#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cx5 s THR 75 N 0.00 3.11 0.11 2.52 -1.32 -1.26 -4.98 115.64 113.83 3cx5 s THR 75 Ca 0.00 0.30 -0.31 0.00 -1.21 0.00 0.00 61.69 60.48 3cx5 s THR 75 Cb 0.00 -3.35 -0.10 0.00 -1.51 0.00 0.00 72.50 67.54 3cx5 s THR 75 CO 0.00 -0.45 1.86 -0.62 -2.21 0.00 0.00 174.62 173.20 3cx5 s ASP 76 N -4.41 6.42 0.30 8.08 2.15 -1.26 -4.90 116.67 123.05 3cx5 s ASP 76 Ca 0.59 2.76 -0.01 0.00 0.43 0.00 0.00 52.55 56.31 3cx5 s ASP 76 Cb -0.11 -2.56 0.46 0.00 -0.30 0.00 0.00 42.92 40.41 3cx5 s ASP 76 CO 0.50 -1.02 1.95 1.56 -0.17 0.00 0.00 175.17 177.99 3cx5 h GLN 77 N 8.97 1.01 -0.29 4.34 7.50 -1.95 -1.84 115.11 132.85 3cx5 h GLN 77 Ca -0.47 -0.09 -0.15 0.00 0.50 0.00 0.00 58.65 58.45 3cx5 h GLN 77 Cb 1.22 -0.21 -0.01 0.00 0.05 0.00 0.00 27.48 28.53 3cx5 h GLN 77 CO 0.95 0.70 -0.42 1.25 -1.50 0.00 0.00 178.83 179.82 3cx5 h LEU 78 N 1.03 0.75 -0.54 1.46 5.85 -1.94 -2.14 115.31 119.77 3cx5 h LEU 78 Ca 0.27 -0.34 -0.03 0.00 0.84 0.00 0.00 57.88 58.61 3cx5 h LEU 78 Cb -0.04 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.75 3cx5 h LEU 78 CO -0.05 1.07 0.22 -0.33 -0.34 0.00 0.00 178.44 179.00 3cx5 h GLU 79 N 0.57 0.81 0.15 1.25 5.08 -1.84 -0.76 114.58 119.84 3cx5 h GLU 79 Ca 0.04 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 3cx5 h GLU 79 Cb 0.96 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 3cx5 h GLU 79 CO 0.09 0.71 -0.11 -0.44 -1.00 0.00 0.00 179.01 178.26 3cx5 h ASP 80 N 0.74 -0.28 -1.00 1.42 3.32 -1.23 -0.91 116.42 118.49 3cx5 h ASP 80 Ca 0.18 0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.26 3cx5 h ASP 80 Cb 0.20 0.09 -0.05 0.00 0.22 0.00 0.00 39.33 39.79 3cx5 h ASP 80 CO -0.01 -0.17 0.66 -0.07 -1.72 0.00 0.00 179.24 177.93 3cx5 h LEU 81 N -0.26 1.15 -0.69 1.55 3.38 -1.27 -0.64 115.31 118.52 3cx5 h LEU 81 Ca -0.01 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 3cx5 h LEU 81 Cb 0.23 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3cx5 h LEU 81 CO -0.00 0.83 -0.08 0.03 0.09 0.00 0.00 178.44 179.31 3cx5 h ARG 82 N 1.35 0.93 -0.41 1.13 3.08 -0.92 -2.05 114.38 117.49 3cx5 h ARG 82 Ca 0.37 -0.31 -0.06 0.00 0.07 0.00 0.00 59.98 60.05 3cx5 h ARG 82 Cb -0.14 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 29.81 3cx5 h ARG 82 CO -0.08 0.97 0.02 1.49 -1.07 0.00 0.00 179.97 181.30 3cx5 h GLU 83 N 0.84 0.72 -0.11 0.04 4.57 -0.64 -2.05 114.58 117.95 3cx5 h GLU 83 Ca 0.14 -0.22 0.03 0.00 -1.18 0.00 0.00 59.36 58.13 3cx5 h GLU 83 Cb 0.60 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 29.09 3cx5 h GLU 83 CO 0.04 0.79 -0.08 1.25 -1.18 0.00 0.00 179.01 179.82 3cx5 h HIS 84 N 0.56 -0.20 0.00 0.92 2.76 -0.93 -2.77 115.15 115.49 3cx5 h HIS 84 Ca 0.12 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.30 3cx5 h HIS 84 Cb 0.45 0.11 0.00 0.00 1.55 0.00 0.00 27.41 29.51 3cx5 h HIS 84 CO 0.03 -0.13 0.00 0.74 -1.30 0.00 0.00 177.93 177.28 3cx5 h PHE 85 N -0.09 0.00 0.00 5.26 -1.00 -1.29 -2.23 116.94 117.59 3cx5 h PHE 85 Ca 0.07 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.85 3cx5 h PHE 85 Cb 0.19 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.75 3cx5 h PHE 85 CO -0.20 0.00 0.00 0.87 -1.61 0.00 0.00 178.31 177.37 3cx5 h LYS 86 N 0.00 0.00 -0.00 1.51 1.57 -1.08 -3.04 116.57 115.53 3cx5 h LYS 86 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3cx5 h LYS 86 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 3cx5 h LYS 86 CO 0.00 0.00 -0.46 0.09 -0.57 0.00 0.00 179.45 178.51 3cx5 n ASN 87 N -2.95 0.76 -4.65 0.86 3.02 -0.84 -2.65 115.26 108.80 3cx5 n ASN 87 Ca 0.02 -0.55 -0.29 0.00 -0.03 0.00 0.00 54.58 53.73 3cx5 n ASN 87 Cb 0.34 0.28 0.17 0.00 -0.61 0.00 0.00 39.78 39.96 3cx5 n ASN 87 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3cx5 s THR 88 N -2.83 1.97 0.15 3.41 -4.23 -1.15 -4.75 115.64 108.22 3cx5 s THR 88 Ca 0.15 0.00 -0.17 0.00 -1.18 0.00 0.00 61.69 60.50 3cx5 s THR 88 Cb 0.18 -2.61 0.01 0.00 1.34 0.00 0.00 72.50 71.41 3cx5 s THR 88 CO 0.65 0.00 1.79 -0.08 -0.54 0.00 0.00 174.62 176.45 3cx5 h GLU 89 N -1.79 0.42 -0.54 3.99 4.22 -1.91 0.07 114.58 119.05 3cx5 h GLU 89 Ca -0.52 -0.03 -0.10 0.00 0.08 0.00 0.00 59.36 58.79 3cx5 h GLU 89 Cb 1.33 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.47 3cx5 h GLU 89 CO 0.58 0.28 -0.05 1.49 -2.18 0.00 0.00 179.01 179.13 3cx5 h GLU 90 N 0.44 0.98 -0.82 1.92 4.81 -1.92 -2.05 114.58 117.94 3cx5 h GLU 90 Ca 0.14 -0.34 -0.01 0.00 -0.13 0.00 0.00 59.36 59.03 3cx5 h GLU 90 Cb 0.00 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.27 3cx5 h GLU 90 CO -0.07 1.01 0.48 0.78 -0.73 0.00 0.00 179.01 180.48 3cx5 h GLY 91 N 0.85 1.21 1.42 1.92 0.00 -1.59 -2.06 103.07 104.82 3cx5 h GLY 91 Ca 0.15 -0.52 -0.14 0.00 0.00 0.00 0.00 47.33 46.81 3cx5 h GLY 91 CO 0.04 0.50 -0.42 0.50 0.00 0.00 0.00 176.54 177.16 3cx5 h LYS 92 N 1.13 0.64 -0.56 4.80 1.57 -0.75 -1.48 116.57 121.92 3cx5 h LYS 92 Ca 0.29 -0.33 -0.05 0.00 -1.87 0.00 0.00 60.65 58.69 3cx5 h LYS 92 Cb -0.01 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 3cx5 h LYS 92 CO -0.05 0.94 0.15 0.00 -0.57 0.00 0.00 179.45 179.91 3cx5 h ALA 93 N 1.02 0.73 -0.35 3.86 0.00 -1.15 -0.85 119.26 122.53 3cx5 h ALA 93 Ca 0.04 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 3cx5 h ALA 93 Cb 0.94 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3cx5 h ALA 93 CO 0.08 0.43 -0.01 -0.07 0.00 0.00 0.00 179.25 179.68 3cx5 h LEU 94 N 0.79 0.61 -0.93 0.00 4.07 -1.28 -0.72 115.31 117.85 3cx5 h LEU 94 Ca 0.18 -0.32 -0.06 0.00 0.08 0.00 0.00 57.88 57.76 3cx5 h LEU 94 Cb 0.33 -0.16 -0.03 0.00 1.08 0.00 0.00 40.66 41.88 3cx5 h LEU 94 CO -0.00 0.78 0.11 -0.37 -1.08 0.00 0.00 178.44 177.88 3cx5 h VAL 95 N 0.42 1.24 -0.15 1.22 -1.51 -1.19 -1.73 116.25 114.56 3cx5 h VAL 95 Ca 0.10 -0.90 0.00 0.00 -1.23 0.00 0.00 66.70 64.67 3cx5 h VAL 95 Cb 0.47 0.69 -0.01 0.00 -2.13 0.00 0.00 31.29 30.31 3cx5 h VAL 95 CO 0.02 0.33 0.08 -0.74 -1.23 0.00 0.00 177.57 176.04 3cx5 h HIS 96 N 0.85 0.16 -0.73 5.19 -0.00 -0.89 0.16 115.15 119.89 3cx5 h HIS 96 Ca 0.18 0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.55 3cx5 h HIS 96 Cb 0.35 -0.05 -0.04 0.00 -0.00 0.00 0.00 27.41 27.68 3cx5 h HIS 96 CO 0.02 0.10 0.43 0.45 -0.00 0.00 0.00 177.93 178.93 3cx5 h HIS 97 N 0.18 0.96 -0.12 5.26 -0.00 -0.82 0.49 115.15 121.11 3cx5 h HIS 97 Ca 0.06 -0.00 -0.05 0.00 -0.00 0.00 0.00 60.37 60.38 3cx5 h HIS 97 Cb -0.01 -0.32 -0.00 0.00 -0.00 0.00 0.00 27.41 27.09 3cx5 h HIS 97 CO -0.08 0.65 -0.11 -0.92 -0.00 0.00 0.00 177.93 177.47 3cx5 h TYR 98 N 1.01 0.34 -0.41 2.45 3.20 -0.85 -2.43 116.97 120.28 3cx5 h TYR 98 Ca 0.26 -0.10 -0.01 0.00 3.14 0.00 0.00 58.73 62.02 3cx5 h TYR 98 Cb -0.02 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.15 3cx5 h TYR 98 CO 0.00 0.69 0.22 1.49 -1.64 0.00 0.00 178.16 178.92 3cx5 h GLU 99 N -0.11 0.55 -0.42 1.82 4.57 -0.37 0.16 114.58 120.78 3cx5 h GLU 99 Ca 0.02 -0.05 -0.12 0.00 -1.18 0.00 0.00 59.36 58.03 3cx5 h GLU 99 Cb 0.63 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.09 3cx5 h GLU 99 CO 0.03 0.41 -0.23 1.49 -1.18 0.00 0.00 179.01 179.53 3cx5 h GLU 100 N 0.56 0.89 -0.45 1.92 4.81 -0.87 -1.61 114.58 119.84 3cx5 h GLU 100 Ca 0.15 -0.40 -0.09 0.00 -0.13 0.00 0.00 59.36 58.88 3cx5 h GLU 100 Cb 0.02 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 3cx5 h GLU 100 CO -0.02 1.05 -0.08 0.00 -0.73 0.00 0.00 179.01 179.22 3cx5 h ALA 102 N 0.88 0.68 -0.36 0.00 0.00 -0.56 -0.68 119.26 119.22 3cx5 h ALA 102 Ca 0.12 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3cx5 h ALA 102 Cb 0.62 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3cx5 h ALA 102 CO 0.04 0.05 0.15 1.49 0.00 0.00 0.00 179.25 180.98 3cx5 h GLU 103 N 0.66 0.53 -0.93 0.00 4.22 -1.21 0.13 114.58 117.98 3cx5 h GLU 103 Ca 0.21 -0.09 0.04 0.00 0.08 0.00 0.00 59.36 59.59 3cx5 h GLU 103 Cb -0.01 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.10 3cx5 h GLU 103 CO -0.08 0.51 0.61 -0.09 -2.18 0.00 0.00 179.01 177.78 3cx5 h ARG 104 N 0.43 1.13 -0.22 1.92 2.43 -1.02 -1.73 114.38 117.32 3cx5 h ARG 104 Ca 0.12 -0.07 -0.19 0.00 -0.81 0.00 0.00 59.98 59.04 3cx5 h ARG 104 Cb 0.17 -0.25 -0.00 0.00 -0.42 0.00 0.00 29.97 29.47 3cx5 h ARG 104 CO -0.01 0.75 -0.60 0.28 -1.51 0.00 0.00 179.97 178.88 3cx5 h VAL 105 N 1.16 1.29 -0.32 0.20 2.07 -0.78 -2.53 116.25 117.34 3cx5 h VAL 105 Ca 0.37 -1.82 0.01 0.00 0.82 0.00 0.00 66.70 66.09 3cx5 h VAL 105 Cb 0.02 1.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 3cx5 h VAL 105 CO -0.11 0.58 0.22 0.50 0.02 0.00 0.00 177.57 178.77 3cx5 h LYS 106 N 0.56 0.38 0.03 1.57 3.64 -0.22 -1.96 116.57 120.57 3cx5 h LYS 106 Ca -0.00 -0.02 -0.25 0.00 -1.27 0.00 0.00 60.65 59.11 3cx5 h LYS 106 Cb 1.19 -0.09 0.02 0.00 -0.41 0.00 0.00 32.23 32.95 3cx5 h LYS 106 CO 0.12 0.25 -0.99 0.82 -2.27 0.00 0.00 179.45 177.39 3cx5 h ILE 107 N 0.40 1.32 -0.70 2.00 2.04 -1.20 -3.21 117.51 118.16 3cx5 h ILE 107 Ca 0.12 -2.27 0.00 0.00 1.00 0.00 0.00 64.86 63.72 3cx5 h ILE 107 Cb 0.02 2.53 -0.03 0.00 -0.74 0.00 0.00 36.82 38.59 3cx5 h ILE 107 CO -0.03 0.69 0.44 1.56 0.00 0.00 0.00 178.15 180.82 3cx5 h GLN 108 N 0.23 0.93 -0.07 2.37 4.20 -0.98 -2.48 115.11 119.31 3cx5 h GLN 108 Ca -0.13 -0.07 -0.08 0.00 0.06 0.00 0.00 58.65 58.43 3cx5 h GLN 108 Cb 1.66 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 29.23 3cx5 h GLN 108 CO 0.19 0.63 -0.35 1.96 -0.67 0.00 0.00 178.83 180.59 3cx5 h GLN 109 N 0.95 0.13 0.00 1.46 4.20 -1.42 -2.78 115.11 117.65 3cx5 h GLN 109 Ca 0.25 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.88 3cx5 h GLN 109 Cb -0.08 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 3cx5 h GLN 109 CO -0.05 0.47 -0.17 1.96 -0.67 0.00 0.00 178.83 180.36 3cx5 h GLN 110 N 0.11 0.00 -7.00 1.46 4.20 -1.44 -3.45 115.11 108.99 3cx5 h GLN 110 Ca 0.01 0.00 -0.52 0.00 0.06 0.00 0.00 58.65 58.20 3cx5 h GLN 110 Cb 0.68 0.00 0.09 0.00 0.30 0.00 0.00 27.48 28.55 3cx5 h GLN 110 CO 0.05 0.17 0.56 -0.65 -0.67 0.00 0.00 178.83 178.29 3cx5 s GLN 111 N -3.54 3.62 0.16 1.46 1.11 -1.05 -4.97 119.66 116.45 3cx5 s GLN 111 Ca 0.02 2.01 -0.32 0.00 0.01 0.00 0.00 55.36 57.09 3cx5 s GLN 111 Cb 0.09 -2.45 -0.10 0.00 -1.01 0.00 0.00 33.01 29.54 3cx5 s GLN 111 CO 0.63 -0.73 1.55 -1.25 0.01 0.00 0.00 175.29 175.49 3cx5 s PRO 112 N -2.64 4.23 -0.22 2.91 0.04 -1.26 -3.29 135.00 134.76 3cx5 s PRO 112 Ca 0.64 2.33 -0.01 0.00 0.04 0.00 0.00 61.00 64.00 3cx5 s PRO 112 Cb -0.35 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 31.03 3cx5 s PRO 112 CO 0.42 -0.59 0.15 0.41 0.04 0.00 0.00 177.00 177.43 3cx5 n GLY 113 N 3.72 0.63 0.18 0.56 0.00 -1.26 -4.97 105.19 104.06 3cx5 n GLY 113 Ca 0.14 -0.58 -0.10 0.00 0.00 0.00 0.00 46.02 45.48 3cx5 n GLY 113 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3cx5 h TYR 114 N -0.34 0.58 0.00 1.61 5.03 -1.86 -3.08 116.97 118.91 3cx5 h TYR 114 Ca -0.09 -0.24 0.00 0.00 2.58 0.00 0.00 58.73 60.98 3cx5 h TYR 114 Cb 1.06 -0.09 0.00 0.00 1.55 0.00 0.00 36.73 39.24 3cx5 h TYR 114 CO 0.08 0.99 0.00 0.00 -1.32 0.00 0.00 178.16 177.90 3cx5 h ALA 115 N 0.95 1.00 -3.25 1.82 0.00 -1.93 -3.31 119.26 114.55 3cx5 h ALA 115 Ca -0.02 0.00 -0.64 0.00 0.00 0.00 0.00 54.91 54.25 3cx5 h ALA 115 Cb 1.24 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 18.63 3cx5 h ALA 115 CO 0.12 0.00 -0.58 -0.51 0.00 0.00 0.00 179.25 178.28 3cx5 s ASP 116 N -4.96 4.60 0.00 0.00 1.01 -1.16 -4.78 116.67 111.38 3cx5 s ASP 116 Ca -0.03 -3.33 0.00 0.00 0.71 0.00 0.00 52.55 49.90 3cx5 s ASP 116 Cb 0.11 -1.66 0.00 0.00 1.01 0.00 0.00 42.92 42.38 3cx5 s ASP 116 CO 0.39 -0.19 0.00 0.18 0.21 0.00 0.00 175.17 175.76 3cx5 n LEU 117 N 2.70 0.00 0.00 1.23 4.77 -1.25 -4.98 117.00 119.47 3cx5 n LEU 117 Ca 0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 3cx5 n LEU 117 Cb 0.34 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 3cx5 n LEU 117 CO 0.32 0.00 0.00 -1.84 -1.33 0.00 0.00 177.39 174.54 3cx5 n GLU 118 N -0.89 0.00 -2.61 3.23 0.28 -1.26 -4.68 120.64 114.71 3cx5 n GLU 118 Ca 0.00 0.00 -0.13 0.00 -0.16 0.00 0.00 57.16 56.87 3cx5 n GLU 118 Cb 0.00 -4.22 0.02 0.00 1.43 0.00 0.00 31.44 28.67 3cx5 n GLU 118 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 3cx5 n HIS 119 N -1.81 1.77 -2.61 -1.84 8.25 -1.26 -5.09 115.22 112.63 3cx5 n HIS 119 Ca 0.00 -2.79 -0.42 0.00 -0.26 0.00 0.00 57.72 54.24 3cx5 n HIS 119 Cb 0.00 -0.29 -0.03 0.00 1.12 0.00 0.00 29.99 30.79 3cx5 n HIS 119 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 3cx5 s LYS 120 N -3.30 4.38 0.30 -0.41 1.02 -1.26 -5.03 119.74 115.45 3cx5 s LYS 120 Ca 0.33 1.48 -0.28 0.00 0.02 0.00 0.00 55.97 57.52 3cx5 s LYS 120 Cb 0.43 -3.56 -0.09 0.00 -0.52 0.00 0.00 37.83 34.09 3cx5 s LYS 120 CO -0.02 -0.39 0.98 -2.00 -0.92 0.00 0.00 175.35 173.00 3cx5 s GLU 121 N 2.20 4.61 0.31 1.68 2.12 -1.26 -5.07 118.70 123.30 3cx5 s GLU 121 Ca 0.50 1.48 0.04 0.00 0.36 0.00 0.00 54.97 57.36 3cx5 s GLU 121 Cb -0.20 -2.97 -0.06 0.00 0.26 0.00 0.00 34.13 31.16 3cx5 s GLU 121 CO 0.18 0.28 0.04 0.16 -0.54 0.00 0.00 175.26 175.38 3cx5 s ASP 122 N -1.35 2.32 -0.36 -1.70 -4.77 -1.26 -4.94 116.67 104.61 3cx5 s ASP 122 Ca 0.48 -1.35 0.06 0.00 -3.30 0.00 0.00 52.55 48.44 3cx5 s ASP 122 Cb -0.24 -0.08 0.51 0.00 -1.09 0.00 0.00 42.92 42.03 3cx5 s ASP 122 CO 0.30 -0.58 1.55 0.00 0.70 0.00 0.00 175.17 177.13 3cx5 h VAL 124 N 1.19 1.23 -0.56 0.00 2.07 -1.98 -1.37 116.25 116.83 3cx5 h VAL 124 Ca 0.34 -0.78 0.03 0.00 0.82 0.00 0.00 66.70 67.12 3cx5 h VAL 124 Cb 1.66 1.16 -0.04 0.00 -1.52 0.00 0.00 31.29 32.54 3cx5 h VAL 124 CO 0.69 0.26 0.32 -0.08 0.02 0.00 0.00 177.57 178.78 3cx5 h GLU 125 N 0.33 0.61 -0.56 1.57 4.81 -1.99 0.31 114.58 119.66 3cx5 h GLU 125 Ca 0.09 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.20 3cx5 h GLU 125 Cb 0.33 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 3cx5 h GLU 125 CO 0.00 0.41 0.02 0.93 -0.73 0.00 0.00 179.01 179.64 3cx5 h GLU 126 N 0.63 0.97 -0.58 1.92 3.07 -1.88 -1.32 114.58 117.39 3cx5 h GLU 126 Ca 0.23 -0.30 -0.07 0.00 -0.50 0.00 0.00 59.36 58.72 3cx5 h GLU 126 Cb 0.06 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 27.86 3cx5 h GLU 126 CO -0.12 0.97 0.07 0.35 -1.40 0.00 0.00 179.01 178.88 3cx5 h PHE 127 N 0.86 1.01 -0.45 4.33 3.57 -0.61 -2.42 116.94 123.22 3cx5 h PHE 127 Ca 0.16 -0.13 -0.04 0.00 3.53 0.00 0.00 57.97 61.49 3cx5 h PHE 127 Cb 0.52 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 3cx5 h PHE 127 CO 0.04 0.87 0.13 0.74 -2.23 0.00 0.00 178.31 177.86 3cx5 h PHE 128 N 0.90 0.74 -0.85 0.41 0.05 -0.04 -0.01 116.94 118.14 3cx5 h PHE 128 Ca 0.18 -0.08 0.03 0.00 3.82 0.00 0.00 57.97 61.92 3cx5 h PHE 128 Cb 0.42 -0.21 -0.05 0.00 2.00 0.00 0.00 35.95 38.11 3cx5 h PHE 128 CO 0.03 0.67 0.55 0.45 -0.18 0.00 0.00 178.31 179.82 3cx5 h HIS 129 N 0.60 1.03 0.10 -0.55 3.86 -1.05 0.24 115.15 119.38 3cx5 h HIS 129 Ca 0.15 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.38 3cx5 h HIS 129 Cb 0.28 -0.34 0.00 0.00 1.06 0.00 0.00 27.41 28.41 3cx5 h HIS 129 CO 0.02 0.60 -0.05 1.25 0.86 0.00 0.00 177.93 180.61 3cx5 h LEU 130 N 1.07 -0.12 -0.89 2.43 7.12 -1.17 -2.61 115.31 121.15 3cx5 h LEU 130 Ca 0.33 -0.26 -0.02 0.00 0.13 0.00 0.00 57.88 58.06 3cx5 h LEU 130 Cb -0.02 0.03 -0.04 0.00 -0.53 0.00 0.00 40.66 40.10 3cx5 h LEU 130 CO -0.11 0.20 0.47 -0.61 -0.13 0.00 0.00 178.44 178.26 3cx5 h GLN 131 N -0.45 1.25 -0.58 1.25 5.75 -0.68 -1.69 115.11 119.96 3cx5 h GLN 131 Ca -0.01 -0.16 0.00 0.00 -0.15 0.00 0.00 58.65 58.33 3cx5 h GLN 131 Cb 0.37 -0.24 -0.03 0.00 1.07 0.00 0.00 27.48 28.65 3cx5 h GLN 131 CO 0.02 0.93 0.38 1.25 -2.65 0.00 0.00 178.83 178.75 3cx5 h HIS 132 N 1.25 0.74 -0.33 3.99 2.76 -0.52 0.18 115.15 123.22 3cx5 h HIS 132 Ca 0.31 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.48 3cx5 h HIS 132 Cb 0.05 -0.25 -0.02 0.00 1.55 0.00 0.00 27.41 28.75 3cx5 h HIS 132 CO 0.01 0.48 0.18 -0.92 -1.30 0.00 0.00 177.93 176.38 3cx5 h TYR 133 N 0.79 0.46 -0.51 5.26 3.20 -1.08 -0.32 116.97 124.76 3cx5 h TYR 133 Ca 0.21 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.06 3cx5 h TYR 133 Cb -0.07 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.03 3cx5 h TYR 133 CO -0.03 0.37 0.29 -0.07 -1.64 0.00 0.00 178.16 177.08 3cx5 h LEU 134 N 0.41 0.63 -0.82 2.82 3.38 -0.82 -2.68 115.31 118.23 3cx5 h LEU 134 Ca 0.12 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3cx5 h LEU 134 Cb 0.07 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 3cx5 h LEU 134 CO -0.02 0.53 0.52 0.44 0.09 0.00 0.00 178.44 180.00 3cx5 h ASP 135 N 0.68 0.96 0.01 -0.43 3.32 -0.41 0.20 116.42 120.74 3cx5 h ASP 135 Ca 0.18 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 3cx5 h ASP 135 Cb 0.03 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.34 3cx5 h ASP 135 CO -0.03 0.72 -0.02 0.74 -1.72 0.00 0.00 179.24 178.93 3cx5 h THR 136 N 1.12 1.04 0.09 0.35 2.02 -0.75 -0.36 112.91 116.43 3cx5 h THR 136 Ca 0.30 -0.17 -0.36 0.00 0.77 0.00 0.00 66.41 66.94 3cx5 h THR 136 Cb -0.09 1.04 -0.03 0.00 -1.74 0.00 0.00 68.15 67.33 3cx5 h THR 136 CO -0.06 0.05 -2.05 0.00 0.37 0.00 0.00 175.52 173.83 3cx5 n ALA 137 N -2.53 1.03 0.05 6.16 0.00 -0.86 -4.48 120.51 119.88 3cx5 n ALA 137 Ca -0.02 -0.69 -0.06 0.00 0.00 0.00 0.00 53.44 52.67 3cx5 n ALA 137 Cb 0.13 -0.60 -0.11 0.00 0.00 0.00 0.00 19.45 18.87 3cx5 n ALA 137 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3cx5 h THR 138 N 0.05 1.31 -0.19 0.00 1.35 -0.54 -3.37 112.91 111.52 3cx5 h THR 138 Ca -0.44 -3.01 0.03 0.00 -0.55 0.00 0.00 66.41 62.45 3cx5 h THR 138 Cb 2.02 2.64 -0.03 0.00 -1.73 0.00 0.00 68.15 71.04 3cx5 h THR 138 CO 0.06 0.75 -0.02 0.00 -0.25 0.00 0.00 175.52 176.06 3cx5 h ALA 139 N 1.08 0.15 0.00 6.62 0.00 -1.27 0.65 119.26 126.49 3cx5 h ALA 139 Ca -0.09 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3cx5 h ALA 139 Cb 1.78 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.68 3cx5 h ALA 139 CO 0.10 -0.46 0.00 -0.35 0.00 0.00 0.00 179.25 178.55 3cx5 n PRO 140 N -5.16 0.02 -0.07 0.00 -0.04 -1.26 -3.83 135.00 124.65 3cx5 n PRO 140 Ca -0.03 0.12 -0.07 0.00 -0.04 0.00 0.00 63.50 63.48 3cx5 n PRO 140 Cb 0.11 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 31.96 3cx5 n PRO 140 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3cx5 n ARG 141 N -1.49 1.60 -0.08 0.54 1.74 -0.96 -4.77 116.66 113.24 3cx5 n ARG 141 Ca 0.06 -0.01 -0.07 0.00 -0.77 0.00 0.00 57.85 57.06 3cx5 n ARG 141 Cb 0.26 -1.37 -0.01 0.00 -1.02 0.00 0.00 32.46 30.31 3cx5 n ARG 141 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3cx5 h LEU 142 N 0.00 -0.81 -2.31 0.55 5.85 -0.98 -2.94 115.31 114.66 3cx5 h LEU 142 Ca -0.40 0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.47 3cx5 h LEU 142 Cb 1.90 0.40 -0.00 0.00 0.37 0.00 0.00 40.66 43.32 3cx5 h LEU 142 CO 0.02 -0.27 -0.04 -0.26 -0.34 0.00 0.00 178.44 177.54 3cx5 h PHE 143 N -0.21 0.00 0.00 1.25 -1.00 -1.86 0.11 116.94 115.23 3cx5 h PHE 143 Ca 0.16 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.94 3cx5 h PHE 143 Cb 0.47 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.03 3cx5 h PHE 143 CO -0.44 0.04 -0.03 -0.44 -1.61 0.00 0.00 178.31 175.83 3cx5 h ASP 144 N 0.00 0.00 0.53 2.17 3.45 -1.83 -1.79 116.42 118.95 3cx5 h ASP 144 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3cx5 h ASP 144 Cb 0.12 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.89 3cx5 h ASP 144 CO 0.01 0.03 -0.71 0.29 -1.57 0.00 0.00 179.24 177.29 3cx5 n LYS 145 N -3.17 0.15 -3.45 3.56 4.76 0.02 -4.95 118.16 115.08 3cx5 n LYS 145 Ca -0.01 0.02 -0.19 0.00 -2.87 0.00 0.00 58.31 55.26 3cx5 n LYS 145 Cb 0.25 -1.57 -0.01 0.00 -1.84 0.00 0.00 35.03 31.86 3cx5 n LYS 145 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3cx5 s LEU 146 N -3.54 3.89 0.00 -0.35 1.43 -0.67 -5.02 118.68 114.41 3cx5 s LEU 146 Ca 0.08 -0.26 0.27 0.00 -1.03 0.00 0.00 54.13 53.19 3cx5 s LEU 146 Cb 0.16 -2.68 0.81 0.00 0.03 0.00 0.00 46.19 44.51 3cx5 s LEU 146 CO 0.74 -0.47 1.61 1.17 0.23 0.00 0.00 176.35 179.64