#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i9r s ILE 2 N 0.00 3.87 -0.18 0.53 1.01 -1.26 -5.02 121.20 120.14 1i9r s ILE 2 Ca 0.00 1.64 0.01 0.00 0.00 0.00 0.00 60.65 62.30 1i9r s ILE 2 Cb 0.00 -3.95 0.02 0.00 0.01 0.00 0.00 42.46 38.54 1i9r s ILE 2 CO 0.00 0.21 -0.20 -0.69 0.00 0.00 0.00 174.94 174.26 1i9r s VAL 3 N -1.45 2.12 -0.18 2.92 1.01 -1.26 -4.82 120.40 118.73 1i9r s VAL 3 Ca 0.50 -0.92 -0.10 0.00 0.00 0.00 0.00 61.98 61.45 1i9r s VAL 3 Cb -0.24 -1.89 -0.05 0.00 0.00 0.00 0.00 36.38 34.21 1i9r s VAL 3 CO 0.30 0.54 0.14 -0.76 0.00 0.00 0.00 175.10 175.32 1i9r s LEU 4 N 1.25 4.24 -0.18 3.92 1.43 -1.22 -1.23 118.68 126.88 1i9r s LEU 4 Ca 0.04 0.29 0.01 0.00 -1.03 0.00 0.00 54.13 53.43 1i9r s LEU 4 Cb -0.13 -2.11 0.02 0.00 0.03 0.00 0.00 46.19 44.00 1i9r s LEU 4 CO -0.11 0.21 -0.19 -0.89 0.23 0.00 0.00 176.35 175.60 1i9r s THR 5 N 0.14 2.19 0.74 5.49 2.01 -0.00 -3.83 115.64 122.37 1i9r s THR 5 Ca 0.10 -0.90 -0.01 0.00 0.31 0.00 0.00 61.69 61.19 1i9r s THR 5 Cb -0.11 -1.92 0.14 0.00 0.01 0.00 0.00 72.50 70.61 1i9r s THR 5 CO -0.01 0.53 1.01 -1.10 -0.69 0.00 0.00 174.62 174.36 1i9r s GLN 6 N 1.28 1.60 0.00 4.92 -0.21 -1.26 -1.52 119.66 124.47 1i9r s GLN 6 Ca 0.04 -1.15 0.00 0.00 0.02 0.00 0.00 55.36 54.27 1i9r s GLN 6 Cb -0.13 -2.32 0.00 0.00 1.00 0.00 0.00 33.01 31.56 1i9r s GLN 6 CO -0.11 -1.51 0.00 0.45 -2.12 0.00 0.00 175.29 171.99 1i9r n SER 7 N -2.87 0.00 -4.73 5.90 2.88 -0.68 -4.67 113.62 109.44 1i9r n SER 7 Ca 0.16 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.40 1i9r n SER 7 Cb 0.61 0.00 0.14 0.00 -0.75 0.00 0.00 64.21 64.21 1i9r n SER 7 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1i9r s PRO 8 N -0.95 1.06 0.14 -1.46 0.04 -1.26 -1.68 135.00 130.89 1i9r s PRO 8 Ca 0.00 0.56 -0.06 0.00 0.04 0.00 0.00 61.00 61.54 1i9r s PRO 8 Cb 0.00 -1.81 -0.04 0.00 0.04 0.00 0.00 34.50 32.69 1i9r s PRO 8 CO 0.00 -2.31 1.37 0.00 0.04 0.00 0.00 177.00 176.10 1i9r h ALA 9 N -1.59 0.46 -3.67 8.56 0.00 -1.83 -3.42 119.26 117.77 1i9r h ALA 9 Ca -0.51 -0.61 -0.59 0.00 0.00 0.00 0.00 54.91 53.20 1i9r h ALA 9 Cb 1.31 -0.04 -0.32 0.00 0.00 0.00 0.00 17.79 18.74 1i9r h ALA 9 CO 0.58 0.73 -0.84 0.99 0.00 0.00 0.00 179.25 180.71 1i9r s THR 10 N -3.63 1.54 -0.21 0.00 2.01 -1.26 0.15 115.64 114.24 1i9r s THR 10 Ca -0.07 -0.75 0.00 0.00 0.31 0.00 0.00 61.69 61.18 1i9r s THR 10 Cb 0.10 -1.34 0.05 0.00 0.01 0.00 0.00 72.50 71.32 1i9r s THR 10 CO 0.87 0.44 -0.06 -0.22 -0.69 0.00 0.00 174.62 174.96 1i9r s LEU 11 N 0.24 2.22 -0.29 4.42 1.98 0.31 -4.92 118.68 122.64 1i9r s LEU 11 Ca -0.10 -0.97 -0.11 0.00 -2.89 0.00 0.00 54.13 50.06 1i9r s LEU 11 Cb -0.14 -1.11 -0.04 0.00 0.66 0.00 0.00 46.19 45.56 1i9r s LEU 11 CO 0.04 -0.20 0.19 -0.44 -1.89 0.00 0.00 176.35 174.05 1i9r s SER 12 N 1.47 5.97 0.19 3.68 0.01 -1.25 -0.40 113.70 123.36 1i9r s SER 12 Ca -0.03 -0.11 0.03 0.00 1.31 0.00 0.00 55.95 57.15 1i9r s SER 12 Cb -0.17 -2.11 -0.05 0.00 0.21 0.00 0.00 66.02 63.90 1i9r s SER 12 CO -0.07 -0.09 -0.01 0.54 0.41 0.00 0.00 173.24 174.02 1i9r s VAL 13 N 1.74 0.86 0.18 3.43 0.11 0.07 -4.57 120.40 122.23 1i9r s VAL 13 Ca 0.07 -2.01 0.08 0.00 -2.93 0.00 0.00 61.98 57.19 1i9r s VAL 13 Cb -0.16 -2.17 -0.04 0.00 -1.53 0.00 0.00 36.38 32.48 1i9r s VAL 13 CO 0.10 -0.45 -0.04 -0.94 -3.33 0.00 0.00 175.10 170.44 1i9r s SER 14 N -3.22 4.52 0.67 3.54 1.04 -1.26 0.41 113.70 119.40 1i9r s SER 14 Ca 0.25 -0.49 -0.17 0.00 0.48 0.00 0.00 55.95 56.01 1i9r s SER 14 Cb 0.05 -0.87 -0.02 0.00 0.10 0.00 0.00 66.02 65.29 1i9r s SER 14 CO 0.05 0.09 0.98 -2.65 0.98 0.00 0.00 173.24 172.69 1i9r n PRO 15 N -0.09 0.70 0.00 4.02 -0.02 -1.26 0.13 135.00 138.48 1i9r n PRO 15 Ca -0.10 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 1i9r n PRO 15 Cb 0.55 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 1i9r n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1i9r n GLY 16 N 1.18 2.86 3.82 -1.23 0.00 -0.22 -4.88 105.19 106.73 1i9r n GLY 16 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 1i9r n GLY 16 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1i9r s GLU 17 N -0.08 4.16 -0.00 1.61 2.12 0.34 -4.65 118.70 122.20 1i9r s GLU 17 Ca 0.00 0.71 -0.18 0.00 0.36 0.00 0.00 54.97 55.86 1i9r s GLU 17 Cb 0.00 -3.04 -0.06 0.00 0.26 0.00 0.00 34.13 31.30 1i9r s GLU 17 CO 0.00 0.52 0.50 0.50 -0.54 0.00 0.00 175.26 176.24 1i9r s ARG 18 N -1.64 4.16 -0.02 4.30 3.52 -1.26 -0.17 118.95 127.84 1i9r s ARG 18 Ca 0.36 0.57 0.05 0.00 -0.13 0.00 0.00 55.73 56.58 1i9r s ARG 18 Cb -0.17 -3.29 -0.01 0.00 -1.56 0.00 0.00 34.95 29.91 1i9r s ARG 18 CO 0.20 0.51 -0.16 0.00 -0.81 0.00 0.00 175.30 175.04 1i9r s ALA 19 N -0.58 1.31 -0.05 6.12 0.00 -1.17 -4.97 121.76 122.41 1i9r s ALA 19 Ca 0.27 -0.66 -0.02 0.00 0.00 0.00 0.00 51.96 51.55 1i9r s ALA 19 Cb -0.17 -0.35 0.03 0.00 0.00 0.00 0.00 23.12 22.63 1i9r s ALA 19 CO 0.15 0.31 0.05 0.95 0.00 0.00 0.00 175.76 177.22 1i9r s THR 20 N -0.30 -0.03 0.41 0.00 -4.23 -1.26 -1.56 115.64 108.68 1i9r s THR 20 Ca 0.04 0.34 0.00 0.00 -1.18 0.00 0.00 61.69 60.90 1i9r s THR 20 Cb -0.07 -0.24 -0.02 0.00 1.34 0.00 0.00 72.50 73.52 1i9r s THR 20 CO -0.00 0.17 0.63 -0.63 -0.54 0.00 0.00 174.62 174.24 1i9r s ILE 21 N 2.13 4.47 0.02 2.99 1.01 -0.19 -4.87 121.20 126.77 1i9r s ILE 21 Ca 0.05 -0.46 0.03 0.00 0.00 0.00 0.00 60.65 60.26 1i9r s ILE 21 Cb -0.12 -3.64 -0.02 0.00 0.01 0.00 0.00 42.46 38.69 1i9r s ILE 21 CO -0.04 -0.44 -0.08 -0.94 0.00 0.00 0.00 174.94 173.44 1i9r s SER 22 N -4.14 0.94 0.31 3.58 1.04 -0.67 -2.00 113.70 112.75 1i9r s SER 22 Ca 0.45 -0.37 0.10 0.00 0.48 0.00 0.00 55.95 56.62 1i9r s SER 22 Cb -0.10 -0.03 -0.06 0.00 0.10 0.00 0.00 66.02 65.94 1i9r s SER 22 CO 0.37 -0.06 -0.10 0.00 0.98 0.00 0.00 173.24 174.43 1i9r s ARG 24 N -3.60 0.17 0.03 0.00 0.52 -0.58 -2.06 118.95 113.43 1i9r s ARG 24 Ca 0.32 0.69 -0.19 0.00 -0.52 0.00 0.00 55.73 56.03 1i9r s ARG 24 Cb -0.02 -0.17 -0.06 0.00 0.52 0.00 0.00 34.95 35.23 1i9r s ARG 24 CO 0.17 -0.34 0.56 0.00 0.02 0.00 0.00 175.30 175.71 1i9r s ALA 25 N 2.42 3.55 -1.49 2.13 0.00 0.89 -0.82 121.76 128.44 1i9r s ALA 25 Ca 0.02 -0.00 0.13 0.00 0.00 0.00 0.00 51.96 52.11 1i9r s ALA 25 Cb -0.13 -2.65 0.65 0.00 0.00 0.00 0.00 23.12 20.99 1i9r s ALA 25 CO -0.09 0.29 1.30 -1.13 0.00 0.00 0.00 175.76 176.13 1i9r n SER 26 N 2.23 0.00 -3.54 0.00 3.41 -0.37 -4.70 113.62 110.65 1i9r n SER 26 Ca -0.09 0.06 -0.11 0.00 -0.26 0.00 0.00 58.87 58.47 1i9r n SER 26 Cb 0.51 -0.26 -0.02 0.00 -0.26 0.00 0.00 64.21 64.18 1i9r n SER 26 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1i9r s GLN 27 N -2.51 1.37 0.61 4.33 -2.07 -1.26 -4.93 119.66 115.19 1i9r s GLN 27 Ca 0.13 -0.62 -0.19 0.00 -1.82 0.00 0.00 55.36 52.86 1i9r s GLN 27 Cb 0.08 0.58 -0.03 0.00 -1.09 0.00 0.00 33.01 32.55 1i9r s GLN 27 CO 0.19 -0.60 1.17 0.54 -1.32 0.00 0.00 175.29 175.27 1i9r n ARG 28 N -0.38 1.14 -0.94 9.60 1.74 -1.26 -4.56 116.66 122.00 1i9r n ARG 28 Ca -0.14 0.44 0.01 0.00 -0.77 0.00 0.00 57.85 57.39 1i9r n ARG 28 Cb 0.64 -2.39 -0.00 0.00 -1.02 0.00 0.00 32.46 29.69 1i9r n ARG 28 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 1i9r n VAL 29 N -1.65 0.00 -4.69 1.55 0.24 -0.12 -4.95 118.33 108.72 1i9r n VAL 29 Ca 0.14 -0.38 -0.28 0.00 -2.04 0.00 0.00 64.34 61.78 1i9r n VAL 29 Cb 0.47 0.63 -0.17 0.00 -1.47 0.00 0.00 33.84 33.30 1i9r n VAL 29 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1i9r s SER 30 N -1.25 2.41 0.00 -1.34 0.15 -1.25 0.17 113.70 112.59 1i9r s SER 30 Ca 0.13 -0.43 0.00 0.00 0.70 0.00 0.00 55.95 56.35 1i9r s SER 30 Cb 0.15 -1.10 0.00 0.00 -1.71 0.00 0.00 66.02 63.36 1i9r s SER 30 CO -0.06 0.06 0.00 -1.54 1.20 0.00 0.00 173.24 172.89 1i9r n SER 31 N 3.91 0.00 0.03 5.45 3.41 0.95 -4.54 113.62 122.83 1i9r n SER 31 Ca -0.20 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.52 1i9r n SER 31 Cb 0.52 0.00 0.46 0.00 -0.26 0.00 0.00 64.21 64.93 1i9r n SER 31 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1i9r n SER 32 N 0.00 0.20 0.00 4.04 3.41 -1.26 -4.18 113.62 115.83 1i9r n SER 32 Ca 0.00 0.53 0.00 0.00 -0.26 0.00 0.00 58.87 59.14 1i9r n SER 32 Cb 0.00 -0.58 0.00 0.00 -0.26 0.00 0.00 64.21 63.37 1i9r n SER 32 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1i9r n THR 33 N -1.71 0.00 -4.30 6.66 -1.04 -1.26 -5.11 114.28 107.52 1i9r n THR 33 Ca 0.05 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 61.90 1i9r n THR 33 Cb 0.27 -0.32 -0.10 0.00 -1.82 0.00 0.00 70.33 68.36 1i9r n THR 33 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1i9r s TYR 34 N -1.33 1.48 -0.14 -1.42 1.51 -1.26 -5.13 117.35 111.06 1i9r s TYR 34 Ca 0.00 -0.76 0.02 0.00 -1.01 0.00 0.00 57.07 55.32 1i9r s TYR 34 Cb 0.00 -0.78 0.01 0.00 -0.11 0.00 0.00 41.96 41.09 1i9r s TYR 34 CO 0.00 0.12 -0.20 -1.12 -1.11 0.00 0.00 175.55 173.24 1i9r s SER 35 N -3.25 3.02 -1.43 2.29 0.01 -1.26 -0.03 113.70 113.03 1i9r s SER 35 Ca 0.22 -0.59 -0.08 0.00 1.31 0.00 0.00 55.95 56.81 1i9r s SER 35 Cb 0.03 -1.40 0.05 0.00 0.21 0.00 0.00 66.02 64.91 1i9r s SER 35 CO 0.05 0.05 2.53 -1.22 0.41 0.00 0.00 173.24 175.05 1i9r n TYR 36 N 4.23 2.62 -4.68 2.43 4.01 0.13 -3.64 117.16 122.26 1i9r n TYR 36 Ca -0.20 -2.92 -0.25 0.00 -0.16 0.00 0.00 57.90 54.37 1i9r n TYR 36 Cb 0.51 -2.12 -0.14 0.00 -0.31 0.00 0.00 39.34 37.28 1i9r n TYR 36 CO 0.00 0.00 0.00 -1.64 -0.46 0.00 0.00 176.86 174.76 1i9r s MET 37 N 0.41 1.37 0.03 -0.72 -1.94 -1.26 -1.58 119.30 115.60 1i9r s MET 37 Ca 0.58 -0.84 -0.05 0.00 -1.71 0.00 0.00 55.69 53.66 1i9r s MET 37 Cb 0.17 -1.42 -0.01 0.00 2.01 0.00 0.00 34.83 35.58 1i9r s MET 37 CO -0.07 0.37 0.09 -1.01 -0.01 0.00 0.00 175.02 174.39 1i9r s HIS 38 N -0.70 0.18 0.02 -0.03 0.09 0.73 0.22 115.29 115.80 1i9r s HIS 38 Ca 0.07 -0.46 0.07 0.00 -0.00 0.00 0.00 55.06 54.74 1i9r s HIS 38 Cb -0.08 -0.13 -0.02 0.00 -0.00 0.00 0.00 32.58 32.34 1i9r s HIS 38 CO 0.01 -0.35 -0.22 -1.58 -0.00 0.00 0.00 174.74 172.60 1i9r s TRP 39 N -2.39 1.98 0.08 1.40 0.52 0.15 0.57 118.94 121.24 1i9r s TRP 39 Ca -0.07 -0.38 0.03 0.00 0.02 0.00 0.00 56.10 55.70 1i9r s TRP 39 Cb -0.02 -1.23 -0.03 0.00 -1.15 0.00 0.00 33.47 31.04 1i9r s TRP 39 CO -0.04 0.04 -0.10 0.71 0.02 0.00 0.00 176.95 177.59 1i9r s TYR 40 N -0.67 0.95 -0.02 -1.98 4.12 0.12 -0.90 117.35 118.98 1i9r s TYR 40 Ca 0.09 -0.59 0.05 0.00 0.02 0.00 0.00 57.07 56.64 1i9r s TYR 40 Cb -0.09 -0.54 -0.03 0.00 -1.52 0.00 0.00 41.96 39.79 1i9r s TYR 40 CO 0.01 -0.03 -0.17 1.14 0.02 0.00 0.00 175.55 176.52 1i9r s GLN 41 N -2.32 2.32 -0.02 -0.62 -2.07 -0.88 0.29 119.66 116.35 1i9r s GLN 41 Ca -0.00 -0.82 0.00 0.00 -1.82 0.00 0.00 55.36 52.72 1i9r s GLN 41 Cb -0.06 -2.28 0.03 0.00 -1.09 0.00 0.00 33.01 29.61 1i9r s GLN 41 CO 0.00 0.59 0.02 -1.14 -1.32 0.00 0.00 175.29 173.44 1i9r s GLN 42 N -0.95 0.09 0.47 9.60 0.74 0.26 -0.68 119.66 129.20 1i9r s GLN 42 Ca 0.12 0.13 -0.01 0.00 0.05 0.00 0.00 55.36 55.65 1i9r s GLN 42 Cb -0.10 -0.31 -0.01 0.00 1.10 0.00 0.00 33.01 33.69 1i9r s GLN 42 CO 0.02 -0.14 0.71 0.15 -0.55 0.00 0.00 175.29 175.48 1i9r s LYS 43 N 0.94 3.13 0.43 1.67 -0.14 -1.26 -1.73 119.74 122.77 1i9r s LYS 43 Ca -0.08 -0.32 -0.25 0.00 -1.36 0.00 0.00 55.97 53.95 1i9r s LYS 43 Cb -0.12 -2.50 -0.08 0.00 -1.68 0.00 0.00 37.83 33.45 1i9r s LYS 43 CO -0.02 -0.30 1.31 -2.14 -0.76 0.00 0.00 175.35 173.44 1i9r s PRO 44 N -4.63 3.85 0.00 -1.68 0.02 -1.26 -2.43 135.00 128.87 1i9r s PRO 44 Ca 0.48 2.16 0.00 0.00 0.02 0.00 0.00 61.00 63.67 1i9r s PRO 44 Cb -0.10 -2.67 0.00 0.00 0.02 0.00 0.00 34.50 31.75 1i9r s PRO 44 CO 0.40 -0.60 0.00 0.41 -0.33 0.00 0.00 177.00 176.88 1i9r n GLY 45 N 0.64 2.39 3.91 0.52 0.00 -1.26 -4.97 105.19 106.42 1i9r n GLY 45 Ca 0.05 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.87 1i9r n GLY 45 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1i9r s GLN 46 N 0.00 2.84 0.48 1.61 -0.21 -1.02 -5.12 119.66 118.24 1i9r s GLN 46 Ca 0.00 -1.22 -0.04 0.00 0.02 0.00 0.00 55.36 54.12 1i9r s GLN 46 Cb 0.00 -2.60 -0.02 0.00 1.00 0.00 0.00 33.01 31.39 1i9r s GLN 46 CO 0.00 0.03 0.75 -1.25 -2.12 0.00 0.00 175.29 172.71 1i9r s PRO 47 N -4.09 3.35 0.74 2.91 0.04 -1.26 -4.42 135.00 132.27 1i9r s PRO 47 Ca 0.44 -0.02 -0.16 0.00 0.04 0.00 0.00 61.00 61.30 1i9r s PRO 47 Cb -0.07 -2.43 -0.04 0.00 0.04 0.00 0.00 34.50 32.00 1i9r s PRO 47 CO 0.29 -0.25 0.41 -2.30 0.04 0.00 0.00 177.00 175.19 1i9r n PRO 48 N -2.22 0.21 -4.45 0.56 -0.02 -1.26 -4.66 135.00 123.17 1i9r n PRO 48 Ca 0.01 0.11 -0.27 0.00 -2.02 0.00 0.00 63.50 61.32 1i9r n PRO 48 Cb 0.56 -1.74 -0.17 0.00 -0.02 0.00 0.00 33.50 32.13 1i9r n PRO 48 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1i9r s LYS 49 N -2.70 2.01 0.06 -0.52 2.36 0.15 -4.95 119.74 116.15 1i9r s LYS 49 Ca 0.63 -0.49 -0.31 0.00 -2.55 0.00 0.00 55.97 53.25 1i9r s LYS 49 Cb -0.34 -1.73 -0.06 0.00 -1.05 0.00 0.00 37.83 34.65 1i9r s LYS 49 CO 0.61 -0.06 1.36 -1.17 1.55 0.00 0.00 175.35 177.63 1i9r s LEU 50 N 0.97 4.35 -0.12 5.43 2.96 -1.26 -2.08 118.68 128.93 1i9r s LEU 50 Ca -0.08 2.17 -0.07 0.00 -0.22 0.00 0.00 54.13 55.94 1i9r s LEU 50 Cb -0.15 -3.57 -0.05 0.00 0.50 0.00 0.00 46.19 42.91 1i9r s LEU 50 CO -0.01 -0.64 -0.17 0.18 -1.32 0.00 0.00 176.35 174.39 1i9r n LEU 51 N 4.55 1.01 -4.03 -0.68 4.77 -0.08 -4.70 117.00 117.85 1i9r n LEU 51 Ca 0.12 0.17 -0.19 0.00 -0.03 0.00 0.00 56.01 56.08 1i9r n LEU 51 Cb 0.44 -0.41 -0.15 0.00 -2.33 0.00 0.00 43.42 40.97 1i9r n LEU 51 CO 0.58 0.16 -0.43 -0.63 -1.33 0.00 0.00 177.39 175.73 1i9r s ILE 52 N -2.27 0.72 0.04 -0.08 1.01 -1.07 0.53 121.20 120.08 1i9r s ILE 52 Ca -0.18 -0.40 0.09 0.00 0.00 0.00 0.00 60.65 60.16 1i9r s ILE 52 Cb 0.06 -0.61 -0.03 0.00 0.01 0.00 0.00 42.46 41.90 1i9r s ILE 52 CO 0.23 0.20 -0.25 -1.59 0.00 0.00 0.00 174.94 173.52 1i9r s LYS 53 N -0.24 1.71 -1.16 2.79 -2.85 0.18 0.30 119.74 120.48 1i9r s LYS 53 Ca 0.03 -1.05 -0.04 0.00 -1.00 0.00 0.00 55.97 53.91 1i9r s LYS 53 Cb -0.04 -1.86 -0.03 0.00 -2.06 0.00 0.00 37.83 33.85 1i9r s LYS 53 CO -0.00 0.48 0.90 0.66 0.10 0.00 0.00 175.35 177.49 1i9r n TYR 54 N 1.84 -2.22 0.00 1.78 4.02 0.03 -1.75 117.16 120.85 1i9r n TYR 54 Ca -0.17 0.85 0.00 0.00 -0.01 0.00 0.00 57.90 58.57 1i9r n TYR 54 Cb 0.52 -4.45 0.00 0.00 -0.02 0.00 0.00 39.34 35.40 1i9r n TYR 54 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1i9r n ALA 55 N -3.82 0.00 -1.29 -0.72 0.00 0.58 -3.97 120.51 111.30 1i9r n ALA 55 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1i9r n ALA 55 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.09 1i9r n ALA 55 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1i9r n SER 56 N 0.00 0.00 -4.58 0.00 3.41 -1.22 -2.97 113.62 108.26 1i9r n SER 56 Ca 0.00 -1.00 -0.34 0.00 -0.26 0.00 0.00 58.87 57.27 1i9r n SER 56 Cb 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 63.84 1i9r n SER 56 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1i9r s ASN 57 N 0.00 5.23 0.23 4.04 0.01 -0.72 -4.60 114.94 119.13 1i9r s ASN 57 Ca 0.00 -0.01 -0.30 0.00 -0.71 0.00 0.00 52.86 51.84 1i9r s ASN 57 Cb 0.00 -1.84 -0.10 0.00 0.41 0.00 0.00 41.25 39.72 1i9r s ASN 57 CO 0.00 0.19 1.44 -0.76 -1.51 0.00 0.00 177.10 176.46 1i9r s LEU 58 N 0.25 4.39 0.94 0.60 1.02 -1.26 -0.64 118.68 123.97 1i9r s LEU 58 Ca 0.01 2.62 -0.11 0.00 0.02 0.00 0.00 54.13 56.66 1i9r s LEU 58 Cb -0.13 -3.62 0.15 0.00 0.02 0.00 0.00 46.19 42.62 1i9r s LEU 58 CO 0.02 -0.69 1.09 -0.70 0.02 0.00 0.00 176.35 176.08 1i9r s GLU 59 N -0.13 0.90 0.13 1.70 2.56 0.19 -4.84 118.70 119.21 1i9r s GLU 59 Ca 0.60 0.97 -0.31 0.00 0.00 0.00 0.00 54.97 56.23 1i9r s GLU 59 Cb -0.41 -1.76 -0.07 0.00 2.00 0.00 0.00 34.13 33.89 1i9r s GLU 59 CO 0.41 -2.53 1.29 0.45 -0.56 0.00 0.00 175.26 174.32 1i9r s SER 60 N -3.14 6.95 0.00 -1.70 0.15 -1.26 -2.77 113.70 111.93 1i9r s SER 60 Ca 0.65 2.24 0.00 0.00 0.70 0.00 0.00 55.95 59.54 1i9r s SER 60 Cb -0.20 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.52 1i9r s SER 60 CO 0.58 -0.53 0.00 0.61 1.20 0.00 0.00 173.24 175.10 1i9r n GLY 61 N 2.96 3.06 3.76 9.45 0.00 -1.26 -5.04 105.19 118.12 1i9r n GLY 61 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 1i9r n GLY 61 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i9r s VAL 62 N -2.56 2.84 0.54 1.61 1.01 -1.12 -4.96 120.40 117.76 1i9r s VAL 62 Ca 0.00 0.83 -0.19 0.00 0.00 0.00 0.00 61.98 62.61 1i9r s VAL 62 Cb 0.00 -3.53 -0.06 0.00 0.00 0.00 0.00 36.38 32.79 1i9r s VAL 62 CO 0.00 0.19 1.12 -2.84 0.00 0.00 0.00 175.10 173.57 1i9r s PRO 63 N -1.57 3.38 0.34 2.72 0.02 -1.26 -4.89 135.00 133.73 1i9r s PRO 63 Ca 0.49 1.59 0.23 0.00 0.02 0.00 0.00 61.00 63.34 1i9r s PRO 63 Cb -0.39 -2.01 1.22 0.00 0.02 0.00 0.00 34.50 33.35 1i9r s PRO 63 CO 0.50 -0.82 1.71 0.00 -0.33 0.00 0.00 177.00 178.06 1i9r h ALA 64 N 1.22 1.00 -0.75 -1.55 0.00 -2.01 -2.16 119.26 115.02 1i9r h ALA 64 Ca -0.50 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 1i9r h ALA 64 Cb 1.26 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.01 1i9r h ALA 64 CO 0.57 0.00 0.41 0.00 0.00 0.00 0.00 179.25 180.23 1i9r h ARG 65 N 0.00 1.04 -6.71 0.00 3.08 -1.92 -3.42 114.38 106.45 1i9r h ARG 65 Ca 0.00 -0.12 -0.53 0.00 0.07 0.00 0.00 59.98 59.40 1i9r h ARG 65 Cb 0.05 -0.20 0.06 0.00 0.08 0.00 0.00 29.97 29.95 1i9r h ARG 65 CO 0.00 0.78 0.88 -0.06 -1.07 0.00 0.00 179.97 180.49 1i9r s PHE 66 N -5.84 2.93 0.21 3.04 0.08 -0.81 -2.23 117.98 115.36 1i9r s PHE 66 Ca -0.13 0.72 -0.19 0.00 0.12 0.00 0.00 56.93 57.45 1i9r s PHE 66 Cb 0.15 -3.98 0.03 0.00 -0.57 0.00 0.00 43.02 38.65 1i9r s PHE 66 CO 0.80 -3.45 0.59 -1.54 -0.10 0.00 0.00 175.22 171.52 1i9r s SER 67 N 0.77 -0.31 0.03 1.36 1.04 -1.11 -4.93 113.70 110.55 1i9r s SER 67 Ca 0.66 -0.44 -0.22 0.00 0.48 0.00 0.00 55.95 56.43 1i9r s SER 67 Cb -0.46 0.62 0.05 0.00 0.10 0.00 0.00 66.02 66.34 1i9r s SER 67 CO 0.39 -1.12 0.49 -0.83 0.98 0.00 0.00 173.24 173.15 1i9r s GLY 68 N -2.87 -0.38 0.35 7.32 0.00 -1.26 -0.24 107.32 110.23 1i9r s GLY 68 Ca 0.09 0.57 -0.05 0.00 0.00 0.00 0.00 44.72 45.33 1i9r s GLY 68 CO -0.02 0.28 0.53 -1.35 0.00 0.00 0.00 173.10 172.54 1i9r s SER 69 N -1.86 0.75 0.00 1.64 1.04 -0.17 -4.28 113.70 110.82 1i9r s SER 69 Ca -0.06 -1.42 0.00 0.00 0.48 0.00 0.00 55.95 54.95 1i9r s SER 69 Cb -0.01 0.69 0.00 0.00 0.10 0.00 0.00 66.02 66.80 1i9r s SER 69 CO -0.00 -1.36 0.00 0.61 0.98 0.00 0.00 173.24 173.47 1i9r n GLY 70 N -0.56 0.86 0.00 7.32 0.00 -1.26 -0.05 105.19 111.50 1i9r n GLY 70 Ca -0.01 -2.12 0.00 0.00 0.00 0.00 0.00 46.02 43.90 1i9r n GLY 70 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1i9r n SER 71 N 1.59 0.00 0.00 1.61 3.41 -0.52 -4.97 113.62 114.74 1i9r n SER 71 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1i9r n SER 71 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1i9r n SER 71 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1i9r n GLY 72 N -0.14 1.02 0.11 5.00 0.00 -1.26 -2.71 105.19 107.22 1i9r n GLY 72 Ca 0.00 0.35 0.01 0.00 0.00 0.00 0.00 46.02 46.38 1i9r n GLY 72 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1i9r n THR 73 N 0.00 0.01 -4.74 2.61 -2.24 -1.26 -0.94 114.28 107.71 1i9r n THR 73 Ca 0.00 -0.51 -0.27 0.00 -2.27 0.00 0.00 64.05 61.01 1i9r n THR 73 Cb 0.00 1.05 -0.17 0.00 -2.10 0.00 0.00 70.33 69.12 1i9r n THR 73 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1i9r s ASP 74 N -0.25 2.19 0.04 3.42 1.01 -1.10 -0.08 116.67 121.91 1i9r s ASP 74 Ca 0.03 -0.38 0.00 0.00 0.71 0.00 0.00 52.55 52.92 1i9r s ASP 74 Cb 0.02 -1.01 -0.03 0.00 1.01 0.00 0.00 42.92 42.92 1i9r s ASP 74 CO 0.04 0.07 -0.04 -0.36 0.21 0.00 0.00 175.17 175.08 1i9r s PHE 75 N 0.61 0.46 0.14 4.23 0.40 -0.88 -1.44 117.98 121.51 1i9r s PHE 75 Ca -0.15 -0.69 0.04 0.00 -0.60 0.00 0.00 56.93 55.53 1i9r s PHE 75 Cb -0.16 -0.31 -0.04 0.00 0.51 0.00 0.00 43.02 43.02 1i9r s PHE 75 CO 0.05 -0.21 -0.10 0.95 0.70 0.00 0.00 175.22 176.61 1i9r s THR 76 N -2.22 1.11 -0.03 0.64 -4.23 0.92 0.18 115.64 112.01 1i9r s THR 76 Ca -0.07 -2.03 -0.00 0.00 -1.18 0.00 0.00 61.69 58.41 1i9r s THR 76 Cb -0.04 -1.81 0.03 0.00 1.34 0.00 0.00 72.50 72.02 1i9r s THR 76 CO -0.03 -0.75 0.03 -0.22 -0.54 0.00 0.00 174.62 173.10 1i9r s LEU 77 N -3.12 0.83 -0.06 4.79 1.98 -0.85 -1.00 118.68 121.25 1i9r s LEU 77 Ca 0.16 0.02 -0.02 0.00 -2.89 0.00 0.00 54.13 51.39 1i9r s LEU 77 Cb 0.03 -0.16 0.04 0.00 0.66 0.00 0.00 46.19 46.75 1i9r s LEU 77 CO -0.00 -0.15 0.12 0.28 -1.89 0.00 0.00 176.35 174.71 1i9r s THR 78 N 1.40 -0.10 0.04 3.68 -1.32 0.66 -1.02 115.64 118.97 1i9r s THR 78 Ca -0.05 0.25 -0.30 0.00 -1.21 0.00 0.00 61.69 60.38 1i9r s THR 78 Cb -0.13 -0.22 -0.04 0.00 -1.51 0.00 0.00 72.50 70.60 1i9r s THR 78 CO -0.03 0.10 1.01 -0.63 -2.21 0.00 0.00 174.62 172.86 1i9r s ILE 79 N 1.49 4.65 0.21 5.08 1.01 -0.60 -2.76 121.20 130.27 1i9r s ILE 79 Ca -0.05 1.97 0.26 0.00 0.00 0.00 0.00 60.65 62.82 1i9r s ILE 79 Cb -0.12 -4.26 0.26 0.00 0.01 0.00 0.00 42.46 38.35 1i9r s ILE 79 CO -0.05 0.19 1.90 0.77 0.00 0.00 0.00 174.94 177.75 1i9r h SER 80 N 6.49 0.00 -0.63 3.58 4.64 -1.74 -3.09 113.55 122.79 1i9r h SER 80 Ca -0.42 0.00 0.13 0.00 -0.47 0.00 0.00 61.79 61.04 1i9r h SER 80 Cb 1.22 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 63.11 1i9r h SER 80 CO 0.75 0.18 -0.16 -0.94 -0.87 0.00 0.00 176.83 175.79 1i9r s SER 81 N -6.13 -1.00 0.35 4.97 1.04 -1.26 -4.40 113.70 107.26 1i9r s SER 81 Ca -0.00 0.22 -0.24 0.00 0.48 0.00 0.00 55.95 56.41 1i9r s SER 81 Cb 0.11 1.68 -0.14 0.00 0.10 0.00 0.00 66.02 67.76 1i9r s SER 81 CO 0.61 -0.18 0.51 0.52 0.98 0.00 0.00 173.24 175.68 1i9r n VAL 82 N 5.31 1.62 -4.22 5.02 0.31 0.76 -4.54 118.33 122.58 1i9r n VAL 82 Ca 0.04 -0.50 -0.17 0.00 -0.01 0.00 0.00 64.34 63.71 1i9r n VAL 82 Cb 0.55 -0.36 -0.11 0.00 -0.91 0.00 0.00 33.84 33.01 1i9r n VAL 82 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1i9r s GLU 83 N -1.32 0.97 0.29 5.55 2.02 -1.26 -1.06 118.70 123.89 1i9r s GLU 83 Ca 0.62 -1.23 -0.01 0.00 0.02 0.00 0.00 54.97 54.38 1i9r s GLU 83 Cb -0.70 -0.77 0.65 0.00 0.10 0.00 0.00 34.13 33.40 1i9r s GLU 83 CO 0.59 0.14 1.61 -1.35 0.02 0.00 0.00 175.26 176.26 1i9r h PRO 84 N 3.49 0.07 -0.21 0.39 0.11 -1.99 0.14 132.00 134.00 1i9r h PRO 84 Ca -0.39 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.73 1i9r h PRO 84 Cb 1.19 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1i9r h PRO 84 CO 0.52 0.05 0.14 1.05 -0.21 0.00 0.00 178.00 179.55 1i9r h GLU 85 N 0.08 0.23 0.00 1.05 4.11 -2.02 -2.43 114.58 115.60 1i9r h GLU 85 Ca 0.53 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.95 1i9r h GLU 85 Cb 1.05 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.25 1i9r h GLU 85 CO -0.79 0.15 0.00 -0.44 0.07 0.00 0.00 179.01 178.00 1i9r h ASP 86 N 0.24 0.00 -2.71 3.06 3.32 -1.12 -3.42 116.42 115.79 1i9r h ASP 86 Ca 0.08 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.59 1i9r h ASP 86 Cb 0.05 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.60 1i9r h ASP 86 CO -0.02 0.00 1.00 -0.36 -1.72 0.00 0.00 179.24 178.15 1i9r s PHE 87 N -3.78 2.31 0.00 4.55 0.40 -0.92 -4.85 117.98 115.70 1i9r s PHE 87 Ca -0.02 0.40 0.00 0.00 -0.60 0.00 0.00 56.93 56.72 1i9r s PHE 87 Cb 0.10 -3.85 0.00 0.00 0.51 0.00 0.00 43.02 39.78 1i9r s PHE 87 CO 0.38 -3.43 0.00 0.00 0.70 0.00 0.00 175.22 172.88 1i9r n ALA 88 N 6.39 0.00 -2.72 5.36 0.00 -1.24 -4.96 120.51 123.34 1i9r n ALA 88 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.28 1i9r n ALA 88 Cb 0.43 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.72 1i9r n ALA 88 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1i9r s THR 89 N -2.31 2.22 -0.07 0.00 2.01 -0.71 0.68 115.64 117.45 1i9r s THR 89 Ca 0.00 -1.01 0.03 0.00 0.31 0.00 0.00 61.69 61.02 1i9r s THR 89 Cb 0.00 -1.82 -0.02 0.00 0.01 0.00 0.00 72.50 70.67 1i9r s THR 89 CO 0.00 0.57 -0.17 -0.31 -0.69 0.00 0.00 174.62 174.02 1i9r s TYR 90 N -0.19 2.66 -0.01 4.92 1.51 0.77 0.93 117.35 127.94 1i9r s TYR 90 Ca -0.02 -0.44 0.07 0.00 -1.01 0.00 0.00 57.07 55.66 1i9r s TYR 90 Cb -0.14 -1.68 -0.03 0.00 -0.11 0.00 0.00 41.96 40.01 1i9r s TYR 90 CO 0.03 -0.03 -0.21 0.71 -1.11 0.00 0.00 175.55 174.94 1i9r s TYR 91 N -0.27 2.48 0.09 2.71 2.02 0.14 -1.73 117.35 122.79 1i9r s TYR 91 Ca 0.01 -0.32 0.03 0.00 -0.37 0.00 0.00 57.07 56.42 1i9r s TYR 91 Cb -0.13 -1.52 -0.04 0.00 -0.40 0.00 0.00 41.96 39.88 1i9r s TYR 91 CO 0.03 0.10 0.09 0.00 -1.57 0.00 0.00 175.55 174.20 1i9r s GLN 93 N -2.49 0.63 0.15 0.00 -0.44 0.19 -0.53 119.66 117.16 1i9r s GLN 93 Ca 0.30 1.09 -0.02 0.00 -2.50 0.00 0.00 55.36 54.23 1i9r s GLN 93 Cb -0.12 0.11 0.03 0.00 -1.64 0.00 0.00 33.01 31.39 1i9r s GLN 93 CO 0.22 -0.15 0.20 -2.39 0.50 0.00 0.00 175.29 173.68 1i9r n HIS 94 N 4.22 -3.72 -2.45 1.67 1.44 -1.20 -0.19 115.22 114.99 1i9r n HIS 94 Ca -0.21 -0.24 -0.02 0.00 -2.01 0.00 0.00 57.72 55.24 1i9r n HIS 94 Cb 0.58 -0.15 0.06 0.00 0.12 0.00 0.00 29.99 30.59 1i9r n HIS 94 CO 0.00 0.00 0.00 -1.13 -2.81 0.00 0.00 176.34 172.40 1i9r n SER 95 N -3.08 -0.90 0.08 4.39 3.41 -0.62 -4.45 113.62 112.45 1i9r n SER 95 Ca 0.03 -1.70 -0.08 0.00 -0.26 0.00 0.00 58.87 56.86 1i9r n SER 95 Cb 0.10 0.40 -0.08 0.00 -0.26 0.00 0.00 64.21 64.37 1i9r n SER 95 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 175.04 174.63 1i9r h TRP 96 N 0.52 0.14 -2.96 7.33 2.91 -1.91 -3.48 115.95 118.51 1i9r h TRP 96 Ca -0.31 -0.10 -0.03 0.00 1.13 0.00 0.00 58.89 59.59 1i9r h TRP 96 Cb 1.18 -0.01 0.01 0.00 -0.51 0.00 0.00 29.16 29.83 1i9r h TRP 96 CO -0.13 1.01 0.27 -0.85 -1.03 0.00 0.00 178.44 177.72 1i9r n GLU 97 N -3.48 1.10 -3.55 2.65 0.28 -1.26 -5.14 120.64 111.24 1i9r n GLU 97 Ca -0.02 -2.16 -0.37 0.00 -0.16 0.00 0.00 57.16 54.44 1i9r n GLU 97 Cb 0.90 2.70 -0.06 0.00 1.43 0.00 0.00 31.44 36.41 1i9r n GLU 97 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1i9r s ILE 98 N -2.12 5.24 0.13 3.84 1.01 -1.26 -3.07 121.20 124.97 1i9r s ILE 98 Ca 0.16 0.63 -0.12 0.00 0.00 0.00 0.00 60.65 61.31 1i9r s ILE 98 Cb -0.05 -3.64 -0.07 0.00 0.01 0.00 0.00 42.46 38.72 1i9r s ILE 98 CO 0.12 0.47 0.50 -2.16 0.00 0.00 0.00 174.94 173.86 1i9r s PRO 99 N -0.19 3.87 0.52 2.79 0.04 -1.26 -5.00 135.00 135.77 1i9r s PRO 99 Ca 0.19 0.34 -0.21 0.00 0.04 0.00 0.00 61.00 61.36 1i9r s PRO 99 Cb -0.14 -2.91 -0.06 0.00 0.04 0.00 0.00 34.50 31.43 1i9r s PRO 99 CO 0.07 0.48 1.21 -1.25 0.04 0.00 0.00 177.00 177.55 1i9r s PRO 100 N -2.07 3.39 0.02 0.56 0.04 -1.18 -4.80 135.00 130.96 1i9r s PRO 100 Ca 0.37 1.85 0.03 0.00 0.04 0.00 0.00 61.00 63.29 1i9r s PRO 100 Cb -0.14 -2.20 -0.01 0.00 0.04 0.00 0.00 34.50 32.18 1i9r s PRO 100 CO 0.19 -0.87 -0.09 0.95 0.04 0.00 0.00 177.00 177.22 1i9r s THR 101 N -1.55 0.66 0.21 1.26 -4.23 -1.26 -5.04 115.64 105.70 1i9r s THR 101 Ca 0.70 -0.70 0.00 0.00 -1.18 0.00 0.00 61.69 60.51 1i9r s THR 101 Cb -0.30 -0.62 -0.04 0.00 1.34 0.00 0.00 72.50 72.88 1i9r s THR 101 CO 0.35 -0.06 0.40 -0.36 -0.54 0.00 0.00 174.62 174.41 1i9r s PHE 102 N -0.71 3.48 0.93 3.99 0.40 -1.26 -3.26 117.98 121.55 1i9r s PHE 102 Ca -0.02 0.30 -0.12 0.00 -0.60 0.00 0.00 56.93 56.49 1i9r s PHE 102 Cb -0.06 -1.82 0.15 0.00 0.51 0.00 0.00 43.02 41.80 1i9r s PHE 102 CO 0.00 0.37 1.13 0.20 0.70 0.00 0.00 175.22 177.62 1i9r s GLY 103 N -3.32 1.57 0.50 4.36 0.00 0.31 -4.54 107.32 106.20 1i9r s GLY 103 Ca 0.38 -0.51 0.28 0.00 0.00 0.00 0.00 44.72 44.86 1i9r s GLY 103 CO 0.30 0.06 1.97 -1.33 0.00 0.00 0.00 173.10 174.10 1i9r h GLY 104 N -1.56 0.00 0.00 0.20 0.00 -1.89 -3.45 103.07 96.37 1i9r h GLY 104 Ca -0.51 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.82 1i9r h GLY 104 CO 0.61 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.76 1i9r n GLY 105 N -0.26 2.48 2.84 4.60 0.00 -1.26 -5.03 105.19 108.56 1i9r n GLY 105 Ca -0.01 -1.86 -0.14 0.00 0.00 0.00 0.00 46.02 44.01 1i9r n GLY 105 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1i9r s THR 106 N -2.66 -0.05 -0.06 2.61 2.01 -0.70 -4.66 115.64 112.12 1i9r s THR 106 Ca 0.00 0.20 -0.18 0.00 0.31 0.00 0.00 61.69 62.02 1i9r s THR 106 Cb 0.00 -0.15 -0.05 0.00 0.01 0.00 0.00 72.50 72.31 1i9r s THR 106 CO 0.00 0.08 0.48 -0.75 -0.69 0.00 0.00 174.62 173.74 1i9r s LYS 107 N 1.11 4.22 -1.01 4.92 2.20 0.12 -0.16 119.74 131.13 1i9r s LYS 107 Ca -0.09 0.50 -0.10 0.00 -0.36 0.00 0.00 55.97 55.92 1i9r s LYS 107 Cb -0.12 -3.35 0.26 0.00 -1.51 0.00 0.00 37.83 33.10 1i9r s LYS 107 CO -0.04 0.37 0.99 -1.17 -0.36 0.00 0.00 175.35 175.13 1i9r s LEU 108 N -0.08 6.42 0.69 5.43 2.96 0.21 -0.53 118.68 133.78 1i9r s LEU 108 Ca 0.26 -3.33 -0.12 0.00 -0.22 0.00 0.00 54.13 50.72 1i9r s LEU 108 Cb -0.16 -2.19 0.01 0.00 0.50 0.00 0.00 46.19 44.35 1i9r s LEU 108 CO 0.13 -0.37 1.07 -0.70 -1.32 0.00 0.00 176.35 175.16 1i9r s GLU 109 N -0.83 2.85 -0.31 1.98 2.12 0.46 -3.61 118.70 121.36 1i9r s GLU 109 Ca 0.27 1.10 -0.22 0.00 0.36 0.00 0.00 54.97 56.48 1i9r s GLU 109 Cb -0.10 -1.97 -0.00 0.00 0.26 0.00 0.00 34.13 32.31 1i9r s GLU 109 CO -0.08 -1.18 0.70 0.42 -0.54 0.00 0.00 175.26 174.58 1i9r s ILE 110 N -2.81 4.87 0.54 -3.70 1.01 -1.26 -0.75 121.20 119.10 1i9r s ILE 110 Ca 0.61 0.98 -0.21 0.00 0.00 0.00 0.00 60.65 62.03 1i9r s ILE 110 Cb -0.16 -4.07 -0.05 0.00 0.01 0.00 0.00 42.46 38.19 1i9r s ILE 110 CO 0.50 -0.20 1.29 -0.75 0.00 0.00 0.00 174.94 175.78 1i9r s LYS 111 N 2.77 3.23 -0.27 2.79 2.20 0.17 -4.77 119.74 125.86 1i9r s LYS 111 Ca 0.28 2.06 -0.26 0.00 -0.36 0.00 0.00 55.97 57.70 1i9r s LYS 111 Cb -0.14 -2.23 0.15 0.00 -1.51 0.00 0.00 37.83 34.10 1i9r s LYS 111 CO 0.12 -1.06 1.20 -0.98 -0.36 0.00 0.00 175.35 174.27 1i9r s ARG 112 N -2.94 0.32 0.56 4.03 1.04 -1.26 -4.77 118.95 115.94 1i9r s ARG 112 Ca 0.71 0.30 -0.20 0.00 -1.04 0.00 0.00 55.73 55.50 1i9r s ARG 112 Cb -0.36 0.16 -0.05 0.00 -2.04 0.00 0.00 34.95 32.65 1i9r s ARG 112 CO 0.42 -0.06 1.15 0.25 -0.04 0.00 0.00 175.30 177.02 1i9r n THR 113 N 1.64 3.69 -0.86 4.99 -2.24 -1.26 -4.89 114.28 115.35 1i9r n THR 113 Ca -0.10 -0.50 -0.35 0.00 -2.27 0.00 0.00 64.05 60.83 1i9r n THR 113 Cb 0.57 -1.37 0.10 0.00 -2.10 0.00 0.00 70.33 67.52 1i9r n THR 113 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1i9r n VAL 114 N -1.32 0.00 -3.58 2.28 0.31 -1.26 -4.90 118.33 109.86 1i9r n VAL 114 Ca 0.12 -0.28 -0.01 0.00 -0.01 0.00 0.00 64.34 64.17 1i9r n VAL 114 Cb 0.45 -0.36 -0.04 0.00 -0.91 0.00 0.00 33.84 32.98 1i9r n VAL 114 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1i9r s ALA 115 N -2.20 -2.22 0.58 3.52 0.00 -0.20 -4.92 121.76 116.32 1i9r s ALA 115 Ca 0.49 2.27 -0.18 0.00 0.00 0.00 0.00 51.96 54.55 1i9r s ALA 115 Cb -0.14 -1.82 -0.04 0.00 0.00 0.00 0.00 23.12 21.12 1i9r s ALA 115 CO 0.71 -0.87 1.10 0.00 0.00 0.00 0.00 175.76 176.70 1i9r s ALA 116 N 2.62 2.66 0.38 0.00 0.00 -1.26 -2.12 121.76 124.04 1i9r s ALA 116 Ca -0.05 0.63 -0.05 0.00 0.00 0.00 0.00 51.96 52.48 1i9r s ALA 116 Cb -0.10 -3.31 -0.05 0.00 0.00 0.00 0.00 23.12 19.67 1i9r s ALA 116 CO -0.19 -0.87 0.67 -1.25 0.00 0.00 0.00 175.76 174.12 1i9r s PRO 117 N -3.66 3.62 -0.40 0.00 0.04 -1.26 -4.56 135.00 128.77 1i9r s PRO 117 Ca 0.69 0.11 -0.11 0.00 0.04 0.00 0.00 61.00 61.73 1i9r s PRO 117 Cb -0.20 -2.52 0.05 0.00 0.04 0.00 0.00 34.50 31.87 1i9r s PRO 117 CO 0.32 0.03 0.25 -1.54 0.04 0.00 0.00 177.00 176.10 1i9r s SER 118 N -3.55 5.73 0.32 6.66 1.04 -1.00 -4.88 113.70 118.02 1i9r s SER 118 Ca 0.46 -1.26 -0.14 0.00 0.48 0.00 0.00 55.95 55.50 1i9r s SER 118 Cb -0.10 -2.02 -0.08 0.00 0.10 0.00 0.00 66.02 63.91 1i9r s SER 118 CO 0.35 -0.48 0.72 0.68 0.98 0.00 0.00 173.24 175.49 1i9r s VAL 119 N 1.50 4.73 -0.10 5.02 -7.23 -1.25 -0.92 120.40 122.15 1i9r s VAL 119 Ca 0.02 0.83 -0.06 0.00 -1.81 0.00 0.00 61.98 60.96 1i9r s VAL 119 Cb -0.21 -3.63 0.04 0.00 0.56 0.00 0.00 36.38 33.14 1i9r s VAL 119 CO 0.05 -0.22 0.25 -0.36 -0.31 0.00 0.00 175.10 174.50 1i9r s PHE 120 N -2.02 -0.31 -0.18 2.82 0.08 0.21 -4.94 117.98 113.64 1i9r s PHE 120 Ca 0.53 0.74 -0.02 0.00 0.12 0.00 0.00 56.93 58.30 1i9r s PHE 120 Cb -0.10 0.07 -0.01 0.00 -0.57 0.00 0.00 43.02 42.40 1i9r s PHE 120 CO 0.20 -0.20 -0.08 -1.50 -0.10 0.00 0.00 175.22 173.54 1i9r s ILE 121 N 0.87 3.25 -0.19 0.64 2.07 -1.26 0.06 121.20 126.64 1i9r s ILE 121 Ca -0.06 -0.56 -0.06 0.00 -1.41 0.00 0.00 60.65 58.56 1i9r s ILE 121 Cb -0.07 -2.43 -0.03 0.00 0.13 0.00 0.00 42.46 40.06 1i9r s ILE 121 CO -0.06 0.47 0.02 -0.36 -1.91 0.00 0.00 174.94 173.11 1i9r s PHE 122 N 0.92 3.12 0.28 3.50 0.08 0.17 -4.99 117.98 121.06 1i9r s PHE 122 Ca -0.02 -0.19 -0.03 0.00 0.12 0.00 0.00 56.93 56.81 1i9r s PHE 122 Cb -0.15 -2.07 -0.05 0.00 -0.57 0.00 0.00 43.02 40.19 1i9r s PHE 122 CO 0.00 -0.04 0.52 -1.25 -0.10 0.00 0.00 175.22 174.35 1i9r s PRO 123 N 0.66 3.58 -0.36 0.24 0.05 -1.26 -2.05 135.00 135.86 1i9r s PRO 123 Ca 0.01 -0.12 -0.34 0.00 0.05 0.00 0.00 61.00 60.60 1i9r s PRO 123 Cb -0.14 -2.69 -0.14 0.00 0.05 0.00 0.00 34.50 31.58 1i9r s PRO 123 CO 0.02 0.24 1.24 -2.30 0.05 0.00 0.00 177.00 176.25 1i9r n PRO 124 N -1.02 0.00 -1.68 0.56 -0.02 -1.26 -4.84 135.00 126.74 1i9r n PRO 124 Ca -0.03 0.00 -0.46 0.00 -2.02 0.00 0.00 63.50 60.99 1i9r n PRO 124 Cb 0.54 -1.09 -0.04 0.00 -0.02 0.00 0.00 33.50 32.89 1i9r n PRO 124 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1i9r n SER 125 N 3.41 3.60 -0.28 2.55 7.64 -1.26 -4.78 113.62 124.50 1i9r n SER 125 Ca 0.26 0.97 0.09 0.00 1.01 0.00 0.00 58.87 61.21 1i9r n SER 125 Cb -0.04 -1.42 0.24 0.00 -1.01 0.00 0.00 64.21 61.97 1i9r n SER 125 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 1i9r h ASP 126 N 9.04 -0.01 -0.45 6.43 3.32 -2.00 0.86 116.42 133.62 1i9r h ASP 126 Ca -0.48 0.18 0.04 0.00 0.02 0.00 0.00 57.03 56.78 1i9r h ASP 126 Cb 1.26 0.24 -0.02 0.00 0.22 0.00 0.00 39.33 41.02 1i9r h ASP 126 CO 0.94 -0.10 0.30 -0.08 -1.72 0.00 0.00 179.24 178.58 1i9r h GLU 127 N 0.24 0.43 0.00 3.56 4.81 -2.00 -0.96 114.58 120.66 1i9r h GLU 127 Ca 0.49 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.65 1i9r h GLU 127 Cb 0.91 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.19 1i9r h GLU 127 CO -0.60 0.28 -0.19 0.37 -0.73 0.00 0.00 179.01 178.15 1i9r h GLN 128 N 0.44 0.00 0.00 1.92 4.15 0.36 -3.09 115.11 118.89 1i9r h GLN 128 Ca 0.19 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.56 1i9r h GLN 128 Cb 0.18 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.87 1i9r h GLN 128 CO -0.05 0.19 -0.22 -0.07 -1.93 0.00 0.00 178.83 176.76 1i9r h LEU 129 N 0.00 0.00 -0.36 -2.39 3.38 0.19 -2.79 115.31 113.33 1i9r h LEU 129 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1i9r h LEU 129 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1i9r h LEU 129 CO 0.02 0.22 0.00 1.17 0.09 0.00 0.00 178.44 179.94 1i9r n LYS 130 N -3.20 0.58 -0.21 1.13 3.00 -1.04 -1.66 118.16 116.76 1i9r n LYS 130 Ca 0.02 0.00 0.03 0.00 -0.00 0.00 0.00 58.31 58.36 1i9r n LYS 130 Cb 0.56 -1.11 0.04 0.00 0.00 0.00 0.00 35.03 34.53 1i9r n LYS 130 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1i9r n SER 131 N -0.24 0.93 0.00 3.14 7.64 -1.05 -5.00 113.62 119.03 1i9r n SER 131 Ca 0.00 -2.11 0.00 0.00 1.01 0.00 0.00 58.87 57.77 1i9r n SER 131 Cb 0.05 -0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.05 1i9r n SER 131 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1i9r n GLY 132 N -0.47 1.47 3.40 0.23 0.00 -0.66 -4.95 105.19 104.20 1i9r n GLY 132 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 1i9r n GLY 132 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1i9r s THR 133 N -2.34 2.90 -0.22 2.61 2.01 -1.24 -0.17 115.64 119.18 1i9r s THR 133 Ca 0.00 -0.75 0.01 0.00 0.31 0.00 0.00 61.69 61.26 1i9r s THR 133 Cb 0.00 -2.16 0.05 0.00 0.01 0.00 0.00 72.50 70.40 1i9r s THR 133 CO 0.00 0.56 -0.09 0.00 -0.69 0.00 0.00 174.62 174.40 1i9r s ALA 134 N -0.15 2.10 -0.12 7.40 0.00 -0.63 -3.77 121.76 126.59 1i9r s ALA 134 Ca -0.01 -1.37 0.02 0.00 0.00 0.00 0.00 51.96 50.60 1i9r s ALA 134 Cb -0.14 -1.40 0.01 0.00 0.00 0.00 0.00 23.12 21.60 1i9r s ALA 134 CO 0.03 -1.04 -0.19 -1.54 0.00 0.00 0.00 175.76 173.03 1i9r s SER 135 N 1.34 2.78 -0.23 0.00 1.04 -1.26 0.20 113.70 117.57 1i9r s SER 135 Ca -0.05 -0.51 -0.08 0.00 0.48 0.00 0.00 55.95 55.79 1i9r s SER 135 Cb -0.18 -1.27 -0.04 0.00 0.10 0.00 0.00 66.02 64.63 1i9r s SER 135 CO -0.07 0.06 0.09 0.54 0.98 0.00 0.00 173.24 174.85 1i9r s VAL 136 N 0.80 4.71 -0.18 5.02 0.11 0.12 -4.05 120.40 126.94 1i9r s VAL 136 Ca -0.09 -0.05 -0.09 0.00 -2.93 0.00 0.00 61.98 58.83 1i9r s VAL 136 Cb -0.16 -3.18 -0.05 0.00 -1.53 0.00 0.00 36.38 31.47 1i9r s VAL 136 CO 0.00 0.37 0.11 -0.69 -3.33 0.00 0.00 175.10 171.56 1i9r s VAL 137 N 1.13 5.23 -0.01 2.04 1.01 -0.87 -0.75 120.40 128.18 1i9r s VAL 137 Ca 0.05 0.12 0.05 0.00 0.00 0.00 0.00 61.98 62.20 1i9r s VAL 137 Cb -0.14 -3.36 -0.03 0.00 0.00 0.00 0.00 36.38 32.85 1i9r s VAL 137 CO 0.04 0.48 -0.15 0.00 0.00 0.00 0.00 175.10 175.48 1i9r s LEU 139 N -1.09 0.83 -0.54 0.00 2.96 0.11 -2.16 118.68 118.78 1i9r s LEU 139 Ca 0.14 -0.10 -0.17 0.00 -0.22 0.00 0.00 54.13 53.78 1i9r s LEU 139 Cb -0.11 -0.45 0.12 0.00 0.50 0.00 0.00 46.19 46.25 1i9r s LEU 139 CO 0.03 -0.15 0.53 -0.76 -1.32 0.00 0.00 176.35 174.68 1i9r s LEU 140 N 1.65 5.93 0.29 -0.68 1.02 -0.84 -0.62 118.68 125.43 1i9r s LEU 140 Ca 0.00 -1.64 -0.19 0.00 0.02 0.00 0.00 54.13 52.33 1i9r s LEU 140 Cb -0.13 -2.23 -0.09 0.00 0.02 0.00 0.00 46.19 43.76 1i9r s LEU 140 CO -0.04 -0.88 0.78 0.21 0.02 0.00 0.00 176.35 176.43 1i9r s ASN 141 N 3.46 6.97 -0.32 2.29 3.04 -0.10 -2.42 114.94 127.86 1i9r s ASN 141 Ca 0.05 1.44 -0.04 0.00 0.04 0.00 0.00 52.86 54.35 1i9r s ASN 141 Cb -0.28 -2.43 0.01 0.00 -1.54 0.00 0.00 41.25 37.00 1i9r s ASN 141 CO 0.04 -0.11 0.27 0.59 -3.04 0.00 0.00 177.10 174.85 1i9r n ASN 142 N 0.17 -2.14 -4.83 -4.21 4.13 -0.84 -2.38 115.26 105.16 1i9r n ASN 142 Ca 0.01 -0.34 -0.29 0.00 1.68 0.00 0.00 54.58 55.64 1i9r n ASN 142 Cb 0.52 -0.69 -0.04 0.00 -1.54 0.00 0.00 39.78 38.03 1i9r n ASN 142 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 1i9r s PHE 143 N -2.00 1.79 -0.30 3.10 -0.71 0.98 -4.69 117.98 116.16 1i9r s PHE 143 Ca 0.04 -0.88 -0.27 0.00 -1.04 0.00 0.00 56.93 54.78 1i9r s PHE 143 Cb -0.00 -1.78 0.20 0.00 -1.21 0.00 0.00 43.02 40.22 1i9r s PHE 143 CO 0.39 -0.12 1.44 -0.47 -1.34 0.00 0.00 175.22 175.13 1i9r s TYR 144 N -2.81 -0.01 1.29 3.49 5.04 -0.90 0.98 117.35 124.43 1i9r s TYR 144 Ca 0.22 0.02 -0.19 0.00 -2.44 0.00 0.00 57.07 54.67 1i9r s TYR 144 Cb -0.00 0.50 0.29 0.00 0.35 0.00 0.00 41.96 43.10 1i9r s TYR 144 CO 0.13 -0.01 0.69 -2.30 -1.34 0.00 0.00 175.55 172.72 1i9r n PRO 145 N 1.05 -3.58 0.09 4.97 -0.02 -1.26 -1.03 135.00 135.22 1i9r n PRO 145 Ca -0.05 -1.05 0.12 0.00 -2.02 0.00 0.00 63.50 60.50 1i9r n PRO 145 Cb 0.58 -1.83 0.45 0.00 -0.02 0.00 0.00 33.50 32.68 1i9r n PRO 145 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1i9r n ARG 146 N -4.36 0.17 -2.11 -0.52 0.63 -1.26 -4.75 116.66 104.46 1i9r n ARG 146 Ca 0.08 0.28 -0.42 0.00 -0.92 0.00 0.00 57.85 56.87 1i9r n ARG 146 Cb 0.53 -1.76 -0.03 0.00 0.45 0.00 0.00 32.46 31.66 1i9r n ARG 146 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 1i9r s GLU 147 N -3.16 4.17 -0.29 -0.14 8.01 -1.26 -4.97 118.70 121.07 1i9r s GLU 147 Ca 0.08 2.03 0.04 0.00 0.01 0.00 0.00 54.97 57.13 1i9r s GLU 147 Cb 0.12 -3.93 0.18 0.00 -4.31 0.00 0.00 34.13 26.18 1i9r s GLU 147 CO 0.47 -0.84 0.49 0.00 0.01 0.00 0.00 175.26 175.39 1i9r s ALA 148 N 3.97 -1.73 0.29 5.21 0.00 -1.26 -4.66 121.76 123.58 1i9r s ALA 148 Ca 0.69 0.61 -0.29 0.00 0.00 0.00 0.00 51.96 52.97 1i9r s ALA 148 Cb -0.30 -2.27 -0.10 0.00 0.00 0.00 0.00 23.12 20.45 1i9r s ALA 148 CO 0.26 -1.77 1.12 0.21 0.00 0.00 0.00 175.76 175.58 1i9r s LYS 149 N 2.67 4.58 -0.39 0.00 2.20 -0.43 -4.86 119.74 123.51 1i9r s LYS 149 Ca 0.10 1.84 0.03 0.00 -0.36 0.00 0.00 55.97 57.58 1i9r s LYS 149 Cb -0.11 -3.14 0.16 0.00 -1.51 0.00 0.00 37.83 33.22 1i9r s LYS 149 CO -0.28 0.14 0.32 0.08 -0.36 0.00 0.00 175.35 175.25 1i9r s VAL 150 N -1.18 0.11 0.35 4.02 1.01 -1.26 -0.21 120.40 123.24 1i9r s VAL 150 Ca 0.46 -2.03 -0.20 0.00 0.00 0.00 0.00 61.98 60.20 1i9r s VAL 150 Cb -0.32 -1.06 -0.10 0.00 0.00 0.00 0.00 36.38 34.89 1i9r s VAL 150 CO 0.42 -1.01 0.86 -1.10 0.00 0.00 0.00 175.10 174.27 1i9r s GLN 151 N 0.62 4.23 0.01 2.72 -0.21 0.46 -4.83 119.66 122.66 1i9r s GLN 151 Ca 0.26 0.99 0.04 0.00 0.02 0.00 0.00 55.36 56.67 1i9r s GLN 151 Cb -0.08 -2.46 -0.03 0.00 1.00 0.00 0.00 33.01 31.44 1i9r s GLN 151 CO -0.10 0.14 -0.07 -1.58 -2.12 0.00 0.00 175.29 171.56 1i9r s TRP 152 N -1.93 2.88 -0.10 0.91 0.52 -1.26 -0.12 118.94 119.83 1i9r s TRP 152 Ca 0.55 -0.05 -0.03 0.00 0.02 0.00 0.00 56.10 56.60 1i9r s TRP 152 Cb -0.12 -1.59 0.04 0.00 -1.15 0.00 0.00 33.47 30.65 1i9r s TRP 152 CO 0.17 0.38 0.06 0.15 0.02 0.00 0.00 176.95 177.73 1i9r s LYS 153 N -1.51 0.16 -0.26 4.98 1.02 0.16 0.12 119.74 124.40 1i9r s LYS 153 Ca 0.18 0.10 -0.08 0.00 0.02 0.00 0.00 55.97 56.19 1i9r s LYS 153 Cb -0.11 -1.18 -0.02 0.00 -0.52 0.00 0.00 37.83 36.00 1i9r s LYS 153 CO 0.08 -0.47 0.08 0.08 -0.92 0.00 0.00 175.35 174.21 1i9r s VAL 154 N 2.09 4.29 -1.42 3.17 1.01 0.06 -0.33 120.40 129.28 1i9r s VAL 154 Ca 0.03 -0.28 -0.01 0.00 0.00 0.00 0.00 61.98 61.72 1i9r s VAL 154 Cb -0.14 -3.06 0.01 0.00 0.00 0.00 0.00 36.38 33.19 1i9r s VAL 154 CO -0.06 0.27 0.45 0.47 0.00 0.00 0.00 175.10 176.23 1i9r n ASP 155 N 4.92 -0.55 0.00 3.32 9.92 0.17 0.15 116.55 134.49 1i9r n ASP 155 Ca -0.16 -0.99 0.00 0.00 -0.53 0.00 0.00 54.79 53.11 1i9r n ASP 155 Cb 0.51 -3.10 0.00 0.00 -0.64 0.00 0.00 41.12 37.89 1i9r n ASP 155 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1i9r n ASN 156 N -2.97 0.00 -4.56 -2.24 3.02 -1.26 -4.92 115.26 102.33 1i9r n ASN 156 Ca -0.29 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 53.85 1i9r n ASN 156 Cb 0.67 -0.52 -0.03 0.00 -0.61 0.00 0.00 39.78 39.29 1i9r n ASN 156 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1i9r s ALA 157 N -2.00 2.71 -0.51 5.41 0.00 0.39 -4.93 121.76 122.83 1i9r s ALA 157 Ca 0.00 -1.13 -0.28 0.00 0.00 0.00 0.00 51.96 50.55 1i9r s ALA 157 Cb 0.00 -4.22 -0.09 0.00 0.00 0.00 0.00 23.12 18.81 1i9r s ALA 157 CO 0.00 -3.26 2.41 -0.11 0.00 0.00 0.00 175.76 174.80 1i9r n LEU 158 N 9.75 2.18 -4.26 0.00 -0.00 -1.26 -0.76 117.00 122.65 1i9r n LEU 158 Ca 0.07 -0.26 -0.34 0.00 -0.00 0.00 0.00 56.01 55.48 1i9r n LEU 158 Cb 0.49 -1.48 0.11 0.00 -0.00 0.00 0.00 43.42 42.55 1i9r n LEU 158 CO 0.71 -1.29 -0.67 0.00 -0.00 0.00 0.00 177.39 176.14 1i9r n GLN 159 N 8.85 -0.57 0.00 1.96 1.13 0.31 -4.86 117.38 124.21 1i9r n GLN 159 Ca 0.40 -0.14 0.00 0.00 -1.94 0.00 0.00 57.00 55.32 1i9r n GLN 159 Cb 0.45 -1.56 0.00 0.00 0.11 0.00 0.00 30.24 29.23 1i9r n GLN 159 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1i9r n SER 160 N 0.00 0.00 0.00 1.08 2.88 -1.26 -4.58 113.62 111.74 1i9r n SER 160 Ca 0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 1i9r n SER 160 Cb 0.59 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.05 1i9r n SER 160 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1i9r n GLY 161 N 0.00 0.74 2.92 0.46 0.00 -1.26 -4.93 105.19 103.12 1i9r n GLY 161 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1i9r n GLY 161 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1i9r s ASN 162 N -1.24 1.51 -0.07 1.61 0.01 -1.26 -5.08 114.94 110.42 1i9r s ASN 162 Ca 0.00 -0.21 -0.24 0.00 -0.71 0.00 0.00 52.86 51.70 1i9r s ASN 162 Cb 0.00 -0.63 0.05 0.00 0.41 0.00 0.00 41.25 41.08 1i9r s ASN 162 CO 0.00 -0.06 0.55 -0.94 -1.51 0.00 0.00 177.10 175.14 1i9r s SER 163 N 1.13 -0.50 -0.11 -1.22 1.04 -1.26 -3.92 113.70 108.85 1i9r s SER 163 Ca -0.07 0.60 0.01 0.00 0.48 0.00 0.00 55.95 56.98 1i9r s SER 163 Cb -0.14 0.59 0.02 0.00 0.10 0.00 0.00 66.02 66.58 1i9r s SER 163 CO -0.01 -0.48 -0.13 -1.10 0.98 0.00 0.00 173.24 172.49 1i9r s GLN 164 N -0.96 2.02 0.13 4.02 -0.21 -1.18 -4.91 119.66 118.57 1i9r s GLN 164 Ca -0.10 -0.48 -0.04 0.00 0.02 0.00 0.00 55.36 54.76 1i9r s GLN 164 Cb -0.02 -1.78 -0.05 0.00 1.00 0.00 0.00 33.01 32.15 1i9r s GLN 164 CO 0.07 -0.11 0.35 -1.21 -2.12 0.00 0.00 175.29 172.27 1i9r s GLU 165 N 1.13 3.59 -0.01 2.91 2.02 -1.26 -0.39 118.70 126.69 1i9r s GLU 165 Ca -0.04 -0.14 -0.07 0.00 0.02 0.00 0.00 54.97 54.74 1i9r s GLU 165 Cb -0.14 -2.88 0.00 0.00 0.10 0.00 0.00 34.13 31.21 1i9r s GLU 165 CO -0.03 0.49 0.14 0.45 0.02 0.00 0.00 175.26 176.33 1i9r s SER 166 N -2.43 -0.02 0.31 -0.19 0.15 -0.96 -4.94 113.70 105.62 1i9r s SER 166 Ca 0.40 -0.08 0.03 0.00 0.70 0.00 0.00 55.95 57.00 1i9r s SER 166 Cb -0.12 0.24 -0.05 0.00 -1.71 0.00 0.00 66.02 64.37 1i9r s SER 166 CO 0.25 -0.29 0.09 -0.69 1.20 0.00 0.00 173.24 173.80 1i9r s VAL 167 N -1.01 0.77 0.23 4.45 1.01 -1.26 -0.43 120.40 124.16 1i9r s VAL 167 Ca -0.11 -2.00 0.11 0.00 0.00 0.00 0.00 61.98 59.98 1i9r s VAL 167 Cb -0.06 -2.65 -0.05 0.00 0.00 0.00 0.00 36.38 33.63 1i9r s VAL 167 CO 0.01 0.00 -0.19 0.42 0.00 0.00 0.00 175.10 175.34 1i9r s THR 168 N -3.51 2.58 0.61 3.92 -4.23 -0.93 -4.99 115.64 109.09 1i9r s THR 168 Ca 0.35 -2.12 -0.15 0.00 -1.18 0.00 0.00 61.69 58.60 1i9r s THR 168 Cb 0.07 -2.29 -0.03 0.00 1.34 0.00 0.00 72.50 71.59 1i9r s THR 168 CO 0.15 -0.24 1.07 -1.61 -0.54 0.00 0.00 174.62 173.45 1i9r s GLU 169 N -3.06 3.18 0.08 3.99 8.01 -1.26 -4.54 118.70 125.09 1i9r s GLU 169 Ca 0.25 1.22 -0.36 0.00 0.01 0.00 0.00 54.97 56.09 1i9r s GLU 169 Cb -0.07 -2.01 -0.19 0.00 -4.31 0.00 0.00 34.13 27.55 1i9r s GLU 169 CO 0.13 -0.92 0.95 1.04 0.01 0.00 0.00 175.26 176.47 1i9r n GLN 170 N -2.20 0.18 -1.76 1.61 6.02 -1.26 -4.79 117.38 115.19 1i9r n GLN 170 Ca 0.09 0.07 -0.40 0.00 -0.01 0.00 0.00 57.00 56.75 1i9r n GLN 170 Cb 0.53 -1.44 0.02 0.00 1.02 0.00 0.00 30.24 30.37 1i9r n GLN 170 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1i9r n ASP 171 N 1.74 3.24 0.12 1.08 2.03 -0.89 -4.72 116.55 119.15 1i9r n ASP 171 Ca 0.19 1.11 0.12 0.00 0.52 0.00 0.00 54.79 56.73 1i9r n ASP 171 Cb 0.15 -1.60 0.48 0.00 -0.72 0.00 0.00 41.12 39.43 1i9r n ASP 171 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1i9r n SER 172 N -0.21 0.68 -0.07 1.67 3.41 -1.26 -0.93 113.62 116.91 1i9r n SER 172 Ca 0.06 0.65 -0.07 0.00 -0.26 0.00 0.00 58.87 59.24 1i9r n SER 172 Cb 0.41 -0.80 -0.02 0.00 -0.26 0.00 0.00 64.21 63.54 1i9r n SER 172 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1i9r n LYS 173 N -2.23 0.41 -0.09 4.33 5.02 -1.26 -4.75 118.16 119.59 1i9r n LYS 173 Ca 0.03 0.19 0.10 0.00 -2.02 0.00 0.00 58.31 56.61 1i9r n LYS 173 Cb 0.26 -1.25 0.14 0.00 -0.02 0.00 0.00 35.03 34.17 1i9r n LYS 173 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1i9r n ASP 174 N -4.04 3.01 -3.77 4.39 5.68 -1.25 -4.98 116.55 115.58 1i9r n ASP 174 Ca -0.11 -1.90 -0.23 0.00 -0.50 0.00 0.00 54.79 52.05 1i9r n ASP 174 Cb 0.39 -0.12 0.02 0.00 -1.14 0.00 0.00 41.12 40.27 1i9r n ASP 174 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1i9r n SER 175 N 1.23 -1.35 -4.13 -1.12 7.64 -0.11 -4.85 113.62 110.92 1i9r n SER 175 Ca 0.15 -0.89 -0.17 0.00 1.01 0.00 0.00 58.87 58.96 1i9r n SER 175 Cb 0.53 -3.70 -0.12 0.00 -1.01 0.00 0.00 64.21 59.91 1i9r n SER 175 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1i9r s THR 176 N -3.74 0.93 0.87 0.44 -4.23 -1.26 -4.56 115.64 104.09 1i9r s THR 176 Ca 0.05 -1.19 -0.13 0.00 -1.18 0.00 0.00 61.69 59.24 1i9r s THR 176 Cb -0.02 -0.92 0.13 0.00 1.34 0.00 0.00 72.50 73.04 1i9r s THR 176 CO 0.84 -0.24 1.23 -0.31 -0.54 0.00 0.00 174.62 175.60 1i9r s TYR 177 N -1.23 2.38 -0.30 3.99 2.02 0.28 -2.09 117.35 122.40 1i9r s TYR 177 Ca -0.04 0.55 -0.11 0.00 -0.37 0.00 0.00 57.07 57.10 1i9r s TYR 177 Cb -0.10 -3.74 0.13 0.00 -0.40 0.00 0.00 41.96 37.86 1i9r s TYR 177 CO 0.02 -2.12 0.70 -1.12 -1.57 0.00 0.00 175.55 171.46 1i9r s SER 178 N -4.71 -1.06 0.23 2.29 0.01 -1.26 -0.01 113.70 109.19 1i9r s SER 178 Ca 0.67 1.46 0.09 0.00 1.31 0.00 0.00 55.95 59.47 1i9r s SER 178 Cb -0.08 2.19 -0.04 0.00 0.21 0.00 0.00 66.02 68.30 1i9r s SER 178 CO 0.50 -0.20 -0.01 -0.22 0.41 0.00 0.00 173.24 173.72 1i9r s LEU 179 N 2.81 3.21 -0.28 2.44 0.20 -1.02 -2.20 118.68 123.85 1i9r s LEU 179 Ca -0.06 -0.56 -0.02 0.00 0.69 0.00 0.00 54.13 54.18 1i9r s LEU 179 Cb -0.11 -1.79 0.09 0.00 -0.43 0.00 0.00 46.19 43.95 1i9r s LEU 179 CO -0.19 0.04 0.10 -0.94 -0.29 0.00 0.00 176.35 175.07 1i9r s SER 180 N -3.37 3.60 -0.21 3.68 1.04 0.43 -1.99 113.70 116.88 1i9r s SER 180 Ca 0.29 -1.34 -0.19 0.00 0.48 0.00 0.00 55.95 55.19 1i9r s SER 180 Cb -0.08 -0.62 -0.03 0.00 0.10 0.00 0.00 66.02 65.40 1i9r s SER 180 CO 0.19 -0.40 0.57 -0.55 0.98 0.00 0.00 173.24 174.03 1i9r s SER 181 N 1.84 6.60 -0.52 7.02 0.15 -0.92 -2.26 113.70 125.63 1i9r s SER 181 Ca 0.07 0.73 -0.01 0.00 0.70 0.00 0.00 55.95 57.44 1i9r s SER 181 Cb -0.17 -2.32 0.14 0.00 -1.71 0.00 0.00 66.02 61.96 1i9r s SER 181 CO -0.26 -0.24 0.30 -0.89 1.20 0.00 0.00 173.24 173.36 1i9r s THR 182 N 1.86 3.23 0.47 6.45 2.01 0.47 -1.31 115.64 128.83 1i9r s THR 182 Ca 0.26 -2.73 -0.23 0.00 0.31 0.00 0.00 61.69 59.30 1i9r s THR 182 Cb -0.16 -3.18 -0.07 0.00 0.01 0.00 0.00 72.50 69.10 1i9r s THR 182 CO 0.10 -0.78 1.25 -0.22 -0.69 0.00 0.00 174.62 174.27 1i9r s LEU 183 N 0.31 4.03 -0.18 4.42 2.96 0.07 -3.10 118.68 127.18 1i9r s LEU 183 Ca 0.14 2.51 -0.05 0.00 -0.22 0.00 0.00 54.13 56.51 1i9r s LEU 183 Cb -0.22 -4.16 0.07 0.00 0.50 0.00 0.00 46.19 42.38 1i9r s LEU 183 CO -0.03 -1.06 0.14 0.28 -1.32 0.00 0.00 176.35 174.35 1i9r s THR 184 N -1.41 -0.18 0.41 3.68 -1.32 -1.25 0.15 115.64 115.72 1i9r s THR 184 Ca 0.64 -0.16 0.08 0.00 -1.21 0.00 0.00 61.69 61.04 1i9r s THR 184 Cb -0.34 -0.62 -0.03 0.00 -1.51 0.00 0.00 72.50 70.00 1i9r s THR 184 CO 0.42 -0.26 0.30 -0.76 -2.21 0.00 0.00 174.62 172.10 1i9r s LEU 185 N 2.21 3.30 0.05 9.08 1.43 0.13 -4.97 118.68 129.91 1i9r s LEU 185 Ca 0.04 -0.86 -0.22 0.00 -1.03 0.00 0.00 54.13 52.07 1i9r s LEU 185 Cb -0.16 -1.83 -0.06 0.00 0.03 0.00 0.00 46.19 44.17 1i9r s LEU 185 CO -0.11 -0.59 0.64 -0.94 0.23 0.00 0.00 176.35 175.58 1i9r s SER 186 N -4.04 7.10 0.29 2.29 1.04 -1.26 -1.61 113.70 117.51 1i9r s SER 186 Ca 0.45 1.31 0.19 0.00 0.48 0.00 0.00 55.95 58.38 1i9r s SER 186 Cb -0.01 -2.40 1.01 0.00 0.10 0.00 0.00 66.02 64.72 1i9r s SER 186 CO 0.26 0.15 1.11 1.17 0.98 0.00 0.00 173.24 176.91 1i9r n LYS 187 N 2.28 -0.03 0.00 4.02 0.00 0.76 0.11 118.16 125.29 1i9r n LYS 187 Ca -0.07 0.93 0.00 0.00 0.00 0.00 0.00 58.31 59.17 1i9r n LYS 187 Cb 0.50 -1.75 0.00 0.00 0.00 0.00 0.00 35.03 33.78 1i9r n LYS 187 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1i9r n ALA 188 N -2.51 -0.23 -0.32 3.14 0.00 -1.26 -1.12 120.51 118.20 1i9r n ALA 188 Ca 0.28 0.00 0.22 0.00 0.00 0.00 0.00 53.44 53.94 1i9r n ALA 188 Cb 1.01 0.00 0.43 0.00 0.00 0.00 0.00 19.45 20.90 1i9r n ALA 188 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1i9r h ASP 189 N 0.00 0.15 0.75 0.00 5.19 0.36 0.10 116.42 122.97 1i9r h ASP 189 Ca 0.00 0.23 -0.04 0.00 -0.62 0.00 0.00 57.03 56.60 1i9r h ASP 189 Cb 0.00 0.27 0.01 0.00 0.18 0.00 0.00 39.33 39.79 1i9r h ASP 189 CO 0.00 -0.28 -0.36 0.22 -3.12 0.00 0.00 179.24 175.71 1i9r h TYR 190 N 0.14 -0.93 0.00 4.55 3.20 -0.49 -1.10 116.97 122.35 1i9r h TYR 190 Ca 0.70 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.55 1i9r h TYR 190 Cb 1.64 0.31 0.00 0.00 1.54 0.00 0.00 36.73 40.22 1i9r h TYR 190 CO -0.16 -0.57 0.07 0.39 -1.64 0.00 0.00 178.16 176.24 1i9r n GLU 191 N -5.52 0.10 0.07 1.82 1.02 0.17 -1.45 120.64 116.85 1i9r n GLU 191 Ca -0.14 0.58 0.13 0.00 -0.02 0.00 0.00 57.16 57.71 1i9r n GLU 191 Cb 0.40 -1.88 0.46 0.00 -0.02 0.00 0.00 31.44 30.40 1i9r n GLU 191 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1i9r n LYS 192 N -2.03 0.18 -4.44 3.49 2.85 -0.15 -4.93 118.16 113.13 1i9r n LYS 192 Ca -0.01 0.14 -0.22 0.00 -1.05 0.00 0.00 58.31 57.17 1i9r n LYS 192 Cb 0.09 -1.70 -0.10 0.00 -0.65 0.00 0.00 35.03 32.67 1i9r n LYS 192 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 1i9r s HIS 193 N -3.07 1.97 -0.12 5.58 3.76 -0.52 -5.08 115.29 117.81 1i9r s HIS 193 Ca 0.11 -0.79 -0.11 0.00 -0.15 0.00 0.00 55.06 54.13 1i9r s HIS 193 Cb 0.15 -1.20 -0.04 0.00 1.11 0.00 0.00 32.58 32.60 1i9r s HIS 193 CO 0.58 0.19 -0.21 1.17 -0.85 0.00 0.00 174.74 175.62 1i9r n LYS 194 N -0.63 0.38 -4.17 1.40 3.00 -1.26 -4.68 118.16 112.20 1i9r n LYS 194 Ca -0.04 0.28 -0.34 0.00 -0.00 0.00 0.00 58.31 58.20 1i9r n LYS 194 Cb 0.65 -1.31 -0.13 0.00 0.00 0.00 0.00 35.03 34.23 1i9r n LYS 194 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 1i9r s VAL 195 N -2.25 3.69 -0.11 3.15 -7.23 -1.26 -1.57 120.40 114.83 1i9r s VAL 195 Ca -0.18 -0.41 -0.01 0.00 -1.81 0.00 0.00 61.98 59.58 1i9r s VAL 195 Cb 0.02 -2.65 -0.03 0.00 0.56 0.00 0.00 36.38 34.29 1i9r s VAL 195 CO 0.26 0.45 -0.07 -0.31 -0.31 0.00 0.00 175.10 175.12 1i9r s TYR 196 N 0.94 2.93 -0.17 2.82 2.02 -0.77 0.46 117.35 125.58 1i9r s TYR 196 Ca 0.00 -0.21 -0.08 0.00 -0.37 0.00 0.00 57.07 56.41 1i9r s TYR 196 Cb -0.15 -1.81 0.07 0.00 -0.40 0.00 0.00 41.96 39.67 1i9r s TYR 196 CO 0.01 0.11 0.39 0.00 -1.57 0.00 0.00 175.55 174.49 1i9r s ALA 197 N -0.22 -1.01 -0.22 3.71 0.00 0.55 -2.16 121.76 122.42 1i9r s ALA 197 Ca 0.03 1.44 -0.11 0.00 0.00 0.00 0.00 51.96 53.32 1i9r s ALA 197 Cb -0.13 -1.02 -0.05 0.00 0.00 0.00 0.00 23.12 21.92 1i9r s ALA 197 CO 0.03 -0.42 0.18 0.00 0.00 0.00 0.00 175.76 175.55 1i9r s GLU 199 N 0.80 3.24 -0.09 0.00 2.12 0.83 -1.47 118.70 124.13 1i9r s GLU 199 Ca 0.09 -0.71 -0.00 0.00 0.36 0.00 0.00 54.97 54.71 1i9r s GLU 199 Cb -0.13 -2.97 -0.03 0.00 0.26 0.00 0.00 34.13 31.27 1i9r s GLU 199 CO 0.03 -0.24 -0.06 0.54 -0.54 0.00 0.00 175.26 174.98 1i9r s VAL 200 N 1.43 3.74 -0.03 3.70 0.11 -0.70 -0.40 120.40 128.26 1i9r s VAL 200 Ca 0.05 -0.45 0.07 0.00 -2.93 0.00 0.00 61.98 58.72 1i9r s VAL 200 Cb -0.15 -2.55 -0.02 0.00 -1.53 0.00 0.00 36.38 32.13 1i9r s VAL 200 CO -0.04 0.58 -0.24 -0.89 -3.33 0.00 0.00 175.10 171.17 1i9r s THR 201 N -0.57 2.22 -0.29 5.04 2.01 0.71 -2.45 115.64 122.30 1i9r s THR 201 Ca 0.09 -1.04 -0.16 0.00 0.31 0.00 0.00 61.69 60.88 1i9r s THR 201 Cb -0.12 -1.79 0.18 0.00 0.01 0.00 0.00 72.50 70.79 1i9r s THR 201 CO 0.02 0.58 1.15 -2.28 -0.69 0.00 0.00 174.62 173.40 1i9r s HIS 202 N -0.58 -0.27 0.07 4.92 5.04 -1.26 -1.31 115.29 121.91 1i9r s HIS 202 Ca 0.09 0.54 -0.03 0.00 -1.54 0.00 0.00 55.06 54.12 1i9r s HIS 202 Cb -0.11 0.17 0.11 0.00 0.04 0.00 0.00 32.58 32.80 1i9r s HIS 202 CO -0.00 -0.13 0.42 0.94 -2.34 0.00 0.00 174.74 173.63 1i9r n GLN 203 N 3.29 -0.03 0.25 2.88 7.27 -1.26 0.24 117.38 130.01 1i9r n GLN 203 Ca -0.18 0.42 -0.15 0.00 0.07 0.00 0.00 57.00 57.17 1i9r n GLN 203 Cb 0.57 -0.63 -0.08 0.00 2.41 0.00 0.00 30.24 32.51 1i9r n GLN 203 CO 0.00 0.00 0.00 0.78 0.07 0.00 0.00 177.06 177.91 1i9r h GLY 204 N 0.00 -1.15 -5.86 1.69 0.00 -1.85 -3.41 103.07 92.48 1i9r h GLY 204 Ca 0.12 0.52 -0.71 0.00 0.00 0.00 0.00 47.33 47.27 1i9r h GLY 204 CO -0.28 -0.36 0.65 1.04 0.00 0.00 0.00 176.54 177.60 1i9r n LEU 205 N -4.87 1.96 0.31 3.11 4.32 0.14 -4.76 117.00 117.20 1i9r n LEU 205 Ca -0.10 1.10 0.18 0.00 -0.02 0.00 0.00 56.01 57.17 1i9r n LEU 205 Cb 0.37 -1.16 0.98 0.00 -1.62 0.00 0.00 43.42 41.99 1i9r n LEU 205 CO 0.22 -0.78 1.11 -1.28 -1.22 0.00 0.00 177.39 175.44 1i9r h SER 206 N 5.74 0.00 -4.53 -1.43 0.87 -1.83 -3.44 113.55 108.93 1i9r h SER 206 Ca -0.47 0.00 0.11 0.00 -1.23 0.00 0.00 61.79 60.20 1i9r h SER 206 Cb 1.33 0.00 -0.17 0.00 -0.44 0.00 0.00 62.40 63.12 1i9r h SER 206 CO 0.86 0.02 0.52 -0.44 -0.53 0.00 0.00 176.83 177.26 1i9r s SER 207 N -5.76 -0.35 -0.44 6.23 0.01 -1.26 -5.11 113.70 107.02 1i9r s SER 207 Ca -0.04 0.07 -0.38 0.00 1.31 0.00 0.00 55.95 56.91 1i9r s SER 207 Cb 0.14 0.36 -0.15 0.00 0.21 0.00 0.00 66.02 66.57 1i9r s SER 207 CO 0.50 -0.55 2.20 -2.65 0.41 0.00 0.00 173.24 173.16 1i9r n PRO 208 N -0.06 0.62 -2.81 12.44 -0.02 -1.26 -4.90 135.00 139.00 1i9r n PRO 208 Ca -0.08 0.16 -0.42 0.00 -2.02 0.00 0.00 63.50 61.14 1i9r n PRO 208 Cb 0.61 -2.08 -0.03 0.00 -0.02 0.00 0.00 33.50 31.97 1i9r n PRO 208 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1i9r s VAL 209 N 7.03 4.83 0.02 -1.45 1.01 -1.03 -4.92 120.40 125.90 1i9r s VAL 209 Ca 1.14 1.78 0.02 0.00 0.00 0.00 0.00 61.98 64.93 1i9r s VAL 209 Cb -1.10 -4.20 -0.04 0.00 0.00 0.00 0.00 36.38 31.04 1i9r s VAL 209 CO 0.55 -0.00 0.01 -0.89 0.00 0.00 0.00 175.10 174.76 1i9r s THR 210 N 2.22 4.18 -0.19 3.92 2.01 -1.26 -1.71 115.64 124.81 1i9r s THR 210 Ca 0.42 -0.66 -0.03 0.00 0.31 0.00 0.00 61.69 61.73 1i9r s THR 210 Cb -0.17 -2.90 0.06 0.00 0.01 0.00 0.00 72.50 69.51 1i9r s THR 210 CO 0.13 0.32 0.05 -0.75 -0.69 0.00 0.00 174.62 173.69 1i9r s LYS 211 N -1.72 0.48 0.41 4.92 2.47 -0.55 -5.00 119.74 120.76 1i9r s LYS 211 Ca 0.21 -0.32 0.03 0.00 -1.56 0.00 0.00 55.97 54.33 1i9r s LYS 211 Cb -0.12 -2.03 -0.04 0.00 -1.46 0.00 0.00 37.83 34.19 1i9r s LYS 211 CO 0.12 -0.65 0.06 -1.54 0.16 0.00 0.00 175.35 173.51 1i9r s SER 212 N 1.94 3.16 0.07 1.43 1.04 -1.26 -2.12 113.70 117.96 1i9r s SER 212 Ca -0.00 -1.56 -0.26 0.00 0.48 0.00 0.00 55.95 54.61 1i9r s SER 212 Cb -0.17 0.26 0.09 0.00 0.10 0.00 0.00 66.02 66.30 1i9r s SER 212 CO -0.08 -0.78 0.78 0.72 0.98 0.00 0.00 173.24 174.86 1i9r s PHE 213 N -3.09 -0.41 0.02 5.02 -0.71 -0.92 -5.01 117.98 112.89 1i9r s PHE 213 Ca 0.24 0.23 0.08 0.00 -1.04 0.00 0.00 56.93 56.43 1i9r s PHE 213 Cb 0.05 0.56 -0.02 0.00 -1.21 0.00 0.00 43.02 42.39 1i9r s PHE 213 CO 0.12 -0.69 -0.25 -0.80 -1.34 0.00 0.00 175.22 172.26 1i9r s ASN 214 N -2.62 2.94 0.00 1.98 -0.87 -1.26 -1.85 114.94 113.27 1i9r s ASN 214 Ca 0.04 -0.52 0.00 0.00 -1.57 0.00 0.00 52.86 50.81 1i9r s ASN 214 Cb -0.01 -0.29 0.00 0.00 -0.02 0.00 0.00 41.25 40.93 1i9r s ASN 214 CO -0.10 0.26 0.34 0.54 -2.57 0.00 0.00 177.10 175.57