Structural statistics: str target upper limits van der Waals torsion angles function # sum max # sum max # sum max 1 17.15 55 18.0 1.17 11 13.6 0.45 23 375.9 26.02 2 23.55 58 18.9 1.16 13 17.6 0.39 20 404.7 41.70 3 23.75 55 18.3 1.29 18 18.5 0.52 25 416.6 32.58 4 26.86 59 21.2 1.46 19 18.1 0.64 27 422.5 28.27 5 27.88 63 20.9 1.06 16 18.5 0.36 30 520.4 49.18 6 28.28 65 21.6 1.00 17 19.1 0.38 36 580.5 43.22 7 28.89 72 26.4 0.95 20 22.5 0.39 27 501.7 26.53 8 29.91 60 20.6 1.20 5 16.1 0.31 25 490.5 51.88 9 30.36 71 24.3 1.12 14 19.8 0.46 35 581.0 29.01 10 31.29 67 25.9 1.23 14 20.0 0.41 31 510.2 41.21 11 31.32 69 26.4 1.46 13 20.4 0.50 24 412.4 45.34 12 31.36 54 19.5 1.20 17 19.9 0.63 29 507.8 58.85 13 32.89 84 29.1 1.15 18 24.3 0.55 37 510.4 36.34 14 33.86 77 30.4 1.50 14 19.2 0.38 38 537.1 38.83 15 34.37 85 32.9 1.20 20 23.8 0.55 35 531.3 32.01 16 34.72 91 36.3 1.20 20 30.1 0.47 31 419.9 28.97 17 35.14 84 32.5 1.45 16 25.1 0.33 31 513.8 25.77 18 36.80 84 32.6 1.15 28 29.0 0.47 33 508.0 35.84 19 37.09 84 30.9 1.14 21 23.9 0.61 35 554.6 37.34 20 37.99 67 25.6 1.20 18 23.5 0.36 30 592.3 53.06 Ave 30.67 70 25.6 1.21 17 21.2 0.46 30 494.6 38.10 +/- 5.06 12 5.5 0.15 5 4.0 0.10 5 62.8 9.59 Min 17.15 54 18.0 0.95 5 13.6 0.31 20 375.9 25.77 Max 37.99 91 36.3 1.50 28 30.1 0.64 38 592.3 58.85 Constraints violated in 6 or more structures: Cutoffs: Upper distance limits : 0.10 A Lower distance limits : 0.20 A Angle constraints : 5.00 deg # mean max. 1 5 10 15 20 Upper HE22 GLN 102 - QB ALA 103 4.12 14 0.22 0.88 ++ ++ ++ + ++ +++*+ # peak 165 # SUP 1.37 HN ARG+ 84 - QB ALA 103 # SUP 0.24 Upper HZ PHE 21 - QD1 LEU 43 5.18 8 0.10 0.41 + + + ++*+ + # peak 169 # SUP 1.61 QD PHE 21 - QD1 LEU 43 # SUP 3.03 Upper HA ASN 89 - QG2 THR 95 4.44 10 0.16 0.73 + ++ ++ +++* + # peak 172 # SUP 3.87 HA ASN 89 - QG2 THR 96 # SUP 1.71 Upper QD1 LEU 43 - QG1 VAL 47 4.36 6 0.08 0.56 + + + + +* # peak 260 # SUP 0.84 QD1 LEU 43 - HG13 ILE 68 # SUP 1.64 Upper HA ASN 89 - QG1 VAL 94 4.51 6 0.19 0.94 + + ++ *+ # peak 295 # SUP 3.56 HA VAL 73 - QG1 VAL 94 # SUP 2.26 Upper HA VAL 73 - HB3 GLU- 75 4.45 14 0.28 0.92 + ++++++ ++++ ++* # peak 301 # SUP 4.06 HA VAL 73 - HG2 GLN 102 # SUP 1.23 HA VAL 73 - HB3 PRO 104 # SUP 0.75 HA VAL 73 - HG2 PRO 104 # SUP 1.26 Upper HA ASN 89 - HA VAL 94 4.03 6 0.13 0.66 +* +++ + # peak 526 # SUP 3.58 Upper HA ASN 89 - QB ALA 103 3.96 13 0.52 1.23 ++ +++++* +++++ # peak 719 # SUP 6.34 Upper HG LEU 74 - QG2 ILE 100 4.61 11 0.16 0.57 + +++ + ++ + + +* # peak 786 # SUP 3.68 HD3 LYS+ 20 - QG2 ILE 100 # SUP 0.90 Upper HA ARG+ 53 - HB3 GLU- 54 4.34 20 1.06 1.20 +++++++++++++++++++* # peak 938 # SUP 1.72 Upper HA LEU 43 - HB ILE 68 5.50 18 0.29 0.81 +++++++ +++++++ ++*+ # peak 941 # SUP 0.02 HA LEU 43 - HG3 PRO 59 # SUP 0.02 Upper QG2 ILE 48 - HA LYS+ 60 4.90 10 0.15 0.55 + ++ + +++ *+ + # peak 952 # SUP 0.68 QG2 ILE 48 - HB THR 61 # SUP 0.25 Upper QG2 ILE 48 - HB3 LEU 67 4.91 13 0.22 0.49 ++++ +++ ++*++ + # peak 955 # SUP 2.15 Upper HA SER 85 - HB2 PRO 86 4.29 20 0.26 0.36 ++++++++++++*+++++++ # peak 991 # SUP 4.52 HA SER 85 - HB3 PRO 86 # SUP 4.54 HA GLU- 56 - HA1 GLY 58 # SUP 3.35 Upper HA VAL 73 - HA GLU- 75 3.91 14 0.18 0.37 +++ ++ ++*+ + + +++ # peak 1014 # SUP 3.47 HA SER 85 - HA PRO 86 # SUP 2.16 HA GLU- 75 - HA ILE 101 # SUP 1.20 HA GLU- 75 - HA ILE 100 # SUP 0.68 Upper HG LEU 74 - QD1 ILE 101 4.43 12 0.24 0.73 + + ++++ ++ +++* # peak 1274 # SUP 5.87 Upper HA ASN 89 - HD3 PRO 104 3.60 9 0.20 0.85 * +++ + + + ++ # peak 1325 # SUP 5.28 Upper HB3 LEU 67 - HB ILE 68 4.91 14 0.24 0.86 +++ ++++ + ++ +*++ # peak 1365 # SUP 3.85 Upper HE3 LYS+ 60 - HG LEU 74 4.19 16 0.27 0.73 +++++++ +++ ++*+ ++ # peak 1510 # SUP 0.98 Upper HE3 LYS+ 20 - HG LEU 74 4.52 6 0.05 0.17 *+ + + ++ # peak 1698 # SUP 2.20 HD3 LYS+ 113 - HB3 ASP- 115 # SUP 0.02 Upper QD1 LEU 43 - HB ILE 68 5.38 6 0.07 0.27 + ++ + *+ # peak 1714 # SUP 4.25 Upper HB ILE 29 - HB ILE 48 4.99 17 0.31 0.64 +++++++++++*+++ ++ # peak 1723 # SUP 2.08 Upper HG LEU 74 - HB ILE 100 5.50 7 0.15 0.74 + + +++ + * # peak 1748 # SUP 5.33 Upper HN LYS+ 60 - HB2 LYS+ 66 5.31 12 0.16 0.50 + +++* + + ++ +++ # peak 1911 # SUP 1.73 Upper HB3 LYS+ 72 - HN VAL 94 4.81 12 0.18 0.75 + + +++ + +*+ +++ # peak 1924 # SUP 3.43 Upper HA ASN 89 - HG2 GLN 102 5.50 6 0.07 0.40 + ++ * ++ # peak 1927 # SUP 3.08 Upper QD1 ILE 101 - HG2 GLN 102 5.20 7 0.08 0.46 ++ + +* + + # peak 1936 # SUP 1.96 Upper HG2 PRO 112 - HB2 LYS+ 113 3.85 6 0.08 0.27 + +++ + * # peak 1949 # SUP 2.11 Upper HA ASN 89 - HB3 PRO 104 4.43 11 0.18 0.53 + + ++ + +++*++ # peak 2066 # SUP 5.67 HA VAL 73 - HB3 PRO 104 # SUP 0.75 Upper HA ASN 89 - HB2 PRO 104 5.50 7 0.27 1.41 ++* +++ + # peak 2071 # SUP 7.02 Upper HB3 PRO 86 - HB2 PRO 116 3.36 6 0.08 0.34 * + + ++ + # peak 2089 # SUP 4.91 HB2 PRO 86 - HB2 PRO 116 # SUP 5.50 Upper HB2 PRO 86 - QG2 VAL 87 4.47 7 0.11 0.46 + * + + +++ # peak 2101 # SUP 5.04 Upper HN ASN 89 - HB3 GLN 102 4.88 7 0.13 0.82 + ++ ++ * + # peak 2173 # SUP 1.08 Upper HA ASN 89 - HB3 GLN 102 4.13 10 0.23 0.72 + + + ++++*++ # peak 2181 # SUP 5.71 Upper HD3 LYS+ 20 - HG LEU 74 5.00 10 0.14 0.47 + ++++ + ++ *+ # peak 2266 # SUP 2.50 HD3 LYS+ 20 - HG13 ILE 100 # SUP 1.66 Upper HG3 GLU- 45 - HB2 GLU- 50 5.28 8 0.07 0.25 +++ * + +++ # peak 2315 # SUP 0.94 HG2 GLU- 45 - HB2 GLU- 50 # SUP 1.18 Upper HB2 LEU 67 - HG13 ILE 68 5.29 12 0.16 0.44 + +++ + +++* + ++ # peak 2466 # SUP 3.45 HB2 LEU 67 - HG12 ILE 68 # SUP 3.39 Upper HD3 LYS+ 20 - HG13 ILE 68 4.30 12 0.13 0.37 *+ + +++ +++ ++ + # peak 2497 # SUP 2.28 HB3 LYS+ 20 - HG12 ILE 68 # SUP 2.36 HB3 LYS+ 20 - HG13 ILE 68 # SUP 2.07 HD3 LYS+ 20 - HG12 ILE 68 # SUP 1.44 HB2 LYS+ 20 - HG13 ILE 68 # SUP 1.95 HB2 LYS+ 20 - HG12 ILE 68 # SUP 2.20 Upper QG2 VAL 94 - HB THR 96 4.60 17 0.46 1.36 +++++++ + ++*++++++ # peak 2501 # SUP 1.70 Upper HB THR 96 - HA MET 97 5.50 14 0.16 0.28 ++++ +++++ ++*++ # peak 2508 # SUP 0.70 HA ASN 89 - HB THR 96 # SUP 1.74 Upper QD2 LEU 67 - HB ILE 68 4.33 6 0.07 0.26 + + +*+ + # peak 2526 # SUP 4.99 HG LEU 74 - HG12 ILE 100 # SUP 4.66 Upper HG3 ARG+ 84 - HA SER 85 5.31 10 0.20 0.80 ++ + +++++ +* # peak 2535 # SUP 1.06 Upper HA ASN 89 - HG3 PRO 104 4.26 7 0.24 1.46 ++* +++ + # peak 2538 # SUP 5.80 Upper HG LEU 74 - HB3 GLU- 75 4.93 8 0.09 0.31 + ++ +*++ + # peak 2558 # SUP 5.99 Upper HG LEU 90 - HB2 PRO 104 4.85 9 0.19 0.73 + ++ + ++++* # peak 2569 # SUP 0.75 HB3 LYS+ 72 - HG LEU 74 # SUP 1.77 HB2 PRO 59 - HG LEU 74 # SUP 1.77 HB3 PRO 59 - HG LEU 74 # SUP 1.28 HB VAL 73 - HG LEU 74 # SUP 3.18 Upper HA1 GLY 58 - QG1 VAL 99 4.85 6 0.10 0.48 + + * + ++ # peak 2988 # SUP 0.55 Upper HG LEU 67 - QD1 ILE 68 2.68 13 0.23 0.57 ++++ ++* +++++ + # peak 3309 # SUP 3.33 QG2 ILE 48 - QD1 ILE 68 # SUP 0.56 HG2 PRO 59 - QD1 ILE 68 # SUP 0.10 Upper HB3 LEU 67 - QG2 ILE 68 5.50 6 0.05 0.21 + *++ + + # peak 3323 # SUP 2.55 QD2 LEU 43 - HB3 LEU 67 # SUP 1.26 Upper HA LYS+ 60 - HB THR 61 3.62 20 0.56 1.27 ++++++++++++++++*+++ # peak 3343 # SUP 2.58 Upper QE PHE 21 - HB ILE 68 5.50 6 0.09 0.51 + *+ + ++ # peak 3696 # SUP 2.48 Upper HA ASN 89 - HD2 PRO 104 2.63 8 0.16 0.53 * +++ + + + + # peak 3765 # SUP 5.28 Upper HB2 LYS+ 20 - QD1 ILE 68 4.05 8 0.14 0.81 ++ + + ++ * + # peak 3796 # SUP 3.35 HB3 LYS+ 20 - QD1 ILE 68 # SUP 3.27 HD3 LYS+ 20 - QD1 ILE 68 # SUP 2.92 Upper HB2 LEU 67 - QD1 ILE 68 4.12 18 0.28 0.45 ++++++*++++++++ + ++ # peak 3797 # SUP 4.90 Upper QD1 ILE 29 - HB2 GLU- 50 5.50 6 0.14 0.61 + ++*+ + # peak 3798 # SUP 1.02 QD1 ILE 29 - HA1 GLY 58 # SUP 0.02 Upper QB ALA 70 - HN LYS+ 72 5.50 6 0.11 0.52 + * + + + + # peak 3812 # SUP 2.07 Upper QG1 VAL 94 - HG3 PRO 104 4.27 6 0.17 0.99 + + +* + + # peak 3849 # SUP 1.31 Upper QG2 VAL 94 - HG3 PRO 104 4.95 7 0.14 0.69 +* + + + + + # peak 3854 # SUP 0.74 Upper HA ASN 89 - QG2 VAL 94 4.79 10 0.24 0.81 ++ * + ++ ++ ++ # peak 3858 # SUP 3.56 HA VAL 73 - QG2 VAL 94 # SUP 3.08 Upper HB THR 61 - QG2 VAL 62 5.50 7 0.12 0.39 + * + +++ + # peak 3876 # SUP 3.91 Upper HD1 TRP 51 - HB3 ARG+ 53 4.40 7 0.11 0.80 ++ ++ ++* # peak 342 # SUP 1.25 Upper QG2 VAL 47 - HE3 TRP 51 3.98 12 0.26 0.96 + +++ ++ ++ +++* # peak 380 # SUP 2.01 QG1 VAL 47 - HE3 TRP 51 # SUP 2.18 Upper HA TYR 83 - QE TYR 83 4.88 10 0.33 0.76 + +++ + + + +*+ # peak 547 # SUP 2.17 Upper QD TYR 83 - HG3 ARG+ 84 4.57 14 0.31 0.77 +* +++ +++ ++++ + + # peak 551 # SUP 3.54 Upper QD2 LEU 74 - QD TYR 83 4.88 6 0.10 0.48 ++ *+ + + # peak 553 # SUP 3.04 Upper QD1 LEU 74 - QD TYR 83 4.78 8 0.19 0.74 + ++ +* ++ + # peak 554 # SUP 3.53 Upper HG LEU 23 - HH2 TRP 51 4.55 6 0.06 0.28 *+ ++ + + # peak 557 # SUP 1.50 Upper HG3 LYS+ 20 - QE PHE 21 4.71 13 0.26 0.67 +++ ++++ ++++ + * # peak 570 # SUP 1.25 QE PHE 21 - QG2 THR 46 # SUP 0.70 QE PHE 21 - HG LEU 74 # SUP 1.25 Upper HN LEU 74 - QG2 ILE 101 4.68 6 0.07 0.59 + + + + +* # peak 32 # SUP 2.59 HN LEU 74 - QG2 VAL 94 # SUP 2.02 Upper HB3 GLU- 75 - HN ILE 101 4.90 8 0.16 0.66 + + + ++ + +* # peak 51 # SUP 3.43 Upper HN MET 97 - HA HIS+ 98 4.90 20 0.51 1.06 ++++*+++++++++++++++ # peak 71 # SUP 1.57 Upper HA ASN 89 - HN THR 95 4.07 20 0.72 1.29 ++*+++++++++++++++++ # peak 91 # SUP 4.11 Upper HN LYS+ 20 - QG2 VAL 94 4.86 9 0.23 0.84 + +++ +*+ ++ # peak 126 # SUP 1.87 Upper HN ARG+ 22 - HN ASP- 28 5.50 8 0.18 1.04 + ++ +++ +* # peak 138 # SUP 0.84 HN ARG+ 22 - HN VAL 99 # SUP 0.80 Upper HN GLU- 56 - HA1 GLY 58 5.22 7 0.07 0.29 ++ + ++* + # peak 228 # SUP 1.79 Upper HN ALA 42 - HG LEU 43 4.08 7 0.09 0.30 + +++ * ++ # peak 233 # SUP 0.81 Upper HA ASN 89 - HN ALA 93 4.66 10 0.11 0.39 + +++ ++ + * + + # peak 291 # SUP 2.57 HA LEU 90 - HN ALA 93 # SUP 1.73 Upper HN PHE 21 - HN ILE 29 5.47 6 0.17 1.45 ++ + ++* # peak 314 # SUP 2.57 Upper HG2 PRO 104 - HN CYS 121 5.33 7 0.08 0.31 + + + *+ + + # peak 363 # SUP 0.99 HB3 PRO 104 - HN CYS 121 # SUP 0.98 HG2 PRO 104 - HN VAL 122 # SUP 1.13 HB3 PRO 104 - HN VAL 122 # SUP 0.82 Upper QB ALA 91 - HN LYS+ 117 5.50 7 0.10 0.54 + + ++ ++* # peak 376 # SUP 2.25 Upper HB3 ARG+ 53 - HN LYS+ 55 4.51 16 0.22 0.65 ++++ ++++ +++++*++ # peak 413 # SUP 1.71 Upper HN LYS+ 72 - HN THR 95 5.09 10 0.17 0.67 ++ ++ ++ *+++ # peak 447 # SUP 2.10 HN SER 69 - HN LYS+ 72 # SUP 0.25 Upper HN LEU 90 - HG2 LYS+ 110 4.17 10 0.17 0.56 + +*+++ ++++ # peak 491 # SUP 1.67 HN LEU 90 - HG3 LYS+ 110 # SUP 0.76 Upper HB2 LYS+ 20 - HN VAL 94 4.84 16 0.28 0.83 ++++ ++++++++*++ + # peak 506 # SUP 2.83 HB3 LYS+ 20 - HN VAL 94 # SUP 2.40 HG3 LYS+ 20 - HN VAL 94 # SUP 2.88 QB ALA 91 - HN VAL 94 # SUP 0.74 HD3 LYS+ 20 - HN VAL 94 # SUP 1.83 Upper HD3 LYS+ 72 - HN VAL 94 4.54 8 0.14 0.73 ++ ++ *+ + + # peak 510 # SUP 2.14 HB VAL 73 - HN VAL 94 # SUP 1.01 Upper HA ASN 89 - HN VAL 105 3.78 16 0.42 1.50 ++ ++ +++ +++*+ ++++ # peak 555 # SUP 3.89 HA ASN 89 - HN VAL 94 # SUP 4.54 HA VAL 73 - HN VAL 94 # SUP 3.03 Upper QD2 LEU 90 - HN LYS+ 110 4.36 7 0.08 0.53 + + *++ + + # peak 564 # SUP 1.06 Upper HN THR 106 - HA MET 118 5.50 11 0.20 1.10 ++ ++ + * ++ ++ + # peak 702 # SUP 0.53 HA ASN 89 - HN THR 106 # SUP 1.45 Upper HN LYS+ 81 - HG3 ARG+ 84 4.24 17 0.27 0.50 ++++++ ++ +++* +++++ # peak 718 # SUP 2.53 Upper HA ASN 89 - HN THR 106 5.20 8 0.12 0.49 + + ++++ +* # peak 721 # SUP 1.45 HA ALA 103 - HN THR 106 # SUP 0.56 HN THR 106 - HA CYS 123 # SUP 0.02 Upper HN GLU- 45 - QG2 VAL 62 4.78 14 0.22 0.50 ++++ +++ + ++ ++*+ # peak 750 # SUP 1.85 HN GLU- 45 - HG12 ILE 68 # SUP 1.16 Upper HN SER 88 - HA ASN 89 4.73 11 0.16 0.83 ++ + * ++++ + ++ # peak 772 # SUP 4.09 Upper HA2 GLY 26 - HN ASP- 28 4.18 12 0.18 0.49 + ++ ++++ *++ ++ # peak 824 # SUP 2.26 HA1 GLY 26 - HN ASP- 28 # SUP 1.56 Upper HN VAL 87 - HB2 SER 88 4.71 6 0.06 0.27 + +* + ++ # peak 871 # SUP 3.31 HN VAL 87 - HA ASN 89 # SUP 3.15 Upper HA ASN 89 - HN GLY 92 4.23 20 0.52 0.85 ++++++++++*+++++++++ # peak 1017 # SUP 2.13 Upper HN THR 61 - HG2 GLU- 64 5.49 6 0.12 0.78 * + ++++ # peak 1039 # SUP 0.75 HN THR 61 - HB VAL 62 # SUP 2.41 Upper HN GLY 71 - QG2 VAL 94 4.82 8 0.13 0.68 + +++ +*+ + # peak 1074 # SUP 1.83 Upper HE1 TRP 51 - HB3 GLU- 56 5.41 6 0.06 0.38 + + +++* # peak 1116 # SUP 0.88 HE1 TRP 51 - HB3 GLU- 54 # SUP 1.19 Upper HN PHE 21 - HB ILE 29 5.50 9 0.15 0.53 + +*+ ++ + ++ # peak 1144 # SUP 4.57 Angle PHI PHE 21 237.00 261.00 6 3.85 13.19 + + + ++ * Angle PSI ARG+ 22 107.00 141.00 6 2.94 8.56 * + ++++ Angle PSI ALA 42 314.00 334.00 7 3.67 8.13 + * ++ + + + Angle PSI LEU 43 314.00 338.00 7 4.40 11.05 + +*+ + ++ Angle PSI LYS+ 44 314.00 10.00 10 5.25 12.90 + + +*+ ++ + ++ Angle PHI GLU- 45 283.00 303.00 11 7.53 25.37 + + *+++ + + + ++ Angle PSI GLU- 45 311.00 337.00 10 5.03 13.91 +++ ++ +++ * + Angle PHI THR 46 286.00 306.00 7 6.40 27.09 ++ +* + + + Angle PSI THR 46 307.00 333.00 7 3.71 18.29 ++ + * + + + Angle PHI VAL 47 286.00 306.00 12 7.13 22.63 +++ ++++ + +*++ Angle PSI VAL 47 304.00 324.00 15 9.69 20.50 +++ +++++*+++ + ++ Angle PHI ILE 48 291.00 311.00 8 3.61 8.78 ++* + + + ++ Angle PSI TRP 51 110.00 138.00 7 4.30 17.25 +++* ++ + Angle PSI ARG+ 53 314.00 334.00 18 10.64 43.22 +++++*++++ ++++++++ Angle PHI GLU- 54 256.00 286.00 10 7.36 33.97 +*+ + + + ++++ Angle PSI VAL 65 92.00 130.00 10 6.16 27.99 ++ ++ *++ + + + Angle PHI LYS+ 66 235.00 281.00 9 6.04 28.83 + + *+ + ++++ Angle PSI LEU 67 135.00 155.00 17 8.92 17.77 ++++++ ++++++ ++ *++ Angle PHI ILE 68 227.00 253.00 8 5.07 19.44 +++ + ++ *+ Angle PSI LYS+ 72 116.00 150.00 6 4.09 16.95 + + + +* + Angle PHI VAL 73 244.00 278.00 12 6.28 14.79 + +*++++ ++ ++ + Angle PSI ARG+ 84 118.00 162.00 6 3.38 10.85 +* +++ + Angle PHI SER 85 256.00 276.00 10 4.88 15.54 + +*++ ++++ + Angle PHI LEU 90 254.00 298.00 7 3.73 8.98 + + ++ ++* Angle PSI ALA 93 109.00 151.00 6 5.39 23.81 + + + + *+ Angle PHI VAL 94 245.00 279.00 7 2.79 8.62 +* +++ ++ Angle PHI THR 95 219.00 273.00 8 5.89 16.48 ++ + ++ + *+ Angle PSI THR 95 113.00 139.00 9 9.22 34.26 + ++ +*++ + + Angle PHI THR 96 246.00 294.00 12 11.06 36.34 +++++ +*++ +++ Angle PSI THR 96 116.00 146.00 18 18.54 33.64 +++++++ ++++ ++++*++ Angle PHI MET 97 248.00 292.00 18 17.21 35.84 +++++++ +++++ +++*++ Angle PSI MET 97 120.00 166.00 20 29.36 58.85 +++++++++++*++++++++ Angle PHI HIS+ 98 248.00 288.00 20 23.66 44.20 +++++++*++++++++++++ Angle PSI HIS+ 98 121.00 149.00 17 20.58 53.06 +++++++ ++++ +++++* Angle PHI VAL 99 242.00 268.00 19 23.20 37.97 ++++*++ ++++++++++++ Angle PSI VAL 99 121.00 143.00 20 27.44 41.46 +++++++*++++++++++++ Angle PHI ILE 100 227.00 273.00 20 22.69 38.99 +++++++*++++++++++++ Angle PSI ILE 100 113.00 143.00 19 15.26 37.34 ++++++ +++++++++++*+ Angle PHI ILE 101 252.00 274.00 15 11.62 35.51 ++ ++ ++++++++ + *+ Angle PSI ILE 101 107.00 131.00 6 3.99 18.09 * + + ++ + Angle PHI GLN 102 231.00 287.00 7 4.20 22.78 *+ + + ++ + Angle PSI GLN 102 122.00 152.00 11 6.44 16.03 ++ + +++ + + * ++ 98 violated distance constraints. 42 violated angle constraints. RMSDs for residues 20..123: Average backbone RMSD to mean : 5.38 +/- 1.32 A (3.43..7.92 A) Average heavy atom RMSD to mean : 5.96 +/- 1.31 A (3.93..8.44 A)