#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 5.22 -0.23 2.52 -1.32 -1.26 -5.01 115.64 115.56 3cxh s THR 75 Ca 0.00 -0.48 -0.38 0.00 -1.21 0.00 0.00 61.69 59.63 3cxh s THR 75 Cb 0.00 -3.75 -0.14 0.00 -1.51 0.00 0.00 72.50 67.10 3cxh s THR 75 CO 0.00 -0.20 1.85 -0.67 -2.21 0.00 0.00 174.62 173.39 3cxh n ASP 76 N -0.78 2.73 -0.31 8.08 2.03 -1.26 -4.87 116.55 122.18 3cxh n ASP 76 Ca -0.05 0.96 0.04 0.00 0.52 0.00 0.00 54.79 56.26 3cxh n ASP 76 Cb 0.54 -1.23 0.24 0.00 -0.72 0.00 0.00 41.12 39.95 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 8.57 1.00 -0.37 -0.67 7.50 -1.95 -2.16 115.11 127.03 3cxh h GLN 77 Ca -0.45 -0.06 -0.09 0.00 0.50 0.00 0.00 58.65 58.55 3cxh h GLN 77 Cb 1.30 -0.22 -0.01 0.00 0.05 0.00 0.00 27.48 28.60 3cxh h GLN 77 CO 0.97 0.66 -0.13 1.25 -1.50 0.00 0.00 178.83 180.08 3cxh h LEU 78 N 1.03 0.75 -1.32 1.46 5.85 -1.93 -2.19 115.31 118.95 3cxh h LEU 78 Ca 0.40 -0.38 0.03 0.00 0.84 0.00 0.00 57.88 58.76 3cxh h LEU 78 Cb 0.22 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 3cxh h LEU 78 CO -0.15 0.96 0.48 -0.33 -0.34 0.00 0.00 178.44 179.06 3cxh h GLU 79 N 0.53 0.88 0.27 1.25 5.08 -1.79 -0.86 114.58 119.94 3cxh h GLU 79 Ca 0.09 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 3cxh h GLU 79 Cb 0.66 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.71 3cxh h GLU 79 CO 0.04 0.58 -0.13 -0.44 -1.00 0.00 0.00 179.01 178.07 3cxh h ASP 80 N 0.91 -0.31 -0.88 1.42 3.32 -1.22 -1.88 116.42 117.78 3cxh h ASP 80 Ca 0.28 -0.15 0.10 0.00 0.02 0.00 0.00 57.03 57.29 3cxh h ASP 80 Cb 0.00 0.08 -0.08 0.00 0.22 0.00 0.00 39.33 39.55 3cxh h ASP 80 CO -0.07 -0.02 0.52 -0.07 -1.72 0.00 0.00 179.24 177.87 3cxh h LEU 81 N -0.61 0.74 -0.69 1.55 3.38 -0.95 0.64 115.31 119.38 3cxh h LEU 81 Ca -0.04 0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 3cxh h LEU 81 Cb 0.44 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 3cxh h LEU 81 CO 0.06 0.41 0.14 0.03 0.09 0.00 0.00 178.44 179.18 3cxh h ARG 82 N 0.85 1.13 -0.59 1.13 3.08 -1.09 -1.59 114.38 117.30 3cxh h ARG 82 Ca 0.43 -0.28 -0.07 0.00 0.07 0.00 0.00 59.98 60.13 3cxh h ARG 82 Cb 0.41 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 3cxh h ARG 82 CO -0.26 1.01 0.10 1.49 -1.07 0.00 0.00 179.97 181.24 3cxh h GLU 83 N 1.06 0.96 0.13 0.04 4.57 -0.40 -0.84 114.58 120.10 3cxh h GLU 83 Ca 0.21 -0.25 -0.00 0.00 -1.18 0.00 0.00 59.36 58.14 3cxh h GLU 83 Cb 0.41 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.87 3cxh h GLU 83 CO 0.01 0.91 -0.09 1.25 -1.18 0.00 0.00 179.01 179.90 3cxh h HIS 84 N 0.86 -0.24 0.00 0.92 2.76 -0.59 -2.79 115.15 116.08 3cxh h HIS 84 Ca 0.18 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.35 3cxh h HIS 84 Cb 0.41 0.09 0.00 0.00 1.55 0.00 0.00 27.41 29.45 3cxh h HIS 84 CO 0.03 -0.14 0.00 0.74 -1.30 0.00 0.00 177.93 177.25 3cxh h PHE 85 N -0.22 0.00 0.00 5.26 -1.00 -1.13 -2.02 116.94 117.83 3cxh h PHE 85 Ca -0.01 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.77 3cxh h PHE 85 Cb 0.20 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.76 3cxh h PHE 85 CO -0.10 0.00 0.00 0.87 -1.61 0.00 0.00 178.31 177.47 3cxh h LYS 86 N 0.00 0.00 -0.24 1.51 1.57 -0.86 -3.11 116.57 115.44 3cxh h LYS 86 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3cxh h LYS 86 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.77 3cxh h LYS 86 CO 0.00 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 178.97 3cxh n ASN 87 N -2.60 2.90 -4.43 0.86 3.02 -0.76 -2.81 115.26 111.44 3cxh n ASN 87 Ca 0.02 -1.91 -0.29 0.00 -0.03 0.00 0.00 54.58 52.37 3cxh n ASN 87 Cb 0.32 -0.15 0.15 0.00 -0.61 0.00 0.00 39.78 39.49 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 -1.70 1.97 0.13 3.41 -4.23 -1.17 -4.80 115.64 109.24 3cxh s THR 88 Ca 0.35 0.00 -0.15 0.00 -1.18 0.00 0.00 61.69 60.71 3cxh s THR 88 Cb 0.21 -2.93 -0.01 0.00 1.34 0.00 0.00 72.50 71.11 3cxh s THR 88 CO 0.30 0.00 1.61 -0.33 -0.54 0.00 0.00 174.62 175.67 3cxh h GLU 89 N -1.51 0.66 -0.59 3.99 4.39 -1.92 -1.06 114.58 118.54 3cxh h GLU 89 Ca -0.46 -0.17 -0.06 0.00 0.34 0.00 0.00 59.36 59.01 3cxh h GLU 89 Cb 1.28 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.83 3cxh h GLU 89 CO 0.50 0.70 0.13 0.93 -1.16 0.00 0.00 179.01 180.11 3cxh h GLU 90 N 0.52 0.93 -0.20 2.33 3.07 -1.93 -1.97 114.58 117.32 3cxh h GLU 90 Ca 0.12 -0.21 -0.04 0.00 -0.50 0.00 0.00 59.36 58.74 3cxh h GLU 90 Cb 0.36 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.13 3cxh h GLU 90 CO 0.01 0.84 -0.02 0.78 -1.40 0.00 0.00 179.01 179.22 3cxh h GLY 91 N 1.02 0.40 1.18 -3.84 0.00 -1.66 -2.22 103.07 97.95 3cxh h GLY 91 Ca 0.19 -0.31 -0.05 0.00 0.00 0.00 0.00 47.33 47.16 3cxh h GLY 91 CO 0.00 0.29 0.23 0.50 0.00 0.00 0.00 176.54 177.56 3cxh h LYS 92 N 0.12 1.04 -0.59 4.80 1.57 -1.03 0.09 116.57 122.56 3cxh h LYS 92 Ca 0.06 -0.20 -0.08 0.00 -1.87 0.00 0.00 60.65 58.56 3cxh h LYS 92 Cb 0.43 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 3cxh h LYS 92 CO 0.01 0.87 0.07 0.00 -0.57 0.00 0.00 179.45 179.83 3cxh h ALA 93 N 1.24 0.99 -0.42 3.86 0.00 -1.33 -0.15 119.26 123.46 3cxh h ALA 93 Ca 0.23 -0.27 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 3cxh h ALA 93 Cb 0.26 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3cxh h ALA 93 CO -0.01 0.63 -0.25 -0.07 0.00 0.00 0.00 179.25 179.55 3cxh h LEU 94 N 0.92 0.94 -0.71 0.00 4.07 -0.89 -0.64 115.31 119.00 3cxh h LEU 94 Ca 0.18 -0.42 -0.14 0.00 0.08 0.00 0.00 57.88 57.58 3cxh h LEU 94 Cb 0.44 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 41.91 3cxh h LEU 94 CO 0.02 1.16 -0.57 -0.37 -1.08 0.00 0.00 178.44 177.59 3cxh h VAL 95 N 0.73 1.38 -0.11 1.22 -1.51 -0.83 -2.53 116.25 114.59 3cxh h VAL 95 Ca 0.09 -1.90 -0.00 0.00 -1.23 0.00 0.00 66.70 63.65 3cxh h VAL 95 Cb 0.82 1.95 -0.01 0.00 -2.13 0.00 0.00 31.29 31.93 3cxh h VAL 95 CO 0.07 0.56 0.06 -0.74 -1.23 0.00 0.00 177.57 176.29 3cxh h HIS 96 N 0.17 0.17 -0.91 5.19 -0.00 -0.80 0.13 115.15 119.09 3cxh h HIS 96 Ca -0.00 -0.01 0.06 0.00 -0.00 0.00 0.00 60.37 60.42 3cxh h HIS 96 Cb 1.05 -0.05 -0.06 0.00 -0.00 0.00 0.00 27.41 28.36 3cxh h HIS 96 CO 0.02 0.22 0.59 0.45 -0.00 0.00 0.00 177.93 179.22 3cxh h HIS 97 N 0.06 1.07 0.26 5.26 -0.00 -1.00 0.28 115.15 121.09 3cxh h HIS 97 Ca 0.04 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.42 3cxh h HIS 97 Cb 0.12 -0.35 0.00 0.00 -0.00 0.00 0.00 27.41 27.18 3cxh h HIS 97 CO -0.03 0.58 -0.13 -0.92 -0.00 0.00 0.00 177.93 177.43 3cxh h TYR 98 N 1.07 -0.33 -0.82 2.45 3.20 -1.14 -2.68 116.97 118.73 3cxh h TYR 98 Ca 0.38 -0.01 0.13 0.00 3.14 0.00 0.00 58.73 62.38 3cxh h TYR 98 Cb 0.14 0.11 -0.06 0.00 1.54 0.00 0.00 36.73 38.46 3cxh h TYR 98 CO -0.00 0.04 0.53 1.49 -1.64 0.00 0.00 178.16 178.58 3cxh h GLU 99 N -0.86 0.58 -0.50 1.82 4.57 -0.46 0.58 114.58 120.31 3cxh h GLU 99 Ca -0.04 -0.03 -0.06 0.00 -1.18 0.00 0.00 59.36 58.05 3cxh h GLU 99 Cb 0.51 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.95 3cxh h GLU 99 CO 0.06 0.38 0.06 1.49 -1.18 0.00 0.00 179.01 179.82 3cxh h GLU 100 N 0.60 0.79 -0.23 1.92 4.81 -0.45 -2.00 114.58 120.02 3cxh h GLU 100 Ca 0.40 -0.19 -0.16 0.00 -0.13 0.00 0.00 59.36 59.29 3cxh h GLU 100 Cb 0.70 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.98 3cxh h GLU 100 CO -0.16 0.76 -0.48 0.00 -0.73 0.00 0.00 179.01 178.40 3cxh h ALA 102 N 0.62 1.87 -0.03 0.00 0.00 -0.02 -1.45 119.26 120.26 3cxh h ALA 102 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3cxh h ALA 102 Cb 1.08 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3cxh h ALA 102 CO 0.11 0.11 -0.10 0.93 0.00 0.00 0.00 179.25 180.30 3cxh h GLU 103 N 0.26 0.11 -0.65 0.00 5.08 -1.32 -2.34 114.58 115.72 3cxh h GLU 103 Ca 0.07 -0.09 0.08 0.00 -1.00 0.00 0.00 59.36 58.43 3cxh h GLU 103 Cb -0.01 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.22 3cxh h GLU 103 CO -0.02 0.73 0.43 -0.09 -1.00 0.00 0.00 179.01 179.06 3cxh h ARG 104 N -0.48 0.57 -0.03 2.33 2.43 -1.24 -1.89 114.38 116.07 3cxh h ARG 104 Ca -0.00 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 3cxh h ARG 104 Cb 0.74 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 3cxh h ARG 104 CO 0.02 0.38 -0.07 0.28 -1.51 0.00 0.00 179.97 179.07 3cxh h VAL 105 N 0.59 1.43 -0.36 0.20 2.07 -1.25 -1.81 116.25 117.12 3cxh h VAL 105 Ca 0.29 -1.38 -0.02 0.00 0.82 0.00 0.00 66.70 66.41 3cxh h VAL 105 Cb 0.37 2.27 -0.02 0.00 -1.52 0.00 0.00 31.29 32.40 3cxh h VAL 105 CO -0.09 0.37 0.14 0.07 0.02 0.00 0.00 177.57 178.08 3cxh h LYS 106 N -0.42 0.50 -0.05 1.57 2.10 -1.11 -0.01 116.57 119.14 3cxh h LYS 106 Ca 0.00 -0.06 -0.12 0.00 -2.00 0.00 0.00 60.65 58.47 3cxh h LYS 106 Cb 0.64 -0.10 -0.01 0.00 -0.90 0.00 0.00 32.23 31.86 3cxh h LYS 106 CO 0.01 0.42 -0.53 0.82 -2.00 0.00 0.00 179.45 178.18 3cxh h ILE 107 N 0.50 1.37 -0.11 0.07 2.04 -1.35 -2.43 117.51 117.60 3cxh h ILE 107 Ca 0.12 -1.81 -0.13 0.00 1.00 0.00 0.00 64.86 64.04 3cxh h ILE 107 Cb 0.11 1.92 -0.01 0.00 -0.74 0.00 0.00 36.82 38.10 3cxh h ILE 107 CO -0.01 0.53 -0.52 1.56 0.00 0.00 0.00 178.15 179.70 3cxh h GLN 108 N 0.11 0.30 0.00 2.37 4.20 -0.17 -2.89 115.11 119.04 3cxh h GLN 108 Ca 0.00 -0.18 -0.03 0.00 0.06 0.00 0.00 58.65 58.51 3cxh h GLN 108 Cb 0.97 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.76 3cxh h GLN 108 CO 0.08 0.75 -0.13 1.96 -0.67 0.00 0.00 178.83 180.81 3cxh h GLN 109 N 0.23 0.00 0.00 1.46 4.20 -0.77 -3.15 115.11 117.08 3cxh h GLN 109 Ca 0.01 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.52 3cxh h GLN 109 Cb 1.00 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.75 3cxh h GLN 109 CO 0.08 0.13 -1.02 1.96 -0.67 0.00 0.00 178.83 179.32 3cxh h GLN 110 N 0.00 0.00 -6.86 1.46 4.20 -1.26 -3.46 115.11 109.19 3cxh h GLN 110 Ca -0.00 0.00 -0.57 0.00 0.06 0.00 0.00 58.65 58.14 3cxh h GLN 110 Cb 0.86 0.00 0.15 0.00 0.30 0.00 0.00 27.48 28.80 3cxh h GLN 110 CO 0.02 0.75 0.27 1.04 -0.67 0.00 0.00 178.83 180.24 3cxh n GLN 111 N -3.24 1.19 -2.19 1.46 6.02 -1.11 -4.92 117.38 114.59 3cxh n GLN 111 Ca -0.03 0.45 -0.42 0.00 -0.01 0.00 0.00 57.00 56.99 3cxh n GLN 111 Cb 0.90 -2.27 -0.03 0.00 1.02 0.00 0.00 30.24 29.86 3cxh n GLN 111 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 3cxh s PRO 112 N -2.69 4.27 0.00 -1.09 0.04 -1.26 -3.34 135.00 130.93 3cxh s PRO 112 Ca 0.73 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.78 3cxh s PRO 112 Cb -0.44 -3.57 0.00 0.00 0.04 0.00 0.00 34.50 30.53 3cxh s PRO 112 CO 0.49 -0.59 0.00 0.41 0.04 0.00 0.00 177.00 177.35 3cxh n GLY 113 N 3.68 0.59 0.19 0.56 0.00 -1.26 -4.98 105.19 103.97 3cxh n GLY 113 Ca 0.13 -0.78 -0.12 0.00 0.00 0.00 0.00 46.02 45.26 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 0.70 -1.07 1.61 5.03 -1.84 -3.20 116.97 118.20 3cxh h TYR 114 Ca 0.00 -0.18 0.31 0.00 2.58 0.00 0.00 58.73 61.44 3cxh h TYR 114 Cb 0.84 -0.16 -0.04 0.00 1.55 0.00 0.00 36.73 38.92 3cxh h TYR 114 CO 0.00 0.85 0.78 0.00 -1.32 0.00 0.00 178.16 178.47 3cxh h ALA 115 N 0.74 3.01 -2.62 1.82 0.00 -1.93 -3.07 119.26 117.21 3cxh h ALA 115 Ca 0.06 -0.04 -0.68 0.00 0.00 0.00 0.00 54.91 54.26 3cxh h ALA 115 Cb 0.67 0.08 -0.37 0.00 0.00 0.00 0.00 17.79 18.17 3cxh h ALA 115 CO 0.04 -1.33 -0.18 -0.25 0.00 0.00 0.00 179.25 177.53 3cxh n ASP 116 N -4.18 4.17 0.00 0.00 8.00 -1.21 -4.74 116.55 118.59 3cxh n ASP 116 Ca 0.23 -3.26 0.00 0.00 0.71 0.00 0.00 54.79 52.47 3cxh n ASP 116 Cb 1.14 -0.94 0.00 0.00 -0.02 0.00 0.00 41.12 41.31 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 1.77 1.66 0.00 0.64 4.77 -1.16 -5.01 117.00 119.67 3cxh n LEU 117 Ca 0.24 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 3cxh n LEU 117 Cb 0.37 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 3cxh n LEU 117 CO 0.40 0.25 0.00 1.21 -1.33 0.00 0.00 177.39 177.93 3cxh n GLU 118 N -2.21 0.00 -2.02 3.23 2.13 -1.26 -4.68 120.64 115.84 3cxh n GLU 118 Ca 0.00 0.00 -0.36 0.00 0.66 0.00 0.00 57.16 57.46 3cxh n GLU 118 Cb 0.31 -1.45 0.03 0.00 0.27 0.00 0.00 31.44 30.60 3cxh n GLU 118 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 3cxh n HIS 119 N -0.62 3.09 -2.73 4.31 8.25 -1.26 -5.01 115.22 121.25 3cxh n HIS 119 Ca 0.00 -2.54 -0.40 0.00 -0.26 0.00 0.00 57.72 54.51 3cxh n HIS 119 Cb 0.00 -0.93 -0.05 0.00 1.12 0.00 0.00 29.99 30.12 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 -3.93 4.80 0.11 -0.41 1.02 -1.26 -5.05 119.74 115.02 3cxh s LYS 120 Ca 0.52 1.49 -0.08 0.00 0.02 0.00 0.00 55.97 57.92 3cxh s LYS 120 Cb 0.43 -3.31 -0.06 0.00 -0.52 0.00 0.00 37.83 34.38 3cxh s LYS 120 CO -0.33 0.41 0.40 -2.00 -0.92 0.00 0.00 175.35 172.91 3cxh s GLU 121 N -0.83 3.70 0.24 1.68 2.12 -1.26 -5.10 118.70 119.25 3cxh s GLU 121 Ca 0.43 0.07 0.03 0.00 0.36 0.00 0.00 54.97 55.86 3cxh s GLU 121 Cb -0.25 -2.91 -0.05 0.00 0.26 0.00 0.00 34.13 31.17 3cxh s GLU 121 CO 0.32 0.51 0.02 0.16 -0.54 0.00 0.00 175.26 175.72 3cxh s ASP 122 N -2.07 1.71 -0.30 -1.70 -4.77 -1.26 -4.97 116.67 103.31 3cxh s ASP 122 Ca 0.37 -1.26 0.08 0.00 -3.30 0.00 0.00 52.55 48.44 3cxh s ASP 122 Cb -0.13 0.04 0.51 0.00 -1.09 0.00 0.00 42.92 42.25 3cxh s ASP 122 CO 0.21 -0.57 1.48 0.00 0.70 0.00 0.00 175.17 176.99 3cxh h VAL 124 N 1.02 1.21 -0.33 0.00 2.07 -1.98 -1.13 116.25 117.11 3cxh h VAL 124 Ca 0.25 -0.66 0.04 0.00 0.82 0.00 0.00 66.70 67.15 3cxh h VAL 124 Cb 1.69 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 32.19 3cxh h VAL 124 CO 0.43 0.24 0.11 -0.08 0.02 0.00 0.00 177.57 178.29 3cxh h GLU 125 N 0.61 0.24 -0.39 1.57 4.81 -1.99 0.35 114.58 119.78 3cxh h GLU 125 Ca 0.15 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.37 3cxh h GLU 125 Cb 0.21 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 3cxh h GLU 125 CO -0.01 0.16 0.22 0.93 -0.73 0.00 0.00 179.01 179.58 3cxh h GLU 126 N 0.24 0.53 -0.89 1.92 3.07 -1.88 -1.54 114.58 116.03 3cxh h GLU 126 Ca 0.15 -0.05 -0.00 0.00 -0.50 0.00 0.00 59.36 58.95 3cxh h GLU 126 Cb 0.13 -0.11 -0.04 0.00 -0.84 0.00 0.00 28.75 27.88 3cxh h GLU 126 CO -0.16 0.41 0.54 0.35 -1.40 0.00 0.00 179.01 178.75 3cxh h PHE 127 N 0.50 1.18 -0.56 4.33 3.57 -0.53 -2.34 116.94 123.10 3cxh h PHE 127 Ca 0.14 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.54 3cxh h PHE 127 Cb 0.03 -0.39 -0.02 0.00 2.79 0.00 0.00 35.95 38.36 3cxh h PHE 127 CO -0.03 0.78 -0.01 0.74 -2.23 0.00 0.00 178.31 177.56 3cxh h PHE 128 N 1.23 1.04 -0.58 0.41 0.05 0.03 0.38 116.94 119.50 3cxh h PHE 128 Ca 0.32 -0.17 -0.03 0.00 3.82 0.00 0.00 57.97 61.91 3cxh h PHE 128 Cb -0.05 -0.28 -0.03 0.00 2.00 0.00 0.00 35.95 37.59 3cxh h PHE 128 CO 0.00 0.94 0.24 0.45 -0.18 0.00 0.00 178.31 179.75 3cxh h HIS 129 N 0.88 0.85 0.01 -0.55 3.86 -0.92 0.11 115.15 119.40 3cxh h HIS 129 Ca 0.16 -0.04 -0.00 0.00 -1.16 0.00 0.00 60.37 59.33 3cxh h HIS 129 Cb 0.53 -0.26 0.00 0.00 1.06 0.00 0.00 27.41 28.74 3cxh h HIS 129 CO 0.03 0.65 -0.01 1.25 0.86 0.00 0.00 177.93 180.72 3cxh h LEU 130 N 0.83 -0.02 -1.35 2.43 7.12 -1.07 -2.85 115.31 120.41 3cxh h LEU 130 Ca 0.20 -0.69 -0.02 0.00 0.13 0.00 0.00 57.88 57.50 3cxh h LEU 130 Cb 0.16 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.27 3cxh h LEU 130 CO -0.02 0.70 0.24 -0.61 -0.13 0.00 0.00 178.44 178.62 3cxh h GLN 131 N -0.75 0.68 -0.58 1.25 5.75 -0.83 -1.93 115.11 118.69 3cxh h GLN 131 Ca -0.00 -0.08 -0.03 0.00 -0.15 0.00 0.00 58.65 58.39 3cxh h GLN 131 Cb 0.71 -0.13 -0.03 0.00 1.07 0.00 0.00 27.48 29.10 3cxh h GLN 131 CO 0.00 0.52 0.23 1.25 -2.65 0.00 0.00 178.83 178.19 3cxh h HIS 132 N 0.68 0.88 -0.21 3.99 2.76 -0.82 -0.84 115.15 121.59 3cxh h HIS 132 Ca 0.17 -0.07 -0.01 0.00 -2.20 0.00 0.00 60.37 58.27 3cxh h HIS 132 Cb 0.07 -0.26 -0.01 0.00 1.55 0.00 0.00 27.41 28.76 3cxh h HIS 132 CO 0.01 0.71 0.11 -0.92 -1.30 0.00 0.00 177.93 176.53 3cxh h TYR 133 N 0.79 0.29 -0.66 5.26 3.20 -1.15 -1.68 116.97 123.03 3cxh h TYR 133 Ca 0.19 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.04 3cxh h TYR 133 Cb 0.20 -0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.35 3cxh h TYR 133 CO 0.01 0.28 0.37 -0.07 -1.64 0.00 0.00 178.16 177.11 3cxh h LEU 134 N 0.22 0.82 -0.12 2.82 3.38 -1.19 -2.76 115.31 118.49 3cxh h LEU 134 Ca 0.07 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3cxh h LEU 134 Cb 0.09 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3cxh h LEU 134 CO -0.01 0.67 0.07 0.44 0.09 0.00 0.00 178.44 179.70 3cxh h ASP 135 N 0.90 0.12 -0.10 -0.43 3.32 -1.01 0.28 116.42 119.50 3cxh h ASP 135 Ca 0.23 -0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.31 3cxh h ASP 135 Cb 0.03 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 3cxh h ASP 135 CO -0.04 0.09 0.12 0.74 -1.72 0.00 0.00 179.24 178.44 3cxh h THR 136 N 0.15 0.45 0.06 0.35 2.02 -1.17 0.64 112.91 115.42 3cxh h THR 136 Ca 0.04 0.00 -0.37 0.00 0.77 0.00 0.00 66.41 66.86 3cxh h THR 136 Cb -0.01 0.90 -0.04 0.00 -1.74 0.00 0.00 68.15 67.26 3cxh h THR 136 CO -0.02 0.00 -2.12 0.00 0.37 0.00 0.00 175.52 173.76 3cxh n ALA 137 N -2.30 1.08 0.09 6.16 0.00 -0.82 -4.55 120.51 120.16 3cxh n ALA 137 Ca -0.00 -0.79 -0.13 0.00 0.00 0.00 0.00 53.44 52.52 3cxh n ALA 137 Cb 0.23 -0.41 -0.10 0.00 0.00 0.00 0.00 19.45 19.16 3cxh n ALA 137 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3cxh h THR 138 N -0.16 1.52 -0.40 0.00 1.35 -0.20 -3.38 112.91 111.64 3cxh h THR 138 Ca -0.49 -2.97 0.08 0.00 -0.55 0.00 0.00 66.41 62.48 3cxh h THR 138 Cb 1.87 2.78 -0.08 0.00 -1.73 0.00 0.00 68.15 71.00 3cxh h THR 138 CO -0.05 0.86 -0.09 0.00 -0.25 0.00 0.00 175.52 176.00 3cxh h ALA 139 N 0.74 0.27 0.00 6.62 0.00 -1.09 -0.52 119.26 125.29 3cxh h ALA 139 Ca -0.09 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3cxh h ALA 139 Cb 1.81 0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.90 3cxh h ALA 139 CO 0.17 -0.45 0.00 -0.35 0.00 0.00 0.00 179.25 178.63 3cxh n PRO 140 N -5.30 0.20 -0.06 0.00 -0.04 -1.26 -3.95 135.00 124.59 3cxh n PRO 140 Ca 0.02 0.10 -0.08 0.00 -0.04 0.00 0.00 63.50 63.51 3cxh n PRO 140 Cb 0.22 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.11 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 -1.36 1.22 -0.25 0.54 1.74 -0.79 -4.79 116.66 112.97 3cxh n ARG 141 Ca 0.08 0.04 0.05 0.00 -0.77 0.00 0.00 57.85 57.25 3cxh n ARG 141 Cb 0.20 -1.28 0.16 0.00 -1.02 0.00 0.00 32.46 30.52 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 -0.29 -1.19 0.55 5.85 -1.24 -2.39 115.31 116.60 3cxh h LEU 142 Ca -0.30 0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.60 3cxh h LEU 142 Cb 1.56 0.32 0.00 0.00 0.37 0.00 0.00 40.66 42.91 3cxh h LEU 142 CO -0.02 -0.15 0.00 -0.26 -0.34 0.00 0.00 178.44 177.67 3cxh h PHE 143 N 0.13 0.00 0.00 1.25 -1.00 -1.86 -1.84 116.94 113.62 3cxh h PHE 143 Ca 0.41 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 61.18 3cxh h PHE 143 Cb 0.71 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.27 3cxh h PHE 143 CO -0.39 0.00 -0.04 -0.44 -1.61 0.00 0.00 178.31 175.83 3cxh h ASP 144 N 0.00 0.00 -0.25 2.17 3.45 -1.75 -2.74 116.42 117.30 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 0.38 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.15 3cxh h ASP 144 CO 0.00 0.04 0.00 0.29 -1.57 0.00 0.00 179.24 178.00 3cxh n LYS 145 N -3.13 2.21 -4.32 3.56 5.02 -0.69 -4.95 118.16 115.85 3cxh n LYS 145 Ca 0.02 -1.81 -0.23 0.00 -2.02 0.00 0.00 58.31 54.27 3cxh n LYS 145 Cb 0.40 -1.47 -0.08 0.00 -0.02 0.00 0.00 35.03 33.86 3cxh n LYS 145 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3cxh s LEU 146 N -1.62 3.07 0.00 -0.35 1.43 -1.04 -4.98 118.68 115.19 3cxh s LEU 146 Ca 0.35 -0.75 0.32 0.00 -1.03 0.00 0.00 54.13 53.02 3cxh s LEU 146 Cb 0.21 -1.58 1.89 0.00 0.03 0.00 0.00 46.19 46.74 3cxh s LEU 146 CO 0.30 -0.02 2.22 1.17 0.23 0.00 0.00 176.35 180.24