Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 391.09 20 0.1498 3.32 310 179.9 0.94 8813.2310 65.54 2 474.29 19 0.1455 3.03 377 221.8 1.01 11320.4017110.14 3 487.87 23 0.1543 3.71 450 242.5 0.92 11017.6090 85.64 4 513.40 29 0.1650 3.47 419 219.6 1.02 10017.3260 84.59 5 535.10 28 0.1615 3.27 402 221.4 0.93 11021.1156 77.70 6 542.35 21 0.1590 2.77 503 265.2 0.95 11018.6198 72.91 7 556.26 30 0.1669 3.17 488 258.8 1.20 10717.0012 59.86 8 557.73 31 0.1674 3.87 451 239.0 1.04 11219.4766 84.31 9 559.61 27 0.1665 3.66 457 241.7 0.99 10720.1671102.18 10 564.12 30 0.1673 2.91 420 234.8 0.83 10120.5401110.01 11 565.58 31 0.1746 5.03 411 225.5 0.80 10919.4487 83.93 12 580.84 34 0.1685 3.49 493 263.6 1.11 11418.9026 70.61 13 589.50 32 0.1700 4.16 438 233.8 1.16 10721.7148107.19 14 589.86 39 0.1749 3.53 474 250.2 1.05 11119.7451119.26 15 602.28 32 0.1769 5.00 433 236.5 1.13 12620.1865 65.45 16 605.55 37 0.1775 3.21 470 252.0 1.01 10719.4210 67.74 17 610.38 42 0.1782 3.96 455 255.9 0.87 12419.7795 62.68 18 614.62 38 0.1726 3.75 538 286.1 1.03 10919.0459 81.29 19 615.63 30 0.1715 3.37 481 262.8 1.01 9821.5667140.40 20 621.72 36 0.1737 4.32 511 281.7 1.18 11619.9213111.01 Ave 558.89 30 0.1671 3.65 449 243.6 1.01 10919.2610 88.12 +/- 55.99 6 0.0089 0.60 50 23.6 0.11 8 1.8569 21.66 Min 391.09 19 0.1455 2.77 310 179.9 0.80 8813.2310 59.86 Max 621.72 42 0.1782 5.03 538 286.1 1.20 12621.7148140.40 Cut 1.50 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper H HIS 5 - HA GLU 94 3.98 8 1.20 2.97 + + *+ ++ ++ peak 1870 H VAL 43 - HA GLU 94 H LEU 84 - HA GLU 94 HG LEU 36 - HB2 ASN 86 HB2 ARG 38 - HB2 ASN 86 HD3 LYS 68 - HB2 ASN 86 HB2 LEU 84 - HB2 ASN 86 Upper H HIS 5 - HA GLU 94 3.77 6 1.20 2.34 * ++ ++ + peak 33 H VAL 43 - HA GLU 94 H LEU 84 - HA GLU 94 HB3 MET 35 - HE1 HIS 72 HB3 LEU 36 - HE1 HIS 72 Upper H HIS 5 - H TYR 95 3.36 7 1.14 2.95 *+ + ++ ++ peak 463 HA ASP 82 - H GLU 85 H GLU 85 - HA ASP 106 H GLU 85 - HA GLN 160 Upper HA HIS 18 - H VAL 75 3.29 7 1.54 3.96 + ++ + *++ peak 2261 HA PRO 40 - H VAL 75 HA VAL 43 - H VAL 75 H VAL 75 - HA MET 111 HD3 ARG 97 - HB2 ASN 107 HD3 ARG 97 - HD3 ARG 137 Upper H ASN 19 - H ILE 63 4.18 8 1.19 3.02 + + +++ +*+ peak 1101 H ILE 63 - H ASP 88 H ILE 63 - H TRP 118 H GLY 69 - H ASP 125 H LEU 87 - H ASP 125 H GLU 91 - H ASP 125 Upper HB3 ASN 19 - HE1 TRP 130 3.18 9 1.36 3.04 *+ ++++ + ++ peak 1431 HD3 ARG 97 - HE1 TRP 130 HB2 ASP 106 - HE1 TRP 130 HB2 LEU 17 - QD1 ILE 32 QD1 ILE 32 - HB3 LEU 84 QD1 ILE 32 - QG2 THR 99 Upper HA VAL 20 - HB3 LYS 114 3.67 13 1.71 2.73 ++++++++* + + ++ peak 1098 HB3 LYS 114 - HA TYR 116 H GLU 83 - HG3 GLU 152 H GLU 85 - HG3 GLU 145 H GLU 85 - HG3 GLU 152 H VAL 90 - HG3 GLU 152 Upper HA GLN 27 - HB3 LYS 74 4.33 6 0.99 2.82 * + + +++ peak 2527 HD2 PRO 40 - HB3 LYS 74 HB3 LYS 74 - HA ILE 119 HA SER 44 - HD2 ARG 97 HA PRO 48 - HB3 TYR 95 HA PRO 48 - HD2 ARG 97 HD2 ARG 97 - HA ASN 107 Upper HA VAL 31 - HB ILE 32 3.87 16 1.51 2.17 ++++ + ++* +++++ +++ peak 2148 HA VAL 31 - HB VAL 90 HA VAL 31 - HG3 PRO 157 Upper QG2 VAL 31 - HZ2 TRP 135 3.33 6 1.05 2.77 * + + ++ + peak 357 HZ2 TRP 135 - HG3 ARG 137 H PHE 50 - QD PHE 53 H PHE 50 - QE PHE 53 Upper H MET 35 - HA VAL 71 3.91 6 1.16 5.00 ++++* + peak 983 H MET 35 - HA GLN 160 HB VAL 31 - HA PHE 132 HB2 ASN 33 - HA PHE 132 Upper H MET 35 - HA VAL 71 3.52 10 1.77 3.87 + *+ ++++ +++ peak 467 H MET 35 - HA GLN 160 HG LEU 76 - H GLU 85 H GLU 85 - HB2 GLU 105 H GLU 85 - HB3 ARG 137 Upper HA THR 46 - H THR 99 3.70 8 1.43 3.08 +*+ ++ + ++ peak 582 H THR 99 - HA2 GLY 101 H THR 99 - HA VAL 113 QG2 VAL 31 - HB3 LEU 84 HB3 LEU 84 - HG3 ARG 137 Upper HG LEU 47 - HA GLU 91 3.88 8 1.19 3.12 + *+ ++++ + peak 2337 HG LEU 47 - HB THR 115 HG LEU 47 - HA LEU 138 H PHE 21 - QG1 VAL 113 H VAL 75 - QG1 VAL 113 QG1 VAL 113 - H MET 117 Upper HD2 PRO 48 - HB3 LEU 138 4.39 8 1.21 2.92 +++ ++ + +* peak 1104 HB THR 99 - HB3 LEU 138 HB3 LEU 138 - HA LYS 140 H ASN 86 - HG3 GLU 145 H ASN 86 - HG3 GLU 152 Upper QG1 VAL 64 - HA LYS 74 3.52 11 1.70 5.03 + + ++* ++++++ peak 1607 HA LYS 74 - HG12 ILE 119 HA LYS 74 - HG3 LYS 141 HB3 ASN 86 - HD21 ASN 162 Upper HA VAL 79 - H SER 81 2.98 9 1.49 3.27 + ++ + + *+++ peak 1707 H SER 81 - HB THR 115 H SER 81 - HA PHE 143 HD22 ASN 19 - HB2 GLU 70 HD22 ASN 19 - HB VAL 71 Upper HB3 ASP 82 - H GLU 85 3.40 12 1.55 2.24 + ++++ ++ + ++ * + peak 2234 H GLU 85 - HB2 ARG 104 H GLU 85 - HB2 ASN 120 H PHE 50 - HB2 PHE 53 HB2 PHE 53 - HZ2 TRP 118 HB2 PHE 53 - H ASN 120 VdW HA LEU 15 - CD1 LEU 15 2.60 6 0.14 0.41 +++ + * + VdW CB LEU 17 - H HIS 18 2.55 6 0.11 0.39 + * + ++ + VdW CG1 VAL 20 - C VAL 20 2.90 7 0.10 0.33 + + + + * ++ VdW O GLN 27 - CB ASP 28 2.90 6 0.11 0.47 +*+ + + + VdW CB ASP 28 - CD PRO 29 3.20 7 0.16 0.73 + + +++* + VdW CB ASP 28 - HD2 PRO 29 2.60 7 0.17 0.81 + + + ++* + VdW C PRO 29 - H VAL 31 2.45 7 0.14 0.65 + + * + + + + VdW CG2 ILE 32 - CD1 ILE 32 3.00 6 0.10 0.32 *+ + ++ + VdW CG2 ILE 32 - C ILE 32 2.90 7 0.14 0.33 + + * + + ++ VdW O ILE 32 - CD2 LEU 36 2.90 6 0.11 0.42 *+ ++ + + VdW HA ASN 33 - H ARG 38 1.95 6 0.11 0.43 * + ++ + + VdW CG1 VAL 34 - C VAL 34 2.90 9 0.14 0.33 + + * + + + +++ VdW O LEU 36 - CB ASP 37 2.90 9 0.21 0.59 + + ++*+ + + + VdW HA THR 39 - CD PRO 40 2.60 10 0.18 0.30 *++ + + ++ ++ + VdW CG1 ILE 42 - C ILE 42 2.90 8 0.13 0.31 +* ++ + + + + VdW CD1 ILE 42 - C ILE 42 3.10 8 0.13 0.45 +* ++ + ++ + VdW CG2 THR 46 - C THR 46 2.90 6 0.12 0.32 + +*+ + + VdW HA LEU 47 - CD PRO 48 2.60 6 0.12 0.30 * ++ ++ + VdW HB3 LEU 47 - O VAL 71 2.30 6 0.13 0.61 +* + + + + VdW CG LEU 47 - O LEU 47 2.90 7 0.16 0.68 + +++ + + * VdW CD1 LEU 47 - C LEU 47 3.10 7 0.15 0.44 +*+ + + ++ VdW CD1 LEU 47 - O LEU 47 2.90 8 0.23 0.81 + *+ ++ + ++ VdW CD2 LEU 47 - O LEU 47 2.90 6 0.17 1.04 +++ + * + VdW O GLY 49 - N SER 66 2.75 7 0.18 0.84 + +* + ++ + VdW HA PHE 50 - O VAL 64 2.30 8 0.15 0.62 + + ++ + * + + VdW N GLN 51 - O VAL 64 2.75 11 0.29 0.78 ++++ + + + * + + + VdW H GLN 51 - O VAL 64 1.80 6 0.13 0.39 *+++ + + VdW CB GLN 51 - CB SER 66 3.20 6 0.10 0.39 ++ * ++ + VdW CG GLN 51 - C GLN 51 2.90 9 0.12 0.24 + +++ + ++* + VdW HG3 GLN 51 - C GLN 51 2.50 6 0.13 0.45 +++ *+ + VdW O GLN 51 - HA ILE 63 2.30 6 0.11 0.48 + + + + +* VdW O GLN 51 - CD1 ILE 63 2.90 6 0.15 0.80 + * ++ + + VdW O GLN 51 - HD12 ILE 63 2.30 6 0.16 0.78 + + + *+ + VdW O GLN 51 - N VAL 64 2.75 7 0.17 0.59 + + + + *++ VdW N PHE 53 - O CYS 62 2.75 6 0.16 0.56 + ++ + +* VdW CB TYR 60 - CD PRO 61 3.20 15 0.33 0.72 + + *++++ ++++++ ++ VdW CB TYR 60 - HD2 PRO 61 2.60 6 0.15 0.61 *+ ++ ++ VdW CB TYR 60 - HD3 PRO 61 2.60 8 0.13 0.48 + + * + + + ++ VdW HB3 TYR 60 - HD2 PRO 61 2.00 6 0.11 0.53 *+ ++ ++ VdW CG2 ILE 63 - C ILE 63 2.90 6 0.11 0.33 +++ * + + VdW CB VAL 64 - CD PRO 65 3.20 6 0.17 0.61 + ++ ++ * VdW CB VAL 64 - HD2 PRO 65 2.60 10 0.23 0.71 + ++++++ * ++ VdW HB VAL 64 - HD2 PRO 65 2.00 10 0.27 0.96 + +++++* + + + VdW CG2 VAL 64 - HD2 PRO 65 2.60 7 0.17 0.92 + + + +* + + VdW N HIS 72 - CD2 HIS 72 3.05 9 0.19 0.53 + + * ++ + ++ + VdW CD1 LEU 76 - C LEU 76 3.10 7 0.16 0.61 + ++ + + + * VdW O GLY 78 - O VAL 79 2.60 6 0.11 0.54 ++++ * + VdW CG1 VAL 79 - C VAL 79 2.90 8 0.14 0.33 +++ +*+ + + VdW CG1 VAL 79 - HB2 LEU 84 2.60 7 0.15 0.48 + +++ * + + VdW C THR 80 - H ASP 82 2.45 6 0.12 0.37 +++ + + * VdW O SER 81 - CB GLU 85 2.90 7 0.14 0.46 + +* + ++ + VdW O ASN 86 - C LEU 87 2.80 6 0.12 0.43 + *++ + + VdW O ASN 86 - N VAL 90 2.75 8 0.17 0.51 +*++ + ++ + VdW O ASN 93 - CB GLU 94 2.90 6 0.12 0.52 + *+ + + + VdW O VAL 98 - HA LYS 114 2.30 6 0.19 0.93 + * + ++ + VdW O VAL 98 - CB LYS 114 2.90 6 0.12 0.57 + + * + ++ VdW CG2 THR 99 - C THR 99 2.90 9 0.16 0.32 ++ + + * ++ ++ VdW CG2 THR 99 - O THR 99 2.90 6 0.11 0.36 + * + ++ + VdW N VAL 100 - O VAL 113 2.75 6 0.12 0.58 + * + + ++ VdW CG1 ILE 102 - C ILE 102 2.90 7 0.12 0.33 + *+ + + + + VdW CD1 ILE 102 - C ILE 102 3.10 11 0.20 0.42 ++ + +* + +++++ VdW CG ARG 104 - H ASP 106 2.55 6 0.14 0.63 +* + + ++ VdW N VAL 113 - CG1 VAL 113 2.85 6 0.09 0.24 + +*++ + VdW CG2 VAL 113 - C VAL 113 2.90 8 0.14 0.33 + +*++ +++ VdW N TRP 118 - CE3 TRP 118 3.05 7 0.11 0.47 + * + + ++ + VdW CG2 ILE 119 - C ILE 119 2.90 6 0.12 0.31 + ++ + * + VdW O ASN 120 - C LYS 121 2.80 6 0.10 0.34 + + ++* + VdW HA ASP 123 - CD PRO 124 2.60 7 0.12 0.30 + +*+ ++ + VdW O ASP 125 - CB MET 126 2.90 6 0.09 0.33 * + +++ + VdW C LEU 138 - N LYS 140 2.95 11 0.18 0.39 + *++++ + +++ + VdW C LEU 138 - H LYS 140 2.45 13 0.35 0.70 + *++ + + ++++ +++ VdW O LEU 138 - N LYS 140 2.75 11 0.29 0.94 + +++*+ + +++ + VdW O LEU 138 - H LYS 140 1.80 7 0.16 0.67 + +++ +* + VdW C ILE 144 - N THR 146 2.95 7 0.10 0.35 * + ++ + ++ VdW O ILE 144 - C GLU 145 2.80 6 0.12 0.45 + ++ *+ + VdW O ILE 144 - N THR 146 2.75 8 0.16 0.52 * + ++ ++ ++ VdW CG2 ILE 150 - C ILE 150 2.90 20 0.30 0.33 +++++++++*++++++++++ Angle PHI HIS 18 -140.00 -116.00 13 8.93 32.11 + +* ++ ++ ++ ++++ Angle PSI HIS 18 139.00 159.00 19 22.36 43.19 +*+++++++++++++++++ Angle PHI ASN 19 -143.00 -93.00 10 10.39 37.72 + + + +*+ ++++ Angle PSI ASN 19 126.00 156.00 11 11.18 42.57 +++ + ++ *++ ++ Angle PHI VAL 20 -132.00 -112.00 15 15.13 52.10 ++*+ ++++++ +++++ Angle PSI VAL 20 124.00 144.00 15 17.37 64.23 +++ +++++++ +*++ + Angle PHI PHE 21 -129.00 -95.00 12 10.96 47.86 + +++* ++ + + + + + Angle PSI PHE 21 124.00 148.00 11 9.15 32.05 ++ ++ +* +++ + + Angle PHI VAL 22 -139.00 -103.00 13 9.05 24.62 *++++++ ++ +++ + Angle PSI VAL 22 135.00 169.00 10 7.46 28.73 + ++ +++* +++ Angle PSI SER 25 -36.00 -8.00 7 5.95 27.71 ++++ + +* Angle PSI PRO 29 -37.00 -25.00 15 20.14 72.91 +++++*+++ ++ ++++ Angle PHI ASP 30 -76.00 -56.00 11 10.37 65.28 + ++*+++ + + ++ Angle PSI ASP 30 -48.00 -28.00 16 24.61 68.14 ++ +* +++ + ++++++++ Angle PHI VAL 31 -76.00 -56.00 13 17.84 61.71 ++ *+ ++ ++ ++++ + Angle PSI VAL 31 -53.00 -31.00 9 8.39 24.80 + + + ++ +* ++ Angle PHI ILE 32 -73.00 -53.00 13 13.79 84.31 +++ + +* +++ +++ + Angle PSI ILE 32 -54.00 -34.00 8 7.83 36.69 +++ + + + *+ Angle PHI ASN 33 -74.00 -54.00 10 8.23 33.21 + + +++++*++ Angle PSI ASN 33 -52.00 -32.00 10 8.28 29.92 +* ++ + + ++ ++ Angle PHI VAL 34 -81.00 -61.00 9 5.53 16.47 ++ + + ++++* Angle PSI VAL 34 -51.00 -31.00 9 7.47 49.04 ++++ +*+ + + Angle PHI MET 35 -78.00 -58.00 12 13.17 48.02 ++* ++ + + +++ ++ Angle PSI MET 35 -35.00 -15.00 9 5.45 17.94 +*++ + + + ++ Angle PHI LEU 36 -115.00 -83.00 8 5.80 33.92 + + + + +*+ + Angle PSI LEU 36 -34.00 10.00 9 8.51 33.42 + + ++ +++ +* Angle PHI THR 39 -125.00 -97.00 10 6.78 29.26 + + +* + + ++++ Angle PSI THR 39 120.00 150.00 14 22.04 102.18 +++ + +* ++ +++ +++ Angle PSI PRO 40 116.00 150.00 19 20.51 36.49 ++++++++++*++++ ++++ Angle PSI GLU 41 100.00 140.00 11 10.04 55.71 * ++++ +++ + + + Angle PHI ILE 42 -128.00 -98.00 11 10.01 32.34 * ++++++ + + + + Angle PSI ILE 42 123.00 143.00 14 18.68 38.69 ++++++ + ++* ++ + + Angle PHI VAL 43 -130.00 -110.00 12 13.84 50.12 +++* + +++ ++++ Angle PSI VAL 43 120.00 146.00 14 22.82 85.71 ++++ ++ ++*+++ + + Angle PHI SER 44 -115.00 -77.00 13 19.11 49.73 ++++* ++++ + +++ Angle PSI SER 44 123.00 143.00 8 8.34 32.21 + ++ +* +++ Angle PHI ALA 45 -145.00 -125.00 13 12.94 42.09 ++++ ++++ +* ++ + Angle PSI ALA 45 131.00 157.00 19 22.24 67.26 +++++++++* +++++++++ Angle PHI THR 46 -134.00 -92.00 9 10.13 38.61 ++ + +*++ ++ Angle PSI THR 46 118.00 138.00 15 18.25 110.01 +++ ++++*++++ +++ Angle PHI LEU 47 -131.00 -99.00 7 9.47 68.06 + + + * ++ + Angle PSI LEU 47 94.00 144.00 13 12.86 45.64 + + ++ ++++ + +++* Angle PSI PRO 48 133.00 151.00 18 23.41 53.91 +++++++*+ +++++++++ Angle PHI PHE 50 -149.00 -103.00 8 12.64 56.72 + + + * + + + + Angle PSI PHE 50 145.00 175.00 11 10.20 31.17 ++ + + ++ ++* ++ Angle PHI GLN 51 -165.00 -141.00 12 8.31 24.04 + + ++*++ ++++ + Angle PHI ARG 52 -138.00 -98.00 18 18.36 56.36 + +++++++++*+++++++ Angle PSI ARG 52 114.00 144.00 12 8.46 25.30 ++ ++ *++ + ++++ Angle PHI PHE 53 -129.00 -87.00 8 5.73 28.65 ++* + ++ + + Angle PSI PHE 53 111.00 141.00 16 9.77 27.24 ++*++++++ ++ +++ ++ Angle PHI CYS 62 -151.00 -119.00 10 7.26 27.63 +++* + ++ ++ + Angle PSI CYS 62 148.00 170.00 15 14.86 55.26 ++ +++ ++++++*+++ Angle PHI ILE 63 -151.00 -129.00 17 19.64 47.76 + + ++++ +*+++++++++ Angle PSI ILE 63 146.00 170.00 10 7.79 35.55 * ++++ ++ ++ + Angle PHI VAL 64 -148.00 -124.00 12 8.23 23.30 ++ + ++++++++ * Angle PSI VAL 64 143.00 169.00 7 5.01 24.58 + ++ +++ * Angle PHI GLU 67 -73.00 -53.00 12 11.78 44.49 + +++*+ ++ ++ ++ Angle PSI GLU 67 -36.00 -14.00 12 12.58 42.31 +++ +++ +++++* Angle PHI LYS 68 -104.00 -84.00 13 11.36 35.26 +++ + +++ +*++++ Angle PSI LYS 68 -4.00 20.00 13 10.22 28.29 +*++ +++++ + + + + Angle PHI VAL 71 -144.00 -114.00 12 9.80 35.12 ++ + + ++++* ++ + Angle PSI VAL 71 120.00 142.00 16 20.04 60.68 + ++++ +++++++++* + Angle PHI HIS 72 -126.00 -76.00 10 14.13 110.14 +* +++ ++++ + Angle PSI HIS 72 117.00 165.00 12 16.48 70.01 +++ +* + + +++++ Angle PHI LYS 74 -145.00 -123.00 17 19.88 55.93 +++*+++++ + +++++ ++ Angle PSI LYS 74 142.00 168.00 15 45.74 140.40 +++ ++++++ + ++++ * Angle PHI VAL 75 -136.00 -112.00 13 15.29 54.33 +++++ ++ + + *+++ Angle PSI VAL 75 117.00 149.00 15 16.59 42.90 ++++ +++ +++ + ++* + Angle PHI LEU 76 -116.00 -96.00 16 19.61 65.45 ++++++++ + ++*++ ++ Angle PSI LEU 76 104.00 128.00 11 12.92 46.45 ++++ + + +++ *+ Angle PSI MET 77 120.00 178.00 17 26.37 67.06 ++++ +++++++++++*+ Angle PHI THR 80 -117.00 -71.00 10 6.78 37.37 + + + ++ *+ +++ Angle PSI THR 80 159.00 179.00 14 23.57 111.38 ++ ++ ++ ++ + +++*+ Angle PHI SER 81 -70.00 -50.00 6 8.74 64.30 + ++ +*+ Angle PSI SER 81 -48.00 -28.00 14 12.52 32.38 ++++ +++ +++ +++* Angle PHI ASP 82 -77.00 -57.00 9 10.72 31.21 ++ ++* + + ++ Angle PSI ASP 82 -52.00 -32.00 16 20.60 58.76 ++++++* + +++ ++ +++ Angle PHI GLU 83 -78.00 -58.00 16 16.74 57.54 +++++ + ++++*++ +++ Angle PSI GLU 83 -49.00 -29.00 8 7.27 32.16 + *++ + + ++ Angle PSI LEU 84 -51.00 -31.00 12 9.84 33.83 + ++++ ++ +++*+ Angle PHI GLU 85 -74.00 -54.00 12 10.76 73.20 * + ++ ++++ ++++ Angle PSI GLU 85 -50.00 -30.00 13 10.81 45.15 +++ ++ + ++++++* Angle PHI ASN 86 -75.00 -55.00 12 12.86 56.24 +*+++ ++ + +++ + Angle PSI ASN 86 -49.00 -29.00 14 21.30 62.68 +++ ++++ ++++ *++ Angle PHI LEU 87 -71.00 -51.00 12 16.21 66.16 ++ +++++ ++* + + Angle PSI LEU 87 -52.00 -32.00 11 9.23 47.44 + +++ + * + +++ + Angle PHI ASP 88 -73.00 -53.00 12 10.35 33.95 +*+ + +++ + ++ ++ Angle PSI ASP 88 -48.00 -28.00 9 9.35 47.79 + * + ++ + + + + Angle PHI ALA 89 -77.00 -57.00 10 8.56 40.41 ++*++ + + ++ + Angle PSI ALA 89 -47.00 -27.00 13 16.97 53.89 ++ ++*+ ++++++ + Angle PHI VAL 90 -71.00 -51.00 15 16.86 49.92 ++ ++*+ +++++ +++ + Angle PSI VAL 90 -57.00 -37.00 14 18.62 83.46 ++ +*+ ++ +++++++ Angle PHI GLU 91 -77.00 -57.00 17 20.93 60.86 ++++ ++++ +++++ +*++ Angle PSI GLU 91 -44.00 -22.00 12 7.24 28.30 +++ + + *+ ++ ++ + Angle PHI TYR 95 -144.00 -114.00 15 10.83 33.11 ++++ +++ * ++++ +++ Angle PSI TYR 95 142.00 162.00 14 17.80 63.06 ++ +++ +*+++++ ++ Angle PHI GLU 96 -157.00 -125.00 12 13.53 50.53 * + + + ++ +++++ + Angle PSI GLU 96 129.00 163.00 10 12.64 42.14 ++ ++ * +++++ Angle PHI ARG 97 -112.00 -88.00 17 23.14 57.48 ++++ ++++++++* ++++ Angle PSI ARG 97 115.00 135.00 14 16.22 40.33 + + ++++ + ++++ ++* Angle PHI VAL 98 -133.00 -111.00 16 17.06 41.00 ++++++*+++ +++ ++ + Angle PSI VAL 98 130.00 160.00 15 14.47 40.45 +++ +++ + ++ ++*+++ Angle PHI THR 99 -111.00 -87.00 16 21.33 57.58 +++ +++*+++ ++ +++ + Angle PSI THR 99 123.00 143.00 8 14.37 62.67 + +* ++ + ++ Angle PHI VAL 100 -145.00 -125.00 15 11.58 32.88 +++ +++ *++++++ ++ Angle PSI VAL 100 151.00 171.00 16 16.45 50.87 + +++*+ ++++++++++ Angle PHI ILE 102 -142.00 -112.00 10 6.95 32.91 ++ ++*++ + + + Angle PSI ILE 102 141.00 165.00 11 10.69 56.83 + +++ + + * ++++ Angle PHI VAL 103 -130.00 -84.00 15 19.66 50.48 + + ++ +++*+++++ ++ Angle PSI VAL 103 108.00 152.00 13 9.89 44.92 + *+ ++ +++ + ++++ Angle PSI GLU 105 -55.00 -35.00 13 9.66 23.04 +++++++ * ++ ++ + Angle PHI ASP 106 -81.00 -55.00 13 14.60 69.63 ++ ++ *++ +++ + ++ Angle PHI SER 108 -88.00 -50.00 10 6.65 39.72 +* ++ +++ +++ Angle PSI SER 108 -45.00 9.00 7 4.95 29.82 ++ + * + + + Angle PHI LYS 110 -109.00 -67.00 14 8.32 20.83 ++++ ++ *+++++ + + Angle PSI LYS 110 125.00 147.00 14 20.37 62.06 +++++ ++++ ++* ++ Angle PHI MET 111 -157.00 -93.00 9 10.87 42.60 + +++ ++ *++ Angle PSI MET 111 134.00 160.00 11 11.81 40.05 + + ++++++++ * Angle PHI ALA 112 -119.00 -87.00 8 6.54 20.33 ++ + * + ++ + Angle PSI ALA 112 118.00 144.00 17 21.56 50.17 ++ + *+++++++ ++++++ Angle PHI VAL 113 -146.00 -126.00 15 14.57 42.58 + ++++++++++ +* + + Angle PSI VAL 113 147.00 173.00 12 8.65 23.05 + ++ + + ++ +++* + Angle PHI LYS 114 -141.00 -95.00 15 12.46 40.99 +++++++++++++ +* Angle PSI LYS 114 134.00 164.00 13 13.77 50.78 + + + ++* ++ ++ +++ Angle PHI THR 115 -156.00 -112.00 17 13.60 32.30 ++ ++ +++++++*+++++ Angle PSI THR 115 123.00 171.00 15 20.78 75.64 ++*++ + ++ +++++++ Angle PHI TYR 116 -125.00 -97.00 15 15.48 39.92 + +++++* +++++ +++ Angle PSI TYR 116 109.00 139.00 10 15.13 66.45 + +++ + + + ++ * Angle PHI MET 117 -141.00 -103.00 12 12.83 43.64 +++ *+ +++ ++ ++ Angle PSI MET 117 113.00 151.00 17 26.91 81.29 ++++ ++++++++ ++*++ Angle PHI TRP 118 -103.00 -65.00 13 23.89 85.64 +* +++++ +++ + ++ Angle PSI TRP 118 113.00 153.00 15 20.19 100.79 ++ +++++ ++*+++++ Angle PHI ILE 119 -78.00 -50.00 15 14.08 40.72 ++* ++++ +++ +++++ Angle PSI ILE 119 -43.00 -21.00 11 8.81 24.92 ++ ++ ++ +* ++ + Angle PHI ASN 120 -107.00 -79.00 11 8.49 42.16 ++ ++ + ++ + + +* Angle PSI ASN 120 -9.00 11.00 7 6.70 55.59 ++ + ++ + * Angle PSI GLU 133 -49.00 -29.00 9 6.28 24.33 + * + ++ ++++ Angle PSI GLU 134 -50.00 -30.00 17 13.23 41.27 ++++ +++++++*+++++ Angle PHI TRP 135 -74.00 -54.00 10 7.90 29.96 ++ ++ + + + *++ Angle PSI TRP 135 -52.00 -32.00 13 12.33 42.49 + +++ +++ *++++ + Angle PHI LYS 136 -72.00 -52.00 17 10.70 44.19 ++++++++ +++*++ +++ Angle PSI LYS 136 -49.00 -29.00 7 4.81 49.84 + + + ++ +* Angle PHI ARG 137 -74.00 -54.00 8 6.83 49.90 + + ++++ +* Angle PSI ARG 137 -51.00 -31.00 9 5.56 22.78 +++ + +++ +* Angle PHI LEU 138 -91.00 -71.00 12 8.60 29.61 +++ + + ++ ++ +*+ Angle PSI LEU 138 -45.00 -15.00 17 28.71 52.00 + ++++*++++++++++ + Angle PHI HIS 139 -115.00 -77.00 16 20.96 59.86 + +++*+++++ ++++++ Angle PSI HIS 139 -37.00 5.00 17 18.84 52.30 ++++++*++++ ++++ + + Angle PHI LYS 140 -70.00 -50.00 9 8.53 42.83 ++ + ++* ++ + Angle PSI LYS 140 -53.00 -33.00 14 12.24 46.02 ++ ++ ++++* + ++ + + Angle PHI LYS 141 -75.00 -55.00 13 10.74 26.95 *++++++ ++++ + + Angle PSI LYS 141 -50.00 -30.00 14 14.59 65.54 * ++++ +++++ ++ ++ Angle PHI LYS 142 -75.00 -55.00 14 13.93 47.51 + +++ + +++++ * +++ Angle PSI LYS 142 -49.00 -29.00 14 11.63 31.67 +++ + ++++ + +*+ ++ Angle PHI PHE 143 -76.00 -56.00 13 12.76 38.64 +++ ++++ + ++++* Angle PSI PHE 143 -53.00 -33.00 14 23.35 83.93 + ++++++*+ +++ + + Angle PHI ILE 144 -73.00 -53.00 13 21.06 77.70 ++ *++ ++++ ++ + + Angle PSI ILE 144 -54.00 -34.00 14 27.34 84.59 + *+ ++++ +++++ ++ Angle PHI GLU 145 -72.00 -52.00 15 23.99 111.01 ++ ++++ ++++++++* Angle PSI GLU 145 -51.00 -31.00 7 5.47 31.66 +++* + + + Angle PHI THR 146 -81.00 -61.00 13 17.61 74.38 ++ *+++ + ++++++ Angle PHI PHE 147 -76.00 -56.00 11 9.69 29.06 ++ + + +*+++ ++ Angle PSI PHE 147 -51.00 -31.00 10 7.22 30.92 * + + +++ ++ + + Angle PHI LYS 148 -74.00 -54.00 8 4.81 18.62 ++ ++ * + ++ Angle PSI LYS 148 -49.00 -29.00 13 6.82 13.19 + + + *++++ +++++ Angle PHI LYS 149 -74.00 -54.00 8 5.25 21.03 + + +++ + * + Angle PHI GLU 152 -76.00 -56.00 7 4.90 16.44 + + + ++ + * Angle PSI GLU 152 -51.00 -31.00 12 5.91 14.48 + * +++ ++++ +++ Angle PHI CYS 153 -71.00 -51.00 11 7.85 21.82 + + ++ *+++ + ++ Angle PSI CYS 153 -52.00 -32.00 11 8.26 23.13 + + ++ +++* + ++ 18 violated distance constraints. 170 violated angle constraints. RMSDs for residues 18..164: Average backbone RMSD to mean : 10.29 +/- 1.16 A (8.26..12.11 A) Average heavy atom RMSD to mean : 10.76 +/- 1.13 A (8.86..12.87 A)