Structural statistics: str target upper limits van der Waals torsion angles function # sum max # sum max # sum max 1 214.22 37 147.7 1.91 95 68.2 0.78 53 1197.6140.32 2 221.89 42 157.2 2.55 98 71.7 0.80 65 1360.3149.33 3 222.96 41 150.5 2.39 105 74.9 0.68 56 1246.8137.60 4 223.28 42 162.8 3.43 137 84.2 0.93 59 1123.9 82.48 5 225.48 29 157.8 2.04 126 79.4 0.88 62 1215.5133.85 6 226.78 37 153.2 1.93 110 73.0 0.63 52 1295.5138.48 7 228.20 41 163.1 2.35 104 70.9 0.77 66 1314.5140.41 8 229.17 38 152.8 1.95 131 77.7 0.75 54 1173.8133.17 9 229.58 41 152.3 1.74 106 73.0 0.74 63 1355.0136.85 10 231.86 39 156.5 1.81 143 89.3 0.68 68 1375.7147.47 11 233.86 37 157.3 1.99 124 78.2 0.81 63 1399.7139.06 12 236.09 42 175.2 3.51 128 82.6 0.80 59 1019.0105.82 13 236.25 41 167.7 2.90 117 83.2 0.82 71 1253.0136.66 14 239.60 47 161.9 1.88 133 82.4 0.96 60 1219.5135.62 15 240.67 42 163.6 2.60 138 85.0 0.73 56 1045.1151.79 16 240.85 42 165.9 1.89 137 87.2 0.96 55 1221.9139.76 17 241.21 41 155.7 2.25 131 83.4 0.75 71 1511.3135.11 18 241.41 37 164.5 2.19 137 81.4 0.88 58 1147.9120.20 19 241.52 40 161.6 2.02 121 82.9 1.06 69 1398.9136.99 20 242.84 43 152.7 1.95 142 81.7 0.73 56 1342.8137.37 Ave 232.39 40 159.0 2.26 123 79.5 0.81 61 1260.9133.92 +/- 8.07 3 6.6 0.50 15 5.7 0.11 6 122.0 15.14 Min 214.22 29 147.7 1.74 95 68.2 0.63 52 1019.0 82.48 Max 242.84 47 175.2 3.51 143 89.3 1.06 71 1511.3151.79 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 PHE 9 - QE LYS+ 11 5.01 6 0.60 1.29 + + + + +* # peak 745 # SUP 1.49 HN PHE 9 - HD3 ARG+ 88 # SUP 0.02 HN PHE 9 - HB2 ASP- 89 # SUP 0.13 Upper HB3 PHE 13 - HN GLU- 16 4.53 20 1.74 2.35 ++++++*+++++++++++++ # peak 848 # SUP 0.81 HN GLU- 16 - HB3 TYR 81 # SUP 1.11 HG3 MET 10 - HN ASP- 41 # SUP 0.46 HN ASP- 41 - HE2 LYS+ 56 # SUP 0.39 HN GLU- 16 - HB3 ASN 100 # SUP 0.02 HN GLU- 16 - HE2 LYS+ 56 # SUP 0.02 HG3 MET 10 - HN GLU- 16 # SUP 0.02 HN GLU- 16 - HD3 PRO 35 # SUP 0.02 Upper HA LEU 42 - HN ASP- 44 4.47 19 1.50 1.92 ++++++++++*++++++ ++ # peak 1139 # SUP 5.04 HN ASP- 44 - HA THR 91 # SUP 0.92 Upper HB THR 4 - HE1 TRP 50 5.20 6 0.68 2.28 + * + + + + # peak 1180 # SUP 0.79 HE1 TRP 50 - HA ASP- 73 # SUP 0.75 HA THR 4 - HE1 TRP 50 # SUP 0.53 HA1 GLY 47 - HE1 TRP 50 # SUP 0.24 HA ILE 38 - HE1 TRP 50 # SUP 0.02 HA ALA 2 - HE1 TRP 50 # SUP 0.02 Upper HA THR 39 - HN MET 54 4.77 8 0.64 1.25 ++ + +* + ++ # peak 1200 # SUP 2.24 HA VAL 52 - HN MET 54 # SUP 2.05 HN MET 54 - HA PHE 62 # SUP 1.36 HN MET 54 - HA ARG+ 90 # SUP 0.02 Upper HE3 TRP 67 - HN GLU- 68 5.02 7 0.86 1.29 * + + + ++ + # peak 1354 # SUP 5.24 Upper HD21 ASN 69 - HA LYS+ 72 5.30 8 0.86 1.44 ++ +++ *++ # peak 1380 # SUP 0.54 HA1 GLY 5 - HD21 ASN 69 # SUP 0.02 HB2 SER 46 - HD21 ASN 69 # SUP 0.02 HA SER 15 - HD21 ASN 69 # SUP 0.02 Upper QB ALA 34 - HB2 PRO 37 4.20 14 1.09 1.54 + + +*+++++ + ++ ++ # peak 1479 # SUP 3.81 Upper HB3 LYS+ 17 - HB3 PHE 28 4.33 8 0.88 1.68 ++ + + + * ++ # peak 1903 # SUP 0.61 HB2 TYR 81 - HG LEU 82 # SUP 4.06 HB3 PHE 28 - HG3 ARG+ 53 # SUP 0.02 HB3 PHE 28 - HG LEU 82 # SUP 0.02 HB3 PHE 28 - HD2 LYS+ 55 # SUP 0.02 HB3 PHE 28 - HG2 ARG+ 53 # SUP 0.02 HB3 PHE 28 - HG LEU 42 # SUP 0.02 HB3 PHE 28 - HB ILE 95 # SUP 0.02 HG LEU 42 - HB2 ASP- 73 # SUP 0.02 HB3 LYS+ 20 - HB3 PHE 28 # SUP 0.02 HB2 ASP- 73 - HG LEU 82 # SUP 0.02 Upper QB ALA 34 - HB2 PRO 37 4.29 13 0.92 1.42 + +*+++++ + ++ ++ # peak 1930 # SUP 3.81 HB2 PRO 37 - QG LYS+ 55 # SUP 0.56 HB2 PRO 37 - HG LEU 63 # SUP 0.39 Upper HN PHE 36 - HB2 PRO 37 4.01 18 1.07 1.39 +++ +++++++* +++++++ # peak 1953 # SUP 4.01 Upper QB PHE 32 - HA ALA 34 4.47 15 1.24 1.59 + + *+++++++ + ++ ++ # peak 1995 # SUP 3.74 QB PHE 32 - HA ARG+ 53 # SUP 0.55 Upper HA PRO 33 - HN THR 39 4.25 12 1.11 2.26 +++ + + +*++++ + # peak 2000 # SUP 2.80 HN TYR 31 - HA PRO 33 # SUP 1.57 Upper HB2 PRO 33 - HN THR 39 4.65 12 1.25 2.75 ++* ++ + +++++ + # peak 2004 # SUP 5.20 HN TYR 31 - HB2 PRO 33 # SUP 0.83 HN GLU- 30 - HB2 PRO 33 # SUP 0.10 Upper QG2 ILE 38 - HA THR 39 4.37 9 0.67 1.23 +++*+ ++ ++ # peak 2067 # SUP 4.63 QG2 ILE 38 - HA ARG+ 90 # SUP 0.41 QG2 ILE 38 - HA PHE 62 # SUP 0.48 Upper QD1 LEU 42 - QD2 LEU 43 3.36 8 0.80 1.34 + ++ ++ + * + # peak 2165 # SUP 5.90 QG2 VAL 40 - QD1 LEU 42 # SUP 1.50 QD1 LEU 42 - QD1 ILE 95 # SUP 1.01 Upper QD1 LEU 43 - HN ASP- 44 3.77 8 0.62 1.34 +* + ++ +++ # peak 2251 # SUP 6.86 QD1 LEU 43 - HN ARG+ 48 # SUP 0.76 QD1 LEU 43 - HN ASP- 87 # SUP 0.02 Upper QB SER 49 - HB3 TRP 50 3.69 19 1.10 1.46 +++++*+++++++++++ ++ # peak 2330 # SUP 3.52 Upper QG1 VAL 65 - HN GLU- 68 4.27 16 1.13 1.67 + + +++*+++ +++++ ++ # peak 2719 # SUP 1.97 Upper QG2 VAL 65 - HN GLU- 68 3.50 16 1.33 1.91 ++++*++ +++ ++++++ # peak 2722 # SUP 2.49 Upper HD22 ASN 69 - QG2 VAL 71 3.36 15 1.14 1.94 + + +++++ + ++++ +*+ # peak 2797 # SUP 0.66 HN LYS+ 17 - QG2 VAL 71 # SUP 0.15 Upper QD2 LEU 82 - HA GLN 83 3.21 13 1.30 2.04 ++++ +++ ++ * +++ # peak 2967 # SUP 5.04 HA LYS+ 11 - QD2 LEU 82 # SUP 1.98 HA VAL 40 - QD2 LEU 82 # SUP 0.02 Upper HG2 PRO 33 - QG PRO 35 3.01 14 1.15 1.91 * + +++++ + + +++++ # peak 3294 # SUP 6.69 QG PRO 12 - QG PRO 35 # SUP 0.02 Upper QD1 LEU 82 - HD2 HIS 99 3.12 11 1.05 1.80 *+ + ++++ + +++ # peak 2112 # SUP 0.71 HE3 TRP 67 - QD1 LEU 82 # SUP 2.39 HN LYS+ 17 - QD1 LEU 82 # SUP 0.75 QE PHE 32 - QD1 LEU 82 # SUP 0.02 QG1 VAL 40 - HA LYS+ 55 # SUP 1.80 QG1 VAL 40 - HA THR 64 # SUP 0.11 QG1 VAL 40 - HA ILE 85 # SUP 0.02 Upper QD1 LEU 82 - HD2 HIS 99 3.37 7 0.60 1.45 + + +++ * + # peak 259 # SUP 0.71 HE3 TRP 67 - QD1 LEU 82 # SUP 2.39 HN LYS+ 17 - QD1 LEU 82 # SUP 0.75 QE PHE 32 - QD1 LEU 82 # SUP 0.02 QD PHE 9 - QG ARG+ 90 # SUP 1.49 QD PHE 9 - HG12 ILE 85 # SUP 0.98 QD PHE 9 - QB LEU 26 # SUP 0.24 QD PHE 9 - QG LYS+ 80 # SUP 0.02 QD PHE 9 - HB VAL 94 # SUP 0.02 QD PHE 9 - HB ILE 96 # SUP 0.02 Upper HN LEU 76 - HG LEU 82 4.69 18 1.38 1.99 ++++++++ +*+++++ +++ # peak 842 # SUP 0.64 HG LEU 42 - HN LEU 76 # SUP 1.27 HB3 LYS+ 20 - HN LEU 76 # SUP 0.02 HB3 LYS+ 17 - HN LEU 76 # SUP 0.02 HN LEU 76 - HB ILE 95 # SUP 0.02 HN GLU- 16 - HA TYR 81 # SUP 2.69 HN GLU- 16 - HA TRP 50 # SUP 0.02 HN ASP- 41 - HA TRP 50 # SUP 0.02 Upper HN LEU 76 - HG LEU 82 3.72 9 0.69 1.84 + ++* +++++ # peak 2700 # SUP 0.64 HG LEU 42 - HN LEU 76 # SUP 1.27 HB3 LYS+ 20 - HN LEU 76 # SUP 0.02 HB3 LYS+ 17 - HN LEU 76 # SUP 0.02 HN LEU 76 - HB ILE 95 # SUP 0.02 HN ARG+ 53 - QG2 THR 64 # SUP 0.99 Upper HN LEU 42 - HE3 TRP 67 3.62 15 1.24 2.35 ++++++ ++++ *+ ++ + # peak 2477 # SUP 2.60 HN LEU 42 - HE ARG+ 90 # SUP 0.26 HN LEU 42 - HN PHE 70 # SUP 0.02 QD PHE 36 - QE MET 54 # SUP 1.53 QE MET 54 - HE21 GLN 83 # SUP 0.02 Upper HA PRO 33 - HN MET 54 3.65 18 1.49 2.43 ++++++++ ++++*+++++ # peak 2066 # SUP 2.26 HA ILE 38 - HN MET 54 # SUP 0.43 HA ASN 29 - HN MET 54 # SUP 0.35 QG2 ILE 38 - HA THR 64 # SUP 1.31 QG2 ILE 38 - HA LYS+ 55 # SUP 1.59 QG2 ILE 38 - HA ILE 85 # SUP 0.02 Upper HB2 GLU- 16 - QD1 LEU 26 3.55 12 1.09 1.76 + + *+++ +++ +++ # peak 1340 # SUP 2.38 HB2 GLU- 16 - QD2 LEU 26 # SUP 0.68 HN LYS+ 17 - HE1 TRP 67 # SUP 2.23 Upper HA GLU- 16 - QD1 LEU 26 4.19 12 1.01 2.04 + *+++ + +++ + ++ # peak 51 # SUP 2.38 HA GLU- 16 - QD2 LEU 26 # SUP 1.57 HD1 TRP 50 - HA VAL 71 # SUP 1.78 HB2 ASP- 41 - HD1 TRP 50 # SUP 0.02 HG2 MET 10 - HD1 TRP 50 # SUP 0.02 HG2 MET 1 - HD1 TRP 50 # SUP 0.02 HD1 TRP 50 - QG MET 101 # SUP 0.02 Upper HB3 GLU- 16 - QD1 LEU 26 3.56 11 0.91 1.93 + + + + ++++ ++* # peak 1347 # SUP 2.38 HB3 GLU- 16 - QD2 LEU 26 # SUP 1.53 HB2 GLU- 23 - HE1 TRP 67 # SUP 1.27 HB ILE 14 - HE1 TRP 67 # SUP 0.02 HG12 ILE 38 - HE1 TRP 67 # SUP 0.02 HB2 ARG+ 48 - HE1 TRP 67 # SUP 0.02 HB3 PRO 25 - HE1 TRP 67 # SUP 0.02 HB VAL 61 - HE1 TRP 67 # SUP 0.02 HB2 LYS+ 55 - HE1 TRP 67 # SUP 0.02 Upper HB3 GLU- 16 - QD1 LEU 26 3.52 6 0.55 1.50 + + + * ++ # peak 2968 # SUP 2.38 HB3 GLU- 16 - QD2 LEU 26 # SUP 1.53 QE PHE 9 - HB2 LEU 82 # SUP 2.38 Upper HN GLN 8 - HN TYR 86 2.55 10 0.75 1.42 ++ * + + ++++ + # peak 2243 # SUP 4.39 HN GLN 8 - HN ILE 85 # SUP 2.25 HN GLN 8 - HN VAL 52 # SUP 0.39 QD1 LEU 43 - QG2 VAL 52 # SUP 1.30 QD1 LEU 43 - HB3 ARG+ 48 # SUP 0.34 QD1 LEU 43 - QD2 LEU 82 # SUP 0.52 QD1 LEU 43 - QG2 ILE 85 # SUP 0.02 Upper HN LYS+ 55 - HG LEU 63 3.45 11 0.74 1.29 ++++ +++ + *++ # peak 2437 # SUP 4.18 HN LYS+ 55 - HB3 LEU 63 # SUP 3.47 HN LYS+ 55 - QG LYS+ 60 # SUP 0.65 QB ALA 34 - HN LYS+ 55 # SUP 0.22 QG2 THR 51 - HN LYS+ 55 # SUP 0.02 HB VAL 40 - QE MET 54 # SUP 1.01 QE MET 54 - QG GLU- 59 # SUP 0.33 QG GLU- 16 - QE MET 54 # SUP 0.02 Upper HN LYS+ 55 - HA THR 64 4.49 8 0.65 1.45 + +++* +++ # peak 690 # SUP 2.89 HN GLU- 6 - QG2 VAL 52 # SUP 3.15 HN GLU- 6 - QG2 ILE 14 # SUP 0.68 HN GLU- 6 - QG2 ILE 85 # SUP 0.14 HN GLU- 6 - QD2 LEU 82 # SUP 0.12 HN GLU- 6 - HG3 LYS+ 56 # SUP 0.02 Upper QD1 LEU 22 - HA THR 64 4.22 9 0.85 1.35 + + * +++ + ++ # peak 962 # SUP 2.56 QD1 LEU 22 - HA ILE 85 # SUP 0.52 QD1 LEU 22 - HA LYS+ 55 # SUP 0.02 HN GLU- 23 - QD1 LEU 82 # SUP 2.59 HN GLU- 23 - HB3 LEU 82 # SUP 0.71 HN GLU- 23 - HB3 LYS+ 56 # SUP 0.02 Upper HN PHE 9 - HN PHE 84 3.12 7 0.68 1.60 + ++ ++ *+ # peak 2612 # SUP 5.12 HN PHE 9 - HN ARG+ 53 # SUP 0.64 HG12 ILE 24 - QG2 VAL 61 # SUP 3.45 QG2 VAL 61 - QG2 VAL 65 # SUP 0.13 QG2 ILE 38 - QG2 VAL 61 # SUP 0.02 HG13 ILE 14 - QG2 VAL 61 # SUP 0.02 QG2 VAL 61 - HG3 ARG+ 88 # SUP 0.02 Upper HB3 PRO 33 - HN ILE 38 3.86 20 1.90 3.51 +++++++++++*++++++++ # peak 2394 # SUP 2.74 HA1 GLY 5 - QG2 VAL 52 # SUP 2.48 QG2 VAL 52 - HA LYS+ 72 # SUP 1.03 HA SER 15 - QG2 VAL 52 # SUP 0.58 Upper HB3 PRO 33 - HN ILE 38 3.16 13 1.03 1.65 ++ ++ ++++ +*++ + # peak 2557 # SUP 2.74 HE3 LYS+ 56 - QG2 THR 64 # SUP 1.67 QD1 ILE 38 - HE3 LYS+ 56 # SUP 1.13 QG1 VAL 40 - HE3 LYS+ 56 # SUP 0.84 QG2 ILE 14 - HE3 LYS+ 56 # SUP 0.34 HE3 LYS+ 56 - QG2 ILE 85 # SUP 0.02 Angle PHI VAL 7 213.00 271.00 10 5.84 18.82 + + ++++ + * ++ Angle PSI VAL 7 141.00 161.00 12 11.67 54.86 + ++++*++ + + ++ Angle PHI GLN 8 224.00 260.00 12 10.51 43.56 ++ + +++++ + + + * Angle PSI GLN 8 146.00 172.00 12 7.06 17.79 ++*+ ++ +++ + ++ Angle PHI PHE 9 190.00 234.00 8 6.76 32.07 +* + + ++ + + Angle PSI PHE 9 150.00 170.00 9 7.73 23.57 ++ * + + + + ++ Angle PHI MET 10 222.00 256.00 6 4.46 25.71 + + ++ + * Angle PSI MET 10 134.00 158.00 11 9.34 28.42 +++ ++++ * + + + Angle PHI LYS+ 11 206.00 236.00 11 7.63 20.00 ++* + + + ++++ + Angle PSI LYS+ 11 131.00 159.00 6 5.70 25.25 + + + *++ Angle PHI PHE 13 227.00 293.00 16 11.67 30.07 +*++++++++ + + +++ + Angle PSI PHE 13 119.00 139.00 8 3.46 10.96 + +*+ ++ ++ Angle PSI ILE 14 90.00 142.00 6 2.87 17.04 ++ ++ * + Angle PHI SER 15 286.00 306.00 11 4.44 11.50 + + + ++*+ + ++ + Angle PHI GLU- 16 277.00 299.00 6 3.77 11.32 ++ + + * + Angle PHI LYS+ 17 250.00 290.00 15 10.77 22.30 * ++++++++++ ++++ Angle PSI LYS+ 17 320.00 0.00 7 3.43 13.53 * ++ + +++ Angle PHI SER 19 286.00 306.00 10 5.24 16.88 + + ++ +++ +*+ Angle PHI SER 21 200.00 268.00 13 7.93 20.62 + ++ ++++ +*+ +++ Angle PHI LEU 22 221.00 273.00 9 4.80 15.76 + + ++ + * +++ Angle PSI LEU 22 114.00 144.00 8 5.75 21.07 + +*++ +++ Angle PHI ILE 24 247.00 301.00 14 8.50 18.35 ++ ++*+ ++++++ ++ Angle PSI ILE 24 110.00 132.00 19 14.66 26.29 +++++*+++++++++++++ Angle PSI PRO 25 134.00 158.00 11 5.34 19.47 + +++ ++ ++++ * Angle PHI LEU 26 286.00 310.00 9 4.32 11.58 ++ +* + + + + + Angle PSI LEU 26 313.00 337.00 7 4.30 10.12 + ++ + + + * Angle PSI GLY 27 324.00 350.00 6 2.40 9.22 * + ++ + + Angle PSI PHE 28 309.00 339.00 12 8.24 29.14 +++ ++* +++ ++ + Angle PHI ASN 29 284.00 304.00 9 5.32 14.91 ++ * +++ ++ + Angle PSI ASN 29 314.00 336.00 9 7.35 21.98 + + +++ *++ + Angle PSI GLU- 30 314.00 348.00 6 3.38 10.90 ++ * + ++ Angle PHI TYR 31 253.00 291.00 14 7.82 18.28 +++ +++*+++++ ++ Angle PSI TYR 31 333.00 9.00 14 10.33 22.18 ++ ++ ++*+ ++ ++++ Angle PSI PRO 33 137.00 161.00 20 70.80 114.86 +++++++++++++++++*++ Angle PHI ALA 34 211.00 263.00 15 58.22 97.23 + + *++++++ + +++++ Angle PSI ALA 34 132.00 160.00 20 119.87 147.47 +++++++++*++++++++++ Angle PSI PRO 35 131.00 155.00 20 103.21 120.63 *+++++++++++++++++++ Angle PHI PHE 36 224.00 290.00 19 59.65 109.24 +++++++*+++++++++ ++ Angle PSI PHE 36 109.00 147.00 20 72.41 151.79 ++++++++++++++*+++++ Angle PSI PRO 37 137.00 159.00 9 17.04 108.01 +* + + ++ + ++ Angle PHI THR 39 206.00 248.00 17 22.38 38.49 +++++*++++ +++++ ++ Angle PSI THR 39 152.00 178.00 9 8.56 42.98 * ++++ + +++ Angle PHI VAL 40 212.00 240.00 14 8.57 32.34 * + + +++++ ++ ++ ++ Angle PSI VAL 40 140.00 162.00 11 6.43 20.11 ++ ++*++++ ++ Angle PHI ASP- 41 218.00 250.00 16 11.34 25.01 + ++++ +++*+++ ++++ Angle PHI LEU 42 218.00 250.00 11 6.67 18.82 +++ ++ + ++*++ Angle PHI LEU 43 234.00 258.00 10 7.14 20.54 + +++++ ++* + Angle PSI LEU 43 139.00 169.00 11 12.51 42.10 ++ ++ ++++ +* + Angle PHI ASP- 44 208.00 246.00 16 13.18 27.54 +++++++ + ++*++ +++ Angle PSI ASP- 44 137.00 167.00 13 9.24 24.28 + + +++ + +++ *+++ Angle PHI ARG+ 48 271.00 299.00 6 4.12 17.36 + *+ ++ + Angle PSI SER 49 137.00 161.00 8 4.01 12.37 + +++ * + + + Angle PSI TRP 50 116.00 142.00 7 4.79 24.91 + + ++ * ++ Angle PHI THR 51 246.00 274.00 13 7.23 15.43 + * ++ + ++ + +++++ Angle PHI VAL 52 235.00 257.00 8 6.09 17.69 + ++ + + * + + Angle PSI VAL 52 119.00 155.00 6 3.18 13.31 +++ ++* Angle PSI ARG+ 53 121.00 153.00 9 3.88 9.21 * +++ +++ + + Angle PHI MET 54 223.00 249.00 15 16.78 32.65 +++++ +++ +++*+++ Angle PHI LYS+ 55 208.00 238.00 12 7.11 16.16 +++ +++ *+++ ++ Angle PHI LYS+ 56 241.00 267.00 8 4.80 21.66 + + + ++* + + Angle PSI LYS+ 56 108.00 128.00 8 5.32 19.71 + + +++ + +* Angle PSI ARG+ 57 99.00 131.00 8 5.22 15.91 +*+ + + + ++ Angle PHI GLU- 59 249.00 269.00 6 3.42 16.17 * + + + ++ Angle PSI VAL 61 122.00 148.00 13 7.72 25.19 +++ ++ ++++++ +* Angle PHI PHE 62 219.00 251.00 9 5.54 20.48 + +++ ++ *++ Angle PHI LEU 63 258.00 278.00 10 7.14 24.66 + ++ +++ + + * + Angle PSI LEU 63 104.00 142.00 6 3.29 8.50 + * ++ + + Angle PHI VAL 65 277.00 303.00 17 12.36 24.87 ++++++ +++++ ++*+++ Angle PSI VAL 65 123.00 143.00 9 6.41 22.61 + + +++ * + ++ Angle PHI TRP 67 288.00 308.00 9 6.56 20.06 ++ + + +* ++ + Angle PSI GLU- 68 313.00 333.00 10 8.30 23.18 + + ++ ++++ * + Angle PHI ASN 69 283.00 303.00 6 4.72 14.37 + +* + + + Angle PSI ASN 69 310.00 330.00 11 11.27 41.17 *+++++ + ++ + + Angle PSI PHE 70 307.50 327.50 6 3.22 12.97 + *+ + ++ Angle PHI LYS+ 72 290.00 310.00 7 3.40 9.99 + + ++ + *+ Angle PSI LYS+ 72 312.00 332.00 8 2.93 7.97 ++ + + + *+ + Angle PHI ASP- 73 283.00 303.00 12 8.15 15.75 + ++ ++ * ++ + +++ Angle PSI ASP- 73 321.00 341.00 12 5.86 13.09 + + + ++++ * +++ + Angle PSI ASN 74 340.00 14.00 8 5.25 19.52 + + + + + ++* Angle PHI LEU 76 50.00 70.00 16 8.64 21.66 +++++ + +++*+++ +++ Angle PSI LEU 76 7.00 49.00 10 5.84 14.93 + + + +* +++ ++ Angle PHI GLU- 77 217.00 253.00 11 5.85 15.67 + + + ++*+ +++ + Angle PHI ASP- 78 273.00 307.00 9 6.60 20.90 + + + + +* ++ + Angle PSI LYS+ 80 135.00 163.00 18 11.93 27.80 +++++++++ ++++++ ++* Angle PSI TYR 81 130.00 158.00 12 7.66 16.75 ++*+++ + + + ++ + Angle PHI LEU 82 225.00 249.00 8 4.48 20.10 + + + + ++* + Angle PSI LEU 82 123.00 155.00 6 2.92 10.37 * ++ +++ Angle PSI GLN 83 125.00 145.00 8 5.54 17.62 +*+ + +++ + Angle PHI PHE 84 232.00 258.00 9 5.96 24.89 ++ ++++* ++ Angle PSI PHE 84 118.00 138.00 10 8.04 36.66 +++ ++ ++++* Angle PHI ILE 85 234.00 262.00 7 4.70 28.80 + + + + + +* Angle PSI ILE 85 116.00 136.00 12 8.55 38.64 ++ *++ +++ ++ ++ Angle PHI TYR 86 233.00 253.00 13 9.49 33.86 ++++ ++++*+ +++ Angle PHI ARG+ 90 224.00 264.00 9 4.57 12.83 + + + ++ ++ + * Angle PSI ARG+ 90 109.00 147.00 20 21.08 48.85 +++++*++++++++++++++ Angle PHI THR 91 224.00 256.00 17 16.20 34.28 + +++* +++++ +++++++ Angle PSI THR 91 118.00 140.00 8 5.65 18.53 + + ++++ +* Angle PSI PHE 92 123.00 155.00 8 6.10 23.67 + +++ + ++* Angle PSI TYR 93 114.00 136.00 7 3.09 12.15 +* + + + + + Angle PHI ILE 95 214.00 254.00 6 3.65 21.74 + + *+ + + Angle PSI ILE 95 117.00 143.00 11 6.95 24.09 + +++++ *+ + ++ 40 violated distance constraints. 101 violated angle constraints. RMSDs for residues 5..95: Average backbone RMSD to mean : 1.85 +/- 0.41 A (1.21..2.69 A) Average heavy atom RMSD to mean : 2.47 +/- 0.39 A (1.88..3.29 A)