#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b9f n SER 57 N 0.00 2.20 0.06 0.00 2.88 -1.26 -4.73 113.62 112.76 1b9f n SER 57 Ca 0.00 1.12 0.10 0.00 -1.33 0.00 0.00 58.87 58.77 1b9f n SER 57 Cb 0.00 -1.44 0.43 0.00 -0.75 0.00 0.00 64.21 62.44 1b9f n SER 57 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1b9f n PRO 58 N 0.25 0.10 -0.08 -1.46 -0.04 -1.26 -3.14 135.00 129.36 1b9f n PRO 58 Ca 0.07 0.27 0.12 0.00 -0.04 0.00 0.00 63.50 63.92 1b9f n PRO 58 Cb 0.38 -1.66 0.26 0.00 -0.04 0.00 0.00 33.50 32.44 1b9f n PRO 58 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1b9f n GLY 59 N 0.37 0.92 3.71 0.55 0.00 -1.26 -4.94 105.19 104.55 1b9f n GLY 59 Ca 0.04 -0.61 -0.37 0.00 0.00 0.00 0.00 46.02 45.08 1b9f n GLY 59 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1b9f s ILE 60 N -1.80 5.27 0.19 -0.61 1.01 -1.19 -0.72 121.20 123.36 1b9f s ILE 60 Ca 0.34 0.63 0.10 0.00 0.00 0.00 0.00 60.65 61.72 1b9f s ILE 60 Cb 0.21 -3.68 -0.04 0.00 0.01 0.00 0.00 42.46 38.95 1b9f s ILE 60 CO 0.30 0.35 -0.20 0.26 0.00 0.00 0.00 174.94 175.65 1b9f s TRP 61 N 0.67 2.06 -0.08 3.97 0.52 -0.70 -2.12 118.94 123.26 1b9f s TRP 61 Ca 0.18 -0.41 0.02 0.00 0.02 0.00 0.00 56.10 55.91 1b9f s TRP 61 Cb -0.14 -1.00 -0.02 0.00 -1.15 0.00 0.00 33.47 31.16 1b9f s TRP 61 CO 0.06 0.45 -0.14 -1.14 0.02 0.00 0.00 176.95 176.19 1b9f s GLN 62 N -2.88 2.81 -0.06 4.98 2.00 -0.28 -0.58 119.66 125.65 1b9f s GLN 62 Ca 0.20 -0.69 -0.00 0.00 -2.00 0.00 0.00 55.36 52.86 1b9f s GLN 62 Cb -0.06 -2.46 0.02 0.00 0.80 0.00 0.00 33.01 31.31 1b9f s GLN 62 CO 0.09 0.48 -0.03 -1.17 -0.50 0.00 0.00 175.29 174.16 1b9f s LEU 63 N -0.35 0.98 0.18 3.68 2.96 -0.44 -0.64 118.68 125.05 1b9f s LEU 63 Ca 0.04 -0.13 -0.03 0.00 -0.22 0.00 0.00 54.13 53.79 1b9f s LEU 63 Cb -0.12 -0.49 -0.03 0.00 0.50 0.00 0.00 46.19 46.04 1b9f s LEU 63 CO 0.02 -0.12 0.16 -1.81 -1.32 0.00 0.00 176.35 173.28 1b9f s ASP 64 N 1.47 0.17 0.01 3.68 1.01 -0.77 -4.34 116.67 117.91 1b9f s ASP 64 Ca -0.02 -1.23 0.06 0.00 0.71 0.00 0.00 52.55 52.07 1b9f s ASP 64 Cb -0.13 0.38 -0.03 0.00 1.01 0.00 0.00 42.92 44.14 1b9f s ASP 64 CO -0.03 -0.84 -0.16 0.00 0.21 0.00 0.00 175.17 174.35 1b9f s THR 66 N -0.88 1.59 -0.04 0.00 -1.32 0.10 -4.97 115.64 110.12 1b9f s THR 66 Ca 0.14 -2.17 0.05 0.00 -1.21 0.00 0.00 61.69 58.50 1b9f s THR 66 Cb -0.11 -2.01 -0.02 0.00 -1.51 0.00 0.00 72.50 68.85 1b9f s THR 66 CO 0.04 -0.62 -0.18 -1.00 -2.21 0.00 0.00 174.62 170.65 1b9f s HIS 67 N -3.06 2.58 -0.28 9.09 3.76 -1.26 -1.34 115.29 124.77 1b9f s HIS 67 Ca 0.21 -0.27 -0.16 0.00 -0.15 0.00 0.00 55.06 54.70 1b9f s HIS 67 Cb 0.00 -1.59 0.09 0.00 1.11 0.00 0.00 32.58 32.19 1b9f s HIS 67 CO 0.05 0.10 0.73 -1.17 -0.85 0.00 0.00 174.74 173.60 1b9f s LEU 68 N -0.67 -0.90 -1.37 0.89 2.96 -1.10 -4.98 118.68 113.52 1b9f s LEU 68 Ca 0.10 1.43 -0.04 0.00 -0.22 0.00 0.00 54.13 55.40 1b9f s LEU 68 Cb -0.11 2.29 0.02 0.00 0.50 0.00 0.00 46.19 48.90 1b9f s LEU 68 CO 0.00 -0.22 0.32 -0.62 -1.32 0.00 0.00 176.35 174.50 1b9f n GLU 69 N 4.32 -3.26 -0.99 1.98 1.02 -1.26 -1.17 120.64 121.27 1b9f n GLU 69 Ca -0.19 0.71 0.00 0.00 -0.02 0.00 0.00 57.16 57.66 1b9f n GLU 69 Cb 0.58 -5.43 0.00 0.00 -0.02 0.00 0.00 31.44 26.57 1b9f n GLU 69 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1b9f n GLY 70 N -1.15 0.32 3.74 0.62 0.00 -1.26 -5.01 105.19 102.45 1b9f n GLY 70 Ca -0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.64 1b9f n GLY 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b9f s LYS 71 N -0.76 2.18 -0.06 1.61 1.02 -0.32 -5.01 119.74 118.40 1b9f s LYS 71 Ca 0.00 -2.00 0.06 0.00 0.02 0.00 0.00 55.97 54.04 1b9f s LYS 71 Cb 0.00 -1.86 -0.01 0.00 -0.52 0.00 0.00 37.83 35.44 1b9f s LYS 71 CO 0.00 -0.21 -0.24 0.08 -0.92 0.00 0.00 175.35 174.07 1b9f s VAL 72 N -2.69 2.17 -0.21 3.17 1.01 -1.12 -2.70 120.40 120.03 1b9f s VAL 72 Ca 0.33 -1.02 -0.02 0.00 0.00 0.00 0.00 61.98 61.27 1b9f s VAL 72 Cb 0.04 -1.79 0.00 0.00 0.00 0.00 0.00 36.38 34.63 1b9f s VAL 72 CO 0.18 0.57 -0.09 -0.63 0.00 0.00 0.00 175.10 175.14 1b9f s ILE 73 N -0.15 2.95 -0.18 2.22 1.01 -0.45 -0.40 121.20 126.20 1b9f s ILE 73 Ca -0.04 -0.68 -0.20 0.00 0.00 0.00 0.00 60.65 59.73 1b9f s ILE 73 Cb -0.14 -2.34 -0.03 0.00 0.01 0.00 0.00 42.46 39.96 1b9f s ILE 73 CO 0.04 0.43 0.60 -0.22 0.00 0.00 0.00 174.94 175.78 1b9f s LEU 74 N 1.41 4.16 -0.21 2.97 0.20 -0.17 -0.72 118.68 126.32 1b9f s LEU 74 Ca 0.05 0.82 0.01 0.00 0.69 0.00 0.00 54.13 55.70 1b9f s LEU 74 Cb -0.14 -2.84 0.03 0.00 -0.43 0.00 0.00 46.19 42.81 1b9f s LEU 74 CO -0.06 -0.22 -0.17 -0.69 -0.29 0.00 0.00 176.35 174.92 1b9f s VAL 75 N 1.68 2.12 -0.16 1.68 1.01 0.51 -2.29 120.40 124.96 1b9f s VAL 75 Ca 0.28 -1.14 -0.06 0.00 0.00 0.00 0.00 61.98 61.06 1b9f s VAL 75 Cb -0.16 -2.00 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 1b9f s VAL 75 CO 0.11 0.36 0.04 0.00 0.00 0.00 0.00 175.10 175.61 1b9f s ALA 76 N 1.24 3.35 -0.08 5.51 0.00 0.08 -1.84 121.76 130.02 1b9f s ALA 76 Ca 0.01 -0.76 0.03 0.00 0.00 0.00 0.00 51.96 51.24 1b9f s ALA 76 Cb -0.15 -1.80 0.00 0.00 0.00 0.00 0.00 23.12 21.18 1b9f s ALA 76 CO -0.10 0.28 -0.19 0.08 0.00 0.00 0.00 175.76 175.82 1b9f s VAL 77 N 0.08 1.69 -0.42 0.00 1.01 0.19 -1.73 120.40 121.22 1b9f s VAL 77 Ca 0.04 -0.81 -0.26 0.00 0.00 0.00 0.00 61.98 60.95 1b9f s VAL 77 Cb -0.12 -1.48 0.02 0.00 0.00 0.00 0.00 36.38 34.80 1b9f s VAL 77 CO 0.01 0.48 0.95 -2.28 0.00 0.00 0.00 175.10 174.26 1b9f s HIS 78 N 0.44 2.99 0.17 5.22 2.46 -0.13 -1.13 115.29 125.30 1b9f s HIS 78 Ca -0.16 0.62 -0.14 0.00 0.47 0.00 0.00 55.06 55.84 1b9f s HIS 78 Cb -0.17 -3.87 0.13 0.00 -0.13 0.00 0.00 32.58 28.55 1b9f s HIS 78 CO 0.07 -0.98 1.73 0.28 -2.47 0.00 0.00 174.74 173.36 1b9f h VAL 79 N 5.97 0.80 -0.13 0.89 2.07 -1.76 0.18 116.25 124.27 1b9f h VAL 79 Ca -0.23 -0.09 -0.03 0.00 0.82 0.00 0.00 66.70 67.17 1b9f h VAL 79 Cb 1.07 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 1b9f h VAL 79 CO 1.02 0.05 -0.04 0.00 0.02 0.00 0.00 177.57 178.61 1b9f h ALA 80 N 1.32 1.69 0.00 1.67 0.00 -1.80 -3.32 119.26 118.82 1b9f h ALA 80 Ca 0.21 -0.12 -0.16 0.00 0.00 0.00 0.00 54.91 54.84 1b9f h ALA 80 Cb 0.24 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1b9f h ALA 80 CO -0.25 0.24 -1.87 -1.13 0.00 0.00 0.00 179.25 176.24 1b9f n SER 81 N -4.38 1.52 0.00 0.00 3.41 -1.09 -4.80 113.62 108.28 1b9f n SER 81 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 1b9f n SER 81 Cb 0.19 1.17 0.00 0.00 -0.26 0.00 0.00 64.21 65.31 1b9f n SER 81 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1b9f n GLY 82 N 1.94 0.75 3.77 5.00 0.00 0.03 -4.54 105.19 112.14 1b9f n GLY 82 Ca -0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.46 1b9f n GLY 82 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1b9f s TYR 83 N -2.75 2.96 0.09 1.61 5.04 -1.24 -4.73 117.35 118.34 1b9f s TYR 83 Ca 0.00 1.40 0.10 0.00 -2.44 0.00 0.00 57.07 56.13 1b9f s TYR 83 Cb 0.00 -3.69 -0.03 0.00 0.35 0.00 0.00 41.96 38.58 1b9f s TYR 83 CO 0.00 -1.97 -0.27 0.42 -1.34 0.00 0.00 175.55 172.40 1b9f s ILE 84 N -1.18 2.21 -0.02 3.14 1.01 -1.26 -0.96 121.20 124.14 1b9f s ILE 84 Ca 0.51 -1.58 0.05 0.00 0.00 0.00 0.00 60.65 59.64 1b9f s ILE 84 Cb -0.39 -1.92 -0.01 0.00 0.01 0.00 0.00 42.46 40.14 1b9f s ILE 84 CO 0.52 0.22 -0.18 -1.61 0.00 0.00 0.00 174.94 173.90 1b9f s GLU 85 N -1.66 1.58 0.12 2.79 2.02 -0.70 -4.95 118.70 117.89 1b9f s GLU 85 Ca 0.13 -0.63 -0.08 0.00 0.02 0.00 0.00 54.97 54.41 1b9f s GLU 85 Cb -0.10 -1.46 -0.01 0.00 0.10 0.00 0.00 34.13 32.66 1b9f s GLU 85 CO 0.04 0.33 0.21 0.00 0.02 0.00 0.00 175.26 175.86 1b9f s ALA 86 N -0.25 -0.03 0.05 5.21 0.00 -1.26 -0.74 121.76 124.74 1b9f s ALA 86 Ca 0.03 -0.81 -0.02 0.00 0.00 0.00 0.00 51.96 51.16 1b9f s ALA 86 Cb -0.09 0.65 -0.03 0.00 0.00 0.00 0.00 23.12 23.65 1b9f s ALA 86 CO 0.00 -0.56 -0.01 -1.21 0.00 0.00 0.00 175.76 173.99 1b9f s GLU 87 N -3.92 0.58 -0.22 0.00 0.41 -0.97 -4.99 118.70 109.59 1b9f s GLU 87 Ca 0.11 -1.07 -0.05 0.00 -0.41 0.00 0.00 54.97 53.56 1b9f s GLU 87 Cb 0.05 0.20 -0.01 0.00 -1.78 0.00 0.00 34.13 32.59 1b9f s GLU 87 CO -0.06 -0.11 -0.02 0.08 -0.49 0.00 0.00 175.26 174.66 1b9f s VAL 88 N -3.42 3.58 0.12 2.63 1.01 -1.26 -1.00 120.40 122.06 1b9f s VAL 88 Ca 0.02 -0.42 0.09 0.00 0.00 0.00 0.00 61.98 61.67 1b9f s VAL 88 Cb 0.04 -2.64 -0.04 0.00 0.00 0.00 0.00 36.38 33.74 1b9f s VAL 88 CO -0.08 0.41 -0.17 0.27 0.00 0.00 0.00 175.10 175.53 1b9f s ILE 89 N 1.45 2.92 0.21 2.22 -4.36 0.46 -4.99 121.20 119.11 1b9f s ILE 89 Ca 0.05 -1.49 -0.11 0.00 -0.26 0.00 0.00 60.65 58.85 1b9f s ILE 89 Cb -0.14 -2.35 0.17 0.00 1.25 0.00 0.00 42.46 41.39 1b9f s ILE 89 CO -0.01 0.09 1.68 -0.65 0.24 0.00 0.00 174.94 176.29 1b9f h PRO 90 N 3.68 0.16 -2.56 0.37 0.11 -1.99 -2.97 132.00 128.81 1b9f h PRO 90 Ca -0.50 -0.01 0.10 0.00 0.11 0.00 0.00 66.00 65.71 1b9f h PRO 90 Cb 1.17 -0.04 -0.11 0.00 0.11 0.00 0.00 31.00 32.14 1b9f h PRO 90 CO 0.47 0.10 0.39 0.00 -0.21 0.00 0.00 178.00 178.76 1b9f s ALA 91 N -6.14 -1.62 -0.11 -0.75 0.00 -1.26 -4.46 121.76 107.43 1b9f s ALA 91 Ca -0.13 0.40 -0.29 0.00 0.00 0.00 0.00 51.96 51.93 1b9f s ALA 91 Cb 0.18 0.65 -0.05 0.00 0.00 0.00 0.00 23.12 23.91 1b9f s ALA 91 CO 0.73 -0.88 1.63 -1.21 0.00 0.00 0.00 175.76 176.04 1b9f s GLU 92 N -3.43 4.06 0.03 0.00 2.02 -1.26 -4.93 118.70 115.20 1b9f s GLU 92 Ca 0.08 2.02 0.00 0.00 0.02 0.00 0.00 54.97 57.09 1b9f s GLU 92 Cb -0.02 -3.99 -0.03 0.00 0.10 0.00 0.00 34.13 30.19 1b9f s GLU 92 CO -0.03 -0.98 -0.04 0.95 0.02 0.00 0.00 175.26 175.18 1b9f s THR 93 N 4.39 0.23 0.32 3.63 -4.23 -1.26 -5.03 115.64 113.69 1b9f s THR 93 Ca 0.72 -1.20 0.01 0.00 -1.18 0.00 0.00 61.69 60.04 1b9f s THR 93 Cb -0.31 -0.68 0.20 0.00 1.34 0.00 0.00 72.50 73.05 1b9f s THR 93 CO 0.29 -0.62 1.91 1.23 -0.54 0.00 0.00 174.62 176.89 1b9f h GLY 94 N 4.18 0.86 1.01 3.99 0.00 -1.94 -1.93 103.07 109.24 1b9f h GLY 94 Ca -0.33 -0.41 -0.02 0.00 0.00 0.00 0.00 47.33 46.56 1b9f h GLY 94 CO 0.48 0.40 0.33 1.46 0.00 0.00 0.00 176.54 179.20 1b9f h GLN 95 N 0.80 0.97 -0.41 4.80 7.50 -1.96 0.67 115.11 127.49 1b9f h GLN 95 Ca 0.20 -0.14 -0.14 0.00 0.50 0.00 0.00 58.65 59.06 1b9f h GLN 95 Cb 0.12 -0.18 -0.01 0.00 0.05 0.00 0.00 27.48 27.46 1b9f h GLN 95 CO -0.02 0.77 -0.31 0.93 -1.50 0.00 0.00 178.83 178.70 1b9f h GLU 96 N 0.94 0.90 -0.73 1.46 4.39 -1.81 -1.32 114.58 118.41 1b9f h GLU 96 Ca 0.23 -0.42 -0.06 0.00 0.34 0.00 0.00 59.36 59.44 1b9f h GLU 96 Cb 0.12 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.73 1b9f h GLU 96 CO -0.03 1.08 0.20 1.15 -1.16 0.00 0.00 179.01 180.25 1b9f h THR 97 N 0.76 1.26 -0.47 1.13 2.02 -0.97 -1.26 112.91 115.37 1b9f h THR 97 Ca 0.08 -0.94 -0.07 0.00 0.77 0.00 0.00 66.41 66.25 1b9f h THR 97 Cb 0.88 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 67.75 1b9f h THR 97 CO 0.08 0.37 0.01 0.00 0.37 0.00 0.00 175.52 176.34 1b9f h ALA 98 N 1.12 0.64 -0.53 6.16 0.00 -0.77 -1.35 119.26 124.52 1b9f h ALA 98 Ca 0.23 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1b9f h ALA 98 Cb 0.34 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1b9f h ALA 98 CO -0.00 0.43 0.09 -0.92 0.00 0.00 0.00 179.25 178.85 1b9f h TYR 99 N 0.68 0.94 -0.84 0.00 3.20 -1.03 -0.94 116.97 118.98 1b9f h TYR 99 Ca 0.13 -0.13 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 1b9f h TYR 99 Cb 0.50 -0.26 -0.04 0.00 1.54 0.00 0.00 36.73 38.47 1b9f h TYR 99 CO 0.04 0.83 0.43 0.35 -1.64 0.00 0.00 178.16 178.18 1b9f h PHE 100 N 0.77 1.18 -0.52 -3.82 3.04 -1.03 -1.38 116.94 115.18 1b9f h PHE 100 Ca 0.16 -0.04 -0.03 0.00 3.98 0.00 0.00 57.97 62.04 1b9f h PHE 100 Cb 0.40 -0.37 -0.02 0.00 2.56 0.00 0.00 35.95 38.51 1b9f h PHE 100 CO 0.03 0.83 0.19 -0.07 -2.02 0.00 0.00 178.31 177.27 1b9f h LEU 101 N 1.18 0.73 -0.73 0.59 3.38 -0.98 -0.07 115.31 119.42 1b9f h LEU 101 Ca 0.29 -0.18 -0.09 0.00 0.09 0.00 0.00 57.88 57.99 1b9f h LEU 101 Cb 0.07 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1b9f h LEU 101 CO -0.04 0.72 0.00 0.25 0.09 0.00 0.00 178.44 179.46 1b9f h LEU 102 N 0.70 0.95 0.03 1.67 5.85 -0.81 0.13 115.31 123.83 1b9f h LEU 102 Ca 0.17 -0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.64 1b9f h LEU 102 Cb 0.23 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 1b9f h LEU 102 CO -0.01 1.01 -0.04 0.11 -0.34 0.00 0.00 178.44 179.17 1b9f h LYS 103 N 0.90 -0.08 -0.90 1.25 1.57 -1.03 -2.18 116.57 116.11 1b9f h LYS 103 Ca 0.16 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.97 1b9f h LYS 103 Cb 0.52 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.80 1b9f h LYS 103 CO 0.03 -0.05 0.59 1.25 -0.57 0.00 0.00 179.45 180.69 1b9f h LEU 104 N -0.08 1.01 -1.38 2.94 5.85 -0.71 -2.41 115.31 120.52 1b9f h LEU 104 Ca 0.01 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 1b9f h LEU 104 Cb 0.09 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 40.88 1b9f h LEU 104 CO -0.02 0.71 -0.01 0.00 -0.34 0.00 0.00 178.44 178.79 1b9f h ALA 105 N 1.34 1.00 0.00 1.25 0.00 -0.84 -1.65 119.26 120.36 1b9f h ALA 105 Ca 0.34 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1b9f h ALA 105 Cb -0.09 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1b9f h ALA 105 CO -0.09 0.01 -0.21 0.41 0.00 0.00 0.00 179.25 179.37 1b9f n GLY 106 N 0.10 -1.44 0.11 0.00 0.00 -0.83 -4.10 105.19 99.02 1b9f n GLY 106 Ca 0.01 -0.18 -0.14 0.00 0.00 0.00 0.00 46.02 45.71 1b9f n GLY 106 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b9f n ARG 107 N -1.64 0.72 -4.21 1.61 1.74 -0.73 -5.04 116.66 109.11 1b9f n ARG 107 Ca 0.06 0.09 -0.14 0.00 -0.77 0.00 0.00 57.85 57.09 1b9f n ARG 107 Cb 0.36 -1.45 -0.10 0.00 -1.02 0.00 0.00 32.46 30.24 1b9f n ARG 107 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1b9f s TRP 108 N -2.44 1.16 -1.09 -1.55 0.52 -0.70 -5.07 118.94 109.75 1b9f s TRP 108 Ca -0.24 -0.70 -0.21 0.00 0.02 0.00 0.00 56.10 54.97 1b9f s TRP 108 Cb 0.07 -0.61 0.07 0.00 -1.15 0.00 0.00 33.47 31.85 1b9f s TRP 108 CO 0.57 0.03 1.49 -1.25 0.02 0.00 0.00 176.95 177.82 1b9f s PRO 109 N -3.18 3.72 -0.30 4.98 0.04 -1.26 -4.41 135.00 134.59 1b9f s PRO 109 Ca 0.10 -1.50 -0.24 0.00 0.04 0.00 0.00 61.00 59.40 1b9f s PRO 109 Cb -0.01 -5.34 0.00 0.00 0.04 0.00 0.00 34.50 29.20 1b9f s PRO 109 CO 0.00 -2.15 0.84 0.08 0.04 0.00 0.00 177.00 175.81 1b9f s VAL 110 N 4.34 4.76 -0.21 -0.36 1.01 -1.26 -4.45 120.40 124.22 1b9f s VAL 110 Ca 0.46 1.31 -0.02 0.00 0.00 0.00 0.00 61.98 63.74 1b9f s VAL 110 Cb 0.00 -4.18 -0.12 0.00 0.00 0.00 0.00 36.38 32.08 1b9f s VAL 110 CO -0.05 -0.26 -0.21 2.29 0.00 0.00 0.00 175.10 176.87 1b9f n LYS 111 N 6.28 0.50 -3.99 2.72 2.85 0.10 -4.65 118.16 121.97 1b9f n LYS 111 Ca 0.05 0.14 -0.10 0.00 -1.05 0.00 0.00 58.31 57.35 1b9f n LYS 111 Cb 0.48 -1.38 -0.11 0.00 -0.65 0.00 0.00 35.03 33.37 1b9f n LYS 111 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 1b9f s THR 112 N -2.41 0.18 -0.05 0.58 -4.23 -0.83 -1.42 115.64 107.46 1b9f s THR 112 Ca -0.29 -0.85 0.04 0.00 -1.18 0.00 0.00 61.69 59.42 1b9f s THR 112 Cb 0.08 -0.30 -0.00 0.00 1.34 0.00 0.00 72.50 73.62 1b9f s THR 112 CO 0.45 -0.42 -0.16 -0.69 -0.54 0.00 0.00 174.62 173.26 1b9f s VAL 113 N -1.29 1.39 0.18 2.29 1.01 -0.72 -1.71 120.40 121.54 1b9f s VAL 113 Ca -0.13 -0.68 0.10 0.00 0.00 0.00 0.00 61.98 61.27 1b9f s VAL 113 Cb -0.09 -1.20 -0.04 0.00 0.00 0.00 0.00 36.38 35.05 1b9f s VAL 113 CO -0.01 0.40 -0.14 -2.28 0.00 0.00 0.00 175.10 173.08 1b9f s HIS 114 N 0.16 2.54 0.11 5.22 5.04 0.26 -1.20 115.29 127.42 1b9f s HIS 114 Ca -0.06 -0.26 -0.05 0.00 -1.54 0.00 0.00 55.06 53.15 1b9f s HIS 114 Cb -0.12 -1.25 -0.02 0.00 0.04 0.00 0.00 32.58 31.23 1b9f s HIS 114 CO 0.03 0.51 0.13 -0.08 -2.34 0.00 0.00 174.74 172.98 1b9f s THR 115 N -1.69 0.13 -2.17 0.89 -1.32 -1.26 -1.33 115.64 108.88 1b9f s THR 115 Ca 0.24 -1.57 0.23 0.00 -1.21 0.00 0.00 61.69 59.37 1b9f s THR 115 Cb -0.09 -1.70 0.56 0.00 -1.51 0.00 0.00 72.50 69.77 1b9f s THR 115 CO 0.14 -0.59 1.49 0.47 -2.21 0.00 0.00 174.62 173.92 1b9f n ASP 116 N -0.07 3.70 -3.58 8.08 8.00 -1.26 -4.58 116.55 126.84 1b9f n ASP 116 Ca -0.10 -1.99 -0.29 0.00 0.71 0.00 0.00 54.79 53.11 1b9f n ASP 116 Cb 0.63 -0.40 -0.12 0.00 -0.02 0.00 0.00 41.12 41.21 1b9f n ASP 116 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1b9f s ASN 117 N -1.18 3.21 0.41 -2.24 3.04 -1.26 -5.00 114.94 111.92 1b9f s ASN 117 Ca 0.45 -2.48 0.13 0.00 0.04 0.00 0.00 52.86 51.00 1b9f s ASN 117 Cb 0.24 -0.72 0.98 0.00 -1.54 0.00 0.00 41.25 40.22 1b9f s ASN 117 CO 0.32 -0.28 1.94 1.23 -3.04 0.00 0.00 177.10 177.28 1b9f h GLY 118 N 6.75 0.74 1.93 1.21 0.00 -2.00 -0.98 103.07 110.73 1b9f h GLY 118 Ca 0.04 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.18 1b9f h GLY 118 CO 0.38 0.10 0.03 1.48 0.00 0.00 0.00 176.54 178.53 1b9f h SER 119 N 0.49 0.00 -0.20 0.19 4.64 -1.99 -1.92 113.55 114.77 1b9f h SER 119 Ca 0.34 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.72 1b9f h SER 119 Cb 0.65 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.74 1b9f h SER 119 CO -0.11 0.00 0.19 0.78 -0.87 0.00 0.00 176.83 176.82 1b9f h ASN 120 N 0.00 0.00 -0.32 4.97 2.35 -1.61 -2.68 115.58 118.29 1b9f h ASN 120 Ca 0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1b9f h ASN 120 Cb 0.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.44 1b9f h ASN 120 CO -0.00 0.00 0.00 0.49 -1.65 0.00 0.00 177.43 176.27 1b9f n PHE 121 N -3.96 1.07 0.06 1.19 3.72 -0.72 -4.71 117.46 114.10 1b9f n PHE 121 Ca 0.02 -0.82 -0.11 0.00 -0.05 0.00 0.00 57.45 56.49 1b9f n PHE 121 Cb 0.32 -0.31 -0.01 0.00 -0.94 0.00 0.00 39.48 38.54 1b9f n PHE 121 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1b9f h THR 122 N 2.18 1.39 -4.09 4.37 1.03 -1.63 -3.41 112.91 112.75 1b9f h THR 122 Ca 0.00 -2.28 -0.53 0.00 -0.01 0.00 0.00 66.41 63.59 1b9f h THR 122 Cb 1.46 2.24 0.12 0.00 -1.07 0.00 0.00 68.15 70.90 1b9f h THR 122 CO 0.24 0.68 0.50 -0.94 -0.01 0.00 0.00 175.52 175.99 1b9f s SER 123 N -7.02 5.16 0.24 0.00 1.04 -1.26 -4.84 113.70 107.02 1b9f s SER 123 Ca -0.06 2.47 -0.06 0.00 0.48 0.00 0.00 55.95 58.78 1b9f s SER 123 Cb 0.10 -2.61 0.41 0.00 0.10 0.00 0.00 66.02 64.02 1b9f s SER 123 CO 0.85 -1.62 1.72 0.74 0.98 0.00 0.00 173.24 175.92 1b9f h THR 124 N 0.96 0.65 -0.64 2.02 2.02 -1.99 -1.83 112.91 114.10 1b9f h THR 124 Ca -0.51 -0.14 -0.07 0.00 0.77 0.00 0.00 66.41 66.47 1b9f h THR 124 Cb 1.30 0.22 -0.03 0.00 -1.74 0.00 0.00 68.15 67.91 1b9f h THR 124 CO 0.55 0.07 0.13 0.71 0.37 0.00 0.00 175.52 177.36 1b9f h THR 125 N 0.40 1.25 -0.34 3.16 1.35 -1.90 0.25 112.91 117.07 1b9f h THR 125 Ca 0.39 -0.95 -0.17 0.00 -0.55 0.00 0.00 66.41 65.13 1b9f h THR 125 Cb 0.58 0.62 -0.00 0.00 -1.73 0.00 0.00 68.15 67.62 1b9f h THR 125 CO -0.40 0.36 -0.46 0.58 -0.25 0.00 0.00 175.52 175.34 1b9f h VAL 126 N 0.96 1.27 -0.72 6.82 2.07 -1.72 -2.14 116.25 122.79 1b9f h VAL 126 Ca 0.20 -1.64 -0.01 0.00 0.82 0.00 0.00 66.70 66.07 1b9f h VAL 126 Cb 0.37 1.49 -0.03 0.00 -1.52 0.00 0.00 31.29 31.60 1b9f h VAL 126 CO 0.00 0.54 0.39 0.11 0.02 0.00 0.00 177.57 178.64 1b9f h LYS 127 N 0.73 1.00 -0.61 1.57 1.57 -1.01 -1.00 116.57 118.83 1b9f h LYS 127 Ca 0.04 -0.11 -0.07 0.00 -1.87 0.00 0.00 60.65 58.64 1b9f h LYS 127 Cb 1.07 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 33.15 1b9f h LYS 127 CO 0.11 0.74 0.11 0.00 -0.57 0.00 0.00 179.45 179.83 1b9f h ALA 128 N 1.42 0.80 -0.52 3.86 0.00 -0.34 0.60 119.26 125.09 1b9f h ALA 128 Ca 0.26 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1b9f h ALA 128 Cb 0.03 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1b9f h ALA 128 CO -0.04 0.55 0.08 0.00 0.00 0.00 0.00 179.25 179.84 1b9f h ALA 129 N 1.02 0.69 -0.54 0.00 0.00 -0.71 0.56 119.26 120.28 1b9f h ALA 129 Ca 0.19 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1b9f h ALA 129 Cb 0.41 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1b9f h ALA 129 CO 0.01 0.43 0.19 0.00 0.00 0.00 0.00 179.25 179.88 1b9f h TRP 131 N 0.74 -0.40 -0.31 0.00 7.01 -0.64 0.33 115.95 122.69 1b9f h TRP 131 Ca 0.18 0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.18 1b9f h TRP 131 Cb 0.25 0.16 -0.01 0.00 -2.10 0.00 0.00 29.16 27.46 1b9f h TRP 131 CO 0.01 -0.23 0.17 2.35 -2.79 0.00 0.00 178.44 177.95 1b9f h TRP 132 N -0.30 0.42 0.00 2.65 7.01 -0.69 -2.81 115.95 122.23 1b9f h TRP 132 Ca 0.02 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.01 1b9f h TRP 132 Cb 0.32 -0.14 0.00 0.00 -2.10 0.00 0.00 29.16 27.24 1b9f h TRP 132 CO -0.16 0.34 0.00 0.00 -2.79 0.00 0.00 178.44 175.83 1b9f n ALA 133 N -2.22 2.40 -2.30 2.65 0.00 -0.55 -4.91 120.51 115.57 1b9f n ALA 133 Ca -0.01 -0.13 -0.03 0.00 0.00 0.00 0.00 53.44 53.27 1b9f n ALA 133 Cb 0.08 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.06 1b9f n ALA 133 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b9f n GLY 134 N 1.29 0.44 3.90 0.00 0.00 -0.24 -5.01 105.19 105.58 1b9f n GLY 134 Ca 0.12 -0.67 -0.33 0.00 0.00 0.00 0.00 46.02 45.14 1b9f n GLY 134 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1b9f s ILE 135 N -2.51 5.37 0.17 -0.61 1.01 -0.06 -4.87 121.20 119.71 1b9f s ILE 135 Ca 0.03 -0.15 0.11 0.00 0.00 0.00 0.00 60.65 60.64 1b9f s ILE 135 Cb -0.02 -3.58 -0.04 0.00 0.01 0.00 0.00 42.46 38.83 1b9f s ILE 135 CO 0.04 0.25 -0.23 -0.54 0.00 0.00 0.00 174.94 174.47 1b9f s LYS 136 N -2.13 1.43 0.14 2.79 -0.14 -0.51 -4.52 119.74 116.79 1b9f s LYS 136 Ca 0.31 -1.46 -0.22 0.00 -1.36 0.00 0.00 55.97 53.24 1b9f s LYS 136 Cb -0.13 -1.72 -0.08 0.00 -1.68 0.00 0.00 37.83 34.23 1b9f s LYS 136 CO 0.21 0.38 0.69 -1.14 -0.76 0.00 0.00 175.35 174.73 1b9f s GLN 137 N -2.56 4.39 -0.45 1.68 0.74 -1.26 -1.76 119.66 120.42 1b9f s GLN 137 Ca 0.18 0.96 -0.20 0.00 0.05 0.00 0.00 55.36 56.35 1b9f s GLN 137 Cb -0.08 -3.20 0.03 0.00 1.10 0.00 0.00 33.01 30.86 1b9f s GLN 137 CO 0.08 0.57 0.60 -2.00 -0.55 0.00 0.00 175.29 174.00 1b9f s GLU 138 N -1.26 3.20 -0.33 1.67 2.56 -0.34 -4.83 118.70 119.38 1b9f s GLU 138 Ca 0.34 -0.58 -0.29 0.00 0.00 0.00 0.00 54.97 54.44 1b9f s GLU 138 Cb -0.21 -3.99 0.01 0.00 2.00 0.00 0.00 34.13 31.94 1b9f s GLU 138 CO 0.23 -1.04 1.26 -0.06 -0.56 0.00 0.00 175.26 175.08 1b9f s PHE 139 N 2.65 2.75 0.00 5.30 0.08 -1.26 -4.51 117.98 123.00 1b9f s PHE 139 Ca 0.19 0.89 0.00 0.00 0.12 0.00 0.00 56.93 58.13 1b9f s PHE 139 Cb -0.16 -3.96 0.00 0.00 -0.57 0.00 0.00 43.02 38.33 1b9f s PHE 139 CO 0.16 -1.53 0.00 0.00 -0.10 0.00 0.00 175.22 173.76 1b9f n ALA 140 N 7.62 0.00 -0.10 5.36 0.00 -1.26 -4.67 120.51 127.45 1b9f n ALA 140 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1b9f n ALA 140 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 1b9f n ALA 140 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1b9f n ILE 141 N -1.03 0.00 -3.30 0.00 -0.00 -1.26 0.31 119.36 114.08 1b9f n ILE 141 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 62.75 62.58 1b9f n ILE 141 Cb 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 39.64 39.70 1b9f n ILE 141 CO 0.00 0.00 0.00 -0.81 -0.00 0.00 0.00 176.55 175.74 1b9f n PRO 142 N 0.25 -5.81 -1.25 6.28 -0.04 -1.26 -4.79 135.00 128.38 1b9f n PRO 142 Ca 0.00 0.60 -0.60 0.00 -0.04 0.00 0.00 63.50 63.47 1b9f n PRO 142 Cb 0.00 -4.97 -0.12 0.00 -0.04 0.00 0.00 33.50 28.37 1b9f n PRO 142 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1b9f n TYR 143 N -4.33 1.16 -1.34 0.54 0.53 0.15 -4.49 117.16 109.37 1b9f n TYR 143 Ca 0.01 0.77 -0.52 0.00 -1.02 0.00 0.00 57.90 57.13 1b9f n TYR 143 Cb 0.54 -2.28 -0.07 0.00 -1.03 0.00 0.00 39.34 36.50 1b9f n TYR 143 CO 0.00 0.00 0.00 -1.71 -1.02 0.00 0.00 176.86 174.13 1b9f n ASN 144 N 7.45 0.61 -0.25 7.72 4.05 -1.26 -4.64 115.26 128.93 1b9f n ASN 144 Ca 0.55 0.96 0.04 0.00 0.45 0.00 0.00 54.58 56.58 1b9f n ASN 144 Cb -0.04 -0.73 0.17 0.00 1.23 0.00 0.00 39.78 40.42 1b9f n ASN 144 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 177.26 173.56 1b9f h PRO 145 N 3.44 0.43 -0.27 1.20 0.11 -2.00 0.24 132.00 135.15 1b9f h PRO 145 Ca -0.38 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.68 1b9f h PRO 145 Cb 1.13 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 1b9f h PRO 145 CO 0.69 0.28 0.05 1.96 -0.21 0.00 0.00 178.00 180.78 1b9f h GLN 146 N 0.44 0.45 -0.28 1.05 7.50 -1.99 -2.66 115.11 119.62 1b9f h GLN 146 Ca 0.40 -0.12 0.02 0.00 0.50 0.00 0.00 58.65 59.46 1b9f h GLN 146 Cb 0.59 -0.05 -0.03 0.00 0.05 0.00 0.00 27.48 28.04 1b9f h GLN 146 CO -0.39 0.56 0.12 0.77 -1.50 0.00 0.00 178.83 178.38 1b9f h SER 147 N 0.27 0.16 -0.50 1.46 0.02 -1.49 -1.84 113.55 111.62 1b9f h SER 147 Ca 0.08 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.03 1b9f h SER 147 Cb 0.32 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.83 1b9f h SER 147 CO 0.00 0.13 0.26 1.56 -1.14 0.00 0.00 176.83 177.64 1b9f h GLN 148 N 0.26 0.75 -0.38 3.45 4.20 -0.59 -1.87 115.11 120.93 1b9f h GLN 148 Ca 0.12 -0.09 -0.07 0.00 0.06 0.00 0.00 58.65 58.66 1b9f h GLN 148 Cb 0.06 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.68 1b9f h GLN 148 CO -0.10 0.59 -0.07 0.00 -0.67 0.00 0.00 178.83 178.58 1b9f h ALA 149 N 1.53 1.16 0.19 3.87 0.00 -1.04 -1.70 119.26 123.26 1b9f h ALA 149 Ca 0.19 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1b9f h ALA 149 Cb 0.08 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1b9f h ALA 149 CO -0.03 0.54 -0.09 0.28 0.00 0.00 0.00 179.25 179.95 1b9f h VAL 150 N 0.60 0.88 -0.62 0.00 2.07 -0.56 -2.35 116.25 116.27 1b9f h VAL 150 Ca 0.11 -0.32 0.06 0.00 0.82 0.00 0.00 66.70 67.37 1b9f h VAL 150 Cb 0.49 1.08 -0.06 0.00 -1.52 0.00 0.00 31.29 31.28 1b9f h VAL 150 CO 0.03 0.07 0.31 0.40 0.02 0.00 0.00 177.57 178.41 1b9f h ILE 151 N -0.41 0.92 -0.45 4.57 2.04 -1.29 0.21 117.51 123.10 1b9f h ILE 151 Ca -0.03 -0.20 -0.14 0.00 1.00 0.00 0.00 64.86 65.50 1b9f h ILE 151 Cb 0.32 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 1b9f h ILE 151 CO 0.04 0.11 -0.27 -0.33 0.00 0.00 0.00 178.15 177.70 1b9f h GLU 152 N 0.58 0.97 -0.39 2.37 5.08 -1.35 -1.65 114.58 120.18 1b9f h GLU 152 Ca 0.28 -0.44 -0.06 0.00 -1.00 0.00 0.00 59.36 58.15 1b9f h GLU 152 Cb 0.22 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1b9f h GLU 152 CO -0.20 1.11 0.02 1.03 -1.00 0.00 0.00 179.01 179.96 1b9f h SER 153 N 0.82 0.66 -0.50 1.42 0.87 -0.86 0.22 113.55 116.17 1b9f h SER 153 Ca 0.09 -0.30 -0.13 0.00 -1.23 0.00 0.00 61.79 60.23 1b9f h SER 153 Cb 0.85 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.62 1b9f h SER 153 CO 0.08 0.79 -0.20 0.24 -0.53 0.00 0.00 176.83 177.21 1b9f h MET 154 N 0.51 1.01 -0.26 2.24 2.86 -0.59 -0.99 114.93 119.71 1b9f h MET 154 Ca 0.11 -0.42 -0.02 0.00 -2.06 0.00 0.00 59.70 57.31 1b9f h MET 154 Cb 0.44 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.05 1b9f h MET 154 CO 0.02 1.10 0.10 -0.91 1.06 0.00 0.00 176.91 178.28 1b9f h ASN 155 N 0.87 0.36 -0.35 1.22 4.21 -1.19 -0.78 115.58 119.92 1b9f h ASN 155 Ca 0.12 -0.17 0.06 0.00 1.21 0.00 0.00 56.30 57.51 1b9f h ASN 155 Cb 0.78 -0.09 -0.05 0.00 -1.12 0.00 0.00 38.32 37.83 1b9f h ASN 155 CO 0.06 0.43 0.04 0.11 -1.29 0.00 0.00 177.43 176.79 1b9f h LYS 156 N 0.26 0.15 -0.64 0.81 1.57 -0.42 -2.19 116.57 116.11 1b9f h LYS 156 Ca 0.09 -0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.89 1b9f h LYS 156 Cb 0.18 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.42 1b9f h LYS 156 CO -0.01 0.10 0.38 1.49 -0.57 0.00 0.00 179.45 180.85 1b9f h GLU 157 N 0.16 0.72 -0.43 3.15 4.81 -1.00 -2.33 114.58 119.65 1b9f h GLU 157 Ca 0.17 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.35 1b9f h GLU 157 Cb 0.21 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 1b9f h GLU 157 CO -0.25 0.48 0.24 1.25 -0.73 0.00 0.00 179.01 180.00 1b9f h LEU 158 N 0.74 0.54 -1.45 1.64 5.85 -0.76 -0.97 115.31 120.90 1b9f h LEU 158 Ca 0.27 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.88 1b9f h LEU 158 Cb 0.07 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 1b9f h LEU 158 CO -0.12 0.46 0.09 0.50 -0.34 0.00 0.00 178.44 179.03 1b9f h LYS 159 N 0.57 0.45 -0.16 1.25 1.63 -1.18 -0.49 116.57 118.63 1b9f h LYS 159 Ca 0.15 -0.06 -0.04 0.00 -0.85 0.00 0.00 60.65 59.85 1b9f h LYS 159 Cb 0.04 -0.08 -0.00 0.00 -0.60 0.00 0.00 32.23 31.59 1b9f h LYS 159 CO -0.03 0.41 -0.07 -0.22 -3.45 0.00 0.00 179.45 176.09 1b9f h LYS 160 N 0.44 0.34 -0.76 1.90 3.64 -1.06 -2.67 116.57 118.40 1b9f h LYS 160 Ca 0.11 -0.14 -0.05 0.00 -1.27 0.00 0.00 60.65 59.30 1b9f h LYS 160 Cb 0.16 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.93 1b9f h LYS 160 CO -0.01 0.65 0.30 0.82 -2.27 0.00 0.00 179.45 178.94 1b9f h ILE 161 N 0.02 1.26 -0.47 2.00 2.04 -0.77 -1.99 117.51 119.60 1b9f h ILE 161 Ca 0.04 -0.81 0.08 0.00 1.00 0.00 0.00 64.86 65.16 1b9f h ILE 161 Cb 0.54 0.36 -0.06 0.00 -0.74 0.00 0.00 36.82 36.92 1b9f h ILE 161 CO 0.02 0.33 0.10 0.40 0.00 0.00 0.00 178.15 179.01 1b9f h ILE 162 N 1.10 0.76 -0.73 -0.67 2.04 -1.00 -1.14 117.51 117.88 1b9f h ILE 162 Ca 0.25 -0.08 0.04 0.00 1.00 0.00 0.00 64.86 66.07 1b9f h ILE 162 Cb 0.22 0.49 -0.05 0.00 -0.74 0.00 0.00 36.82 36.75 1b9f h ILE 162 CO -0.02 0.04 0.45 1.23 0.00 0.00 0.00 178.15 179.85 1b9f h GLY 163 N 0.24 1.06 1.56 5.37 0.00 -1.12 0.27 103.07 110.45 1b9f h GLY 163 Ca 0.23 -0.33 -0.06 0.00 0.00 0.00 0.00 47.33 47.17 1b9f h GLY 163 CO -0.29 0.26 -0.04 1.46 0.00 0.00 0.00 176.54 177.93 1b9f h GLN 164 N 0.86 0.54 -0.03 4.80 4.20 -0.56 -3.17 115.11 121.75 1b9f h GLN 164 Ca 0.30 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.88 1b9f h GLN 164 Cb 0.07 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1b9f h GLN 164 CO -0.13 0.59 -0.10 1.33 -0.67 0.00 0.00 178.83 179.85 1b9f n VAL 165 N -4.25 0.00 -0.27 -0.54 0.24 -0.52 -4.69 118.33 108.30 1b9f n VAL 165 Ca 0.01 -0.45 0.05 0.00 -2.04 0.00 0.00 64.34 61.92 1b9f n VAL 165 Cb 0.27 1.43 0.19 0.00 -1.47 0.00 0.00 33.84 34.27 1b9f n VAL 165 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 1b9f h ARG 166 N 4.06 0.50 -0.11 7.34 9.65 -0.91 0.67 114.38 135.58 1b9f h ARG 166 Ca 0.00 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.85 1b9f h ARG 166 Cb 0.91 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 29.38 1b9f h ARG 166 CO 0.00 0.33 0.00 -0.25 2.80 0.00 0.00 179.97 182.85 1b9f n ASP 167 N -4.94 0.66 -0.84 -3.80 9.92 -1.26 -2.99 116.55 113.29 1b9f n ASP 167 Ca 0.15 -1.87 0.12 0.00 -0.53 0.00 0.00 54.79 52.66 1b9f n ASP 167 Cb 0.41 -0.07 0.23 0.00 -0.64 0.00 0.00 41.12 41.05 1b9f n ASP 167 CO 0.00 0.00 0.00 1.67 0.13 0.00 0.00 177.20 179.00 1b9f n GLN 168 N -0.20 2.15 -4.20 -1.24 7.27 0.23 -4.87 117.38 116.53 1b9f n GLN 168 Ca 0.07 -1.68 -0.16 0.00 0.07 0.00 0.00 57.00 55.30 1b9f n GLN 168 Cb 0.12 -1.47 -0.14 0.00 2.41 0.00 0.00 30.24 31.17 1b9f n GLN 168 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1b9f s ALA 169 N -1.95 0.59 -0.02 1.69 0.00 -1.16 -5.04 121.76 115.88 1b9f s ALA 169 Ca 0.32 -0.43 -0.24 0.00 0.00 0.00 0.00 51.96 51.61 1b9f s ALA 169 Cb 0.20 -0.10 -0.17 0.00 0.00 0.00 0.00 23.12 23.06 1b9f s ALA 169 CO 0.31 0.10 1.12 0.93 0.00 0.00 0.00 175.76 178.22 1b9f h GLU 170 N 5.56 -0.26 -6.32 0.00 3.07 -1.89 -3.45 114.58 111.28 1b9f h GLU 170 Ca -0.31 0.02 -0.56 0.00 -0.50 0.00 0.00 59.36 58.01 1b9f h GLU 170 Cb 1.19 0.06 -0.04 0.00 -0.84 0.00 0.00 28.75 29.12 1b9f h GLU 170 CO 0.47 0.12 -0.12 -1.01 -1.40 0.00 0.00 179.01 177.07 1b9f s HIS 171 N -4.18 3.56 0.28 4.33 3.76 -1.26 -4.99 115.29 116.78 1b9f s HIS 171 Ca -0.14 0.97 -0.02 0.00 -0.15 0.00 0.00 55.06 55.72 1b9f s HIS 171 Cb 0.02 -2.31 0.43 0.00 1.11 0.00 0.00 32.58 31.82 1b9f s HIS 171 CO 0.54 0.40 1.93 1.25 -0.85 0.00 0.00 174.74 178.01 1b9f h LEU 172 N 3.32 1.00 -1.39 0.89 5.85 -1.94 -2.16 115.31 120.88 1b9f h LEU 172 Ca -0.48 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.20 1b9f h LEU 172 Cb 1.19 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.97 1b9f h LEU 172 CO 0.67 0.68 0.13 0.07 -0.34 0.00 0.00 178.44 179.65 1b9f h LYS 173 N 1.16 0.54 -0.15 1.25 2.10 -1.98 -0.31 116.57 119.17 1b9f h LYS 173 Ca 0.37 -0.07 -0.02 0.00 -2.00 0.00 0.00 60.65 58.92 1b9f h LYS 173 Cb 0.02 -0.10 -0.01 0.00 -0.90 0.00 0.00 32.23 31.25 1b9f h LYS 173 CO -0.11 0.47 0.02 1.15 -2.00 0.00 0.00 179.45 178.98 1b9f h THR 174 N 0.53 1.22 -0.26 0.07 2.02 -1.81 -2.09 112.91 112.59 1b9f h THR 174 Ca 0.13 -0.72 -0.01 0.00 0.77 0.00 0.00 66.41 66.57 1b9f h THR 174 Cb 0.15 1.41 -0.01 0.00 -1.74 0.00 0.00 68.15 67.96 1b9f h THR 174 CO -0.01 0.22 0.10 0.00 0.37 0.00 0.00 175.52 176.19 1b9f h ALA 175 N 0.80 1.69 -0.55 6.16 0.00 -0.91 -0.59 119.26 125.86 1b9f h ALA 175 Ca 0.05 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1b9f h ALA 175 Cb 0.31 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1b9f h ALA 175 CO 0.00 0.25 0.13 0.28 0.00 0.00 0.00 179.25 179.92 1b9f h VAL 176 N 0.36 1.24 0.00 0.00 2.07 -0.86 0.44 116.25 119.50 1b9f h VAL 176 Ca 0.09 -0.87 -0.08 0.00 0.82 0.00 0.00 66.70 66.66 1b9f h VAL 176 Cb 0.09 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1b9f h VAL 176 CO -0.01 0.32 -0.38 1.56 0.02 0.00 0.00 177.57 179.08 1b9f h GLN 177 N 0.77 0.00 -0.43 1.57 1.08 -0.67 -0.71 115.11 116.72 1b9f h GLN 177 Ca 0.17 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 57.25 1b9f h GLN 177 Cb 0.34 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.75 1b9f h GLN 177 CO 0.00 0.38 -0.22 0.52 -0.95 0.00 0.00 178.83 178.56 1b9f h MET 178 N 0.00 0.88 -0.55 1.46 2.86 -0.66 -1.80 114.93 117.12 1b9f h MET 178 Ca -0.00 -0.36 -0.06 0.00 -2.06 0.00 0.00 59.70 57.21 1b9f h MET 178 Cb 0.97 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.58 1b9f h MET 178 CO 0.05 1.01 0.10 0.00 1.06 0.00 0.00 176.91 179.13 1b9f h ALA 179 N 0.98 1.15 -0.35 6.32 0.00 -0.48 -0.45 119.26 126.43 1b9f h ALA 179 Ca 0.10 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1b9f h ALA 179 Cb 0.76 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1b9f h ALA 179 CO 0.06 0.57 0.12 0.28 0.00 0.00 0.00 179.25 180.28 1b9f h VAL 180 N 0.82 1.20 -0.46 0.00 2.07 -0.95 -0.07 116.25 118.86 1b9f h VAL 180 Ca 0.17 -0.65 0.01 0.00 0.82 0.00 0.00 66.70 67.06 1b9f h VAL 180 Cb 0.35 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 1b9f h VAL 180 CO 0.00 0.22 0.29 0.15 0.02 0.00 0.00 177.57 178.26 1b9f h PHE 181 N 0.42 0.55 -0.16 1.57 3.04 -1.05 -0.33 116.94 120.97 1b9f h PHE 181 Ca 0.12 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.07 1b9f h PHE 181 Cb 0.23 -0.18 -0.01 0.00 2.56 0.00 0.00 35.95 38.55 1b9f h PHE 181 CO 0.00 0.33 0.05 0.82 -2.02 0.00 0.00 178.31 177.49 1b9f h ILE 182 N 0.59 1.18 -0.18 1.41 2.04 -0.71 -2.26 117.51 119.58 1b9f h ILE 182 Ca 0.18 -0.57 0.05 0.00 1.00 0.00 0.00 64.86 65.52 1b9f h ILE 182 Cb -0.02 1.25 -0.06 0.00 -0.74 0.00 0.00 36.82 37.25 1b9f h ILE 182 CO -0.06 0.17 -0.19 -0.74 0.00 0.00 0.00 178.15 177.33 1b9f h HIS 183 N 0.09 -0.49 0.00 1.37 2.76 -0.86 -2.14 115.15 115.88 1b9f h HIS 183 Ca 0.05 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.23 1b9f h HIS 183 Cb 0.22 0.25 -0.00 0.00 1.55 0.00 0.00 27.41 29.43 1b9f h HIS 183 CO -0.00 -0.27 -0.13 -0.91 -1.30 0.00 0.00 177.93 175.33 1b9f h ASN 184 N -0.22 0.00 0.08 3.26 2.35 -0.92 -2.98 115.58 117.15 1b9f h ASN 184 Ca 0.12 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 1b9f h ASN 184 Cb 0.39 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.76 1b9f h ASN 184 CO -0.31 0.13 -0.39 0.29 -1.65 0.00 0.00 177.43 175.49 1b9f n LYS 185 N -3.26 1.08 -2.40 0.81 5.02 -0.86 -1.32 118.16 117.23 1b9f n LYS 185 Ca 0.00 -0.82 -0.43 0.00 -2.02 0.00 0.00 58.31 55.05 1b9f n LYS 185 Cb 0.38 -1.48 -0.02 0.00 -0.02 0.00 0.00 35.03 33.89 1b9f n LYS 185 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1b9f s LYS 186 N -2.48 4.24 0.08 1.97 2.20 -0.82 -4.74 119.74 120.19 1b9f s LYS 186 Ca 0.21 1.70 -0.30 0.00 -0.36 0.00 0.00 55.97 57.21 1b9f s LYS 186 Cb 0.19 -3.76 -0.05 0.00 -1.51 0.00 0.00 37.83 32.69 1b9f s LYS 186 CO 0.55 -0.69 0.98 1.03 -0.36 0.00 0.00 175.35 176.85 1b9f s ARG 187 N 3.42 4.65 -0.09 4.03 0.52 -1.26 -4.03 118.95 126.19 1b9f s ARG 187 Ca 0.56 1.46 0.14 0.00 -0.52 0.00 0.00 55.73 57.37 1b9f s ARG 187 Cb -0.23 -3.39 0.21 0.00 0.52 0.00 0.00 34.95 32.06 1b9f s ARG 187 CO 0.16 0.13 1.10 1.63 0.02 0.00 0.00 175.30 178.34 1b9f n LYS 188 N 3.09 1.42 0.00 3.54 5.02 -1.26 -4.92 118.16 125.04 1b9f n LYS 188 Ca 0.03 -2.21 0.00 0.00 -2.02 0.00 0.00 58.31 54.12 1b9f n LYS 188 Cb 0.49 -1.30 0.00 0.00 -0.02 0.00 0.00 35.03 34.20 1b9f n LYS 188 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1b9f n GLY 193 N -1.12 3.75 3.50 0.72 0.00 -1.26 -4.90 105.19 105.89 1b9f n GLY 193 Ca 0.11 -1.65 -0.25 0.00 0.00 0.00 0.00 46.02 44.24 1b9f n GLY 193 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1b9f s TYR 194 N -2.17 2.32 0.61 1.61 2.02 -1.26 -5.15 117.35 115.32 1b9f s TYR 194 Ca 0.00 -0.44 -0.06 0.00 -0.37 0.00 0.00 57.07 56.21 1b9f s TYR 194 Cb 0.00 -1.19 0.02 0.00 -0.40 0.00 0.00 41.96 40.39 1b9f s TYR 194 CO 0.00 0.62 0.91 -1.54 -1.57 0.00 0.00 175.55 173.98 1b9f s SER 195 N -3.55 5.44 0.32 2.29 1.04 -1.26 -4.60 113.70 113.38 1b9f s SER 195 Ca 0.31 0.63 0.01 0.00 0.48 0.00 0.00 55.95 57.38 1b9f s SER 195 Cb -0.01 -1.55 0.57 0.00 0.10 0.00 0.00 66.02 65.12 1b9f s SER 195 CO 0.15 -1.16 1.95 0.00 0.98 0.00 0.00 173.24 175.17 1b9f h ALA 196 N -0.23 1.53 -0.62 5.32 0.00 -1.70 -0.63 119.26 122.93 1b9f h ALA 196 Ca -0.45 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.36 1b9f h ALA 196 Cb 1.27 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 1b9f h ALA 196 CO 0.60 0.38 0.14 0.78 0.00 0.00 0.00 179.25 181.16 1b9f h GLY 197 N 0.97 1.07 0.99 0.00 0.00 -1.53 0.10 103.07 104.68 1b9f h GLY 197 Ca 0.32 -0.68 -0.07 0.00 0.00 0.00 0.00 47.33 46.91 1b9f h GLY 197 CO -0.10 0.63 0.04 0.83 0.00 0.00 0.00 176.54 177.95 1b9f h GLU 198 N 0.91 0.83 -0.28 4.80 5.08 -1.63 -3.04 114.58 121.26 1b9f h GLU 198 Ca 0.19 -0.24 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1b9f h GLU 198 Cb 0.37 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1b9f h GLU 198 CO 0.00 0.85 0.14 0.00 -1.00 0.00 0.00 179.01 179.00 1b9f h ARG 199 N 0.69 0.39 -0.39 2.33 3.08 -0.75 -2.15 114.38 117.60 1b9f h ARG 199 Ca 0.14 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 1b9f h ARG 199 Cb 0.45 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 1b9f h ARG 199 CO 0.02 0.37 0.20 0.97 -1.07 0.00 0.00 179.97 180.45 1b9f h ILE 200 N 0.32 1.16 -0.65 2.04 2.10 -0.80 -0.73 117.51 120.94 1b9f h ILE 200 Ca 0.10 -0.43 -0.06 0.00 1.08 0.00 0.00 64.86 65.55 1b9f h ILE 200 Cb 0.10 0.74 -0.03 0.00 -1.09 0.00 0.00 36.82 36.54 1b9f h ILE 200 CO -0.01 0.17 0.16 -0.37 -1.08 0.00 0.00 178.15 177.02 1b9f h VAL 201 N 0.49 1.25 0.00 2.19 -1.51 -1.45 -0.43 116.25 116.79 1b9f h VAL 201 Ca 0.13 -0.91 0.00 0.00 -1.23 0.00 0.00 66.70 64.70 1b9f h VAL 201 Cb 0.09 0.57 -0.01 0.00 -2.13 0.00 0.00 31.29 29.81 1b9f h VAL 201 CO -0.02 0.35 -0.02 -0.78 -1.23 0.00 0.00 177.57 175.87 1b9f h ASP 202 N 0.98 -0.06 -0.20 4.19 3.58 -1.10 -0.46 116.42 123.34 1b9f h ASP 202 Ca 0.21 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.67 1b9f h ASP 202 Cb 0.33 0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.40 1b9f h ASP 202 CO -0.00 -0.03 0.13 0.40 -2.88 0.00 0.00 179.24 176.86 1b9f h ILE 203 N -0.04 1.05 -0.38 2.25 2.04 -0.95 0.11 117.51 121.60 1b9f h ILE 203 Ca 0.01 -0.09 -0.14 0.00 1.00 0.00 0.00 64.86 65.63 1b9f h ILE 203 Cb 0.05 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 1b9f h ILE 203 CO -0.02 0.05 -0.32 0.40 0.00 0.00 0.00 178.15 178.25 1b9f h ILE 204 N 0.27 1.28 -0.50 -0.67 1.08 -1.02 -1.89 117.51 116.05 1b9f h ILE 204 Ca 0.07 -1.49 -0.05 0.00 -0.39 0.00 0.00 64.86 63.00 1b9f h ILE 204 Cb -0.03 1.38 -0.02 0.00 -3.07 0.00 0.00 36.82 35.08 1b9f h ILE 204 CO -0.02 0.50 0.10 0.00 -0.69 0.00 0.00 178.15 178.04 1b9f h ALA 205 N 0.77 0.66 -0.42 1.87 0.00 -0.94 -2.28 119.26 118.92 1b9f h ALA 205 Ca 0.07 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 1b9f h ALA 205 Cb 0.91 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1b9f h ALA 205 CO 0.08 0.38 0.04 1.15 0.00 0.00 0.00 179.25 180.90 1b9f h THR 206 N 0.70 1.21 0.00 0.00 2.02 -0.97 -2.24 112.91 113.64 1b9f h THR 206 Ca 0.16 -0.83 -0.03 0.00 0.77 0.00 0.00 66.41 66.48 1b9f h THR 206 Cb 0.36 0.85 -0.00 0.00 -1.74 0.00 0.00 68.15 67.62 1b9f h THR 206 CO 0.01 0.29 -0.12 -0.78 0.37 0.00 0.00 175.52 175.29 1b9f h ASP 207 N 0.63 0.00 -0.83 4.18 3.58 -0.93 -3.09 116.42 119.96 1b9f h ASP 207 Ca 0.14 0.00 0.02 0.00 0.42 0.00 0.00 57.03 57.60 1b9f h ASP 207 Cb 0.34 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.34 1b9f h ASP 207 CO 0.01 0.12 0.55 0.40 -2.88 0.00 0.00 179.24 177.44 1b9f h ILE 208 N 0.00 1.18 -2.70 2.25 2.04 -0.84 -3.38 117.51 116.06 1b9f h ILE 208 Ca -0.00 -0.38 -0.73 0.00 1.00 0.00 0.00 64.86 64.76 1b9f h ILE 208 Cb 0.52 -0.01 -0.20 0.00 -0.74 0.00 0.00 36.82 36.40 1b9f h ILE 208 CO 0.02 0.20 0.77 -1.10 0.00 0.00 0.00 178.15 178.04 1b9f s GLN 209 N -6.12 3.73 0.00 2.37 -0.21 -1.17 -5.15 119.66 113.12 1b9f s GLN 209 Ca -0.13 -2.15 0.00 0.00 0.02 0.00 0.00 55.36 53.11 1b9f s GLN 209 Cb 0.16 -4.83 0.00 0.00 1.00 0.00 0.00 33.01 29.34 1b9f s GLN 209 CO 0.79 -1.65 0.00 0.25 -2.12 0.00 0.00 175.29 172.56