#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cxh s THR 75 N 0.00 4.88 -0.19 2.52 -1.32 -1.26 -4.99 115.64 115.27 3cxh s THR 75 Ca 0.00 0.37 -0.35 0.00 -1.21 0.00 0.00 61.69 60.50 3cxh s THR 75 Cb 0.00 -3.76 -0.12 0.00 -1.51 0.00 0.00 72.50 67.11 3cxh s THR 75 CO 0.00 -0.53 1.97 -0.67 -2.21 0.00 0.00 174.62 173.17 3cxh n ASP 76 N -1.40 2.96 -0.27 8.08 2.03 -1.26 -4.87 116.55 121.82 3cxh n ASP 76 Ca 0.01 0.78 0.07 0.00 0.52 0.00 0.00 54.79 56.17 3cxh n ASP 76 Cb 0.54 -1.33 0.30 0.00 -0.72 0.00 0.00 41.12 39.92 3cxh n ASP 76 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 3cxh h GLN 77 N 10.21 0.84 -0.08 -0.67 7.50 -1.94 -1.80 115.11 129.18 3cxh h GLN 77 Ca -0.42 -0.05 -0.06 0.00 0.50 0.00 0.00 58.65 58.62 3cxh h GLN 77 Cb 1.29 -0.19 0.00 0.00 0.05 0.00 0.00 27.48 28.63 3cxh h GLN 77 CO 0.97 0.56 -0.18 1.25 -1.50 0.00 0.00 178.83 179.93 3cxh h LEU 78 N 0.87 0.29 -1.93 1.46 5.85 -1.94 -1.77 115.31 118.14 3cxh h LEU 78 Ca 0.39 -0.58 -0.01 0.00 0.84 0.00 0.00 57.88 58.52 3cxh h LEU 78 Cb 0.36 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.31 3cxh h LEU 78 CO -0.16 0.82 -0.04 -0.33 -0.34 0.00 0.00 178.44 178.39 3cxh h GLU 79 N -0.23 0.00 -0.14 1.25 5.08 -1.92 -0.82 114.58 117.80 3cxh h GLU 79 Ca -0.00 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.16 3cxh h GLU 79 Cb 0.78 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.04 3cxh h GLU 79 CO 0.04 0.04 -0.69 0.22 -1.00 0.00 0.00 179.01 177.62 3cxh h ASP 80 N 0.00 0.86 0.01 1.42 1.82 -1.21 -2.15 116.42 117.18 3cxh h ASP 80 Ca -0.00 -0.63 -0.21 0.00 -0.39 0.00 0.00 57.03 55.80 3cxh h ASP 80 Cb 0.36 -0.25 0.01 0.00 0.68 0.00 0.00 39.33 40.12 3cxh h ASP 80 CO 0.01 1.35 -0.78 -0.07 -1.61 0.00 0.00 179.24 178.13 3cxh h LEU 81 N 0.43 0.78 -1.20 2.28 3.38 -0.54 -2.73 115.31 117.70 3cxh h LEU 81 Ca -0.05 -0.52 -0.07 0.00 0.09 0.00 0.00 57.88 57.33 3cxh h LEU 81 Cb 1.33 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 3cxh h LEU 81 CO 0.14 1.30 -0.24 0.03 0.09 0.00 0.00 178.44 179.76 3cxh h ARG 82 N 0.44 0.25 -0.06 1.13 3.08 -1.18 -1.66 114.38 116.37 3cxh h ARG 82 Ca -0.05 -0.08 -0.03 0.00 0.07 0.00 0.00 59.98 59.89 3cxh h ARG 82 Cb 1.40 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 31.42 3cxh h ARG 82 CO 0.15 0.48 -0.07 1.49 -1.07 0.00 0.00 179.97 180.95 3cxh h GLU 83 N 0.22 0.16 -0.58 0.04 4.57 -1.36 -1.75 114.58 115.89 3cxh h GLU 83 Ca 0.04 -0.09 0.07 0.00 -1.18 0.00 0.00 59.36 58.20 3cxh h GLU 83 Cb 0.56 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 29.09 3cxh h GLU 83 CO 0.04 0.62 0.26 1.25 -1.18 0.00 0.00 179.01 180.00 3cxh h HIS 84 N -0.29 0.47 0.00 0.92 2.76 -1.26 -2.49 115.15 115.27 3cxh h HIS 84 Ca 0.01 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 3cxh h HIS 84 Cb 0.59 -0.13 0.00 0.00 1.55 0.00 0.00 27.41 29.43 3cxh h HIS 84 CO 0.10 0.19 0.00 0.74 -1.30 0.00 0.00 177.93 177.65 3cxh h PHE 85 N 0.49 0.00 0.00 5.26 -1.00 -1.28 -2.35 116.94 118.06 3cxh h PHE 85 Ca 0.27 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.05 3cxh h PHE 85 Cb 0.25 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.81 3cxh h PHE 85 CO -0.13 0.00 0.00 1.63 -1.61 0.00 0.00 178.31 178.20 3cxh n LYS 86 N -2.32 0.25 0.00 1.51 5.02 -0.66 -3.24 118.16 118.71 3cxh n LYS 86 Ca 0.05 0.30 0.13 0.00 -2.02 0.00 0.00 58.31 56.77 3cxh n LYS 86 Cb 0.40 -1.85 0.34 0.00 -0.02 0.00 0.00 35.03 33.90 3cxh n LYS 86 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3cxh n ASN 87 N -2.30 1.81 -4.78 4.39 3.02 -0.89 -2.29 115.26 114.23 3cxh n ASN 87 Ca 0.04 -1.50 -0.26 0.00 -0.03 0.00 0.00 54.58 52.83 3cxh n ASN 87 Cb 0.36 0.07 0.09 0.00 -0.61 0.00 0.00 39.78 39.70 3cxh n ASN 87 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3cxh s THR 88 N -2.15 2.19 0.13 3.41 -4.23 -1.20 -4.76 115.64 109.02 3cxh s THR 88 Ca 0.31 -0.24 -0.23 0.00 -1.18 0.00 0.00 61.69 60.35 3cxh s THR 88 Cb 0.20 -2.95 -0.03 0.00 1.34 0.00 0.00 72.50 71.06 3cxh s THR 88 CO 0.39 0.00 1.66 -0.33 -0.54 0.00 0.00 174.62 175.80 3cxh h GLU 89 N -0.80 -0.23 -0.54 3.99 4.39 -1.92 0.21 114.58 119.69 3cxh h GLU 89 Ca -0.44 0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.29 3cxh h GLU 89 Cb 1.30 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.97 3cxh h GLU 89 CO 0.55 -0.15 0.35 1.49 -1.16 0.00 0.00 179.01 180.09 3cxh h GLU 90 N -0.24 0.69 0.32 2.33 4.57 -1.93 -1.16 114.58 119.15 3cxh h GLU 90 Ca 0.08 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.21 3cxh h GLU 90 Cb 0.36 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 28.80 3cxh h GLU 90 CO -0.23 0.46 -0.16 0.78 -1.18 0.00 0.00 179.01 178.67 3cxh h GLY 91 N 0.71 -0.46 0.83 1.92 0.00 -1.52 -0.89 103.07 103.65 3cxh h GLY 91 Ca 0.20 0.18 0.07 0.00 0.00 0.00 0.00 47.33 47.78 3cxh h GLY 91 CO -0.05 -0.17 0.58 0.50 0.00 0.00 0.00 176.54 177.40 3cxh h LYS 92 N -0.44 0.96 -0.40 4.80 1.57 -0.16 -1.03 116.57 121.87 3cxh h LYS 92 Ca -0.04 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.63 3cxh h LYS 92 Cb 0.34 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 3cxh h LYS 92 CO 0.06 0.63 0.03 0.00 -0.57 0.00 0.00 179.45 179.61 3cxh h ALA 93 N 1.52 0.53 -0.47 3.86 0.00 -0.85 -2.06 119.26 121.79 3cxh h ALA 93 Ca 0.39 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 3cxh h ALA 93 Cb 0.25 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3cxh h ALA 93 CO -0.15 0.27 -0.14 -0.07 0.00 0.00 0.00 179.25 179.15 3cxh h LEU 94 N 0.51 0.94 -1.22 0.00 4.07 -0.41 -1.63 115.31 117.57 3cxh h LEU 94 Ca 0.12 -0.37 -0.08 0.00 0.08 0.00 0.00 57.88 57.63 3cxh h LEU 94 Cb 0.42 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 41.89 3cxh h LEU 94 CO 0.01 1.10 -0.37 -0.37 -1.08 0.00 0.00 178.44 177.73 3cxh h VAL 95 N 0.77 1.11 -0.11 1.22 -1.51 -1.20 -1.83 116.25 114.70 3cxh h VAL 95 Ca 0.11 -1.33 -0.01 0.00 -1.23 0.00 0.00 66.70 64.25 3cxh h VAL 95 Cb 0.70 1.75 -0.00 0.00 -2.13 0.00 0.00 31.29 31.61 3cxh h VAL 95 CO 0.05 0.36 0.03 -0.74 -1.23 0.00 0.00 177.57 176.04 3cxh h HIS 96 N 0.00 0.18 -0.89 5.19 -0.00 -1.02 0.32 115.15 118.93 3cxh h HIS 96 Ca -0.00 -0.02 0.01 0.00 -0.00 0.00 0.00 60.37 60.35 3cxh h HIS 96 Cb 0.72 -0.05 -0.04 0.00 -0.00 0.00 0.00 27.41 28.03 3cxh h HIS 96 CO 0.00 0.33 0.58 0.45 -0.00 0.00 0.00 177.93 179.29 3cxh h HIS 97 N -0.02 1.13 -0.40 5.26 -0.00 -1.03 0.11 115.15 120.19 3cxh h HIS 97 Ca 0.03 0.02 -0.13 0.00 -0.00 0.00 0.00 60.37 60.29 3cxh h HIS 97 Cb 0.24 -0.38 -0.01 0.00 -0.00 0.00 0.00 27.41 27.26 3cxh h HIS 97 CO 0.00 0.72 -0.27 -0.92 -0.00 0.00 0.00 177.93 177.47 3cxh h TYR 98 N 1.21 1.04 -0.72 2.45 3.20 -1.08 -2.87 116.97 120.20 3cxh h TYR 98 Ca 0.32 -0.28 -0.02 0.00 3.14 0.00 0.00 58.73 61.90 3cxh h TYR 98 Cb -0.12 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 37.89 3cxh h TYR 98 CO 0.00 1.08 0.38 1.49 -1.64 0.00 0.00 178.16 179.47 3cxh h GLU 99 N 0.70 1.02 -0.63 1.82 4.57 0.57 0.05 114.58 122.69 3cxh h GLU 99 Ca 0.08 -0.13 -0.04 0.00 -1.18 0.00 0.00 59.36 58.09 3cxh h GLU 99 Cb 0.84 -0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 29.21 3cxh h GLU 99 CO 0.07 0.77 0.24 1.49 -1.18 0.00 0.00 179.01 180.41 3cxh h GLU 100 N 1.00 0.93 -0.22 1.92 4.81 -0.79 -1.58 114.58 120.65 3cxh h GLU 100 Ca 0.25 -0.15 -0.06 0.00 -0.13 0.00 0.00 59.36 59.27 3cxh h GLU 100 Cb 0.07 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 3cxh h GLU 100 CO -0.04 0.77 -0.09 0.00 -0.73 0.00 0.00 179.01 178.92 3cxh h ALA 102 N 0.72 1.37 0.07 0.00 0.00 -0.60 0.12 119.26 120.95 3cxh h ALA 102 Ca 0.05 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3cxh h ALA 102 Cb 0.58 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3cxh h ALA 102 CO 0.03 0.34 -0.04 1.49 0.00 0.00 0.00 179.25 181.08 3cxh h GLU 103 N 1.08 -0.10 -0.89 0.00 4.81 -1.21 -0.68 114.58 117.58 3cxh h GLU 103 Ca 0.43 0.01 0.15 0.00 -0.13 0.00 0.00 59.36 59.82 3cxh h GLU 103 Cb 0.25 0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.58 3cxh h GLU 103 CO -0.20 0.27 0.57 -0.09 -0.73 0.00 0.00 179.01 178.84 3cxh h ARG 104 N -0.48 0.65 -0.19 1.92 2.43 -0.83 -1.03 114.38 116.83 3cxh h ARG 104 Ca -0.01 -0.04 -0.15 0.00 -0.81 0.00 0.00 59.98 58.97 3cxh h ARG 104 Cb 0.41 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 3cxh h ARG 104 CO 0.02 0.43 -0.45 0.28 -1.51 0.00 0.00 179.97 178.73 3cxh h VAL 105 N 0.66 1.32 -0.46 0.20 2.07 -0.83 -2.87 116.25 116.34 3cxh h VAL 105 Ca 0.45 -1.69 0.05 0.00 0.82 0.00 0.00 66.70 66.33 3cxh h VAL 105 Cb 0.76 1.89 -0.04 0.00 -1.52 0.00 0.00 31.29 32.38 3cxh h VAL 105 CO -0.21 0.52 0.21 0.50 0.02 0.00 0.00 177.57 178.62 3cxh h LYS 106 N 0.33 0.40 -0.08 1.57 3.64 0.12 -1.68 116.57 120.88 3cxh h LYS 106 Ca -0.00 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.30 3cxh h LYS 106 Cb 1.06 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.78 3cxh h LYS 106 CO 0.10 0.27 -0.19 0.82 -2.27 0.00 0.00 179.45 178.18 3cxh h ILE 107 N 0.41 1.18 -0.21 2.00 2.04 -1.33 -2.32 117.51 119.29 3cxh h ILE 107 Ca 0.21 -0.82 -0.16 0.00 1.00 0.00 0.00 64.86 65.10 3cxh h ILE 107 Cb 0.16 1.33 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 3cxh h ILE 107 CO -0.17 0.24 -0.51 1.56 0.00 0.00 0.00 178.15 179.27 3cxh h GLN 108 N 0.12 0.59 0.00 2.37 4.20 -1.10 -3.00 115.11 118.28 3cxh h GLN 108 Ca 0.02 -0.35 -0.11 0.00 0.06 0.00 0.00 58.65 58.27 3cxh h GLN 108 Cb 0.41 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.21 3cxh h GLN 108 CO 0.03 0.96 -0.51 1.96 -0.67 0.00 0.00 178.83 180.60 3cxh h GLN 109 N 0.46 0.00 -0.02 1.46 4.20 -0.81 -3.12 115.11 117.28 3cxh h GLN 109 Ca 0.02 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.52 3cxh h GLN 109 Cb 1.05 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.83 3cxh h GLN 109 CO 0.10 0.51 -0.87 1.96 -0.67 0.00 0.00 178.83 179.86 3cxh h GLN 110 N 0.00 0.37 -6.96 1.46 4.20 -1.42 -3.46 115.11 109.29 3cxh h GLN 110 Ca -0.01 -0.37 -0.54 0.00 0.06 0.00 0.00 58.65 57.80 3cxh h GLN 110 Cb 0.92 0.10 0.11 0.00 0.30 0.00 0.00 27.48 28.90 3cxh h GLN 110 CO 0.07 1.04 0.72 -0.65 -0.67 0.00 0.00 178.83 179.33 3cxh s GLN 111 N -3.35 3.93 0.25 1.46 -0.21 -1.14 -4.96 119.66 115.64 3cxh s GLN 111 Ca -0.05 2.44 -0.30 0.00 0.02 0.00 0.00 55.36 57.47 3cxh s GLN 111 Cb 0.09 -2.82 -0.09 0.00 1.00 0.00 0.00 33.01 31.19 3cxh s GLN 111 CO 0.85 -0.63 1.29 -1.25 -2.12 0.00 0.00 175.29 173.44 3cxh s PRO 112 N -2.24 4.40 0.00 2.91 0.04 -1.26 -3.37 135.00 135.48 3cxh s PRO 112 Ca 0.56 2.09 0.00 0.00 0.04 0.00 0.00 61.00 63.69 3cxh s PRO 112 Cb -0.44 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 30.95 3cxh s PRO 112 CO 0.58 -0.19 0.00 0.41 0.04 0.00 0.00 177.00 177.84 3cxh n GLY 113 N 1.73 0.44 0.17 0.56 0.00 -1.26 -4.99 105.19 101.84 3cxh n GLY 113 Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 3cxh n GLY 113 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3cxh h TYR 114 N 0.00 -0.31 -1.77 1.61 5.03 -1.83 -2.89 116.97 116.80 3cxh h TYR 114 Ca 0.00 0.01 0.52 0.00 2.58 0.00 0.00 58.73 61.84 3cxh h TYR 114 Cb 0.00 0.15 -0.07 0.00 1.55 0.00 0.00 36.73 38.36 3cxh h TYR 114 CO 0.00 -0.19 1.27 0.00 -1.32 0.00 0.00 178.16 177.93 3cxh h ALA 115 N 0.84 3.67 -2.80 1.82 0.00 -1.93 -3.02 119.26 117.83 3cxh h ALA 115 Ca 0.07 -0.06 -0.61 0.00 0.00 0.00 0.00 54.91 54.31 3cxh h ALA 115 Cb 0.27 0.14 -0.41 0.00 0.00 0.00 0.00 17.79 17.79 3cxh h ALA 115 CO -0.17 -2.18 -0.68 -0.25 0.00 0.00 0.00 179.25 175.97 3cxh n ASP 116 N -4.02 2.26 0.00 0.00 8.00 -1.09 -4.74 116.55 116.97 3cxh n ASP 116 Ca 0.40 -3.04 0.00 0.00 0.71 0.00 0.00 54.79 52.86 3cxh n ASP 116 Cb 1.82 -0.70 0.00 0.00 -0.02 0.00 0.00 41.12 42.22 3cxh n ASP 116 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3cxh n LEU 117 N 2.00 0.00 -1.17 0.64 4.77 -1.14 -5.04 117.00 117.06 3cxh n LEU 117 Ca 0.23 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.21 3cxh n LEU 117 Cb 0.39 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.48 3cxh n LEU 117 CO 0.24 0.00 -0.01 -1.84 -1.33 0.00 0.00 177.39 174.45 3cxh n GLU 118 N -0.63 -1.21 -2.77 3.23 -0.00 -1.26 -4.60 120.64 113.39 3cxh n GLU 118 Ca 0.00 0.04 -0.01 0.00 -0.00 0.00 0.00 57.16 57.19 3cxh n GLU 118 Cb 0.05 -4.10 0.08 0.00 -0.00 0.00 0.00 31.44 27.47 3cxh n GLU 118 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 3cxh n HIS 119 N -1.20 0.00 -2.47 -1.84 8.25 -1.26 -5.13 115.22 111.57 3cxh n HIS 119 Ca -0.01 -2.01 -0.39 0.00 -0.26 0.00 0.00 57.72 55.05 3cxh n HIS 119 Cb 0.07 0.44 -0.04 0.00 1.12 0.00 0.00 29.99 31.58 3cxh n HIS 119 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 3cxh s LYS 120 N -2.31 4.48 0.10 -0.41 1.02 -1.26 -5.04 119.74 116.32 3cxh s LYS 120 Ca 0.21 1.74 -0.25 0.00 0.02 0.00 0.00 55.97 57.69 3cxh s LYS 120 Cb 0.37 -2.99 -0.07 0.00 -0.52 0.00 0.00 37.83 34.62 3cxh s LYS 120 CO -0.07 0.08 0.76 -2.00 -0.92 0.00 0.00 175.35 173.20 3cxh s GLU 121 N -1.77 4.52 0.46 1.68 2.12 -1.26 -5.08 118.70 119.36 3cxh s GLU 121 Ca 0.49 1.09 0.03 0.00 0.36 0.00 0.00 54.97 56.94 3cxh s GLU 121 Cb -0.30 -3.31 -0.04 0.00 0.26 0.00 0.00 34.13 30.75 3cxh s GLU 121 CO 0.38 0.44 0.02 0.16 -0.54 0.00 0.00 175.26 175.72 3cxh s ASP 122 N -0.63 3.81 -0.21 -1.70 -4.77 -1.26 -4.92 116.67 106.98 3cxh s ASP 122 Ca 0.37 -1.55 0.12 0.00 -3.30 0.00 0.00 52.55 48.18 3cxh s ASP 122 Cb -0.22 0.20 0.43 0.00 -1.09 0.00 0.00 42.92 42.24 3cxh s ASP 122 CO 0.24 -0.72 1.21 0.00 0.70 0.00 0.00 175.17 176.60 3cxh h VAL 124 N 1.63 1.21 0.32 0.00 2.07 -1.98 0.37 116.25 119.87 3cxh h VAL 124 Ca 0.03 -0.61 -0.00 0.00 0.82 0.00 0.00 66.70 66.94 3cxh h VAL 124 Cb 1.14 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 3cxh h VAL 124 CO 0.11 0.24 -0.27 -0.08 0.02 0.00 0.00 177.57 177.59 3cxh h GLU 125 N 0.74 -0.58 -0.68 1.57 4.81 -1.99 0.60 114.58 119.05 3cxh h GLU 125 Ca 0.19 0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.45 3cxh h GLU 125 Cb 0.15 0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.63 3cxh h GLU 125 CO -0.02 -0.39 0.38 0.93 -0.73 0.00 0.00 179.01 179.18 3cxh h GLU 126 N -0.60 0.94 -0.38 1.92 3.07 -1.88 -1.07 114.58 116.58 3cxh h GLU 126 Ca -0.02 -0.10 -0.06 0.00 -0.50 0.00 0.00 59.36 58.68 3cxh h GLU 126 Cb 0.54 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 28.24 3cxh h GLU 126 CO -0.03 0.69 0.00 0.35 -1.40 0.00 0.00 179.01 178.62 3cxh h PHE 127 N 0.95 0.73 -0.94 4.33 3.57 -0.41 -2.78 116.94 122.39 3cxh h PHE 127 Ca 0.24 -0.13 -0.00 0.00 3.53 0.00 0.00 57.97 61.62 3cxh h PHE 127 Cb 0.02 -0.19 -0.05 0.00 2.79 0.00 0.00 35.95 38.52 3cxh h PHE 127 CO 0.01 0.76 0.58 0.74 -2.23 0.00 0.00 178.31 178.16 3cxh h PHE 128 N 0.49 1.22 -0.73 0.41 0.05 0.11 0.76 116.94 119.24 3cxh h PHE 128 Ca 0.11 0.01 -0.01 0.00 3.82 0.00 0.00 57.97 61.89 3cxh h PHE 128 Cb 0.47 -0.40 -0.03 0.00 2.00 0.00 0.00 35.95 37.98 3cxh h PHE 128 CO 0.04 0.80 0.41 0.45 -0.18 0.00 0.00 178.31 179.82 3cxh h HIS 129 N 1.29 1.00 0.33 -0.55 3.86 -1.17 0.32 115.15 120.23 3cxh h HIS 129 Ca 0.34 -0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.51 3cxh h HIS 129 Cb -0.08 -0.32 0.00 0.00 1.06 0.00 0.00 27.41 28.07 3cxh h HIS 129 CO 0.00 0.70 -0.16 1.25 0.86 0.00 0.00 177.93 180.59 3cxh h LEU 130 N 1.01 -0.38 -1.35 2.43 6.46 -1.13 -2.15 115.31 120.20 3cxh h LEU 130 Ca 0.26 -0.13 0.05 0.00 -0.12 0.00 0.00 57.88 57.94 3cxh h LEU 130 Cb 0.03 0.10 -0.04 0.00 -0.73 0.00 0.00 40.66 40.01 3cxh h LEU 130 CO -0.04 -0.08 0.47 -0.61 -0.62 0.00 0.00 178.44 177.56 3cxh h GLN 131 N -0.70 0.79 -0.58 1.25 5.75 -0.69 -1.28 115.11 119.65 3cxh h GLN 131 Ca -0.05 -0.05 -0.09 0.00 -0.15 0.00 0.00 58.65 58.31 3cxh h GLN 131 Cb 0.48 -0.18 -0.02 0.00 1.07 0.00 0.00 27.48 28.83 3cxh h GLN 131 CO 0.08 0.52 -0.00 1.25 -2.65 0.00 0.00 178.83 178.02 3cxh h HIS 132 N 0.82 1.13 -0.04 3.99 2.76 -0.28 0.85 115.15 124.38 3cxh h HIS 132 Ca 0.30 -0.20 -0.00 0.00 -2.20 0.00 0.00 60.37 58.27 3cxh h HIS 132 Cb 0.15 -0.29 -0.00 0.00 1.55 0.00 0.00 27.41 28.82 3cxh h HIS 132 CO -0.00 1.00 0.02 -0.92 -1.30 0.00 0.00 177.93 176.74 3cxh h TYR 133 N 0.92 0.06 -0.39 5.26 3.20 -0.63 -1.49 116.97 123.89 3cxh h TYR 133 Ca 0.16 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.05 3cxh h TYR 133 Cb 0.56 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.78 3cxh h TYR 133 CO 0.04 0.13 0.22 -0.07 -1.64 0.00 0.00 178.16 176.84 3cxh h LEU 134 N -0.03 0.35 -0.44 2.82 3.38 -1.05 -2.64 115.31 117.71 3cxh h LEU 134 Ca 0.02 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.03 3cxh h LEU 134 Cb 0.09 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 3cxh h LEU 134 CO -0.00 0.26 0.22 0.44 0.09 0.00 0.00 178.44 179.44 3cxh h ASP 135 N 0.45 0.31 -0.54 -0.43 3.32 -0.70 0.21 116.42 119.05 3cxh h ASP 135 Ca 0.16 0.02 0.05 0.00 0.02 0.00 0.00 57.03 57.29 3cxh h ASP 135 Cb 0.02 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.51 3cxh h ASP 135 CO -0.08 0.22 0.36 0.74 -1.72 0.00 0.00 179.24 178.76 3cxh h THR 136 N 0.44 1.01 0.12 0.35 2.02 -1.03 0.11 112.91 115.93 3cxh h THR 136 Ca 0.19 -0.18 -0.31 0.00 0.77 0.00 0.00 66.41 66.87 3cxh h THR 136 Cb 0.10 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 66.93 3cxh h THR 136 CO -0.14 0.10 -1.63 0.00 0.37 0.00 0.00 175.52 174.22 3cxh h ALA 137 N 1.70 0.26 0.01 6.16 0.00 -1.08 -3.40 119.26 122.91 3cxh h ALA 137 Ca 0.23 -1.20 -0.21 0.00 0.00 0.00 0.00 54.91 53.73 3cxh h ALA 137 Cb 0.24 0.57 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 3cxh h ALA 137 CO -0.06 0.99 -0.91 1.79 0.00 0.00 0.00 179.25 181.06 3cxh h THR 138 N -0.19 1.47 -0.39 0.00 1.35 -0.44 -3.37 112.91 111.34 3cxh h THR 138 Ca -0.35 -2.58 0.07 0.00 -0.55 0.00 0.00 66.41 63.00 3cxh h THR 138 Cb 1.86 2.46 -0.07 0.00 -1.73 0.00 0.00 68.15 70.68 3cxh h THR 138 CO 0.06 0.76 -0.04 0.00 -0.25 0.00 0.00 175.52 176.05 3cxh h ALA 139 N 0.89 0.31 0.00 6.62 0.00 -0.98 -1.09 119.26 125.02 3cxh h ALA 139 Ca -0.06 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3cxh h ALA 139 Cb 1.54 0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.57 3cxh h ALA 139 CO 0.14 -0.42 0.00 -0.35 0.00 0.00 0.00 179.25 178.62 3cxh n PRO 140 N -5.24 0.49 -0.07 0.00 -0.04 -1.26 -4.03 135.00 124.85 3cxh n PRO 140 Ca 0.02 0.02 -0.08 0.00 -0.04 0.00 0.00 63.50 63.42 3cxh n PRO 140 Cb 0.21 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.08 3cxh n PRO 140 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3cxh n ARG 141 N -1.23 1.32 -0.18 0.54 1.74 -0.80 -4.77 116.66 113.28 3cxh n ARG 141 Ca 0.15 0.03 -0.02 0.00 -0.77 0.00 0.00 57.85 57.24 3cxh n ARG 141 Cb 0.19 -1.33 0.05 0.00 -1.02 0.00 0.00 32.46 30.36 3cxh n ARG 141 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3cxh h LEU 142 N 0.00 -0.48 -1.56 0.55 5.85 -1.36 -2.61 115.31 115.71 3cxh h LEU 142 Ca -0.35 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.53 3cxh h LEU 142 Cb 1.70 0.33 0.00 0.00 0.37 0.00 0.00 40.66 43.05 3cxh h LEU 142 CO -0.01 -0.17 0.00 -0.26 -0.34 0.00 0.00 178.44 177.66 3cxh h PHE 143 N 0.02 0.00 0.00 1.25 -1.00 -1.86 -0.73 116.94 114.62 3cxh h PHE 143 Ca 0.27 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 61.03 3cxh h PHE 143 Cb 0.41 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.97 3cxh h PHE 143 CO -0.44 0.00 -0.07 -0.44 -1.61 0.00 0.00 178.31 175.74 3cxh h ASP 144 N 0.00 0.00 -0.49 2.17 3.45 -1.79 -2.93 116.42 116.83 3cxh h ASP 144 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3cxh h ASP 144 Cb 0.18 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.95 3cxh h ASP 144 CO 0.00 0.07 0.00 0.29 -1.57 0.00 0.00 179.24 178.03 3cxh n LYS 145 N -3.14 2.89 -4.19 3.56 4.76 -0.28 -4.93 118.16 116.83 3cxh n LYS 145 Ca 0.02 -2.08 -0.12 0.00 -2.87 0.00 0.00 58.31 53.26 3cxh n LYS 145 Cb 0.47 -1.68 -0.10 0.00 -1.84 0.00 0.00 35.03 31.88 3cxh n LYS 145 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3cxh s LEU 146 N -1.41 2.49 0.00 -0.35 1.43 -1.11 -4.93 118.68 114.80 3cxh s LEU 146 Ca 0.37 -0.95 0.30 0.00 -1.03 0.00 0.00 54.13 52.82 3cxh s LEU 146 Cb 0.23 -0.20 1.40 0.00 0.03 0.00 0.00 46.19 47.66 3cxh s LEU 146 CO 0.19 -0.38 1.94 0.29 0.23 0.00 0.00 176.35 178.63