00 18 7.10 11.99 +++++++ +++++*+++ ++ Angle PHI VAL 43 -130.00 -110.00 13 8.39 20.62 + + + +*+ ++ ++ +++ Angle PHI SER 44 -115.00 -77.00 13 8.04 23.88 ++++++*+ ++ + ++ Angle PSI SER 44 123.00 143.00 14 8.06 24.71 +++ + +* + +++++++ Angle PSI ALA 45 131.00 157.00 19 11.30 19.95 +++++ ++++++++++*+++ Angle PHI THR 46 -134.00 -92.00 7 4.11 15.72 +* + + + + + Angle PSI THR 46 118.00 138.00 18 9.33 14.65 +*++++++++++++++ ++ Angle PSI LEU 47 94.00 144.00 20 12.60 23.75 +*++++++++++++++++++ Angle PSI PRO 48 133.00 151.00 18 15.36 31.36 ++++++ +++++++++ ++* Angle PHI GLN 51 -165.00 -141.00 6 3.26 8.97 + + + + + * Angle PHI ARG 52 -138.00 -98.00 20 16.17 29.20 ++++*+++++++++++++++ Angle PSI ARG 52 114.00 144.00 12 5.55 10.09 + + +++ ++*++ ++ Angle PSI PHE 53 111.00 141.00 8 4.72 11.81 ++*+ + + ++ Angle PHI CYS 62 -151.00 -119.00 7 4.17 18.57 * + + ++ + + Angle PSI CYS 62 148.00 170.00 9 8.10 29.58 ++ + + ++ ++* Angle PHI ILE 63 -151.00 -129.00 16 13.59 29.11 * +++++++++++++ ++ Angle PSI ILE 63 146.00 170.00 7 3.41 11.74 + +*+ + + + Angle PSI LYS 68 -4.00 20.00 13 6.15 12.15 +++ ++++ + *+++ + Angle PHI VAL 71 -144.00 -114.00 6 3.10 15.35 + ++ + +* Angle PSI VAL 71 120.00 142.00 15 10.18 24.15 +++++++ + + +++ *+ + Angle PHI HIS 72 -126.00 -76.00 6 3.78 24.65 + ++ +* + Angle PSI HIS 72 117.00 165.00 6 3.31 10.06 ++ * + ++ Angle PHI LYS 74 -145.00 -123.00 18 12.55 21.10 +++*++++++ +++++++ + Angle PSI LYS 74 142.00 168.00 19 18.29 38.81 +++++ +++++++++*++++ Angle PHI VAL 75 -136.00 -112.00 19 26.70 57.86 +++++++*+++++++ ++++ Angle PSI VAL 75 117.00 149.00 7 3.51 9.81 + + +*+ + + Angle PHI LEU 76 -116.00 -96.00 6 3.96 23.37 + ++*+ + Angle PSI LEU 76 104.00 128.00 11 8.36 26.88 +* +++ + +++ + + Angle PHI MET 77 -128.00 -72.00 10 6.34 23.63 ++ ++ * ++++ + Angle PSI MET 77 120.00 178.00 17 11.31 25.78 +++++ ++++++++ +++* Angle PHI THR 80 -117.00 -71.00 7 3.49 12.42 + + + + +* + Angle PSI THR 80 159.00 179.00 6 3.78 14.18 + + + ++ * Angle PSI SER 81 -48.00 -28.00 15 12.51 29.26 +++++ ++++ +++ ++ * Angle PSI ASP 82 -52.00 -32.00 19 13.98 20.19 ++++++++++*++ ++++++ Angle PHI GLU 83 -78.00 -58.00 15 9.92 24.38 ++++ ++++ + * ++ +++ Angle PSI ASN 86 -49.00 -29.00 11 5.36 14.94 + ++ +++++ * ++ Angle PHI LEU 87 -71.00 -51.00 7 4.05 12.42 + + + + ++ * Angle PHI ASP 88 -73.00 -53.00 13 11.32 23.72 ++++++++ +++ + * Angle PHI ALA 89 -77.00 -57.00 7 4.39 18.58 + +++ * ++ Angle PSI ALA 89 -47.00 -27.00 10 4.71 16.69 ++ ++ +* ++ ++ Angle PHI VAL 90 -71.00 -51.00 9 4.54 14.53 + + +* + ++ ++ Angle PSI VAL 90 -57.00 -37.00 7 6.72 48.04 + + + * + + + Angle PHI GLU 91 -77.00 -57.00 8 6.45 47.74 +++ + + *+ + Angle PHI TYR 95 -144.00 -114.00 7 4.76 19.79 +++ + + + * Angle PSI TYR 95 142.00 162.00 9 7.21 33.16 + ++ + *++ ++ Angle PHI ARG 97 -112.00 -88.00 6 2.94 9.20 + + + + *+ Angle PHI ILE 102 -142.00 -112.00 9 4.61 16.88 + ++ +++++ * Angle PSI ILE 102 141.00 165.00 9 5.53 12.59 + ++ + ++ + *+ Angle PHI VAL 103 -130.00 -84.00 18 12.35 36.96 +++++++++++*++ ++ ++ Angle PSI VAL 103 108.00 152.00 9 5.16 13.81 ++++ + ++ + * Angle PHI GLU 105 -69.00 -49.00 9 9.22 36.00 ++ +++ ++ +* Angle PSI GLU 105 -55.00 -35.00 17 12.66 22.53 ++ +++++*+++++ ++ ++ Angle PHI ASP 106 -81.00 -55.00 6 6.51 62.07 + + + + * + Angle PHI SER 108 -88.00 -50.00 10 5.52 23.15 ++ + ++* + ++ + Angle PSI SER 108 -45.00 9.00 7 4.21 28.62 + ++ + +*+ Angle PHI MET 111 -157.00 -93.00 7 4.12 18.77 *+ + +++ + Angle PSI MET 111 134.00 160.00 7 2.92 7.40 + + + ++* + Angle PHI ALA 112 -119.00 -87.00 11 6.99 16.92 ++ + ++ +*+++ + Angle PSI ALA 112 118.00 144.00 17 9.44 20.27 *++++++ ++++++++ ++ Angle PHI VAL 113 -146.00 -126.00 7 3.06 13.00 ++ + + + * + Angle PSI VAL 113 147.00 173.00 11 5.16 12.05 + +*+ +++++ + + Angle PSI MET 117 113.00 151.00 14 28.10 50.82 ++++ ++++ +*++ ++ Angle PHI TRP 118 -103.00 -65.00 14 18.47 49.59 ++++ ++++ +++* ++ Angle PHI ILE 119 -78.00 -50.00 8 7.26 37.46 +++ ++ +*+ Angle PSI ILE 119 -43.00 -21.00 7 4.75 16.50 * + + +++ + Angle PHI ASN 120 -107.00 -79.00 6 3.85 17.10 + +++ *+ Angle PHI PHE 143 -76.00 -56.00 14 5.28 7.79 ++++ + + *++ +++++ Angle PSI ILE 144 -54.00 -34.00 19 10.84 15.08 ++++++++++++ ++++++* Angle PHI GLU 145 -72.00 -52.00 20 6.63 11.40 ++++++++++++*+++++++ 78 violated distance constraints. 83 violated angle constraints. RMSDs for residues 18..164: Average backbone RMSD to mean : 10.21 +/- 2.51 A (6.56..15.33 A) Average heavy atom RMSD to mean : 10.45 +/- 2.40 A (7.10..15.46 A)