Structural statistics: str target upper limits van der Waals torsion angles function # sum max # sum max # sum max 1 459.14 37 268.6 2.56 294 158.9 0.87 68 1562.4 93.22 2 463.73 30 259.6 3.96 295 169.8 1.32 70 1597.4 63.91 3 482.14 37 266.3 2.55 348 183.4 1.22 75 1745.8 96.11 4 490.32 32 268.4 3.66 319 167.9 0.88 79 1757.1 83.79 5 491.95 39 291.3 2.93 314 161.6 0.90 67 1596.8140.26 6 494.60 35 276.3 3.34 357 193.3 0.97 66 1630.9 94.01 7 495.46 30 291.3 3.51 355 188.9 1.14 73 1626.5 59.04 8 499.11 29 267.5 3.68 332 181.8 1.00 73 1720.1 76.19 9 506.16 31 294.0 2.73 322 182.3 1.06 82 1779.8 66.76 10 506.32 45 274.6 2.83 321 178.0 1.07 78 1751.7 83.78 11 506.44 42 295.5 3.30 353 185.3 1.14 71 1358.1 64.04 12 514.38 37 279.9 3.08 305 167.5 1.17 77 1830.9 69.83 13 513.03 40 282.3 4.23 305 160.6 0.82 81 1863.4 92.93 14 513.59 35 282.6 3.44 335 189.7 0.98 77 1758.1106.37 15 514.54 34 282.6 4.04 322 170.6 1.10 72 1676.0121.18 16 515.46 37 284.3 3.12 326 177.7 0.99 68 1549.1 91.43 17 516.87 35 284.6 3.02 358 191.7 1.16 70 1592.7 63.14 18 517.38 32 260.2 3.83 335 178.6 1.24 71 1799.1 86.11 19 518.02 41 278.6 3.21 354 189.9 1.00 69 1679.5101.98 20 518.33 40 290.2 4.16 328 177.8 1.10 69 1619.3 69.96 Ave 501.85 36 278.9 3.36 329 177.8 1.06 73 1674.7 86.20 +/- 17.06 4 10.7 0.50 20 10.5 0.13 5 115.8 20.45 Min 459.14 29 259.6 2.55 294 158.9 0.82 66 1358.1 59.04 Max 518.33 45 295.5 4.23 358 193.3 1.32 82 1863.4140.26 Constraints violated in 6 or more structures: Cutoffs: Upper distance limits : 1.50 A Lower distance limits : 0.20 A Angle constraints : 5.00 deg # mean max. 1 5 10 15 20 Upper HB3 LYS+ 20 - HA SER 88 3.93 7 1.24 2.31 ++ + + * + + # peak 818 # SUP 1.23 HB2 LYS+ 20 - HA SER 88 # SUP 0.87 HG13 ILE 19 - HA SER 88 # SUP 0.65 HA SER 88 - QB ALA 91 # SUP 0.50 HG3 LYS+ 20 - HA SER 88 # SUP 1.06 HG LEU 74 - HA SER 88 # SUP 0.55 HD3 LYS+ 20 - HA SER 88 # SUP 0.68 Upper HA ARG+ 53 - HB3 GLU- 54 3.03 11 1.37 2.35 *+ +++++ + ++ + # peak 938 # SUP 1.71 HA ARG+ 53 - HD3 LYS+ 63 # SUP 0.49 HA ARG+ 53 - HB3 GLN 102 # SUP 0.10 HA ARG+ 53 - HB3 CYS 123 # SUP 0.02 HG2 GLU- 18 - HA ARG+ 53 # SUP 0.02 HA ARG+ 53 - HB3 MET 118 # SUP 0.02 Upper HA GLU- 56 - HG3 GLU- 64 2.99 14 1.39 1.78 ++++++++ ++++ * + # peak 991 # SUP 0.86 HA SER 85 - HB2 PRO 86 # SUP 3.20 HG3 GLU- 64 - HA LYS+ 108 # SUP 0.43 HA SER 85 - HB3 PRO 86 # SUP 3.79 HG3 GLU- 64 - HA GLU- 75 # SUP 0.15 HA GLU- 56 - HA1 GLY 58 # SUP 1.91 HA ARG+ 84 - HB2 PRO 86 # SUP 0.48 HA1 GLY 58 - HA ARG+ 84 # SUP 0.66 HA GLU- 56 - HB3 PRO 86 # SUP 0.73 HG3 GLU- 64 - HA SER 85 # SUP 0.02 Upper HA ASN 89 - HA ALA 91 3.61 19 2.40 3.16 +++++++++++++++ +++* # peak 1245 # SUP 1.74 HA LYS+ 63 - HA ALA 91 # SUP 0.02 Upper HA ASN 89 - HA ALA 91 4.11 12 1.48 2.01 +++ ++ +++ +++* # peak 1246 # SUP 1.74 HA ALA 91 - HA ALA 93 # SUP 0.45 Upper QD1 ILE 101 - HA GLN 102 3.36 6 1.09 2.08 + +* ++ + # peak 1262 # SUP 1.61 HA HIS+ 98 - QD1 ILE 101 # SUP 0.69 HA ALA 33 - QD1 ILE 101 # SUP 0.17 Upper HA THR 95 - HD3 PRO 116 2.91 7 1.24 2.47 + + + +++* # peak 1287 # SUP 0.52 HA ILE 19 - HD3 PRO 116 # SUP 0.47 HA ASN 89 - HD3 PRO 112 # SUP 0.23 HD3 PRO 86 - HA ASN 89 # SUP 0.52 HA THR 95 - HD3 PRO 112 # SUP 0.02 Upper HB3 LEU 67 - HG LEU 74 3.42 6 1.20 2.58 *++ ++ + # peak 1365 # SUP 4.53 HB3 LEU 67 - HB ILE 68 # SUP 2.37 Upper HB2 LEU 17 - HB3 GLU- 50 2.95 7 1.08 2.63 + + + + +* + # peak 1396 # SUP 1.51 HB2 LEU 17 - HB3 GLU- 18 # SUP 2.10 HB2 LEU 17 - HB ILE 48 # SUP 1.58 HB2 LEU 17 - HB VAL 94 # SUP 0.24 Upper HG3 GLU- 50 - HA ASN 89 3.46 6 1.08 3.02 + *+++ + # peak 1833 # SUP 2.10 HG3 GLU- 50 - HA PRO 52 # SUP 0.21 HG3 GLU- 50 - HA PRO 59 # SUP 0.26 Upper HB VAL 87 - HA ASN 89 3.42 6 1.02 2.00 ++ * + ++ # peak 2031 # SUP 1.29 HB VAL 87 - HB2 SER 88 # SUP 1.79 HA LYS+ 44 - HB VAL 87 # SUP 0.72 Upper HA1 GLY 30 - HG3 PRO 31 3.45 8 1.25 2.10 + * ++++ + + # peak 2696 # SUP 3.67 HG3 PRO 31 - HB3 SER 69 # SUP 0.56 HG3 PRO 31 - HA ASN 89 # SUP 0.57 HG3 PRO 31 - HA ILE 48 # SUP 0.45 Upper HA LYS+ 60 - HB THR 61 2.52 13 1.54 2.45 ++ + + +++ + +* +++ # peak 3343 # SUP 1.55 HA2 GLY 26 - HB THR 61 # SUP 0.18 HB THR 61 - HA ASN 89 # SUP 0.27 HB THR 61 - HA VAL 73 # SUP 0.17 HA1 GLY 26 - HB THR 61 # SUP 0.02 Upper HG2 PRO 31 - HA ILE 68 4.26 6 1.24 3.42 ++ +++ * # peak 3432 # SUP 1.27 HG2 PRO 31 - HA PHE 34 # SUP 0.51 Upper QD PHE 21 - HB3 ARG+ 22 3.50 6 1.14 2.93 ++ + ++ * # peak 302 # SUP 2.50 QD PHE 21 - HB3 MET 126 # SUP 0.70 QD PHE 21 - HG3 ARG+ 84 # SUP 0.39 QD PHE 21 - HB3 MET 97 # SUP 0.37 Upper HN LYS+ 66 - HG12 ILE 101 3.86 7 0.98 2.80 + + + + + + * # peak 25 # SUP 1.95 HN LYS+ 66 - HG3 ARG+ 84 # SUP 0.87 HN LYS+ 66 - HB2 LEU 67 # SUP 1.52 HN LYS+ 66 - HB ILE 100 # SUP 1.35 HN LYS+ 66 - HB3 MET 97 # SUP 0.52 Upper HN TRP 51 - HD2 PRO 52 3.24 6 1.13 1.71 + + + * ++ # peak 170 # SUP 2.78 HN TRP 51 - HA ASN 89 # SUP 2.19 HA ILE 48 - HN TRP 51 # SUP 1.43 HN TRP 51 - HA LYS+ 81 # SUP 0.37 Upper HA ASN 89 - HN ALA 93 3.48 6 1.28 2.55 + ++ + + * # peak 291 # SUP 1.83 HA LEU 90 - HN ALA 93 # SUP 1.27 HA VAL 73 - HN ALA 93 # SUP 0.44 Upper HN VAL 99 - HG2 PRO 104 3.55 6 1.06 2.05 +++ * + + # peak 536 # SUP 0.64 HN VAL 99 - HG2 GLN 102 # SUP 0.84 HN VAL 99 - HG3 GLN 102 # SUP 0.58 HA1 GLY 58 - HN VAL 99 # SUP 0.63 HB3 GLU- 75 - HN VAL 99 # SUP 0.24 HB2 ASP- 28 - HN VAL 99 # SUP 0.22 Upper HA ASN 76 - HN VAL 80 3.50 6 1.15 2.46 ++ ++ *+ # peak 660 # SUP 0.59 HA VAL 73 - HN VAL 80 # SUP 0.95 HA LYS+ 55 - HN VAL 80 # SUP 0.43 HN VAL 80 - HA CYS 123 # SUP 0.02 HA SER 77 - HN VAL 80 # SUP 0.02 Upper HG2 PRO 59 - HN VAL 65 3.37 8 1.39 2.55 + ++*++ + + # peak 742 # SUP 1.43 QG2 ILE 48 - HN VAL 65 # SUP 0.58 HN VAL 65 - HG LEU 67 # SUP 0.42 HG12 ILE 19 - HN VAL 65 # SUP 0.33 HN VAL 65 - QG2 ILE 101 # SUP 0.14 QD1 ILE 19 - HN VAL 65 # SUP 0.09 Upper HN SER 27 - HA ASN 89 4.19 15 2.22 4.04 +++++ + ++ ++* ++++ # peak 816 # SUP 2.26 HN SER 27 - HA ILE 48 # SUP 1.68 HN SER 27 - HB3 SER 69 # SUP 0.25 HN SER 27 - HA1 GLY 30 # SUP 0.19 Upper HA ASN 89 - HN GLY 92 3.16 11 1.61 3.08 + + + + * ++++++ # peak 1017 # SUP 2.49 HA VAL 73 - HN GLY 92 # SUP 0.89 HA GLU- 18 - HN GLY 92 # SUP 0.41 HA GLU- 64 - HN GLY 92 # SUP 0.39 HA LYS+ 44 - HN GLY 92 # SUP 0.39 Upper HN THR 46 - HA ASN 89 4.39 12 1.71 2.73 ++ + *++ + +++ ++ # peak 1171 # SUP 2.11 HN THR 46 - HA ILE 48 # SUP 1.34 HN THR 46 - HD2 PRO 52 # SUP 0.48 Upper HG12 ILE 19 - HA ASN 89 3.66 8 1.10 2.50 + ++ + ++ *+ # peak 3477 # SUP 2.97 HG12 ILE 19 - HB THR 95 # SUP 1.62 HG12 ILE 19 - HA LYS+ 44 # SUP 1.23 HG12 ILE 19 - HB3 SER 77 # SUP 0.16 HG12 ILE 19 - HA1 GLY 92 # SUP 0.16 HG3 ARG+ 84 - HA ASN 89 # SUP 2.66 HA LEU 23 - HG3 ARG+ 84 # SUP 0.49 HD3 ARG+ 53 - HG3 ARG+ 84 # SUP 0.10 HE3 LYS+ 63 - HG3 ARG+ 84 # SUP 0.08 Upper HB3 LYS+ 20 - HD3 PRO 31 2.39 6 0.97 2.21 + + + + + * # peak 2391 # SUP 3.74 HB2 LYS+ 20 - HD3 PRO 31 # SUP 2.61 HB3 LYS+ 20 - HA1 GLY 30 # SUP 1.95 HB2 LYS+ 20 - HA ASN 89 # SUP 2.84 HB3 LYS+ 20 - HA ASN 89 # SUP 2.16 HB2 LYS+ 20 - HA1 GLY 30 # SUP 1.50 HG LEU 74 - HB3 MET 126 # SUP 1.45 HG LEU 90 - HB3 MET 126 # SUP 0.38 Upper HN ILE 48 - HB3 LEU 67 3.43 9 1.53 2.96 + ++* ++ + ++ # peak 28 # SUP 2.23 HN ILE 48 - HG LEU 74 # SUP 1.19 HZ2 TRP 51 - HG LEU 90 # SUP 0.41 HN LYS+ 66 - HG13 ILE 101 # SUP 1.27 HN LYS+ 66 - QD1 ILE 101 # SUP 1.63 Upper HG13 ILE 19 - HA ASN 89 2.97 7 1.04 3.06 + *+ ++ + + # peak 2502 # SUP 3.48 HG13 ILE 19 - HA LYS+ 44 # SUP 0.95 HG13 ILE 19 - HB2 SER 88 # SUP 0.62 HG12 ILE 19 - HD3 LYS+ 55 # SUP 0.75 QD1 ILE 19 - HD3 LYS+ 55 # SUP 0.75 HD3 LYS+ 55 - HG LEU 67 # SUP 0.08 HD3 LYS+ 55 - QG2 VAL 94 # SUP 0.02 HD3 LYS+ 55 - QG1 VAL 62 # SUP 0.02 Upper HA2 GLY 26 - HA ASN 89 2.91 6 0.97 2.47 * ++ + ++ # peak 1936 # SUP 1.46 HA1 GLY 26 - HA ASN 89 # SUP 2.10 HA1 GLY 26 - HA ILE 48 # SUP 1.11 HA2 GLY 26 - HA ILE 48 # SUP 0.86 QD1 LEU 23 - HG2 GLN 102 # SUP 0.92 QD1 LEU 23 - HG2 MET 126 # SUP 0.47 QD1 LEU 23 - HG3 MET 126 # SUP 0.82 Upper HG LEU 17 - HA LEU 90 2.79 6 1.07 2.53 + + + * + + # peak 2865 # SUP 1.25 HB3 LEU 17 - HA LEU 90 # SUP 1.52 HD3 LYS+ 32 - HA LEU 90 # SUP 0.34 HA LEU 90 - HG3 LYS+ 110 # SUP 0.41 QD2 LEU 23 - HN ILE 29 # SUP 2.71 Upper HB ILE 68 - HG LEU 74 3.38 9 1.35 3.83 + +++ ++ *++ # peak 163 # SUP 2.16 HB ILE 68 - QG2 VAL 122 # SUP 0.55 HB ILE 68 - QG1 VAL 122 # SUP 0.56 HB ILE 68 - QD1 LEU 90 # SUP 0.13 HB ILE 68 - QG2 ILE 100 # SUP 0.12 HN THR 46 - QB ALA 103 # SUP 1.84 HN LYS+ 55 - QB ALA 103 # SUP 1.02 Upper HG LEU 74 - HN VAL 122 2.91 8 1.16 2.40 + + +++ * ++ # peak 2630 # SUP 1.90 HB2 LEU 74 - HN VAL 122 # SUP 1.85 HB2 LEU 74 - HN CYS 121 # SUP 1.94 HG LEU 74 - HN CYS 121 # SUP 1.92 HB ILE 68 - HN VAL 122 # SUP 0.61 HB ILE 68 - HN CYS 121 # SUP 0.55 HG LEU 17 - QG2 ILE 29 # SUP 1.52 HG LEU 17 - HG12 ILE 29 # SUP 1.58 HG LEU 17 - HG LEU 74 # SUP 1.28 Upper HG LEU 74 - HN VAL 122 3.67 7 1.10 2.74 + +++ ++* # peak 1113 # SUP 1.90 HB2 LEU 74 - HN VAL 122 # SUP 1.85 HB2 LEU 74 - HN CYS 121 # SUP 1.94 HG LEU 74 - HN CYS 121 # SUP 1.92 HB ILE 68 - HN VAL 122 # SUP 0.61 HB ILE 68 - HN CYS 121 # SUP 0.55 QD1 ILE 68 - HB2 HIS+ 98 # SUP 0.88 HA1 GLY 58 - QD1 ILE 68 # SUP 0.42 Upper HB3 LYS+ 20 - HN LYS+ 117 2.72 9 1.24 3.51 + ++* + ++ ++ # peak 1488 # SUP 2.14 HB2 LYS+ 20 - HN LYS+ 117 # SUP 1.45 QG2 THR 39 - HN LYS+ 117 # SUP 1.03 HD3 LYS+ 20 - HN LYS+ 117 # SUP 1.43 HG13 ILE 19 - HN LYS+ 117 # SUP 0.76 HG3 LYS+ 20 - HN LYS+ 117 # SUP 1.40 HG LEU 74 - HN LYS+ 117 # SUP 0.69 HB3 LEU 90 - HB2 HIS+ 98 # SUP 1.18 HB ILE 19 - HB2 HIS+ 98 # SUP 1.37 HA1 GLY 58 - HB3 LEU 90 # SUP 0.40 HB ILE 19 - HA1 GLY 58 # SUP 1.09 HB ILE 19 - HG3 MET 97 # SUP 1.27 HB ILE 19 - HE3 LYS+ 60 # SUP 0.37 HB3 LEU 90 - HG3 MET 97 # SUP 0.16 Upper HN LYS+ 20 - HA MET 97 3.20 7 1.28 2.85 + + + ++ + * # peak 1748 # SUP 1.26 HN LYS+ 20 - HA ASN 89 # SUP 1.71 HN LYS+ 20 - HA GLU- 107 # SUP 0.09 HG LEU 74 - HB ILE 100 # SUP 2.60 Upper HN LEU 43 - HB ILE 68 3.04 8 1.25 2.50 ++ +++ + * + # peak 1933 # SUP 3.03 HB ILE 68 - HN LYS+ 72 # SUP 0.56 HG LEU 74 - HG3 MET 126 # SUP 1.26 HG LEU 74 - HG2 MET 126 # SUP 1.81 HG LEU 74 - HG2 GLN 102 # SUP 0.83 Upper QD PHE 21 - HB3 LEU 43 3.15 6 1.13 4.23 + + + + *+ # peak 590 # SUP 0.89 QD PHE 21 - HB2 LEU 43 # SUP 0.85 HB2 LEU 43 - HD21 ASN 119 # SUP 0.75 HB3 LEU 43 - HD21 ASN 119 # SUP 0.34 HZ PHE 21 - HB3 LEU 43 # SUP 0.90 HZ PHE 21 - HB2 LEU 43 # SUP 0.96 HN LEU 43 - HD3 LYS+ 60 # SUP 1.31 HN LEU 43 - HB3 LEU 90 # SUP 1.25 HB3 LYS+ 32 - HN LEU 43 # SUP 0.24 HN LEU 43 - HG3 LYS+ 60 # SUP 0.26 HN LEU 43 - HG3 LYS+ 110 # SUP 0.43 HN LEU 43 - HG2 LYS+ 110 # SUP 0.44 Angle PHI LEU 17 229.00 273.00 11 7.79 22.97 + ++ + ++ ++* + + Angle PSI LEU 17 116.00 146.00 11 18.99 101.98 + + ++++ +++ +* Angle PHI ILE 19 239.00 273.00 15 14.82 38.24 ++++++*+++ +++ + + Angle PSI ILE 19 124.00 144.00 15 26.58 96.11 +*+++ +++++ +++++ Angle PHI LYS+ 20 204.00 242.00 16 34.23 121.18 + ++++ ++ +++ *+++++ Angle PSI LYS+ 20 128.00 162.00 11 12.06 55.27 ++ ++ ++++ ++* Angle PHI PHE 21 237.00 261.00 11 14.24 47.64 + + * + + ++ + + ++ Angle PSI PHE 21 106.00 132.00 14 21.54 59.88 +++++ +++ ++ *+++ Angle PHI ARG+ 22 225.00 267.00 13 17.39 42.86 ++ ++ + +++ +++*+ Angle PSI ARG+ 22 107.00 141.00 12 10.02 34.46 + +++ +++ *+++ + Angle PHI THR 24 276.00 298.00 13 10.15 28.85 ++*+++ + + ++ ++ + Angle PHI ASP- 25 248.00 276.00 10 6.09 16.48 + ++ *++++ + + Angle PSI ASP- 25 359.00 25.00 10 5.49 17.04 +*+ ++ + + +++ Angle PHI ASP- 28 210.00 256.00 13 13.90 45.92 ++++ * + + +++++ + Angle PSI ASP- 28 127.00 157.00 10 12.90 51.65 + ++* + ++ + ++ Angle PHI ILE 29 214.00 268.00 11 11.34 44.14 ++ + + * + ++ ++ + Angle PSI ILE 29 109.00 149.00 10 9.92 61.51 + + ++++++ * + Angle PSI PRO 31 128.00 150.00 18 24.88 55.80 ++++ ++++++++++*+++ Angle PHI LYS+ 32 205.00 253.00 13 15.20 47.62 ++ + + +++ + ++ +*+ Angle PSI LYS+ 32 137.00 157.00 18 21.44 73.11 ++++++ ++++++*+++ ++ Angle PHI ALA 33 246.00 278.00 14 13.90 35.54 ++ ++++++ +++ + + * Angle PSI ALA 33 120.00 148.00 10 8.25 27.97 + ++++ ++*++ Angle PSI PHE 34 116.00 164.00 14 14.81 34.94 + + ++* ++++ +++++ Angle PSI PRO 35 119.00 149.00 12 6.45 17.02 + +++ ++++ *+ + + Angle PHI THR 38 261.00 293.00 10 7.14 26.22 + + + *+ +++ ++ Angle PSI THR 38 113.00 153.00 12 7.17 30.36 + ++++++ +* +++ Angle PHI VAL 40 282.00 302.00 8 5.58 14.76 +*++ ++ ++ Angle PSI VAL 40 319.00 339.00 9 7.80 55.12 + +++++ +* + Angle PHI SER 41 281.00 301.00 16 11.39 35.60 ++ ++ +++++*++++++ Angle PSI SER 41 309.00 329.00 12 9.56 36.41 ++ + ++ ++ * ++++ Angle PHI ALA 42 282.00 302.00 13 12.33 47.00 + + *+ +++++++++ Angle PSI ALA 42 314.00 334.00 11 8.39 31.25 + + +++*+ + +++ Angle PHI LEU 43 283.00 303.00 15 7.09 18.40 ++ ++*+ +++ +++ +++ Angle PSI LEU 43 314.00 338.00 15 13.34 32.49 ++*+ ++++ +++++ ++ Angle PHI LYS+ 44 263.00 301.00 10 9.57 66.76 ++ + *+++ ++ + Angle PSI LYS+ 44 314.00 10.00 14 27.55 60.92 +++ ++ *++ + +++++ Angle PHI GLU- 45 283.00 303.00 13 17.02 47.77 +++++ * ++ +++ + + Angle PSI GLU- 45 311.00 337.00 17 18.37 91.43 + ++++++++++ ++*+++ Angle PHI THR 46 286.00 306.00 18 22.48 54.99 +++++*++++++++ ++ ++ Angle PSI THR 46 307.00 333.00 8 8.62 40.75 + +++ + * + + Angle PHI VAL 47 286.00 306.00 16 21.06 92.93 ++++++ +++*+++ +++ Angle PSI VAL 47 304.00 324.00 10 12.90 86.56 ++ + +*+++++ Angle PHI ILE 48 291.00 311.00 16 14.63 63.14 ++++++++ + ++++ *+ + Angle PSI ILE 48 308.00 328.00 9 7.03 42.92 + +++ + + * + + Angle PHI TRP 51 251.00 281.00 13 11.92 42.48 ++ ++ +++ +++ + +* Angle PSI TRP 51 110.00 138.00 13 11.70 40.63 ++++ + ++ +*+ ++ + Angle PHI ARG+ 53 285.00 305.00 12 8.46 30.33 *+ + + ++++ ++++ Angle PSI ARG+ 53 314.00 334.00 18 23.66 53.30 ++++++++++++++ *+++ Angle PHI GLU- 54 256.00 286.00 20 25.08 47.71 ++++++++++++++++*+++ Angle PSI GLU- 54 331.00 13.00 10 7.92 26.84 *++ +++ ++ + + Angle PHI THR 61 232.00 276.00 15 16.59 44.08 + *+++++ + ++++ ++ + Angle PSI THR 61 147.00 175.00 17 13.91 32.04 +++++++ ++++ ++*+++ Angle PHI VAL 62 289.00 309.00 12 6.32 20.82 +++ ++ ++++ ++ * Angle PSI VAL 62 316.00 336.00 14 10.96 33.63 +++++ +* + +++++ + Angle PHI VAL 65 225.00 259.00 13 9.93 24.17 ++ ++* + ++++ +++ Angle PSI VAL 65 92.00 130.00 18 15.92 35.74 ++ ++*+++++++ ++++++ Angle PHI LYS+ 66 235.00 281.00 17 18.53 44.42 ++++++++++*+++ +++ Angle PSI LYS+ 66 118.00 152.00 14 19.36 72.92 + + * ++ ++++ +++++ Angle PHI LEU 67 223.00 259.00 16 17.89 41.82 *++++ ++++ +++++++ Angle PSI LEU 67 135.00 155.00 16 27.89 58.60 ++++++ ++++*+ + +++ Angle PHI ILE 68 227.00 253.00 18 38.36 106.37 +++++++++++ +*+ ++++ Angle PSI ILE 68 110.00 146.00 11 11.58 42.14 + ++ + ++ *++ ++ Angle PHI SER 69 218.00 274.00 13 13.82 40.85 +++ * +++++++++ Angle PSI SER 69 110.00 134.00 11 10.05 33.25 + + ++ + + + +*+ + Angle PHI LYS+ 72 235.00 261.00 11 12.41 50.44 + + ++ ++*++ ++ Angle PSI LYS+ 72 116.00 150.00 14 20.04 83.78 + ++ +++* +++++ + + Angle PHI VAL 73 244.00 278.00 13 19.30 64.98 * +++ +++++++ + + Angle PSI VAL 73 107.00 137.00 12 13.26 69.96 ++++ ++ ++ + + +* Angle PHI ASN 76 276.00 300.00 9 8.22 44.11 ++ + + + ++ *+ Angle PSI ASN 76 320.00 344.00 11 7.04 22.05 + ++ +++++++ * Angle PHI THR 79 222.00 272.00 11 6.88 17.50 ++*++ + + ++ ++ Angle PSI THR 79 148.00 174.00 18 18.77 59.65 ++++++++ +++ ++++++* Angle PHI VAL 80 284.00 304.00 8 6.08 26.95 + ++* + ++ + Angle PSI VAL 80 313.00 333.00 7 4.31 16.73 + + + ++ + * Angle PHI LYS+ 81 287.00 307.00 9 4.60 18.26 +++ ++ * + ++ Angle PSI LYS+ 81 309.00 331.00 10 5.33 13.39 +++ ++ + * + + + Angle PHI ARG+ 84 239.00 303.00 7 5.69 30.72 +* + + +++ Angle PSI ARG+ 84 118.00 162.00 12 10.60 29.33 ++ + *+++++ +++ Angle PHI SER 85 256.00 276.00 11 11.35 42.09 *++ + + +++ + ++ Angle PSI SER 85 113.00 153.00 10 16.57 140.26 +++ * ++ ++ + + Angle PHI LEU 90 254.00 298.00 14 17.55 35.54 +++++ +* ++ + ++++ Angle PSI LEU 90 119.00 151.00 20 44.67 66.86 +++++++++++++++*++++ Angle PHI GLY 92 77.00 97.00 14 10.24 35.13 ++*+ ++ ++++ ++ ++ Angle PSI GLY 92 349.00 11.00 11 10.97 36.01 *++ ++ +++++ + Angle PHI ALA 93 251.00 297.00 19 20.37 46.43 *++++++++++++++++++ Angle PSI ALA 93 109.00 151.00 19 34.69 60.23 * ++++++++++++++++++ Angle PHI VAL 94 245.00 279.00 11 10.80 38.37 *+ ++++++ + ++ Angle PSI VAL 94 119.00 147.00 14 14.31 40.79 +++ + +*++ +++++ + Angle PHI THR 95 219.00 273.00 13 9.00 24.22 +++ + ++ +* +++++ Angle PSI THR 95 113.00 139.00 16 24.89 64.67 ++ +++++*+ ++ +++++ Angle PHI THR 96 246.00 294.00 17 27.35 61.44 + +++ +*+++++++++ ++ Angle PSI THR 96 116.00 146.00 18 32.02 93.22 * ++ +++++++++++++++ Angle PHI MET 97 248.00 292.00 16 25.63 52.48 +*++++++ ++ ++++++ Angle PSI MET 97 120.00 166.00 15 18.67 52.67 *+++++++ + + ++ +++ Angle PHI HIS+ 98 248.00 288.00 11 13.85 75.56 + * + ++ + +++ ++ Angle PSI HIS+ 98 121.00 149.00 20 33.98 70.19 +++++++++*++++++++++ Angle PHI VAL 99 242.00 268.00 18 21.77 71.35 +++ * ++++++++++++++ Angle PSI VAL 99 121.00 143.00 18 28.93 66.85 ++ +++++++++ ++++*++ Angle PHI ILE 100 227.00 273.00 16 16.19 38.24 + + +++++++++ +++*+ Angle PSI ILE 100 113.00 143.00 18 25.90 86.11 ++++ ++ +++++++++*++ Angle PHI ILE 101 252.00 274.00 17 26.79 53.30 + +* +++++++++ +++++ Angle PSI ILE 101 107.00 131.00 15 25.93 83.79 +++*+ + ++++++ + ++ Angle PHI GLN 102 231.00 287.00 14 18.33 63.91 *++++++++ ++ + ++ Angle PSI GLN 102 122.00 152.00 12 21.71 94.01 + ++ * + ++++++ + Angle PHI VAL 105 255.00 287.00 13 14.37 77.10 + ++ + +++ +++ + *+ Angle PSI VAL 105 109.00 151.00 8 5.06 14.97 ++ ++ + + + * Angle PSI THR 106 112.00 150.00 10 6.12 24.62 +++ +*++ + ++ Angle PHI VAL 122 258.00 290.00 6 3.54 21.41 + +* ++ + 37 violated distance constraints. 108 violated angle constraints. RMSDs for residues 20..108: Average backbone RMSD to mean : 6.76 +/- 0.89 A (5.07..8.57 A) Average heavy atom RMSD to mean : 7.64 +/- 1.21 A (5.59..10.32 A)