#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 2.93 0.15 1.12 -4.23 -1.26 -4.87 115.64 109.47 3cx5 s THR 63 Ca 0.00 0.30 -0.16 0.00 -1.18 0.00 0.00 61.69 60.65 3cx5 s THR 63 Cb 0.00 -2.85 0.02 0.00 1.34 0.00 0.00 72.50 71.01 3cx5 s THR 63 CO 0.00 -0.39 1.79 0.00 -0.54 0.00 0.00 174.62 175.48 3cx5 h ALA 64 N -1.34 0.53 -0.21 3.99 0.00 -1.99 -2.30 119.26 117.93 3cx5 h ALA 64 Ca -0.48 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.43 3cx5 h ALA 64 Cb 1.27 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 3cx5 h ALA 64 CO 0.55 0.01 -0.05 0.00 0.00 0.00 0.00 179.25 179.76 3cx5 h ALA 65 N 1.13 0.14 -0.82 0.00 0.00 -1.92 0.35 119.26 118.14 3cx5 h ALA 65 Ca 0.15 0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.17 3cx5 h ALA 65 Cb -0.02 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 3cx5 h ALA 65 CO -0.03 -0.47 0.53 0.93 0.00 0.00 0.00 179.25 180.21 3cx5 h GLU 66 N 0.01 1.02 -0.11 0.00 5.08 -1.85 -0.59 114.58 118.13 3cx5 h GLU 66 Ca 0.10 -0.06 -0.20 0.00 -1.00 0.00 0.00 59.36 58.20 3cx5 h GLU 66 Cb 0.15 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.18 3cx5 h GLU 66 CO -0.22 0.67 -0.75 1.25 -1.00 0.00 0.00 179.01 178.97 3cx5 h HIS 67 N 1.05 0.77 0.00 4.33 2.76 -0.99 -2.90 115.15 120.16 3cx5 h HIS 67 Ca 0.32 -0.34 0.00 0.00 -2.20 0.00 0.00 60.37 58.15 3cx5 h HIS 67 Cb -0.03 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 28.82 3cx5 h HIS 67 CO -0.02 1.13 0.00 0.41 -1.30 0.00 0.00 177.93 178.14 3cx5 n GLY 68 N 0.61 1.17 3.74 5.26 0.00 0.08 -4.34 105.19 111.71 3cx5 n GLY 68 Ca -0.06 -1.59 -0.41 0.00 0.00 0.00 0.00 46.02 43.96 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 -0.51 4.38 0.22 0.99 0.20 0.76 -4.93 118.68 119.79 3cx5 s LEU 69 Ca 0.00 2.72 -0.31 0.00 0.69 0.00 0.00 54.13 57.22 3cx5 s LEU 69 Cb 0.00 -3.62 -0.11 0.00 -0.43 0.00 0.00 46.19 42.02 3cx5 s LEU 69 CO 0.00 -0.75 1.63 -2.28 -0.29 0.00 0.00 176.35 174.66 3cx5 s HIS 70 N 0.07 2.91 -0.11 5.38 5.65 -1.26 -4.52 115.29 123.41 3cx5 s HIS 70 Ca 0.61 0.58 -0.27 0.00 0.25 0.00 0.00 55.06 56.23 3cx5 s HIS 70 Cb -0.43 -4.04 -0.02 0.00 -1.18 0.00 0.00 32.58 26.91 3cx5 s HIS 70 CO 0.43 -3.78 0.91 0.00 -0.65 0.00 0.00 174.74 171.65 3cx5 s ALA 71 N 0.75 3.41 0.88 1.58 0.00 -1.26 -5.04 121.76 122.09 3cx5 s ALA 71 Ca 0.69 0.24 -0.11 0.00 0.00 0.00 0.00 51.96 52.78 3cx5 s ALA 71 Cb -0.47 -3.30 0.12 0.00 0.00 0.00 0.00 23.12 19.47 3cx5 s ALA 71 CO 0.37 -0.52 1.09 -1.25 0.00 0.00 0.00 175.76 175.45 3cx5 s PRO 72 N 1.81 1.36 -0.53 0.00 0.04 -1.26 -4.88 135.00 131.54 3cx5 s PRO 72 Ca 0.44 0.84 -0.21 0.00 0.04 0.00 0.00 61.00 62.12 3cx5 s PRO 72 Cb -0.18 -1.82 0.06 0.00 0.04 0.00 0.00 34.50 32.60 3cx5 s PRO 72 CO 0.17 -2.18 0.73 0.00 0.04 0.00 0.00 177.00 175.76 3cx5 s ALA 73 N -2.94 3.31 0.45 8.56 0.00 -1.26 -4.81 121.76 125.08 3cx5 s ALA 73 Ca 0.63 -1.63 -0.10 0.00 0.00 0.00 0.00 51.96 50.86 3cx5 s ALA 73 Cb -0.18 -3.49 -0.06 0.00 0.00 0.00 0.00 23.12 19.39 3cx5 s ALA 73 CO 0.57 -2.17 0.81 0.71 0.00 0.00 0.00 175.76 175.68 3cx5 s TYR 74 N 3.07 3.50 -1.44 0.00 2.02 -1.26 -4.98 117.35 118.26 3cx5 s TYR 74 Ca 0.19 1.03 -0.10 0.00 -0.37 0.00 0.00 57.07 57.82 3cx5 s TYR 74 Cb -0.18 -2.45 0.05 0.00 -0.40 0.00 0.00 41.96 38.98 3cx5 s TYR 74 CO 0.13 -0.21 2.36 0.00 -1.57 0.00 0.00 175.55 176.27 3cx5 n ALA 75 N -1.66 6.25 -1.72 3.71 0.00 -1.26 -4.98 120.51 120.85 3cx5 n ALA 75 Ca 0.02 -3.93 -0.43 0.00 0.00 0.00 0.00 53.44 49.11 3cx5 n ALA 75 Cb 0.54 -3.24 -0.02 0.00 0.00 0.00 0.00 19.45 16.73 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 4.19 2.63 0.56 0.00 7.02 -1.26 -4.85 117.44 125.72 3cx5 n TRP 76 Ca 0.58 0.30 0.07 0.00 -1.02 0.00 0.00 57.50 57.43 3cx5 n TRP 76 Cb 0.32 -2.56 0.33 0.00 -2.42 0.00 0.00 31.31 26.98 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 2.24 0.00 -0.91 -0.99 3.41 -1.26 -1.73 113.62 114.37 3cx5 n SER 77 Ca 0.10 0.38 0.12 0.00 -0.26 0.00 0.00 58.87 59.21 3cx5 n SER 77 Cb 0.35 -0.44 0.16 0.00 -0.26 0.00 0.00 64.21 64.02 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 -1.44 0.04 -2.52 7.33 -0.00 -1.26 -4.53 115.22 112.84 3cx5 n HIS 78 Ca 0.05 -0.02 -0.40 0.00 -0.00 0.00 0.00 57.72 57.34 3cx5 n HIS 78 Cb 0.16 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 30.10 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 -1.96 7.33 0.00 4.39 0.02 -0.71 -4.72 114.94 119.29 3cx5 s ASN 79 Ca 0.30 2.20 0.00 0.00 -1.02 0.00 0.00 52.86 54.33 3cx5 s ASN 79 Cb 0.20 -2.62 0.00 0.00 0.02 0.00 0.00 41.25 38.85 3cx5 s ASN 79 CO 0.31 -0.11 0.00 0.61 0.02 0.00 0.00 177.10 177.93 3cx5 n GLY 80 N 1.37 2.83 0.39 0.66 0.00 -1.26 -4.66 105.19 104.52 3cx5 n GLY 80 Ca -0.01 -1.54 0.17 0.00 0.00 0.00 0.00 46.02 44.65 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 0.31 -0.32 1.61 0.13 -2.00 -2.45 132.00 129.29 3cx5 h PRO 81 Ca 0.00 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 3cx5 h PRO 81 Cb 0.00 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.06 3cx5 h PRO 81 CO 0.00 0.21 0.00 1.19 -0.23 0.00 0.00 178.00 179.17 3cx5 n PHE 82 N -4.45 0.40 -3.54 1.56 0.99 -1.26 -4.86 117.46 106.29 3cx5 n PHE 82 Ca 0.14 -0.20 -0.36 0.00 -0.00 0.00 0.00 57.45 57.03 3cx5 n PHE 82 Cb 0.58 0.00 -0.07 0.00 -1.00 0.00 0.00 39.48 38.99 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 -1.60 4.23 0.68 -1.08 0.41 -0.92 -5.07 118.70 115.35 3cx5 s GLU 83 Ca 0.37 0.10 -0.01 0.00 -0.41 0.00 0.00 54.97 55.01 3cx5 s GLU 83 Cb 0.22 -3.41 0.09 0.00 -1.78 0.00 0.00 34.13 29.25 3cx5 s GLU 83 CO 0.31 0.26 0.94 0.95 -0.49 0.00 0.00 175.26 177.23 3cx5 s THR 84 N 0.39 2.31 0.69 3.63 -4.23 -1.26 -4.78 115.64 112.40 3cx5 s THR 84 Ca 0.17 -0.56 -0.11 0.00 -1.18 0.00 0.00 61.69 60.01 3cx5 s THR 84 Cb -0.13 -2.75 0.01 0.00 1.34 0.00 0.00 72.50 70.97 3cx5 s THR 84 CO 0.04 0.00 1.06 -0.36 -0.54 0.00 0.00 174.62 174.83 3cx5 s PHE 85 N -3.07 3.01 -0.51 3.99 2.99 -1.26 -4.00 117.98 119.14 3cx5 s PHE 85 Ca 0.63 1.45 -0.20 0.00 0.00 0.00 0.00 56.93 58.81 3cx5 s PHE 85 Cb -0.07 -2.93 0.05 0.00 0.00 0.00 0.00 43.02 40.07 3cx5 s PHE 85 CO 0.43 -1.31 0.69 0.34 -0.00 0.00 0.00 175.22 175.37 3cx5 s ASP 86 N -3.59 6.25 0.55 1.36 3.68 -1.26 -4.94 116.67 118.73 3cx5 s ASP 86 Ca 0.59 -0.76 0.36 0.00 2.13 0.00 0.00 52.55 54.87 3cx5 s ASP 86 Cb -0.15 -2.32 1.68 0.00 -1.45 0.00 0.00 42.92 40.68 3cx5 s ASP 86 CO 0.53 -0.95 2.07 0.45 0.13 0.00 0.00 175.17 177.40 3cx5 h HIS 87 N 9.05 0.00 -0.03 -5.34 3.86 -1.94 -1.82 115.15 118.93 3cx5 h HIS 87 Ca -0.27 0.00 -0.21 0.00 -1.16 0.00 0.00 60.37 58.73 3cx5 h HIS 87 Cb 1.09 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.56 3cx5 h HIS 87 CO 0.78 0.00 -0.88 0.00 0.86 0.00 0.00 177.93 178.69 3cx5 h ALA 88 N 2.03 0.43 -0.28 2.45 0.00 -1.92 -1.79 119.26 120.17 3cx5 h ALA 88 Ca 0.00 -0.68 -0.15 0.00 0.00 0.00 0.00 54.91 54.08 3cx5 h ALA 88 Cb 0.30 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3cx5 h ALA 88 CO 0.00 0.80 -0.45 1.03 0.00 0.00 0.00 179.25 180.63 3cx5 h SER 89 N 0.25 0.78 -0.17 0.00 0.87 -1.74 -1.50 113.55 112.04 3cx5 h SER 89 Ca -0.06 -0.37 -0.01 0.00 -1.23 0.00 0.00 61.79 60.11 3cx5 h SER 89 Cb 1.50 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 63.23 3cx5 h SER 89 CO 0.15 1.11 0.07 0.40 -0.53 0.00 0.00 176.83 178.03 3cx5 h ILE 90 N 0.58 1.16 -0.18 2.23 2.04 -1.32 0.49 117.51 122.50 3cx5 h ILE 90 Ca 0.04 -0.48 0.04 0.00 1.00 0.00 0.00 64.86 65.46 3cx5 h ILE 90 Cb 1.00 1.15 -0.04 0.00 -0.74 0.00 0.00 36.82 38.20 3cx5 h ILE 90 CO 0.09 0.15 -0.05 -0.09 0.00 0.00 0.00 178.15 178.25 3cx5 h ARG 91 N 0.13 -0.02 -0.62 2.37 2.43 -1.20 -0.59 114.38 116.88 3cx5 h ARG 91 Ca 0.06 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.20 3cx5 h ARG 91 Cb 0.17 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.70 3cx5 h ARG 91 CO -0.00 -0.01 0.28 0.00 -1.51 0.00 0.00 179.97 178.72 3cx5 h ARG 92 N -0.02 0.88 -0.17 0.20 3.08 -1.18 -2.30 114.38 114.86 3cx5 h ARG 92 Ca 0.09 -0.12 -0.07 0.00 0.07 0.00 0.00 59.98 59.95 3cx5 h ARG 92 Cb 0.15 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 3cx5 h ARG 92 CO -0.19 0.69 -0.19 0.78 -1.07 0.00 0.00 179.97 179.99 3cx5 h GLY 93 N 0.97 0.32 0.99 0.04 0.00 -0.06 -2.45 103.07 102.87 3cx5 h GLY 93 Ca 0.21 -0.22 -0.03 0.00 0.00 0.00 0.00 47.33 47.29 3cx5 h GLY 93 CO -0.03 0.20 0.21 -1.82 0.00 0.00 0.00 176.54 175.11 3cx5 h TYR 94 N 0.27 0.86 -0.75 5.60 3.20 -0.55 -0.99 116.97 124.60 3cx5 h TYR 94 Ca 0.05 -0.07 0.02 0.00 3.14 0.00 0.00 58.73 61.87 3cx5 h TYR 94 Cb 0.50 -0.26 -0.04 0.00 1.54 0.00 0.00 36.73 38.47 3cx5 h TYR 94 CO 0.01 0.70 0.49 0.37 -1.64 0.00 0.00 178.16 178.09 3cx5 h GLN 95 N 0.77 0.95 -0.59 1.82 4.15 -1.34 0.98 115.11 121.85 3cx5 h GLN 95 Ca 0.19 -0.06 -0.04 0.00 0.77 0.00 0.00 58.65 59.51 3cx5 h GLN 95 Cb 0.22 -0.21 -0.03 0.00 0.21 0.00 0.00 27.48 27.67 3cx5 h GLN 95 CO -0.01 0.63 0.22 0.28 -1.93 0.00 0.00 178.83 178.02 3cx5 h VAL 96 N 0.98 1.23 0.14 2.39 2.07 -1.19 -0.62 116.25 121.24 3cx5 h VAL 96 Ca 0.29 -0.73 -0.00 0.00 0.82 0.00 0.00 66.70 67.07 3cx5 h VAL 96 Cb -0.06 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 3cx5 h VAL 96 CO -0.08 0.28 -0.10 0.22 0.02 0.00 0.00 177.57 177.91 3cx5 h TYR 97 N 0.82 -0.27 -0.06 1.57 3.20 -0.24 -0.35 116.97 121.63 3cx5 h TYR 97 Ca 0.19 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.08 3cx5 h TYR 97 Cb 0.22 0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.57 3cx5 h TYR 97 CO 0.01 -0.16 -0.04 -0.09 -1.64 0.00 0.00 178.16 176.23 3cx5 h ARG 98 N -0.25 -0.05 0.00 1.82 9.65 -0.64 0.47 114.38 125.38 3cx5 h ARG 98 Ca -0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 3cx5 h ARG 98 Cb 0.22 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.81 3cx5 h ARG 98 CO -0.01 -0.03 0.00 0.93 2.80 0.00 0.00 179.97 183.66 3cx5 h GLU 99 N -0.05 0.00 0.00 0.20 5.08 -1.10 -3.39 114.58 115.33 3cx5 h GLU 99 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3cx5 h GLU 99 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 3cx5 h GLU 99 CO -0.09 0.00 0.00 0.28 -1.00 0.00 0.00 179.01 178.20 3cx5 n VAL 100 N -3.00 1.01 -0.16 3.13 0.31 -0.15 -4.91 118.33 114.56 3cx5 n VAL 100 Ca 0.04 0.34 -0.11 0.00 -0.01 0.00 0.00 64.34 64.59 3cx5 n VAL 100 Cb 0.51 -1.39 -0.00 0.00 -0.91 0.00 0.00 33.84 32.04 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 0.87 1.38 0.00 0.00 0.00 -0.26 0.55 119.26 121.80 3cx5 h ALA 102 Ca 0.11 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3cx5 h ALA 102 Cb 0.74 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 3cx5 h ALA 102 CO 0.06 -0.34 -0.13 0.00 0.00 0.00 0.00 179.25 178.83 3cx5 h ALA 103 N 1.37 1.16 0.00 0.00 0.00 -1.83 -3.32 119.26 116.63 3cx5 h ALA 103 Ca 0.01 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3cx5 h ALA 103 Cb 0.67 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3cx5 h ALA 103 CO -0.00 0.16 -0.38 0.00 0.00 0.00 0.00 179.25 179.03 3cx5 s HIS 105 N -0.87 2.79 0.54 0.00 3.76 0.08 -4.64 115.29 116.95 3cx5 s HIS 105 Ca 0.00 -0.70 -0.05 0.00 -0.15 0.00 0.00 55.06 54.16 3cx5 s HIS 105 Cb 0.00 -1.84 -0.01 0.00 1.11 0.00 0.00 32.58 31.84 3cx5 s HIS 105 CO 0.00 -0.24 0.85 -1.54 -0.85 0.00 0.00 174.74 172.95 3cx5 s SER 106 N 0.38 5.86 -0.35 1.40 1.04 -1.26 -4.23 113.70 116.54 3cx5 s SER 106 Ca -0.11 0.77 0.15 0.00 0.48 0.00 0.00 55.95 57.24 3cx5 s SER 106 Cb -0.16 -1.90 0.41 0.00 0.10 0.00 0.00 66.02 64.47 3cx5 s SER 106 CO 0.06 -0.86 0.85 -0.11 0.98 0.00 0.00 173.24 174.16 3cx5 n LEU 107 N -2.43 1.27 -0.02 2.42 7.94 -1.26 -1.65 117.00 123.26 3cx5 n LEU 107 Ca 0.03 -4.35 0.17 0.00 -1.11 0.00 0.00 56.01 50.75 3cx5 n LEU 107 Cb 0.57 0.53 0.62 0.00 0.53 0.00 0.00 43.42 45.66 3cx5 n LEU 107 CO 0.53 1.91 1.18 0.44 -1.11 0.00 0.00 177.39 180.34 3cx5 h ASP 108 N 2.99 0.14 -0.20 1.96 3.45 -1.94 -2.78 116.42 120.04 3cx5 h ASP 108 Ca -0.00 0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3cx5 h ASP 108 Cb 1.07 -0.02 0.00 0.00 -0.56 0.00 0.00 39.33 39.82 3cx5 h ASP 108 CO 0.51 0.08 0.00 0.54 -1.57 0.00 0.00 179.24 178.80 3cx5 n ARG 109 N -4.43 1.84 -3.71 3.56 1.74 -1.26 -4.76 116.66 109.64 3cx5 n ARG 109 Ca 0.09 -1.26 -0.37 0.00 -0.77 0.00 0.00 57.85 55.54 3cx5 n ARG 109 Cb 0.50 -1.41 -0.12 0.00 -1.02 0.00 0.00 32.46 30.41 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 -1.75 4.42 0.10 1.55 1.01 -1.05 -5.06 120.40 119.61 3cx5 s VAL 110 Ca 0.33 -0.33 -0.21 0.00 0.00 0.00 0.00 61.98 61.76 3cx5 s VAL 110 Cb 0.18 -3.17 -0.07 0.00 0.00 0.00 0.00 36.38 33.32 3cx5 s VAL 110 CO 0.27 0.19 0.63 0.00 0.00 0.00 0.00 175.10 176.19 3cx5 s ALA 111 N 1.60 3.54 0.25 5.51 0.00 -1.26 -1.32 121.76 130.09 3cx5 s ALA 111 Ca 0.05 0.14 -0.05 0.00 0.00 0.00 0.00 51.96 52.09 3cx5 s ALA 111 Cb -0.16 -2.74 0.48 0.00 0.00 0.00 0.00 23.12 20.70 3cx5 s ALA 111 CO 0.05 0.36 1.64 -1.49 0.00 0.00 0.00 175.76 176.32 3cx5 h TRP 112 N 4.51 0.05 -0.22 0.00 4.06 -1.11 -0.70 115.95 122.54 3cx5 h TRP 112 Ca -0.49 0.05 0.06 0.00 2.06 0.00 0.00 58.89 60.58 3cx5 h TRP 112 Cb 1.21 0.10 -0.01 0.00 -1.00 0.00 0.00 29.16 29.46 3cx5 h TRP 112 CO 0.67 -0.21 0.23 0.07 -3.56 0.00 0.00 178.44 175.63 3cx5 h ARG 113 N 0.14 0.00 0.00 0.49 0.11 -1.41 -1.99 114.38 111.72 3cx5 h ARG 113 Ca 0.43 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.51 3cx5 h ARG 113 Cb 0.78 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.86 3cx5 h ARG 113 CO -0.64 0.00 -0.02 1.79 0.10 0.00 0.00 179.97 181.19 3cx5 h THR 114 N 0.00 0.06 0.00 0.08 1.35 -1.42 -2.57 112.91 110.41 3cx5 h THR 114 Ca 0.10 -0.62 -0.05 0.00 -0.55 0.00 0.00 66.41 65.29 3cx5 h THR 114 Cb 0.56 1.59 -0.01 0.00 -1.73 0.00 0.00 68.15 68.56 3cx5 h THR 114 CO -0.00 0.02 -0.22 -0.07 -0.25 0.00 0.00 175.52 175.00 3cx5 h LEU 115 N 0.00 0.00 -9.38 3.87 4.07 -1.49 -3.42 115.31 108.96 3cx5 h LEU 115 Ca -0.00 0.00 -0.54 0.00 0.08 0.00 0.00 57.88 57.42 3cx5 h LEU 115 Cb 0.58 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.33 3cx5 h LEU 115 CO 0.00 0.22 1.02 -0.69 -1.08 0.00 0.00 178.44 177.92 3cx5 s VAL 116 N -3.49 3.27 0.00 1.22 1.01 -0.97 -1.96 120.40 119.49 3cx5 s VAL 116 Ca 0.02 0.59 0.00 0.00 0.00 0.00 0.00 61.98 62.58 3cx5 s VAL 116 Cb 0.09 -3.38 0.00 0.00 0.00 0.00 0.00 36.38 33.09 3cx5 s VAL 116 CO 0.65 -0.02 0.00 0.61 0.00 0.00 0.00 175.10 176.34 3cx5 n GLY 117 N 4.03 0.78 0.76 4.51 0.00 -0.68 -4.84 105.19 109.75 3cx5 n GLY 117 Ca 0.16 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.35 0.65 0.00 1.61 0.31 -0.84 -4.94 118.33 112.77 3cx5 n VAL 118 Ca 0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3cx5 n VAL 118 Cb 0.00 -1.66 0.00 0.00 -0.91 0.00 0.00 33.84 31.27 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 -3.46 0.19 -3.94 4.52 3.41 -0.83 -4.83 113.62 108.69 3cx5 n SER 119 Ca -0.13 -0.10 -0.09 0.00 -0.26 0.00 0.00 58.87 58.29 3cx5 n SER 119 Cb 0.50 0.24 -0.07 0.00 -0.26 0.00 0.00 64.21 64.62 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 -0.27 0.35 0.68 7.33 3.76 -1.13 -4.70 115.29 121.31 3cx5 s HIS 120 Ca 0.00 -0.72 -0.07 0.00 -0.15 0.00 0.00 55.06 54.12 3cx5 s HIS 120 Cb 0.00 -0.04 0.04 0.00 1.11 0.00 0.00 32.58 33.70 3cx5 s HIS 120 CO 0.00 -0.71 1.01 0.95 -0.85 0.00 0.00 174.74 175.14 3cx5 s THR 121 N -3.95 2.74 0.23 1.30 -4.23 -1.26 -1.69 115.64 108.77 3cx5 s THR 121 Ca 0.16 -0.09 -0.08 0.00 -1.18 0.00 0.00 61.69 60.49 3cx5 s THR 121 Cb 0.03 -3.17 0.20 0.00 1.34 0.00 0.00 72.50 70.91 3cx5 s THR 121 CO -0.01 -0.19 1.90 -1.13 -0.54 0.00 0.00 174.62 174.65 3cx5 h ASN 122 N -0.54 1.01 -0.36 3.99 -0.73 -1.95 -2.10 115.58 114.89 3cx5 h ASN 122 Ca -0.45 -0.03 -0.03 0.00 1.87 0.00 0.00 56.30 57.66 3cx5 h ASN 122 Cb 1.30 -0.25 -0.02 0.00 0.27 0.00 0.00 38.32 39.62 3cx5 h ASN 122 CO 0.61 0.74 0.11 -0.33 -0.37 0.00 0.00 177.43 178.19 3cx5 h GLU 123 N 1.19 0.56 -0.73 6.67 3.07 -1.99 -0.94 114.58 122.41 3cx5 h GLU 123 Ca 0.32 -0.12 0.01 0.00 -0.50 0.00 0.00 59.36 59.06 3cx5 h GLU 123 Cb -0.13 -0.08 -0.04 0.00 -0.84 0.00 0.00 28.75 27.66 3cx5 h GLU 123 CO -0.07 0.59 0.49 0.93 -1.40 0.00 0.00 179.01 179.55 3cx5 h GLU 124 N 0.43 0.97 -0.24 2.33 5.08 -1.86 -1.37 114.58 119.92 3cx5 h GLU 124 Ca 0.12 -0.06 -0.17 0.00 -1.00 0.00 0.00 59.36 58.25 3cx5 h GLU 124 Cb 0.27 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 3cx5 h GLU 124 CO -0.00 0.64 -0.54 0.28 -1.00 0.00 0.00 179.01 178.38 3cx5 h VAL 125 N 0.99 1.30 -0.70 3.13 2.07 -1.24 -1.71 116.25 120.09 3cx5 h VAL 125 Ca 0.27 -1.76 0.02 0.00 0.82 0.00 0.00 66.70 66.05 3cx5 h VAL 125 Cb -0.11 1.69 -0.04 0.00 -1.52 0.00 0.00 31.29 31.31 3cx5 h VAL 125 CO -0.06 0.56 0.45 -0.09 0.02 0.00 0.00 177.57 178.45 3cx5 h ARG 126 N 0.54 0.88 -0.27 1.57 2.43 -0.89 0.40 114.38 119.05 3cx5 h ARG 126 Ca 0.01 -0.05 -0.10 0.00 -0.81 0.00 0.00 59.98 59.03 3cx5 h ARG 126 Cb 1.12 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 30.45 3cx5 h ARG 126 CO 0.11 0.58 -0.24 -0.91 -1.51 0.00 0.00 179.97 178.00 3cx5 h ASN 127 N 0.91 0.52 -0.20 -3.80 -0.26 -1.09 -1.72 115.58 109.94 3cx5 h ASN 127 Ca 0.27 -0.18 -0.12 0.00 -0.56 0.00 0.00 56.30 55.71 3cx5 h ASN 127 Cb -0.05 -0.14 -0.00 0.00 -1.06 0.00 0.00 38.32 37.07 3cx5 h ASN 127 CO -0.08 0.76 -0.35 0.24 -1.06 0.00 0.00 177.43 176.94 3cx5 h MET 128 N 0.46 0.59 -0.78 0.81 2.86 -0.76 -3.17 114.93 114.94 3cx5 h MET 128 Ca 0.07 -0.37 -0.04 0.00 -2.06 0.00 0.00 59.70 57.30 3cx5 h MET 128 Cb 0.67 0.04 -0.04 0.00 0.06 0.00 0.00 31.60 32.33 3cx5 h MET 128 CO 0.05 0.98 0.34 0.00 1.06 0.00 0.00 176.91 179.34 3cx5 h ALA 129 N 0.61 1.13 0.00 6.32 0.00 -0.79 -2.67 119.26 123.85 3cx5 h ALA 129 Ca 0.01 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3cx5 h ALA 129 Cb 0.94 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3cx5 h ALA 129 CO 0.08 0.64 0.00 0.93 0.00 0.00 0.00 179.25 180.90 3cx5 h GLU 130 N 1.13 0.00 0.00 0.00 5.08 -1.32 -2.39 114.58 117.08 3cx5 h GLU 130 Ca 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 3cx5 h GLU 130 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 3cx5 h GLU 130 CO -0.03 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 178.37 3cx5 n GLU 131 N -2.40 0.13 -4.33 2.33 1.02 -1.01 -4.37 120.64 112.01 3cx5 n GLU 131 Ca 0.01 0.13 -0.23 0.00 -0.02 0.00 0.00 57.16 57.05 3cx5 n GLU 131 Cb 0.20 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 30.05 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 -2.81 2.62 -0.06 -0.32 0.40 -0.92 -5.03 117.98 111.86 3cx5 s PHE 132 Ca 0.14 -0.24 0.03 0.00 -0.60 0.00 0.00 56.93 56.25 3cx5 s PHE 132 Cb 0.13 -1.16 -0.03 0.00 0.51 0.00 0.00 43.02 42.47 3cx5 s PHE 132 CO 0.34 0.63 -0.12 -1.21 0.70 0.00 0.00 175.22 175.56 3cx5 s GLU 133 N -3.60 2.59 0.11 0.44 2.02 -1.26 -1.55 118.70 117.46 3cx5 s GLU 133 Ca 0.31 -0.64 0.05 0.00 0.02 0.00 0.00 54.97 54.70 3cx5 s GLU 133 Cb -0.06 -2.45 -0.04 0.00 0.10 0.00 0.00 34.13 31.68 3cx5 s GLU 133 CO 0.19 0.63 -0.12 0.71 0.02 0.00 0.00 175.26 176.69 3cx5 s TYR 134 N -0.75 1.23 0.09 1.61 2.02 -0.08 -4.92 117.35 116.55 3cx5 s TYR 134 Ca 0.12 -0.62 -0.31 0.00 -0.37 0.00 0.00 57.07 55.88 3cx5 s TYR 134 Cb -0.11 -0.65 -0.08 0.00 -0.40 0.00 0.00 41.96 40.72 3cx5 s TYR 134 CO 0.01 0.07 1.44 -0.51 -1.57 0.00 0.00 175.55 174.99 3cx5 s ASP 135 N -2.54 6.78 0.58 2.29 -0.00 -1.26 -1.08 116.67 121.44 3cx5 s ASP 135 Ca 0.08 2.33 0.09 0.00 -0.00 0.00 0.00 52.55 55.05 3cx5 s ASP 135 Cb -0.03 -2.58 0.08 0.00 -0.00 0.00 0.00 42.92 40.39 3cx5 s ASP 135 CO 0.01 -0.71 0.75 -0.62 -0.00 0.00 0.00 175.17 174.60 3cx5 s ASP 136 N 1.42 5.02 0.38 0.27 3.68 -0.11 -4.84 116.67 122.49 3cx5 s ASP 136 Ca 0.66 -0.92 -0.25 0.00 2.13 0.00 0.00 52.55 54.17 3cx5 s ASP 136 Cb -0.37 0.36 -0.09 0.00 -1.45 0.00 0.00 42.92 41.37 3cx5 s ASP 136 CO 0.30 -1.34 1.09 -1.61 0.13 0.00 0.00 175.17 173.74 3cx5 s GLU 137 N -4.63 4.21 0.75 4.34 2.02 -1.26 -4.58 118.70 119.55 3cx5 s GLU 137 Ca 0.58 1.65 -0.15 0.00 0.02 0.00 0.00 54.97 57.08 3cx5 s GLU 137 Cb -0.05 -2.69 0.04 0.00 0.10 0.00 0.00 34.13 31.53 3cx5 s GLU 137 CO 0.37 -0.13 1.20 -0.35 0.02 0.00 0.00 175.26 176.36 3cx5 n PRO 138 N 0.18 0.51 -1.27 0.39 -0.04 -1.26 -4.58 135.00 128.93 3cx5 n PRO 138 Ca 0.04 0.24 -0.30 0.00 -0.04 0.00 0.00 63.50 63.44 3cx5 n PRO 138 Cb 0.48 -2.44 0.23 0.00 -0.04 0.00 0.00 33.50 31.73 3cx5 n PRO 138 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 3cx5 s ASP 139 N -1.82 1.35 0.00 3.54 3.84 -0.78 -4.79 116.67 118.01 3cx5 s ASP 139 Ca 0.76 0.53 0.00 0.00 -0.00 0.00 0.00 52.55 53.84 3cx5 s ASP 139 Cb -0.33 -0.71 0.00 0.00 -1.38 0.00 0.00 42.92 40.50 3cx5 s ASP 139 CO 0.47 -3.85 0.87 -0.62 -0.00 0.00 0.00 175.17 172.05 3cx5 n GLU 140 N -4.56 0.00 0.00 2.11 -0.58 -1.26 -0.42 120.64 115.93 3cx5 n GLU 140 Ca 0.14 0.38 0.08 0.00 -0.42 0.00 0.00 57.16 57.34 3cx5 n GLU 140 Cb 0.60 -1.53 0.06 0.00 -0.57 0.00 0.00 31.44 29.99 3cx5 n GLU 140 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 3cx5 n GLN 141 N -1.37 1.22 -0.68 3.49 6.02 -1.26 -4.98 117.38 119.82 3cx5 n GLN 141 Ca 0.00 -1.39 0.00 0.00 -0.01 0.00 0.00 57.00 55.60 3cx5 n GLN 141 Cb 0.03 -1.30 0.00 0.00 1.02 0.00 0.00 30.24 30.00 3cx5 n GLN 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3cx5 n GLY 142 N 0.90 0.77 3.77 1.08 0.00 0.44 -5.05 105.19 107.10 3cx5 n GLY 142 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.60 7.40 0.45 1.61 0.02 -1.26 -4.78 114.94 115.79 3cx5 s ASN 143 Ca 0.00 1.90 -0.23 0.00 -1.02 0.00 0.00 52.86 53.51 3cx5 s ASN 143 Cb 0.00 -2.59 -0.07 0.00 0.02 0.00 0.00 41.25 38.60 3cx5 s ASN 143 CO 0.00 -0.02 1.19 -2.16 0.02 0.00 0.00 177.10 176.13 3cx5 s PRO 144 N -1.78 3.76 0.05 -0.60 0.04 -1.26 -1.87 135.00 133.35 3cx5 s PRO 144 Ca 0.47 1.85 -0.08 0.00 0.04 0.00 0.00 61.00 63.28 3cx5 s PRO 144 Cb -0.22 -2.46 -0.00 0.00 0.04 0.00 0.00 34.50 31.86 3cx5 s PRO 144 CO 0.27 -0.57 0.16 -1.59 0.04 0.00 0.00 177.00 175.31 3cx5 s LYS 145 N -2.63 0.70 0.32 4.56 -2.85 -1.26 -4.87 119.74 113.72 3cx5 s LYS 145 Ca 0.63 -0.78 0.08 0.00 -1.00 0.00 0.00 55.97 54.90 3cx5 s LYS 145 Cb -0.30 0.28 -0.03 0.00 -2.06 0.00 0.00 37.83 35.71 3cx5 s LYS 145 CO 0.37 -0.20 0.21 0.15 0.10 0.00 0.00 175.35 175.98 3cx5 s LYS 146 N -2.99 2.59 0.06 1.78 -0.14 -1.26 -0.93 119.74 118.84 3cx5 s LYS 146 Ca -0.02 -1.37 -0.14 0.00 -1.36 0.00 0.00 55.97 53.08 3cx5 s LYS 146 Cb 0.01 -2.35 0.02 0.00 -1.68 0.00 0.00 37.83 33.83 3cx5 s LYS 146 CO -0.06 0.15 0.32 -0.98 -0.76 0.00 0.00 175.35 174.02 3cx5 s ARG 147 N -3.90 0.87 0.69 1.68 1.70 -0.24 -4.73 118.95 115.02 3cx5 s ARG 147 Ca 0.38 -0.57 -0.13 0.00 -0.47 0.00 0.00 55.73 54.94 3cx5 s ARG 147 Cb -0.05 0.38 0.01 0.00 -0.57 0.00 0.00 34.95 34.72 3cx5 s ARG 147 CO 0.25 -0.29 1.09 -1.25 -1.08 0.00 0.00 175.30 174.01 3cx5 s PRO 148 N -2.90 2.72 0.70 3.89 0.04 -1.26 -0.90 135.00 137.30 3cx5 s PRO 148 Ca -0.03 1.23 -0.13 0.00 0.04 0.00 0.00 61.00 62.11 3cx5 s PRO 148 Cb 0.00 -1.95 0.02 0.00 0.04 0.00 0.00 34.50 32.61 3cx5 s PRO 148 CO -0.05 -1.29 1.11 0.20 0.04 0.00 0.00 177.00 177.00 3cx5 s GLY 149 N -3.03 1.99 0.28 0.56 0.00 -0.60 -4.73 107.32 101.80 3cx5 s GLY 149 Ca 0.63 0.46 0.02 0.00 0.00 0.00 0.00 44.72 45.83 3cx5 s GLY 149 CO 0.47 0.81 0.10 -1.59 0.00 0.00 0.00 173.10 172.89 3cx5 s LYS 150 N -4.38 1.51 0.42 2.90 -2.85 -1.26 -3.56 119.74 112.52 3cx5 s LYS 150 Ca 0.65 -1.83 0.16 0.00 -1.00 0.00 0.00 55.97 53.95 3cx5 s LYS 150 Cb -0.20 -0.36 1.04 0.00 -2.06 0.00 0.00 37.83 36.25 3cx5 s LYS 150 CO 0.47 -0.31 1.89 -0.07 0.10 0.00 0.00 175.35 177.43 3cx5 h LEU 151 N 2.28 0.42 -1.05 2.77 3.38 -1.92 -1.60 115.31 119.60 3cx5 h LEU 151 Ca -0.38 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.62 3cx5 h LEU 151 Cb 1.25 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.95 3cx5 h LEU 151 CO 0.61 0.20 0.00 0.77 0.09 0.00 0.00 178.44 180.11 3cx5 h SER 152 N 0.44 0.00 -4.33 -0.43 4.64 -1.96 -0.98 113.55 110.93 3cx5 h SER 152 Ca 0.41 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 61.23 3cx5 h SER 152 Cb 0.96 0.00 0.09 0.00 -0.31 0.00 0.00 62.40 63.13 3cx5 h SER 152 CO -0.15 0.00 0.38 -1.81 -0.87 0.00 0.00 176.83 174.38 3cx5 s ASP 153 N -5.22 5.57 0.06 4.97 1.01 -0.60 -4.82 116.67 117.64 3cx5 s ASP 153 Ca 0.03 1.60 -0.06 0.00 0.71 0.00 0.00 52.55 54.83 3cx5 s ASP 153 Cb 0.09 -2.49 -0.05 0.00 1.01 0.00 0.00 42.92 41.47 3cx5 s ASP 153 CO 0.51 -1.32 0.32 -0.31 0.21 0.00 0.00 175.17 174.59 3cx5 s TYR 154 N -3.01 3.55 -0.03 4.23 2.02 -1.26 -0.97 117.35 121.87 3cx5 s TYR 154 Ca 0.58 0.60 -0.35 0.00 -0.37 0.00 0.00 57.07 57.53 3cx5 s TYR 154 Cb -0.14 -2.02 -0.13 0.00 -0.40 0.00 0.00 41.96 39.27 3cx5 s TYR 154 CO 0.53 0.54 1.72 -0.89 -1.57 0.00 0.00 175.55 175.89 3cx5 n ILE 155 N 0.75 0.32 -2.44 2.71 5.41 -0.43 -4.85 119.36 120.83 3cx5 n ILE 155 Ca -0.08 -0.06 -0.37 0.00 1.00 0.00 0.00 62.75 63.25 3cx5 n ILE 155 Cb 0.52 -1.58 -0.03 0.00 -0.71 0.00 0.00 39.64 37.85 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 2.76 4.05 0.53 0.38 0.04 -1.26 -4.30 135.00 137.21 3cx5 s PRO 156 Ca 0.89 1.62 -0.03 0.00 0.04 0.00 0.00 61.00 63.51 3cx5 s PRO 156 Cb -0.77 -2.53 0.00 0.00 0.04 0.00 0.00 34.50 31.24 3cx5 s PRO 156 CO 0.49 -0.26 0.81 0.20 0.04 0.00 0.00 177.00 178.28 3cx5 s GLY 157 N -1.46 1.59 0.41 0.56 0.00 -1.26 -4.72 107.32 102.44 3cx5 s GLY 157 Ca 0.59 -0.83 0.22 0.00 0.00 0.00 0.00 44.72 44.71 3cx5 s GLY 157 CO 0.31 -0.59 1.73 -0.56 0.00 0.00 0.00 173.10 173.98 3cx5 h PRO 158 N 0.06 0.00 -6.54 2.90 0.13 -1.83 -3.46 132.00 123.26 3cx5 h PRO 158 Ca -0.46 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 63.99 3cx5 h PRO 158 Cb 1.25 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.16 3cx5 h PRO 158 CO 0.59 0.26 -0.80 0.71 -0.23 0.00 0.00 178.00 178.53 3cx5 s TYR 159 N -3.46 2.57 -0.01 1.56 1.51 -1.26 -5.02 117.35 113.25 3cx5 s TYR 159 Ca 0.02 -0.25 0.24 0.00 -1.01 0.00 0.00 57.07 56.07 3cx5 s TYR 159 Cb 0.09 -1.49 0.76 0.00 -0.11 0.00 0.00 41.96 41.22 3cx5 s TYR 159 CO 0.66 0.23 1.76 -1.00 -1.11 0.00 0.00 175.55 176.09 3cx5 h PRO 160 N 4.69 0.00 -2.40 -1.71 0.13 -1.96 -3.47 132.00 127.27 3cx5 h PRO 160 Ca -0.47 0.00 0.15 0.00 -0.87 0.00 0.00 66.00 64.81 3cx5 h PRO 160 Cb 1.15 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.19 3cx5 h PRO 160 CO 0.48 0.20 0.46 0.54 -0.23 0.00 0.00 178.00 179.45 3cx5 s ASN 161 N -6.16 -0.24 0.33 1.44 2.20 -1.26 -5.05 114.94 106.20 3cx5 s ASN 161 Ca 0.02 -0.32 0.03 0.00 -0.94 0.00 0.00 52.86 51.66 3cx5 s ASN 161 Cb 0.09 0.49 0.64 0.00 -2.00 0.00 0.00 41.25 40.46 3cx5 s ASN 161 CO 0.64 -0.88 1.91 -0.08 -2.94 0.00 0.00 177.10 175.76 3cx5 h GLU 162 N 2.00 0.87 -0.49 3.55 4.81 -1.99 -1.55 114.58 121.78 3cx5 h GLU 162 Ca -0.24 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 58.93 3cx5 h GLU 162 Cb 1.24 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 30.40 3cx5 h GLU 162 CO 0.27 0.58 0.28 1.96 -0.73 0.00 0.00 179.01 181.36 3cx5 h GLN 163 N 0.90 0.68 -0.58 1.92 7.50 -1.99 -0.71 115.11 122.82 3cx5 h GLN 163 Ca 0.38 -0.08 -0.08 0.00 0.50 0.00 0.00 58.65 59.38 3cx5 h GLN 163 Cb 0.32 -0.14 -0.02 0.00 0.05 0.00 0.00 27.48 27.69 3cx5 h GLN 163 CO -0.15 0.52 0.07 0.00 -1.50 0.00 0.00 178.83 177.77 3cx5 h ALA 164 N 1.12 0.78 -0.05 3.87 0.00 -1.85 -1.49 119.26 121.64 3cx5 h ALA 164 Ca 0.17 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.83 3cx5 h ALA 164 Cb 0.04 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3cx5 h ALA 164 CO -0.03 0.55 -0.04 0.00 0.00 0.00 0.00 179.25 179.74 3cx5 h ALA 165 N 1.00 0.00 -0.43 0.00 0.00 -0.95 -2.07 119.26 116.80 3cx5 h ALA 165 Ca 0.17 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 3cx5 h ALA 165 Cb 0.46 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 3cx5 h ALA 165 CO 0.02 -0.52 -0.09 0.00 0.00 0.00 0.00 179.25 178.66 3cx5 h ARG 166 N -0.05 0.76 0.00 0.00 3.08 -1.04 -2.72 114.38 114.42 3cx5 h ARG 166 Ca 0.03 -0.24 -0.03 0.00 0.07 0.00 0.00 59.98 59.81 3cx5 h ARG 166 Cb 0.09 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.07 3cx5 h ARG 166 CO -0.07 0.83 -0.17 0.00 -1.07 0.00 0.00 179.97 179.49 3cx5 h ALA 167 N 1.20 1.59 -0.01 0.04 0.00 -1.00 0.18 119.26 121.26 3cx5 h ALA 167 Ca 0.12 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3cx5 h ALA 167 Cb 0.56 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3cx5 h ALA 167 CO 0.03 0.21 -0.02 0.00 0.00 0.00 0.00 179.25 179.47 3cx5 n ALA 168 N -2.44 2.62 -2.60 0.00 0.00 -0.80 -4.19 120.51 113.09 3cx5 n ALA 168 Ca -0.02 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 52.99 3cx5 n ALA 168 Cb 0.24 -1.18 0.04 0.00 0.00 0.00 0.00 19.45 18.56 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 0.06 1.58 -3.86 0.00 3.02 -0.67 -5.01 115.26 110.38 3cx5 n ASN 169 Ca 0.19 -2.21 -0.27 0.00 -0.03 0.00 0.00 54.58 52.26 3cx5 n ASN 169 Cb 0.34 -0.41 0.02 0.00 -0.61 0.00 0.00 39.78 39.13 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 -0.22 -4.86 0.00 3.52 6.02 -1.07 -2.05 117.38 118.72 3cx5 n GLN 170 Ca 0.10 0.57 0.00 0.00 -0.01 0.00 0.00 57.00 57.65 3cx5 n GLN 170 Cb 0.94 -5.22 0.00 0.00 1.02 0.00 0.00 30.24 26.98 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 -1.67 2.70 3.87 1.08 0.00 0.56 -5.04 105.19 106.69 3cx5 n GLY 171 Ca -0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.22 3.47 -0.30 4.61 0.00 -0.87 -4.84 121.76 121.61 3cx5 s ALA 172 Ca 0.00 -0.17 -0.05 0.00 0.00 0.00 0.00 51.96 51.74 3cx5 s ALA 172 Cb 0.00 -2.56 0.03 0.00 0.00 0.00 0.00 23.12 20.59 3cx5 s ALA 172 CO 0.00 0.41 0.04 -1.17 0.00 0.00 0.00 175.76 175.04 3cx5 s LEU 173 N -2.97 3.87 -0.05 0.00 2.96 -1.26 -3.96 118.68 117.27 3cx5 s LEU 173 Ca 0.50 -0.99 -0.30 0.00 -0.22 0.00 0.00 54.13 53.12 3cx5 s LEU 173 Cb -0.11 -1.80 -0.05 0.00 0.50 0.00 0.00 46.19 44.74 3cx5 s LEU 173 CO 0.21 -0.23 1.48 -2.84 -1.32 0.00 0.00 176.35 173.64 3cx5 s PRO 174 N 1.38 4.23 0.65 0.98 0.02 -1.26 -4.97 135.00 136.03 3cx5 s PRO 174 Ca -0.01 2.00 -0.15 0.00 0.02 0.00 0.00 61.00 62.85 3cx5 s PRO 174 Cb -0.18 -3.77 -0.00 0.00 0.02 0.00 0.00 34.50 30.56 3cx5 s PRO 174 CO 0.00 -0.71 1.12 -1.25 -0.33 0.00 0.00 177.00 175.83 3cx5 s PRO 175 N 3.26 2.80 0.45 5.54 0.04 -1.26 -4.80 135.00 141.03 3cx5 s PRO 175 Ca 0.66 1.45 -0.25 0.00 0.04 0.00 0.00 61.00 62.90 3cx5 s PRO 175 Cb -0.30 -1.95 -0.08 0.00 0.04 0.00 0.00 34.50 32.22 3cx5 s PRO 175 CO 0.25 -1.26 1.33 0.34 0.04 0.00 0.00 177.00 177.70 3cx5 s ASP 176 N -2.45 5.96 0.00 6.66 2.15 -1.26 -4.47 116.67 123.26 3cx5 s ASP 176 Ca 0.68 2.70 0.19 0.00 0.43 0.00 0.00 52.55 56.55 3cx5 s ASP 176 Cb -0.22 -2.64 0.38 0.00 -0.30 0.00 0.00 42.92 40.15 3cx5 s ASP 176 CO 0.40 -1.10 1.31 0.18 -0.17 0.00 0.00 175.17 175.80 3cx5 n LEU 177 N -0.28 3.21 0.04 -1.34 4.77 -0.66 -4.51 117.00 118.23 3cx5 n LEU 177 Ca 0.06 -1.59 0.14 0.00 -0.03 0.00 0.00 56.01 54.58 3cx5 n LEU 177 Cb 0.44 -0.24 0.60 0.00 -2.33 0.00 0.00 43.42 41.89 3cx5 n LEU 177 CO 0.55 0.72 1.16 0.28 -1.33 0.00 0.00 177.39 178.77 3cx5 h SER 178 N 3.64 0.15 0.00 -1.43 0.02 -1.91 -2.95 113.55 111.07 3cx5 h SER 178 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3cx5 h SER 178 Cb 0.86 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.38 3cx5 h SER 178 CO 0.00 0.09 -0.00 0.18 -1.14 0.00 0.00 176.83 175.96 3cx5 n LEU 179 N -4.45 1.47 -0.30 5.07 4.77 -1.26 -2.10 117.00 120.19 3cx5 n LEU 179 Ca 0.06 -1.48 0.18 0.00 -0.03 0.00 0.00 56.01 54.74 3cx5 n LEU 179 Cb 0.37 -0.00 0.45 0.00 -2.33 0.00 0.00 43.42 41.90 3cx5 n LEU 179 CO 0.35 0.37 1.21 -0.29 -1.33 0.00 0.00 177.39 177.70 3cx5 h ILE 180 N 0.82 0.66 -0.41 -0.08 6.09 -1.75 0.19 117.51 123.03 3cx5 h ILE 180 Ca 0.00 -0.18 -0.08 0.00 -1.37 0.00 0.00 64.86 63.23 3cx5 h ILE 180 Cb 0.64 0.09 -0.02 0.00 0.47 0.00 0.00 36.82 38.00 3cx5 h ILE 180 CO 0.00 0.10 -0.08 0.58 -3.07 0.00 0.00 178.15 175.68 3cx5 h VAL 181 N 0.53 1.24 0.00 2.19 2.07 -1.82 -2.65 116.25 117.81 3cx5 h VAL 181 Ca 0.53 -1.07 0.00 0.00 0.82 0.00 0.00 66.70 66.98 3cx5 h VAL 181 Cb 1.14 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.93 3cx5 h VAL 181 CO -0.26 0.36 -0.74 0.11 0.02 0.00 0.00 177.57 177.06 3cx5 h LYS 182 N 0.64 0.00 -0.23 1.57 1.57 -1.52 -3.36 116.57 115.24 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 0.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 3cx5 h LYS 182 CO 0.03 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.91 3cx5 n ALA 183 N -2.14 2.49 -2.76 3.86 0.00 -0.10 -4.84 120.51 117.03 3cx5 n ALA 183 Ca 0.01 -0.51 -0.18 0.00 0.00 0.00 0.00 53.44 52.77 3cx5 n ALA 183 Cb 0.54 -1.04 -0.15 0.00 0.00 0.00 0.00 19.45 18.80 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 -1.70 0.64 0.16 0.00 1.81 -1.09 -5.01 118.95 113.76 3cx5 s ARG 184 Ca 0.26 -0.27 -0.31 0.00 -1.72 0.00 0.00 55.73 53.69 3cx5 s ARG 184 Cb 0.14 -0.62 -0.09 0.00 -0.45 0.00 0.00 34.95 33.93 3cx5 s ARG 184 CO 0.20 0.15 1.45 -1.58 -0.68 0.00 0.00 175.30 174.84 3cx5 s HIS 185 N -0.12 3.14 0.00 -0.53 5.65 -1.26 -2.38 115.29 119.79 3cx5 s HIS 185 Ca 0.02 0.88 0.00 0.00 0.25 0.00 0.00 55.06 56.21 3cx5 s HIS 185 Cb -0.04 -3.78 0.00 0.00 -1.18 0.00 0.00 32.58 27.58 3cx5 s HIS 185 CO -0.00 -2.73 0.00 0.41 -0.65 0.00 0.00 174.74 171.76 3cx5 n GLY 186 N 3.23 2.71 7.00 1.59 0.00 -1.26 -4.73 105.19 113.74 3cx5 n GLY 186 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.89 2.86 0.35 -0.02 0.00 -1.00 -1.91 105.19 104.58 3cx5 n GLY 187 Ca 0.00 -0.13 0.07 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 0.93 0.58 -0.13 0.00 3.32 -1.70 -0.49 116.42 118.94 3cx5 h ASP 189 Ca 0.50 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.52 3cx5 h ASP 189 Cb 0.53 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 3cx5 h ASP 189 CO -0.28 0.42 0.03 0.22 -1.72 0.00 0.00 179.24 177.90 3cx5 h TYR 190 N 0.69 0.22 -0.27 4.55 3.20 -1.22 -0.20 116.97 123.95 3cx5 h TYR 190 Ca 0.19 -0.03 0.03 0.00 3.14 0.00 0.00 58.73 62.06 3cx5 h TYR 190 Cb -0.06 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.12 3cx5 h TYR 190 CO -0.04 0.38 0.11 0.82 -1.64 0.00 0.00 178.16 177.78 3cx5 h ILE 191 N -0.00 0.95 -0.02 1.81 1.08 -1.18 -0.00 117.51 120.15 3cx5 h ILE 191 Ca 0.04 -0.08 -0.00 0.00 -0.39 0.00 0.00 64.86 64.43 3cx5 h ILE 191 Cb 0.27 0.69 -0.00 0.00 -3.07 0.00 0.00 36.82 34.71 3cx5 h ILE 191 CO 0.00 0.04 0.01 0.15 -0.69 0.00 0.00 178.15 177.66 3cx5 h PHE 192 N 0.24 0.03 -0.41 1.37 3.57 -1.06 -2.28 116.94 118.40 3cx5 h PHE 192 Ca 0.12 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.62 3cx5 h PHE 192 Cb 0.07 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.78 3cx5 h PHE 192 CO -0.12 0.12 0.25 0.77 -2.23 0.00 0.00 178.31 177.10 3cx5 h SER 193 N -0.07 0.47 0.18 0.41 0.02 -0.78 -2.14 113.55 111.64 3cx5 h SER 193 Ca 0.01 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 3cx5 h SER 193 Cb 0.10 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.52 3cx5 h SER 193 CO -0.00 0.36 -0.08 0.25 -1.14 0.00 0.00 176.83 176.22 3cx5 h LEU 194 N 0.55 -0.20 -1.91 5.07 5.85 -0.80 0.57 115.31 124.44 3cx5 h LEU 194 Ca 0.15 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 3cx5 h LEU 194 Cb -0.03 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.05 3cx5 h LEU 194 CO -0.03 0.13 -0.06 -0.07 -0.34 0.00 0.00 178.44 178.07 3cx5 h LEU 195 N -0.55 0.00 -2.87 2.25 3.38 -1.15 -2.21 115.31 114.16 3cx5 h LEU 195 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3cx5 h LEU 195 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3cx5 h LEU 195 CO 0.04 0.06 0.00 0.35 0.09 0.00 0.00 178.44 178.98 3cx5 n THR 196 N -4.41 1.03 -0.66 0.22 -2.24 -0.83 -4.64 114.28 102.76 3cx5 n THR 196 Ca -0.03 -1.02 0.08 0.00 -2.27 0.00 0.00 64.05 60.81 3cx5 n THR 196 Cb 0.14 0.48 0.28 0.00 -2.10 0.00 0.00 70.33 69.13 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 0.73 3.23 3.62 3.38 0.00 0.19 -4.95 105.19 111.39 3cx5 n GLY 197 Ca 0.15 -0.80 -0.42 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.04 3.17 0.70 1.61 1.51 -1.26 -4.35 117.35 116.69 3cx5 s TYR 198 Ca 0.41 0.94 -0.11 0.00 -1.01 0.00 0.00 57.07 57.30 3cx5 s TYR 198 Cb 0.29 -3.45 0.01 0.00 -0.11 0.00 0.00 41.96 38.70 3cx5 s TYR 198 CO 0.16 -0.68 1.09 -2.14 -1.11 0.00 0.00 175.55 172.87 3cx5 s PRO 199 N 3.28 2.90 0.34 -1.71 0.02 -1.26 -4.97 135.00 133.60 3cx5 s PRO 199 Ca 0.38 0.46 0.09 0.00 0.02 0.00 0.00 61.00 61.95 3cx5 s PRO 199 Cb -0.13 -2.03 0.60 0.00 0.02 0.00 0.00 34.50 32.96 3cx5 s PRO 199 CO 0.14 -1.00 1.78 -0.44 -0.33 0.00 0.00 177.00 177.15 3cx5 h ASP 200 N -0.62 0.16 -4.96 2.53 3.32 -1.96 -3.45 116.42 111.44 3cx5 h ASP 200 Ca -0.45 -0.06 -0.15 0.00 0.02 0.00 0.00 57.03 56.39 3cx5 h ASP 200 Cb 1.25 -0.04 -0.21 0.00 0.22 0.00 0.00 39.33 40.55 3cx5 h ASP 200 CO 0.64 0.50 -0.56 -0.70 -1.72 0.00 0.00 179.24 177.40 3cx5 s GLU 201 N -4.26 0.42 0.71 3.56 2.56 -1.26 -5.10 118.70 115.33 3cx5 s GLU 201 Ca -0.04 -0.46 -0.11 0.00 0.00 0.00 0.00 54.97 54.35 3cx5 s GLU 201 Cb 0.14 0.17 0.02 0.00 2.00 0.00 0.00 34.13 36.46 3cx5 s GLU 201 CO 0.75 -0.09 1.07 -1.25 -0.56 0.00 0.00 175.26 175.18 3cx5 s PRO 202 N -1.39 2.74 0.59 4.30 0.04 -1.26 -4.99 135.00 135.02 3cx5 s PRO 202 Ca -0.15 1.08 -0.20 0.00 0.04 0.00 0.00 61.00 61.77 3cx5 s PRO 202 Cb -0.08 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.46 3cx5 s PRO 202 CO 0.01 -1.26 1.30 -1.25 0.04 0.00 0.00 177.00 175.83 3cx5 s PRO 203 N -4.84 2.90 0.31 0.56 0.04 -1.26 -4.90 135.00 127.82 3cx5 s PRO 203 Ca 0.60 2.07 -0.27 0.00 0.04 0.00 0.00 61.00 63.44 3cx5 s PRO 203 Cb -0.16 -2.04 -0.14 0.00 0.04 0.00 0.00 34.50 32.21 3cx5 s PRO 203 CO 0.53 -1.33 0.99 0.00 0.04 0.00 0.00 177.00 177.23 3cx5 n ALA 204 N -1.46 -0.22 -0.33 8.56 0.00 -1.26 -2.07 120.51 123.74 3cx5 n ALA 204 Ca 0.13 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.93 3cx5 n ALA 204 Cb 0.47 -2.02 0.00 0.00 0.00 0.00 0.00 19.45 17.90 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 1.23 1.69 3.58 0.00 0.00 -1.26 -5.01 105.19 105.42 3cx5 n GLY 205 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.09 4.99 -0.43 1.61 1.01 -0.88 -5.03 120.40 118.59 3cx5 s VAL 206 Ca 0.00 0.57 -0.21 0.00 0.00 0.00 0.00 61.98 62.34 3cx5 s VAL 206 Cb 0.00 -3.96 0.02 0.00 0.00 0.00 0.00 36.38 32.44 3cx5 s VAL 206 CO 0.00 -0.16 0.68 0.00 0.00 0.00 0.00 175.10 175.62 3cx5 s ALA 207 N 2.47 3.35 -0.31 5.51 0.00 -1.26 -4.91 121.76 126.61 3cx5 s ALA 207 Ca 0.21 -1.10 -0.21 0.00 0.00 0.00 0.00 51.96 50.86 3cx5 s ALA 207 Cb -0.15 -3.32 -0.01 0.00 0.00 0.00 0.00 23.12 19.64 3cx5 s ALA 207 CO 0.13 -1.75 0.66 -1.17 0.00 0.00 0.00 175.76 173.63 3cx5 s LEU 208 N 2.91 4.14 0.12 0.00 2.96 -1.26 -5.03 118.68 122.53 3cx5 s LEU 208 Ca 0.25 0.44 -0.35 0.00 -0.22 0.00 0.00 54.13 54.25 3cx5 s LEU 208 Cb -0.14 -2.86 -0.14 0.00 0.50 0.00 0.00 46.19 43.55 3cx5 s LEU 208 CO 0.19 -0.51 1.55 -2.65 -1.32 0.00 0.00 176.35 173.60 3cx5 n PRO 209 N 5.96 1.91 -1.70 0.98 -0.02 -1.26 -4.81 135.00 136.06 3cx5 n PRO 209 Ca -0.00 0.69 -0.62 0.00 -2.02 0.00 0.00 63.50 61.55 3cx5 n PRO 209 Cb 0.49 -2.44 -0.08 0.00 -0.02 0.00 0.00 33.50 31.45 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 3.46 0.60 0.00 0.52 -0.02 -1.26 0.03 135.00 138.33 3cx5 n PRO 210 Ca 0.18 0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 3cx5 n PRO 210 Cb 0.26 -1.81 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 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 3.80 0.42 3.95 -1.23 0.00 -1.26 -5.07 105.19 105.80 3cx5 n GLY 211 Ca 0.27 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.06 3cx5 n GLY 211 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3cx5 s SER 212 N -1.89 5.36 -0.00 1.61 0.01 0.10 -4.76 113.70 114.13 3cx5 s SER 212 Ca 0.00 0.25 0.01 0.00 1.31 0.00 0.00 55.95 57.53 3cx5 s SER 212 Cb 0.00 -1.19 -0.01 0.00 0.21 0.00 0.00 66.02 65.04 3cx5 s SER 212 CO 0.00 -1.12 -0.05 0.20 0.41 0.00 0.00 173.24 172.68 3cx5 s ASN 213 N -4.38 0.56 0.00 2.44 0.01 -0.05 -4.90 114.94 108.63 3cx5 s ASN 213 Ca 0.55 -0.12 -0.24 0.00 -0.71 0.00 0.00 52.86 52.34 3cx5 s ASN 213 Cb -0.10 -0.05 -0.05 0.00 0.41 0.00 0.00 41.25 41.46 3cx5 s ASN 213 CO 0.40 0.04 0.73 -0.47 -1.51 0.00 0.00 177.10 176.29 3cx5 s TYR 214 N -0.21 3.68 -0.25 2.20 5.04 -1.26 -0.76 117.35 125.79 3cx5 s TYR 214 Ca 0.01 1.37 -0.04 0.00 -2.44 0.00 0.00 57.07 55.97 3cx5 s TYR 214 Cb -0.02 -2.79 0.14 0.00 0.35 0.00 0.00 41.96 39.63 3cx5 s TYR 214 CO -0.00 0.23 0.47 1.21 -1.34 0.00 0.00 175.55 176.11 3cx5 s ASN 215 N 0.20 -0.40 0.50 4.32 3.84 -0.36 -4.25 114.94 118.79 3cx5 s ASN 215 Ca 0.37 0.66 0.19 0.00 0.21 0.00 0.00 52.86 54.30 3cx5 s ASN 215 Cb -0.19 1.54 1.24 0.00 -0.55 0.00 0.00 41.25 43.28 3cx5 s ASN 215 CO 0.21 -0.27 2.04 1.55 -2.79 0.00 0.00 177.10 177.84 3cx5 h PRO 216 N 8.12 0.13 0.00 0.43 0.13 -1.82 -2.44 132.00 136.55 3cx5 h PRO 216 Ca -0.20 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 3cx5 h PRO 216 Cb 1.14 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.24 3cx5 h PRO 216 CO 0.22 0.08 0.00 1.88 -0.23 0.00 0.00 178.00 179.96 3cx5 h TYR 217 N 0.13 0.00 -3.36 1.56 -1.99 -1.88 0.22 116.97 111.64 3cx5 h TYR 217 Ca 0.18 0.00 -0.57 0.00 2.00 0.00 0.00 58.73 60.34 3cx5 h TYR 217 Cb 0.54 0.00 -0.06 0.00 2.00 0.00 0.00 36.73 39.21 3cx5 h TYR 217 CO -0.00 0.00 0.11 0.12 -0.00 0.00 0.00 178.16 178.39 3cx5 s PHE 218 N -3.40 3.54 0.05 4.88 5.36 -0.92 -4.35 117.98 123.13 3cx5 s PHE 218 Ca 0.05 1.20 -0.34 0.00 -0.96 0.00 0.00 56.93 56.87 3cx5 s PHE 218 Cb 0.09 -2.81 -0.13 0.00 -0.34 0.00 0.00 43.02 39.82 3cx5 s PHE 218 CO 0.55 0.03 1.68 -2.30 -1.46 0.00 0.00 175.22 173.71 3cx5 n PRO 219 N 4.05 2.04 0.00 10.12 -0.02 -1.26 0.30 135.00 150.23 3cx5 n PRO 219 Ca -0.01 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 3cx5 n PRO 219 Cb 0.51 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 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 3.74 2.77 4.03 -1.23 0.00 -0.25 -4.52 105.19 109.72 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 2.24 3.36 -0.02 0.00 0.15 -4.84 105.19 104.07 3cx5 n GLY 221 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.76 5.89 -0.05 1.61 0.15 -1.26 -1.22 113.70 117.05 3cx5 s SER 222 Ca 0.00 -1.24 0.06 0.00 0.70 0.00 0.00 55.95 55.47 3cx5 s SER 222 Cb 0.00 -2.08 -0.02 0.00 -1.71 0.00 0.00 66.02 62.21 3cx5 s SER 222 CO 0.00 -0.52 -0.23 -0.51 1.20 0.00 0.00 173.24 173.18 3cx5 s ILE 223 N 1.56 2.28 -0.71 6.45 2.07 0.06 -4.88 121.20 128.03 3cx5 s ILE 223 Ca 0.03 -1.00 0.19 0.00 -1.41 0.00 0.00 60.65 58.46 3cx5 s ILE 223 Cb -0.22 -1.83 0.19 0.00 0.13 0.00 0.00 42.46 40.73 3cx5 s ILE 223 CO 0.06 0.57 1.60 0.00 -1.91 0.00 0.00 174.94 175.26 3cx5 n ALA 224 N 2.69 1.66 -2.69 1.50 0.00 -1.26 -0.87 120.51 121.53 3cx5 n ALA 224 Ca -0.17 0.03 -0.37 0.00 0.00 0.00 0.00 53.44 52.93 3cx5 n ALA 224 Cb 0.52 -1.32 -0.07 0.00 0.00 0.00 0.00 19.45 18.58 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 -3.18 4.09 0.54 0.00 0.00 -1.26 -4.88 119.30 114.62 3cx5 s MET 225 Ca 0.05 0.17 0.01 0.00 0.00 0.00 0.00 55.69 55.92 3cx5 s MET 225 Cb 0.09 -3.35 0.03 0.00 0.00 0.00 0.00 34.83 31.60 3cx5 s MET 225 CO 0.33 0.39 0.76 0.00 0.00 0.00 0.00 175.02 176.51 3cx5 s ALA 226 N -0.03 3.89 0.17 4.11 0.00 -1.26 -4.67 121.76 123.96 3cx5 s ALA 226 Ca 0.19 -1.30 -0.32 0.00 0.00 0.00 0.00 51.96 50.53 3cx5 s ALA 226 Cb -0.14 -2.08 -0.10 0.00 0.00 0.00 0.00 23.12 20.80 3cx5 s ALA 226 CO 0.06 -0.70 1.62 0.50 0.00 0.00 0.00 175.76 177.25 3cx5 s ARG 227 N -4.73 4.19 -0.00 0.00 3.52 -1.26 -4.88 118.95 115.79 3cx5 s ARG 227 Ca 0.56 2.43 0.04 0.00 -0.13 0.00 0.00 55.73 58.63 3cx5 s ARG 227 Cb -0.10 -3.17 -0.05 0.00 -1.56 0.00 0.00 34.95 30.06 3cx5 s ARG 227 CO 0.38 -0.66 0.13 1.33 -0.81 0.00 0.00 175.30 175.68 3cx5 n VAL 228 N 4.04 0.00 -3.57 7.11 0.24 -1.26 -5.00 118.33 119.89 3cx5 n VAL 228 Ca 0.15 -0.25 -0.37 0.00 -2.04 0.00 0.00 64.34 61.82 3cx5 n VAL 228 Cb 0.38 0.71 -0.09 0.00 -1.47 0.00 0.00 33.84 33.37 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 -2.72 4.14 0.01 1.34 1.43 -1.26 -5.07 118.68 116.54 3cx5 s LEU 229 Ca 0.00 0.26 0.01 0.00 -1.03 0.00 0.00 54.13 53.37 3cx5 s LEU 229 Cb 0.03 -2.24 -0.01 0.00 0.03 0.00 0.00 46.19 43.99 3cx5 s LEU 229 CO 0.17 0.03 -0.04 -0.36 0.23 0.00 0.00 176.35 176.37 3cx5 s PHE 230 N 1.09 0.34 0.10 0.29 0.40 -1.26 -4.90 117.98 114.03 3cx5 s PHE 230 Ca 0.12 -0.25 -0.36 0.00 -0.60 0.00 0.00 56.93 55.84 3cx5 s PHE 230 Cb -0.14 -0.22 -0.17 0.00 0.51 0.00 0.00 43.02 43.00 3cx5 s PHE 230 CO 0.05 -0.06 1.11 -0.25 0.70 0.00 0.00 175.22 176.77 3cx5 n ASP 231 N 2.37 0.71 -0.74 1.36 10.43 -1.26 -2.48 116.55 126.94 3cx5 n ASP 231 Ca -0.17 1.14 -0.10 0.00 2.57 0.00 0.00 54.79 58.23 3cx5 n ASP 231 Cb 0.57 -1.09 -0.04 0.00 1.84 0.00 0.00 41.12 42.40 3cx5 n ASP 231 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 3cx5 n ASP 232 N 1.98 -5.41 0.15 -2.24 10.43 0.36 -4.88 116.55 116.94 3cx5 n ASP 232 Ca 0.18 0.24 0.12 0.00 2.57 0.00 0.00 54.79 57.90 3cx5 n ASP 232 Cb 0.18 -3.76 0.53 0.00 1.84 0.00 0.00 41.12 39.91 3cx5 n ASP 232 CO 0.00 0.00 0.00 1.15 -1.07 0.00 0.00 177.20 177.28 3cx5 n MET 233 N -1.07 0.19 -4.26 -1.24 0.00 -1.03 -4.61 117.12 105.10 3cx5 n MET 233 Ca -0.10 0.49 -0.21 0.00 0.00 0.00 0.00 57.70 57.89 3cx5 n MET 233 Cb 0.52 -1.91 -0.12 0.00 0.00 0.00 0.00 33.22 31.71 3cx5 n MET 233 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 3cx5 s VAL 234 N -3.40 1.34 -0.43 3.17 1.01 -1.26 -5.09 120.40 115.74 3cx5 s VAL 234 Ca 0.02 -1.34 -0.05 0.00 0.00 0.00 0.00 61.98 60.61 3cx5 s VAL 234 Cb 0.08 -1.25 0.11 0.00 0.00 0.00 0.00 36.38 35.33 3cx5 s VAL 234 CO 0.34 -0.12 0.25 -0.70 0.00 0.00 0.00 175.10 174.87 3cx5 s GLU 235 N -1.69 2.21 0.04 2.72 2.12 -1.26 -4.64 118.70 118.19 3cx5 s GLU 235 Ca 0.02 -1.76 -0.30 0.00 0.36 0.00 0.00 54.97 53.28 3cx5 s GLU 235 Cb -0.10 -3.70 -0.08 0.00 0.26 0.00 0.00 34.13 30.51 3cx5 s GLU 235 CO 0.03 -1.09 1.74 0.71 -0.54 0.00 0.00 175.26 176.11 3cx5 s TYR 236 N 1.24 2.02 0.37 5.30 4.12 -1.26 -4.90 117.35 124.23 3cx5 s TYR 236 Ca 0.07 0.07 0.13 0.00 0.02 0.00 0.00 57.07 57.36 3cx5 s TYR 236 Cb -0.24 -4.04 0.95 0.00 -1.52 0.00 0.00 41.96 37.11 3cx5 s TYR 236 CO -0.03 -4.37 1.80 1.49 0.02 0.00 0.00 175.55 174.47 3cx5 h GLU 237 N 9.16 0.53 -0.01 -0.62 4.81 -1.97 -1.05 114.58 125.43 3cx5 h GLU 237 Ca -0.44 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 3cx5 h GLU 237 Cb 1.21 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.47 3cx5 h GLU 237 CO 0.94 0.35 -0.10 -0.40 -0.73 0.00 0.00 179.01 179.08 3cx5 n ASP 238 N -4.65 0.89 0.00 1.04 5.68 -1.26 -4.94 116.55 113.31 3cx5 n ASP 238 Ca 0.23 -1.01 0.00 0.00 -0.50 0.00 0.00 54.79 53.51 3cx5 n ASP 238 Cb 0.71 0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.70 3cx5 n ASP 238 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3cx5 n GLY 239 N 1.22 0.23 3.73 6.12 0.00 -0.40 -5.06 105.19 111.04 3cx5 n GLY 239 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.06 2.16 0.07 2.61 2.01 -1.26 -4.91 115.64 114.26 3cx5 s THR 240 Ca 0.00 0.13 -0.31 0.00 0.31 0.00 0.00 61.69 61.82 3cx5 s THR 240 Cb 0.00 -3.08 -0.09 0.00 0.01 0.00 0.00 72.50 69.34 3cx5 s THR 240 CO 0.00 0.01 1.75 -2.84 -0.69 0.00 0.00 174.62 172.85 3cx5 s PRO 241 N 0.51 4.17 -1.45 4.92 0.02 -1.26 -4.41 135.00 137.49 3cx5 s PRO 241 Ca 0.69 2.43 -0.08 0.00 0.02 0.00 0.00 61.00 64.06 3cx5 s PRO 241 Cb -0.48 -3.72 -0.02 0.00 0.02 0.00 0.00 34.50 30.30 3cx5 s PRO 241 CO 0.38 -0.81 2.78 0.00 -0.33 0.00 0.00 177.00 179.02 3cx5 n ALA 242 N 6.07 7.26 -1.39 -1.55 0.00 -1.26 -4.84 120.51 124.80 3cx5 n ALA 242 Ca 0.17 -3.67 -0.30 0.00 0.00 0.00 0.00 53.44 49.65 3cx5 n ALA 242 Cb 0.40 -3.12 0.12 0.00 0.00 0.00 0.00 19.45 16.86 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 0.90 2.74 0.16 0.00 -4.23 -1.26 -0.49 115.64 113.45 3cx5 s THR 243 Ca 0.64 0.24 -0.16 0.00 -1.18 0.00 0.00 61.69 61.23 3cx5 s THR 243 Cb 0.19 -2.86 0.03 0.00 1.34 0.00 0.00 72.50 71.19 3cx5 s THR 243 CO -0.07 -0.31 1.77 0.74 -0.54 0.00 0.00 174.62 176.20 3cx5 h THR 244 N -1.36 0.95 -0.16 3.99 2.02 -1.91 -1.38 112.91 115.07 3cx5 h THR 244 Ca -0.49 -0.12 -0.11 0.00 0.77 0.00 0.00 66.41 66.45 3cx5 h THR 244 Cb 1.28 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 68.24 3cx5 h THR 244 CO 0.58 0.07 -0.40 0.77 0.37 0.00 0.00 175.52 176.90 3cx5 h SER 245 N 0.36 0.37 -0.33 4.18 4.64 -1.96 -1.55 113.55 119.26 3cx5 h SER 245 Ca 0.17 -0.16 -0.07 0.00 -0.47 0.00 0.00 61.79 61.26 3cx5 h SER 245 Cb 0.10 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.07 3cx5 h SER 245 CO -0.13 0.74 -0.06 -0.61 -0.87 0.00 0.00 176.83 175.89 3cx5 h GLN 246 N 0.30 0.62 -0.50 4.77 5.75 -1.81 -0.21 115.11 124.02 3cx5 h GLN 246 Ca 0.03 -0.23 -0.09 0.00 -0.15 0.00 0.00 58.65 58.21 3cx5 h GLN 246 Cb 0.84 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 29.33 3cx5 h GLN 246 CO 0.07 0.79 -0.05 0.52 -2.65 0.00 0.00 178.83 177.50 3cx5 h MET 247 N 0.41 0.87 -0.58 1.69 2.86 -1.14 -0.66 114.93 118.38 3cx5 h MET 247 Ca 0.09 -0.27 -0.10 0.00 -2.06 0.00 0.00 59.70 57.36 3cx5 h MET 247 Cb 0.55 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.10 3cx5 h MET 247 CO 0.03 0.90 -0.01 0.00 1.06 0.00 0.00 176.91 178.89 3cx5 h ALA 248 N 1.14 0.78 -0.23 6.32 0.00 -1.11 -0.06 119.26 126.10 3cx5 h ALA 248 Ca 0.14 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 3cx5 h ALA 248 Cb 0.55 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3cx5 h ALA 248 CO 0.03 0.63 0.04 -0.22 0.00 0.00 0.00 179.25 179.73 3cx5 h LYS 249 N 0.92 0.38 -0.21 0.00 3.11 -0.77 -1.91 116.57 118.09 3cx5 h LYS 249 Ca 0.16 -0.10 -0.03 0.00 -2.81 0.00 0.00 60.65 57.87 3cx5 h LYS 249 Cb 0.57 -0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 31.74 3cx5 h LYS 249 CO 0.03 0.52 0.01 -0.44 -2.81 0.00 0.00 179.45 176.76 3cx5 h ASP 250 N 0.19 0.35 -0.09 4.20 3.32 -0.99 -2.28 116.42 121.11 3cx5 h ASP 250 Ca 0.07 -0.29 -0.09 0.00 0.02 0.00 0.00 57.03 56.74 3cx5 h ASP 250 Cb 0.32 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 3cx5 h ASP 250 CO 0.00 0.55 -0.20 1.62 -1.72 0.00 0.00 179.24 179.50 3cx5 h VAL 251 N 0.13 1.25 -0.48 -1.35 3.04 -1.02 -1.64 116.25 116.17 3cx5 h VAL 251 Ca 0.06 -1.17 -0.10 0.00 -1.01 0.00 0.00 66.70 64.49 3cx5 h VAL 251 Cb 0.37 1.26 -0.02 0.00 -2.01 0.00 0.00 31.29 30.90 3cx5 h VAL 251 CO 0.01 0.37 -0.09 0.74 -1.01 0.00 0.00 177.57 177.59 3cx5 h THR 252 N 0.44 1.26 -0.58 3.17 2.02 -1.29 -0.17 112.91 117.76 3cx5 h THR 252 Ca 0.07 -1.18 -0.08 0.00 0.77 0.00 0.00 66.41 65.99 3cx5 h THR 252 Cb 0.60 0.99 -0.02 0.00 -1.74 0.00 0.00 68.15 67.97 3cx5 h THR 252 CO 0.04 0.41 0.06 0.74 0.37 0.00 0.00 175.52 177.14 3cx5 h THR 253 N 0.79 1.26 -0.43 3.16 2.02 -1.05 0.09 112.91 118.75 3cx5 h THR 253 Ca 0.13 -1.04 -0.03 0.00 0.77 0.00 0.00 66.41 66.24 3cx5 h THR 253 Cb 0.60 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 67.80 3cx5 h THR 253 CO 0.04 0.38 0.17 0.15 0.37 0.00 0.00 175.52 176.62 3cx5 h PHE 254 N 0.87 0.65 -0.05 3.16 3.57 -0.98 -2.01 116.94 122.15 3cx5 h PHE 254 Ca 0.17 -0.05 -0.05 0.00 3.53 0.00 0.00 57.97 61.57 3cx5 h PHE 254 Cb 0.47 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 3cx5 h PHE 254 CO 0.03 0.57 -0.22 -0.07 -2.23 0.00 0.00 178.31 176.40 3cx5 h LEU 255 N 0.55 0.07 -0.57 0.59 3.38 -0.72 -0.61 115.31 118.00 3cx5 h LEU 255 Ca 0.14 -0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.95 3cx5 h LEU 255 Cb 0.20 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 3cx5 h LEU 255 CO -0.01 0.30 -0.44 -1.13 0.09 0.00 0.00 178.44 177.24 3cx5 h ASN 256 N 0.07 0.69 -0.39 -0.43 -0.00 -0.59 -1.79 115.58 113.15 3cx5 h ASN 256 Ca 0.01 -0.33 -0.14 0.00 -0.00 0.00 0.00 56.30 55.84 3cx5 h ASN 256 Cb 0.43 -0.19 -0.01 0.00 -0.00 0.00 0.00 38.32 38.55 3cx5 h ASN 256 CO 0.03 1.04 -0.31 -0.25 -0.00 0.00 0.00 177.43 177.94 3cx5 h TRP 257 N 0.52 1.08 -0.86 0.67 7.01 -0.86 0.63 115.95 124.14 3cx5 h TRP 257 Ca 0.03 -0.29 0.01 0.00 2.11 0.00 0.00 58.89 60.75 3cx5 h TRP 257 Cb 0.98 -0.24 -0.04 0.00 -2.10 0.00 0.00 29.16 27.76 3cx5 h TRP 257 CO 0.04 1.10 0.57 0.00 -2.79 0.00 0.00 178.44 177.37 3cx5 h ALA 259 N 1.47 0.28 -2.06 0.00 0.00 -0.77 -3.40 119.26 114.77 3cx5 h ALA 259 Ca 0.32 -0.90 -0.56 0.00 0.00 0.00 0.00 54.91 53.77 3cx5 h ALA 259 Cb -0.12 -0.11 -0.40 0.00 0.00 0.00 0.00 17.79 17.16 3cx5 h ALA 259 CO -0.07 1.17 -0.98 0.39 0.00 0.00 0.00 179.25 179.75 3cx5 n GLU 260 N -3.40 1.31 0.28 0.00 1.02 0.20 -4.95 120.64 115.09 3cx5 n GLU 260 Ca -0.02 -3.66 0.19 0.00 -0.02 0.00 0.00 57.16 53.64 3cx5 n GLU 260 Cb 0.96 -1.59 0.95 0.00 -0.02 0.00 0.00 31.44 31.75 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 3.80 0.00 -0.00 3.49 0.13 -1.32 -1.20 132.00 136.89 3cx5 h PRO 261 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3cx5 h PRO 261 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 3cx5 h PRO 261 CO 0.57 0.00 -0.20 -0.85 -0.23 0.00 0.00 178.00 177.29 3cx5 n GLU 262 N -2.85 0.54 -0.29 0.86 0.00 -1.26 -4.56 120.64 113.08 3cx5 n GLU 262 Ca -0.02 -0.24 -0.08 0.00 0.00 0.00 0.00 57.16 56.83 3cx5 n GLU 262 Cb 0.11 -1.50 -0.07 0.00 0.00 0.00 0.00 31.44 29.99 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 -1.02 -0.31 -0.17 -1.84 -0.00 -0.45 -0.57 115.22 110.87 3cx5 n HIS 263 Ca 0.12 0.87 -0.06 0.00 0.46 0.00 0.00 57.72 59.10 3cx5 n HIS 263 Cb 0.31 -0.54 0.03 0.00 -0.12 0.00 0.00 29.99 29.67 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 0.51 0.14 0.26 5.19 -1.84 -2.08 116.42 118.59 3cx5 h ASP 264 Ca 0.11 0.00 -0.18 0.00 -0.62 0.00 0.00 57.03 56.34 3cx5 h ASP 264 Cb 0.28 -0.11 -0.00 0.00 0.18 0.00 0.00 39.33 39.68 3cx5 h ASP 264 CO -0.65 0.36 -0.67 -0.08 -3.12 0.00 0.00 179.24 175.07 3cx5 h GLU 265 N 0.62 0.49 -0.39 3.56 4.57 -1.72 -2.66 114.58 119.05 3cx5 h GLU 265 Ca 0.20 -0.37 0.00 0.00 -1.18 0.00 0.00 59.36 58.01 3cx5 h GLU 265 Cb 0.00 0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.64 3cx5 h GLU 265 CO -0.08 0.99 0.25 -0.09 -1.18 0.00 0.00 179.01 178.90 3cx5 h ARG 266 N 0.35 0.52 -0.11 1.92 2.43 -0.62 0.90 114.38 119.77 3cx5 h ARG 266 Ca -0.02 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.01 3cx5 h ARG 266 Cb 1.24 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.67 3cx5 h ARG 266 CO 0.12 0.37 -0.37 0.87 -1.51 0.00 0.00 179.97 179.45 3cx5 h LYS 267 N 0.52 0.24 -0.25 0.20 1.57 -1.41 0.72 116.57 118.15 3cx5 h LYS 267 Ca 0.14 -0.10 -0.10 0.00 -1.87 0.00 0.00 60.65 58.72 3cx5 h LYS 267 Cb -0.03 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.27 3cx5 h LYS 267 CO -0.03 0.58 -0.24 -0.09 -0.57 0.00 0.00 179.45 179.10 3cx5 h ARG 268 N 0.20 0.61 -0.10 3.15 2.43 -1.06 -2.41 114.38 117.21 3cx5 h ARG 268 Ca 0.02 -0.32 -0.07 0.00 -0.81 0.00 0.00 59.98 58.80 3cx5 h ARG 268 Cb 0.75 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.30 3cx5 h ARG 268 CO 0.06 0.92 -0.26 -0.07 -1.51 0.00 0.00 179.97 179.10 3cx5 h LEU 269 N 0.33 0.17 -0.82 3.80 3.38 -0.61 -2.57 115.31 118.98 3cx5 h LEU 269 Ca 0.04 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 3cx5 h LEU 269 Cb 0.80 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.48 3cx5 h LEU 269 CO 0.06 0.43 0.14 1.23 0.09 0.00 0.00 178.44 180.39 3cx5 h GLY 270 N 0.93 1.11 0.94 0.83 0.00 -0.71 -0.83 103.07 105.34 3cx5 h GLY 270 Ca 0.02 -0.69 -0.01 0.00 0.00 0.00 0.00 47.33 46.66 3cx5 h GLY 270 CO 0.04 0.64 0.12 -2.00 0.00 0.00 0.00 176.54 175.34 3cx5 h LEU 271 N 0.98 0.29 -0.25 3.11 5.85 -1.03 0.55 115.31 124.81 3cx5 h LEU 271 Ca 0.20 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 3cx5 h LEU 271 Cb 0.37 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 3cx5 h LEU 271 CO 0.00 0.30 0.14 0.11 -0.34 0.00 0.00 178.44 178.66 3cx5 h LYS 272 N 0.25 0.34 -0.30 1.25 1.57 -1.34 -2.03 116.57 116.31 3cx5 h LYS 272 Ca 0.08 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 3cx5 h LYS 272 Cb 0.08 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 3cx5 h LYS 272 CO -0.01 0.29 0.11 1.15 -0.57 0.00 0.00 179.45 180.42 3cx5 h THR 273 N 0.30 1.19 -0.40 -0.16 2.02 -0.98 -2.07 112.91 112.81 3cx5 h THR 273 Ca 0.09 -0.58 -0.11 0.00 0.77 0.00 0.00 66.41 66.58 3cx5 h THR 273 Cb 0.04 1.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.44 3cx5 h THR 273 CO -0.02 0.20 -0.19 0.58 0.37 0.00 0.00 175.52 176.46 3cx5 h VAL 274 N 0.34 1.27 -0.36 3.16 2.07 -0.87 -1.32 116.25 120.53 3cx5 h VAL 274 Ca 0.10 -1.29 -0.06 0.00 0.82 0.00 0.00 66.70 66.27 3cx5 h VAL 274 Cb 0.20 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 3cx5 h VAL 274 CO -0.01 0.43 0.00 0.40 0.02 0.00 0.00 177.57 178.42 3cx5 h ILE 275 N 0.68 1.26 -0.22 4.57 2.04 -1.29 -0.73 117.51 123.82 3cx5 h ILE 275 Ca 0.10 -0.98 -0.02 0.00 1.00 0.00 0.00 64.86 64.96 3cx5 h ILE 275 Cb 0.70 1.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.94 3cx5 h ILE 275 CO 0.05 0.32 0.05 0.40 0.00 0.00 0.00 178.15 178.98 3cx5 h ILE 276 N 0.46 1.21 -0.26 -0.67 2.04 -1.28 -2.27 117.51 116.74 3cx5 h ILE 276 Ca 0.10 -0.69 -0.11 0.00 1.00 0.00 0.00 64.86 65.17 3cx5 h ILE 276 Cb 0.45 1.25 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 3cx5 h ILE 276 CO 0.02 0.22 -0.29 -0.07 0.00 0.00 0.00 178.15 178.03 3cx5 h LEU 277 N 0.17 0.52 -0.21 1.44 3.38 -1.24 -0.38 115.31 119.00 3cx5 h LEU 277 Ca 0.07 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 3cx5 h LEU 277 Cb 0.28 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3cx5 h LEU 277 CO 0.00 0.79 0.08 0.28 0.09 0.00 0.00 178.44 179.68 3cx5 h SER 278 N 0.45 0.29 -0.42 -0.43 0.02 -1.06 0.59 113.55 112.99 3cx5 h SER 278 Ca 0.06 -0.18 -0.02 0.00 -0.84 0.00 0.00 61.79 60.81 3cx5 h SER 278 Cb 0.73 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.17 3cx5 h SER 278 CO 0.06 0.39 0.19 0.28 -1.14 0.00 0.00 176.83 176.61 3cx5 h SER 279 N 0.18 0.55 -0.70 3.07 0.02 -1.26 -1.88 113.55 113.53 3cx5 h SER 279 Ca 0.07 -0.14 0.01 0.00 -0.84 0.00 0.00 61.79 60.90 3cx5 h SER 279 Cb 0.20 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 62.56 3cx5 h SER 279 CO -0.00 0.54 0.46 -0.07 -1.14 0.00 0.00 176.83 176.61 3cx5 h LEU 280 N 0.53 0.78 -0.29 5.07 4.07 -0.88 0.11 115.31 124.70 3cx5 h LEU 280 Ca 0.14 -0.01 -0.01 0.00 0.08 0.00 0.00 57.88 58.07 3cx5 h LEU 280 Cb 0.14 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 41.68 3cx5 h LEU 280 CO -0.02 0.56 0.13 0.22 -1.08 0.00 0.00 178.44 178.24 3cx5 h TYR 281 N 0.92 0.43 -0.69 1.13 3.20 -0.63 0.22 116.97 121.55 3cx5 h TYR 281 Ca 0.26 -0.03 -0.07 0.00 3.14 0.00 0.00 58.73 62.04 3cx5 h TYR 281 Cb -0.07 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.04 3cx5 h TYR 281 CO -0.03 0.42 0.17 -0.07 -1.64 0.00 0.00 178.16 177.01 3cx5 h LEU 282 N 0.33 1.05 -0.55 2.82 3.38 -1.06 -2.41 115.31 118.87 3cx5 h LEU 282 Ca 0.10 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 3cx5 h LEU 282 Cb 0.16 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 3cx5 h LEU 282 CO -0.01 1.01 0.24 -0.07 0.09 0.00 0.00 178.44 179.70 3cx5 h LEU 283 N 1.04 0.74 -1.21 1.67 4.07 -0.59 -2.82 115.31 118.21 3cx5 h LEU 283 Ca 0.22 -0.15 -0.06 0.00 0.08 0.00 0.00 57.88 57.97 3cx5 h LEU 283 Cb 0.36 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 41.90 3cx5 h LEU 283 CO 0.00 0.68 -0.11 0.77 -1.08 0.00 0.00 178.44 178.71 3cx5 h SER 284 N 0.74 0.39 -0.28 -0.43 4.64 -0.69 -1.43 113.55 116.50 3cx5 h SER 284 Ca 0.19 -0.09 -0.02 0.00 -0.47 0.00 0.00 61.79 61.39 3cx5 h SER 284 Cb 0.16 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 3cx5 h SER 284 CO -0.02 0.54 0.10 0.40 -0.87 0.00 0.00 176.83 176.98 3cx5 h ILE 285 N 0.39 1.19 -0.41 0.95 2.04 -1.20 0.29 117.51 120.76 3cx5 h ILE 285 Ca 0.08 -0.61 -0.03 0.00 1.00 0.00 0.00 64.86 65.30 3cx5 h ILE 285 Cb 0.43 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.56 3cx5 h ILE 285 CO 0.02 0.20 0.15 -0.25 0.00 0.00 0.00 178.15 178.28 3cx5 h TRP 286 N 0.30 0.63 -0.57 1.37 7.01 -1.24 -0.19 115.95 123.26 3cx5 h TRP 286 Ca 0.09 -0.05 -0.02 0.00 2.11 0.00 0.00 58.89 61.02 3cx5 h TRP 286 Cb 0.22 -0.19 -0.03 0.00 -2.10 0.00 0.00 29.16 27.07 3cx5 h TRP 286 CO 0.00 0.56 0.26 0.28 -2.79 0.00 0.00 178.44 176.76 3cx5 h VAL 287 N 0.51 1.21 -0.20 2.65 2.07 -1.16 -1.80 116.25 119.53 3cx5 h VAL 287 Ca 0.13 -0.60 -0.00 0.00 0.82 0.00 0.00 66.70 67.05 3cx5 h VAL 287 Cb 0.21 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 3cx5 h VAL 287 CO -0.01 0.24 0.13 0.50 0.02 0.00 0.00 177.57 178.45 3cx5 h LYS 288 N 0.77 0.27 -0.97 1.57 3.11 -0.62 -0.72 116.57 119.98 3cx5 h LYS 288 Ca 0.19 -0.02 0.04 0.00 -2.81 0.00 0.00 60.65 58.05 3cx5 h LYS 288 Cb 0.13 -0.06 -0.06 0.00 -1.00 0.00 0.00 32.23 31.25 3cx5 h LYS 288 CO -0.02 0.22 0.63 0.87 -2.81 0.00 0.00 179.45 178.34 3cx5 h LYS 289 N 0.25 1.16 -0.12 1.90 1.57 -0.83 -0.71 116.57 119.79 3cx5 h LYS 289 Ca 0.07 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 3cx5 h LYS 289 Cb 0.01 -0.26 -0.00 0.00 0.08 0.00 0.00 32.23 32.05 3cx5 h LYS 289 CO -0.01 0.77 0.02 0.35 -0.57 0.00 0.00 179.45 180.00 3cx5 h PHE 290 N 1.20 0.22 0.00 -1.35 3.04 -0.95 -1.11 116.94 117.98 3cx5 h PHE 290 Ca 0.40 -0.03 -0.01 0.00 3.98 0.00 0.00 57.97 62.30 3cx5 h PHE 290 Cb 0.05 -0.06 -0.00 0.00 2.56 0.00 0.00 35.95 38.50 3cx5 h PHE 290 CO -0.01 0.40 -0.06 0.87 -2.02 0.00 0.00 178.31 177.49 3cx5 h LYS 291 N -0.03 0.00 -0.02 1.11 1.57 -0.57 -2.47 116.57 116.16 3cx5 h LYS 291 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3cx5 h LYS 291 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 3cx5 h LYS 291 CO 0.00 0.06 -0.39 0.91 -0.57 0.00 0.00 179.45 179.46 3cx5 n TRP 292 N -3.46 0.00 -0.16 -1.35 7.02 -0.32 -4.57 117.44 114.59 3cx5 n TRP 292 Ca -0.02 0.00 0.10 0.00 -1.02 0.00 0.00 57.50 56.56 3cx5 n TRP 292 Cb 0.19 -0.01 0.42 0.00 -2.42 0.00 0.00 31.31 29.49 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 4.01 1.86 -0.21 6.99 0.00 -0.71 -0.04 119.26 131.16 3cx5 h ALA 293 Ca 0.00 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 3cx5 h ALA 293 Cb 0.78 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3cx5 h ALA 293 CO 0.00 -0.01 -0.49 0.78 0.00 0.00 0.00 179.25 179.52 3cx5 h GLY 294 N 0.60 0.63 0.88 0.00 0.00 -1.80 -2.93 103.07 100.45 3cx5 h GLY 294 Ca 0.33 -0.70 -0.19 0.00 0.00 0.00 0.00 47.33 46.78 3cx5 h GLY 294 CO -0.11 0.63 -0.76 -2.22 0.00 0.00 0.00 176.54 174.07 3cx5 h ILE 295 N 0.46 1.40 -0.67 2.60 1.08 -1.66 -3.14 117.51 117.57 3cx5 h ILE 295 Ca 0.02 -2.20 0.04 0.00 -0.39 0.00 0.00 64.86 62.33 3cx5 h ILE 295 Cb 1.03 2.65 -0.04 0.00 -3.07 0.00 0.00 36.82 37.39 3cx5 h ILE 295 CO 0.10 0.65 0.44 0.11 -0.69 0.00 0.00 178.15 178.76 3cx5 h LYS 296 N -0.02 0.74 -0.68 2.37 1.79 -1.07 -2.51 116.57 117.19 3cx5 h LYS 296 Ca -0.10 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.32 3cx5 h LYS 296 Cb 1.47 -0.17 0.00 0.00 -1.58 0.00 0.00 32.23 31.96 3cx5 h LYS 296 CO 0.15 0.49 0.00 0.25 -1.08 0.00 0.00 179.45 179.26 3cx5 n THR 297 N -4.47 1.19 -1.70 -0.16 -2.24 -1.11 -5.00 114.28 100.80 3cx5 n THR 297 Ca 0.09 -1.05 -0.42 0.00 -2.27 0.00 0.00 64.05 60.39 3cx5 n THR 297 Cb 0.16 0.42 -0.00 0.00 -2.10 0.00 0.00 70.33 68.80 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 1.43 2.08 -5.20 -0.78 0.63 -0.95 -5.01 116.66 108.86 3cx5 n ARG 298 Ca 0.24 0.73 -0.30 0.00 -0.92 0.00 0.00 57.85 57.60 3cx5 n ARG 298 Cb 0.67 -2.32 -0.16 0.00 0.45 0.00 0.00 32.46 31.09 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 -1.91 2.31 -0.01 -0.14 -0.14 -1.26 -5.09 119.74 113.50 3cx5 s LYS 299 Ca 0.56 -0.86 0.08 0.00 -1.36 0.00 0.00 55.97 54.39 3cx5 s LYS 299 Cb -0.56 -2.03 -0.02 0.00 -1.68 0.00 0.00 37.83 33.54 3cx5 s LYS 299 CO 0.62 0.40 -0.26 -0.06 -0.76 0.00 0.00 175.35 175.29 3cx5 s PHE 300 N -0.24 2.32 -0.00 3.18 0.40 -1.26 -5.14 117.98 117.24 3cx5 s PHE 300 Ca -0.00 -0.43 0.03 0.00 -0.60 0.00 0.00 56.93 55.92 3cx5 s PHE 300 Cb -0.12 -1.47 -0.01 0.00 0.51 0.00 0.00 43.02 41.93 3cx5 s PHE 300 CO 0.02 -0.00 -0.10 0.14 0.70 0.00 0.00 175.22 175.98 3cx5 s VAL 301 N -0.65 0.77 -0.14 -0.44 -7.23 -1.26 -5.14 120.40 106.30 3cx5 s VAL 301 Ca 0.10 -0.48 0.01 0.00 -1.81 0.00 0.00 61.98 59.81 3cx5 s VAL 301 Cb -0.10 -0.66 -0.00 0.00 0.56 0.00 0.00 36.38 36.18 3cx5 s VAL 301 CO -0.00 0.17 -0.18 0.12 -0.31 0.00 0.00 175.10 174.90 3cx5 s PHE 302 N -0.32 2.73 -0.31 2.82 5.36 -1.26 -5.08 117.98 121.92 3cx5 s PHE 302 Ca 0.03 -1.03 0.02 0.00 -0.96 0.00 0.00 56.93 54.99 3cx5 s PHE 302 Cb -0.04 -1.84 0.09 0.00 -0.34 0.00 0.00 43.02 40.89 3cx5 s PHE 302 CO -0.00 -0.45 0.05 -0.80 -1.46 0.00 0.00 175.22 172.56 3cx5 s ASN 303 N 0.66 4.40 -0.36 6.13 0.01 -1.26 -5.09 114.94 119.44 3cx5 s ASN 303 Ca -0.09 -1.84 -0.42 0.00 -0.71 0.00 0.00 52.86 49.81 3cx5 s ASN 303 Cb -0.16 -1.32 -0.17 0.00 0.41 0.00 0.00 41.25 40.01 3cx5 s ASN 303 CO 0.02 -0.37 1.76 -2.65 -1.51 0.00 0.00 177.10 174.35 3cx5 n PRO 304 N 4.51 0.76 -1.70 -0.60 -0.02 -1.26 -4.88 135.00 131.81 3cx5 n PRO 304 Ca -0.01 0.27 -0.39 0.00 -2.02 0.00 0.00 63.50 61.36 3cx5 n PRO 304 Cb 0.42 -1.92 0.04 0.00 -0.02 0.00 0.00 33.50 32.02 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 5.29 1.52 -2.26 0.52 -0.02 -1.26 -4.93 135.00 133.86 3cx5 n PRO 305 Ca 0.30 0.56 -0.42 0.00 -2.02 0.00 0.00 63.50 61.92 3cx5 n PRO 305 Cb 0.07 -2.43 -0.03 0.00 -0.02 0.00 0.00 33.50 31.09 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 -2.73 4.29 -0.20 -0.52 1.02 -1.26 -4.93 119.74 115.40 3cx5 s LYS 306 Ca 0.71 1.91 -0.33 0.00 0.02 0.00 0.00 55.97 58.29 3cx5 s LYS 306 Cb -0.44 -3.59 -0.10 0.00 -0.52 0.00 0.00 37.83 33.18 3cx5 s LYS 306 CO 0.50 -0.57 2.08 -2.30 -0.92 0.00 0.00 175.35 174.14 3cx5 n PRO 307 N 5.47 1.79 0.00 -1.68 -0.02 -1.26 -4.91 135.00 134.39 3cx5 n PRO 307 Ca 0.13 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 3cx5 n PRO 307 Cb 0.44 -2.77 0.00 0.00 -0.02 0.00 0.00 33.50 31.15 3cx5 n PRO 307 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3cx5 n ARG 308 N 7.76 0.00 0.00 -0.52 1.74 -1.26 -5.35 116.66 119.03 3cx5 n ARG 308 Ca 0.30 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.38 3cx5 n ARG 308 Cb 0.32 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.76 3cx5 n ARG 308 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74