#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cx5 s THR 63 N 0.00 2.53 0.17 1.12 -4.23 -1.26 -4.86 115.64 109.11 3cx5 s THR 63 Ca 0.00 0.17 -0.13 0.00 -1.18 0.00 0.00 61.69 60.56 3cx5 s THR 63 Cb 0.00 -2.69 0.07 0.00 1.34 0.00 0.00 72.50 71.22 3cx5 s THR 63 CO 0.00 -0.23 1.75 0.00 -0.54 0.00 0.00 174.62 175.60 3cx5 h ALA 64 N -1.58 0.74 -0.49 3.99 0.00 -1.99 -1.87 119.26 118.06 3cx5 h ALA 64 Ca -0.50 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.27 3cx5 h ALA 64 Cb 1.29 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 3cx5 h ALA 64 CO 0.56 0.31 0.29 0.00 0.00 0.00 0.00 179.25 180.41 3cx5 h ALA 65 N 1.11 0.63 -0.49 0.00 0.00 -1.93 0.33 119.26 118.91 3cx5 h ALA 65 Ca 0.20 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 3cx5 h ALA 65 Cb 0.13 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3cx5 h ALA 65 CO -0.02 0.13 -0.01 0.93 0.00 0.00 0.00 179.25 180.27 3cx5 h GLU 66 N 0.65 0.82 -0.05 0.00 5.08 -1.85 0.14 114.58 119.39 3cx5 h GLU 66 Ca 0.17 -0.23 -0.21 0.00 -1.00 0.00 0.00 59.36 58.09 3cx5 h GLU 66 Cb 0.01 -0.09 0.02 0.00 0.50 0.00 0.00 28.75 29.19 3cx5 h GLU 66 CO -0.03 0.83 -0.81 1.25 -1.00 0.00 0.00 179.01 179.25 3cx5 h HIS 67 N 0.77 0.90 0.00 4.33 2.76 -1.03 -3.06 115.15 119.82 3cx5 h HIS 67 Ca 0.15 -0.46 0.00 0.00 -2.20 0.00 0.00 60.37 57.86 3cx5 h HIS 67 Cb 0.48 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 29.32 3cx5 h HIS 67 CO 0.03 1.28 0.00 0.41 -1.30 0.00 0.00 177.93 178.35 3cx5 n GLY 68 N 0.95 2.23 3.73 5.26 0.00 0.11 -4.33 105.19 113.15 3cx5 n GLY 68 Ca -0.10 -1.72 -0.42 0.00 0.00 0.00 0.00 46.02 43.78 3cx5 n GLY 68 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3cx5 s LEU 69 N 0.00 4.38 0.28 0.99 0.20 0.46 -4.90 118.68 120.08 3cx5 s LEU 69 Ca 0.00 2.60 -0.30 0.00 0.69 0.00 0.00 54.13 57.12 3cx5 s LEU 69 Cb 0.00 -3.61 -0.12 0.00 -0.43 0.00 0.00 46.19 42.03 3cx5 s LEU 69 CO 0.00 -0.74 1.58 1.57 -0.29 0.00 0.00 176.35 178.47 3cx5 n HIS 70 N 3.16 2.75 -2.88 5.38 -0.00 -1.26 -4.54 115.22 117.83 3cx5 n HIS 70 Ca 0.10 0.26 -0.42 0.00 -0.00 0.00 0.00 57.72 57.67 3cx5 n HIS 70 Cb 0.40 -2.58 -0.04 0.00 -0.00 0.00 0.00 29.99 27.76 3cx5 n HIS 70 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3cx5 s ALA 71 N 0.08 3.58 0.86 1.57 0.00 -1.26 -5.04 121.76 121.54 3cx5 s ALA 71 Ca 0.66 -0.03 -0.11 0.00 0.00 0.00 0.00 51.96 52.48 3cx5 s ALA 71 Cb -0.52 -3.27 0.11 0.00 0.00 0.00 0.00 23.12 19.44 3cx5 s ALA 71 CO 0.47 -0.78 1.10 -1.25 0.00 0.00 0.00 175.76 175.30 3cx5 s PRO 72 N 2.47 1.55 -0.45 0.00 0.04 -1.26 -4.89 135.00 132.46 3cx5 s PRO 72 Ca 0.37 1.07 -0.20 0.00 0.04 0.00 0.00 61.00 62.28 3cx5 s PRO 72 Cb -0.16 -1.82 0.03 0.00 0.04 0.00 0.00 34.50 32.59 3cx5 s PRO 72 CO 0.10 -2.11 0.64 0.00 0.04 0.00 0.00 177.00 175.67 3cx5 s ALA 73 N -2.86 3.35 0.50 8.56 0.00 -1.26 -4.79 121.76 125.26 3cx5 s ALA 73 Ca 0.63 -1.30 -0.05 0.00 0.00 0.00 0.00 51.96 51.24 3cx5 s ALA 73 Cb -0.19 -3.30 -0.03 0.00 0.00 0.00 0.00 23.12 19.60 3cx5 s ALA 73 CO 0.57 -1.82 0.80 0.71 0.00 0.00 0.00 175.76 176.01 3cx5 s TYR 74 N 2.78 3.49 -1.40 0.00 2.02 -1.26 -4.99 117.35 117.99 3cx5 s TYR 74 Ca 0.21 0.74 -0.08 0.00 -0.37 0.00 0.00 57.07 57.58 3cx5 s TYR 74 Cb -0.15 -2.37 0.07 0.00 -0.40 0.00 0.00 41.96 39.11 3cx5 s TYR 74 CO 0.18 -0.37 2.45 0.00 -1.57 0.00 0.00 175.55 176.23 3cx5 n ALA 75 N -2.30 6.74 -1.68 3.71 0.00 -1.26 -4.98 120.51 120.74 3cx5 n ALA 75 Ca 0.01 -3.97 -0.45 0.00 0.00 0.00 0.00 53.44 49.04 3cx5 n ALA 75 Cb 0.56 -2.99 -0.04 0.00 0.00 0.00 0.00 19.45 16.98 3cx5 n ALA 75 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 3cx5 n TRP 76 N 2.72 2.35 0.52 0.00 7.02 -1.26 -4.84 117.44 123.95 3cx5 n TRP 76 Ca 0.63 0.27 0.06 0.00 -1.02 0.00 0.00 57.50 57.44 3cx5 n TRP 76 Cb 0.27 -2.55 0.30 0.00 -2.42 0.00 0.00 31.31 26.91 3cx5 n TRP 76 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 3cx5 n SER 77 N 3.15 0.00 -0.68 -0.99 3.41 -1.26 -1.78 113.62 115.47 3cx5 n SER 77 Ca 0.15 0.33 0.12 0.00 -0.26 0.00 0.00 58.87 59.21 3cx5 n SER 77 Cb 0.31 -0.41 0.07 0.00 -0.26 0.00 0.00 64.21 63.91 3cx5 n SER 77 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3cx5 n HIS 78 N -1.41 0.00 -2.43 7.33 -0.00 -1.26 -4.57 115.22 112.88 3cx5 n HIS 78 Ca 0.04 0.00 -0.41 0.00 -0.00 0.00 0.00 57.72 57.35 3cx5 n HIS 78 Cb 0.13 -0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 30.08 3cx5 n HIS 78 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.34 175.54 3cx5 s ASN 79 N -2.27 7.17 0.00 4.39 0.02 -0.73 -4.67 114.94 118.84 3cx5 s ASN 79 Ca 0.23 2.19 0.00 0.00 -1.02 0.00 0.00 52.86 54.26 3cx5 s ASN 79 Cb 0.19 -2.61 0.00 0.00 0.02 0.00 0.00 41.25 38.85 3cx5 s ASN 79 CO 0.45 -0.30 0.00 0.61 0.02 0.00 0.00 177.10 177.89 3cx5 n GLY 80 N 2.02 3.34 0.34 0.66 0.00 -1.26 -4.71 105.19 105.57 3cx5 n GLY 80 Ca 0.03 -1.52 0.13 0.00 0.00 0.00 0.00 46.02 44.66 3cx5 n GLY 80 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3cx5 h PRO 81 N 0.00 0.17 -0.51 1.61 0.13 -2.00 -2.55 132.00 128.84 3cx5 h PRO 81 Ca 0.00 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 3cx5 h PRO 81 Cb 0.00 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.09 3cx5 h PRO 81 CO 0.00 0.12 0.00 1.19 -0.23 0.00 0.00 178.00 179.08 3cx5 n PHE 82 N -4.46 0.67 -3.71 1.56 0.99 -1.26 -4.85 117.46 106.40 3cx5 n PHE 82 Ca 0.06 -0.34 -0.35 0.00 -0.00 0.00 0.00 57.45 56.82 3cx5 n PHE 82 Cb 0.36 -0.00 -0.08 0.00 -1.00 0.00 0.00 39.48 38.76 3cx5 n PHE 82 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.76 175.55 3cx5 s GLU 83 N -1.33 4.15 0.63 -1.08 0.41 -0.96 -5.06 118.70 115.45 3cx5 s GLU 83 Ca 0.43 -0.16 -0.01 0.00 -0.41 0.00 0.00 54.97 54.82 3cx5 s GLU 83 Cb 0.24 -3.40 0.07 0.00 -1.78 0.00 0.00 34.13 29.25 3cx5 s GLU 83 CO 0.33 0.33 0.89 0.95 -0.49 0.00 0.00 175.26 177.26 3cx5 s THR 84 N 0.27 2.43 0.67 3.63 -4.23 -1.26 -4.79 115.64 112.36 3cx5 s THR 84 Ca 0.10 -0.56 -0.14 0.00 -1.18 0.00 0.00 61.69 59.91 3cx5 s THR 84 Cb -0.11 -2.87 0.00 0.00 1.34 0.00 0.00 72.50 70.86 3cx5 s THR 84 CO -0.01 0.00 1.09 -0.36 -0.54 0.00 0.00 174.62 174.80 3cx5 s PHE 85 N -2.98 2.78 -0.53 3.99 2.99 -1.26 -4.11 117.98 118.86 3cx5 s PHE 85 Ca 0.61 1.52 -0.22 0.00 0.00 0.00 0.00 56.93 58.84 3cx5 s PHE 85 Cb -0.09 -3.07 0.04 0.00 0.00 0.00 0.00 43.02 39.91 3cx5 s PHE 85 CO 0.41 -1.49 0.82 0.34 -0.00 0.00 0.00 175.22 175.31 3cx5 s ASP 86 N -2.94 6.31 0.59 1.36 3.68 -1.26 -4.92 116.67 119.49 3cx5 s ASP 86 Ca 0.64 -0.50 0.37 0.00 2.13 0.00 0.00 52.55 55.19 3cx5 s ASP 86 Cb -0.18 -2.38 1.69 0.00 -1.45 0.00 0.00 42.92 40.59 3cx5 s ASP 86 CO 0.45 -1.09 2.10 0.45 0.13 0.00 0.00 175.17 177.21 3cx5 h HIS 87 N 9.18 0.00 -0.02 -5.34 3.86 -1.93 -1.74 115.15 119.16 3cx5 h HIS 87 Ca -0.26 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 58.79 3cx5 h HIS 87 Cb 1.08 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.54 3cx5 h HIS 87 CO 0.85 0.00 -0.69 0.00 0.86 0.00 0.00 177.93 178.95 3cx5 h ALA 88 N 2.00 0.81 -0.06 2.45 0.00 -1.91 -2.46 119.26 120.08 3cx5 h ALA 88 Ca -0.00 -0.61 -0.20 0.00 0.00 0.00 0.00 54.91 54.10 3cx5 h ALA 88 Cb 0.36 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 3cx5 h ALA 88 CO 0.00 0.82 -0.79 1.03 0.00 0.00 0.00 179.25 180.31 3cx5 h SER 89 N 0.07 0.54 -0.42 0.00 0.87 -1.72 -2.44 113.55 110.46 3cx5 h SER 89 Ca -0.01 -0.38 -0.02 0.00 -1.23 0.00 0.00 61.79 60.15 3cx5 h SER 89 Cb 1.23 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 63.01 3cx5 h SER 89 CO 0.10 1.14 0.20 0.40 -0.53 0.00 0.00 176.83 178.14 3cx5 h ILE 90 N 0.29 1.18 -0.18 2.23 2.04 -1.33 0.16 117.51 121.90 3cx5 h ILE 90 Ca -0.05 -0.50 0.01 0.00 1.00 0.00 0.00 64.86 65.33 3cx5 h ILE 90 Cb 1.39 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 38.20 3cx5 h ILE 90 CO 0.14 0.19 0.08 -0.09 0.00 0.00 0.00 178.15 178.47 3cx5 h ARG 91 N 0.53 0.17 -0.31 2.37 2.43 -1.38 -0.91 114.38 117.28 3cx5 h ARG 91 Ca 0.14 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.21 3cx5 h ARG 91 Cb 0.12 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 3cx5 h ARG 91 CO -0.02 0.12 -0.19 0.00 -1.51 0.00 0.00 179.97 178.37 3cx5 h ARG 92 N 0.18 0.57 -0.67 0.20 3.08 -1.33 -2.77 114.38 113.64 3cx5 h ARG 92 Ca 0.07 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 59.92 3cx5 h ARG 92 Cb 0.03 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.00 3cx5 h ARG 92 CO -0.06 0.73 0.39 0.78 -1.07 0.00 0.00 179.97 180.74 3cx5 h GLY 93 N 0.98 0.97 0.98 0.04 0.00 -0.37 -1.82 103.07 103.86 3cx5 h GLY 93 Ca 0.08 -0.40 -0.02 0.00 0.00 0.00 0.00 47.33 46.99 3cx5 h GLY 93 CO 0.04 0.39 0.24 -1.82 0.00 0.00 0.00 176.54 175.39 3cx5 h TYR 94 N 0.92 0.79 -0.91 5.60 3.20 -0.90 -0.87 116.97 124.81 3cx5 h TYR 94 Ca 0.24 -0.05 0.01 0.00 3.14 0.00 0.00 58.73 62.07 3cx5 h TYR 94 Cb -0.02 -0.24 -0.05 0.00 1.54 0.00 0.00 36.73 37.96 3cx5 h TYR 94 CO 0.00 0.63 0.60 0.37 -1.64 0.00 0.00 178.16 178.13 3cx5 h GLN 95 N 0.73 1.20 -0.54 1.82 4.15 -1.30 0.21 115.11 121.38 3cx5 h GLN 95 Ca 0.18 -0.07 -0.06 0.00 0.77 0.00 0.00 58.65 59.46 3cx5 h GLN 95 Cb 0.15 -0.27 -0.02 0.00 0.21 0.00 0.00 27.48 27.55 3cx5 h GLN 95 CO -0.02 0.80 0.08 0.28 -1.93 0.00 0.00 178.83 178.04 3cx5 h VAL 96 N 1.24 1.25 -0.04 2.39 2.07 -0.96 0.33 116.25 122.53 3cx5 h VAL 96 Ca 0.33 -0.96 0.01 0.00 0.82 0.00 0.00 66.70 66.90 3cx5 h VAL 96 Cb -0.14 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 3cx5 h VAL 96 CO -0.07 0.35 -0.02 0.22 0.02 0.00 0.00 177.57 178.06 3cx5 h TYR 97 N 0.78 -0.05 -0.25 1.57 3.20 -0.38 0.08 116.97 121.92 3cx5 h TYR 97 Ca 0.16 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.02 3cx5 h TYR 97 Cb 0.41 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.70 3cx5 h TYR 97 CO 0.03 -0.04 0.09 -0.09 -1.64 0.00 0.00 178.16 176.51 3cx5 h ARG 98 N -0.02 0.38 0.00 1.82 9.65 -0.42 0.61 114.38 126.40 3cx5 h ARG 98 Ca 0.02 -0.08 0.00 0.00 -1.10 0.00 0.00 59.98 58.83 3cx5 h ARG 98 Cb 0.06 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 28.58 3cx5 h ARG 98 CO -0.05 0.45 -0.14 0.93 2.80 0.00 0.00 179.97 183.95 3cx5 h GLU 99 N 0.24 0.00 0.00 0.20 5.08 -0.89 -3.39 114.58 115.82 3cx5 h GLU 99 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3cx5 h GLU 99 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 3cx5 h GLU 99 CO -0.00 0.00 0.00 0.28 -1.00 0.00 0.00 179.01 178.29 3cx5 n VAL 100 N -2.62 0.66 -0.25 3.13 0.31 0.01 -4.92 118.33 114.65 3cx5 n VAL 100 Ca 0.04 0.22 -0.08 0.00 -0.01 0.00 0.00 64.34 64.52 3cx5 n VAL 100 Cb 0.48 -1.14 0.04 0.00 -0.91 0.00 0.00 33.84 32.32 3cx5 n VAL 100 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3cx5 h ALA 102 N 1.08 1.22 0.00 0.00 0.00 0.03 0.31 119.26 121.90 3cx5 h ALA 102 Ca 0.22 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 3cx5 h ALA 102 Cb 0.39 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3cx5 h ALA 102 CO 0.00 -0.22 -0.24 0.00 0.00 0.00 0.00 179.25 178.80 3cx5 h ALA 103 N 1.46 1.17 0.00 0.00 0.00 -1.82 -3.35 119.26 116.72 3cx5 h ALA 103 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3cx5 h ALA 103 Cb 0.49 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3cx5 h ALA 103 CO 0.00 0.30 -0.47 0.00 0.00 0.00 0.00 179.25 179.08 3cx5 s HIS 105 N -1.08 2.72 0.47 0.00 3.76 -0.01 -4.65 115.29 116.50 3cx5 s HIS 105 Ca 0.00 -0.58 -0.02 0.00 -0.15 0.00 0.00 55.06 54.31 3cx5 s HIS 105 Cb 0.00 -1.75 -0.01 0.00 1.11 0.00 0.00 32.58 31.92 3cx5 s HIS 105 CO 0.00 -0.14 0.72 -1.54 -0.85 0.00 0.00 174.74 172.92 3cx5 s SER 106 N 0.04 5.93 -0.34 1.40 1.04 -1.26 -4.24 113.70 116.27 3cx5 s SER 106 Ca -0.06 0.50 0.16 0.00 0.48 0.00 0.00 55.95 57.03 3cx5 s SER 106 Cb -0.15 -1.77 0.42 0.00 0.10 0.00 0.00 66.02 64.63 3cx5 s SER 106 CO 0.05 -0.69 0.88 -0.11 0.98 0.00 0.00 173.24 174.35 3cx5 n LEU 107 N -2.16 1.33 0.18 2.42 7.94 -1.26 -1.99 117.00 123.46 3cx5 n LEU 107 Ca 0.01 -4.20 0.18 0.00 -1.11 0.00 0.00 56.01 50.89 3cx5 n LEU 107 Cb 0.57 0.50 0.78 0.00 0.53 0.00 0.00 43.42 45.80 3cx5 n LEU 107 CO 0.50 1.83 1.16 0.44 -1.11 0.00 0.00 177.39 180.21 3cx5 h ASP 108 N 2.99 0.00 -0.05 1.96 3.45 -1.94 -2.65 116.42 120.18 3cx5 h ASP 108 Ca -0.02 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.44 3cx5 h ASP 108 Cb 1.10 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.87 3cx5 h ASP 108 CO 0.51 0.00 0.00 0.54 -1.57 0.00 0.00 179.24 178.72 3cx5 n ARG 109 N -3.45 1.95 -3.64 3.56 1.74 -1.26 -4.77 116.66 110.78 3cx5 n ARG 109 Ca 0.04 -1.38 -0.39 0.00 -0.77 0.00 0.00 57.85 55.35 3cx5 n ARG 109 Cb 0.51 -1.47 -0.12 0.00 -1.02 0.00 0.00 32.46 30.36 3cx5 n ARG 109 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3cx5 s VAL 110 N -1.96 4.61 0.20 1.55 1.01 -1.00 -5.05 120.40 119.76 3cx5 s VAL 110 Ca 0.34 -0.50 -0.25 0.00 0.00 0.00 0.00 61.98 61.57 3cx5 s VAL 110 Cb 0.20 -3.39 -0.08 0.00 0.00 0.00 0.00 36.38 33.11 3cx5 s VAL 110 CO 0.32 0.01 0.80 0.00 0.00 0.00 0.00 175.10 176.22 3cx5 s ALA 111 N 1.60 3.41 0.25 5.51 0.00 -1.26 -1.17 121.76 130.10 3cx5 s ALA 111 Ca 0.04 0.37 -0.05 0.00 0.00 0.00 0.00 51.96 52.32 3cx5 s ALA 111 Cb -0.17 -2.98 0.47 0.00 0.00 0.00 0.00 23.12 20.44 3cx5 s ALA 111 CO 0.06 0.28 1.68 -1.49 0.00 0.00 0.00 175.76 176.29 3cx5 h TRP 112 N 4.03 0.25 -0.88 0.00 4.06 -1.14 -1.44 115.95 120.81 3cx5 h TRP 112 Ca -0.47 0.04 0.25 0.00 2.06 0.00 0.00 58.89 60.77 3cx5 h TRP 112 Cb 1.20 0.01 -0.04 0.00 -1.00 0.00 0.00 29.16 29.33 3cx5 h TRP 112 CO 0.63 -0.11 0.63 0.07 -3.56 0.00 0.00 178.44 176.10 3cx5 h ARG 113 N 0.25 0.05 0.00 0.49 0.11 -1.22 -1.83 114.38 112.24 3cx5 h ARG 113 Ca 0.42 -0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.49 3cx5 h ARG 113 Cb 0.73 -0.01 -0.00 0.00 1.11 0.00 0.00 29.97 31.80 3cx5 h ARG 113 CO -0.53 0.03 -0.04 1.79 0.10 0.00 0.00 179.97 181.32 3cx5 h THR 114 N 0.05 0.12 0.00 0.08 1.35 -1.56 -2.55 112.91 110.40 3cx5 h THR 114 Ca 0.43 -0.55 -0.08 0.00 -0.55 0.00 0.00 66.41 65.65 3cx5 h THR 114 Cb 1.61 1.48 -0.01 0.00 -1.73 0.00 0.00 68.15 69.50 3cx5 h THR 114 CO -0.03 0.04 -0.40 -0.07 -0.25 0.00 0.00 175.52 174.81 3cx5 h LEU 115 N 0.00 0.00 -9.45 3.87 4.07 -1.48 -3.42 115.31 108.90 3cx5 h LEU 115 Ca -0.00 0.00 -0.53 0.00 0.08 0.00 0.00 57.88 57.43 3cx5 h LEU 115 Cb 0.48 0.00 0.03 0.00 1.08 0.00 0.00 40.66 42.25 3cx5 h LEU 115 CO 0.01 0.40 1.10 -0.69 -1.08 0.00 0.00 178.44 178.18 3cx5 s VAL 116 N -3.40 2.80 0.00 1.22 1.01 -0.96 -1.35 120.40 119.72 3cx5 s VAL 116 Ca 0.01 0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.18 3cx5 s VAL 116 Cb 0.10 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.35 3cx5 s VAL 116 CO 0.70 -0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.40 3cx5 n GLY 117 N 4.22 0.52 0.94 4.51 0.00 -0.31 -4.82 105.19 110.25 3cx5 n GLY 117 Ca 0.18 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.18 3cx5 n GLY 117 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3cx5 n VAL 118 N -2.73 0.49 0.00 1.61 0.31 -0.45 -4.93 118.33 112.63 3cx5 n VAL 118 Ca 0.00 0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.43 3cx5 n VAL 118 Cb 0.05 -1.57 0.00 0.00 -0.91 0.00 0.00 33.84 31.41 3cx5 n VAL 118 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3cx5 n SER 119 N -3.26 1.15 -4.05 4.52 3.41 -0.70 -4.86 113.62 109.83 3cx5 n SER 119 Ca -0.03 -0.13 -0.10 0.00 -0.26 0.00 0.00 58.87 58.35 3cx5 n SER 119 Cb 0.38 0.48 -0.07 0.00 -0.26 0.00 0.00 64.21 64.74 3cx5 n SER 119 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3cx5 s HIS 120 N -0.71 0.62 0.54 7.33 3.76 -1.10 -4.70 115.29 121.04 3cx5 s HIS 120 Ca 0.00 -0.94 -0.02 0.00 -0.15 0.00 0.00 55.06 53.95 3cx5 s HIS 120 Cb 0.00 -0.05 0.01 0.00 1.11 0.00 0.00 32.58 33.65 3cx5 s HIS 120 CO 0.00 -0.88 0.80 0.95 -0.85 0.00 0.00 174.74 174.76 3cx5 s THR 121 N -4.05 3.48 0.20 1.30 -4.23 -1.26 -1.16 115.64 109.92 3cx5 s THR 121 Ca 0.28 -0.33 -0.10 0.00 -1.18 0.00 0.00 61.69 60.36 3cx5 s THR 121 Cb 0.02 -3.34 0.13 0.00 1.34 0.00 0.00 72.50 70.65 3cx5 s THR 121 CO 0.10 -0.29 1.83 -1.13 -0.54 0.00 0.00 174.62 174.59 3cx5 h ASN 122 N 0.04 0.63 -0.15 3.99 -0.73 -1.95 -1.34 115.58 116.07 3cx5 h ASN 122 Ca -0.45 0.01 0.00 0.00 1.87 0.00 0.00 56.30 57.73 3cx5 h ASN 122 Cb 1.27 -0.12 -0.01 0.00 0.27 0.00 0.00 38.32 39.73 3cx5 h ASN 122 CO 0.58 0.43 0.10 -0.33 -0.37 0.00 0.00 177.43 177.84 3cx5 h GLU 123 N 0.77 0.20 -0.61 6.67 3.07 -1.99 -0.32 114.58 122.36 3cx5 h GLU 123 Ca 0.28 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 59.11 3cx5 h GLU 123 Cb 0.08 -0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 27.92 3cx5 h GLU 123 CO -0.13 0.14 0.34 0.93 -1.40 0.00 0.00 179.01 178.89 3cx5 h GLU 124 N 0.20 0.85 -0.51 2.33 5.08 -1.85 -1.87 114.58 118.82 3cx5 h GLU 124 Ca 0.06 -0.10 -0.12 0.00 -1.00 0.00 0.00 59.36 58.20 3cx5 h GLU 124 Cb -0.01 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 3cx5 h GLU 124 CO -0.01 0.64 -0.14 0.28 -1.00 0.00 0.00 179.01 178.78 3cx5 h VAL 125 N 0.83 1.27 -0.72 3.13 2.07 -1.03 -1.50 116.25 120.29 3cx5 h VAL 125 Ca 0.22 -1.28 -0.01 0.00 0.82 0.00 0.00 66.70 66.44 3cx5 h VAL 125 Cb 0.03 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 3cx5 h VAL 125 CO -0.04 0.45 0.42 -0.09 0.02 0.00 0.00 177.57 178.33 3cx5 h ARG 126 N 0.86 0.99 -0.39 1.57 2.43 -0.82 0.79 114.38 119.80 3cx5 h ARG 126 Ca 0.13 -0.10 -0.08 0.00 -0.81 0.00 0.00 59.98 59.12 3cx5 h ARG 126 Cb 0.69 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 30.02 3cx5 h ARG 126 CO 0.05 0.71 -0.10 -0.91 -1.51 0.00 0.00 179.97 178.22 3cx5 h ASN 127 N 0.98 0.67 -0.34 -3.80 -0.26 -1.14 -1.86 115.58 109.83 3cx5 h ASN 127 Ca 0.26 -0.19 -0.12 0.00 -0.56 0.00 0.00 56.30 55.69 3cx5 h ASN 127 Cb -0.01 -0.18 -0.01 0.00 -1.06 0.00 0.00 38.32 37.07 3cx5 h ASN 127 CO -0.05 0.80 -0.25 0.24 -1.06 0.00 0.00 177.43 177.11 3cx5 h MET 128 N 0.63 0.77 -0.56 0.81 2.86 -0.55 -3.19 114.93 115.69 3cx5 h MET 128 Ca 0.11 -0.38 -0.04 0.00 -2.06 0.00 0.00 59.70 57.34 3cx5 h MET 128 Cb 0.54 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.17 3cx5 h MET 128 CO 0.03 1.00 0.20 0.00 1.06 0.00 0.00 176.91 179.20 3cx5 h ALA 129 N 0.75 0.73 0.00 6.32 0.00 -0.69 -2.83 119.26 123.54 3cx5 h ALA 129 Ca 0.06 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3cx5 h ALA 129 Cb 0.82 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3cx5 h ALA 129 CO 0.07 0.36 0.00 0.39 0.00 0.00 0.00 179.25 180.07 3cx5 n GLU 130 N -4.47 0.02 0.07 0.00 1.02 -0.72 -1.92 120.64 114.64 3cx5 n GLU 130 Ca 0.03 0.31 0.13 0.00 -0.02 0.00 0.00 57.16 57.60 3cx5 n GLU 130 Cb 0.18 -1.50 0.47 0.00 -0.02 0.00 0.00 31.44 30.58 3cx5 n GLU 130 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3cx5 n GLU 131 N -1.47 0.15 -4.22 3.49 1.02 -1.07 -4.50 120.64 114.05 3cx5 n GLU 131 Ca 0.03 0.18 -0.26 0.00 -0.02 0.00 0.00 57.16 57.09 3cx5 n GLU 131 Cb 0.11 -1.70 -0.08 0.00 -0.02 0.00 0.00 31.44 29.76 3cx5 n GLU 131 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 3cx5 s PHE 132 N -3.09 2.82 -0.07 -0.32 0.40 -0.81 -5.03 117.98 111.88 3cx5 s PHE 132 Ca 0.11 -0.15 -0.01 0.00 -0.60 0.00 0.00 56.93 56.28 3cx5 s PHE 132 Cb 0.14 -1.36 -0.03 0.00 0.51 0.00 0.00 43.02 42.28 3cx5 s PHE 132 CO 0.52 0.52 -0.03 -1.21 0.70 0.00 0.00 175.22 175.73 3cx5 s GLU 133 N -3.00 2.87 0.15 0.44 2.02 -1.26 -1.22 118.70 118.70 3cx5 s GLU 133 Ca 0.27 -0.48 0.06 0.00 0.02 0.00 0.00 54.97 54.85 3cx5 s GLU 133 Cb -0.09 -2.70 -0.04 0.00 0.10 0.00 0.00 34.13 31.40 3cx5 s GLU 133 CO 0.18 0.68 -0.14 0.71 0.02 0.00 0.00 175.26 176.72 3cx5 s TYR 134 N -0.86 1.49 0.22 1.61 2.02 0.58 -4.90 117.35 117.52 3cx5 s TYR 134 Ca 0.13 -0.59 -0.30 0.00 -0.37 0.00 0.00 57.07 55.93 3cx5 s TYR 134 Cb -0.11 -0.75 -0.10 0.00 -0.40 0.00 0.00 41.96 40.61 3cx5 s TYR 134 CO 0.02 0.20 1.43 -0.51 -1.57 0.00 0.00 175.55 175.13 3cx5 s ASP 135 N -2.85 6.69 0.48 2.29 -0.00 -1.26 -1.16 116.67 120.86 3cx5 s ASP 135 Ca 0.15 2.60 0.05 0.00 -0.00 0.00 0.00 52.55 55.35 3cx5 s ASP 135 Cb -0.02 -2.62 -0.01 0.00 -0.00 0.00 0.00 42.92 40.27 3cx5 s ASP 135 CO 0.04 -0.69 0.25 -0.62 -0.00 0.00 0.00 175.17 174.15 3cx5 s ASP 136 N 0.49 4.48 0.40 0.27 3.68 -0.41 -4.82 116.67 120.75 3cx5 s ASP 136 Ca 0.60 -1.24 -0.26 0.00 2.13 0.00 0.00 52.55 53.78 3cx5 s ASP 136 Cb -0.41 0.07 -0.09 0.00 -1.45 0.00 0.00 42.92 41.04 3cx5 s ASP 136 CO 0.40 -0.83 1.23 -1.61 0.13 0.00 0.00 175.17 174.49 3cx5 s GLU 137 N -4.06 4.04 0.75 4.34 2.02 -1.26 -4.50 118.70 120.02 3cx5 s GLU 137 Ca 0.32 1.98 -0.14 0.00 0.02 0.00 0.00 54.97 57.15 3cx5 s GLU 137 Cb 0.01 -2.74 0.05 0.00 0.10 0.00 0.00 34.13 31.55 3cx5 s GLU 137 CO 0.18 -0.38 1.20 -1.25 0.02 0.00 0.00 175.26 175.04 3cx5 s PRO 138 N -2.23 2.03 1.06 0.39 0.04 -1.26 -4.54 135.00 130.48 3cx5 s PRO 138 Ca 0.56 1.73 -0.18 0.00 0.04 0.00 0.00 61.00 63.16 3cx5 s PRO 138 Cb -0.34 -1.82 0.26 0.00 0.04 0.00 0.00 34.50 32.64 3cx5 s PRO 138 CO 0.43 -1.92 0.93 -0.40 0.04 0.00 0.00 177.00 176.09 3cx5 n ASP 139 N -2.89 -1.98 0.28 6.66 3.85 -0.55 -4.78 116.55 117.14 3cx5 n ASP 139 Ca 0.13 -1.07 0.19 0.00 -0.71 0.00 0.00 54.79 53.34 3cx5 n ASP 139 Cb 0.50 -0.86 1.01 0.00 -1.35 0.00 0.00 41.12 40.42 3cx5 n ASP 139 CO 0.00 0.00 0.00 -0.33 -1.01 0.00 0.00 177.20 175.86 3cx5 h GLU 140 N 0.00 0.00 0.00 0.11 4.39 -1.95 0.27 114.58 117.40 3cx5 h GLU 140 Ca -0.35 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.35 3cx5 h GLU 140 Cb 1.08 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.73 3cx5 h GLU 140 CO 0.23 0.00 -0.73 1.04 -1.16 0.00 0.00 179.01 178.39 3cx5 n GLN 141 N -2.83 0.23 -0.14 2.33 3.00 -1.26 -4.94 117.38 113.77 3cx5 n GLN 141 Ca -0.02 0.04 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 3cx5 n GLN 141 Cb 0.08 -1.62 0.00 0.00 0.00 0.00 0.00 30.24 28.70 3cx5 n GLN 141 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3cx5 n GLY 142 N 1.38 0.57 3.74 1.08 0.00 0.08 -5.06 105.19 106.98 3cx5 n GLY 142 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 3cx5 n GLY 142 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3cx5 s ASN 143 N -2.99 7.14 0.53 1.61 0.02 -1.26 -4.72 114.94 115.27 3cx5 s ASN 143 Ca 0.00 2.19 -0.21 0.00 -1.02 0.00 0.00 52.86 53.82 3cx5 s ASN 143 Cb 0.00 -2.61 -0.06 0.00 0.02 0.00 0.00 41.25 38.61 3cx5 s ASN 143 CO 0.00 -0.32 1.21 -2.16 0.02 0.00 0.00 177.10 175.85 3cx5 s PRO 144 N -0.32 3.35 0.07 -0.60 0.04 -1.26 -1.48 135.00 134.81 3cx5 s PRO 144 Ca 0.51 1.87 -0.09 0.00 0.04 0.00 0.00 61.00 63.33 3cx5 s PRO 144 Cb -0.32 -2.19 0.00 0.00 0.04 0.00 0.00 34.50 32.04 3cx5 s PRO 144 CO 0.36 -0.91 0.19 -1.59 0.04 0.00 0.00 177.00 175.10 3cx5 s LYS 145 N -3.00 0.79 0.32 4.56 -2.85 -1.26 -4.86 119.74 113.44 3cx5 s LYS 145 Ca 0.70 -0.83 0.07 0.00 -1.00 0.00 0.00 55.97 54.91 3cx5 s LYS 145 Cb -0.31 0.32 -0.03 0.00 -2.06 0.00 0.00 37.83 35.75 3cx5 s LYS 145 CO 0.36 -0.24 0.25 0.15 0.10 0.00 0.00 175.35 175.97 3cx5 s LYS 146 N -3.38 2.72 0.07 1.78 -0.14 -1.26 -1.28 119.74 118.25 3cx5 s LYS 146 Ca 0.01 -1.27 -0.16 0.00 -1.36 0.00 0.00 55.97 53.19 3cx5 s LYS 146 Cb 0.03 -2.46 0.03 0.00 -1.68 0.00 0.00 37.83 33.74 3cx5 s LYS 146 CO -0.08 0.16 0.37 -0.98 -0.76 0.00 0.00 175.35 174.06 3cx5 s ARG 147 N -3.95 0.92 0.59 1.68 1.70 -0.31 -4.77 118.95 114.82 3cx5 s ARG 147 Ca 0.39 -0.52 -0.17 0.00 -0.47 0.00 0.00 55.73 54.96 3cx5 s ARG 147 Cb -0.06 0.40 -0.03 0.00 -0.57 0.00 0.00 34.95 34.69 3cx5 s ARG 147 CO 0.26 -0.32 1.10 -1.25 -1.08 0.00 0.00 175.30 174.00 3cx5 s PRO 148 N -2.90 3.18 0.84 3.89 0.04 -1.26 -0.31 135.00 138.49 3cx5 s PRO 148 Ca -0.03 1.41 -0.10 0.00 0.04 0.00 0.00 61.00 62.32 3cx5 s PRO 148 Cb 0.00 -2.00 0.10 0.00 0.04 0.00 0.00 34.50 32.64 3cx5 s PRO 148 CO -0.05 -0.95 1.11 0.20 0.04 0.00 0.00 177.00 177.35 3cx5 s GLY 149 N -2.32 1.67 0.31 0.56 0.00 -0.36 -4.72 107.32 102.46 3cx5 s GLY 149 Ca 0.68 0.34 0.03 0.00 0.00 0.00 0.00 44.72 45.77 3cx5 s GLY 149 CO 0.34 0.73 0.14 -1.59 0.00 0.00 0.00 173.10 172.72 3cx5 s LYS 150 N -4.81 1.62 0.53 2.90 -2.85 -1.26 -3.57 119.74 112.29 3cx5 s LYS 150 Ca 0.63 -1.93 0.23 0.00 -1.00 0.00 0.00 55.97 53.91 3cx5 s LYS 150 Cb -0.19 -0.24 1.36 0.00 -2.06 0.00 0.00 37.83 36.70 3cx5 s LYS 150 CO 0.57 -0.42 2.03 -0.07 0.10 0.00 0.00 175.35 177.56 3cx5 h LEU 151 N 2.17 0.01 -0.35 2.77 3.38 -1.93 -1.75 115.31 119.61 3cx5 h LEU 151 Ca -0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.62 3cx5 h LEU 151 Cb 1.25 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 3cx5 h LEU 151 CO 0.55 0.01 0.00 0.77 0.09 0.00 0.00 178.44 179.86 3cx5 h SER 152 N 0.01 0.00 -4.30 -0.43 4.64 -1.96 0.08 113.55 111.59 3cx5 h SER 152 Ca 0.20 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 61.01 3cx5 h SER 152 Cb 0.79 0.00 0.10 0.00 -0.31 0.00 0.00 62.40 62.98 3cx5 h SER 152 CO -0.00 0.00 0.36 -1.81 -0.87 0.00 0.00 176.83 174.50 3cx5 s ASP 153 N -5.57 5.20 0.04 4.97 1.01 -0.66 -4.79 116.67 116.87 3cx5 s ASP 153 Ca 0.06 1.73 -0.08 0.00 0.71 0.00 0.00 52.55 54.98 3cx5 s ASP 153 Cb 0.08 -2.51 -0.05 0.00 1.01 0.00 0.00 42.92 41.44 3cx5 s ASP 153 CO 0.61 -1.56 0.33 -0.31 0.21 0.00 0.00 175.17 174.44 3cx5 s TYR 154 N -2.86 3.58 0.00 4.23 2.02 -1.26 -1.05 117.35 122.00 3cx5 s TYR 154 Ca 0.60 0.66 -0.34 0.00 -0.37 0.00 0.00 57.07 57.62 3cx5 s TYR 154 Cb -0.16 -2.06 -0.13 0.00 -0.40 0.00 0.00 41.96 39.22 3cx5 s TYR 154 CO 0.51 0.56 1.76 -0.89 -1.57 0.00 0.00 175.55 175.93 3cx5 n ILE 155 N 0.97 0.36 -2.52 2.71 5.41 -0.32 -4.86 119.36 121.11 3cx5 n ILE 155 Ca -0.09 -0.06 -0.36 0.00 1.00 0.00 0.00 62.75 63.23 3cx5 n ILE 155 Cb 0.52 -1.73 -0.04 0.00 -0.71 0.00 0.00 39.64 37.69 3cx5 n ILE 155 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 3cx5 s PRO 156 N 2.85 4.02 0.50 0.38 0.04 -1.26 -4.21 135.00 137.32 3cx5 s PRO 156 Ca 0.88 1.49 -0.02 0.00 0.04 0.00 0.00 61.00 63.38 3cx5 s PRO 156 Cb -0.69 -2.39 -0.00 0.00 0.04 0.00 0.00 34.50 31.45 3cx5 s PRO 156 CO 0.47 -0.27 0.76 0.20 0.04 0.00 0.00 177.00 178.20 3cx5 s GLY 157 N -1.67 1.58 0.47 0.56 0.00 -1.26 -4.72 107.32 102.28 3cx5 s GLY 157 Ca 0.61 -0.91 0.27 0.00 0.00 0.00 0.00 44.72 44.69 3cx5 s GLY 157 CO 0.26 -0.70 1.79 -0.56 0.00 0.00 0.00 173.10 173.89 3cx5 h PRO 158 N 0.18 0.00 -6.58 2.90 0.13 -1.83 -3.45 132.00 123.35 3cx5 h PRO 158 Ca -0.46 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 63.98 3cx5 h PRO 158 Cb 1.25 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.15 3cx5 h PRO 158 CO 0.59 0.08 -0.82 0.71 -0.23 0.00 0.00 178.00 178.32 3cx5 s TYR 159 N -3.45 2.51 -0.09 1.56 1.51 -1.26 -5.02 117.35 113.11 3cx5 s TYR 159 Ca 0.03 -0.29 0.23 0.00 -1.01 0.00 0.00 57.07 56.03 3cx5 s TYR 159 Cb 0.08 -1.47 0.64 0.00 -0.11 0.00 0.00 41.96 41.09 3cx5 s TYR 159 CO 0.62 0.20 1.70 -1.00 -1.11 0.00 0.00 175.55 175.96 3cx5 h PRO 160 N 4.74 0.00 -2.85 -1.71 0.13 -1.96 -3.47 132.00 126.87 3cx5 h PRO 160 Ca -0.47 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 64.74 3cx5 h PRO 160 Cb 1.15 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.21 3cx5 h PRO 160 CO 0.47 0.20 0.28 0.54 -0.23 0.00 0.00 178.00 179.26 3cx5 s ASN 161 N -6.18 -0.28 0.23 1.44 2.20 -1.26 -5.06 114.94 106.03 3cx5 s ASN 161 Ca 0.03 -0.50 -0.08 0.00 -0.94 0.00 0.00 52.86 51.37 3cx5 s ASN 161 Cb 0.08 0.66 0.23 0.00 -2.00 0.00 0.00 41.25 40.22 3cx5 s ASN 161 CO 0.66 -1.21 1.88 -0.08 -2.94 0.00 0.00 177.10 175.41 3cx5 h GLU 162 N 2.00 1.02 -0.91 3.55 4.81 -2.00 -2.20 114.58 120.85 3cx5 h GLU 162 Ca -0.22 -0.06 0.04 0.00 -0.13 0.00 0.00 59.36 59.00 3cx5 h GLU 162 Cb 1.25 -0.23 -0.06 0.00 0.63 0.00 0.00 28.75 30.35 3cx5 h GLU 162 CO 0.25 0.67 0.59 1.96 -0.73 0.00 0.00 179.01 181.75 3cx5 h GLN 163 N 1.05 1.08 -0.41 1.92 7.50 -1.99 -0.93 115.11 123.33 3cx5 h GLN 163 Ca 0.32 -0.07 -0.13 0.00 0.50 0.00 0.00 58.65 59.27 3cx5 h GLN 163 Cb -0.02 -0.24 -0.01 0.00 0.05 0.00 0.00 27.48 27.25 3cx5 h GLN 163 CO -0.10 0.72 -0.28 0.00 -1.50 0.00 0.00 178.83 177.67 3cx5 h ALA 164 N 1.39 0.74 -0.43 3.87 0.00 -1.87 -1.68 119.26 121.28 3cx5 h ALA 164 Ca 0.37 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3cx5 h ALA 164 Cb 0.06 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3cx5 h ALA 164 CO -0.14 0.66 0.17 0.00 0.00 0.00 0.00 179.25 179.94 3cx5 h ALA 165 N 0.94 0.56 -0.48 0.00 0.00 -0.80 -2.34 119.26 117.14 3cx5 h ALA 165 Ca 0.09 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 3cx5 h ALA 165 Cb 0.83 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 3cx5 h ALA 165 CO 0.07 0.17 -0.14 0.00 0.00 0.00 0.00 179.25 179.35 3cx5 h ARG 166 N 0.55 0.92 -0.26 0.00 3.08 -1.13 -2.86 114.38 114.68 3cx5 h ARG 166 Ca 0.14 -0.34 -0.02 0.00 0.07 0.00 0.00 59.98 59.83 3cx5 h ARG 166 Cb 0.20 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 3cx5 h ARG 166 CO -0.01 0.99 0.08 0.00 -1.07 0.00 0.00 179.97 179.96 3cx5 h ALA 167 N 1.02 1.65 -0.01 0.04 0.00 -1.10 0.37 119.26 121.23 3cx5 h ALA 167 Ca 0.13 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3cx5 h ALA 167 Cb 0.68 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3cx5 h ALA 167 CO 0.05 0.27 -0.03 0.00 0.00 0.00 0.00 179.25 179.54 3cx5 n ALA 168 N -2.49 2.63 -2.68 0.00 0.00 -0.90 -4.23 120.51 112.84 3cx5 n ALA 168 Ca 0.01 -0.44 -0.05 0.00 0.00 0.00 0.00 53.44 52.95 3cx5 n ALA 168 Cb 0.15 -1.16 0.04 0.00 0.00 0.00 0.00 19.45 18.48 3cx5 n ALA 168 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3cx5 n ASN 169 N 0.10 2.22 -3.88 0.00 3.02 -0.80 -4.99 115.26 110.92 3cx5 n ASN 169 Ca 0.18 -2.40 -0.26 0.00 -0.03 0.00 0.00 54.58 52.07 3cx5 n ASN 169 Cb 0.36 -0.46 0.01 0.00 -0.61 0.00 0.00 39.78 39.08 3cx5 n ASN 169 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3cx5 n GLN 170 N -0.59 -4.42 0.00 3.52 6.02 -1.13 -1.32 117.38 119.46 3cx5 n GLN 170 Ca 0.14 0.53 0.00 0.00 -0.01 0.00 0.00 57.00 57.66 3cx5 n GLN 170 Cb 0.83 -5.06 0.00 0.00 1.02 0.00 0.00 30.24 27.03 3cx5 n GLN 170 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3cx5 n GLY 171 N -1.71 2.72 3.87 1.08 0.00 0.13 -5.02 105.19 106.26 3cx5 n GLY 171 Ca -0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 3cx5 n GLY 171 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cx5 s ALA 172 N -2.84 3.49 -0.32 4.61 0.00 -0.43 -4.82 121.76 121.44 3cx5 s ALA 172 Ca 0.00 -0.18 -0.05 0.00 0.00 0.00 0.00 51.96 51.73 3cx5 s ALA 172 Cb 0.00 -2.54 0.04 0.00 0.00 0.00 0.00 23.12 20.62 3cx5 s ALA 172 CO 0.00 0.43 0.07 -1.17 0.00 0.00 0.00 175.76 175.09 3cx5 s LEU 173 N -2.92 4.15 -0.05 0.00 2.96 -1.26 -3.91 118.68 117.64 3cx5 s LEU 173 Ca 0.49 -1.16 -0.30 0.00 -0.22 0.00 0.00 54.13 52.95 3cx5 s LEU 173 Cb -0.11 -1.82 -0.05 0.00 0.50 0.00 0.00 46.19 44.71 3cx5 s LEU 173 CO 0.21 -0.30 1.61 -2.84 -1.32 0.00 0.00 176.35 173.71 3cx5 s PRO 174 N 1.36 4.19 0.72 0.98 0.02 -1.26 -4.97 135.00 136.04 3cx5 s PRO 174 Ca -0.03 2.14 -0.13 0.00 0.02 0.00 0.00 61.00 63.01 3cx5 s PRO 174 Cb -0.19 -3.92 0.03 0.00 0.02 0.00 0.00 34.50 30.43 3cx5 s PRO 174 CO 0.01 -0.81 1.11 -1.25 -0.33 0.00 0.00 177.00 175.73 3cx5 s PRO 175 N 3.83 2.47 0.41 5.54 0.04 -1.26 -4.80 135.00 141.23 3cx5 s PRO 175 Ca 0.71 1.30 -0.26 0.00 0.04 0.00 0.00 61.00 62.80 3cx5 s PRO 175 Cb -0.33 -1.91 -0.08 0.00 0.04 0.00 0.00 34.50 32.22 3cx5 s PRO 175 CO 0.28 -1.50 1.28 0.34 0.04 0.00 0.00 177.00 177.45 3cx5 s ASP 176 N -2.95 6.28 0.00 6.66 2.15 -1.26 -4.50 116.67 123.05 3cx5 s ASP 176 Ca 0.64 2.60 0.19 0.00 0.43 0.00 0.00 52.55 56.42 3cx5 s ASP 176 Cb -0.19 -2.63 0.45 0.00 -0.30 0.00 0.00 42.92 40.24 3cx5 s ASP 176 CO 0.49 -0.87 1.37 0.18 -0.17 0.00 0.00 175.17 176.17 3cx5 n LEU 177 N 0.03 3.39 -0.02 -1.34 4.77 -0.84 -4.46 117.00 118.53 3cx5 n LEU 177 Ca 0.04 -1.78 0.04 0.00 -0.03 0.00 0.00 56.01 54.29 3cx5 n LEU 177 Cb 0.44 -0.31 0.42 0.00 -2.33 0.00 0.00 43.42 41.64 3cx5 n LEU 177 CO 0.55 0.80 1.17 0.28 -1.33 0.00 0.00 177.39 178.86 3cx5 h SER 178 N 3.58 0.49 0.00 -1.43 0.02 -1.91 -3.05 113.55 111.25 3cx5 h SER 178 Ca 0.00 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 3cx5 h SER 178 Cb 0.88 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.30 3cx5 h SER 178 CO 0.00 0.35 0.00 0.18 -1.14 0.00 0.00 176.83 176.22 3cx5 n LEU 179 N -4.47 1.85 -0.31 5.07 4.77 -1.26 -2.11 117.00 120.53 3cx5 n LEU 179 Ca 0.04 -1.85 0.19 0.00 -0.03 0.00 0.00 56.01 54.36 3cx5 n LEU 179 Cb 0.08 0.00 0.45 0.00 -2.33 0.00 0.00 43.42 41.61 3cx5 n LEU 179 CO 0.35 0.46 1.21 -0.29 -1.33 0.00 0.00 177.39 177.79 3cx5 h ILE 180 N 0.21 0.61 -0.40 -0.08 6.09 -1.75 -0.14 117.51 122.05 3cx5 h ILE 180 Ca 0.00 -0.18 -0.07 0.00 -1.37 0.00 0.00 64.86 63.25 3cx5 h ILE 180 Cb 0.53 0.06 -0.02 0.00 0.47 0.00 0.00 36.82 37.86 3cx5 h ILE 180 CO 0.00 0.09 -0.03 0.58 -3.07 0.00 0.00 178.15 175.72 3cx5 h VAL 181 N 0.51 1.23 0.00 2.19 2.07 -1.83 -2.80 116.25 117.62 3cx5 h VAL 181 Ca 0.56 -0.96 0.00 0.00 0.82 0.00 0.00 66.70 67.12 3cx5 h VAL 181 Cb 1.24 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 31.97 3cx5 h VAL 181 CO -0.30 0.33 -0.86 0.11 0.02 0.00 0.00 177.57 176.87 3cx5 h LYS 182 N 0.61 0.00 -0.22 1.57 1.57 -1.47 -3.35 116.57 115.28 3cx5 h LYS 182 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3cx5 h LYS 182 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.75 3cx5 h LYS 182 CO 0.02 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.90 3cx5 n ALA 183 N -2.10 2.49 -2.96 3.86 0.00 -0.27 -4.84 120.51 116.69 3cx5 n ALA 183 Ca 0.01 -0.49 -0.18 0.00 0.00 0.00 0.00 53.44 52.78 3cx5 n ALA 183 Cb 0.52 -1.05 -0.15 0.00 0.00 0.00 0.00 19.45 18.77 3cx5 n ALA 183 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3cx5 s ARG 184 N -1.71 0.68 0.16 0.00 1.81 -1.15 -5.02 118.95 113.72 3cx5 s ARG 184 Ca 0.26 -0.23 -0.31 0.00 -1.72 0.00 0.00 55.73 53.73 3cx5 s ARG 184 Cb 0.14 -0.66 -0.09 0.00 -0.45 0.00 0.00 34.95 33.88 3cx5 s ARG 184 CO 0.20 0.10 1.39 -1.58 -0.68 0.00 0.00 175.30 174.73 3cx5 s HIS 185 N 0.12 3.20 0.00 -0.53 5.65 -1.26 -2.28 115.29 120.19 3cx5 s HIS 185 Ca -0.01 1.00 0.00 0.00 0.25 0.00 0.00 55.06 56.30 3cx5 s HIS 185 Cb -0.06 -3.71 0.00 0.00 -1.18 0.00 0.00 32.58 27.63 3cx5 s HIS 185 CO -0.00 -2.40 0.00 0.41 -0.65 0.00 0.00 174.74 172.10 3cx5 n GLY 186 N 3.01 2.57 7.00 1.59 0.00 -1.26 -4.76 105.19 113.34 3cx5 n GLY 186 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3cx5 n GLY 186 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cx5 n GLY 187 N -0.74 2.99 0.27 -0.02 0.00 -0.97 -2.10 105.19 104.62 3cx5 n GLY 187 Ca 0.00 -0.06 0.02 0.00 0.00 0.00 0.00 46.02 45.97 3cx5 n GLY 187 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cx5 h ASP 189 N 0.61 0.83 -0.05 0.00 3.32 -1.73 -0.95 116.42 118.45 3cx5 h ASP 189 Ca 0.36 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.41 3cx5 h ASP 189 Cb 0.39 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.77 3cx5 h ASP 189 CO -0.28 0.55 -0.00 0.22 -1.72 0.00 0.00 179.24 178.01 3cx5 h TYR 190 N 0.98 0.10 -0.10 4.55 3.20 -1.13 -0.84 116.97 123.73 3cx5 h TYR 190 Ca 0.35 -0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.22 3cx5 h TYR 190 Cb 0.10 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.31 3cx5 h TYR 190 CO -0.03 0.40 -0.07 0.82 -1.64 0.00 0.00 178.16 177.63 3cx5 h ILE 191 N -0.23 0.79 -0.05 1.81 1.08 -1.08 -0.29 117.51 119.54 3cx5 h ILE 191 Ca 0.01 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.49 3cx5 h ILE 191 Cb 0.36 0.79 -0.01 0.00 -3.07 0.00 0.00 36.82 34.89 3cx5 h ILE 191 CO 0.00 0.00 -0.02 0.15 -0.69 0.00 0.00 178.15 177.60 3cx5 h PHE 192 N -0.08 -0.04 -0.73 1.37 3.57 -1.20 -1.85 116.94 117.99 3cx5 h PHE 192 Ca 0.06 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.59 3cx5 h PHE 192 Cb 0.17 0.03 -0.04 0.00 2.79 0.00 0.00 35.95 38.89 3cx5 h PHE 192 CO -0.18 -0.03 0.48 0.77 -2.23 0.00 0.00 178.31 177.12 3cx5 h SER 193 N -0.01 0.80 0.10 0.41 0.02 -0.90 -1.78 113.55 112.20 3cx5 h SER 193 Ca 0.03 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 3cx5 h SER 193 Cb 0.05 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.39 3cx5 h SER 193 CO -0.06 0.57 -0.05 0.25 -1.14 0.00 0.00 176.83 176.40 3cx5 h LEU 194 N 0.94 -0.12 -1.79 5.07 5.85 -0.74 0.10 115.31 124.62 3cx5 h LEU 194 Ca 0.28 -0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 3cx5 h LEU 194 Cb -0.05 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 3cx5 h LEU 194 CO -0.07 0.18 0.08 -0.07 -0.34 0.00 0.00 178.44 178.22 3cx5 h LEU 195 N -0.42 0.19 -2.53 2.25 3.38 -1.07 -2.63 115.31 114.48 3cx5 h LEU 195 Ca -0.01 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3cx5 h LEU 195 Cb 0.35 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3cx5 h LEU 195 CO 0.02 0.17 0.00 0.35 0.09 0.00 0.00 178.44 179.07 3cx5 n THR 196 N -4.48 0.75 -1.02 0.22 -2.24 -0.69 -4.63 114.28 102.17 3cx5 n THR 196 Ca -0.01 -0.87 0.06 0.00 -2.27 0.00 0.00 64.05 60.96 3cx5 n THR 196 Cb 0.10 0.71 0.29 0.00 -2.10 0.00 0.00 70.33 69.33 3cx5 n THR 196 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3cx5 n GLY 197 N 0.91 3.89 3.60 3.38 0.00 0.34 -4.94 105.19 112.37 3cx5 n GLY 197 Ca 0.14 -1.03 -0.42 0.00 0.00 0.00 0.00 46.02 44.71 3cx5 n GLY 197 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3cx5 s TYR 198 N -2.87 3.13 0.68 1.61 1.51 -1.26 -4.29 117.35 115.86 3cx5 s TYR 198 Ca 0.46 0.70 -0.11 0.00 -1.01 0.00 0.00 57.07 57.11 3cx5 s TYR 198 Cb 0.37 -3.42 -0.00 0.00 -0.11 0.00 0.00 41.96 38.79 3cx5 s TYR 198 CO 0.10 -0.71 1.07 -2.14 -1.11 0.00 0.00 175.55 172.75 3cx5 s PRO 199 N 3.17 3.11 0.38 -1.71 0.02 -1.26 -4.95 135.00 133.76 3cx5 s PRO 199 Ca 0.34 0.64 0.08 0.00 0.02 0.00 0.00 61.00 62.08 3cx5 s PRO 199 Cb -0.13 -2.03 0.77 0.00 0.02 0.00 0.00 34.50 33.13 3cx5 s PRO 199 CO 0.16 -0.90 1.93 -0.44 -0.33 0.00 0.00 177.00 177.42 3cx5 h ASP 200 N -0.56 0.29 -4.99 2.53 3.32 -1.96 -3.44 116.42 111.61 3cx5 h ASP 200 Ca -0.45 -0.05 -0.15 0.00 0.02 0.00 0.00 57.03 56.40 3cx5 h ASP 200 Cb 1.22 -0.08 -0.21 0.00 0.22 0.00 0.00 39.33 40.49 3cx5 h ASP 200 CO 0.62 0.40 -0.59 -1.61 -1.72 0.00 0.00 179.24 176.34 3cx5 s GLU 201 N -4.86 0.42 0.63 3.56 2.02 -1.26 -5.12 118.70 114.09 3cx5 s GLU 201 Ca -0.06 -0.52 -0.15 0.00 0.02 0.00 0.00 54.97 54.26 3cx5 s GLU 201 Cb 0.16 0.16 -0.02 0.00 0.10 0.00 0.00 34.13 34.53 3cx5 s GLU 201 CO 0.74 -0.09 1.07 -1.25 0.02 0.00 0.00 175.26 175.75 3cx5 s PRO 202 N -1.51 3.10 0.68 0.39 0.04 -1.26 -4.99 135.00 131.44 3cx5 s PRO 202 Ca -0.15 1.23 -0.17 0.00 0.04 0.00 0.00 61.00 61.96 3cx5 s PRO 202 Cb -0.08 -2.00 0.01 0.00 0.04 0.00 0.00 34.50 32.47 3cx5 s PRO 202 CO 0.00 -0.99 1.25 -1.25 0.04 0.00 0.00 177.00 176.04 3cx5 s PRO 203 N -4.21 2.37 0.18 0.56 0.04 -1.26 -4.89 135.00 127.79 3cx5 s PRO 203 Ca 0.64 1.91 -0.33 0.00 0.04 0.00 0.00 61.00 63.25 3cx5 s PRO 203 Cb -0.17 -1.84 -0.15 0.00 0.04 0.00 0.00 34.50 32.38 3cx5 s PRO 203 CO 0.41 -1.69 1.39 0.00 0.04 0.00 0.00 177.00 177.15 3cx5 n ALA 204 N -2.27 0.43 -0.06 8.56 0.00 -1.26 -2.02 120.51 123.89 3cx5 n ALA 204 Ca 0.15 0.45 0.00 0.00 0.00 0.00 0.00 53.44 54.04 3cx5 n ALA 204 Cb 0.49 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.73 3cx5 n ALA 204 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cx5 n GLY 205 N 2.53 1.26 3.60 0.00 0.00 -1.26 -5.02 105.19 106.29 3cx5 n GLY 205 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 3cx5 n GLY 205 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cx5 s VAL 206 N -2.50 4.41 -0.50 1.61 1.01 -0.86 -4.99 120.40 118.58 3cx5 s VAL 206 Ca 0.00 1.22 -0.25 0.00 0.00 0.00 0.00 61.98 62.96 3cx5 s VAL 206 Cb 0.00 -4.47 0.03 0.00 0.00 0.00 0.00 36.38 31.95 3cx5 s VAL 206 CO 0.00 -0.76 0.91 0.00 0.00 0.00 0.00 175.10 175.26 3cx5 s ALA 207 N 3.92 3.21 -0.26 5.51 0.00 -1.26 -4.93 121.76 127.95 3cx5 s ALA 207 Ca 0.43 -1.02 -0.10 0.00 0.00 0.00 0.00 51.96 51.26 3cx5 s ALA 207 Cb -0.10 -3.66 -0.05 0.00 0.00 0.00 0.00 23.12 19.31 3cx5 s ALA 207 CO 0.24 -2.19 0.17 -1.17 0.00 0.00 0.00 175.76 172.81 3cx5 s LEU 208 N 3.78 4.02 0.43 0.00 2.96 -1.26 -5.07 118.68 123.54 3cx5 s LEU 208 Ca 0.33 0.03 -0.26 0.00 -0.22 0.00 0.00 54.13 54.01 3cx5 s LEU 208 Cb -0.11 -2.10 -0.09 0.00 0.50 0.00 0.00 46.19 44.39 3cx5 s LEU 208 CO 0.23 0.01 1.43 -2.65 -1.32 0.00 0.00 176.35 174.04 3cx5 n PRO 209 N 4.68 2.32 -1.69 0.98 -0.02 -1.26 -4.90 135.00 135.11 3cx5 n PRO 209 Ca -0.15 0.82 -0.44 0.00 -2.02 0.00 0.00 63.50 61.71 3cx5 n PRO 209 Cb 0.52 -2.61 -0.03 0.00 -0.02 0.00 0.00 33.50 31.35 3cx5 n PRO 209 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3cx5 n PRO 210 N -0.03 2.33 -0.24 0.52 -0.02 -1.26 -1.31 135.00 134.99 3cx5 n PRO 210 Ca 0.04 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 3cx5 n PRO 210 Cb 0.41 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.28 3cx5 n PRO 210 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3cx5 n GLY 211 N 3.12 0.81 3.85 -1.23 0.00 -1.26 -5.05 105.19 105.43 3cx5 n GLY 211 Ca 0.15 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.95 3cx5 n GLY 211 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3cx5 s SER 212 N -2.91 5.50 0.09 1.61 0.15 -0.43 -4.81 113.70 112.90 3cx5 s SER 212 Ca 0.00 -0.33 0.05 0.00 0.70 0.00 0.00 55.95 56.36 3cx5 s SER 212 Cb 0.00 -1.23 -0.03 0.00 -1.71 0.00 0.00 66.02 63.04 3cx5 s SER 212 CO 0.00 -0.20 -0.13 0.20 1.20 0.00 0.00 173.24 174.31 3cx5 s ASN 213 N -3.94 1.63 -0.14 5.45 0.01 -0.12 -4.87 114.94 112.96 3cx5 s ASN 213 Ca 0.37 -0.70 -0.15 0.00 -0.71 0.00 0.00 52.86 51.68 3cx5 s ASN 213 Cb -0.07 -0.03 -0.05 0.00 0.41 0.00 0.00 41.25 41.51 3cx5 s ASN 213 CO 0.26 -0.14 0.34 -0.47 -1.51 0.00 0.00 177.10 175.58 3cx5 s TYR 214 N -1.73 3.49 -0.21 2.20 5.04 -1.26 -0.70 117.35 124.17 3cx5 s TYR 214 Ca 0.01 0.69 -0.04 0.00 -2.44 0.00 0.00 57.07 55.30 3cx5 s TYR 214 Cb -0.07 -2.38 0.11 0.00 0.35 0.00 0.00 41.96 39.96 3cx5 s TYR 214 CO 0.02 0.26 0.34 1.21 -1.34 0.00 0.00 175.55 176.03 3cx5 s ASN 215 N 0.37 0.41 0.46 4.32 3.84 -0.18 -4.25 114.94 119.91 3cx5 s ASN 215 Ca 0.19 0.30 0.15 0.00 0.21 0.00 0.00 52.86 53.71 3cx5 s ASN 215 Cb -0.14 0.95 1.11 0.00 -0.55 0.00 0.00 41.25 42.62 3cx5 s ASN 215 CO 0.06 -0.29 2.04 1.55 -2.79 0.00 0.00 177.10 177.67 3cx5 h PRO 216 N 8.22 0.27 0.00 0.43 0.13 -1.81 -2.42 132.00 136.82 3cx5 h PRO 216 Ca -0.18 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 3cx5 h PRO 216 Cb 1.14 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.21 3cx5 h PRO 216 CO 0.23 0.18 0.00 0.66 -0.23 0.00 0.00 178.00 178.84 3cx5 n TYR 217 N -4.47 0.42 -3.42 1.56 4.02 -1.26 -0.41 117.16 113.61 3cx5 n TYR 217 Ca 0.05 0.15 -0.37 0.00 -0.01 0.00 0.00 57.90 57.72 3cx5 n TYR 217 Cb 0.27 -0.74 -0.06 0.00 -0.02 0.00 0.00 39.34 38.79 3cx5 n TYR 217 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 176.86 175.97 3cx5 s PHE 218 N -3.12 3.53 0.04 -0.72 5.36 -0.91 -4.42 117.98 117.74 3cx5 s PHE 218 Ca 0.08 0.81 -0.35 0.00 -0.96 0.00 0.00 56.93 56.52 3cx5 s PHE 218 Cb 0.12 -2.44 -0.14 0.00 -0.34 0.00 0.00 43.02 40.22 3cx5 s PHE 218 CO 0.42 0.27 1.65 -2.30 -1.46 0.00 0.00 175.22 173.80 3cx5 n PRO 219 N 3.33 1.93 0.00 10.12 -0.02 -1.26 0.34 135.00 149.45 3cx5 n PRO 219 Ca -0.10 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 3cx5 n PRO 219 Cb 0.52 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 3cx5 n PRO 219 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3cx5 n GLY 220 N 3.66 2.57 3.87 -1.23 0.00 0.48 -4.43 105.19 110.11 3cx5 n GLY 220 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 3cx5 n GLY 220 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cx5 n GLY 221 N -2.00 1.89 3.33 -0.02 0.00 0.15 -4.84 105.19 103.71 3cx5 n GLY 221 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3cx5 n GLY 221 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3cx5 s SER 222 N -2.80 5.71 0.01 1.61 0.15 -1.26 -1.01 113.70 116.11 3cx5 s SER 222 Ca 0.00 -1.21 0.09 0.00 0.70 0.00 0.00 55.95 55.53 3cx5 s SER 222 Cb 0.00 -2.01 -0.02 0.00 -1.71 0.00 0.00 66.02 62.27 3cx5 s SER 222 CO 0.00 -0.46 -0.26 -0.51 1.20 0.00 0.00 173.24 173.21 3cx5 s ILE 223 N 1.51 2.10 -0.84 6.45 2.07 0.12 -4.91 121.20 127.70 3cx5 s ILE 223 Ca 0.02 -1.26 0.23 0.00 -1.41 0.00 0.00 60.65 58.24 3cx5 s ILE 223 Cb -0.21 -1.77 0.22 0.00 0.13 0.00 0.00 42.46 40.83 3cx5 s ILE 223 CO 0.05 0.47 1.73 0.00 -1.91 0.00 0.00 174.94 175.28 3cx5 n ALA 224 N 2.09 2.01 -2.72 1.50 0.00 -1.26 -0.95 120.51 121.19 3cx5 n ALA 224 Ca -0.16 -0.03 -0.36 0.00 0.00 0.00 0.00 53.44 52.88 3cx5 n ALA 224 Cb 0.51 -1.39 -0.07 0.00 0.00 0.00 0.00 19.45 18.50 3cx5 n ALA 224 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 3cx5 s MET 225 N -3.09 4.17 0.70 0.00 0.00 -1.26 -4.87 119.30 114.96 3cx5 s MET 225 Ca 0.09 0.07 -0.04 0.00 0.00 0.00 0.00 55.69 55.81 3cx5 s MET 225 Cb 0.13 -3.40 0.08 0.00 0.00 0.00 0.00 34.83 31.65 3cx5 s MET 225 CO 0.45 0.31 0.98 0.00 0.00 0.00 0.00 175.02 176.76 3cx5 s ALA 226 N 0.26 3.37 0.26 4.11 0.00 -1.26 -4.74 121.76 123.76 3cx5 s ALA 226 Ca 0.16 -1.24 -0.30 0.00 0.00 0.00 0.00 51.96 50.59 3cx5 s ALA 226 Cb -0.13 -2.35 -0.10 0.00 0.00 0.00 0.00 23.12 20.54 3cx5 s ALA 226 CO 0.04 -1.32 1.43 0.50 0.00 0.00 0.00 175.76 176.41 3cx5 s ARG 227 N -5.17 4.27 0.00 0.00 3.52 -1.26 -4.90 118.95 115.41 3cx5 s ARG 227 Ca 0.62 2.30 0.00 0.00 -0.13 0.00 0.00 55.73 58.52 3cx5 s ARG 227 Cb -0.09 -3.10 0.00 0.00 -1.56 0.00 0.00 34.95 30.20 3cx5 s ARG 227 CO 0.44 -0.40 0.00 1.33 -0.81 0.00 0.00 175.30 175.86 3cx5 n VAL 228 N 2.07 0.00 -3.31 7.11 0.24 -1.26 -5.02 118.33 118.16 3cx5 n VAL 228 Ca 0.06 -0.06 -0.39 0.00 -2.04 0.00 0.00 64.34 61.91 3cx5 n VAL 228 Cb 0.40 0.50 -0.07 0.00 -1.47 0.00 0.00 33.84 33.20 3cx5 n VAL 228 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3cx5 s LEU 229 N -2.44 4.12 0.01 1.34 1.43 -1.26 -5.05 118.68 116.82 3cx5 s LEU 229 Ca 0.00 0.55 0.02 0.00 -1.03 0.00 0.00 54.13 53.67 3cx5 s LEU 229 Cb 0.00 -2.60 -0.01 0.00 0.03 0.00 0.00 46.19 43.61 3cx5 s LEU 229 CO 0.00 -0.17 -0.07 -0.36 0.23 0.00 0.00 176.35 175.98 3cx5 s PHE 230 N 1.71 0.62 0.12 0.29 0.40 -1.26 -4.88 117.98 114.98 3cx5 s PHE 230 Ca 0.21 -0.21 -0.34 0.00 -0.60 0.00 0.00 56.93 55.98 3cx5 s PHE 230 Cb -0.15 -0.39 -0.17 0.00 0.51 0.00 0.00 43.02 42.82 3cx5 s PHE 230 CO 0.09 -0.02 1.06 -0.25 0.70 0.00 0.00 175.22 176.80 3cx5 n ASP 231 N 2.52 0.62 -1.45 1.36 8.00 -1.26 -2.34 116.55 124.00 3cx5 n ASP 231 Ca -0.16 1.14 -0.19 0.00 0.71 0.00 0.00 54.79 56.30 3cx5 n ASP 231 Cb 0.57 -1.09 -0.08 0.00 -0.02 0.00 0.00 41.12 40.50 3cx5 n ASP 231 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3cx5 n ASP 232 N 1.93 -5.51 0.16 -2.24 9.92 0.79 -4.85 116.55 116.75 3cx5 n ASP 232 Ca 0.17 0.47 0.13 0.00 -0.53 0.00 0.00 54.79 55.03 3cx5 n ASP 232 Cb 0.19 -4.68 0.52 0.00 -0.64 0.00 0.00 41.12 36.52 3cx5 n ASP 232 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3cx5 h MET 233 N 0.00 0.00 -6.26 -1.24 -0.00 -1.67 -3.42 114.93 102.34 3cx5 h MET 233 Ca -0.39 0.00 -0.59 0.00 -0.00 0.00 0.00 59.70 58.72 3cx5 h MET 233 Cb 1.31 0.00 -0.24 0.00 -0.00 0.00 0.00 31.60 32.67 3cx5 h MET 233 CO 0.57 0.00 -0.84 0.08 -0.00 0.00 0.00 176.91 176.71 3cx5 s VAL 234 N -3.38 1.79 -0.37 -0.10 1.01 -1.26 -5.09 120.40 113.00 3cx5 s VAL 234 Ca 0.04 -1.40 -0.01 0.00 0.00 0.00 0.00 61.98 60.61 3cx5 s VAL 234 Cb 0.09 -1.58 0.10 0.00 0.00 0.00 0.00 36.38 34.99 3cx5 s VAL 234 CO 0.45 0.11 0.12 -0.70 0.00 0.00 0.00 175.10 175.09 3cx5 s GLU 235 N -1.54 1.95 0.20 2.72 2.12 -1.26 -4.63 118.70 118.26 3cx5 s GLU 235 Ca 0.08 -1.73 -0.31 0.00 0.36 0.00 0.00 54.97 53.38 3cx5 s GLU 235 Cb -0.09 -3.41 -0.10 0.00 0.26 0.00 0.00 34.13 30.79 3cx5 s GLU 235 CO 0.03 -0.95 1.48 0.71 -0.54 0.00 0.00 175.26 175.99 3cx5 s TYR 236 N 1.10 3.07 0.27 5.30 4.12 -1.26 -4.92 117.35 125.03 3cx5 s TYR 236 Ca 0.06 0.87 -0.01 0.00 0.02 0.00 0.00 57.07 58.02 3cx5 s TYR 236 Cb -0.21 -3.83 0.48 0.00 -1.52 0.00 0.00 41.96 36.87 3cx5 s TYR 236 CO -0.05 -2.88 1.86 1.49 0.02 0.00 0.00 175.55 175.99 3cx5 h GLU 237 N 5.94 1.06 -0.00 -0.62 4.81 -1.98 -2.03 114.58 121.76 3cx5 h GLU 237 Ca -0.44 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 3cx5 h GLU 237 Cb 1.21 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 30.35 3cx5 h GLU 237 CO 0.84 0.70 -0.01 -0.40 -0.73 0.00 0.00 179.01 179.41 3cx5 n ASP 238 N -4.56 0.16 0.00 1.04 5.75 -1.26 -4.91 116.55 112.77 3cx5 n ASP 238 Ca 0.17 -0.83 0.00 0.00 -0.01 0.00 0.00 54.79 54.12 3cx5 n ASP 238 Cb 0.27 -0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.29 3cx5 n ASP 238 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3cx5 n GLY 239 N 1.10 0.75 3.74 6.12 0.00 -0.76 -5.04 105.19 111.09 3cx5 n GLY 239 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 3cx5 n GLY 239 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3cx5 s THR 240 N -2.63 2.89 -0.04 2.61 2.01 -1.26 -4.92 115.64 114.29 3cx5 s THR 240 Ca 0.00 0.73 -0.30 0.00 0.31 0.00 0.00 61.69 62.44 3cx5 s THR 240 Cb 0.00 -3.47 -0.07 0.00 0.01 0.00 0.00 72.50 68.97 3cx5 s THR 240 CO 0.00 0.11 1.93 -2.84 -0.69 0.00 0.00 174.62 173.13 3cx5 s PRO 241 N -0.18 3.94 -1.08 4.92 0.02 -1.26 -4.40 135.00 136.95 3cx5 s PRO 241 Ca 0.59 2.36 -0.08 0.00 0.02 0.00 0.00 61.00 63.89 3cx5 s PRO 241 Cb -0.40 -4.16 -0.13 0.00 0.02 0.00 0.00 34.50 29.83 3cx5 s PRO 241 CO 0.40 -1.17 2.99 0.00 -0.33 0.00 0.00 177.00 178.90 3cx5 n ALA 242 N 8.29 6.80 -1.35 -1.55 0.00 -1.26 -4.81 120.51 126.63 3cx5 n ALA 242 Ca 0.21 -2.83 -0.30 0.00 0.00 0.00 0.00 53.44 50.52 3cx5 n ALA 242 Cb 0.42 -3.03 0.11 0.00 0.00 0.00 0.00 19.45 16.95 3cx5 n ALA 242 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3cx5 s THR 243 N 2.02 3.07 0.23 0.00 -4.23 -1.26 -0.15 115.64 115.32 3cx5 s THR 243 Ca 0.64 0.35 -0.07 0.00 -1.18 0.00 0.00 61.69 61.43 3cx5 s THR 243 Cb 0.20 -2.93 0.22 0.00 1.34 0.00 0.00 72.50 71.33 3cx5 s THR 243 CO -0.04 -0.45 1.89 0.71 -0.54 0.00 0.00 174.62 176.19 3cx5 h THR 244 N -1.24 1.25 -0.15 3.99 1.35 -1.90 -1.04 112.91 115.17 3cx5 h THR 244 Ca -0.47 -0.52 -0.13 0.00 -0.55 0.00 0.00 66.41 64.74 3cx5 h THR 244 Cb 1.26 -0.06 -0.01 0.00 -1.73 0.00 0.00 68.15 67.61 3cx5 h THR 244 CO 0.55 0.25 -0.47 0.77 -0.25 0.00 0.00 175.52 176.38 3cx5 h SER 245 N 1.26 0.40 -0.34 5.36 4.64 -1.96 -0.88 113.55 122.03 3cx5 h SER 245 Ca 0.33 -0.19 -0.08 0.00 -0.47 0.00 0.00 61.79 61.38 3cx5 h SER 245 Cb -0.08 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 61.89 3cx5 h SER 245 CO -0.06 0.82 -0.11 -0.61 -0.87 0.00 0.00 176.83 175.99 3cx5 h GLN 246 N 0.30 0.67 -0.49 4.77 5.75 -1.76 -0.66 115.11 123.69 3cx5 h GLN 246 Ca 0.02 -0.27 -0.07 0.00 -0.15 0.00 0.00 58.65 58.18 3cx5 h GLN 246 Cb 0.94 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 29.45 3cx5 h GLN 246 CO 0.08 0.85 0.03 0.52 -2.65 0.00 0.00 178.83 177.67 3cx5 h MET 247 N 0.45 0.85 -0.63 1.69 2.86 -1.08 -0.93 114.93 118.14 3cx5 h MET 247 Ca 0.08 -0.25 -0.05 0.00 -2.06 0.00 0.00 59.70 57.42 3cx5 h MET 247 Cb 0.62 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 32.17 3cx5 h MET 247 CO 0.04 0.87 0.20 0.00 1.06 0.00 0.00 176.91 179.08 3cx5 h ALA 248 N 0.94 1.16 -0.45 6.32 0.00 -1.07 0.38 119.26 126.55 3cx5 h ALA 248 Ca 0.14 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 3cx5 h ALA 248 Cb 0.47 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3cx5 h ALA 248 CO 0.02 0.58 0.03 -0.22 0.00 0.00 0.00 179.25 179.66 3cx5 h LYS 249 N 0.93 0.77 -0.18 0.00 3.11 -0.88 -2.39 116.57 117.94 3cx5 h LYS 249 Ca 0.21 -0.23 -0.05 0.00 -2.81 0.00 0.00 60.65 57.77 3cx5 h LYS 249 Cb 0.26 -0.08 -0.00 0.00 -1.00 0.00 0.00 32.23 31.41 3cx5 h LYS 249 CO -0.01 0.82 -0.09 -0.44 -2.81 0.00 0.00 179.45 176.92 3cx5 h ASP 250 N 0.62 0.38 -0.27 4.20 3.32 -0.69 -2.54 116.42 121.44 3cx5 h ASP 250 Ca 0.13 -0.42 -0.07 0.00 0.02 0.00 0.00 57.03 56.69 3cx5 h ASP 250 Cb 0.45 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 3cx5 h ASP 250 CO 0.02 0.72 -0.06 -0.37 -1.72 0.00 0.00 179.24 177.82 3cx5 h VAL 251 N 0.05 1.23 -0.57 -1.35 -1.51 -0.97 -1.79 116.25 111.34 3cx5 h VAL 251 Ca 0.04 -1.01 -0.07 0.00 -1.23 0.00 0.00 66.70 64.43 3cx5 h VAL 251 Cb 0.57 1.01 -0.02 0.00 -2.13 0.00 0.00 31.29 30.72 3cx5 h VAL 251 CO 0.03 0.34 0.06 0.74 -1.23 0.00 0.00 177.57 177.51 3cx5 h THR 252 N 0.60 1.25 -0.32 7.19 2.02 -1.43 0.26 112.91 122.48 3cx5 h THR 252 Ca 0.12 -1.00 -0.07 0.00 0.77 0.00 0.00 66.41 66.23 3cx5 h THR 252 Cb 0.47 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.61 3cx5 h THR 252 CO 0.02 0.37 -0.06 0.74 0.37 0.00 0.00 175.52 176.96 3cx5 h THR 253 N 0.88 1.27 -0.42 3.16 2.02 -1.19 0.80 112.91 119.44 3cx5 h THR 253 Ca 0.18 -1.08 -0.01 0.00 0.77 0.00 0.00 66.41 66.27 3cx5 h THR 253 Cb 0.43 1.33 -0.02 0.00 -1.74 0.00 0.00 68.15 68.15 3cx5 h THR 253 CO 0.01 0.35 0.24 0.15 0.37 0.00 0.00 175.52 176.64 3cx5 h PHE 254 N 0.39 0.57 -0.04 3.16 3.57 -1.10 -1.73 116.94 121.74 3cx5 h PHE 254 Ca 0.08 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.51 3cx5 h PHE 254 Cb 0.54 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 3cx5 h PHE 254 CO 0.05 0.42 -0.25 -0.07 -2.23 0.00 0.00 178.31 176.23 3cx5 h LEU 255 N 0.54 0.07 -0.54 0.59 3.38 -0.29 -0.78 115.31 118.29 3cx5 h LEU 255 Ca 0.15 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.97 3cx5 h LEU 255 Cb 0.04 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3cx5 h LEU 255 CO -0.03 0.33 -0.26 -1.13 0.09 0.00 0.00 178.44 177.44 3cx5 h ASN 256 N 0.07 0.93 -0.52 -0.43 -0.00 -0.31 -1.99 115.58 113.33 3cx5 h ASN 256 Ca 0.01 -0.37 -0.11 0.00 -0.00 0.00 0.00 56.30 55.84 3cx5 h ASN 256 Cb 0.49 -0.26 -0.02 0.00 -0.00 0.00 0.00 38.32 38.53 3cx5 h ASN 256 CO 0.03 1.13 -0.08 -0.25 -0.00 0.00 0.00 177.43 178.27 3cx5 h TRP 257 N 0.77 1.10 -0.79 0.67 7.01 -0.79 -0.28 115.95 123.64 3cx5 h TRP 257 Ca 0.09 -0.21 0.02 0.00 2.11 0.00 0.00 58.89 60.90 3cx5 h TRP 257 Cb 0.82 -0.28 -0.04 0.00 -2.10 0.00 0.00 29.16 27.56 3cx5 h TRP 257 CO 0.05 1.01 0.53 0.00 -2.79 0.00 0.00 178.44 177.24 3cx5 h ALA 259 N 1.52 0.26 -2.05 0.00 0.00 -0.81 -3.41 119.26 114.77 3cx5 h ALA 259 Ca 0.30 -0.85 -0.57 0.00 0.00 0.00 0.00 54.91 53.79 3cx5 h ALA 259 Cb -0.06 -0.05 -0.40 0.00 0.00 0.00 0.00 17.79 17.28 3cx5 h ALA 259 CO -0.08 1.02 -0.99 0.39 0.00 0.00 0.00 179.25 179.60 3cx5 n GLU 260 N -3.52 1.14 0.16 0.00 1.02 -0.14 -4.95 120.64 114.34 3cx5 n GLU 260 Ca -0.05 -3.57 0.12 0.00 -0.02 0.00 0.00 57.16 53.64 3cx5 n GLU 260 Cb 0.95 -1.46 0.56 0.00 -0.02 0.00 0.00 31.44 31.47 3cx5 n GLU 260 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 3cx5 h PRO 261 N 4.05 0.00 -0.00 3.49 0.13 -1.39 -1.89 132.00 136.39 3cx5 h PRO 261 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 3cx5 h PRO 261 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 3cx5 h PRO 261 CO 0.55 0.00 -0.23 -0.85 -0.23 0.00 0.00 178.00 177.24 3cx5 n GLU 262 N -2.31 0.14 -0.23 0.86 0.00 -1.26 -4.55 120.64 113.28 3cx5 n GLU 262 Ca 0.00 -0.05 -0.06 0.00 0.00 0.00 0.00 57.16 57.05 3cx5 n GLU 262 Cb 0.14 -1.50 -0.05 0.00 0.00 0.00 0.00 31.44 30.03 3cx5 n GLU 262 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.13 178.71 3cx5 n HIS 263 N -1.39 -0.24 -0.19 -1.84 -0.00 -0.71 -0.03 115.22 110.82 3cx5 n HIS 263 Ca 0.08 0.68 -0.07 0.00 0.46 0.00 0.00 57.72 58.87 3cx5 n HIS 263 Cb 0.33 -0.51 0.02 0.00 -0.12 0.00 0.00 29.99 29.71 3cx5 n HIS 263 CO 0.00 0.00 0.00 -0.44 0.46 0.00 0.00 176.34 176.36 3cx5 h ASP 264 N 0.00 0.67 -0.05 0.26 3.32 -1.85 -2.19 116.42 116.58 3cx5 h ASP 264 Ca 0.09 -0.09 -0.17 0.00 0.02 0.00 0.00 57.03 56.88 3cx5 h ASP 264 Cb 0.22 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.60 3cx5 h ASP 264 CO -0.51 0.56 -0.56 -0.08 -1.72 0.00 0.00 179.24 176.93 3cx5 h GLU 265 N 0.72 0.65 -0.54 3.56 4.57 -1.66 -2.69 114.58 119.19 3cx5 h GLU 265 Ca 0.19 -0.42 -0.00 0.00 -1.18 0.00 0.00 59.36 57.95 3cx5 h GLU 265 Cb 0.04 0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.66 3cx5 h GLU 265 CO -0.03 1.03 0.34 -0.09 -1.18 0.00 0.00 179.01 179.08 3cx5 h ARG 266 N 0.49 0.73 -0.26 1.92 2.43 -0.32 -0.47 114.38 118.91 3cx5 h ARG 266 Ca 0.01 -0.06 -0.12 0.00 -0.81 0.00 0.00 59.98 59.00 3cx5 h ARG 266 Cb 1.13 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.51 3cx5 h ARG 266 CO 0.11 0.52 -0.34 0.87 -1.51 0.00 0.00 179.97 179.62 3cx5 h LYS 267 N 0.73 0.55 -0.37 0.20 1.57 -1.41 -0.08 116.57 117.77 3cx5 h LYS 267 Ca 0.20 -0.25 -0.05 0.00 -1.87 0.00 0.00 60.65 58.68 3cx5 h LYS 267 Cb -0.03 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 3cx5 h LYS 267 CO -0.04 0.82 0.05 -0.09 -0.57 0.00 0.00 179.45 179.62 3cx5 h ARG 268 N 0.47 0.61 -0.19 3.15 2.43 -1.10 -2.08 114.38 117.67 3cx5 h ARG 268 Ca 0.05 -0.17 -0.08 0.00 -0.81 0.00 0.00 59.98 58.97 3cx5 h ARG 268 Cb 0.81 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.28 3cx5 h ARG 268 CO 0.07 0.69 -0.23 -0.07 -1.51 0.00 0.00 179.97 178.92 3cx5 h LEU 269 N 0.45 0.34 -1.10 3.80 3.38 -0.95 -2.51 115.31 118.72 3cx5 h LEU 269 Ca 0.11 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3cx5 h LEU 269 Cb 0.38 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 3cx5 h LEU 269 CO 0.01 0.58 0.25 1.23 0.09 0.00 0.00 178.44 180.60 3cx5 h GLY 270 N 0.97 0.95 0.94 0.83 0.00 -0.66 0.03 103.07 106.12 3cx5 h GLY 270 Ca 0.05 -0.48 -0.05 0.00 0.00 0.00 0.00 47.33 46.85 3cx5 h GLY 270 CO 0.04 0.46 0.04 -2.00 0.00 0.00 0.00 176.54 175.08 3cx5 h LEU 271 N 0.87 0.65 -0.35 3.11 5.85 -0.94 -0.12 115.31 124.38 3cx5 h LEU 271 Ca 0.21 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 3cx5 h LEU 271 Cb 0.16 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 3cx5 h LEU 271 CO -0.02 0.76 0.17 0.11 -0.34 0.00 0.00 178.44 179.12 3cx5 h LYS 272 N 0.51 0.51 -0.41 1.25 1.57 -1.31 -2.34 116.57 116.36 3cx5 h LYS 272 Ca 0.12 -0.08 -0.04 0.00 -1.87 0.00 0.00 60.65 58.78 3cx5 h LYS 272 Cb 0.40 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 3cx5 h LYS 272 CO 0.01 0.47 0.10 1.15 -0.57 0.00 0.00 179.45 180.61 3cx5 h THR 273 N 0.43 1.23 -0.23 -0.16 2.02 -0.81 -2.07 112.91 113.32 3cx5 h THR 273 Ca 0.12 -0.78 -0.14 0.00 0.77 0.00 0.00 66.41 66.38 3cx5 h THR 273 Cb 0.13 0.96 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 3cx5 h THR 273 CO -0.01 0.27 -0.44 0.58 0.37 0.00 0.00 175.52 176.29 3cx5 h VAL 274 N 0.52 1.31 -0.01 3.16 2.07 -1.01 -1.63 116.25 120.65 3cx5 h VAL 274 Ca 0.13 -1.62 -0.00 0.00 0.82 0.00 0.00 66.70 66.02 3cx5 h VAL 274 Cb 0.31 1.61 -0.00 0.00 -1.52 0.00 0.00 31.29 31.68 3cx5 h VAL 274 CO 0.00 0.51 0.00 0.40 0.02 0.00 0.00 177.57 178.50 3cx5 h ILE 275 N 0.45 1.21 -0.44 4.57 2.04 -1.35 0.30 117.51 124.29 3cx5 h ILE 275 Ca 0.03 -0.63 -0.01 0.00 1.00 0.00 0.00 64.86 65.26 3cx5 h ILE 275 Cb 0.95 1.61 -0.02 0.00 -0.74 0.00 0.00 36.82 38.62 3cx5 h ILE 275 CO 0.08 0.17 0.25 0.40 0.00 0.00 0.00 178.15 179.05 3cx5 h ILE 276 N -0.23 1.16 -0.33 -0.67 2.04 -1.38 -1.97 117.51 116.13 3cx5 h ILE 276 Ca 0.00 -0.39 -0.11 0.00 1.00 0.00 0.00 64.86 65.37 3cx5 h ILE 276 Cb 0.27 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 3cx5 h ILE 276 CO 0.00 0.16 -0.24 -0.07 0.00 0.00 0.00 178.15 178.00 3cx5 h LEU 277 N 0.58 0.66 -0.56 1.44 3.38 -1.26 -0.78 115.31 118.77 3cx5 h LEU 277 Ca 0.16 -0.23 -0.07 0.00 0.09 0.00 0.00 57.88 57.83 3cx5 h LEU 277 Cb 0.04 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 3cx5 h LEU 277 CO -0.03 0.88 0.08 0.28 0.09 0.00 0.00 178.44 179.75 3cx5 h SER 278 N 0.57 0.89 -0.38 -0.43 0.02 -0.74 -0.05 113.55 113.42 3cx5 h SER 278 Ca 0.08 -0.26 -0.04 0.00 -0.84 0.00 0.00 61.79 60.72 3cx5 h SER 278 Cb 0.71 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.00 3cx5 h SER 278 CO 0.05 0.93 0.07 0.28 -1.14 0.00 0.00 176.83 177.02 3cx5 h SER 279 N 0.82 0.60 -0.74 3.07 0.02 -1.16 -1.97 113.55 114.19 3cx5 h SER 279 Ca 0.17 -0.25 0.01 0.00 -0.84 0.00 0.00 61.79 60.88 3cx5 h SER 279 Cb 0.42 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 62.76 3cx5 h SER 279 CO 0.01 0.70 0.48 -0.07 -1.14 0.00 0.00 176.83 176.82 3cx5 h LEU 280 N 0.48 0.83 -0.08 5.07 4.07 -0.93 0.51 115.31 125.26 3cx5 h LEU 280 Ca 0.12 -0.02 -0.00 0.00 0.08 0.00 0.00 57.88 58.06 3cx5 h LEU 280 Cb 0.35 -0.20 -0.00 0.00 1.08 0.00 0.00 40.66 41.89 3cx5 h LEU 280 CO 0.01 0.60 0.05 0.22 -1.08 0.00 0.00 178.44 178.23 3cx5 h TYR 281 N 0.98 0.10 -0.63 1.13 3.20 -0.81 0.08 116.97 121.02 3cx5 h TYR 281 Ca 0.28 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 62.07 3cx5 h TYR 281 Cb -0.09 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.12 3cx5 h TYR 281 CO -0.02 0.12 0.10 -0.07 -1.64 0.00 0.00 178.16 176.64 3cx5 h LEU 282 N 0.06 1.00 -0.48 2.82 3.38 -1.06 -2.41 115.31 118.61 3cx5 h LEU 282 Ca 0.03 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 3cx5 h LEU 282 Cb 0.05 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 3cx5 h LEU 282 CO -0.01 1.00 0.25 -0.07 0.09 0.00 0.00 178.44 179.71 3cx5 h LEU 283 N 0.95 0.61 -1.44 1.67 4.07 -0.79 -2.64 115.31 117.73 3cx5 h LEU 283 Ca 0.19 -0.10 -0.03 0.00 0.08 0.00 0.00 57.88 58.02 3cx5 h LEU 283 Cb 0.43 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 42.00 3cx5 h LEU 283 CO 0.01 0.54 0.03 0.77 -1.08 0.00 0.00 178.44 178.71 3cx5 h SER 284 N 0.63 0.36 -0.17 -0.43 4.64 -0.72 -0.42 113.55 117.43 3cx5 h SER 284 Ca 0.17 -0.05 -0.03 0.00 -0.47 0.00 0.00 61.79 61.41 3cx5 h SER 284 Cb 0.07 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.07 3cx5 h SER 284 CO -0.02 0.40 -0.02 0.40 -0.87 0.00 0.00 176.83 176.72 3cx5 h ILE 285 N 0.39 1.27 -0.26 0.95 2.04 -1.16 0.22 117.51 120.96 3cx5 h ILE 285 Ca 0.09 -0.91 -0.01 0.00 1.00 0.00 0.00 64.86 65.03 3cx5 h ILE 285 Cb 0.21 1.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.81 3cx5 h ILE 285 CO 0.00 0.27 0.14 -0.25 0.00 0.00 0.00 178.15 178.31 3cx5 h TRP 286 N 0.04 0.36 -0.77 1.37 7.01 -1.10 -0.53 115.95 122.33 3cx5 h TRP 286 Ca 0.05 -0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.04 3cx5 h TRP 286 Cb 0.42 -0.11 -0.04 0.00 -2.10 0.00 0.00 29.16 27.33 3cx5 h TRP 286 CO 0.04 0.31 0.51 0.28 -2.79 0.00 0.00 178.44 176.79 3cx5 h VAL 287 N 0.30 1.20 -0.32 2.65 2.07 -1.03 -1.96 116.25 119.16 3cx5 h VAL 287 Ca 0.09 -0.36 -0.00 0.00 0.82 0.00 0.00 66.70 67.25 3cx5 h VAL 287 Cb 0.07 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 29.90 3cx5 h VAL 287 CO -0.01 0.19 0.18 0.50 0.02 0.00 0.00 177.57 178.45 3cx5 h LYS 288 N 1.04 0.44 -1.01 1.57 3.11 -0.53 -1.94 116.57 119.25 3cx5 h LYS 288 Ca 0.28 -0.05 0.01 0.00 -2.81 0.00 0.00 60.65 58.09 3cx5 h LYS 288 Cb -0.12 -0.09 -0.05 0.00 -1.00 0.00 0.00 32.23 30.97 3cx5 h LYS 288 CO -0.06 0.36 0.67 0.87 -2.81 0.00 0.00 179.45 178.48 3cx5 h LYS 289 N 0.41 1.31 -0.03 1.90 1.57 -0.74 -1.56 116.57 119.43 3cx5 h LYS 289 Ca 0.11 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3cx5 h LYS 289 Cb 0.04 -0.30 -0.00 0.00 0.08 0.00 0.00 32.23 32.05 3cx5 h LYS 289 CO -0.02 0.87 0.01 0.35 -0.57 0.00 0.00 179.45 180.09 3cx5 h PHE 290 N 1.35 0.04 0.00 -1.35 3.04 -1.08 -0.65 116.94 118.29 3cx5 h PHE 290 Ca 0.37 -0.00 -0.02 0.00 3.98 0.00 0.00 57.97 62.30 3cx5 h PHE 290 Cb -0.14 -0.01 -0.00 0.00 2.56 0.00 0.00 35.95 38.36 3cx5 h PHE 290 CO -0.00 0.20 -0.08 0.87 -2.02 0.00 0.00 178.31 177.28 3cx5 h LYS 291 N -0.13 0.00 -0.00 1.11 1.57 -1.04 -2.55 116.57 115.53 3cx5 h LYS 291 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3cx5 h LYS 291 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.49 3cx5 h LYS 291 CO -0.00 0.08 -0.63 0.91 -0.57 0.00 0.00 179.45 179.24 3cx5 n TRP 292 N -3.87 0.00 -0.24 -1.35 7.02 -0.62 -4.51 117.44 113.88 3cx5 n TRP 292 Ca -0.02 0.00 0.17 0.00 -1.02 0.00 0.00 57.50 56.62 3cx5 n TRP 292 Cb 0.17 -0.09 0.47 0.00 -2.42 0.00 0.00 31.31 29.45 3cx5 n TRP 292 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3cx5 h ALA 293 N 3.30 2.08 -0.37 6.99 0.00 -0.67 -0.03 119.26 130.56 3cx5 h ALA 293 Ca 0.00 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 3cx5 h ALA 293 Cb 0.55 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3cx5 h ALA 293 CO 0.00 -0.35 -0.24 0.78 0.00 0.00 0.00 179.25 179.45 3cx5 h GLY 294 N 0.49 0.88 0.99 0.00 0.00 -1.79 -2.95 103.07 100.68 3cx5 h GLY 294 Ca 0.45 -0.83 -0.17 0.00 0.00 0.00 0.00 47.33 46.79 3cx5 h GLY 294 CO -0.18 0.75 -0.56 -2.22 0.00 0.00 0.00 176.54 174.32 3cx5 h ILE 295 N 0.60 1.33 -0.49 2.60 1.08 -1.59 -3.11 117.51 117.92 3cx5 h ILE 295 Ca 0.07 -1.82 -0.02 0.00 -0.39 0.00 0.00 64.86 62.71 3cx5 h ILE 295 Cb 0.80 2.03 -0.02 0.00 -3.07 0.00 0.00 36.82 36.56 3cx5 h ILE 295 CO 0.07 0.56 0.24 0.11 -0.69 0.00 0.00 178.15 178.43 3cx5 h LYS 296 N 0.31 0.69 -0.66 2.37 1.79 -1.09 -2.79 116.57 117.19 3cx5 h LYS 296 Ca -0.03 -0.08 0.00 0.00 -2.18 0.00 0.00 60.65 58.36 3cx5 h LYS 296 Cb 1.19 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 31.71 3cx5 h LYS 296 CO 0.12 0.54 0.00 0.25 -1.08 0.00 0.00 179.45 179.28 3cx5 n THR 297 N -4.38 0.88 -1.72 -0.16 -2.24 -1.12 -4.99 114.28 100.55 3cx5 n THR 297 Ca 0.04 -0.94 -0.42 0.00 -2.27 0.00 0.00 64.05 60.46 3cx5 n THR 297 Cb 0.12 0.62 -0.01 0.00 -2.10 0.00 0.00 70.33 68.96 3cx5 n THR 297 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3cx5 n ARG 298 N 1.62 2.36 -5.04 -0.78 0.63 -1.05 -5.02 116.66 109.38 3cx5 n ARG 298 Ca 0.23 0.83 -0.28 0.00 -0.92 0.00 0.00 57.85 57.71 3cx5 n ARG 298 Cb 0.62 -2.49 -0.16 0.00 0.45 0.00 0.00 32.46 30.88 3cx5 n ARG 298 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 3cx5 s LYS 299 N -1.59 1.97 0.06 -0.14 1.02 -1.26 -5.09 119.74 114.71 3cx5 s LYS 299 Ca 0.57 -0.75 0.08 0.00 0.02 0.00 0.00 55.97 55.90 3cx5 s LYS 299 Cb -0.54 -1.77 -0.03 0.00 -0.52 0.00 0.00 37.83 34.97 3cx5 s LYS 299 CO 0.59 0.36 -0.22 -0.06 -0.92 0.00 0.00 175.35 175.11 3cx5 s PHE 300 N -0.22 2.44 0.00 3.18 0.40 -1.26 -5.14 117.98 117.39 3cx5 s PHE 300 Ca 0.01 -0.33 0.02 0.00 -0.60 0.00 0.00 56.93 56.03 3cx5 s PHE 300 Cb -0.11 -1.41 -0.01 0.00 0.51 0.00 0.00 43.02 42.01 3cx5 s PHE 300 CO 0.01 0.23 -0.06 0.14 0.70 0.00 0.00 175.22 176.24 3cx5 s VAL 301 N -0.91 0.48 -0.13 -0.44 -7.23 -1.26 -5.15 120.40 105.76 3cx5 s VAL 301 Ca 0.14 -0.35 0.02 0.00 -1.81 0.00 0.00 61.98 59.98 3cx5 s VAL 301 Cb -0.10 -0.42 -0.00 0.00 0.56 0.00 0.00 36.38 36.42 3cx5 s VAL 301 CO 0.05 0.07 -0.19 0.12 -0.31 0.00 0.00 175.10 174.83 3cx5 s PHE 302 N -0.28 2.68 -0.31 2.82 5.36 -1.26 -5.08 117.98 121.92 3cx5 s PHE 302 Ca 0.01 -1.02 0.01 0.00 -0.96 0.00 0.00 56.93 54.97 3cx5 s PHE 302 Cb -0.03 -1.80 0.09 0.00 -0.34 0.00 0.00 43.02 40.95 3cx5 s PHE 302 CO -0.00 -0.43 0.06 -0.80 -1.46 0.00 0.00 175.22 172.59 3cx5 s ASN 303 N 0.54 4.32 -0.35 6.13 0.01 -1.26 -5.09 114.94 119.24 3cx5 s ASN 303 Ca -0.12 -1.79 -0.40 0.00 -0.71 0.00 0.00 52.86 49.84 3cx5 s ASN 303 Cb -0.16 -1.23 -0.15 0.00 0.41 0.00 0.00 41.25 40.11 3cx5 s ASN 303 CO 0.04 -0.38 1.90 -2.65 -1.51 0.00 0.00 177.10 174.51 3cx5 n PRO 304 N 4.57 0.87 -1.35 -0.60 -0.02 -1.26 -4.89 135.00 132.32 3cx5 n PRO 304 Ca -0.01 0.29 -0.36 0.00 -2.02 0.00 0.00 63.50 61.41 3cx5 n PRO 304 Cb 0.42 -2.06 0.09 0.00 -0.02 0.00 0.00 33.50 31.94 3cx5 n PRO 304 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3cx5 n PRO 305 N 6.28 0.49 -2.27 0.52 -0.02 -1.26 -4.94 135.00 133.80 3cx5 n PRO 305 Ca 0.35 0.23 -0.42 0.00 -2.02 0.00 0.00 63.50 61.64 3cx5 n PRO 305 Cb 0.11 -2.23 -0.03 0.00 -0.02 0.00 0.00 33.50 31.33 3cx5 n PRO 305 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3cx5 s LYS 306 N -3.36 4.40 -0.72 -0.52 1.02 -1.26 -4.91 119.74 114.39 3cx5 s LYS 306 Ca 0.73 1.98 -0.26 0.00 0.02 0.00 0.00 55.97 58.45 3cx5 s LYS 306 Cb -0.34 -3.24 -0.10 0.00 -0.52 0.00 0.00 37.83 33.63 3cx5 s LYS 306 CO 0.50 -0.26 2.31 -2.14 -0.92 0.00 0.00 175.35 174.85 3cx5 s PRO 307 N 0.26 1.92 -0.30 -1.68 0.02 -1.26 -4.81 135.00 129.15 3cx5 s PRO 307 Ca 0.58 0.61 -0.13 0.00 0.02 0.00 0.00 61.00 62.08 3cx5 s PRO 307 Cb -0.35 -4.75 0.18 0.00 0.02 0.00 0.00 34.50 29.60 3cx5 s PRO 307 CO 0.35 -3.91 1.07 1.03 -0.33 0.00 0.00 177.00 175.21 3cx5 s ARG 308 N 8.36 0.15 0.00 5.54 0.52 -1.26 -5.36 118.95 126.90 3cx5 s ARG 308 Ca 0.89 0.22 0.00 0.00 -0.52 0.00 0.00 55.73 56.32 3cx5 s ARG 308 Cb -0.13 0.12 0.00 0.00 0.52 0.00 0.00 34.95 35.46 3cx5 s ARG 308 CO 0.12 -0.22 0.00 1.17 0.02 0.00 0.00 175.30 176.39