#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rho s ALA 60 N 0.00 2.46 -0.18 3.52 0.00 -1.26 -3.40 121.76 122.90 1rho s ALA 60 Ca 0.00 1.08 -0.15 0.00 0.00 0.00 0.00 51.96 52.89 1rho s ALA 60 Cb 0.00 -3.49 -0.07 0.00 0.00 0.00 0.00 23.12 19.56 1rho s ALA 60 CO 0.00 -1.37 -0.31 0.28 0.00 0.00 0.00 175.76 174.36 1rho n VAL 61 N -1.78 1.44 -4.98 0.00 0.31 -0.50 -4.94 118.33 107.88 1rho n VAL 61 Ca 0.14 0.02 -0.30 0.00 -0.01 0.00 0.00 64.34 64.19 1rho n VAL 61 Cb 0.49 -2.14 -0.15 0.00 -0.91 0.00 0.00 33.84 31.14 1rho n VAL 61 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1rho s SER 62 N -6.31 3.00 0.00 4.52 0.15 -1.24 -5.00 113.70 108.81 1rho s SER 62 Ca -0.28 -0.54 0.23 0.00 0.70 0.00 0.00 55.95 56.06 1rho s SER 62 Cb 0.06 -0.29 0.47 0.00 -1.71 0.00 0.00 66.02 64.55 1rho s SER 62 CO 0.40 0.26 1.42 0.00 1.20 0.00 0.00 173.24 176.52 1rho n ALA 63 N 2.01 2.45 -2.55 5.45 0.00 -1.26 -4.61 120.51 122.00 1rho n ALA 63 Ca -0.17 -0.85 -0.43 0.00 0.00 0.00 0.00 53.44 51.99 1rho n ALA 63 Cb 0.52 -0.91 -0.06 0.00 0.00 0.00 0.00 19.45 18.99 1rho n ALA 63 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1rho s ASP 64 N -1.59 6.34 0.00 0.00 2.15 -1.26 -4.96 116.67 117.36 1rho s ASP 64 Ca 0.36 -0.31 0.12 0.00 0.43 0.00 0.00 52.55 53.14 1rho s ASP 64 Cb 0.21 -2.34 0.69 0.00 -0.30 0.00 0.00 42.92 41.18 1rho s ASP 64 CO 0.31 -0.85 1.13 -0.81 -0.17 0.00 0.00 175.17 174.78 1rho n PRO 65 N 6.45 0.50 0.06 4.34 -0.04 -1.26 -2.37 135.00 142.68 1rho n PRO 65 Ca -0.01 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.42 1rho n PRO 65 Cb 0.48 -1.36 -0.08 0.00 -0.04 0.00 0.00 33.50 32.50 1rho n PRO 65 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1rho h ASN 66 N 0.00 0.00 -2.93 3.54 4.21 -2.00 -3.45 115.58 114.95 1rho h ASN 66 Ca 0.00 0.00 -0.55 0.00 1.21 0.00 0.00 56.30 56.96 1rho h ASN 66 Cb 0.00 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.18 1rho h ASN 66 CO 0.00 0.82 0.84 -0.69 -1.29 0.00 0.00 177.43 177.10 1rho s VAL 67 N -2.78 4.05 0.19 2.81 1.01 -1.00 -4.95 120.40 119.72 1rho s VAL 67 Ca 0.00 1.35 -0.33 0.00 0.00 0.00 0.00 61.98 63.01 1rho s VAL 67 Cb 0.09 -3.87 -0.14 0.00 0.00 0.00 0.00 36.38 32.46 1rho s VAL 67 CO 0.80 -0.05 1.41 -0.81 0.00 0.00 0.00 175.10 176.45 1rho n PRO 68 N 5.88 1.85 -0.25 2.72 -0.04 -1.26 -4.87 135.00 139.02 1rho n PRO 68 Ca 0.13 0.66 -0.07 0.00 -0.04 0.00 0.00 63.50 64.18 1rho n PRO 68 Cb 0.45 -2.32 0.05 0.00 -0.04 0.00 0.00 33.50 31.63 1rho n PRO 68 CO 0.00 0.00 0.00 -0.97 -0.04 0.00 0.00 175.50 174.49 1rho h ASN 69 N 4.56 1.09 -3.64 3.54 -0.00 -1.92 -3.42 115.58 115.78 1rho h ASN 69 Ca -0.45 -0.24 -0.67 0.00 -0.00 0.00 0.00 56.30 54.93 1rho h ASN 69 Cb 1.29 -0.29 -0.32 0.00 -0.00 0.00 0.00 38.32 39.00 1rho h ASN 69 CO 0.78 1.05 -0.88 -0.69 -0.00 0.00 0.00 177.43 177.70 1rho s VAL 70 N -5.28 2.00 -0.26 2.57 1.01 -1.26 0.17 120.40 119.36 1rho s VAL 70 Ca -0.12 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 60.85 1rho s VAL 70 Cb 0.15 -1.72 0.07 0.00 0.00 0.00 0.00 36.38 34.88 1rho s VAL 70 CO 0.85 0.55 0.01 -0.69 0.00 0.00 0.00 175.10 175.82 1rho s VAL 71 N 0.13 1.30 -0.44 2.92 1.01 -0.31 -4.98 120.40 120.03 1rho s VAL 71 Ca -0.12 -1.28 -0.28 0.00 0.00 0.00 0.00 61.98 60.30 1rho s VAL 71 Cb -0.16 -1.74 0.03 0.00 0.00 0.00 0.00 36.38 34.50 1rho s VAL 71 CO 0.06 -0.31 1.07 -0.69 0.00 0.00 0.00 175.10 175.24 1rho s VAL 72 N 1.47 4.33 -0.11 2.92 1.01 -1.26 -0.28 120.40 128.48 1rho s VAL 72 Ca 0.00 1.23 0.16 0.00 0.00 0.00 0.00 61.98 63.38 1rho s VAL 72 Cb -0.18 -4.52 -0.15 0.00 0.00 0.00 0.00 36.38 31.53 1rho s VAL 72 CO -0.11 -0.85 0.80 0.35 0.00 0.00 0.00 175.10 175.29 1rho n THR 73 N 6.53 1.24 -3.59 3.92 -2.24 0.54 -4.43 114.28 116.25 1rho n THR 73 Ca 0.11 -0.70 -0.05 0.00 -2.27 0.00 0.00 64.05 61.13 1rho n THR 73 Cb 0.48 -0.78 -0.02 0.00 -2.10 0.00 0.00 70.33 67.92 1rho n THR 73 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1rho s GLY 74 N -4.83 -0.36 -0.10 3.38 0.00 -0.87 -2.08 107.32 102.46 1rho s GLY 74 Ca -0.03 1.05 0.02 0.00 0.00 0.00 0.00 44.72 45.77 1rho s GLY 74 CO 0.81 0.33 -0.17 -2.27 0.00 0.00 0.00 173.10 171.80 1rho s LEU 75 N -2.51 1.81 -0.01 0.66 0.20 -1.05 -1.22 118.68 116.56 1rho s LEU 75 Ca 0.09 -0.44 0.04 0.00 0.69 0.00 0.00 54.13 54.51 1rho s LEU 75 Cb -0.00 -1.12 -0.01 0.00 -0.43 0.00 0.00 46.19 44.63 1rho s LEU 75 CO -0.05 0.06 -0.13 -0.89 -0.29 0.00 0.00 176.35 175.05 1rho s THR 76 N 0.74 1.03 -0.46 3.68 2.01 0.41 -0.45 115.64 122.60 1rho s THR 76 Ca -0.12 -0.55 -0.17 0.00 0.31 0.00 0.00 61.69 61.16 1rho s THR 76 Cb -0.16 -0.86 0.05 0.00 0.01 0.00 0.00 72.50 71.54 1rho s THR 76 CO 0.02 0.29 0.46 -0.76 -0.69 0.00 0.00 174.62 173.95 1rho s LEU 77 N -0.27 5.20 -0.78 4.42 1.02 -0.05 -0.27 118.68 127.95 1rho s LEU 77 Ca 0.04 -1.01 -0.26 0.00 0.02 0.00 0.00 54.13 52.93 1rho s LEU 77 Cb -0.05 -2.31 0.03 0.00 0.02 0.00 0.00 46.19 43.87 1rho s LEU 77 CO -0.00 -0.69 1.38 -0.69 0.02 0.00 0.00 176.35 176.38 1rho s VAL 78 N 2.06 3.71 -0.17 -1.59 1.01 -0.12 -4.68 120.40 120.61 1rho s VAL 78 Ca 0.09 0.18 -0.02 0.00 0.00 0.00 0.00 61.98 62.23 1rho s VAL 78 Cb -0.21 -4.82 0.05 0.00 0.00 0.00 0.00 36.38 31.41 1rho s VAL 78 CO 0.10 -1.75 0.02 0.00 0.00 0.00 0.00 175.10 173.47 1rho h SER 80 N 8.23 0.81 0.56 0.00 0.02 -1.93 -3.02 113.55 118.23 1rho h SER 80 Ca -0.18 0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 60.71 1rho h SER 80 Cb 1.12 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.49 1rho h SER 80 CO 0.33 0.54 -0.38 0.28 -1.14 0.00 0.00 176.83 176.46 1rho h SER 81 N 0.95 0.00 -2.36 3.07 0.02 -1.96 -3.46 113.55 109.81 1rho h SER 81 Ca 0.35 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.72 1rho h SER 81 Cb 0.11 0.00 0.06 0.00 0.14 0.00 0.00 62.40 62.71 1rho h SER 81 CO -0.15 0.38 0.82 0.00 -1.14 0.00 0.00 176.83 176.74 1rho n ALA 82 N -2.38 1.57 1.71 3.77 0.00 -1.14 -4.93 120.51 119.11 1rho n ALA 82 Ca -0.01 0.44 0.15 0.00 0.00 0.00 0.00 53.44 54.02 1rho n ALA 82 Cb 0.45 -2.37 0.76 0.00 0.00 0.00 0.00 19.45 18.28 1rho n ALA 82 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1rho n PRO 83 N 3.41 1.07 -1.87 0.00 -0.05 -1.26 -4.91 135.00 131.37 1rho n PRO 83 Ca 0.16 -0.29 -0.02 0.00 -0.05 0.00 0.00 63.50 63.30 1rho n PRO 83 Cb 0.30 -1.49 -0.00 0.00 -0.05 0.00 0.00 33.50 32.25 1rho n PRO 83 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 1rho n GLY 84 N 1.12 2.74 3.81 0.55 0.00 -1.26 -5.16 105.19 106.99 1rho n GLY 84 Ca 0.20 -1.34 -0.33 0.00 0.00 0.00 0.00 46.02 44.54 1rho n GLY 84 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1rho s PRO 85 N -2.11 3.91 -0.38 1.61 0.04 -1.26 -4.99 135.00 131.81 1rho s PRO 85 Ca 0.04 1.23 0.12 0.00 0.04 0.00 0.00 61.00 62.43 1rho s PRO 85 Cb -0.00 -2.12 0.36 0.00 0.04 0.00 0.00 34.50 32.78 1rho s PRO 85 CO 0.03 -0.32 0.78 1.28 0.04 0.00 0.00 177.00 178.81 1rho n LEU 86 N -1.01 1.26 -4.18 -3.56 4.32 -1.26 -5.06 117.00 107.52 1rho n LEU 86 Ca 0.08 -4.95 -0.26 0.00 -0.02 0.00 0.00 56.01 50.87 1rho n LEU 86 Cb 0.53 0.56 -0.16 0.00 -1.62 0.00 0.00 43.42 42.74 1rho n LEU 86 CO 0.40 2.22 -0.51 -0.70 -1.22 0.00 0.00 177.39 177.58 1rho s GLU 87 N -2.60 1.59 -0.07 3.23 2.12 -1.26 -0.87 118.70 120.82 1rho s GLU 87 Ca 0.40 -0.66 0.02 0.00 0.36 0.00 0.00 54.97 55.08 1rho s GLU 87 Cb 0.35 -1.50 -0.02 0.00 0.26 0.00 0.00 34.13 33.22 1rho s GLU 87 CO -0.07 0.37 -0.12 -0.51 -0.54 0.00 0.00 175.26 174.38 1rho s LEU 88 N -0.35 2.82 -0.61 2.70 1.43 0.40 -5.00 118.68 120.07 1rho s LEU 88 Ca 0.05 -0.19 -0.16 0.00 -1.03 0.00 0.00 54.13 52.80 1rho s LEU 88 Cb -0.08 -1.60 0.15 0.00 0.03 0.00 0.00 46.19 44.69 1rho s LEU 88 CO -0.00 0.31 0.59 -0.62 0.23 0.00 0.00 176.35 176.85 1rho s ASP 89 N -0.48 6.32 0.00 2.29 -1.08 -1.26 -2.52 116.67 119.93 1rho s ASP 89 Ca 0.06 -1.95 0.24 0.00 -0.52 0.00 0.00 52.55 50.38 1rho s ASP 89 Cb -0.12 -2.22 1.44 0.00 -1.46 0.00 0.00 42.92 40.56 1rho s ASP 89 CO 0.02 -0.83 1.81 0.18 0.52 0.00 0.00 175.17 176.87 1rho n LEU 90 N 5.10 0.00 0.02 -1.34 4.77 -0.88 -1.92 117.00 122.75 1rho n LEU 90 Ca -0.07 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.03 1rho n LEU 90 Cb 0.42 0.00 0.17 0.00 -2.33 0.00 0.00 43.42 41.68 1rho n LEU 90 CO 0.50 0.00 0.32 0.35 -1.33 0.00 0.00 177.39 177.23 1rho n THR 91 N -0.99 0.15 -0.90 -5.08 -2.24 -1.25 -4.84 114.28 99.13 1rho n THR 91 Ca 0.18 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 1rho n THR 91 Cb 0.08 0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.45 1rho n THR 91 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rho n GLY 92 N 1.42 0.93 3.57 3.38 0.00 -0.81 -5.00 105.19 108.69 1rho n GLY 92 Ca 0.04 -1.80 -0.41 0.00 0.00 0.00 0.00 46.02 43.85 1rho n GLY 92 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1rho s ASP 93 N -1.00 5.93 0.54 1.61 -1.08 -1.26 -4.90 116.67 116.51 1rho s ASP 93 Ca 0.00 0.43 0.26 0.00 -0.52 0.00 0.00 52.55 52.72 1rho s ASP 93 Cb 0.00 -2.54 1.53 0.00 -1.46 0.00 0.00 42.92 40.45 1rho s ASP 93 CO 0.00 -1.84 2.14 -0.07 0.52 0.00 0.00 175.17 175.92 1rho h LEU 94 N 13.83 0.00 -0.25 -1.34 4.07 -1.92 -2.70 115.31 127.00 1rho h LEU 94 Ca -0.28 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 57.62 1rho h LEU 94 Cb 1.12 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.85 1rho h LEU 94 CO 1.17 0.08 -0.33 -0.33 -1.08 0.00 0.00 178.44 177.95 1rho h GLU 95 N 0.00 0.00 0.00 1.13 4.39 -1.92 -3.27 114.58 114.90 1rho h GLU 95 Ca -0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 1rho h GLU 95 Cb 0.19 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.84 1rho h GLU 95 CO 0.01 0.33 -0.09 0.77 -1.16 0.00 0.00 179.01 178.86 1rho h SER 96 N 0.00 0.00 0.66 1.42 0.02 -1.87 -2.97 113.55 110.81 1rho h SER 96 Ca -0.00 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.83 1rho h SER 96 Cb 1.16 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.68 1rho h SER 96 CO 0.04 0.09 -0.54 -0.26 -1.14 0.00 0.00 176.83 175.03 1rho h PHE 97 N 0.00 0.00 0.00 3.45 0.04 -1.72 -3.03 116.94 115.68 1rho h PHE 97 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1rho h PHE 97 Cb 0.52 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.67 1rho h PHE 97 CO 0.00 0.54 0.00 1.63 -0.60 0.00 0.00 178.31 179.88 1rho n LYS 98 N -3.75 0.13 0.00 1.51 5.02 -1.12 -1.28 118.16 118.66 1rho n LYS 98 Ca -0.01 0.51 0.04 0.00 -2.02 0.00 0.00 58.31 56.83 1rho n LYS 98 Cb 0.57 -1.83 -0.00 0.00 -0.02 0.00 0.00 35.03 33.75 1rho n LYS 98 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1rho n LYS 99 N -2.08 2.34 -3.24 1.97 5.02 -1.15 -4.96 118.16 116.05 1rho n LYS 99 Ca 0.00 -0.50 -0.20 0.00 -2.02 0.00 0.00 58.31 55.59 1rho n LYS 99 Cb 0.11 -1.01 0.03 0.00 -0.02 0.00 0.00 35.03 34.14 1rho n LYS 99 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1rho s GLN 100 N -1.20 2.42 0.09 1.97 -0.21 -0.41 -5.15 119.66 117.17 1rho s GLN 100 Ca 0.06 -1.63 -0.24 0.00 0.02 0.00 0.00 55.36 53.57 1rho s GLN 100 Cb 0.06 -2.54 0.06 0.00 1.00 0.00 0.00 33.01 31.60 1rho s GLN 100 CO 0.20 -0.64 0.59 0.45 -2.12 0.00 0.00 175.29 173.77 1rho s SER 101 N -4.48 -0.54 -0.23 5.90 0.15 -1.26 -4.29 113.70 108.95 1rho s SER 101 Ca 0.54 0.17 -0.01 0.00 0.70 0.00 0.00 55.95 57.35 1rho s SER 101 Cb -0.06 0.55 0.02 0.00 -1.71 0.00 0.00 66.02 64.83 1rho s SER 101 CO 0.33 -0.83 -0.09 -0.36 1.20 0.00 0.00 173.24 173.50 1rho s PHE 102 N -2.90 2.98 -0.02 3.44 0.08 -0.28 -4.98 117.98 116.29 1rho s PHE 102 Ca -0.03 -1.44 -0.22 0.00 0.12 0.00 0.00 56.93 55.37 1rho s PHE 102 Cb -0.01 -2.04 -0.05 0.00 -0.57 0.00 0.00 43.02 40.36 1rho s PHE 102 CO -0.05 -0.71 0.63 0.08 -0.10 0.00 0.00 175.22 175.07 1rho s VAL 103 N 1.35 4.94 -0.01 -0.44 1.01 -1.26 -0.91 120.40 125.08 1rho s VAL 103 Ca 0.02 1.31 0.02 0.00 0.00 0.00 0.00 61.98 63.34 1rho s VAL 103 Cb -0.15 -3.97 -0.00 0.00 0.00 0.00 0.00 36.38 32.25 1rho s VAL 103 CO -0.06 0.36 -0.07 -0.22 0.00 0.00 0.00 175.10 175.11 1rho s LEU 104 N 0.13 1.94 0.48 3.92 2.96 -0.57 -4.96 118.68 122.58 1rho s LEU 104 Ca 0.33 -0.13 -0.20 0.00 -0.22 0.00 0.00 54.13 53.90 1rho s LEU 104 Cb -0.18 -0.38 -0.09 0.00 0.50 0.00 0.00 46.19 46.04 1rho s LEU 104 CO 0.17 0.08 1.03 -0.75 -1.32 0.00 0.00 176.35 175.56 1rho s LYS 105 N -0.06 3.86 0.33 1.98 2.20 -1.26 -1.64 119.74 125.15 1rho s LYS 105 Ca 0.01 1.35 -0.29 0.00 -0.36 0.00 0.00 55.97 56.68 1rho s LYS 105 Cb -0.04 -2.12 -0.11 0.00 -1.51 0.00 0.00 37.83 34.05 1rho s LYS 105 CO -0.00 -0.38 1.52 -1.83 -0.36 0.00 0.00 175.35 174.29 1rho s GLU 106 N -3.19 4.14 0.00 4.03 -1.05 -0.36 -3.06 118.70 119.20 1rho s GLU 106 Ca 0.66 2.54 0.00 0.00 -0.15 0.00 0.00 54.97 58.02 1rho s GLU 106 Cb -0.16 -3.00 0.00 0.00 -0.44 0.00 0.00 34.13 30.53 1rho s GLU 106 CO 0.20 -0.55 0.00 0.41 0.95 0.00 0.00 175.26 176.27 1rho n GLY 107 N 1.24 2.55 3.58 -3.83 0.00 -0.79 -4.91 105.19 103.04 1rho n GLY 107 Ca 0.04 -0.03 -0.44 0.00 0.00 0.00 0.00 46.02 45.60 1rho n GLY 107 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1rho n VAL 108 N 0.00 2.05 -2.94 1.61 0.24 -1.17 -3.78 118.33 114.34 1rho n VAL 108 Ca 0.00 -0.50 -0.38 0.00 -2.04 0.00 0.00 64.34 61.42 1rho n VAL 108 Cb 0.00 -0.98 -0.06 0.00 -1.47 0.00 0.00 33.84 31.32 1rho n VAL 108 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1rho s GLU 109 N -1.63 4.55 0.08 7.34 2.02 -1.26 -0.58 118.70 129.22 1rho s GLU 109 Ca 0.60 1.17 -0.26 0.00 0.02 0.00 0.00 54.97 56.50 1rho s GLU 109 Cb -0.67 -3.12 0.08 0.00 0.10 0.00 0.00 34.13 30.53 1rho s GLU 109 CO 0.59 0.48 0.74 1.52 0.02 0.00 0.00 175.26 178.62 1rho s TYR 110 N -1.30 -0.44 0.34 1.61 1.13 -0.52 -4.55 117.35 113.62 1rho s TYR 110 Ca 0.40 0.26 0.10 0.00 -1.41 0.00 0.00 57.07 56.41 1rho s TYR 110 Cb -0.21 0.55 -0.06 0.00 -1.10 0.00 0.00 41.96 41.14 1rho s TYR 110 CO 0.26 -0.71 -0.08 1.03 -2.51 0.00 0.00 175.55 173.53 1rho s ARG 111 N -3.45 1.86 -0.22 -3.49 0.52 -0.62 -1.05 118.95 112.49 1rho s ARG 111 Ca 0.03 -1.89 -0.03 0.00 -0.52 0.00 0.00 55.73 53.32 1rho s ARG 111 Cb -0.01 -1.75 0.00 0.00 0.52 0.00 0.00 34.95 33.71 1rho s ARG 111 CO -0.11 0.15 -0.06 0.42 0.02 0.00 0.00 175.30 175.73 1rho s ILE 112 N -2.59 3.16 -0.31 1.52 1.01 -1.26 -0.95 121.20 121.78 1rho s ILE 112 Ca 0.33 -0.63 -0.11 0.00 0.00 0.00 0.00 60.65 60.25 1rho s ILE 112 Cb 0.02 -2.45 -0.02 0.00 0.01 0.00 0.00 42.46 40.02 1rho s ILE 112 CO 0.17 0.40 0.18 -0.75 0.00 0.00 0.00 174.94 174.94 1rho s LYS 113 N 1.44 3.46 -0.31 2.79 2.20 0.63 -1.73 119.74 128.23 1rho s LYS 113 Ca 0.05 -0.64 -0.08 0.00 -0.36 0.00 0.00 55.97 54.94 1rho s LYS 113 Cb -0.14 -3.63 0.01 0.00 -1.51 0.00 0.00 37.83 32.55 1rho s LYS 113 CO -0.05 -0.39 0.10 0.42 -0.36 0.00 0.00 175.35 175.08 1rho s ILE 114 N 1.66 4.11 -0.21 5.43 -1.09 0.07 -0.44 121.20 130.73 1rho s ILE 114 Ca 0.05 -0.68 -0.17 0.00 -2.23 0.00 0.00 60.65 57.62 1rho s ILE 114 Cb -0.17 -3.14 -0.04 0.00 -1.58 0.00 0.00 42.46 37.54 1rho s ILE 114 CO 0.08 0.04 0.44 -0.44 -1.23 0.00 0.00 174.94 173.83 1rho s SER 115 N 1.52 6.47 0.03 3.58 0.01 -0.35 -0.76 113.70 124.20 1rho s SER 115 Ca 0.03 0.56 -0.04 0.00 1.31 0.00 0.00 55.95 57.80 1rho s SER 115 Cb -0.17 -2.25 -0.01 0.00 0.21 0.00 0.00 66.02 63.79 1rho s SER 115 CO 0.03 -0.12 0.07 0.72 0.41 0.00 0.00 173.24 174.35 1rho s PHE 116 N 1.49 0.22 -0.11 2.43 -0.71 -0.35 -0.34 117.98 120.61 1rho s PHE 116 Ca 0.21 -0.52 0.03 0.00 -1.04 0.00 0.00 56.93 55.60 1rho s PHE 116 Cb -0.15 -0.16 -0.01 0.00 -1.21 0.00 0.00 43.02 41.49 1rho s PHE 116 CO 0.09 -0.33 -0.20 0.50 -1.34 0.00 0.00 175.22 173.94 1rho s ARG 117 N -2.42 3.15 -0.28 1.99 3.52 0.62 -0.16 118.95 125.36 1rho s ARG 117 Ca -0.07 -0.81 -0.06 0.00 -0.13 0.00 0.00 55.73 54.67 1rho s ARG 117 Cb -0.02 -2.42 0.01 0.00 -1.56 0.00 0.00 34.95 30.96 1rho s ARG 117 CO -0.04 0.21 0.06 0.08 -0.81 0.00 0.00 175.30 174.79 1rho s VAL 118 N 0.31 3.83 -0.20 7.11 1.01 -1.26 -1.16 120.40 130.04 1rho s VAL 118 Ca -0.15 -0.67 -0.11 0.00 0.00 0.00 0.00 61.98 61.04 1rho s VAL 118 Cb -0.17 -2.94 -0.20 0.00 0.00 0.00 0.00 36.38 33.06 1rho s VAL 118 CO 0.07 0.14 0.11 0.59 0.00 0.00 0.00 175.10 176.01 1rho n ASN 119 N 4.84 1.99 -0.01 3.32 5.03 0.13 -0.80 115.26 129.76 1rho n ASN 119 Ca -0.15 0.24 -0.01 0.00 0.87 0.00 0.00 54.58 55.53 1rho n ASN 119 Cb 0.48 -0.82 -0.01 0.00 -1.02 0.00 0.00 39.78 38.41 1rho n ASN 119 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1rho n ARG 120 N -3.88 0.90 -4.13 3.52 1.74 -1.26 -1.41 116.66 112.14 1rho n ARG 120 Ca -0.38 0.01 -0.12 0.00 -0.77 0.00 0.00 57.85 56.59 1rho n ARG 120 Cb 0.90 -1.04 -0.11 0.00 -1.02 0.00 0.00 32.46 31.19 1rho n ARG 120 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1rho s GLU 121 N -2.04 0.72 0.21 5.56 2.56 -1.26 -4.72 118.70 119.73 1rho s GLU 121 Ca -0.02 -1.09 -0.31 0.00 0.00 0.00 0.00 54.97 53.55 1rho s GLU 121 Cb 0.01 -0.28 -0.11 0.00 2.00 0.00 0.00 34.13 35.75 1rho s GLU 121 CO 0.05 0.02 1.60 0.42 -0.56 0.00 0.00 175.26 176.79 1rho s ILE 122 N -2.60 2.35 -0.24 -3.70 1.01 -1.26 -4.23 121.20 112.53 1rho s ILE 122 Ca 0.03 0.26 -0.05 0.00 0.00 0.00 0.00 60.65 60.89 1rho s ILE 122 Cb -0.02 -3.17 -0.01 0.00 0.01 0.00 0.00 42.46 39.27 1rho s ILE 122 CO -0.02 0.03 0.02 -0.69 0.00 0.00 0.00 174.94 174.27 1rho s VAL 123 N 0.79 3.79 0.01 2.92 1.01 -0.08 -4.97 120.40 123.88 1rho s VAL 123 Ca 0.69 -0.41 -0.17 0.00 0.00 0.00 0.00 61.98 62.09 1rho s VAL 123 Cb -0.46 -2.78 -0.06 0.00 0.00 0.00 0.00 36.38 33.08 1rho s VAL 123 CO 0.36 0.34 0.47 -0.44 0.00 0.00 0.00 175.10 175.83 1rho s SER 124 N 1.53 6.88 0.32 3.32 0.01 -1.26 -1.77 113.70 122.73 1rho s SER 124 Ca 0.05 1.05 0.00 0.00 1.31 0.00 0.00 55.95 58.36 1rho s SER 124 Cb -0.15 -2.29 0.00 0.00 0.21 0.00 0.00 66.02 63.79 1rho s SER 124 CO 0.00 0.28 0.00 0.61 0.41 0.00 0.00 173.24 174.54 1rho n GLY 125 N 1.92 -2.40 0.00 3.44 0.00 -1.26 -2.35 105.19 104.54 1rho n GLY 125 Ca -0.12 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.50 1rho n GLY 125 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1rho n LYS 127 N -1.60 0.00 -3.68 1.61 4.81 -0.56 -3.03 118.16 115.71 1rho n LYS 127 Ca 0.00 0.00 -0.38 0.00 -0.87 0.00 0.00 58.31 57.06 1rho n LYS 127 Cb 0.13 0.00 -0.12 0.00 0.02 0.00 0.00 35.03 35.06 1rho n LYS 127 CO 0.00 0.00 0.00 -0.47 1.17 0.00 0.00 177.40 178.10 1rho s TYR 128 N 0.00 3.18 -0.06 5.64 5.04 -0.50 -0.64 117.35 130.01 1rho s TYR 128 Ca 0.00 -0.80 0.01 0.00 -2.44 0.00 0.00 57.07 53.84 1rho s TYR 128 Cb 0.00 -2.33 -0.03 0.00 0.35 0.00 0.00 41.96 39.95 1rho s TYR 128 CO 0.00 -0.54 -0.08 0.42 -1.34 0.00 0.00 175.55 174.02 1rho s ILE 129 N 1.56 3.63 -0.08 3.14 1.01 -0.18 -0.96 121.20 129.31 1rho s ILE 129 Ca 0.03 -0.52 0.01 0.00 0.00 0.00 0.00 60.65 60.17 1rho s ILE 129 Cb -0.18 -2.48 0.02 0.00 0.01 0.00 0.00 42.46 39.84 1rho s ILE 129 CO 0.05 0.59 -0.07 -1.61 0.00 0.00 0.00 174.94 173.90 1rho s GLU 130 N -0.83 1.31 -0.28 2.79 2.02 -0.43 -1.34 118.70 121.94 1rho s GLU 130 Ca 0.12 -0.22 -0.01 0.00 0.02 0.00 0.00 54.97 54.88 1rho s GLU 130 Cb -0.11 -1.29 0.05 0.00 0.10 0.00 0.00 34.13 32.88 1rho s GLU 130 CO 0.02 -0.14 -0.04 -1.01 0.02 0.00 0.00 175.26 174.11 1rho s HIS 131 N 1.24 3.21 0.04 1.61 3.76 -0.86 -0.92 115.29 123.37 1rho s HIS 131 Ca -0.05 -1.89 -0.10 0.00 -0.15 0.00 0.00 55.06 52.86 1rho s HIS 131 Cb -0.14 -2.06 -0.05 0.00 1.11 0.00 0.00 32.58 31.44 1rho s HIS 131 CO -0.02 -0.80 0.37 0.99 -0.85 0.00 0.00 174.74 174.42 1rho s THR 132 N 1.24 5.13 -0.01 1.30 2.01 -0.53 -1.47 115.64 123.31 1rho s THR 132 Ca -0.05 0.50 0.04 0.00 0.31 0.00 0.00 61.69 62.48 1rho s THR 132 Cb -0.19 -3.64 -0.01 0.00 0.01 0.00 0.00 72.50 68.68 1rho s THR 132 CO -0.03 0.39 -0.12 -0.31 -0.69 0.00 0.00 174.62 173.87 1rho s TYR 133 N -1.28 1.08 -0.09 4.92 1.51 0.33 -1.74 117.35 122.08 1rho s TYR 133 Ca 0.29 -0.22 0.04 0.00 -1.01 0.00 0.00 57.07 56.17 1rho s TYR 133 Cb -0.14 -0.70 0.00 0.00 -0.11 0.00 0.00 41.96 41.00 1rho s TYR 133 CO 0.16 -0.03 -0.23 0.50 -1.11 0.00 0.00 175.55 174.84 1rho s ARG 134 N -0.20 2.81 -1.33 -0.62 6.06 -0.59 -1.57 118.95 123.51 1rho s ARG 134 Ca 0.03 -0.82 -0.15 0.00 -2.50 0.00 0.00 55.73 52.29 1rho s ARG 134 Cb -0.05 -2.17 0.14 0.00 0.06 0.00 0.00 34.95 32.93 1rho s ARG 134 CO -0.00 0.19 0.47 1.63 -2.50 0.00 0.00 175.30 175.09 1rho n LYS 135 N 3.47 -2.12 0.00 5.12 5.02 -1.26 -1.23 118.16 127.16 1rho n LYS 135 Ca -0.19 0.22 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 1rho n LYS 135 Cb 0.53 -4.83 0.00 0.00 -0.02 0.00 0.00 35.03 30.71 1rho n LYS 135 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1rho n GLY 136 N -1.01 2.96 3.87 0.72 0.00 -1.26 -5.06 105.19 105.42 1rho n GLY 136 Ca 0.06 -0.42 -0.36 0.00 0.00 0.00 0.00 46.02 45.30 1rho n GLY 136 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rho s VAL 137 N -1.96 5.32 -0.10 1.61 1.01 -0.37 -5.03 120.40 120.89 1rho s VAL 137 Ca 0.00 0.30 -0.29 0.00 0.00 0.00 0.00 61.98 61.98 1rho s VAL 137 Cb 0.00 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.80 1rho s VAL 137 CO 0.00 0.48 1.51 -0.75 0.00 0.00 0.00 175.10 176.35 1rho s LYS 138 N -1.41 4.19 -0.18 2.72 2.20 -1.26 -1.54 119.74 124.46 1rho s LYS 138 Ca 0.23 1.99 0.11 0.00 -0.36 0.00 0.00 55.97 57.93 1rho s LYS 138 Cb -0.13 -3.91 -0.19 0.00 -1.51 0.00 0.00 37.83 32.09 1rho s LYS 138 CO 0.12 -0.81 -0.02 0.44 -0.36 0.00 0.00 175.35 174.72 1rho n ILE 139 N 5.47 1.18 -4.00 5.43 -5.35 -0.71 -4.95 119.36 116.42 1rho n ILE 139 Ca 0.16 -0.64 -0.09 0.00 -0.27 0.00 0.00 62.75 61.91 1rho n ILE 139 Cb 0.44 -0.78 -0.11 0.00 -1.74 0.00 0.00 39.64 37.45 1rho n ILE 139 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1rho s ASP 140 N -5.40 0.37 -0.10 7.28 2.15 -1.01 -5.02 116.67 114.94 1rho s ASP 140 Ca -0.15 -0.55 0.00 0.00 0.43 0.00 0.00 52.55 52.28 1rho s ASP 140 Cb 0.06 0.10 0.02 0.00 -0.30 0.00 0.00 42.92 42.80 1rho s ASP 140 CO 0.63 -0.31 -0.07 -0.54 -0.17 0.00 0.00 175.17 174.70 1rho s LYS 141 N -1.71 1.42 -0.05 4.34 1.02 -1.26 -1.45 119.74 122.05 1rho s LYS 141 Ca -0.13 -0.23 -0.01 0.00 0.02 0.00 0.00 55.97 55.61 1rho s LYS 141 Cb -0.08 -1.45 0.03 0.00 -0.52 0.00 0.00 37.83 35.81 1rho s LYS 141 CO -0.02 -0.21 0.02 0.99 -0.92 0.00 0.00 175.35 175.22 1rho s THR 142 N 1.51 0.17 0.21 2.17 2.01 -0.10 -5.01 115.64 116.60 1rho s THR 142 Ca 0.01 0.22 0.01 0.00 0.31 0.00 0.00 61.69 62.24 1rho s THR 142 Cb -0.13 -0.35 -0.04 0.00 0.01 0.00 0.00 72.50 71.99 1rho s THR 142 CO -0.05 0.21 0.38 -1.81 -0.69 0.00 0.00 174.62 172.66 1rho s ASP 143 N 1.85 6.36 0.00 3.53 1.11 -1.26 -1.32 116.67 126.94 1rho s ASP 143 Ca 0.02 0.31 0.00 0.00 0.18 0.00 0.00 52.55 53.06 1rho s ASP 143 Cb -0.12 -1.97 0.00 0.00 1.07 0.00 0.00 42.92 41.90 1rho s ASP 143 CO -0.04 -0.05 0.00 -1.22 1.18 0.00 0.00 175.17 175.04 1rho n TYR 144 N -0.86 0.00 0.00 4.23 4.01 -0.13 -4.98 117.16 119.43 1rho n TYR 144 Ca -0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.68 1rho n TYR 144 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.58 1rho n TYR 144 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1rho n VAL 146 N 0.00 0.00 -0.20 -0.72 0.31 -1.26 -1.41 118.33 115.04 1rho n VAL 146 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1rho n VAL 146 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1rho n VAL 146 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1rho n GLY 147 N -0.52 -3.08 3.67 2.92 0.00 -1.26 -4.97 105.19 101.94 1rho n GLY 147 Ca 0.00 -2.02 -0.38 0.00 0.00 0.00 0.00 46.02 43.62 1rho n GLY 147 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1rho s SER 148 N -1.91 6.39 -0.07 1.61 0.01 -1.26 -3.98 113.70 114.48 1rho s SER 148 Ca 0.00 0.45 0.03 0.00 1.31 0.00 0.00 55.95 57.74 1rho s SER 148 Cb 0.00 -2.21 0.01 0.00 0.21 0.00 0.00 66.02 64.02 1rho s SER 148 CO 0.00 -0.06 -0.16 -0.31 0.41 0.00 0.00 173.24 173.12 1rho s TYR 149 N 1.29 1.76 0.75 2.43 1.51 -0.73 -4.97 117.35 119.40 1rho s TYR 149 Ca 0.17 -0.66 -0.06 0.00 -1.01 0.00 0.00 57.07 55.52 1rho s TYR 149 Cb -0.15 -1.24 0.11 0.00 -0.11 0.00 0.00 41.96 40.58 1rho s TYR 149 CO 0.07 -0.30 1.06 0.20 -1.11 0.00 0.00 175.55 175.47 1rho s GLY 150 N 0.50 1.75 0.67 0.71 0.00 -1.26 -0.90 107.32 108.79 1rho s GLY 150 Ca -0.14 -1.32 -0.16 0.00 0.00 0.00 0.00 44.72 43.09 1rho s GLY 150 CO 0.05 -0.79 1.19 2.56 0.00 0.00 0.00 173.10 176.11 1rho s PRO 151 N -5.31 2.53 -0.07 2.90 0.04 -1.26 -4.78 135.00 129.05 1rho s PRO 151 Ca 0.65 1.71 -0.30 0.00 0.04 0.00 0.00 61.00 63.11 1rho s PRO 151 Cb -0.07 -1.89 0.11 0.00 0.04 0.00 0.00 34.50 32.70 1rho s PRO 151 CO 0.46 -1.52 0.95 0.50 0.04 0.00 0.00 177.00 177.42 1rho s ARG 152 N -3.76 0.70 -0.05 4.56 3.52 0.02 -4.24 118.95 119.70 1rho s ARG 152 Ca 0.74 -0.12 -0.23 0.00 -0.13 0.00 0.00 55.73 55.99 1rho s ARG 152 Cb -0.28 0.33 -0.28 0.00 -1.56 0.00 0.00 34.95 33.16 1rho s ARG 152 CO 0.41 -0.28 0.93 0.00 -0.81 0.00 0.00 175.30 175.55 1rho h ALA 153 N 2.21 -0.03 -2.67 6.12 0.00 -1.84 -3.42 119.26 119.63 1rho h ALA 153 Ca -0.20 -0.62 -0.50 0.00 0.00 0.00 0.00 54.91 53.60 1rho h ALA 153 Cb 1.21 0.06 0.04 0.00 0.00 0.00 0.00 17.79 19.10 1rho h ALA 153 CO 0.30 0.28 0.47 -2.00 0.00 0.00 0.00 179.25 178.31 1rho s GLU 154 N -2.63 4.10 0.56 0.00 2.12 -1.26 -5.00 118.70 116.59 1rho s GLU 154 Ca -0.15 1.74 -0.15 0.00 0.36 0.00 0.00 54.97 56.77 1rho s GLU 154 Cb 0.01 -2.65 -0.06 0.00 0.26 0.00 0.00 34.13 31.69 1rho s GLU 154 CO 0.80 -0.25 1.01 -1.83 -0.54 0.00 0.00 175.26 174.45 1rho s GLU 155 N -2.33 3.72 0.08 4.30 -1.05 -1.26 -4.79 118.70 117.37 1rho s GLU 155 Ca 0.57 0.95 0.02 0.00 -0.15 0.00 0.00 54.97 56.35 1rho s GLU 155 Cb -0.28 -2.10 -0.04 0.00 -0.44 0.00 0.00 34.13 31.27 1rho s GLU 155 CO 0.35 -0.47 0.15 0.71 0.95 0.00 0.00 175.26 176.95 1rho s TYR 156 N -2.74 3.35 -0.14 4.83 2.02 0.78 -4.95 117.35 120.49 1rho s TYR 156 Ca 0.59 0.15 0.01 0.00 -0.37 0.00 0.00 57.07 57.44 1rho s TYR 156 Cb -0.11 -1.68 0.02 0.00 -0.40 0.00 0.00 41.96 39.79 1rho s TYR 156 CO 0.38 0.55 -0.14 -1.21 -1.57 0.00 0.00 175.55 173.56 1rho s GLU 157 N -2.50 2.27 -0.18 -0.62 2.02 -1.26 -1.22 118.70 117.20 1rho s GLU 157 Ca 0.32 -0.55 -0.06 0.00 0.02 0.00 0.00 54.97 54.70 1rho s GLU 157 Cb -0.12 -2.06 -0.03 0.00 0.10 0.00 0.00 34.13 32.01 1rho s GLU 157 CO 0.25 -0.21 0.03 0.12 0.02 0.00 0.00 175.26 175.47 1rho s PHE 158 N 1.42 3.15 -0.19 1.61 5.36 0.06 -4.95 117.98 124.45 1rho s PHE 158 Ca 0.03 -0.12 -0.03 0.00 -0.96 0.00 0.00 56.93 55.86 1rho s PHE 158 Cb -0.13 -2.07 -0.01 0.00 -0.34 0.00 0.00 43.02 40.47 1rho s PHE 158 CO -0.09 0.02 -0.07 -0.51 -1.46 0.00 0.00 175.22 173.11 1rho s LEU 159 N 0.55 2.85 0.76 6.12 1.43 -1.26 -0.75 118.68 128.38 1rho s LEU 159 Ca 0.01 -0.36 -0.11 0.00 -1.03 0.00 0.00 54.13 52.64 1rho s LEU 159 Cb -0.13 -1.70 0.05 0.00 0.03 0.00 0.00 46.19 44.43 1rho s LEU 159 CO 0.02 0.04 1.08 0.42 0.23 0.00 0.00 176.35 178.14 1rho s THR 160 N 1.10 3.46 0.95 5.49 -4.23 -0.70 -4.99 115.64 116.71 1rho s THR 160 Ca 0.01 0.47 -0.12 0.00 -1.18 0.00 0.00 61.69 60.88 1rho s THR 160 Cb -0.15 -3.20 0.16 0.00 1.34 0.00 0.00 72.50 70.65 1rho s THR 160 CO -0.01 -0.62 1.09 -2.16 -0.54 0.00 0.00 174.62 172.38 1rho s PRO 161 N -5.09 0.84 0.36 3.99 0.04 -1.26 -4.57 135.00 129.30 1rho s PRO 161 Ca 0.60 0.90 -0.28 0.00 0.04 0.00 0.00 61.00 62.25 1rho s PRO 161 Cb -0.14 -1.75 -0.11 0.00 0.04 0.00 0.00 34.50 32.53 1rho s PRO 161 CO 0.55 -2.55 1.48 0.28 0.04 0.00 0.00 177.00 176.79 1rho n VAL 162 N -4.11 1.82 -4.43 -0.36 0.31 -1.26 -4.70 118.33 105.59 1rho n VAL 162 Ca 0.07 -0.45 -0.21 0.00 -0.01 0.00 0.00 64.34 63.73 1rho n VAL 162 Cb 0.55 -1.91 -0.10 0.00 -0.91 0.00 0.00 33.84 31.46 1rho n VAL 162 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1rho s GLU 163 N -1.78 1.57 0.07 5.55 0.41 -0.22 -5.00 118.70 119.31 1rho s GLU 163 Ca 0.56 -1.82 0.06 0.00 -0.41 0.00 0.00 54.97 53.36 1rho s GLU 163 Cb -0.49 -1.02 -0.03 0.00 -1.78 0.00 0.00 34.13 30.80 1rho s GLU 163 CO 0.61 -0.05 -0.17 -1.21 -0.49 0.00 0.00 175.26 173.95 1rho s GLU 164 N -3.79 1.01 0.39 1.61 2.02 -1.26 -1.45 118.70 117.24 1rho s GLU 164 Ca 0.31 -0.99 -0.24 0.00 0.02 0.00 0.00 54.97 54.07 1rho s GLU 164 Cb 0.06 -1.13 -0.09 0.00 0.10 0.00 0.00 34.13 33.07 1rho s GLU 164 CO 0.13 0.27 1.06 0.00 0.02 0.00 0.00 175.26 176.73 1rho s ALA 165 N -1.10 3.10 0.61 5.21 0.00 0.26 -4.95 121.76 124.88 1rho s ALA 165 Ca 0.03 0.72 -0.18 0.00 0.00 0.00 0.00 51.96 52.53 1rho s ALA 165 Cb -0.09 -3.28 -0.03 0.00 0.00 0.00 0.00 23.12 19.72 1rho s ALA 165 CO 0.03 -0.22 1.18 -1.25 0.00 0.00 0.00 175.76 175.49 1rho s PRO 166 N -2.45 2.92 0.04 0.00 0.04 -1.26 -1.89 135.00 132.41 1rho s PRO 166 Ca 0.57 1.71 0.07 0.00 0.04 0.00 0.00 61.00 63.39 1rho s PRO 166 Cb -0.23 -1.94 -0.03 0.00 0.04 0.00 0.00 34.50 32.34 1rho s PRO 166 CO 0.28 -1.22 -0.16 0.21 0.04 0.00 0.00 177.00 176.15 1rho s LYS 167 N -3.50 2.11 0.00 4.56 2.20 -1.26 -2.83 119.74 121.01 1rho s LYS 167 Ca 0.75 -0.97 0.00 0.00 -0.36 0.00 0.00 55.97 55.39 1rho s LYS 167 Cb -0.27 -2.22 0.00 0.00 -1.51 0.00 0.00 37.83 33.82 1rho s LYS 167 CO 0.34 0.54 0.00 0.41 -0.36 0.00 0.00 175.35 176.29 1rho n GLY 168 N 1.46 0.52 0.32 5.54 0.00 -1.26 -4.53 105.19 107.24 1rho n GLY 168 Ca -0.16 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.47 1rho n GLY 168 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1rho n LEU 170 N 0.00 0.00 0.02 0.99 4.32 -1.26 -1.91 117.00 119.16 1rho n LEU 170 Ca 0.00 0.00 0.11 0.00 -0.02 0.00 0.00 56.01 56.10 1rho n LEU 170 Cb 0.00 0.00 0.02 0.00 -1.62 0.00 0.00 43.42 41.82 1rho n LEU 170 CO 0.00 0.00 0.01 0.00 -1.22 0.00 0.00 177.39 176.18 1rho n ALA 171 N 0.00 3.60 -2.26 -1.18 0.00 -1.26 -4.93 120.51 114.47 1rho n ALA 171 Ca 0.00 -0.43 -0.40 0.00 0.00 0.00 0.00 53.44 52.61 1rho n ALA 171 Cb 0.00 -0.95 -0.05 0.00 0.00 0.00 0.00 19.45 18.45 1rho n ALA 171 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1rho s ARG 172 N -3.16 4.58 0.00 0.00 0.52 -0.80 -4.78 118.95 115.31 1rho s ARG 172 Ca 0.05 1.21 0.00 0.00 -0.52 0.00 0.00 55.73 56.46 1rho s ARG 172 Cb 0.15 -3.35 0.00 0.00 0.52 0.00 0.00 34.95 32.27 1rho s ARG 172 CO 0.81 0.32 0.00 0.41 0.02 0.00 0.00 175.30 176.86 1rho n GLY 173 N 2.17 0.94 3.72 -3.53 0.00 -0.28 -4.97 105.19 103.23 1rho n GLY 173 Ca -0.02 -2.02 -0.42 0.00 0.00 0.00 0.00 46.02 43.57 1rho n GLY 173 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1rho s SER 174 N -1.43 7.36 0.29 1.61 0.01 -1.26 -1.77 113.70 118.51 1rho s SER 174 Ca 0.00 1.65 0.11 0.00 1.31 0.00 0.00 55.95 59.02 1rho s SER 174 Cb 0.00 -2.56 -0.05 0.00 0.21 0.00 0.00 66.02 63.62 1rho s SER 174 CO 0.00 -0.20 -0.17 -0.31 0.41 0.00 0.00 173.24 172.97 1rho s TYR 175 N 0.76 2.26 -0.03 2.43 1.51 0.78 -4.40 117.35 120.66 1rho s TYR 175 Ca 0.50 -0.40 0.01 0.00 -1.01 0.00 0.00 57.07 56.16 1rho s TYR 175 Cb -0.21 -1.07 0.02 0.00 -0.11 0.00 0.00 41.96 40.59 1rho s TYR 175 CO 0.28 0.64 -0.03 0.45 -1.11 0.00 0.00 175.55 175.78 1rho s SER 176 N -3.51 0.69 -0.07 2.29 0.15 -0.61 -1.79 113.70 110.84 1rho s SER 176 Ca 0.30 -0.09 0.04 0.00 0.70 0.00 0.00 55.95 56.90 1rho s SER 176 Cb -0.03 -0.30 -0.01 0.00 -1.71 0.00 0.00 66.02 63.97 1rho s SER 176 CO 0.15 -0.05 -0.20 -0.63 1.20 0.00 0.00 173.24 173.70 1rho s ILE 177 N 0.74 2.45 -0.40 6.45 1.09 0.66 -0.51 121.20 131.69 1rho s ILE 177 Ca -0.09 -0.92 -0.05 0.00 -1.10 0.00 0.00 60.65 58.50 1rho s ILE 177 Cb -0.12 -1.94 0.09 0.00 -1.06 0.00 0.00 42.46 39.43 1rho s ILE 177 CO -0.00 0.56 0.19 -0.54 -0.10 0.00 0.00 174.94 175.05 1rho s LYS 178 N -0.13 2.30 0.13 2.79 1.02 -0.54 -0.72 119.74 124.59 1rho s LYS 178 Ca -0.03 -1.61 -0.04 0.00 0.02 0.00 0.00 55.97 54.31 1rho s LYS 178 Cb -0.14 -3.60 -0.05 0.00 -0.52 0.00 0.00 37.83 33.52 1rho s LYS 178 CO 0.04 -0.96 0.36 -1.12 -0.92 0.00 0.00 175.35 172.74 1rho s SER 179 N 1.87 6.47 -0.06 2.83 0.01 0.13 -2.02 113.70 122.93 1rho s SER 179 Ca 0.04 0.55 0.00 0.00 1.31 0.00 0.00 55.95 57.85 1rho s SER 179 Cb -0.23 -2.07 0.02 0.00 0.21 0.00 0.00 66.02 63.95 1rho s SER 179 CO -0.01 0.06 -0.04 -0.13 0.41 0.00 0.00 173.24 173.53 1rho s ARG 180 N -2.65 0.86 -0.23 12.44 0.52 -0.45 -1.50 118.95 127.95 1rho s ARG 180 Ca 0.40 -0.07 -0.06 0.00 -0.52 0.00 0.00 55.73 55.48 1rho s ARG 180 Cb -0.12 -0.96 -0.03 0.00 0.52 0.00 0.00 34.95 34.36 1rho s ARG 180 CO 0.25 -0.15 0.04 0.12 0.02 0.00 0.00 175.30 175.58 1rho s PHE 181 N 1.26 3.08 0.00 -0.53 5.36 -0.54 -1.01 117.98 125.60 1rho s PHE 181 Ca -0.06 -0.40 0.00 0.00 -0.96 0.00 0.00 56.93 55.51 1rho s PHE 181 Cb -0.14 -2.17 0.00 0.00 -0.34 0.00 0.00 43.02 40.38 1rho s PHE 181 CO -0.02 -0.27 0.00 -2.37 -1.46 0.00 0.00 175.22 171.10 1rho n THR 182 N 4.56 0.00 -2.87 0.12 5.66 0.19 -2.01 114.28 119.92 1rho n THR 182 Ca -0.17 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.83 1rho n THR 182 Cb 0.52 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.30 1rho n THR 182 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1rho n ASP 183 N -1.40 0.00 0.23 1.09 5.68 -1.25 -1.49 116.55 119.40 1rho n ASP 183 Ca 0.00 -0.56 0.16 0.00 -0.50 0.00 0.00 54.79 53.89 1rho n ASP 183 Cb 0.00 0.00 0.79 0.00 -1.14 0.00 0.00 41.12 40.77 1rho n ASP 183 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1rho h ASP 184 N 0.00 0.00 -0.42 -1.12 3.32 -1.38 -2.35 116.42 114.48 1rho h ASP 184 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1rho h ASP 184 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1rho h ASP 184 CO 0.00 0.00 0.00 0.47 -1.72 0.00 0.00 179.24 177.99 1rho n ASP 185 N -2.62 3.31 -2.11 6.45 8.00 -1.26 -4.97 116.55 123.34 1rho n ASP 185 Ca -0.01 -2.13 -0.21 0.00 0.71 0.00 0.00 54.79 53.15 1rho n ASP 185 Cb 0.11 -0.33 -0.04 0.00 -0.02 0.00 0.00 41.12 40.85 1rho n ASP 185 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1rho n LYS 186 N 0.62 -1.59 -2.13 -1.24 5.02 -0.88 -4.98 118.16 112.98 1rho n LYS 186 Ca 0.16 1.09 -0.41 0.00 -2.02 0.00 0.00 58.31 57.13 1rho n LYS 186 Cb 0.54 -5.66 -0.02 0.00 -0.02 0.00 0.00 35.03 29.87 1rho n LYS 186 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1rho s THR 187 N -2.95 2.83 -0.98 -0.18 2.01 -1.26 -4.86 115.64 110.24 1rho s THR 187 Ca 0.00 0.77 -0.14 0.00 0.31 0.00 0.00 61.69 62.63 1rho s THR 187 Cb 0.00 -3.49 0.20 0.00 0.01 0.00 0.00 72.50 69.22 1rho s THR 187 CO 0.00 0.16 1.04 -0.62 -0.69 0.00 0.00 174.62 174.51 1rho s ASP 188 N -0.18 6.91 0.46 3.53 2.15 -1.26 -3.96 116.67 124.32 1rho s ASP 188 Ca 0.52 -2.79 0.18 0.00 0.43 0.00 0.00 52.55 50.89 1rho s ASP 188 Cb -0.39 -2.29 1.10 0.00 -0.30 0.00 0.00 42.92 41.04 1rho s ASP 188 CO 0.48 -0.65 1.99 0.45 -0.17 0.00 0.00 175.17 177.26 1rho h HIS 189 N 7.68 0.00 0.00 -5.34 3.86 -1.78 -3.45 115.15 116.12 1rho h HIS 189 Ca 0.17 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.38 1rho h HIS 189 Cb 0.97 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.44 1rho h HIS 189 CO 1.02 0.19 0.00 -0.11 0.86 0.00 0.00 177.93 179.89 1rho n LEU 190 N -4.06 0.00 -4.06 2.43 0.00 -1.23 -4.54 117.00 105.54 1rho n LEU 190 Ca -0.02 0.00 -0.24 0.00 0.00 0.00 0.00 56.01 55.75 1rho n LEU 190 Cb 0.27 0.00 -0.16 0.00 0.00 0.00 0.00 43.42 43.53 1rho n LEU 190 CO 0.35 0.00 -0.47 -0.44 0.00 0.00 0.00 177.39 176.82 1rho s SER 191 N 0.00 1.80 0.22 1.96 0.01 -1.26 -1.47 113.70 114.95 1rho s SER 191 Ca 0.00 -0.29 -0.08 0.00 1.31 0.00 0.00 55.95 56.89 1rho s SER 191 Cb 0.00 -0.61 -0.02 0.00 0.21 0.00 0.00 66.02 65.60 1rho s SER 191 CO 0.00 0.09 0.31 -1.66 0.41 0.00 0.00 173.24 172.39 1rho s TRP 192 N 0.30 0.68 -0.07 2.43 -2.14 -0.57 -5.01 118.94 114.56 1rho s TRP 192 Ca -0.07 -0.99 -0.00 0.00 2.66 0.00 0.00 56.10 57.69 1rho s TRP 192 Cb -0.12 -0.14 0.03 0.00 -3.10 0.00 0.00 33.47 30.13 1rho s TRP 192 CO 0.02 -0.82 -0.02 -2.00 -2.66 0.00 0.00 176.95 171.47 1rho s GLU 193 N -4.07 0.80 0.31 3.25 2.12 -1.26 -0.70 118.70 119.16 1rho s GLU 193 Ca 0.28 -0.01 0.03 0.00 0.36 0.00 0.00 54.97 55.63 1rho s GLU 193 Cb 0.03 -1.00 -0.06 0.00 0.26 0.00 0.00 34.13 33.36 1rho s GLU 193 CO 0.09 -0.22 0.08 1.67 -0.54 0.00 0.00 175.26 176.34 1rho s TRP 194 N 1.58 1.82 0.03 5.30 1.48 0.10 -3.88 118.94 125.37 1rho s TRP 194 Ca -0.01 -1.06 0.09 0.00 -1.06 0.00 0.00 56.10 54.06 1rho s TRP 194 Cb -0.13 -1.15 -0.03 0.00 -1.16 0.00 0.00 33.47 31.00 1rho s TRP 194 CO -0.04 -0.13 -0.26 -0.80 -4.06 0.00 0.00 176.95 171.66 1rho s ASN 195 N -3.45 3.16 -0.16 -2.66 0.01 -1.26 -0.24 114.94 110.34 1rho s ASN 195 Ca 0.36 -0.56 -0.01 0.00 -0.71 0.00 0.00 52.86 51.94 1rho s ASN 195 Cb 0.08 -0.31 0.04 0.00 0.41 0.00 0.00 41.25 41.47 1rho s ASN 195 CO 0.15 0.27 -0.04 -0.22 -1.51 0.00 0.00 177.10 175.76 1rho s LEU 196 N -1.08 1.47 -0.30 0.60 2.96 -0.74 -1.13 118.68 120.46 1rho s LEU 196 Ca 0.11 -0.63 -0.07 0.00 -0.22 0.00 0.00 54.13 53.33 1rho s LEU 196 Cb -0.10 -0.83 0.01 0.00 0.50 0.00 0.00 46.19 45.77 1rho s LEU 196 CO 0.01 -0.20 0.08 -0.89 -1.32 0.00 0.00 176.35 174.03 1rho s THR 197 N 1.69 3.91 -0.37 3.68 2.01 -0.09 -0.15 115.64 126.31 1rho s THR 197 Ca 0.01 -0.77 -0.23 0.00 0.31 0.00 0.00 61.69 61.02 1rho s THR 197 Cb -0.15 -3.04 0.01 0.00 0.01 0.00 0.00 72.50 69.33 1rho s THR 197 CO -0.07 0.05 0.75 -0.63 -0.69 0.00 0.00 174.62 174.02 1rho s ILE 198 N 1.48 4.76 0.36 1.82 -1.09 -0.73 -1.51 121.20 126.29 1rho s ILE 198 Ca 0.02 0.75 0.08 0.00 -2.23 0.00 0.00 60.65 59.27 1rho s ILE 198 Cb -0.17 -4.20 -0.05 0.00 -1.58 0.00 0.00 42.46 36.46 1rho s ILE 198 CO 0.02 -0.45 0.11 -0.54 -1.23 0.00 0.00 174.94 172.85 1rho s LYS 199 N 3.04 2.23 0.04 2.79 1.02 -0.65 -1.13 119.74 127.08 1rho s LYS 199 Ca 0.29 -1.70 -0.25 0.00 0.02 0.00 0.00 55.97 54.34 1rho s LYS 199 Cb -0.13 -2.04 -0.17 0.00 -0.52 0.00 0.00 37.83 34.97 1rho s LYS 199 CO 0.17 0.06 1.52 -0.22 -0.92 0.00 0.00 175.35 175.96 1rho h LYS 200 N 1.61 -0.07 -4.95 1.68 3.64 -1.96 -0.95 116.57 115.57 1rho h LYS 200 Ca -0.43 0.00 -0.40 0.00 -1.27 0.00 0.00 60.65 58.56 1rho h LYS 200 Cb 1.25 0.02 -0.14 0.00 -0.41 0.00 0.00 32.23 32.95 1rho h LYS 200 CO 0.66 0.15 -0.59 -0.51 -2.27 0.00 0.00 179.45 176.88 1rho s ASP 201 N -5.33 1.57 0.48 4.20 1.01 -1.26 -4.27 116.67 113.06 1rho s ASP 201 Ca -0.14 -1.44 0.16 0.00 0.71 0.00 0.00 52.55 51.83 1rho s ASP 201 Cb 0.04 0.19 1.15 0.00 1.01 0.00 0.00 42.92 45.32 1rho s ASP 201 CO 0.65 -0.76 2.06 -0.50 0.21 0.00 0.00 175.17 176.83 1rho h TRP 202 N 2.26 0.21 0.00 4.23 4.06 -1.93 -3.44 115.95 121.34 1rho h TRP 202 Ca -0.37 0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.58 1rho h TRP 202 Cb 1.25 -0.07 0.00 0.00 -1.00 0.00 0.00 29.16 29.34 1rho h TRP 202 CO 0.67 0.12 0.00 1.17 -3.56 0.00 0.00 178.44 176.84