Structural statistics: str target upper limits van der Waals torsion angles function # sum max # sum max # sum max 1 185.68 41 193.2 3.70 121 76.7 0.73 42 530.7 31.37 2 187.35 38 199.0 3.64 126 79.2 0.65 49 601.8 33.00 3 190.59 37 195.9 3.88 117 73.3 0.68 44 561.5 32.80 4 196.45 43 204.4 3.73 120 77.9 0.75 41 538.5 30.06 5 196.87 44 207.0 3.68 129 76.5 0.72 47 601.0 37.71 6 198.63 44 199.9 3.73 137 83.5 0.74 45 660.7 38.14 7 198.91 42 200.5 3.73 159 88.4 0.72 46 574.9 37.27 8 200.01 43 204.9 3.57 142 81.1 0.74 47 575.7 30.40 9 201.08 42 205.8 3.67 126 78.2 0.77 46 663.9 37.32 10 201.40 43 206.4 3.69 135 81.7 0.80 49 666.1 33.26 11 201.68 41 212.0 3.38 146 86.2 0.65 51 619.2 32.95 12 204.87 42 213.7 3.54 147 83.4 0.68 47 611.0 39.93 13 205.61 49 208.8 3.58 126 78.3 0.61 46 619.5 28.60 14 206.30 51 203.7 3.66 158 90.1 0.77 47 636.6 30.85 15 206.36 54 217.0 3.18 121 75.0 0.76 45 656.5 33.76 16 207.89 45 211.9 3.37 151 88.9 0.78 40 565.3 34.28 17 207.90 41 206.2 3.63 139 83.1 0.85 42 626.3 32.69 18 211.49 56 215.2 3.05 152 88.4 0.76 49 674.6 31.78 19 214.83 52 219.8 3.05 149 88.3 0.80 48 677.2 35.48 20 216.21 55 219.1 3.01 146 85.2 0.72 49 701.6 28.41 Ave 202.00 45 207.2 3.52 137 82.2 0.73 46 618.1 33.50 +/- 8.00 5 7.3 0.25 13 5.0 0.06 3 48.0 3.17 Min 185.68 37 193.2 3.01 117 73.3 0.61 40 530.7 28.41 Max 216.21 56 219.8 3.88 159 90.1 0.85 51 701.6 39.93 Constraints violated in 6 or more structures: Cutoffs: Upper distance limits : 0.90 A Lower distance limits : 0.20 A Angle constraints : 5.00 deg # mean max. 1 5 10 15 20 Upper HN GLY 57 - HE22 GLN 59 4.99 9 0.63 1.34 *+ ++ ++ +++ # peak 399 # SUP 3.36 HN GLY 57 - HZ PHE 92 # SUP 1.11 HN GLY 57 - QD PHE 92 # SUP 0.64 Upper HN SER 111 - HA GLU- 114 4.40 10 0.88 1.27 ++ + + + ++ + * + # peak 555 # SUP 5.14 HA GLU- 85 - HN SER 111 # SUP 2.25 Upper HN HIS 51 - HB2 GLN 64 5.50 8 0.83 1.23 ++++ + ++ * # peak 786 # SUP 3.94 HN HIS 51 - QG GLU- 54 # SUP 1.87 HN HIS 51 - HG2 PRO 97 # SUP 1.32 HN HIS 51 - HG2 PRO 58 # SUP 0.25 HN HIS 51 - HB VAL 119 # SUP 0.09 Upper HG LEU 89 - HN GLN 91 3.62 19 1.30 1.62 ++++ ++++++++++++*++ # peak 1156 # SUP 4.95 HB3 LEU 73 - HN GLN 91 # SUP 1.53 HB2 LEU 62 - HN GLN 91 # SUP 0.69 Upper QG2 VAL 88 - HN GLN 91 4.22 11 0.89 1.03 + + ++ ++ + * +++ # peak 1160 # SUP 3.90 HN GLN 91 - QG1 VAL 119 # SUP 1.35 HB3 LEU 73 - HN GLN 91 # SUP 1.53 Upper HB2 ARG+ 103 - HN GLN 105 3.50 10 0.94 1.46 *++++ + ++ ++ # peak 1217 # SUP 4.29 HG LEU 93 - HN GLN 105 # SUP 1.48 HN GLN 105 - HB2 PRO 109 # SUP 0.96 Upper HB VAL 104 - HN GLN 107 3.52 15 0.98 1.23 ++++ ++ ++ +++*+++ # peak 1234 # SUP 3.60 HN GLN 107 - HB2 PRO 109 # SUP 2.35 HB2 ARG+ 103 - HN GLN 107 # SUP 1.93 QG PRO 75 - HN GLN 107 # SUP 0.18 HN GLN 107 - HB3 PRO 126 # SUP 0.02 HN GLN 107 - QB ARG+ 123 # SUP 0.11 QB GLU- 76 - HN GLN 107 # SUP 0.02 Upper HG3 PRO 98 - HN GLN 101 4.46 10 0.85 1.66 +*+ + + + ++++ # peak 1563 # SUP 2.32 HG3 PRO 98 - HN GLY 127 # SUP 0.26 HG3 PRO 40 - HN SER 79 # SUP 0.22 HG3 PRO 40 - HN LEU 68 # SUP 0.02 HG3 PRO 40 - HN LEU 89 # SUP 0.02 HG3 PRO 40 - HN ALA 116 # SUP 0.02 Upper HG3 GLU- 60 - QB ALA 61 4.07 18 1.33 1.66 +++++++ ++++++*++++ # peak 1606 # SUP 4.77 QB ALA 61 - HB VAL 88 # SUP 0.62 QB ALA 61 - HB2 LEU 87 # SUP 0.25 QB ALA 61 - HB2 PRO 126 # SUP 0.02 QB ALA 61 - QG GLU- 99 # SUP 0.02 Upper QB ALA 61 - HG3 GLU- 113 4.03 20 1.54 2.07 ++++++++++++*+++++++ # peak 1608 # SUP 3.18 HG3 PRO 58 - QB ALA 61 # SUP 1.51 Upper QB ALA 116 - HN VAL 119 3.85 8 0.79 1.08 *+ ++ ++++ # peak 1660 # SUP 0.85 HN GLN 91 - QB ALA 116 # SUP 0.82 Upper HD2 ARG+ 44 - HB2 LEU 45 4.13 7 0.64 1.68 + +* + +++ # peak 1818 # SUP 5.94 HD2 ARG+ 44 - HB3 LEU 73 # SUP 3.09 HD2 ARG+ 44 - HG2 ARG+ 70 # SUP 0.02 HD2 ARG+ 44 - QE MET 83 # SUP 0.02 HD2 ARG+ 44 - HB2 LEU 86 # SUP 0.02 HD2 ARG+ 44 - QB LEU 84 # SUP 0.02 HD2 ARG+ 44 - HG LEU 89 # SUP 0.02 Upper HA PHE 50 - HB2 HIS 51 4.60 19 1.02 1.15 +++*++++++++ +++++++ # peak 2041 # SUP 5.16 HB2 HIS 51 - HA GLN 64 # SUP 2.40 Upper HB3 HIS 51 - HB2 GLN 64 4.29 19 1.48 2.00 ++++++++*+++ +++++++ # peak 2042 # SUP 3.94 HB3 HIS 51 - HG2 PRO 97 # SUP 1.22 HB3 HIS 51 - QG GLU- 54 # SUP 1.49 HB3 HIS 51 - HG2 PRO 58 # SUP 0.25 HB3 HIS 51 - HB VAL 119 # SUP 0.09 Upper HB3 HIS 51 - QG GLU- 53 4.54 10 0.84 1.07 + + + + + ++++* # peak 2043 # SUP 4.74 HB3 HIS 51 - HB3 GLN 64 # SUP 2.93 HB3 HIS 51 - QG GLU- 90 # SUP 0.18 Upper HA GLU- 54 - HA THR 56 4.81 15 0.94 1.20 ++++++++++*+ + ++ # peak 2111 # SUP 5.46 HA THR 56 - HD3 PRO 58 # SUP 2.11 Upper HA ALA 55 - QG2 THR 56 4.26 17 1.25 1.72 +++++++ ++++ + +++*+ # peak 2114 # SUP 5.48 Upper HB3 LEU 62 - HN ALA 116 4.48 6 0.71 1.16 *+ + + ++ # peak 2297 # SUP 3.69 HN GLN 59 - HB3 LEU 62 # SUP 5.23 HB3 LEU 62 - HN LEU 89 # SUP 1.09 HB3 LEU 62 - HN LEU 68 # SUP 0.02 Upper HB3 LEU 73 - QG GLN 82 3.53 18 1.31 1.97 *+++ +++++ +++++++++ # peak 2617 # SUP 3.91 HG3 GLN 71 - HB3 LEU 73 # SUP 8.12 QG GLN 82 - QD1 LEU 118 # SUP 0.02 QG GLN 82 - QD2 LEU 118 # SUP 0.02 HG3 GLN 71 - QD1 LEU 118 # SUP 0.02 HG3 GLN 71 - QD2 LEU 118 # SUP 0.02 QG1 VAL 77 - QG GLN 82 # SUP 0.02 Upper HB3 ARG+ 74 - HA PRO 75 3.50 13 0.99 1.26 +++ +++*++++ ++ # peak 2693 # SUP 6.51 HA PRO 75 - HG LEU 84 # SUP 4.15 HA PRO 75 - HG LEU 86 # SUP 0.46 Upper HN LEU 73 - HD3 PRO 75 5.02 9 0.53 1.26 + ++++ + + +* # peak 2703 # SUP 4.30 HD3 PRO 75 - HN ARG+ 108 # SUP 5.13 Upper HN LEU 73 - HD2 PRO 75 4.77 7 0.51 1.42 + ++ ++ + * # peak 2707 # SUP 3.40 HD2 PRO 75 - HN ARG+ 108 # SUP 5.08 Upper HN SER 79 - HA GLN 82 3.68 8 0.79 1.15 + + + + ++*+ # peak 2933 # SUP 2.39 Upper HB3 LEU 73 - QB LEU 84 3.30 6 0.61 1.46 + + + * + + # peak 2999 # SUP 12.09 QB LEU 84 - HB3 LEU 89 # SUP 2.62 QB LEU 84 - HB3 LEU 86 # SUP 3.86 Upper HB3 LEU 73 - QD2 LEU 86 2.40 6 0.59 1.82 + + + +*+ # peak 3049 # SUP 10.18 QD2 LEU 86 - QD1 LEU 87 # SUP 6.35 QD1 LEU 84 - QD2 LEU 86 # SUP 2.67 QD2 LEU 86 - QD2 LEU 89 # SUP 0.68 Upper HB3 LEU 73 - HB2 LEU 87 3.47 14 1.07 1.80 +++++++ + ++++ *+ # peak 3129 # SUP 8.59 HB2 LEU 87 - HG LEU 89 # SUP 0.94 HB2 LEU 87 - HB3 ARG+ 108 # SUP 0.96 HG2 ARG+ 70 - HB2 LEU 87 # SUP 0.68 QD LYS+ 80 - HB2 LEU 87 # SUP 0.60 Upper HB3 LEU 73 - QG PRO 75 3.78 12 1.03 1.74 + +++ +++*+ + + + # peak 3264 # SUP 5.08 QG PRO 75 - QD1 LEU 86 # SUP 0.47 HB3 LEU 73 - HG LEU 93 # SUP 0.48 Upper HA LEU 93 - QB ALA 95 4.29 18 1.08 1.40 ++++++++++++ ++++*+ # peak 3274 # SUP 8.66 HB3 LEU 73 - HA LEU 93 # SUP 0.62 Upper QD2 LEU 93 - HA LEU 96 4.48 9 0.81 1.34 ++ ++ *+++ + # peak 3288 # SUP 3.89 HA GLU- 85 - QD2 LEU 93 # SUP 0.75 QD2 LEU 93 - HA GLU- 114 # SUP 1.02 HD2 PRO 58 - QD2 LEU 93 # SUP 0.02 HA TYR 52 - QD2 LEU 93 # SUP 0.02 Upper QB ALA 95 - QD2 LEU 96 4.29 11 0.86 1.28 ++ +* +++++ ++ # peak 3311 # SUP 5.63 Upper HA1 GLY 94 - HB2 LEU 96 4.68 7 0.74 1.14 + ++ *+ + + # peak 3340 # SUP 1.34 HA2 GLY 94 - HB2 LEU 96 # SUP 2.20 HB2 LEU 96 - HA VAL 104 # SUP 0.75 HA LEU 62 - HB2 LEU 96 # SUP 0.02 HB2 LEU 96 - HA GLU- 113 # SUP 0.02 Upper HN LEU 96 - HG2 PRO 97 4.79 14 0.98 1.25 +++ +* + + +++ ++++ # peak 3431 # SUP 7.22 QD PHE 92 - HG2 PRO 97 # SUP 4.64 HZ PHE 92 - HG2 PRO 97 # SUP 3.04 HE22 GLN 59 - HG2 PRO 97 # SUP 0.02 Upper QB ALA 102 - QQG VAL 104 3.34 13 0.83 1.27 ++ + +* + +++ + +++ # peak 3593 # SUP 9.89 QQG VAL 104 - HB3 LEU 118 # SUP 1.78 Upper HA ARG+ 74 - HD2 PRO 109 3.54 20 2.61 3.17 ++++++++++++++++*+++ # peak 3679 # SUP 1.91 HD2 PRO 109 - HD2 PRO 112 # SUP 0.90 HA ALA 102 - HD2 PRO 109 # SUP 0.02 HA GLU- 99 - HD2 PRO 109 # SUP 0.02 Upper HB3 LEU 73 - HN GLU- 85 3.99 20 1.54 2.27 +++++++++++*++++++++ # peak 3908 # SUP 5.95 HB3 LEU 73 - HN GLN 82 # SUP 6.95 HE21 GLN 71 - HB3 LEU 73 # SUP 6.11 HN ALA 43 - HB3 LEU 73 # SUP 3.29 HN ALA 42 - HB3 LEU 73 # SUP 0.29 Upper HG3 GLN 101 - QB ALA 102 4.46 16 1.13 1.58 ++* + ++++++++ ++++ # peak 4091 # SUP 6.05 HG3 GLN 101 - HB3 LEU 118 # SUP 0.02 Upper QD TYR 52 - HA ALA 55 4.17 6 0.69 1.49 + + + +*+ # peak 44 # SUP 5.21 QD TYR 52 - HA THR 56 # SUP 5.55 QD TYR 52 - HB THR 56 # SUP 5.88 Upper QE TYR 52 - HA ALA 55 4.25 11 0.91 1.41 +++ + +++ + +*+ # peak 47 # SUP 5.23 QE TYR 52 - HA THR 56 # SUP 5.48 QE TYR 52 - HB THR 56 # SUP 5.30 Upper HE1 HIS 51 - HA GLU- 53 4.97 20 1.53 1.70 ++++++++++*+++++++++ # peak 64 # SUP 4.11 HE1 HIS 51 - HA THR 56 # SUP 0.30 HE1 HIS 51 - HA ALA 55 # SUP 0.82 Upper HA PHE 50 - HD2 HIS 51 4.88 11 0.91 1.10 +++ + *+ ++ +++ # peak 69 # SUP 4.69 HD2 HIS 51 - HA TYR 52 # SUP 4.59 HD2 HIS 51 - HA GLN 64 # SUP 0.76 Upper HE3 TRP 72 - HB3 LEU 73 4.68 10 0.80 1.74 + ++ ++ +++ *+ # peak 208 # SUP 11.16 QD2 LEU 68 - HE3 TRP 72 # SUP 1.43 HG LEU 65 - HE3 TRP 72 # SUP 0.30 Upper HA CYS 69 - HZ3 TRP 72 4.85 9 0.75 1.52 ++ + ++ ++ *+ # peak 213 # SUP 4.07 HZ3 TRP 72 - HD3 ARG+ 108 # SUP 0.02 Upper HD1 TRP 72 - QD2 LEU 73 4.84 7 0.57 1.24 + *+ + + ++ # peak 227 # SUP 7.76 Upper QE TYR 52 - QB ALA 55 4.88 10 0.96 1.34 +++ + ++ + ++* # peak 235 # SUP 6.37 QE TYR 52 - QB ALA 102 # SUP 0.11 Upper QD TYR 52 - QB ALA 55 5.00 6 0.78 1.11 ++ + +*+ # peak 247 # SUP 6.83 QD TYR 52 - HB3 LEU 118 # SUP 0.24 Upper HA CYS 49 - HE1 HIS 51 5.32 20 1.60 1.85 *+++++++++++++++++++ # peak 254 # SUP 2.16 Upper HB2 CYS 49 - HE1 HIS 51 5.50 9 0.85 1.39 ++ + * + ++ ++ # peak 256 # SUP 2.11 HE1 HIS 51 - HB2 PHE 92 # SUP 0.02 HE1 HIS 51 - HD2 ARG+ 66 # SUP 0.02 Upper HE1 HIS 51 - HB2 GLU- 53 4.80 17 1.42 1.81 +++++++*++++ ++++ + # peak 259 # SUP 2.23 HE1 HIS 51 - QB GLU- 54 # SUP 2.23 HE1 HIS 51 - HG LEU 93 # SUP 0.02 HE1 HIS 51 - QG PRO 75 # SUP 0.02 HE1 HIS 51 - HB3 GLU- 60 # SUP 0.02 Upper HA LEU 73 - HN MET 83 3.88 6 0.65 1.27 ++ +++ * # peak 3060 # SUP 4.24 QD ARG+ 74 - HN MET 83 # SUP 2.18 HD2 ARG+ 70 - HN MET 83 # SUP 0.75 HD2 ARG+ 78 - QD1 LEU 86 # SUP 0.75 HE2 LYS+ 80 - QD1 LEU 86 # SUP 0.11 HA CYS 69 - QD1 LEU 86 # SUP 0.12 HD2 ARG+ 66 - QD1 LEU 86 # SUP 0.02 QD1 LEU 86 - HB2 PHE 92 # SUP 0.02 HB2 CYS 49 - QD1 LEU 86 # SUP 0.02 Upper HB3 LEU 73 - HA MET 83 3.64 10 0.83 1.73 + ++++ ++++ * # peak 2643 # SUP 10.12 HN ARG+ 44 - HB3 TRP 72 # SUP 2.78 HN ARG+ 48 - HB3 TRP 72 # SUP 1.12 Upper HB3 LEU 73 - HA MET 83 3.62 14 1.09 1.95 + +++ ++++*++++ + # peak 441 # SUP 10.12 QE PHE 47 - HN LEU 93 # SUP 1.19 HZ2 TRP 72 - HN LEU 93 # SUP 0.73 HN LEU 93 - HN ILE 100 # SUP 0.55 HN TRP 72 - HN LEU 93 # SUP 0.34 HN LEU 93 - HN ARG+ 103 # SUP 0.02 Upper HA PHE 47 - QD2 LEU 68 3.61 13 0.87 1.52 + +++*+++ ++ +++ # peak 1733 # SUP 6.00 QG2 VAL 77 - HD3 ARG+ 108 # SUP 3.71 Upper HG3 GLU- 114 - QD2 LEU 118 3.40 6 0.58 1.53 + + +*+ + # peak 307 # SUP 5.15 HB3 LEU 73 - HG3 GLU- 114 # SUP 1.38 QG1 VAL 88 - HG3 GLU- 114 # SUP 2.02 HG3 GLU- 114 - QD1 LEU 118 # SUP 2.50 QD1 LEU 93 - HG3 GLU- 114 # SUP 0.94 QD PHE 47 - QG ARG+ 66 # SUP 2.47 QD PHE 47 - HB3 LEU 73 # SUP 2.17 QD PHE 47 - QG ARG+ 74 # SUP 0.17 Upper HN PHE 50 - QD2 LEU 65 3.16 7 0.82 1.38 + + * + ++ + # peak 1632 # SUP 3.57 HG2 ARG+ 44 - HN PHE 50 # SUP 0.02 QB ALA 43 - HA TRP 72 # SUP 5.50 Upper HN ARG+ 74 - HA ARG+ 108 3.66 20 3.52 3.88 ++*+++++++++++++++++ # peak 2674 # SUP 8.26 HN ARG+ 74 - HA GLN 107 # SUP 2.34 HN ARG+ 48 - HA ALA 61 # SUP 0.17 QG ARG+ 74 - HN GLN 107 # SUP 1.73 QG ARG+ 74 - HE21 GLN 107 # SUP 1.12 QG ARG+ 74 - HN SER 111 # SUP 0.37 Upper HA ARG+ 74 - HN ARG+ 108 3.55 8 0.76 1.27 + +++ + + *+ # peak 220 # SUP 5.44 HN ARG+ 108 - HD2 PRO 112 # SUP 2.53 HA ALA 102 - HN ARG+ 108 # SUP 0.38 HA GLU- 99 - HN ARG+ 108 # SUP 0.52 HA PRO 98 - HN ARG+ 108 # SUP 0.12 HA GLU- 67 - HN GLN 71 # SUP 4.67 HN GLN 71 - HA LEU 86 # SUP 0.42 HA1 GLY 39 - HN GLN 71 # SUP 0.24 Upper HN ARG+ 74 - QG ARG+ 108 3.68 6 0.72 1.35 + + + ++* # peak 228 # SUP 5.53 QE TYR 52 - HD3 PRO 97 # SUP 6.23 Upper HD2 ARG+ 70 - HN ARG+ 74 4.36 8 0.79 1.28 ++* +++ ++ # peak 184 # SUP 6.75 HB THR 56 - HE22 GLN 64 # SUP 3.30 HA ALA 55 - HE22 GLN 64 # SUP 1.71 HA THR 56 - HE22 GLN 64 # SUP 2.34 Angle PHI GLU- 41 285.00 305.00 9 4.22 12.05 *+ ++++ + + + Angle PHI ALA 42 285.00 305.00 7 2.94 8.63 * ++++ + + Angle PSI ALA 43 311.00 331.00 9 4.35 14.89 + ++ + +* + ++ Angle PHI ARG+ 44 289.00 309.00 18 8.15 11.19 + +++ ++++*+++++++++ Angle PSI ARG+ 44 306.00 326.00 14 6.09 11.13 + +++ *+++++++ ++ Angle PSI ARG+ 46 312.00 332.00 9 5.39 18.95 ++ +++ ++*+ Angle PHI PHE 47 286.00 306.00 15 7.71 15.64 + ++*++++++ + +++ + Angle PHI ARG+ 48 269.00 299.00 19 17.34 30.75 ++++ ++++++++++++*++ Angle PSI ARG+ 48 326.00 356.00 15 9.83 16.47 +++*++++ ++ ++ +++ Angle PSI PHE 50 120.00 140.00 16 10.38 24.97 ++++ +++++++*++ ++ Angle PHI HIS 51 232.00 270.00 8 6.92 22.47 +++ + + *++ Angle PHI TYR 52 254.00 292.00 18 10.45 26.27 +++ +++ ++*+++++++++ Angle PSI TYR 52 120.00 140.00 20 31.94 39.93 +++++++++++*++++++++ Angle PHI GLU- 54 290.00 310.00 20 11.53 16.53 +++++++++++++++++*++ Angle PHI ALA 55 280.00 302.00 13 6.03 11.47 ++ + * + +++ +++++ Angle PSI THR 56 345.00 15.00 17 12.12 19.91 +* +++++++++ ++++++ Angle PSI PRO 58 319.00 329.00 11 5.66 14.04 ++ ++ +*++ ++ + Angle PHI GLN 59 283.00 303.00 16 9.98 17.44 ++ ++++ ++++ +++ *++ Angle PSI GLU- 60 306.00 326.00 11 6.21 13.29 + ++ ++++ *+ ++ Angle PHI ALA 61 288.00 308.00 18 9.14 15.98 ++*+++++++++ +++++ + Angle PSI ALA 61 307.00 327.00 13 7.54 16.48 +*+ ++ +++ +++ ++ Angle PHI GLN 64 282.00 302.00 14 7.67 14.71 ++++ ++ ++*++ +++ Angle PHI ARG+ 66 284.00 304.00 7 4.12 18.98 ++ + + ++ * Angle PHI GLU- 67 281.00 301.00 8 4.33 15.88 + + ++ *+++ Angle PHI CYS 69 284.00 304.00 10 5.72 15.56 +*+ + +++++ + Angle PHI ARG+ 70 287.00 307.00 15 7.56 13.96 +*+++++++ ++ + + ++ Angle PHI GLN 71 284.00 304.00 6 3.83 19.86 ++ + *+ + Angle PSI VAL 77 331.00 355.00 15 7.07 13.71 ++ *+++ ++++++ ++ + Angle PSI SER 79 155.00 175.00 7 3.63 12.00 + +++ ++ * Angle PSI LYS+ 80 312.00 332.00 13 8.18 30.19 + +++ ++++++* ++ Angle PHI GLU- 81 287.00 307.00 15 11.35 37.32 +++++++ *+++ ++ + + Angle PSI GLU- 81 310.00 330.00 18 14.07 32.58 ++++++++*+++ +++++ + Angle PHI GLN 82 284.00 304.00 13 14.12 32.60 + +++ ++++++* ++ Angle PSI GLN 82 312.00 332.00 14 7.18 21.25 ++ ++++*++ + ++++ Angle PHI MET 83 285.00 305.00 19 16.65 28.92 ++ ++++++++++*++++++ Angle PSI MET 83 308.00 328.00 10 8.40 35.48 + + ++++ +++ * Angle PHI LEU 84 287.00 307.00 14 8.09 22.88 +++ + ++++ +++++* Angle PSI LEU 84 308.00 328.00 6 3.10 10.87 + + + ++* Angle PHI GLU- 85 285.00 305.00 9 5.35 14.42 + +*+ + ++ + + Angle PSI GLU- 85 306.00 326.00 8 4.05 14.80 + + + ++ + +* Angle PHI LEU 86 286.00 306.00 11 8.61 28.50 + ++ +++* ++ ++ Angle PHI LEU 87 283.00 303.00 20 18.11 31.15 ++++++*+++++++++++++ Angle PSI LEU 87 309.00 329.00 9 4.85 14.86 + + + ++ + +*+ Angle PHI VAL 88 282.00 302.00 18 9.45 17.34 +++*+ +++++ ++++++++ Angle PHI LEU 89 290.00 310.00 6 2.38 6.94 + + + ++ * Angle PSI LEU 89 303.00 323.00 11 6.63 13.49 ++++ ++ ++ +*+ Angle PHI GLU- 90 287.00 307.00 9 4.57 13.30 + *+ + ++ ++ + Angle PSI GLU- 90 308.00 328.00 8 4.88 12.31 ++ *+ ++ ++ Angle PHI GLN 91 286.00 306.00 20 15.41 23.39 +++++++++++++++++*++ Angle PHI PHE 92 286.00 306.00 14 7.66 16.35 +++ + ++++ ++ *+++ Angle PSI PRO 97 132.20 154.90 20 15.65 21.01 ++++++++++++++++*+++ Angle PHI GLU- 99 284.00 304.00 12 5.33 11.97 ++ + ++ +++++ * + Angle PHI ILE 100 287.00 307.00 20 22.48 33.76 ++++++++++++++*+++++ Angle PHI GLN 101 289.00 309.00 8 3.37 10.00 +++ + + + *+ Angle PSI GLN 101 309.00 329.00 10 4.61 16.14 + + +++ + ++* + Angle PHI ALA 102 288.00 308.00 7 4.05 15.30 * + + ++ + + Angle PHI ARG+ 103 287.00 307.00 10 4.52 10.75 ++ *++ ++ +++ Angle PSI ARG+ 103 307.00 327.00 12 6.64 14.58 *+ + ++ + + ++ +++ Angle PHI GLN 105 288.00 308.00 7 3.50 10.50 * ++ ++ + + Angle PHI GLY 106 281.00 301.00 10 4.86 18.42 + + + +++ *+ ++ Angle PHI GLY 110 58.00 92.00 9 6.38 21.66 + +* +++ ++ + Angle PSI GLY 110 350.00 46.00 6 4.04 8.89 + + + * + + 58 violated distance constraints. 62 violated angle constraints. RMSDs for residues 40..122: Average backbone RMSD to mean : 0.88 +/- 0.24 A (0.55..1.45 A) Average heavy atom RMSD to mean : 1.39 +/- 0.20 A (1.05..1.84 A)