#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x9f s SER 8 N 3.99 2.22 0.27 0.00 1.04 -1.26 -4.80 113.70 115.15 1x9f s SER 8 Ca 0.34 1.19 -0.01 0.00 0.48 0.00 0.00 55.95 57.94 1x9f s SER 8 Cb -0.07 -1.86 0.37 0.00 0.10 0.00 0.00 66.02 64.56 1x9f s SER 8 CO -0.03 -3.39 1.77 0.22 0.98 0.00 0.00 173.24 172.79 1x9f h TYR 9 N -2.07 0.78 -0.30 5.02 3.20 -1.99 -1.43 116.97 120.18 1x9f h TYR 9 Ca -0.56 -0.11 -0.04 0.00 3.14 0.00 0.00 58.73 61.16 1x9f h TYR 9 Cb 1.34 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 39.38 1x9f h TYR 9 CO 0.22 0.74 0.02 0.93 -1.64 0.00 0.00 178.16 178.44 1x9f h GLU 10 N 0.69 0.52 -0.35 1.82 3.07 -1.99 -1.64 114.58 116.70 1x9f h GLU 10 Ca 0.13 -0.15 0.05 0.00 -0.50 0.00 0.00 59.36 58.89 1x9f h GLU 10 Cb 0.46 -0.05 -0.05 0.00 -0.84 0.00 0.00 28.75 28.27 1x9f h GLU 10 CO 0.02 0.64 0.07 -0.44 -1.40 0.00 0.00 179.01 177.90 1x9f h ASP 11 N 0.33 0.01 -0.77 1.42 3.32 -1.86 0.17 116.42 119.04 1x9f h ASP 11 Ca 0.09 0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 1x9f h ASP 11 Cb 0.39 0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.98 1x9f h ASP 11 CO 0.01 0.04 0.40 0.03 -1.72 0.00 0.00 179.24 178.01 1x9f h ARG 12 N 0.19 1.08 -0.61 3.56 3.08 -1.10 0.14 114.38 120.73 1x9f h ARG 12 Ca 0.17 -0.14 -0.09 0.00 0.07 0.00 0.00 59.98 59.99 1x9f h ARG 12 Cb 0.19 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 1x9f h ARG 12 CO -0.22 0.82 0.02 -0.09 -1.07 0.00 0.00 179.97 179.43 1x9f h ARG 13 N 1.07 1.06 -0.83 0.04 2.43 -1.04 -1.90 114.38 115.21 1x9f h ARG 13 Ca 0.27 -0.33 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 1x9f h ARG 13 Cb 0.06 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.47 1x9f h ARG 13 CO -0.04 1.02 0.49 0.93 -1.51 0.00 0.00 179.97 180.86 1x9f h GLU 14 N 0.96 1.13 -0.29 0.20 4.39 0.10 -2.60 114.58 118.48 1x9f h GLU 14 Ca 0.17 -0.11 -0.11 0.00 0.34 0.00 0.00 59.36 59.65 1x9f h GLU 14 Cb 0.53 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 1x9f h GLU 14 CO 0.03 0.80 -0.30 0.82 -1.16 0.00 0.00 179.01 179.20 1x9f h ILE 15 N 1.14 1.28 -0.54 3.13 2.04 -0.62 -2.46 117.51 121.48 1x9f h ILE 15 Ca 0.30 -1.40 0.05 0.00 1.00 0.00 0.00 64.86 64.81 1x9f h ILE 15 Cb -0.03 1.38 -0.05 0.00 -0.74 0.00 0.00 36.82 37.39 1x9f h ILE 15 CO -0.05 0.45 0.27 0.03 0.00 0.00 0.00 178.15 178.84 1x9f h ARG 16 N 0.51 0.50 1.01 2.37 3.08 -0.96 0.12 114.38 121.00 1x9f h ARG 16 Ca 0.06 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 60.03 1x9f h ARG 16 Cb 0.77 -0.11 0.01 0.00 0.08 0.00 0.00 29.97 30.72 1x9f h ARG 16 CO 0.06 0.33 -0.49 1.25 -1.07 0.00 0.00 179.97 180.05 1x9f h HIS 17 N 0.51 -1.27 -1.00 3.04 -0.00 -1.34 -2.90 115.15 112.19 1x9f h HIS 17 Ca 0.24 -0.03 0.17 0.00 -0.00 0.00 0.00 60.37 60.76 1x9f h HIS 17 Cb 0.17 0.42 -0.17 0.00 -0.00 0.00 0.00 27.41 27.83 1x9f h HIS 17 CO -0.11 -0.79 -0.33 0.82 -0.00 0.00 0.00 177.93 177.53 1x9f h ILE 18 N -1.36 0.00 -0.48 6.26 1.08 -1.30 -2.12 117.51 119.59 1x9f h ILE 18 Ca -0.14 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.36 1x9f h ILE 18 Cb 1.05 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 34.77 1x9f h ILE 18 CO 0.22 0.00 0.32 -0.25 -0.69 0.00 0.00 178.15 177.75 1x9f h TRP 19 N -0.00 0.54 -0.26 1.37 2.91 -0.57 0.09 115.95 120.03 1x9f h TRP 19 Ca 0.41 0.01 0.07 0.00 1.13 0.00 0.00 58.89 60.51 1x9f h TRP 19 Cb 0.66 -0.18 -0.01 0.00 -0.51 0.00 0.00 29.16 29.12 1x9f h TRP 19 CO -0.83 0.32 0.28 -0.44 -1.03 0.00 0.00 178.44 176.75 1x9f h ASP 20 N 0.57 0.00 0.37 2.65 3.45 -1.20 -1.72 116.42 120.55 1x9f h ASP 20 Ca 0.19 0.00 -0.29 0.00 0.43 0.00 0.00 57.03 57.36 1x9f h ASP 20 Cb 0.06 0.00 -0.05 0.00 -0.56 0.00 0.00 39.33 38.77 1x9f h ASP 20 CO -0.05 0.00 -1.86 0.47 -1.57 0.00 0.00 179.24 176.23 1x9f n ASP 21 N -3.77 0.61 0.11 6.45 9.92 0.01 -4.03 116.55 125.84 1x9f n ASP 21 Ca 0.03 0.29 -0.23 0.00 -0.53 0.00 0.00 54.79 54.35 1x9f n ASP 21 Cb 0.42 0.32 -0.15 0.00 -0.64 0.00 0.00 41.12 41.07 1x9f n ASP 21 CO 0.00 0.00 0.00 -0.37 0.13 0.00 0.00 177.20 176.96 1x9f h VAL 22 N 0.00 1.11 -2.78 2.53 -1.51 -1.49 -3.39 116.25 110.73 1x9f h VAL 22 Ca -0.33 -2.63 -0.81 0.00 -1.23 0.00 0.00 66.70 61.70 1x9f h VAL 22 Cb 1.99 2.89 -0.27 0.00 -2.13 0.00 0.00 31.29 33.76 1x9f h VAL 22 CO 0.06 0.84 0.87 1.87 -1.23 0.00 0.00 177.57 179.98 1x9f n TRP 23 N -3.63 2.29 0.00 5.19 -0.00 -0.66 -4.79 117.44 115.84 1x9f n TRP 23 Ca -0.20 -2.57 0.00 0.00 -0.00 0.00 0.00 57.50 54.73 1x9f n TRP 23 Cb 1.09 -1.28 0.00 0.00 -0.00 0.00 0.00 31.31 31.12 1x9f n TRP 23 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 177.69 178.14 1x9f n SER 24 N 1.29 0.00 0.00 5.87 2.88 -1.26 -4.75 113.62 117.66 1x9f n SER 24 Ca 0.29 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.83 1x9f n SER 24 Cb 0.32 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.78 1x9f n SER 24 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1x9f n SER 25 N 0.00 0.00 -1.46 -3.46 3.41 -1.26 -4.80 113.62 106.05 1x9f n SER 25 Ca 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.52 1x9f n SER 25 Cb 0.00 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.02 1x9f n SER 25 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1x9f n SER 26 N 0.00 3.27 -4.68 4.04 3.41 -1.26 -4.82 113.62 113.59 1x9f n SER 26 Ca 0.00 -2.61 -0.24 0.00 -0.26 0.00 0.00 58.87 55.76 1x9f n SER 26 Cb 0.00 -0.63 -0.08 0.00 -0.26 0.00 0.00 64.21 63.25 1x9f n SER 26 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1x9f s PHE 27 N -1.27 2.61 -0.16 7.33 0.40 -1.26 -5.08 117.98 120.55 1x9f s PHE 27 Ca 0.22 -0.42 0.22 0.00 -0.60 0.00 0.00 56.93 56.35 1x9f s PHE 27 Cb 0.18 -1.57 -0.13 0.00 0.51 0.00 0.00 43.02 42.01 1x9f s PHE 27 CO 0.04 0.41 0.83 0.25 0.70 0.00 0.00 175.22 177.45 1x9f n THR 28 N -1.04 0.42 -0.38 0.64 -2.24 -1.26 -4.60 114.28 105.82 1x9f n THR 28 Ca -0.04 -0.54 -0.02 0.00 -2.27 0.00 0.00 64.05 61.19 1x9f n THR 28 Cb 0.62 -0.23 0.03 0.00 -2.10 0.00 0.00 70.33 68.65 1x9f n THR 28 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1x9f n ASP 29 N -2.53 -0.66 -0.17 3.42 8.00 -1.26 0.17 116.55 123.51 1x9f n ASP 29 Ca -0.02 1.72 -0.09 0.00 0.71 0.00 0.00 54.79 57.11 1x9f n ASP 29 Cb 0.57 -0.38 0.01 0.00 -0.02 0.00 0.00 41.12 41.29 1x9f n ASP 29 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 1x9f h ARG 30 N 0.00 0.78 0.12 -1.24 2.43 -1.96 -1.72 114.38 112.79 1x9f h ARG 30 Ca 0.33 -0.18 -0.27 0.00 -0.81 0.00 0.00 59.98 59.06 1x9f h ARG 30 Cb 0.58 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 1x9f h ARG 30 CO -0.97 0.74 -1.22 0.07 -1.51 0.00 0.00 179.97 177.07 1x9f h ARG 31 N 0.68 0.25 -0.37 0.20 0.11 -1.32 -2.22 114.38 111.71 1x9f h ARG 31 Ca 0.16 -0.43 0.08 0.00 0.10 0.00 0.00 59.98 59.89 1x9f h ARG 31 Cb 0.30 0.16 -0.08 0.00 1.11 0.00 0.00 29.97 31.46 1x9f h ARG 31 CO -0.00 1.20 -0.17 0.28 0.10 0.00 0.00 179.97 181.38 1x9f h VAL 32 N 0.07 0.47 -0.34 0.08 2.07 0.18 -3.07 116.25 115.70 1x9f h VAL 32 Ca -0.12 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.24 1x9f h VAL 32 Cb 1.96 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 32.19 1x9f h VAL 32 CO 0.20 0.00 -0.40 0.00 0.02 0.00 0.00 177.57 177.39 1x9f h ALA 33 N 1.17 0.65 0.15 1.67 0.00 -1.21 0.01 119.26 121.70 1x9f h ALA 33 Ca 0.18 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1x9f h ALA 33 Cb 0.39 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1x9f h ALA 33 CO -0.44 0.67 -0.07 0.82 0.00 0.00 0.00 179.25 180.23 1x9f h ILE 34 N 0.68 0.98 -0.46 0.00 2.04 -1.51 -1.51 117.51 117.72 1x9f h ILE 34 Ca 0.05 -0.59 -0.06 0.00 1.00 0.00 0.00 64.86 65.26 1x9f h ILE 34 Cb 0.97 1.34 -0.02 0.00 -0.74 0.00 0.00 36.82 38.37 1x9f h ILE 34 CO 0.09 0.14 0.05 0.58 0.00 0.00 0.00 178.15 179.01 1x9f h VAL 35 N -0.49 1.22 -0.36 1.67 2.07 -1.54 -0.07 116.25 118.75 1x9f h VAL 35 Ca -0.02 -0.87 0.05 0.00 0.82 0.00 0.00 66.70 66.68 1x9f h VAL 35 Cb 0.38 0.83 -0.05 0.00 -1.52 0.00 0.00 31.29 30.93 1x9f h VAL 35 CO 0.03 0.31 0.08 -0.09 0.02 0.00 0.00 177.57 177.92 1x9f h ARG 36 N 0.69 0.20 -0.63 1.57 2.43 -0.97 -0.75 114.38 116.91 1x9f h ARG 36 Ca 0.14 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.27 1x9f h ARG 36 Cb 0.36 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.83 1x9f h ARG 36 CO 0.01 0.13 0.25 0.00 -1.51 0.00 0.00 179.97 178.84 1x9f h ALA 37 N 1.27 0.81 -0.45 2.80 0.00 -0.25 0.50 119.26 123.94 1x9f h ALA 37 Ca 0.17 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 54.97 1x9f h ALA 37 Cb 0.19 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 17.68 1x9f h ALA 37 CO -0.22 0.44 0.13 0.28 0.00 0.00 0.00 179.25 179.87 1x9f h VAL 38 N 0.88 0.81 -0.40 0.00 2.07 -0.69 -0.48 116.25 118.44 1x9f h VAL 38 Ca 0.21 -0.09 -0.12 0.00 0.82 0.00 0.00 66.70 67.52 1x9f h VAL 38 Cb 0.21 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 1x9f h VAL 38 CO -0.02 0.05 -0.21 -0.26 0.02 0.00 0.00 177.57 177.16 1x9f h PHE 39 N 0.28 0.98 -0.68 1.57 0.04 -0.81 -0.90 116.94 117.42 1x9f h PHE 39 Ca 0.22 -0.25 0.11 0.00 2.80 0.00 0.00 57.97 60.85 1x9f h PHE 39 Cb 0.25 -0.22 -0.08 0.00 2.20 0.00 0.00 35.95 38.09 1x9f h PHE 39 CO -0.18 1.02 0.28 -0.44 -0.60 0.00 0.00 178.31 178.38 1x9f h ASP 40 N 0.66 0.29 -0.21 2.17 3.32 -0.55 0.20 116.42 122.29 1x9f h ASP 40 Ca 0.09 0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.23 1x9f h ASP 40 Cb 0.77 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.36 1x9f h ASP 40 CO 0.06 0.15 0.13 -0.78 -1.72 0.00 0.00 179.24 177.08 1x9f h ASP 41 N 0.46 0.23 -0.44 6.45 1.82 -0.81 -0.60 116.42 123.53 1x9f h ASP 41 Ca 0.35 -0.00 0.06 0.00 -0.39 0.00 0.00 57.03 57.05 1x9f h ASP 41 Cb 0.46 -0.05 -0.05 0.00 0.68 0.00 0.00 39.33 40.36 1x9f h ASP 41 CO -0.33 0.17 0.14 0.25 -1.61 0.00 0.00 179.24 177.86 1x9f h LEU 42 N 0.27 0.13 -1.13 2.28 5.85 0.03 -1.96 115.31 120.78 1x9f h LEU 42 Ca 0.08 0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.77 1x9f h LEU 42 Cb -0.02 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 1x9f h LEU 42 CO -0.02 0.11 -0.39 -0.26 -0.34 0.00 0.00 178.44 177.53 1x9f h PHE 43 N 0.31 0.00 -0.36 1.25 0.04 -0.35 0.19 116.94 118.01 1x9f h PHE 43 Ca 0.21 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.86 1x9f h PHE 43 Cb 0.22 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.36 1x9f h PHE 43 CO -0.17 0.39 -0.28 -0.22 -0.60 0.00 0.00 178.31 177.44 1x9f h LYS 44 N 0.00 0.75 0.00 1.51 3.64 -0.53 -2.83 116.57 119.12 1x9f h LYS 44 Ca -0.00 -0.33 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 1x9f h LYS 44 Cb 0.78 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.58 1x9f h LYS 44 CO 0.05 0.94 -1.67 0.72 -2.27 0.00 0.00 179.45 177.23 1x9f n HIS 45 N -4.09 0.29 -3.22 1.91 8.25 -0.79 -4.59 115.22 112.98 1x9f n HIS 45 Ca -0.01 0.08 -0.23 0.00 -0.26 0.00 0.00 57.72 57.31 1x9f n HIS 45 Cb 0.46 -0.63 -0.07 0.00 1.12 0.00 0.00 29.99 30.88 1x9f n HIS 45 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1x9f n TYR 46 N -2.36 -0.91 0.28 4.41 4.02 0.62 -5.01 117.16 118.21 1x9f n TYR 46 Ca -0.03 -3.26 0.14 0.00 -0.01 0.00 0.00 57.90 54.74 1x9f n TYR 46 Cb 0.56 0.07 0.82 0.00 -0.02 0.00 0.00 39.34 40.76 1x9f n TYR 46 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1x9f h PRO 47 N 4.63 0.00 0.00 -0.72 0.13 -1.70 -1.64 132.00 132.71 1x9f h PRO 47 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1x9f h PRO 47 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 1x9f h PRO 47 CO 0.40 0.07 0.00 0.25 -0.23 0.00 0.00 178.00 178.50 1x9f n THR 48 N -3.61 1.00 0.15 1.56 -2.24 -1.26 -2.39 114.28 107.49 1x9f n THR 48 Ca -0.02 0.32 0.02 0.00 -2.27 0.00 0.00 64.05 62.10 1x9f n THR 48 Cb 0.19 -1.21 0.21 0.00 -2.10 0.00 0.00 70.33 67.41 1x9f n THR 48 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1x9f h SER 49 N 0.00 0.00 -0.48 3.42 4.64 -1.66 -3.22 113.55 116.25 1x9f h SER 49 Ca 0.00 0.00 0.14 0.00 -0.47 0.00 0.00 61.79 61.46 1x9f h SER 49 Cb 0.26 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.33 1x9f h SER 49 CO 0.00 0.53 0.39 0.50 -0.87 0.00 0.00 176.83 177.38 1x9f h LYS 50 N 0.00 0.00 0.00 4.77 3.64 -1.65 -1.85 116.57 121.48 1x9f h LYS 50 Ca -0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1x9f h LYS 50 Cb 1.09 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.91 1x9f h LYS 50 CO 0.07 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 177.25 1x9f h ALA 51 N 1.67 1.00 0.00 5.00 0.00 -1.77 -2.99 119.26 122.17 1x9f h ALA 51 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1x9f h ALA 51 Cb 1.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1x9f h ALA 51 CO -0.00 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.53 1x9f n LEU 52 N -2.79 0.00 -0.80 0.00 4.77 -0.69 -3.74 117.00 113.75 1x9f n LEU 52 Ca 0.02 0.44 0.06 0.00 -0.03 0.00 0.00 56.01 56.50 1x9f n LEU 52 Cb 0.32 -0.44 0.23 0.00 -2.33 0.00 0.00 43.42 41.19 1x9f n LEU 52 CO 0.26 -0.18 0.68 0.49 -1.33 0.00 0.00 177.39 177.31 1x9f n PHE 53 N -1.44 0.80 0.11 -1.77 3.01 -1.13 -4.66 117.46 112.38 1x9f n PHE 53 Ca 0.05 -1.05 -0.03 0.00 1.01 0.00 0.00 57.45 57.44 1x9f n PHE 53 Cb 0.18 -0.32 0.17 0.00 -0.01 0.00 0.00 39.48 39.50 1x9f n PHE 53 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1x9f h GLU 54 N 1.32 0.15 -0.13 -1.08 5.08 -1.78 -2.71 114.58 115.43 1x9f h GLU 54 Ca 0.04 -0.09 -0.08 0.00 -1.00 0.00 0.00 59.36 58.23 1x9f h GLU 54 Cb 1.41 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.66 1x9f h GLU 54 CO 0.22 0.67 -0.27 -0.09 -1.00 0.00 0.00 179.01 178.53 1x9f h ARG 55 N 0.11 0.23 -0.63 2.33 1.12 -1.90 -1.85 114.38 113.80 1x9f h ARG 55 Ca -0.00 -0.08 0.00 0.00 -1.11 0.00 0.00 59.98 58.79 1x9f h ARG 55 Cb 1.02 -0.02 0.00 0.00 -0.01 0.00 0.00 29.97 30.96 1x9f h ARG 55 CO 0.08 0.49 0.00 1.33 -3.11 0.00 0.00 179.97 178.76 1x9f n VAL 56 N -4.15 1.38 -3.11 0.20 0.24 -1.13 -5.00 118.33 106.77 1x9f n VAL 56 Ca -0.01 -0.95 -0.13 0.00 -2.04 0.00 0.00 64.34 61.20 1x9f n VAL 56 Cb 0.37 0.13 0.07 0.00 -1.47 0.00 0.00 33.84 32.95 1x9f n VAL 56 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1x9f n LYS 57 N 1.00 -4.91 0.06 7.34 5.02 -0.69 -2.53 118.16 123.45 1x9f n LYS 57 Ca 0.22 0.68 0.19 0.00 -2.02 0.00 0.00 58.31 57.37 1x9f n LYS 57 Cb 0.72 -5.15 0.71 0.00 -0.02 0.00 0.00 35.03 31.28 1x9f n LYS 57 CO 0.00 0.00 0.00 -0.84 -0.52 0.00 0.00 177.40 176.04 1x9f h ILE 58 N -1.44 0.68 -0.05 -0.18 3.07 -1.72 0.04 117.51 117.91 1x9f h ILE 58 Ca -0.47 0.00 0.01 0.00 1.55 0.00 0.00 64.86 65.95 1x9f h ILE 58 Cb 1.27 0.76 -0.00 0.00 -0.27 0.00 0.00 36.82 38.57 1x9f h ILE 58 CO 0.39 0.00 0.08 -2.24 -1.05 0.00 0.00 178.15 175.33 1x9f h ASP 59 N 0.00 0.00 -2.54 2.16 2.03 -1.90 -3.08 116.42 113.09 1x9f h ASP 59 Ca 0.21 0.00 -0.60 0.00 -0.73 0.00 0.00 57.03 55.90 1x9f h ASP 59 Cb 0.88 0.00 -0.41 0.00 -0.83 0.00 0.00 39.33 38.97 1x9f h ASP 59 CO -0.00 0.00 -0.69 -0.62 -1.03 0.00 0.00 179.24 176.90 1x9f n GLU 60 N -3.62 1.77 0.07 4.15 1.02 0.00 -4.98 120.64 119.05 1x9f n GLU 60 Ca -0.02 -4.26 0.06 0.00 -0.02 0.00 0.00 57.16 52.92 1x9f n GLU 60 Cb 0.16 -2.08 0.30 0.00 -0.02 0.00 0.00 31.44 29.80 1x9f n GLU 60 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1x9f n PRO 61 N 1.58 0.07 -0.36 3.49 -0.04 -1.17 -0.83 135.00 137.75 1x9f n PRO 61 Ca 0.25 0.50 0.07 0.00 -0.04 0.00 0.00 63.50 64.29 1x9f n PRO 61 Cb 0.41 -1.70 0.23 0.00 -0.04 0.00 0.00 33.50 32.40 1x9f n PRO 61 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1x9f n GLU 62 N -1.84 3.01 0.21 0.54 -0.58 -1.26 -4.57 120.64 116.15 1x9f n GLU 62 Ca 0.00 -2.54 0.07 0.00 -0.42 0.00 0.00 57.16 54.27 1x9f n GLU 62 Cb 0.06 -1.63 0.42 0.00 -0.57 0.00 0.00 31.44 29.72 1x9f n GLU 62 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1x9f h SER 63 N 2.11 0.00 0.00 1.62 4.64 -1.31 -3.47 113.55 117.14 1x9f h SER 63 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1x9f h SER 63 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1x9f h SER 63 CO 0.14 0.31 0.00 0.61 -0.87 0.00 0.00 176.83 177.02 1x9f n GLY 64 N 0.02 2.97 0.32 -0.77 0.00 -1.26 -4.71 105.19 101.75 1x9f n GLY 64 Ca -0.01 -0.78 -0.05 0.00 0.00 0.00 0.00 46.02 45.19 1x9f n GLY 64 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1x9f h GLU 65 N 0.00 1.00 -0.11 1.61 9.09 -1.92 0.29 114.58 124.54 1x9f h GLU 65 Ca 0.00 -0.22 -0.24 0.00 0.05 0.00 0.00 59.36 58.95 1x9f h GLU 65 Cb 0.00 -0.14 0.01 0.00 -1.65 0.00 0.00 28.75 26.97 1x9f h GLU 65 CO 0.00 0.88 -0.86 0.35 0.05 0.00 0.00 179.01 179.43 1x9f h PHE 66 N 0.95 1.07 -0.45 2.06 3.57 -1.75 -2.47 116.94 119.93 1x9f h PHE 66 Ca 0.20 -0.50 -0.10 0.00 3.53 0.00 0.00 57.97 61.10 1x9f h PHE 66 Cb 0.33 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 1x9f h PHE 66 CO 0.02 1.34 -0.10 0.87 -2.23 0.00 0.00 178.31 178.21 1x9f h LYS 67 N 0.50 0.87 -0.48 1.11 1.57 -1.79 -1.49 116.57 116.86 1x9f h LYS 67 Ca -0.08 -0.33 -0.03 0.00 -1.87 0.00 0.00 60.65 58.35 1x9f h LYS 67 Cb 1.49 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.73 1x9f h LYS 67 CO 0.17 0.97 0.18 0.66 -0.57 0.00 0.00 179.45 180.86 1x9f h SER 68 N 0.70 0.63 -0.81 0.86 4.64 -0.48 -0.45 113.55 118.65 1x9f h SER 68 Ca 0.12 -0.08 -0.03 0.00 -0.47 0.00 0.00 61.79 61.33 1x9f h SER 68 Cb 0.64 -0.16 -0.04 0.00 -0.31 0.00 0.00 62.40 62.53 1x9f h SER 68 CO 0.04 0.58 0.38 -0.74 -0.87 0.00 0.00 176.83 176.23 1x9f h HIS 69 N 0.69 1.17 -0.72 4.77 -0.00 -1.11 0.18 115.15 120.13 1x9f h HIS 69 Ca 0.17 -0.06 -0.02 0.00 -0.00 0.00 0.00 60.37 60.45 1x9f h HIS 69 Cb 0.16 -0.36 -0.03 0.00 -0.00 0.00 0.00 27.41 27.18 1x9f h HIS 69 CO 0.01 0.85 0.36 -0.07 -0.00 0.00 0.00 177.93 179.07 1x9f h LEU 70 N 1.14 0.94 -0.69 0.26 3.38 -0.13 -1.81 115.31 118.40 1x9f h LEU 70 Ca 0.28 -0.13 -0.09 0.00 0.09 0.00 0.00 57.88 58.03 1x9f h LEU 70 Cb 0.13 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1x9f h LEU 70 CO -0.03 0.80 0.03 0.58 0.09 0.00 0.00 178.44 179.91 1x9f h VAL 71 N 1.01 1.26 -1.00 1.22 2.07 -0.76 -0.69 116.25 119.37 1x9f h VAL 71 Ca 0.25 -1.10 0.05 0.00 0.82 0.00 0.00 66.70 66.71 1x9f h VAL 71 Cb 0.10 0.75 -0.06 0.00 -1.52 0.00 0.00 31.29 30.57 1x9f h VAL 71 CO -0.03 0.40 0.65 0.03 0.02 0.00 0.00 177.57 178.64 1x9f h ARG 72 N 0.97 1.19 -0.21 1.57 3.08 -0.08 0.34 114.38 121.23 1x9f h ARG 72 Ca 0.18 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 60.11 1x9f h ARG 72 Cb 0.51 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 1x9f h ARG 72 CO 0.02 0.79 -0.06 0.28 -1.07 0.00 0.00 179.97 179.93 1x9f h VAL 73 N 1.22 1.29 0.25 2.04 2.07 -1.07 0.66 116.25 122.71 1x9f h VAL 73 Ca 0.41 -1.05 0.01 0.00 0.82 0.00 0.00 66.70 66.88 1x9f h VAL 73 Cb 0.07 1.55 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 1x9f h VAL 73 CO -0.14 0.32 -0.38 0.00 0.02 0.00 0.00 177.57 177.39 1x9f h ALA 74 N 0.74 -0.74 -0.14 1.67 0.00 -0.49 0.03 119.26 120.33 1x9f h ALA 74 Ca 0.05 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1x9f h ALA 74 Cb 0.51 0.59 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1x9f h ALA 74 CO 0.02 -0.97 -0.02 -0.91 0.00 0.00 0.00 179.25 177.37 1x9f h ASN 75 N -0.69 0.18 -0.09 0.00 4.21 -0.33 0.11 115.58 118.97 1x9f h ASN 75 Ca -0.00 -0.02 -0.00 0.00 1.21 0.00 0.00 56.30 57.49 1x9f h ASN 75 Cb 0.67 -0.05 -0.00 0.00 -1.12 0.00 0.00 38.32 37.82 1x9f h ASN 75 CO -0.14 0.24 0.05 1.23 -1.29 0.00 0.00 177.43 177.52 1x9f h GLY 76 N 0.47 0.13 0.99 2.83 0.00 -0.22 0.32 103.07 107.60 1x9f h GLY 76 Ca 0.05 -0.06 -0.02 0.00 0.00 0.00 0.00 47.33 47.30 1x9f h GLY 76 CO 0.01 0.06 0.29 -2.00 0.00 0.00 0.00 176.54 174.89 1x9f h LEU 77 N 0.08 0.76 -1.18 3.11 5.85 -0.25 -1.67 115.31 122.02 1x9f h LEU 77 Ca 0.03 -0.12 0.07 0.00 0.84 0.00 0.00 57.88 58.70 1x9f h LEU 77 Cb 0.04 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 40.82 1x9f h LEU 77 CO -0.01 0.67 0.57 0.50 -0.34 0.00 0.00 178.44 179.84 1x9f h LYS 78 N 0.80 0.96 0.09 1.25 1.63 -0.50 -0.00 116.57 120.80 1x9f h LYS 78 Ca 0.20 -0.06 -0.00 0.00 -0.85 0.00 0.00 60.65 59.94 1x9f h LYS 78 Cb 0.10 -0.22 0.00 0.00 -0.60 0.00 0.00 32.23 31.51 1x9f h LYS 78 CO -0.03 0.63 -0.04 1.25 -3.45 0.00 0.00 179.45 177.81 1x9f h LEU 79 N 0.99 -0.11 -0.41 5.20 6.46 0.07 -1.56 115.31 125.96 1x9f h LEU 79 Ca 0.38 -0.07 0.06 0.00 -0.12 0.00 0.00 57.88 58.14 1x9f h LEU 79 Cb 0.21 0.03 -0.06 0.00 -0.73 0.00 0.00 40.66 40.11 1x9f h LEU 79 CO -0.14 -0.00 0.08 -0.07 -0.62 0.00 0.00 178.44 177.69 1x9f h LEU 80 N -0.21 -0.00 -0.41 2.25 3.38 -0.60 -2.28 115.31 117.44 1x9f h LEU 80 Ca -0.01 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1x9f h LEU 80 Cb 0.17 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1x9f h LEU 80 CO 0.02 0.03 0.25 0.40 0.09 0.00 0.00 178.44 179.24 1x9f h ILE 81 N 0.20 1.13 0.00 1.22 1.08 -0.95 -1.59 117.51 118.62 1x9f h ILE 81 Ca 0.20 -0.30 0.00 0.00 -0.39 0.00 0.00 64.86 64.37 1x9f h ILE 81 Cb 0.24 0.59 0.00 0.00 -3.07 0.00 0.00 36.82 34.58 1x9f h ILE 81 CO -0.27 0.13 0.00 0.59 -0.69 0.00 0.00 178.15 177.92 1x9f n ASN 82 N -4.76 0.00 -0.10 1.72 3.02 -0.59 -1.81 115.26 112.74 1x9f n ASN 82 Ca 0.01 -1.00 0.03 0.00 -0.03 0.00 0.00 54.58 53.58 1x9f n ASN 82 Cb 0.05 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.22 1x9f n ASN 82 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1x9f n LEU 83 N -0.66 0.77 0.08 3.41 4.32 -0.62 -4.64 117.00 119.65 1x9f n LEU 83 Ca 0.05 -0.72 0.05 0.00 -0.02 0.00 0.00 56.01 55.37 1x9f n LEU 83 Cb 0.02 0.00 0.25 0.00 -1.62 0.00 0.00 43.42 42.08 1x9f n LEU 83 CO 0.04 0.17 0.65 0.18 -1.22 0.00 0.00 177.39 177.20 1x9f n LEU 84 N -0.50 0.24 -0.32 2.23 4.77 -0.75 -0.34 117.00 122.33 1x9f n LEU 84 Ca 0.02 0.58 0.04 0.00 -0.03 0.00 0.00 56.01 56.61 1x9f n LEU 84 Cb 0.10 -0.60 0.05 0.00 -2.33 0.00 0.00 43.42 40.64 1x9f n LEU 84 CO 0.07 -0.66 0.42 -0.67 -1.33 0.00 0.00 177.39 175.22 1x9f n ASP 85 N -1.81 1.87 -3.52 -1.43 4.64 -1.26 -4.65 116.55 110.39 1x9f n ASP 85 Ca -0.01 -1.49 -0.27 0.00 -1.38 0.00 0.00 54.79 51.64 1x9f n ASP 85 Cb 0.07 -0.04 -0.09 0.00 -1.04 0.00 0.00 41.12 40.02 1x9f n ASP 85 CO 0.00 0.00 0.00 0.47 -0.82 0.00 0.00 177.20 176.85 1x9f n ASP 86 N 0.33 2.39 0.10 1.67 9.92 0.54 -5.00 116.55 126.50 1x9f n ASP 86 Ca 0.05 -3.11 0.07 0.00 -0.53 0.00 0.00 54.79 51.27 1x9f n ASP 86 Cb 0.23 -0.68 0.54 0.00 -0.64 0.00 0.00 41.12 40.57 1x9f n ASP 86 CO 0.00 0.00 0.00 0.71 0.13 0.00 0.00 177.20 178.04 1x9f h THR 87 N 3.51 1.02 -0.06 -3.53 1.35 -1.83 0.37 112.91 113.73 1x9f h THR 87 Ca 0.17 -0.09 -0.17 0.00 -0.55 0.00 0.00 66.41 65.77 1x9f h THR 87 Cb 0.76 0.72 0.01 0.00 -1.73 0.00 0.00 68.15 67.91 1x9f h THR 87 CO 0.68 0.05 -0.62 -0.07 -0.25 0.00 0.00 175.52 175.31 1x9f h LEU 88 N 0.27 0.66 -0.71 3.87 3.38 -1.94 0.53 115.31 121.38 1x9f h LEU 88 Ca 0.10 -0.69 0.03 0.00 0.09 0.00 0.00 57.88 57.42 1x9f h LEU 88 Cb 0.08 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.59 1x9f h LEU 88 CO -0.02 1.25 0.44 0.58 0.09 0.00 0.00 178.44 180.78 1x9f h VAL 89 N 0.12 1.09 -0.00 1.22 2.07 -1.80 -2.20 116.25 116.75 1x9f h VAL 89 Ca -0.06 -0.29 0.02 0.00 0.82 0.00 0.00 66.70 67.19 1x9f h VAL 89 Cb 1.29 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 1x9f h VAL 89 CO 0.13 0.16 -0.14 0.25 0.02 0.00 0.00 177.57 177.98 1x9f h LEU 90 N 0.86 -0.41 -0.60 2.57 5.85 -0.82 0.67 115.31 123.42 1x9f h LEU 90 Ca 0.29 0.06 0.11 0.00 0.84 0.00 0.00 57.88 59.18 1x9f h LEU 90 Cb 0.03 0.17 -0.09 0.00 0.37 0.00 0.00 40.66 41.15 1x9f h LEU 90 CO -0.11 -0.20 0.12 -0.61 -0.34 0.00 0.00 178.44 177.30 1x9f h GLN 91 N -0.24 0.24 0.44 1.25 4.15 -0.68 0.42 115.11 120.70 1x9f h GLN 91 Ca 0.05 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.43 1x9f h GLN 91 Cb 0.30 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.94 1x9f h GLN 91 CO -0.14 0.16 -0.21 1.03 -1.93 0.00 0.00 178.83 177.74 1x9f h SER 92 N 0.25 -0.50 -0.80 -0.69 0.87 -0.94 -3.09 113.55 108.65 1x9f h SER 92 Ca 0.32 -0.08 0.08 0.00 -1.23 0.00 0.00 61.79 60.87 1x9f h SER 92 Cb 0.47 0.13 -0.05 0.00 -0.44 0.00 0.00 62.40 62.51 1x9f h SER 92 CO -0.41 -0.19 0.52 -0.74 -0.53 0.00 0.00 176.83 175.48 1x9f h HIS 93 N -0.83 0.83 -0.88 2.24 -0.00 -0.56 -1.72 115.15 114.24 1x9f h HIS 93 Ca -0.06 0.02 0.05 0.00 -0.00 0.00 0.00 60.37 60.38 1x9f h HIS 93 Cb 0.56 -0.27 -0.05 0.00 -0.00 0.00 0.00 27.41 27.64 1x9f h HIS 93 CO 0.00 0.41 0.57 1.25 -0.00 0.00 0.00 177.93 180.17 1x9f h LEU 94 N 0.80 0.90 -0.94 0.26 5.85 -0.88 0.66 115.31 121.97 1x9f h LEU 94 Ca 0.36 -0.00 -0.05 0.00 0.84 0.00 0.00 57.88 59.03 1x9f h LEU 94 Cb 0.35 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 1x9f h LEU 94 CO -0.13 0.60 0.24 1.23 -0.34 0.00 0.00 178.44 180.03 1x9f h GLY 95 N 1.04 1.08 0.90 3.75 0.00 -1.24 -1.25 103.07 107.35 1x9f h GLY 95 Ca 0.36 -0.60 -0.05 0.00 0.00 0.00 0.00 47.33 47.05 1x9f h GLY 95 CO -0.12 0.56 0.02 0.84 0.00 0.00 0.00 176.54 177.83 1x9f h HIS 96 N 0.98 0.62 -0.46 5.60 -0.00 -0.68 -0.99 115.15 120.22 1x9f h HIS 96 Ca 0.22 -0.10 -0.05 0.00 -0.00 0.00 0.00 60.37 60.44 1x9f h HIS 96 Cb 0.24 -0.16 -0.02 0.00 -0.00 0.00 0.00 27.41 27.46 1x9f h HIS 96 CO 0.02 0.67 0.07 1.25 -0.00 0.00 0.00 177.93 179.95 1x9f h LEU 97 N 0.38 0.65 -0.12 0.26 5.85 -1.05 -1.52 115.31 119.76 1x9f h LEU 97 Ca 0.09 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1x9f h LEU 97 Cb 0.42 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 1x9f h LEU 97 CO 0.01 0.68 0.08 0.00 -0.34 0.00 0.00 178.44 178.87 1x9f h ALA 98 N 1.41 0.15 -0.45 1.25 0.00 -0.94 -2.44 119.26 118.25 1x9f h ALA 98 Ca 0.15 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 1x9f h ALA 98 Cb 0.31 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1x9f h ALA 98 CO 0.00 -0.36 0.09 -0.44 0.00 0.00 0.00 179.25 178.55 1x9f h ASP 99 N 0.15 0.63 -0.30 0.00 3.45 -0.75 0.64 116.42 120.25 1x9f h ASP 99 Ca 0.04 -0.11 -0.05 0.00 0.43 0.00 0.00 57.03 57.35 1x9f h ASP 99 Cb -0.00 -0.16 -0.02 0.00 -0.56 0.00 0.00 39.33 38.58 1x9f h ASP 99 CO -0.01 0.64 0.04 1.56 -1.57 0.00 0.00 179.24 179.90 1x9f h GLN 100 N 0.66 0.61 0.09 3.56 4.20 -1.13 -2.64 115.11 120.46 1x9f h GLN 100 Ca 0.15 -0.13 -0.29 0.00 0.06 0.00 0.00 58.65 58.44 1x9f h GLN 100 Cb 0.28 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 1x9f h GLN 100 CO 0.00 0.61 -1.43 0.45 -0.67 0.00 0.00 178.83 177.78 1x9f h HIS 101 N 0.59 0.34 -0.44 2.96 3.86 -0.87 -3.25 115.15 118.33 1x9f h HIS 101 Ca 0.13 -0.24 0.09 0.00 -1.16 0.00 0.00 60.37 59.19 1x9f h HIS 101 Cb 0.32 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 28.75 1x9f h HIS 101 CO 0.01 1.27 0.30 0.82 0.86 0.00 0.00 177.93 181.20 1x9f h ILE 102 N 0.05 0.87 -0.10 2.45 2.04 -0.87 -1.81 117.51 120.14 1x9f h ILE 102 Ca -0.20 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.60 1x9f h ILE 102 Cb 1.97 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 38.72 1x9f h ILE 102 CO 0.15 0.03 0.00 0.00 0.00 0.00 0.00 178.15 178.34 1x9f n GLN 103 N -4.45 1.30 -3.99 2.37 6.02 -1.00 -4.46 117.38 113.17 1x9f n GLN 103 Ca 0.07 -0.46 -0.33 0.00 -0.01 0.00 0.00 57.00 56.28 1x9f n GLN 103 Cb 0.38 -1.23 -0.14 0.00 1.02 0.00 0.00 30.24 30.27 1x9f n GLN 103 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1x9f s ARG 104 N -1.87 1.92 0.28 -1.09 1.81 -0.68 -5.09 118.95 114.22 1x9f s ARG 104 Ca 0.21 -1.62 -0.29 0.00 -1.72 0.00 0.00 55.73 52.30 1x9f s ARG 104 Cb 0.10 -3.16 -0.09 0.00 -0.45 0.00 0.00 34.95 31.35 1x9f s ARG 104 CO 0.16 -0.80 1.12 0.21 -0.68 0.00 0.00 175.30 175.31 1x9f s LYS 105 N 1.04 4.61 0.00 3.54 2.20 -1.26 -2.81 119.74 127.06 1x9f s LYS 105 Ca 0.02 1.84 0.00 0.00 -0.36 0.00 0.00 55.97 57.48 1x9f s LYS 105 Cb -0.20 -3.18 0.00 0.00 -1.51 0.00 0.00 37.83 32.94 1x9f s LYS 105 CO -0.06 0.16 0.00 0.41 -0.36 0.00 0.00 175.35 175.50 1x9f n GLY 106 N 1.23 2.76 3.68 5.54 0.00 -1.26 -5.02 105.19 112.12 1x9f n GLY 106 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 1x9f n GLY 106 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x9f s VAL 107 N -2.54 4.20 0.34 1.61 1.01 -1.12 -5.02 120.40 118.88 1x9f s VAL 107 Ca 0.00 1.51 0.06 0.00 0.00 0.00 0.00 61.98 63.55 1x9f s VAL 107 Cb 0.00 -3.97 -0.07 0.00 0.00 0.00 0.00 36.38 32.34 1x9f s VAL 107 CO 0.00 -0.03 0.00 0.42 0.00 0.00 0.00 175.10 175.49 1x9f s THR 108 N 2.53 1.60 0.29 3.92 -4.23 -1.26 -4.59 115.64 113.91 1x9f s THR 108 Ca 0.57 -2.05 -0.02 0.00 -1.18 0.00 0.00 61.69 59.01 1x9f s THR 108 Cb -0.25 -2.74 0.27 0.00 1.34 0.00 0.00 72.50 71.12 1x9f s THR 108 CO 0.21 -0.10 1.93 0.11 -0.54 0.00 0.00 174.62 176.23 1x9f h LYS 109 N 2.06 1.09 -0.58 3.99 1.57 -1.86 -2.84 116.57 120.01 1x9f h LYS 109 Ca -0.41 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1x9f h LYS 109 Cb 1.24 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 33.28 1x9f h LYS 109 CO 0.72 0.72 0.36 1.49 -0.57 0.00 0.00 179.45 182.17 1x9f h GLU 110 N 1.13 0.78 -0.35 3.15 4.81 -1.98 -1.01 114.58 121.10 1x9f h GLU 110 Ca 0.36 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.49 1x9f h GLU 110 Cb 0.03 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.23 1x9f h GLU 110 CO -0.11 0.55 0.06 1.88 -0.73 0.00 0.00 179.01 180.66 1x9f h TYR 111 N 0.78 0.53 -0.03 0.92 0.05 -1.91 -0.29 116.97 117.02 1x9f h TYR 111 Ca 0.21 -0.04 -0.18 0.00 0.05 0.00 0.00 58.73 58.77 1x9f h TYR 111 Cb -0.03 -0.16 -0.01 0.00 1.01 0.00 0.00 36.73 37.54 1x9f h TYR 111 CO -0.02 0.48 -0.77 0.74 -1.05 0.00 0.00 178.16 177.53 1x9f h PHE 112 N 0.51 0.34 -0.51 4.88 -1.00 -1.21 0.36 116.94 120.31 1x9f h PHE 112 Ca 0.12 -0.17 0.04 0.00 2.81 0.00 0.00 57.97 60.77 1x9f h PHE 112 Cb 0.24 -0.05 -0.04 0.00 3.61 0.00 0.00 35.95 39.71 1x9f h PHE 112 CO 0.01 0.92 0.28 -0.09 -1.61 0.00 0.00 178.31 177.82 1x9f h ARG 113 N 0.16 0.53 -0.76 1.51 2.43 -0.77 -2.37 114.38 115.11 1x9f h ARG 113 Ca -0.03 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.06 1x9f h ARG 113 Cb 1.36 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 30.75 1x9f h ARG 113 CO 0.12 0.35 0.28 0.78 -1.51 0.00 0.00 179.97 179.99 1x9f h GLY 114 N 0.55 1.23 1.78 2.80 0.00 -0.46 -1.55 103.07 107.41 1x9f h GLY 114 Ca 0.22 -0.69 -0.07 0.00 0.00 0.00 0.00 47.33 46.79 1x9f h GLY 114 CO -0.13 0.64 -0.22 1.19 0.00 0.00 0.00 176.54 178.02 1x9f h ILE 115 N 1.11 1.23 -0.46 2.60 6.09 -0.90 -0.21 117.51 126.97 1x9f h ILE 115 Ca 0.25 -1.06 -0.02 0.00 -1.37 0.00 0.00 64.86 62.66 1x9f h ILE 115 Cb 0.24 1.36 -0.02 0.00 0.47 0.00 0.00 36.82 38.87 1x9f h ILE 115 CO -0.02 0.32 0.20 1.23 -3.07 0.00 0.00 178.15 176.82 1x9f h GLY 116 N 0.92 0.72 1.53 8.18 0.00 -0.79 -0.63 103.07 113.01 1x9f h GLY 116 Ca 0.04 -0.38 -0.13 0.00 0.00 0.00 0.00 47.33 46.87 1x9f h GLY 116 CO 0.04 0.36 -0.39 0.83 0.00 0.00 0.00 176.54 177.37 1x9f h GLU 117 N 0.60 0.52 -0.21 4.80 5.08 -1.01 -2.40 114.58 121.96 1x9f h GLU 117 Ca 0.16 -0.25 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1x9f h GLU 117 Cb 0.15 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1x9f h GLU 117 CO -0.02 0.82 0.13 0.00 -1.00 0.00 0.00 179.01 178.94 1x9f h ALA 118 N 1.15 0.27 -0.77 3.43 0.00 -0.79 -1.84 119.26 120.71 1x9f h ALA 118 Ca 0.04 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1x9f h ALA 118 Cb 0.87 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 1x9f h ALA 118 CO 0.07 -0.22 0.26 0.74 0.00 0.00 0.00 179.25 180.11 1x9f h PHE 119 N 0.25 1.21 0.00 0.00 -1.00 -0.97 -0.93 116.94 115.51 1x9f h PHE 119 Ca 0.08 -0.11 -0.06 0.00 2.81 0.00 0.00 57.97 60.68 1x9f h PHE 119 Cb 0.03 -0.35 -0.01 0.00 3.61 0.00 0.00 35.95 39.22 1x9f h PHE 119 CO -0.05 0.94 -0.29 0.00 -1.61 0.00 0.00 178.31 177.30 1x9f h ALA 120 N 1.14 1.15 0.19 2.45 0.00 -1.36 0.75 119.26 123.58 1x9f h ALA 120 Ca 0.25 -0.26 -0.33 0.00 0.00 0.00 0.00 54.91 54.57 1x9f h ALA 120 Cb 0.28 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.04 1x9f h ALA 120 CO -0.01 0.36 -1.56 -0.09 0.00 0.00 0.00 179.25 177.95 1x9f h ARG 121 N 0.00 0.40 0.00 0.00 2.43 -1.08 -3.40 114.38 112.73 1x9f h ARG 121 Ca -0.00 -0.69 -0.17 0.00 -0.81 0.00 0.00 59.98 58.31 1x9f h ARG 121 Cb 0.68 0.26 -0.02 0.00 -0.42 0.00 0.00 29.97 30.46 1x9f h ARG 121 CO 0.04 1.31 -0.91 0.28 -1.51 0.00 0.00 179.97 179.18 1x9f h VAL 122 N 0.11 1.16 -0.56 0.20 2.07 -1.00 -3.38 116.25 114.85 1x9f h VAL 122 Ca -0.27 -2.23 0.11 0.00 0.82 0.00 0.00 66.70 65.14 1x9f h VAL 122 Cb 2.09 2.55 -0.09 0.00 -1.52 0.00 0.00 31.29 34.32 1x9f h VAL 122 CO 0.21 0.40 -0.01 -0.07 0.02 0.00 0.00 177.57 178.12 1x9f h LEU 123 N -0.99 -0.27 -1.25 2.57 3.38 -1.08 0.47 115.31 118.13 1x9f h LEU 123 Ca -0.25 0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1x9f h LEU 123 Cb 1.22 0.25 0.00 0.00 0.09 0.00 0.00 40.66 42.22 1x9f h LEU 123 CO -0.15 -0.10 0.05 -0.81 0.09 0.00 0.00 178.44 177.52 1x9f n PRO 124 N -5.27 0.12 0.10 1.13 -0.04 -1.26 -0.86 135.00 128.92 1x9f n PRO 124 Ca 0.07 0.62 0.12 0.00 -0.04 0.00 0.00 63.50 64.26 1x9f n PRO 124 Cb 0.31 -1.95 0.07 0.00 -0.04 0.00 0.00 33.50 31.89 1x9f n PRO 124 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1x9f h GLN 125 N 0.00 0.00 0.00 0.54 4.20 -0.24 -3.37 115.11 116.24 1x9f h GLN 125 Ca 0.00 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.51 1x9f h GLN 125 Cb 0.10 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.84 1x9f h GLN 125 CO 0.00 0.00 -1.94 1.33 -0.67 0.00 0.00 178.83 177.55 1x9f n VAL 126 N -2.54 0.93 -3.91 -0.54 0.24 -0.04 -4.96 118.33 107.52 1x9f n VAL 126 Ca 0.01 -0.70 -0.11 0.00 -2.04 0.00 0.00 64.34 61.51 1x9f n VAL 126 Cb 0.51 -0.43 -0.11 0.00 -1.47 0.00 0.00 33.84 32.34 1x9f n VAL 126 CO 0.00 0.00 0.00 -1.48 -2.14 0.00 0.00 176.83 173.21 1x9f s LEU 127 N -5.32 1.90 0.33 1.34 2.34 -0.80 -5.02 118.68 113.45 1x9f s LEU 127 Ca -0.07 -0.21 0.06 0.00 0.06 0.00 0.00 54.13 53.97 1x9f s LEU 127 Cb 0.09 0.29 -0.01 0.00 -0.56 0.00 0.00 46.19 46.00 1x9f s LEU 127 CO 0.85 -0.22 0.48 -0.44 -1.06 0.00 0.00 176.35 175.95 1x9f s SER 128 N -0.94 6.01 -1.46 1.48 0.01 -1.26 -4.23 113.70 113.31 1x9f s SER 128 Ca -0.10 -0.10 -0.09 0.00 1.31 0.00 0.00 55.95 56.96 1x9f s SER 128 Cb -0.06 -1.35 0.04 0.00 0.21 0.00 0.00 66.02 64.86 1x9f s SER 128 CO 0.00 -0.41 0.86 0.00 0.41 0.00 0.00 173.24 174.10 1x9f s PHE 130 N -3.22 3.55 -0.99 0.00 5.36 -1.26 -5.01 117.98 116.42 1x9f s PHE 130 Ca 0.51 1.13 -0.16 0.00 -0.96 0.00 0.00 56.93 57.45 1x9f s PHE 130 Cb -0.24 -2.73 0.17 0.00 -0.34 0.00 0.00 43.02 39.87 1x9f s PHE 130 CO 0.63 0.10 1.13 1.21 -1.46 0.00 0.00 175.22 176.83 1x9f s ASN 131 N 0.76 6.80 0.45 6.13 3.04 -1.26 -4.87 114.94 126.00 1x9f s ASN 131 Ca 0.34 -2.49 0.14 0.00 0.04 0.00 0.00 52.86 50.89 1x9f s ASN 131 Cb -0.17 -2.35 1.01 0.00 -1.54 0.00 0.00 41.25 38.20 1x9f s ASN 131 CO 0.15 -0.85 2.00 1.62 -3.04 0.00 0.00 177.10 176.99 1x9f h VAL 132 N 5.22 1.12 0.20 -5.21 3.04 -1.97 -2.31 116.25 116.34 1x9f h VAL 132 Ca 0.19 -0.56 -0.01 0.00 -1.01 0.00 0.00 66.70 65.30 1x9f h VAL 132 Cb 0.98 1.28 0.00 0.00 -2.01 0.00 0.00 31.29 31.54 1x9f h VAL 132 CO 1.07 0.16 -0.09 0.44 -1.01 0.00 0.00 177.57 178.14 1x9f h ASP 133 N 0.02 -0.22 -0.73 3.17 5.19 -1.99 0.16 116.42 122.02 1x9f h ASP 133 Ca 0.00 -0.20 0.04 0.00 -0.62 0.00 0.00 57.03 56.26 1x9f h ASP 133 Cb 0.29 0.06 -0.05 0.00 0.18 0.00 0.00 39.33 39.81 1x9f h ASP 133 CO 0.02 0.08 0.45 0.00 -3.12 0.00 0.00 179.24 176.67 1x9f h ALA 134 N 0.18 0.97 0.05 3.45 0.00 -1.93 -0.96 119.26 121.03 1x9f h ALA 134 Ca -0.03 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1x9f h ALA 134 Cb 0.41 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1x9f h ALA 134 CO 0.04 0.20 -0.03 2.35 0.00 0.00 0.00 179.25 181.82 1x9f h TRP 135 N 0.86 -0.07 -0.66 0.00 2.91 -1.22 -2.18 115.95 115.60 1x9f h TRP 135 Ca 0.31 -0.00 -0.04 0.00 1.13 0.00 0.00 58.89 60.28 1x9f h TRP 135 Cb 0.08 0.02 -0.03 0.00 -0.51 0.00 0.00 29.16 28.72 1x9f h TRP 135 CO -0.05 -0.04 0.24 -0.91 -1.03 0.00 0.00 178.44 176.65 1x9f h ASN 136 N -0.07 0.90 0.08 2.65 -0.26 -0.40 0.25 115.58 118.73 1x9f h ASN 136 Ca -0.01 -0.13 -0.00 0.00 -0.56 0.00 0.00 56.30 55.60 1x9f h ASN 136 Cb 0.06 -0.23 0.00 0.00 -1.06 0.00 0.00 38.32 37.08 1x9f h ASN 136 CO 0.01 0.82 -0.04 -0.09 -1.06 0.00 0.00 177.43 177.06 1x9f h ARG 137 N 0.95 -0.11 -0.23 0.81 2.43 -0.89 0.44 114.38 117.78 1x9f h ARG 137 Ca 0.22 0.01 -0.18 0.00 -0.81 0.00 0.00 59.98 59.22 1x9f h ARG 137 Cb 0.22 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.79 1x9f h ARG 137 CO -0.02 -0.04 -0.58 0.00 -1.51 0.00 0.00 179.97 177.83 1x9f h PHE 139 N 0.56 1.15 -0.76 0.00 3.57 -0.31 -0.68 116.94 120.48 1x9f h PHE 139 Ca 0.00 -0.09 -0.04 0.00 3.53 0.00 0.00 57.97 61.38 1x9f h PHE 139 Cb 1.17 -0.35 -0.03 0.00 2.79 0.00 0.00 35.95 39.53 1x9f h PHE 139 CO 0.06 0.88 0.32 0.45 -2.23 0.00 0.00 178.31 177.79 1x9f h HIS 140 N 1.09 1.14 -0.46 0.41 3.86 -0.90 0.10 115.15 120.40 1x9f h HIS 140 Ca 0.25 -0.08 -0.02 0.00 -1.16 0.00 0.00 60.37 59.37 1x9f h HIS 140 Cb 0.21 -0.34 -0.02 0.00 1.06 0.00 0.00 27.41 28.31 1x9f h HIS 140 CO 0.02 0.86 0.22 -0.09 0.86 0.00 0.00 177.93 179.79 1x9f h ARG 141 N 1.09 0.66 -0.17 2.45 1.12 -1.12 0.40 114.38 118.81 1x9f h ARG 141 Ca 0.25 -0.10 -0.01 0.00 -1.11 0.00 0.00 59.98 59.02 1x9f h ARG 141 Cb 0.19 -0.12 -0.01 0.00 -0.01 0.00 0.00 29.97 30.02 1x9f h ARG 141 CO -0.02 0.56 0.06 -0.07 -3.11 0.00 0.00 179.97 177.39 1x9f h LEU 142 N 0.59 0.23 -1.08 3.80 3.38 -0.91 -3.11 115.31 118.22 1x9f h LEU 142 Ca 0.16 -0.17 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 1x9f h LEU 142 Cb 0.12 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1x9f h LEU 142 CO -0.02 0.34 -0.26 0.58 0.09 0.00 0.00 178.44 179.17 1x9f h VAL 143 N 0.11 1.25 -0.39 1.22 2.07 -0.53 -2.47 116.25 117.52 1x9f h VAL 143 Ca 0.05 -1.20 0.07 0.00 0.82 0.00 0.00 66.70 66.44 1x9f h VAL 143 Cb 0.19 1.41 -0.07 0.00 -1.52 0.00 0.00 31.29 31.30 1x9f h VAL 143 CO -0.00 0.37 -0.03 0.00 0.02 0.00 0.00 177.57 177.92 1x9f h ALA 144 N 1.44 0.33 -0.13 1.67 0.00 -0.14 -0.45 119.26 121.98 1x9f h ALA 144 Ca 0.04 0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1x9f h ALA 144 Cb 0.62 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 1x9f h ALA 144 CO 0.04 -0.42 -0.03 -0.09 0.00 0.00 0.00 179.25 178.76 1x9f h ARG 145 N 0.07 0.25 -0.76 0.00 9.65 -1.42 -2.57 114.38 119.61 1x9f h ARG 145 Ca 0.19 -0.10 0.05 0.00 -1.10 0.00 0.00 59.98 59.02 1x9f h ARG 145 Cb 0.28 -0.01 -0.05 0.00 -1.39 0.00 0.00 29.97 28.79 1x9f h ARG 145 CO -0.35 0.55 0.46 0.82 2.80 0.00 0.00 179.97 184.25 1x9f h ILE 146 N -0.06 1.06 -0.47 1.20 2.04 -1.20 -2.63 117.51 117.44 1x9f h ILE 146 Ca 0.03 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.59 1x9f h ILE 146 Cb 0.46 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 1x9f h ILE 146 CO 0.01 0.16 0.00 0.00 0.00 0.00 0.00 178.15 178.32 1x9f n ALA 147 N -2.34 2.94 -0.31 1.87 0.00 -0.20 -4.42 120.51 118.05 1x9f n ALA 147 Ca 0.09 -1.14 0.03 0.00 0.00 0.00 0.00 53.44 52.43 1x9f n ALA 147 Cb 0.13 -1.02 0.18 0.00 0.00 0.00 0.00 19.45 18.74 1x9f n ALA 147 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1x9f h LYS 148 N 2.98 0.86 -0.16 0.00 3.64 -1.06 -2.73 116.57 120.11 1x9f h LYS 148 Ca 0.00 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.29 1x9f h LYS 148 Cb 1.12 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.73 1x9f h LYS 148 CO 0.17 0.57 -0.09 -0.25 -2.27 0.00 0.00 179.45 177.59 1x9f n ASP 149 N -4.68 2.77 0.10 4.20 8.00 -1.26 -4.84 116.55 120.83 1x9f n ASP 149 Ca 0.15 -3.33 -0.21 0.00 0.71 0.00 0.00 54.79 52.10 1x9f n ASP 149 Cb 0.27 -0.52 -0.13 0.00 -0.02 0.00 0.00 41.12 40.72 1x9f n ASP 149 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1x9f h LEU 150 N 0.91 0.83 0.00 0.64 3.38 -1.79 -3.49 115.31 115.79 1x9f h LEU 150 Ca 0.05 -0.77 0.00 0.00 0.09 0.00 0.00 57.88 57.24 1x9f h LEU 150 Cb 1.28 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1x9f h LEU 150 CO 0.15 1.58 0.00 -0.81 0.09 0.00 0.00 178.44 179.45