#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qml s LYS 6 N 0.00 4.20 0.05 -0.67 -0.14 -1.26 -5.00 119.74 116.92 2qml s LYS 6 Ca 0.00 0.99 -0.31 0.00 -1.36 0.00 0.00 55.97 55.29 2qml s LYS 6 Cb 0.00 -2.37 -0.07 0.00 -1.68 0.00 0.00 37.83 33.71 2qml s LYS 6 CO 0.00 0.09 1.47 -1.17 -0.76 0.00 0.00 175.35 174.98 2qml s LEU 7 N -2.91 4.34 0.50 3.17 2.96 -1.26 -4.97 118.68 120.51 2qml s LEU 7 Ca 0.57 2.27 -0.20 0.00 -0.22 0.00 0.00 54.13 56.56 2qml s LEU 7 Cb -0.11 -3.57 -0.08 0.00 0.50 0.00 0.00 46.19 42.93 2qml s LEU 7 CO 0.16 -0.75 1.04 0.00 -1.32 0.00 0.00 176.35 175.48 2qml s ALA 8 N 2.13 2.86 0.67 5.97 0.00 -1.26 -4.96 121.76 127.17 2qml s ALA 8 Ca 0.67 0.57 -0.16 0.00 0.00 0.00 0.00 51.96 53.03 2qml s ALA 8 Cb -0.35 -3.25 0.01 0.00 0.00 0.00 0.00 23.12 19.53 2qml s ALA 8 CO 0.29 -0.37 1.17 -1.25 0.00 0.00 0.00 175.76 175.61 2qml s PRO 9 N -3.36 2.59 0.12 0.00 0.04 -1.26 -4.99 135.00 128.13 2qml s PRO 9 Ca 0.66 1.66 -0.19 0.00 0.04 0.00 0.00 61.00 63.18 2qml s PRO 9 Cb -0.16 -1.90 0.05 0.00 0.04 0.00 0.00 34.50 32.53 2qml s PRO 9 CO 0.22 -1.47 0.47 -0.59 0.04 0.00 0.00 177.00 175.67 2qml s PHE 10 N -1.99 -0.33 -0.03 0.56 -0.71 -0.67 -5.02 117.98 109.80 2qml s PHE 10 Ca 0.73 0.09 -0.00 0.00 -1.04 0.00 0.00 56.93 56.71 2qml s PHE 10 Cb -0.27 0.35 0.03 0.00 -1.21 0.00 0.00 43.02 41.92 2qml s PHE 10 CO 0.40 -0.73 0.01 -2.00 -1.34 0.00 0.00 175.22 171.57 2qml s GLU 11 N -3.58 0.18 0.09 1.99 2.12 -1.26 -0.70 118.70 117.54 2qml s GLU 11 Ca 0.01 0.14 0.03 0.00 0.36 0.00 0.00 54.97 55.51 2qml s GLU 11 Cb 0.01 -0.44 -0.04 0.00 0.26 0.00 0.00 34.13 33.92 2qml s GLU 11 CO -0.11 -0.17 -0.08 0.14 -0.54 0.00 0.00 175.26 174.50 2qml s VAL 12 N 1.18 0.76 0.00 3.70 -7.23 0.31 -5.00 120.40 114.13 2qml s VAL 12 Ca -0.08 -1.63 -0.15 0.00 -1.81 0.00 0.00 61.98 58.31 2qml s VAL 12 Cb -0.13 -1.32 -0.06 0.00 0.56 0.00 0.00 36.38 35.43 2qml s VAL 12 CO -0.02 -0.64 0.43 0.12 -0.31 0.00 0.00 175.10 174.68 2qml s PHE 13 N -2.66 3.73 -0.27 2.82 5.36 -1.26 -0.09 117.98 125.61 2qml s PHE 13 Ca 0.04 1.02 -0.00 0.00 -0.96 0.00 0.00 56.93 57.03 2qml s PHE 13 Cb -0.01 -2.33 0.04 0.00 -0.34 0.00 0.00 43.02 40.38 2qml s PHE 13 CO -0.02 0.61 -0.06 0.34 -1.46 0.00 0.00 175.22 174.64 2qml s ASP 14 N -0.98 4.53 0.49 6.13 -1.08 0.43 -4.93 116.67 121.25 2qml s ASP 14 Ca 0.24 -1.16 0.28 0.00 -0.52 0.00 0.00 52.55 51.39 2qml s ASP 14 Cb -0.17 -1.64 0.82 0.00 -1.46 0.00 0.00 42.92 40.47 2qml s ASP 14 CO 0.14 -0.19 1.79 1.12 0.52 0.00 0.00 175.17 178.54 2qml h HIS 15 N 7.94 0.00 -0.05 -5.34 2.07 -1.96 0.96 115.15 118.77 2qml h HIS 15 Ca -0.25 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.25 2qml h HIS 15 Cb 1.07 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.05 2qml h HIS 15 CO 0.60 0.01 -0.03 0.28 -3.07 0.00 0.00 177.93 175.72 2qml h VAL 16 N 0.00 1.33 -0.01 6.12 2.07 -1.93 -3.20 116.25 120.64 2qml h VAL 16 Ca -0.00 -1.05 0.00 0.00 0.82 0.00 0.00 66.70 66.47 2qml h VAL 16 Cb 0.77 1.93 0.00 0.00 -1.52 0.00 0.00 31.29 32.48 2qml h VAL 16 CO 0.00 0.29 -0.40 1.33 0.02 0.00 0.00 177.57 178.80 2qml n VAL 17 N -4.79 0.00 -3.52 2.57 0.24 -1.22 -4.99 118.33 106.61 2qml n VAL 17 Ca -0.07 -0.15 -0.20 0.00 -2.04 0.00 0.00 64.34 61.87 2qml n VAL 17 Cb 0.25 0.71 0.06 0.00 -1.47 0.00 0.00 33.84 33.39 2qml n VAL 17 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 2qml n ASN 18 N -0.57 -3.39 -4.09 -1.34 5.15 0.28 -5.02 115.26 106.28 2qml n ASN 18 Ca 0.10 -0.78 -0.10 0.00 -0.60 0.00 0.00 54.58 53.20 2qml n ASN 18 Cb 0.39 -4.48 -0.11 0.00 -0.53 0.00 0.00 39.78 35.05 2qml n ASN 18 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2qml s LYS 19 N -5.44 0.61 -0.17 1.20 -0.14 -0.87 -5.00 119.74 109.93 2qml s LYS 19 Ca 0.19 -1.01 -0.22 0.00 -1.36 0.00 0.00 55.97 53.57 2qml s LYS 19 Cb -0.04 -0.09 -0.03 0.00 -1.68 0.00 0.00 37.83 35.99 2qml s LYS 19 CO 0.78 -0.02 0.66 0.21 -0.76 0.00 0.00 175.35 176.22 2qml s LYS 20 N -2.77 4.26 -0.18 1.68 2.20 -1.26 -0.43 119.74 123.23 2qml s LYS 20 Ca -0.00 0.70 -0.05 0.00 -0.36 0.00 0.00 55.97 56.25 2qml s LYS 20 Cb -0.01 -3.55 -0.03 0.00 -1.51 0.00 0.00 37.83 32.73 2qml s LYS 20 CO -0.04 -0.19 0.00 -0.51 -0.36 0.00 0.00 175.35 174.25 2qml s LEU 21 N 1.73 3.35 -0.00 5.43 1.43 0.87 -0.59 118.68 130.90 2qml s LEU 21 Ca 0.31 -0.13 0.01 0.00 -1.03 0.00 0.00 54.13 53.29 2qml s LEU 21 Cb -0.16 -1.84 0.00 0.00 0.03 0.00 0.00 46.19 44.22 2qml s LEU 21 CO 0.12 0.11 -0.02 -0.94 0.23 0.00 0.00 176.35 175.85 2qml s SER 22 N 0.71 0.30 -0.09 2.29 1.04 -0.70 -0.53 113.70 116.71 2qml s SER 22 Ca 0.00 -0.04 0.03 0.00 0.48 0.00 0.00 55.95 56.41 2qml s SER 22 Cb -0.14 -0.05 0.01 0.00 0.10 0.00 0.00 66.02 65.94 2qml s SER 22 CO 0.02 0.02 -0.18 -0.36 0.98 0.00 0.00 173.24 173.72 2qml s PHE 23 N 0.03 2.07 0.14 5.02 0.40 0.13 -0.07 117.98 125.70 2qml s PHE 23 Ca 0.00 -0.88 0.04 0.00 -0.60 0.00 0.00 56.93 55.49 2qml s PHE 23 Cb -0.02 -1.44 -0.04 0.00 0.51 0.00 0.00 43.02 42.02 2qml s PHE 23 CO -0.00 -0.40 -0.10 -0.98 0.70 0.00 0.00 175.22 174.44 2qml s ARG 24 N 0.64 1.03 0.27 0.44 1.70 -0.58 -1.68 118.95 120.77 2qml s ARG 24 Ca -0.14 -1.42 -0.30 0.00 -0.47 0.00 0.00 55.73 53.41 2qml s ARG 24 Cb -0.16 -0.58 -0.10 0.00 -0.57 0.00 0.00 34.95 33.53 2qml s ARG 24 CO 0.04 0.07 1.39 -1.01 -1.08 0.00 0.00 175.30 174.70 2qml s HIS 25 N -3.28 3.05 0.54 5.89 3.76 -1.26 -1.04 115.29 122.95 2qml s HIS 25 Ca 0.15 1.17 -0.20 0.00 -0.15 0.00 0.00 55.06 56.03 2qml s HIS 25 Cb 0.02 -3.76 -0.05 0.00 1.11 0.00 0.00 32.58 29.91 2qml s HIS 25 CO 0.00 -2.34 1.20 0.08 -0.85 0.00 0.00 174.74 172.83 2qml s VAL 26 N -0.34 2.77 0.00 -0.90 1.01 -0.18 -4.74 120.40 118.02 2qml s VAL 26 Ca 0.56 0.51 0.00 0.00 0.00 0.00 0.00 61.98 63.05 2qml s VAL 26 Cb -0.41 -3.23 0.00 0.00 0.00 0.00 0.00 36.38 32.75 2qml s VAL 26 CO 0.46 -0.07 0.00 0.35 0.00 0.00 0.00 175.10 175.84 2qml n THR 27 N -1.19 0.00 0.00 3.92 -2.24 -1.26 -4.98 114.28 108.53 2qml n THR 27 Ca 0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 2qml n THR 27 Cb 0.49 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 2qml n THR 27 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2qml n ASP 29 N 0.00 0.00 -0.59 3.42 8.00 -1.26 -4.21 116.55 121.91 2qml n ASP 29 Ca 0.00 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.62 2qml n ASP 29 Cb 0.00 0.00 0.40 0.00 -0.02 0.00 0.00 41.12 41.50 2qml n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2qml n ASP 30 N 0.00 1.80 -0.23 -2.24 8.00 -1.26 -4.53 116.55 118.09 2qml n ASP 30 Ca 0.00 -1.68 -0.07 0.00 0.71 0.00 0.00 54.79 53.76 2qml n ASP 30 Cb 0.00 -0.08 0.04 0.00 -0.02 0.00 0.00 41.12 41.06 2qml n ASP 30 CO 0.00 0.00 0.00 1.62 -0.39 0.00 0.00 177.20 178.43 2qml h VAL 31 N 2.53 1.23 0.00 2.53 3.04 -2.01 -0.73 116.25 122.83 2qml h VAL 31 Ca 0.00 -0.67 0.00 0.00 -1.01 0.00 0.00 66.70 65.02 2qml h VAL 31 Cb 0.55 0.47 0.00 0.00 -2.01 0.00 0.00 31.29 30.30 2qml h VAL 31 CO 0.00 0.27 0.00 0.47 -1.01 0.00 0.00 177.57 177.30 2qml n ASP 32 N -4.46 0.34 0.00 3.17 8.00 -1.26 -0.89 116.55 121.45 2qml n ASP 32 Ca 0.04 -0.50 0.00 0.00 0.71 0.00 0.00 54.79 55.05 2qml n ASP 32 Cb 0.14 -0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.12 2qml n ASP 32 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2qml n LEU 34 N 0.47 0.00 -0.29 0.64 4.77 -0.28 -1.73 117.00 120.58 2qml n LEU 34 Ca 0.00 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 55.99 2qml n LEU 34 Cb 0.07 0.00 0.14 0.00 -2.33 0.00 0.00 43.42 41.30 2qml n LEU 34 CO 0.00 0.00 1.15 -0.74 -1.33 0.00 0.00 177.39 176.47 2qml h HIS 35 N 0.00 0.88 -0.46 -1.77 2.76 -1.25 -2.13 115.15 113.17 2qml h HIS 35 Ca 0.00 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.19 2qml h HIS 35 Cb 0.00 -0.28 -0.02 0.00 1.55 0.00 0.00 27.41 28.66 2qml h HIS 35 CO 0.00 0.42 0.24 1.03 -1.30 0.00 0.00 177.93 178.32 2qml h SER 36 N 0.85 0.58 0.00 3.26 0.87 -1.59 -2.84 113.55 114.69 2qml h SER 36 Ca 0.36 -0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.82 2qml h SER 36 Cb 0.22 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.04 2qml h SER 36 CO -0.19 0.52 0.00 0.79 -0.53 0.00 0.00 176.83 177.42 2qml n TRP 37 N -4.67 0.00 0.00 2.24 8.01 -0.80 -3.03 117.44 119.19 2qml n TRP 37 Ca 0.01 -0.03 0.00 0.00 -1.31 0.00 0.00 57.50 56.17 2qml n TRP 37 Cb 0.09 -0.18 0.00 0.00 -2.01 0.00 0.00 31.31 29.22 2qml n TRP 37 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.69 177.40 2qml n HIS 39 N 1.42 0.00 -2.41 -5.99 8.25 -1.07 -4.75 115.22 110.67 2qml n HIS 39 Ca 0.00 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.06 2qml n HIS 39 Cb 0.02 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.10 2qml n HIS 39 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2qml s GLU 40 N 0.00 4.48 0.41 -0.41 0.41 -1.17 -4.91 118.70 117.52 2qml s GLU 40 Ca 0.00 1.84 0.09 0.00 -0.41 0.00 0.00 54.97 56.49 2qml s GLU 40 Cb 0.00 -3.05 0.87 0.00 -1.78 0.00 0.00 34.13 30.17 2qml s GLU 40 CO 0.00 0.06 2.00 0.93 -0.49 0.00 0.00 175.26 177.76 2qml h GLU 41 N 3.48 0.35 0.00 1.61 4.39 -1.95 -0.85 114.58 121.61 2qml h GLU 41 Ca -0.47 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.18 2qml h GLU 41 Cb 1.22 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.80 2qml h GLU 41 CO 0.66 0.33 0.00 -2.39 -1.16 0.00 0.00 179.01 176.45 2qml n HIS 42 N -4.39 0.57 -0.12 4.33 1.44 -1.26 -3.86 115.22 111.92 2qml n HIS 42 Ca 0.01 0.18 -0.19 0.00 -2.01 0.00 0.00 57.72 55.71 2qml n HIS 42 Cb 0.16 -0.80 -0.12 0.00 0.12 0.00 0.00 29.99 29.35 2qml n HIS 42 CO 0.00 0.00 0.00 0.28 -2.81 0.00 0.00 176.34 173.81 2qml n VAL 43 N -1.98 1.52 -0.21 0.61 0.31 -0.41 -4.68 118.33 113.48 2qml n VAL 43 Ca 0.05 -0.57 0.01 0.00 -0.01 0.00 0.00 64.34 63.81 2qml n VAL 43 Cb 0.33 -1.47 0.09 0.00 -0.91 0.00 0.00 33.84 31.88 2qml n VAL 43 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2qml h ILE 44 N -0.02 0.41 0.00 2.52 2.04 -1.42 -1.42 117.51 119.61 2qml h ILE 44 Ca -0.57 -0.02 -0.01 0.00 1.00 0.00 0.00 64.86 65.26 2qml h ILE 44 Cb 1.90 0.35 -0.00 0.00 -0.74 0.00 0.00 36.82 38.33 2qml h ILE 44 CO -0.08 0.01 -0.06 -0.65 0.00 0.00 0.00 178.15 177.37 2qml h PRO 45 N 0.05 0.00 0.00 2.37 0.11 -1.84 0.07 132.00 132.76 2qml h PRO 45 Ca 0.32 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 66.25 2qml h PRO 45 Cb 0.52 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.59 2qml h PRO 45 CO -0.61 0.06 -2.19 0.66 -0.21 0.00 0.00 178.00 175.71 2qml n TYR 46 N -3.83 0.01 -0.07 0.65 4.01 -0.62 -4.64 117.16 112.67 2qml n TYR 46 Ca -0.03 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.64 2qml n TYR 46 Cb 0.15 -0.75 -0.09 0.00 -0.31 0.00 0.00 39.34 38.34 2qml n TYR 46 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 2qml n TRP 47 N -2.51 0.00 -3.65 -0.72 7.02 -0.70 -5.00 117.44 111.88 2qml n TRP 47 Ca -0.18 0.00 -0.26 0.00 -1.02 0.00 0.00 57.50 56.03 2qml n TRP 47 Cb 0.86 -0.61 0.05 0.00 -2.42 0.00 0.00 31.31 29.19 2qml n TRP 47 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 2qml n LYS 48 N -2.61 -6.52 -0.61 -0.99 5.02 -0.00 -4.89 118.16 107.55 2qml n LYS 48 Ca -0.23 0.74 0.05 0.00 -2.02 0.00 0.00 58.31 56.85 2qml n LYS 48 Cb 0.87 -5.70 0.21 0.00 -0.02 0.00 0.00 35.03 30.39 2qml n LYS 48 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2qml n LEU 49 N -4.73 2.90 -4.12 -0.35 4.77 -1.26 -4.86 117.00 109.35 2qml n LEU 49 Ca 0.01 -3.87 -0.43 0.00 -0.03 0.00 0.00 56.01 51.69 2qml n LEU 49 Cb 0.55 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 2qml n LEU 49 CO 0.67 1.37 2.19 -0.46 -1.33 0.00 0.00 177.39 179.83 2qml n ASN 50 N -1.13 4.57 -4.47 -1.43 6.94 -1.26 -4.72 115.26 113.76 2qml n ASN 50 Ca 0.21 -2.92 -0.23 0.00 -0.02 0.00 0.00 54.58 51.61 2qml n ASN 50 Cb 0.74 -1.65 -0.10 0.00 -2.36 0.00 0.00 39.78 36.40 2qml n ASN 50 CO 0.00 0.00 0.00 0.27 -1.03 0.00 0.00 177.26 176.50 2qml s ILE 51 N 2.91 1.93 0.48 1.53 -4.36 -1.26 -5.05 121.20 117.38 2qml s ILE 51 Ca 0.48 -2.18 -0.23 0.00 -0.26 0.00 0.00 60.65 58.46 2qml s ILE 51 Cb 0.08 -2.50 -0.08 0.00 1.25 0.00 0.00 42.46 41.21 2qml s ILE 51 CO -0.01 -0.28 1.11 -2.65 0.24 0.00 0.00 174.94 173.35 2qml n PRO 52 N -0.65 1.45 -0.33 0.37 -0.02 -1.26 -4.70 135.00 129.85 2qml n PRO 52 Ca -0.05 0.53 0.11 0.00 -2.02 0.00 0.00 63.50 62.06 2qml n PRO 52 Cb 0.63 -2.22 0.29 0.00 -0.02 0.00 0.00 33.50 32.18 2qml n PRO 52 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2qml h LEU 53 N 1.44 0.67 -0.87 2.45 5.85 -1.98 0.04 115.31 122.90 2qml h LEU 53 Ca -0.47 0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.40 2qml h LEU 53 Cb 1.33 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 42.29 2qml h LEU 53 CO 0.56 0.23 0.55 1.62 -0.34 0.00 0.00 178.44 181.07 2qml h VAL 54 N 0.69 1.10 -0.08 1.05 3.04 -2.00 0.33 116.25 120.39 2qml h VAL 54 Ca 0.54 -0.36 -0.13 0.00 -1.01 0.00 0.00 66.70 65.74 2qml h VAL 54 Cb 0.84 -0.03 0.01 0.00 -2.01 0.00 0.00 31.29 30.10 2qml h VAL 54 CO -0.39 0.19 -0.48 0.44 -1.01 0.00 0.00 177.57 176.32 2qml h ASP 55 N 1.05 0.55 -0.91 3.17 3.32 -1.65 -3.01 116.42 118.93 2qml h ASP 55 Ca 0.36 -0.66 0.06 0.00 0.02 0.00 0.00 57.03 56.81 2qml h ASP 55 Cb 0.07 -0.16 -0.06 0.00 0.22 0.00 0.00 39.33 39.39 2qml h ASP 55 CO -0.14 1.13 0.58 0.22 -1.72 0.00 0.00 179.24 179.31 2qml h TYR 56 N 0.01 1.07 -0.39 4.55 3.20 -0.52 -0.33 116.97 124.56 2qml h TYR 56 Ca -0.04 0.03 0.06 0.00 3.14 0.00 0.00 58.73 61.92 2qml h TYR 56 Cb 1.13 -0.35 -0.05 0.00 1.54 0.00 0.00 36.73 39.00 2qml h TYR 56 CO 0.12 0.55 0.07 0.87 -1.64 0.00 0.00 178.16 178.13 2qml h LYS 57 N 1.05 0.19 -0.56 1.82 1.57 -0.94 0.91 116.57 120.61 2qml h LYS 57 Ca 0.40 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 59.13 2qml h LYS 57 Cb 0.17 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 2qml h LYS 57 CO -0.17 0.13 0.20 -0.22 -0.57 0.00 0.00 179.45 178.81 2qml h LYS 58 N 0.20 0.85 -0.09 3.15 1.63 -1.24 -0.68 116.57 120.39 2qml h LYS 58 Ca 0.19 -0.17 -0.00 0.00 -0.85 0.00 0.00 60.65 59.82 2qml h LYS 58 Cb 0.23 -0.13 -0.00 0.00 -0.60 0.00 0.00 32.23 31.72 2qml h LYS 58 CO -0.25 0.76 0.05 1.25 -3.45 0.00 0.00 179.45 177.80 2qml h HIS 59 N 0.77 0.12 -0.65 1.91 2.76 -0.68 -2.38 115.15 117.00 2qml h HIS 59 Ca 0.18 -0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.36 2qml h HIS 59 Cb 0.24 -0.04 -0.04 0.00 1.55 0.00 0.00 27.41 29.13 2qml h HIS 59 CO 0.01 0.16 0.43 1.25 -1.30 0.00 0.00 177.93 178.48 2qml h LEU 60 N 0.04 0.72 -0.71 0.26 5.85 -0.61 -1.42 115.31 119.45 2qml h LEU 60 Ca 0.03 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.79 2qml h LEU 60 Cb 0.08 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 40.88 2qml h LEU 60 CO -0.00 0.52 0.41 -0.61 -0.34 0.00 0.00 178.44 178.41 2qml h GLN 61 N 0.86 0.73 -0.37 1.25 4.15 -1.08 0.24 115.11 120.89 2qml h GLN 61 Ca 0.25 -0.04 -0.03 0.00 0.77 0.00 0.00 58.65 59.60 2qml h GLN 61 Cb -0.07 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.44 2qml h GLN 61 CO -0.07 0.48 0.12 1.15 -1.93 0.00 0.00 178.83 178.59 2qml h THR 62 N 0.75 1.21 -0.32 2.39 2.02 -0.88 -2.29 112.91 115.79 2qml h THR 62 Ca 0.31 -0.66 -0.08 0.00 0.77 0.00 0.00 66.41 66.74 2qml h THR 62 Cb 0.17 0.94 -0.02 0.00 -1.74 0.00 0.00 68.15 67.51 2qml h THR 62 CO -0.17 0.23 -0.15 -0.26 0.37 0.00 0.00 175.52 175.54 2qml h PHE 63 N 0.45 0.62 0.00 3.16 -1.00 -0.86 -2.34 116.94 116.97 2qml h PHE 63 Ca 0.12 -0.11 -0.05 0.00 2.81 0.00 0.00 57.97 60.74 2qml h PHE 63 Cb 0.24 -0.16 -0.01 0.00 3.61 0.00 0.00 35.95 39.63 2qml h PHE 63 CO 0.01 0.69 -0.25 -0.07 -1.61 0.00 0.00 178.31 177.08 2qml h LEU 64 N 0.51 0.00 -1.48 1.54 3.38 -0.69 -2.44 115.31 116.14 2qml h LEU 64 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2qml h LEU 64 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2qml h LEU 64 CO 0.04 0.25 0.00 0.59 0.09 0.00 0.00 178.44 179.40 2qml n ASN 65 N -3.65 2.22 -4.66 -0.43 3.02 -0.89 -4.90 115.26 105.97 2qml n ASN 65 Ca -0.01 -1.80 -0.40 0.00 -0.03 0.00 0.00 54.58 52.34 2qml n ASN 65 Cb 0.37 -0.14 -0.06 0.00 -0.61 0.00 0.00 39.78 39.34 2qml n ASN 65 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2qml s ASP 66 N -1.56 6.73 0.09 6.41 -1.08 -0.92 -4.98 116.67 121.36 2qml s ASP 66 Ca 0.34 0.89 0.26 0.00 -0.52 0.00 0.00 52.55 53.52 2qml s ASP 66 Cb 0.19 -2.37 0.73 0.00 -1.46 0.00 0.00 42.92 40.02 2qml s ASP 66 CO 0.28 -0.29 1.62 0.47 0.52 0.00 0.00 175.17 177.78 2qml n ASP 67 N 5.03 0.52 -0.43 -0.34 8.00 -1.26 -3.44 116.55 124.63 2qml n ASP 67 Ca -0.01 0.28 0.11 0.00 0.71 0.00 0.00 54.79 55.89 2qml n ASP 67 Cb 0.50 -0.27 0.45 0.00 -0.02 0.00 0.00 41.12 41.78 2qml n ASP 67 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qml n HIS 68 N -1.89 0.13 -3.85 1.24 1.44 -1.26 -4.93 115.22 106.11 2qml n HIS 68 Ca 0.05 -0.07 -0.09 0.00 -2.01 0.00 0.00 57.72 55.60 2qml n HIS 68 Cb 0.39 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.43 2qml n HIS 68 CO 0.00 0.00 0.00 1.14 -2.81 0.00 0.00 176.34 174.67 2qml s GLN 69 N -1.87 0.80 -0.10 -1.40 -2.07 -1.22 -1.89 119.66 111.91 2qml s GLN 69 Ca 0.33 -0.84 0.02 0.00 -1.82 0.00 0.00 55.36 53.05 2qml s GLN 69 Cb 0.17 0.33 0.01 0.00 -1.09 0.00 0.00 33.01 32.43 2qml s GLN 69 CO 0.27 -0.25 -0.16 0.99 -1.32 0.00 0.00 175.29 174.82 2qml s THR 70 N -3.42 1.55 0.36 3.63 2.01 0.28 -4.85 115.64 115.19 2qml s THR 70 Ca 0.02 -0.69 0.05 0.00 0.31 0.00 0.00 61.69 61.38 2qml s THR 70 Cb 0.03 -1.40 -0.01 0.00 0.01 0.00 0.00 72.50 71.13 2qml s THR 70 CO -0.09 0.45 0.52 -0.76 -0.69 0.00 0.00 174.62 174.05 2qml s LEU 71 N 0.83 3.89 -0.02 4.42 1.02 -1.26 -0.98 118.68 126.59 2qml s LEU 71 Ca -0.10 -0.09 0.00 0.00 0.02 0.00 0.00 54.13 53.96 2qml s LEU 71 Cb -0.16 -2.83 0.02 0.00 0.02 0.00 0.00 46.19 43.24 2qml s LEU 71 CO 0.01 -0.50 0.02 -0.69 0.02 0.00 0.00 176.35 175.20 2qml s VAL 73 N -2.26 -0.01 -0.08 -1.59 1.01 -0.20 -1.01 120.40 116.25 2qml s VAL 73 Ca 0.46 0.14 -0.01 0.00 0.00 0.00 0.00 61.98 62.57 2qml s VAL 73 Cb -0.10 -0.08 -0.03 0.00 0.00 0.00 0.00 36.38 36.17 2qml s VAL 73 CO 0.33 0.07 -0.04 -0.83 0.00 0.00 0.00 175.10 174.63 2qml s GLY 74 N 0.77 1.76 0.09 4.51 0.00 -0.25 -1.52 107.32 112.66 2qml s GLY 74 Ca -0.07 -0.85 0.06 0.00 0.00 0.00 0.00 44.72 43.86 2qml s GLY 74 CO -0.02 -0.56 -0.15 0.00 0.00 0.00 0.00 173.10 172.37 2qml s ALA 75 N -0.70 1.36 -0.24 3.20 0.00 0.89 -2.33 121.76 123.94 2qml s ALA 75 Ca 0.11 -1.12 -0.01 0.00 0.00 0.00 0.00 51.96 50.93 2qml s ALA 75 Cb -0.11 -0.11 0.03 0.00 0.00 0.00 0.00 23.12 22.92 2qml s ALA 75 CO 0.02 0.18 -0.07 0.42 0.00 0.00 0.00 175.76 176.31 2qml s ILE 76 N -1.50 2.80 -1.54 0.00 -1.09 -0.63 -1.73 121.20 117.53 2qml s ILE 76 Ca 0.02 -1.03 -0.13 0.00 -2.23 0.00 0.00 60.65 57.28 2qml s ILE 76 Cb -0.09 -2.41 0.09 0.00 -1.58 0.00 0.00 42.46 38.47 2qml s ILE 76 CO 0.03 0.22 0.94 0.59 -1.23 0.00 0.00 174.94 175.49 2qml n ASN 77 N 4.66 -4.42 0.00 3.58 3.02 0.24 -1.35 115.26 120.98 2qml n ASN 77 Ca -0.17 -0.81 0.00 0.00 -0.03 0.00 0.00 54.58 53.57 2qml n ASN 77 Cb 0.47 -3.77 0.00 0.00 -0.61 0.00 0.00 39.78 35.87 2qml n ASN 77 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qml n GLY 78 N -1.66 2.77 3.64 7.41 0.00 -1.26 -5.01 105.19 111.07 2qml n GLY 78 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 2qml n GLY 78 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qml s VAL 79 N -2.24 4.79 0.58 1.61 1.01 -0.46 -4.94 120.40 120.75 2qml s VAL 79 Ca 0.00 1.50 -0.17 0.00 0.00 0.00 0.00 61.98 63.31 2qml s VAL 79 Cb 0.00 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 32.18 2qml s VAL 79 CO 0.00 -0.15 1.09 -2.16 0.00 0.00 0.00 175.10 173.88 2qml s PRO 80 N 2.95 3.27 0.00 2.72 0.04 -1.26 -1.60 135.00 141.11 2qml s PRO 80 Ca 0.35 1.40 0.00 0.00 0.04 0.00 0.00 61.00 62.79 2qml s PRO 80 Cb -0.15 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.38 2qml s PRO 80 CO 0.09 -0.88 0.00 -1.13 0.04 0.00 0.00 177.00 175.12 2qml n SER 82 N -1.75 0.00 -4.18 6.66 3.41 -0.98 -4.90 113.62 111.88 2qml n SER 82 Ca 0.10 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.46 2qml n SER 82 Cb 0.52 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.32 2qml n SER 82 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 2qml s TYR 83 N 0.00 1.62 -0.01 7.33 5.04 -0.13 -1.10 117.35 130.11 2qml s TYR 83 Ca 0.00 -0.32 -0.00 0.00 -2.44 0.00 0.00 57.07 54.31 2qml s TYR 83 Cb 0.00 -1.02 0.01 0.00 0.35 0.00 0.00 41.96 41.30 2qml s TYR 83 CO 0.00 -0.00 0.02 -1.58 -1.34 0.00 0.00 175.55 172.64 2qml s TRP 84 N -0.51 0.01 -0.23 4.97 0.52 -1.26 -1.23 118.94 121.20 2qml s TRP 84 Ca 0.07 0.06 0.02 0.00 0.02 0.00 0.00 56.10 56.26 2qml s TRP 84 Cb -0.07 -0.09 0.04 0.00 -1.15 0.00 0.00 33.47 32.20 2qml s TRP 84 CO -0.00 -0.04 -0.14 -1.21 0.02 0.00 0.00 176.95 175.59 2qml s GLU 85 N 0.42 2.58 -0.23 4.98 2.02 -0.27 -4.22 118.70 123.98 2qml s GLU 85 Ca -0.03 -1.12 -0.10 0.00 0.02 0.00 0.00 54.97 53.73 2qml s GLU 85 Cb -0.05 -2.79 -0.05 0.00 0.10 0.00 0.00 34.13 31.34 2qml s GLU 85 CO -0.01 -0.42 0.14 0.45 0.02 0.00 0.00 175.26 175.44 2qml s SER 86 N 1.19 6.08 0.08 -0.19 0.15 -0.15 -0.81 113.70 120.06 2qml s SER 86 Ca -0.03 0.13 -0.05 0.00 0.70 0.00 0.00 55.95 56.71 2qml s SER 86 Cb -0.17 -2.09 -0.02 0.00 -1.71 0.00 0.00 66.02 62.03 2qml s SER 86 CO -0.08 0.10 0.09 -0.72 1.20 0.00 0.00 173.24 173.83 2qml s TYR 87 N 0.84 0.42 -0.12 3.44 -0.85 -0.84 -0.56 117.35 119.67 2qml s TYR 87 Ca 0.07 -0.88 -0.24 0.00 -0.52 0.00 0.00 57.07 55.50 2qml s TYR 87 Cb -0.13 -0.25 -0.03 0.00 0.38 0.00 0.00 41.96 41.93 2qml s TYR 87 CO 0.02 -0.49 0.73 -1.58 -1.52 0.00 0.00 175.55 172.72 2qml s TRP 88 N -3.92 3.50 0.24 -3.49 0.52 -0.79 -0.65 118.94 114.34 2qml s TRP 88 Ca 0.09 1.21 -0.07 0.00 0.02 0.00 0.00 56.10 57.35 2qml s TRP 88 Cb 0.06 -2.87 0.28 0.00 -1.15 0.00 0.00 33.47 29.79 2qml s TRP 88 CO -0.08 -0.06 1.87 0.28 0.02 0.00 0.00 176.95 178.99 2qml h VAL 89 N 4.96 1.12 -0.81 4.03 2.07 -1.55 -2.88 116.25 123.19 2qml h VAL 89 Ca -0.36 -0.37 0.18 0.00 0.82 0.00 0.00 66.70 66.98 2qml h VAL 89 Cb 1.17 -0.04 -0.05 0.00 -1.52 0.00 0.00 31.29 30.85 2qml h VAL 89 CO 0.78 0.19 0.55 0.50 0.02 0.00 0.00 177.57 179.61 2qml h LYS 90 N 1.06 0.35 -0.57 1.57 3.64 -1.82 0.12 116.57 120.93 2qml h LYS 90 Ca 0.35 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.71 2qml h LYS 90 Cb 0.04 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 2qml h LYS 90 CO -0.13 0.23 0.00 0.39 -2.27 0.00 0.00 179.45 177.67 2qml n GLU 91 N -4.47 3.60 -4.29 1.90 4.71 -1.09 -4.91 120.64 116.09 2qml n GLU 91 Ca 0.16 -2.81 -0.25 0.00 -0.01 0.00 0.00 57.16 54.25 2qml n GLU 91 Cb 0.64 -1.84 -0.08 0.00 -1.01 0.00 0.00 31.44 29.15 2qml n GLU 91 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 2qml s ASP 92 N -1.04 4.40 0.50 1.62 2.15 0.43 -5.01 116.67 119.72 2qml s ASP 92 Ca 0.47 -0.60 0.21 0.00 0.43 0.00 0.00 52.55 53.07 2qml s ASP 92 Cb 0.31 -0.79 1.27 0.00 -0.30 0.00 0.00 42.92 43.42 2qml s ASP 92 CO 0.22 0.06 1.99 -0.29 -0.17 0.00 0.00 175.17 176.97 2qml h ILE 93 N 2.37 0.78 0.00 4.11 2.10 -1.93 -2.35 117.51 122.58 2qml h ILE 93 Ca -0.46 -0.05 -0.00 0.00 1.08 0.00 0.00 64.86 65.44 2qml h ILE 93 Cb 1.22 0.63 -0.00 0.00 -1.09 0.00 0.00 36.82 37.59 2qml h ILE 93 CO 0.57 0.02 -0.00 -0.29 -1.08 0.00 0.00 178.15 177.38 2qml h ILE 94 N 0.14 0.00 -0.42 2.19 6.09 -1.95 -2.43 117.51 121.13 2qml h ILE 94 Ca 0.27 -0.43 0.12 0.00 -1.37 0.00 0.00 64.86 63.44 2qml h ILE 94 Cb 0.87 1.43 -0.02 0.00 0.47 0.00 0.00 36.82 39.57 2qml h ILE 94 CO -0.03 0.00 0.32 0.00 -3.07 0.00 0.00 178.15 175.37 2qml h ALA 95 N 2.00 2.33 0.00 0.18 0.00 -1.54 -1.57 119.26 120.66 2qml h ALA 95 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2qml h ALA 95 Cb 0.43 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2qml h ALA 95 CO 0.00 -0.53 0.00 0.09 0.00 0.00 0.00 179.25 178.81 2qml n ASN 96 N -4.29 0.09 -0.17 0.00 3.02 -0.91 -3.93 115.26 109.07 2qml n ASN 96 Ca 0.07 0.52 0.07 0.00 -0.03 0.00 0.00 54.58 55.21 2qml n ASN 96 Cb 0.51 -0.54 -0.04 0.00 -0.61 0.00 0.00 39.78 39.10 2qml n ASN 96 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2qml n TYR 97 N -1.59 0.00 -3.53 3.10 4.02 -0.59 -5.02 117.16 113.55 2qml n TYR 97 Ca 0.04 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.82 2qml n TYR 97 Cb 0.20 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.50 2qml n TYR 97 CO 0.00 0.00 0.00 1.52 -1.01 0.00 0.00 176.86 177.37 2qml s TYR 98 N -2.13 -0.39 -1.28 -0.72 1.13 -1.25 -5.07 117.35 107.64 2qml s TYR 98 Ca 0.09 0.12 -0.17 0.00 -1.41 0.00 0.00 57.07 55.70 2qml s TYR 98 Cb 0.12 0.47 0.01 0.00 -1.10 0.00 0.00 41.96 41.46 2qml s TYR 98 CO 0.50 -0.84 2.00 -0.35 -2.51 0.00 0.00 175.55 174.36 2qml n PRO 99 N -0.34 2.64 -1.61 -3.49 -0.04 -1.26 -4.87 135.00 126.03 2qml n PRO 99 Ca -0.15 -2.69 -0.35 0.00 -0.04 0.00 0.00 63.50 60.27 2qml n PRO 99 Cb 0.64 -3.34 0.07 0.00 -0.04 0.00 0.00 33.50 30.83 2qml n PRO 99 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2qml s PHE 100 N 4.54 2.17 0.13 0.54 -0.71 -1.26 -5.04 117.98 118.34 2qml s PHE 100 Ca 0.53 1.57 -0.02 0.00 -1.04 0.00 0.00 56.93 57.96 2qml s PHE 100 Cb 0.10 -3.48 -0.05 0.00 -1.21 0.00 0.00 43.02 38.38 2qml s PHE 100 CO 0.02 -2.49 0.32 -1.21 -1.34 0.00 0.00 175.22 170.51 2qml s GLU 101 N -3.75 3.53 0.34 1.99 8.01 -1.26 -5.01 118.70 122.54 2qml s GLU 101 Ca 0.75 -0.28 0.13 0.00 0.01 0.00 0.00 54.97 55.58 2qml s GLU 101 Cb -0.30 -2.92 1.06 0.00 -4.31 0.00 0.00 34.13 27.66 2qml s GLU 101 CO 0.42 0.51 1.63 1.49 0.01 0.00 0.00 175.26 179.31 2qml h GLU 102 N 2.72 0.18 -0.47 1.61 4.57 -1.96 -1.40 114.58 119.83 2qml h GLU 102 Ca -0.46 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.71 2qml h GLU 102 Cb 1.17 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.72 2qml h GLU 102 CO 0.73 0.12 0.00 0.72 -1.18 0.00 0.00 179.01 179.40 2qml n HIS 103 N -5.18 1.14 -1.86 0.92 8.25 -1.26 -4.62 115.22 112.61 2qml n HIS 103 Ca 0.31 -0.66 -0.38 0.00 -0.26 0.00 0.00 57.72 56.72 2qml n HIS 103 Cb 0.99 -0.23 0.03 0.00 1.12 0.00 0.00 29.99 31.90 2qml n HIS 103 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2qml s ASP 104 N -1.20 5.50 0.30 0.41 1.01 -0.53 -4.34 116.67 117.83 2qml s ASP 104 Ca 0.43 2.72 0.08 0.00 0.71 0.00 0.00 52.55 56.49 2qml s ASP 104 Cb 0.29 -2.63 -0.06 0.00 1.01 0.00 0.00 42.92 41.53 2qml s ASP 104 CO 0.18 -1.41 -0.09 -1.10 0.21 0.00 0.00 175.17 172.96 2qml s GLN 105 N -2.80 1.66 0.23 8.23 -0.21 -0.94 -1.46 119.66 124.38 2qml s GLN 105 Ca 0.69 -1.84 0.02 0.00 0.02 0.00 0.00 55.36 54.25 2qml s GLN 105 Cb -0.39 -1.42 -0.05 0.00 1.00 0.00 0.00 33.01 32.15 2qml s GLN 105 CO 0.47 0.11 0.05 0.20 -2.12 0.00 0.00 175.29 174.00 2qml s GLY 106 N -3.51 1.58 -0.04 3.09 0.00 0.18 -0.24 107.32 108.37 2qml s GLY 106 Ca 0.30 -1.78 -0.02 0.00 0.00 0.00 0.00 44.72 43.22 2qml s GLY 106 CO 0.14 -1.60 0.09 -1.50 0.00 0.00 0.00 173.10 170.22 2qml s ILE 107 N -3.64 -0.03 0.07 0.90 1.10 -0.95 -2.00 121.20 116.65 2qml s ILE 107 Ca 0.32 0.12 0.09 0.00 -0.51 0.00 0.00 60.65 60.67 2qml s ILE 107 Cb 0.07 -0.15 -0.03 0.00 0.15 0.00 0.00 42.46 42.50 2qml s ILE 107 CO 0.10 0.05 -0.22 -1.00 -2.11 0.00 0.00 174.94 171.76 2qml s HIS 108 N 0.71 2.44 0.14 3.50 3.76 0.01 -4.64 115.29 121.21 2qml s HIS 108 Ca -0.06 -0.33 -0.19 0.00 -0.15 0.00 0.00 55.06 54.34 2qml s HIS 108 Cb -0.08 -1.39 0.05 0.00 1.11 0.00 0.00 32.58 32.27 2qml s HIS 108 CO -0.03 0.25 0.48 -0.48 -0.85 0.00 0.00 174.74 174.11 2qml s LEU 109 N -1.57 0.03 -0.04 0.89 0.05 -1.26 -1.11 118.68 115.66 2qml s LEU 109 Ca 0.14 -0.22 -0.26 0.00 0.05 0.00 0.00 54.13 53.84 2qml s LEU 109 Cb -0.10 2.13 0.06 0.00 -2.05 0.00 0.00 46.19 46.23 2qml s LEU 109 CO 0.05 -0.91 0.57 -1.48 -0.55 0.00 0.00 176.35 174.03 2qml s LEU 110 N -2.79 -0.20 -0.24 1.48 0.05 -0.36 -5.00 118.68 111.62 2qml s LEU 110 Ca 0.03 0.54 -0.11 0.00 0.05 0.00 0.00 54.13 54.64 2qml s LEU 110 Cb 0.01 2.15 -0.05 0.00 -2.05 0.00 0.00 46.19 46.25 2qml s LEU 110 CO -0.12 -0.55 0.18 -0.63 -0.55 0.00 0.00 176.35 174.68 2qml s ILE 111 N -1.20 5.35 0.00 1.48 1.01 -1.26 -0.95 121.20 125.62 2qml s ILE 111 Ca -0.12 0.21 0.00 0.00 0.00 0.00 0.00 60.65 60.75 2qml s ILE 111 Cb -0.02 -3.52 0.00 0.00 0.01 0.00 0.00 42.46 38.94 2qml s ILE 111 CO 0.08 0.33 0.00 0.61 0.00 0.00 0.00 174.94 175.96 2qml n GLY 112 N 4.32 -0.00 3.73 6.18 0.00 -1.26 -4.90 105.19 113.25 2qml n GLY 112 Ca -0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 2qml n GLY 112 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2qml s PRO 113 N -0.72 4.28 0.49 1.61 0.02 -1.26 -4.88 135.00 134.54 2qml s PRO 113 Ca 0.00 2.23 0.21 0.00 0.02 0.00 0.00 61.00 63.46 2qml s PRO 113 Cb 0.00 -3.17 1.25 0.00 0.02 0.00 0.00 34.50 32.60 2qml s PRO 113 CO 0.00 -0.45 1.96 1.96 -0.33 0.00 0.00 177.00 180.14 2qml h GLN 114 N 6.01 0.18 -0.44 5.54 4.20 -1.98 -1.37 115.11 127.26 2qml h GLN 114 Ca -0.44 -0.01 0.13 0.00 0.06 0.00 0.00 58.65 58.39 2qml h GLN 114 Cb 1.21 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.93 2qml h GLN 114 CO 0.84 0.12 0.37 0.93 -0.67 0.00 0.00 178.83 180.42 2qml h GLU 115 N 0.18 0.00 -0.54 1.46 3.07 -2.01 -1.26 114.58 115.48 2qml h GLU 115 Ca 0.31 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.17 2qml h GLU 115 Cb 0.97 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.88 2qml h GLU 115 CO -0.05 0.00 0.00 0.66 -1.40 0.00 0.00 179.01 178.22 2qml n TYR 116 N -4.06 0.72 -3.12 4.33 4.01 -0.52 -4.94 117.16 113.57 2qml n TYR 116 Ca 0.08 -0.41 -0.26 0.00 -0.16 0.00 0.00 57.90 57.15 2qml n TYR 116 Cb 0.57 -0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.58 2qml n TYR 116 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2qml s LEU 117 N -1.14 3.90 -0.60 7.72 1.43 -0.48 -4.49 118.68 125.02 2qml s LEU 117 Ca 0.40 0.69 0.00 0.00 -1.03 0.00 0.00 54.13 54.19 2qml s LEU 117 Cb 0.22 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.87 2qml s LEU 117 CO 0.29 -0.36 0.00 0.61 0.23 0.00 0.00 176.35 177.12 2qml n GLY 118 N -1.69 0.79 0.02 -3.19 0.00 -1.26 -4.89 105.19 94.97 2qml n GLY 118 Ca -0.02 -0.42 0.02 0.00 0.00 0.00 0.00 46.02 45.60 2qml n GLY 118 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2qml n GLN 119 N -2.26 2.60 -1.06 1.61 6.02 -1.26 -4.98 117.38 118.05 2qml n GLN 119 Ca -0.06 -1.67 -0.02 0.00 -0.01 0.00 0.00 57.00 55.24 2qml n GLN 119 Cb 0.26 -1.08 -0.01 0.00 1.02 0.00 0.00 30.24 30.43 2qml n GLN 119 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2qml n GLY 120 N -0.66 0.44 0.25 1.08 0.00 -1.26 -4.91 105.19 100.13 2qml n GLY 120 Ca 0.03 -0.12 0.14 0.00 0.00 0.00 0.00 46.02 46.07 2qml n GLY 120 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2qml h LEU 121 N 0.00 0.00 -1.60 0.99 3.38 -1.94 -3.03 115.31 113.11 2qml h LEU 121 Ca -0.04 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.97 2qml h LEU 121 Cb 0.51 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 2qml h LEU 121 CO 0.06 0.08 0.32 -0.29 0.09 0.00 0.00 178.44 178.71 2qml h ILE 122 N 0.00 1.03 0.63 1.22 6.09 -1.91 -3.13 117.51 121.44 2qml h ILE 122 Ca -0.00 -0.18 -0.03 0.00 -1.37 0.00 0.00 64.86 63.28 2qml h ILE 122 Cb 0.65 0.47 0.01 0.00 0.47 0.00 0.00 36.82 38.42 2qml h ILE 122 CO 0.01 0.09 -0.30 1.88 -3.07 0.00 0.00 178.15 176.76 2qml h TYR 123 N 0.52 -0.79 -0.44 2.19 0.05 -1.95 0.24 116.97 116.78 2qml h TYR 123 Ca 0.20 -0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.95 2qml h TYR 123 Cb 0.15 0.26 -0.02 0.00 1.01 0.00 0.00 36.73 38.13 2qml h TYR 123 CO -0.00 -0.46 0.24 -1.00 -1.05 0.00 0.00 178.16 175.89 2qml h PRO 124 N -0.95 0.60 0.10 4.88 0.13 -1.75 -0.44 132.00 134.56 2qml h PRO 124 Ca -0.09 -0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 64.98 2qml h PRO 124 Cb 0.68 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 31.69 2qml h PRO 124 CO 0.14 0.44 -0.05 -0.07 -0.23 0.00 0.00 178.00 178.23 2qml h LEU 125 N 0.61 -0.11 -0.63 1.56 3.38 -1.48 -1.53 115.31 117.10 2qml h LEU 125 Ca 0.16 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 2qml h LEU 125 Cb 0.01 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 2qml h LEU 125 CO -0.03 0.24 0.34 0.25 0.09 0.00 0.00 178.44 179.33 2qml h LEU 126 N -0.47 0.80 -0.87 1.67 5.85 -0.76 -2.06 115.31 119.46 2qml h LEU 126 Ca -0.01 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.59 2qml h LEU 126 Cb 0.39 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 2qml h LEU 126 CO 0.02 0.68 0.49 -0.07 -0.34 0.00 0.00 178.44 179.22 2qml h LEU 127 N 0.87 1.08 -0.02 2.25 3.38 -1.09 -3.05 115.31 118.72 2qml h LEU 127 Ca 0.22 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 2qml h LEU 127 Cb 0.06 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.54 2qml h LEU 127 CO -0.03 0.86 0.01 0.00 0.09 0.00 0.00 178.44 179.37 2qml h ALA 128 N 1.27 0.03 0.00 1.53 0.00 -0.90 -1.46 119.26 119.72 2qml h ALA 128 Ca 0.31 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2qml h ALA 128 Cb 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2qml h ALA 128 CO -0.05 -0.39 0.00 1.51 0.00 0.00 0.00 179.25 180.32 2qml n ILE 129 N -4.99 0.52 0.00 0.00 3.06 -0.81 -1.85 119.36 115.28 2qml n ILE 129 Ca -0.07 -0.05 0.00 0.00 -2.50 0.00 0.00 62.75 60.13 2qml n ILE 129 Cb 0.10 -0.84 0.00 0.00 0.54 0.00 0.00 39.64 39.45 2qml n ILE 129 CO 0.00 0.00 0.00 1.67 -2.50 0.00 0.00 176.55 175.72 2qml n GLN 131 N 1.06 0.00 0.07 9.51 -0.06 -0.55 -1.32 117.38 126.08 2qml n GLN 131 Ca 0.00 0.00 -0.13 0.00 -2.00 0.00 0.00 57.00 54.87 2qml n GLN 131 Cb 0.21 0.00 -0.07 0.00 -4.06 0.00 0.00 30.24 26.31 2qml n GLN 131 CO 0.00 0.00 0.00 0.37 -0.20 0.00 0.00 177.06 177.23 2qml h GLN 132 N 0.00 -0.08 -0.95 3.69 5.75 -1.64 -2.68 115.11 119.20 2qml h GLN 132 Ca 0.00 0.01 0.04 0.00 -0.15 0.00 0.00 58.65 58.55 2qml h GLN 132 Cb 0.00 0.02 -0.06 0.00 1.07 0.00 0.00 27.48 28.51 2qml h GLN 132 CO 0.00 -0.02 0.62 0.87 -2.65 0.00 0.00 178.83 177.65 2qml h LYS 133 N -0.11 1.13 0.00 1.69 1.57 -1.49 0.35 116.57 119.72 2qml h LYS 133 Ca -0.01 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 2qml h LYS 133 Cb 0.09 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 32.15 2qml h LYS 133 CO 0.01 0.75 0.00 1.19 -0.57 0.00 0.00 179.45 180.83 2qml n PHE 134 N -4.46 0.00 0.82 -1.35 3.72 -1.03 -2.49 117.46 112.67 2qml n PHE 134 Ca 0.13 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.65 2qml n PHE 134 Cb 0.13 -0.40 0.51 0.00 -0.94 0.00 0.00 39.48 38.78 2qml n PHE 134 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 2qml n GLN 135 N -1.40 0.02 -1.67 -1.08 1.13 0.11 -4.63 117.38 109.86 2qml n GLN 135 Ca 0.05 0.10 -0.42 0.00 -1.94 0.00 0.00 57.00 54.79 2qml n GLN 135 Cb 0.15 -1.53 -0.03 0.00 0.11 0.00 0.00 30.24 28.94 2qml n GLN 135 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 2qml s GLU 136 N -3.01 3.91 0.37 -1.09 2.56 -1.04 -4.89 118.70 115.50 2qml s GLU 136 Ca 0.12 2.46 0.06 0.00 0.00 0.00 0.00 54.97 57.61 2qml s GLU 136 Cb 0.16 -4.21 0.76 0.00 2.00 0.00 0.00 34.13 32.84 2qml s GLU 136 CO 0.45 -1.22 1.96 -1.35 -0.56 0.00 0.00 175.26 174.54 2qml h PRO 137 N 11.60 0.71 -0.01 4.30 0.11 -1.92 -2.27 132.00 144.52 2qml h PRO 137 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2qml h PRO 137 Cb 1.24 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2qml h PRO 137 CO 0.95 0.47 -0.19 -0.25 -0.21 0.00 0.00 178.00 178.76 2qml n ASP 138 N -4.48 1.24 -4.63 -2.05 8.00 -1.26 -4.80 116.55 108.57 2qml n ASP 138 Ca 0.10 -1.10 -0.43 0.00 0.71 0.00 0.00 54.79 54.07 2qml n ASP 138 Cb 0.23 0.11 -0.02 0.00 -0.02 0.00 0.00 41.12 41.42 2qml n ASP 138 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2qml s THR 139 N -2.36 4.55 -0.42 -3.53 2.01 -0.86 -4.66 115.64 110.38 2qml s THR 139 Ca 0.28 1.66 0.12 0.00 0.31 0.00 0.00 61.69 64.06 2qml s THR 139 Cb 0.20 -4.38 -0.15 0.00 0.01 0.00 0.00 72.50 68.18 2qml s THR 139 CO 0.47 -0.45 0.45 0.59 -0.69 0.00 0.00 174.62 174.99 2qml n ASN 140 N 6.77 1.01 -3.81 3.53 3.02 -1.26 -4.88 115.26 119.63 2qml n ASN 140 Ca 0.11 -0.57 -0.13 0.00 -0.03 0.00 0.00 54.58 53.95 2qml n ASN 140 Cb 0.47 1.16 -0.15 0.00 -0.61 0.00 0.00 39.78 40.65 2qml n ASN 140 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2qml s THR 141 N -2.35 -0.03 -0.07 3.41 2.01 -1.26 -0.83 115.64 116.52 2qml s THR 141 Ca 0.02 0.11 0.05 0.00 0.31 0.00 0.00 61.69 62.18 2qml s THR 141 Cb 0.09 -0.07 -0.01 0.00 0.01 0.00 0.00 72.50 72.52 2qml s THR 141 CO 0.51 0.05 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.64 2qml s ILE 142 N 0.57 2.34 0.23 1.82 1.01 0.05 -2.21 121.20 125.01 2qml s ILE 142 Ca -0.05 -0.96 0.09 0.00 0.00 0.00 0.00 60.65 59.74 2qml s ILE 142 Cb -0.07 -1.88 -0.04 0.00 0.01 0.00 0.00 42.46 40.48 2qml s ILE 142 CO -0.02 0.57 -0.06 0.68 0.00 0.00 0.00 174.94 176.11 2qml s VAL 143 N -0.14 3.26 0.00 2.92 -7.23 0.66 -0.02 120.40 119.85 2qml s VAL 143 Ca -0.03 -1.86 -0.06 0.00 -1.81 0.00 0.00 61.98 58.23 2qml s VAL 143 Cb -0.14 -2.69 -0.00 0.00 0.56 0.00 0.00 36.38 34.11 2qml s VAL 143 CO 0.04 -0.27 0.10 0.00 -0.31 0.00 0.00 175.10 174.66 2qml s ALA 144 N -2.09 -0.23 -0.42 1.32 0.00 -1.26 -2.25 121.76 116.83 2qml s ALA 144 Ca 0.29 -0.19 0.10 0.00 0.00 0.00 0.00 51.96 52.15 2qml s ALA 144 Cb -0.07 0.09 0.33 0.00 0.00 0.00 0.00 23.12 23.47 2qml s ALA 144 CO 0.18 -0.19 0.73 -0.85 0.00 0.00 0.00 175.76 175.63 2qml n GLU 145 N 1.61 1.38 -1.67 0.00 -0.00 -1.26 -4.29 120.64 116.40 2qml n GLU 145 Ca -0.22 -3.66 -0.39 0.00 -0.00 0.00 0.00 57.16 52.89 2qml n GLU 145 Cb 0.56 -1.74 0.04 0.00 -0.00 0.00 0.00 31.44 30.30 2qml n GLU 145 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.13 176.78 2qml n PRO 146 N 0.41 1.33 -1.56 3.44 -0.04 -1.23 -4.37 135.00 132.99 2qml n PRO 146 Ca 0.26 0.50 -0.49 0.00 -0.04 0.00 0.00 63.50 63.72 2qml n PRO 146 Cb 0.58 -2.32 -0.04 0.00 -0.04 0.00 0.00 33.50 31.68 2qml n PRO 146 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2qml n ASP 147 N -0.60 1.00 0.27 3.54 -0.08 -1.26 -0.52 116.55 118.90 2qml n ASP 147 Ca 0.11 1.14 0.19 0.00 -1.51 0.00 0.00 54.79 54.72 2qml n ASP 147 Cb 0.44 -1.17 0.97 0.00 2.34 0.00 0.00 41.12 43.70 2qml n ASP 147 CO 0.00 0.00 0.00 0.08 0.12 0.00 0.00 177.20 177.40 2qml h ARG 148 N 3.03 0.00 0.00 -0.67 0.11 -1.09 -0.44 114.38 115.32 2qml h ARG 148 Ca -0.42 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.66 2qml h ARG 148 Cb 1.36 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.44 2qml h ARG 148 CO 0.68 0.00 -0.27 0.54 0.10 0.00 0.00 179.97 181.01 2qml n ARG 149 N -2.80 0.10 -2.36 0.08 1.74 -1.26 -4.55 116.66 107.61 2qml n ARG 149 Ca -0.02 0.05 -0.43 0.00 -0.77 0.00 0.00 57.85 56.68 2qml n ARG 149 Cb 0.08 -1.59 0.00 0.00 -1.02 0.00 0.00 32.46 29.94 2qml n ARG 149 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2qml n ASN 150 N -1.75 4.74 -0.34 0.55 2.85 -0.17 -4.78 115.26 116.36 2qml n ASN 150 Ca 0.06 -2.96 -0.00 0.00 -0.11 0.00 0.00 54.58 51.56 2qml n ASN 150 Cb 0.37 -1.62 0.16 0.00 1.24 0.00 0.00 39.78 39.94 2qml n ASN 150 CO 0.00 0.00 0.00 0.11 -2.11 0.00 0.00 177.26 175.26 2qml h LYS 151 N 6.56 1.20 0.00 1.20 1.79 -1.84 -1.36 116.57 124.12 2qml h LYS 151 Ca 0.44 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.84 2qml h LYS 151 Cb 0.74 -0.27 0.00 0.00 -1.58 0.00 0.00 32.23 31.12 2qml h LYS 151 CO 1.58 0.79 0.00 1.17 -1.08 0.00 0.00 179.45 181.91 2qml n LYS 152 N -4.42 0.00 0.00 3.15 0.00 -1.26 -0.98 118.16 114.65 2qml n LYS 152 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.43 2qml n LYS 152 Cb 0.06 -0.98 0.00 0.00 0.00 0.00 0.00 35.03 34.11 2qml n LYS 152 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 2qml n ILE 154 N 0.23 0.00 -0.05 3.15 5.41 -0.51 -1.34 119.36 126.25 2qml n ILE 154 Ca 0.00 0.00 -0.10 0.00 1.00 0.00 0.00 62.75 63.65 2qml n ILE 154 Cb 0.00 0.00 -0.03 0.00 -0.71 0.00 0.00 39.64 38.90 2qml n ILE 154 CO 0.00 0.00 0.00 -0.74 0.00 0.00 0.00 176.55 175.81 2qml h HIS 155 N 0.00 0.26 -0.11 1.39 2.76 -1.32 -0.68 115.15 117.46 2qml h HIS 155 Ca 0.00 0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.19 2qml h HIS 155 Cb 0.00 -0.09 -0.02 0.00 1.55 0.00 0.00 27.41 28.85 2qml h HIS 155 CO 0.00 0.17 -0.00 0.28 -1.30 0.00 0.00 177.93 177.07 2qml h VAL 156 N 0.29 0.92 -0.36 5.26 2.07 -1.47 -0.75 116.25 122.20 2qml h VAL 156 Ca 0.08 -0.01 0.04 0.00 0.82 0.00 0.00 66.70 67.63 2qml h VAL 156 Cb -0.03 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 30.59 2qml h VAL 156 CO -0.02 0.01 0.14 -0.26 0.02 0.00 0.00 177.57 177.45 2qml h PHE 157 N 0.04 0.25 -0.78 1.57 0.04 -1.80 -1.48 116.94 114.77 2qml h PHE 157 Ca 0.05 0.02 0.06 0.00 2.80 0.00 0.00 57.97 60.89 2qml h PHE 157 Cb 0.06 -0.06 -0.06 0.00 2.20 0.00 0.00 35.95 38.09 2qml h PHE 157 CO -0.13 0.11 0.47 0.87 -0.60 0.00 0.00 178.31 179.03 2qml h LYS 158 N 0.30 0.85 0.00 1.51 1.57 -0.71 -1.29 116.57 118.79 2qml h LYS 158 Ca 0.16 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.86 2qml h LYS 158 Cb 0.12 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.24 2qml h LYS 158 CO -0.15 0.56 -0.13 0.87 -0.57 0.00 0.00 179.45 180.03 2qml h LYS 159 N 0.87 0.00 -0.21 3.15 1.79 -0.44 -1.72 116.57 120.01 2qml h LYS 159 Ca 0.34 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.81 2qml h LYS 159 Cb 0.16 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.81 2qml h LYS 159 CO -0.17 0.13 0.00 0.00 -1.08 0.00 0.00 179.45 178.33 2qml n GLY 161 N 1.11 0.78 3.73 0.00 0.00 -0.65 -4.64 105.19 105.53 2qml n GLY 161 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 2qml n GLY 161 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qml s PHE 162 N -2.00 3.21 -0.17 1.61 0.40 -0.70 -4.60 117.98 115.74 2qml s PHE 162 Ca 0.00 1.13 -0.05 0.00 -0.60 0.00 0.00 56.93 57.41 2qml s PHE 162 Cb 0.00 -3.66 -0.03 0.00 0.51 0.00 0.00 43.02 39.84 2qml s PHE 162 CO 0.00 -2.13 0.00 -0.65 0.70 0.00 0.00 175.22 173.14 2qml s GLN 163 N 0.07 3.79 0.35 0.44 1.11 0.09 -4.06 119.66 121.45 2qml s GLN 163 Ca 0.59 -0.45 -0.28 0.00 0.01 0.00 0.00 55.36 55.23 2qml s GLN 163 Cb -0.38 -3.03 -0.09 0.00 -1.01 0.00 0.00 33.01 28.50 2qml s GLN 163 CO 0.38 0.26 1.24 -1.25 0.01 0.00 0.00 175.29 175.93 2qml s PRO 164 N 0.35 4.26 -0.06 2.91 0.04 -1.26 -1.30 135.00 139.94 2qml s PRO 164 Ca -0.01 2.06 -0.09 0.00 0.04 0.00 0.00 61.00 63.00 2qml s PRO 164 Cb -0.13 -2.94 -0.03 0.00 0.04 0.00 0.00 34.50 31.43 2qml s PRO 164 CO 0.02 -0.21 -0.17 0.28 0.04 0.00 0.00 177.00 176.95 2qml n VAL 165 N 0.57 1.11 -3.60 -0.36 0.31 0.74 -4.91 118.33 112.19 2qml n VAL 165 Ca 0.01 0.26 -0.03 0.00 -0.01 0.00 0.00 64.34 64.57 2qml n VAL 165 Cb 0.44 -1.91 -0.02 0.00 -0.91 0.00 0.00 33.84 31.44 2qml n VAL 165 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 2qml s LYS 166 N -2.24 0.43 0.54 5.55 -2.85 -1.20 -5.01 119.74 114.95 2qml s LYS 166 Ca -0.14 -0.19 -0.20 0.00 -1.00 0.00 0.00 55.97 54.45 2qml s LYS 166 Cb 0.02 0.18 -0.06 0.00 -2.06 0.00 0.00 37.83 35.91 2qml s LYS 166 CO 0.21 -0.19 1.13 -1.21 0.10 0.00 0.00 175.35 175.39 2qml s GLU 167 N -2.54 3.39 -0.11 1.78 2.02 -1.26 -0.57 118.70 121.41 2qml s GLU 167 Ca 0.10 1.61 0.00 0.00 0.02 0.00 0.00 54.97 56.70 2qml s GLU 167 Cb 0.00 -2.02 0.02 0.00 0.10 0.00 0.00 34.13 32.23 2qml s GLU 167 CO -0.05 -0.82 -0.10 0.14 0.02 0.00 0.00 175.26 174.45 2qml s VAL 168 N -1.77 1.17 -1.04 2.63 -7.23 0.05 -4.82 120.40 109.39 2qml s VAL 168 Ca 0.72 -0.39 -0.22 0.00 -1.81 0.00 0.00 61.98 60.28 2qml s VAL 168 Cb -0.24 -1.14 0.06 0.00 0.56 0.00 0.00 36.38 35.62 2qml s VAL 168 CO 0.27 0.39 1.45 -1.61 -0.31 0.00 0.00 175.10 175.28 2qml s GLU 169 N 1.51 3.63 0.45 4.82 0.41 -1.26 -0.78 118.70 127.48 2qml s GLU 169 Ca 0.02 -1.26 0.00 0.00 -0.41 0.00 0.00 54.97 53.33 2qml s GLU 169 Cb -0.13 -5.34 -0.00 0.00 -1.78 0.00 0.00 34.13 26.88 2qml s GLU 169 CO -0.07 -2.18 0.67 -0.51 -0.49 0.00 0.00 175.26 172.68 2qml s LEU 170 N 4.70 3.64 0.42 1.80 1.43 -0.34 -5.00 118.68 125.34 2qml s LEU 170 Ca 0.46 0.27 0.10 0.00 -1.03 0.00 0.00 54.13 53.93 2qml s LEU 170 Cb -0.00 -3.15 0.93 0.00 0.03 0.00 0.00 46.19 44.00 2qml s LEU 170 CO -0.08 -0.71 2.01 -0.65 0.23 0.00 0.00 176.35 177.15 2qml h PRO 171 N 0.40 0.49 -0.01 1.29 0.11 -2.02 -3.15 132.00 129.11 2qml h PRO 171 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2qml h PRO 171 Cb 1.25 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2qml h PRO 171 CO 0.57 0.32 -0.64 -0.40 -0.21 0.00 0.00 178.00 177.64 2qml n ASP 172 N -4.47 1.43 -3.66 -2.05 5.75 -1.26 -5.03 116.55 107.26 2qml n ASP 172 Ca 0.07 -1.22 -0.01 0.00 -0.01 0.00 0.00 54.79 53.63 2qml n ASP 172 Cb 0.23 0.72 -0.01 0.00 -1.03 0.00 0.00 41.12 41.03 2qml n ASP 172 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 2qml s LYS 173 N -2.51 0.67 -0.41 0.11 -2.85 -1.19 -5.08 119.74 108.48 2qml s LYS 173 Ca 0.12 -0.36 -0.16 0.00 -1.00 0.00 0.00 55.97 54.57 2qml s LYS 173 Cb 0.15 0.23 0.02 0.00 -2.06 0.00 0.00 37.83 36.17 2qml s LYS 173 CO 0.64 -0.31 0.35 0.42 0.10 0.00 0.00 175.35 176.55 2qml s ILE 174 N -2.73 5.19 0.47 3.79 1.01 -1.26 -1.20 121.20 126.47 2qml s ILE 174 Ca 0.13 -0.49 0.02 0.00 0.00 0.00 0.00 60.65 60.31 2qml s ILE 174 Cb 0.02 -3.96 0.01 0.00 0.01 0.00 0.00 42.46 38.54 2qml s ILE 174 CO -0.02 -0.33 0.68 -0.83 0.00 0.00 0.00 174.94 174.44 2qml s GLY 175 N 1.73 1.67 -0.37 6.18 0.00 0.04 -0.57 107.32 116.00 2qml s GLY 175 Ca 0.08 -1.21 -0.06 0.00 0.00 0.00 0.00 44.72 43.53 2qml s GLY 175 CO 0.11 -1.01 0.16 -2.27 0.00 0.00 0.00 173.10 170.09 2qml s LEU 176 N -4.57 4.65 0.94 0.66 2.96 0.32 -0.77 118.68 122.87 2qml s LEU 176 Ca 0.51 -1.37 -0.12 0.00 -0.22 0.00 0.00 54.13 52.94 2qml s LEU 176 Cb -0.10 -1.89 0.15 0.00 0.50 0.00 0.00 46.19 44.85 2qml s LEU 176 CO 0.37 -0.41 1.09 -0.22 -1.32 0.00 0.00 176.35 175.86 2qml s LEU 177 N 1.37 2.02 -0.28 -0.68 2.96 0.27 -3.56 118.68 120.77 2qml s LEU 177 Ca 0.01 1.40 -0.21 0.00 -0.22 0.00 0.00 54.13 55.10 2qml s LEU 177 Cb -0.21 -3.73 0.13 0.00 0.50 0.00 0.00 46.19 42.88 2qml s LEU 177 CO 0.01 -2.84 1.00 -0.54 -1.32 0.00 0.00 176.35 172.66 2qml s LYS 179 N -4.93 0.46 -0.23 1.98 1.02 -0.42 -0.18 119.74 117.44 2qml s LYS 179 Ca 0.64 0.65 0.00 0.00 0.02 0.00 0.00 55.97 57.28 2qml s LYS 179 Cb -0.18 0.17 0.03 0.00 -0.52 0.00 0.00 37.83 37.33 2qml s LYS 179 CO 0.57 -0.07 -0.12 0.00 -0.92 0.00 0.00 175.35 174.81 2qml s GLU 181 N 1.27 4.28 0.31 0.00 0.41 -1.26 -0.77 118.70 122.94 2qml s GLU 181 Ca 0.00 0.89 -0.01 0.00 -0.41 0.00 0.00 54.97 55.44 2qml s GLU 181 Cb -0.16 -2.95 0.50 0.00 -1.78 0.00 0.00 34.13 29.74 2qml s GLU 181 CO -0.07 0.43 1.96 0.37 -0.49 0.00 0.00 175.26 177.46 2qml h GLN 182 N 3.60 1.03 -0.83 1.61 4.15 -1.34 -1.54 115.11 121.80 2qml h GLN 182 Ca -0.48 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 58.86 2qml h GLN 182 Cb 1.20 -0.23 -0.04 0.00 0.21 0.00 0.00 27.48 28.62 2qml h GLN 182 CO 0.65 0.68 0.42 -2.95 -1.93 0.00 0.00 178.83 175.70 2qml h ASN 183 N 1.06 1.06 -0.11 -0.69 -1.07 -1.94 -0.47 115.58 113.41 2qml h ASN 183 Ca 0.32 -0.11 -0.04 0.00 0.07 0.00 0.00 56.30 56.54 2qml h ASN 183 Cb -0.02 -0.27 -0.00 0.00 -2.07 0.00 0.00 38.32 35.96 2qml h ASN 183 CO -0.09 0.87 -0.09 0.58 0.07 0.00 0.00 177.43 178.77 2qml h VAL 184 N 1.17 1.35 -0.38 6.14 2.07 -1.82 -3.05 116.25 121.73 2qml h VAL 184 Ca 0.29 -1.21 0.05 0.00 0.82 0.00 0.00 66.70 66.65 2qml h VAL 184 Cb 0.08 1.90 -0.05 0.00 -1.52 0.00 0.00 31.29 31.70 2qml h VAL 184 CO -0.04 0.35 0.11 0.15 0.02 0.00 0.00 177.57 178.15 2qml h PHE 185 N -0.13 0.19 -0.42 1.57 3.57 -0.87 -1.97 116.94 118.88 2qml h PHE 185 Ca 0.02 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 2qml h PHE 185 Cb 0.59 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.28 2qml h PHE 185 CO 0.08 0.06 0.12 0.93 -2.23 0.00 0.00 178.31 177.27 2qml h GLU 186 N 0.25 0.62 -0.32 1.11 4.39 -1.14 0.41 114.58 119.91 2qml h GLU 186 Ca 0.18 -0.10 -0.02 0.00 0.34 0.00 0.00 59.36 59.75 2qml h GLU 186 Cb 0.18 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 2qml h GLU 186 CO -0.21 0.56 0.11 -0.22 -1.16 0.00 0.00 179.01 178.09 2qml h LYS 187 N 0.61 0.49 -0.40 2.33 1.63 -1.36 -0.55 116.57 119.31 2qml h LYS 187 Ca 0.14 -0.10 -0.13 0.00 -0.85 0.00 0.00 60.65 59.72 2qml h LYS 187 Cb 0.21 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.75 2qml h LYS 187 CO -0.01 0.52 -0.25 0.00 -3.45 0.00 0.00 179.45 176.26 2qml h ARG 188 N 0.36 0.83 -0.48 1.90 2.47 -0.51 0.51 114.38 119.47 2qml h ARG 188 Ca 0.10 -0.36 -0.04 0.00 -1.26 0.00 0.00 59.98 58.42 2qml h ARG 188 Cb 0.23 -0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 28.50 2qml h ARG 188 CO -0.00 0.99 0.13 2.35 0.56 0.00 0.00 179.97 183.99 2qml h TRP 189 N 0.71 0.79 -0.02 3.04 7.01 -0.21 -0.85 115.95 126.42 2qml h TRP 189 Ca 0.09 -0.09 0.02 0.00 2.11 0.00 0.00 58.89 61.02 2qml h TRP 189 Cb 0.79 -0.22 -0.02 0.00 -2.10 0.00 0.00 29.16 27.61 2qml h TRP 189 CO 0.04 0.71 -0.08 1.03 -2.79 0.00 0.00 178.44 177.35 2qml h SER 190 N 0.64 -0.24 -0.48 2.65 0.87 -0.86 -1.82 113.55 114.31 2qml h SER 190 Ca 0.15 0.04 0.09 0.00 -1.23 0.00 0.00 61.79 60.84 2qml h SER 190 Cb 0.31 0.11 -0.07 0.00 -0.44 0.00 0.00 62.40 62.30 2qml h SER 190 CO -0.00 -0.12 0.06 0.44 -0.53 0.00 0.00 176.83 176.69 2qml h ASP 191 N -0.13 -0.07 0.03 6.23 3.32 -0.62 -2.60 116.42 122.58 2qml h ASP 191 Ca 0.04 0.10 0.02 0.00 0.02 0.00 0.00 57.03 57.21 2qml h ASP 191 Cb 0.18 0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.85 2qml h ASP 191 CO -0.10 -0.01 -0.20 -0.25 -1.72 0.00 0.00 179.24 176.96 2qml h TRP 192 N 0.19 -0.54 0.00 4.55 2.91 -0.90 0.21 115.95 122.37 2qml h TRP 192 Ca 0.24 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.28 2qml h TRP 192 Cb 0.34 0.23 0.00 0.00 -0.51 0.00 0.00 29.16 29.22 2qml h TRP 192 CO -0.25 -0.29 0.00 1.63 -1.03 0.00 0.00 178.44 178.50 2qml n LYS 193 N -5.33 0.44 -1.84 2.65 4.76 -0.71 -4.45 118.16 113.69 2qml n LYS 193 Ca -0.05 0.00 -0.02 0.00 -2.87 0.00 0.00 58.31 55.37 2qml n LYS 193 Cb 0.25 -1.28 0.02 0.00 -1.84 0.00 0.00 35.03 32.18 2qml n LYS 193 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2qml n ASN 195 N 1.59 -0.08 -1.23 4.39 4.13 -0.90 -4.97 115.26 118.19 2qml n ASN 195 Ca 0.00 -2.05 0.03 0.00 1.68 0.00 0.00 54.58 54.24 2qml n ASN 195 Cb 0.22 0.08 0.10 0.00 -1.54 0.00 0.00 39.78 38.64 2qml n ASN 195 CO 0.00 0.00 0.00 2.29 0.28 0.00 0.00 177.26 179.83 2qml n LYS 196 N -0.31 0.94 0.00 3.52 2.85 0.69 -5.15 118.16 120.70 2qml n LYS 196 Ca -0.10 -2.74 0.07 0.00 -1.05 0.00 0.00 58.31 54.49 2qml n LYS 196 Cb 0.88 -0.88 0.44 0.00 -0.65 0.00 0.00 35.03 34.82 2qml n LYS 196 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69