#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 3.91 -0.16 0.53 1.01 -1.26 -5.03 121.20 120.20 1i9r s ILE 2 Ca 0.00 1.49 0.01 0.00 0.00 0.00 0.00 60.65 62.15 1i9r s ILE 2 Cb 0.00 -3.78 0.02 0.00 0.01 0.00 0.00 42.46 38.71 1i9r s ILE 2 CO 0.00 0.03 -0.19 -0.69 0.00 0.00 0.00 174.94 174.09 1i9r s VAL 3 N -1.67 1.94 -0.17 2.92 1.01 -1.26 -4.86 120.40 118.31 1i9r s VAL 3 Ca 0.55 -0.88 -0.08 0.00 0.00 0.00 0.00 61.98 61.58 1i9r s VAL 3 Cb -0.20 -1.75 -0.04 0.00 0.00 0.00 0.00 36.38 34.39 1i9r s VAL 3 CO 0.26 0.52 0.09 -0.76 0.00 0.00 0.00 175.10 175.21 1i9r s LEU 4 N 1.16 3.99 -0.18 3.92 1.43 -1.23 -1.25 118.68 126.51 1i9r s LEU 4 Ca 0.01 0.18 0.00 0.00 -1.03 0.00 0.00 54.13 53.29 1i9r s LEU 4 Cb -0.14 -2.00 0.01 0.00 0.03 0.00 0.00 46.19 44.09 1i9r s LEU 4 CO -0.09 0.22 -0.17 -0.89 0.23 0.00 0.00 176.35 175.66 1i9r s THR 5 N 0.09 2.34 0.69 5.49 2.01 0.32 -3.81 115.64 122.77 1i9r s THR 5 Ca 0.07 -0.85 0.02 0.00 0.31 0.00 0.00 61.69 61.24 1i9r s THR 5 Cb -0.12 -2.00 0.12 0.00 0.01 0.00 0.00 72.50 70.51 1i9r s THR 5 CO 0.00 0.52 0.95 -1.10 -0.69 0.00 0.00 174.62 174.29 1i9r s GLN 6 N 1.25 1.81 0.00 4.92 -0.21 -1.26 -0.59 119.66 125.58 1i9r s GLN 6 Ca 0.03 -1.30 0.00 0.00 0.02 0.00 0.00 55.36 54.12 1i9r s GLN 6 Cb -0.14 -2.42 0.00 0.00 1.00 0.00 0.00 33.01 31.46 1i9r s GLN 6 CO -0.09 -1.32 0.00 0.45 -2.12 0.00 0.00 175.29 172.21 1i9r n SER 7 N -2.69 0.00 -4.25 5.90 2.88 -0.63 -4.72 113.62 110.12 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 0.21 0.00 -0.75 0.00 0.00 64.21 64.28 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 -1.09 -0.41 0.07 -1.46 0.04 -1.26 -1.88 135.00 129.00 1i9r s PRO 8 Ca 0.00 0.20 -0.09 0.00 0.04 0.00 0.00 61.00 61.15 1i9r s PRO 8 Cb 0.00 -1.67 -0.28 0.00 0.04 0.00 0.00 34.50 32.60 1i9r s PRO 8 CO 0.00 -3.23 1.12 0.00 0.04 0.00 0.00 177.00 174.94 1i9r h ALA 9 N -2.24 0.05 -3.34 8.56 0.00 -1.84 -3.43 119.26 117.02 1i9r h ALA 9 Ca -0.50 -0.84 -0.58 0.00 0.00 0.00 0.00 54.91 52.99 1i9r h ALA 9 Cb 1.31 0.06 -0.34 0.00 0.00 0.00 0.00 17.79 18.83 1i9r h ALA 9 CO 0.46 0.84 -0.84 0.99 0.00 0.00 0.00 179.25 180.70 1i9r s THR 10 N -2.77 1.50 -0.21 0.00 2.01 -1.26 0.51 115.64 115.43 1i9r s THR 10 Ca -0.06 -0.68 0.01 0.00 0.31 0.00 0.00 61.69 61.28 1i9r s THR 10 Cb 0.06 -1.35 0.04 0.00 0.01 0.00 0.00 72.50 71.26 1i9r s THR 10 CO 0.91 0.44 -0.14 -0.22 -0.69 0.00 0.00 174.62 174.91 1i9r s LEU 11 N 0.70 2.52 -0.31 4.42 1.98 0.10 -4.92 118.68 123.17 1i9r s LEU 11 Ca -0.13 -0.92 -0.09 0.00 -2.89 0.00 0.00 54.13 50.10 1i9r s LEU 11 Cb -0.16 -1.41 -0.01 0.00 0.66 0.00 0.00 46.19 45.27 1i9r s LEU 11 CO 0.03 -0.10 0.14 -0.44 -1.89 0.00 0.00 176.35 174.10 1i9r s SER 12 N 1.28 5.49 0.20 3.68 0.01 -1.26 0.57 113.70 123.67 1i9r s SER 12 Ca -0.01 -0.52 0.04 0.00 1.31 0.00 0.00 55.95 56.77 1i9r s SER 12 Cb -0.16 -1.99 -0.05 0.00 0.21 0.00 0.00 66.02 64.04 1i9r s SER 12 CO -0.09 -0.19 -0.04 0.54 0.41 0.00 0.00 173.24 173.87 1i9r s VAL 13 N 1.60 1.09 0.25 3.43 0.11 -0.42 -4.52 120.40 121.94 1i9r s VAL 13 Ca 0.04 -2.05 0.08 0.00 -2.93 0.00 0.00 61.98 57.13 1i9r s VAL 13 Cb -0.17 -2.14 -0.04 0.00 -1.53 0.00 0.00 36.38 32.50 1i9r s VAL 13 CO 0.06 -0.50 0.12 -0.94 -3.33 0.00 0.00 175.10 170.50 1i9r s SER 14 N -3.25 5.15 0.61 3.54 1.04 -1.26 0.22 113.70 119.76 1i9r s SER 14 Ca 0.24 -0.39 -0.19 0.00 0.48 0.00 0.00 55.95 56.09 1i9r s SER 14 Cb 0.04 -1.19 -0.03 0.00 0.10 0.00 0.00 66.02 64.94 1i9r s SER 14 CO 0.05 -0.02 1.27 -2.84 0.98 0.00 0.00 173.24 172.68 1i9r s PRO 15 N -3.73 2.80 0.00 4.02 0.02 -1.26 -0.08 135.00 136.77 1i9r s PRO 15 Ca 0.32 1.99 0.00 0.00 0.02 0.00 0.00 61.00 63.33 1i9r s PRO 15 Cb -0.07 -1.93 0.00 0.00 0.02 0.00 0.00 34.50 32.51 1i9r s PRO 15 CO 0.23 -1.38 0.00 0.41 -0.33 0.00 0.00 177.00 175.92 1i9r n GLY 16 N 0.73 2.44 3.87 0.52 0.00 0.16 -4.90 105.19 108.01 1i9r n GLY 16 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.29 3.73 0.08 1.61 2.12 0.88 -4.68 118.70 122.16 1i9r s GLU 17 Ca 0.00 0.12 -0.19 0.00 0.36 0.00 0.00 54.97 55.26 1i9r s GLU 17 Cb 0.00 -2.96 -0.07 0.00 0.26 0.00 0.00 34.13 31.36 1i9r s GLU 17 CO 0.00 0.54 0.57 0.50 -0.54 0.00 0.00 175.26 176.32 1i9r s ARG 18 N -2.07 4.19 -0.01 4.30 3.52 -1.26 -0.59 118.95 127.02 1i9r s ARG 18 Ca 0.35 0.72 0.02 0.00 -0.13 0.00 0.00 55.73 56.69 1i9r s ARG 18 Cb -0.13 -3.22 -0.00 0.00 -1.56 0.00 0.00 34.95 30.03 1i9r s ARG 18 CO 0.19 0.63 -0.08 0.00 -0.81 0.00 0.00 175.30 175.23 1i9r s ALA 19 N -1.13 0.71 -0.08 6.12 0.00 -1.13 -4.97 121.76 121.27 1i9r s ALA 19 Ca 0.29 -0.33 -0.02 0.00 0.00 0.00 0.00 51.96 51.91 1i9r s ALA 19 Cb -0.19 -0.21 0.03 0.00 0.00 0.00 0.00 23.12 22.75 1i9r s ALA 19 CO 0.19 0.15 0.03 0.95 0.00 0.00 0.00 175.76 177.08 1i9r s THR 20 N -0.06 0.25 0.37 0.00 -4.23 -1.26 -1.47 115.64 109.23 1i9r s THR 20 Ca 0.01 0.10 0.01 0.00 -1.18 0.00 0.00 61.69 60.64 1i9r s THR 20 Cb -0.05 -0.50 -0.02 0.00 1.34 0.00 0.00 72.50 73.27 1i9r s THR 20 CO -0.00 0.15 0.57 -0.63 -0.54 0.00 0.00 174.62 174.17 1i9r s ILE 21 N 2.02 4.66 0.02 2.99 1.01 -0.60 -4.87 121.20 126.42 1i9r s ILE 21 Ca 0.04 -0.57 0.01 0.00 0.00 0.00 0.00 60.65 60.13 1i9r s ILE 21 Cb -0.13 -3.70 -0.01 0.00 0.01 0.00 0.00 42.46 38.63 1i9r s ILE 21 CO -0.05 -0.43 -0.03 -0.94 0.00 0.00 0.00 174.94 173.48 1i9r s SER 22 N -4.10 0.32 0.33 3.58 1.04 -0.79 -1.57 113.70 112.52 1i9r s SER 22 Ca 0.43 -0.32 0.10 0.00 0.48 0.00 0.00 55.95 56.63 1i9r s SER 22 Cb -0.10 0.04 -0.06 0.00 0.10 0.00 0.00 66.02 66.01 1i9r s SER 22 CO 0.36 -0.16 -0.09 0.00 0.98 0.00 0.00 173.24 174.33 1i9r s ARG 24 N -3.61 0.15 -0.03 0.00 0.52 0.24 -2.43 118.95 113.80 1i9r s ARG 24 Ca 0.32 0.67 -0.18 0.00 -0.52 0.00 0.00 55.73 56.03 1i9r s ARG 24 Cb 0.01 -0.20 -0.05 0.00 0.52 0.00 0.00 34.95 35.23 1i9r s ARG 24 CO 0.17 -0.34 0.49 0.00 0.02 0.00 0.00 175.30 175.63 1i9r s ALA 25 N 2.41 3.57 -1.43 2.13 0.00 0.19 -0.52 121.76 128.10 1i9r s ALA 25 Ca 0.02 -0.12 0.08 0.00 0.00 0.00 0.00 51.96 51.94 1i9r s ALA 25 Cb -0.13 -2.57 0.41 0.00 0.00 0.00 0.00 23.12 20.83 1i9r s ALA 25 CO -0.09 0.25 1.13 -1.13 0.00 0.00 0.00 175.76 175.92 1i9r n SER 26 N 2.57 0.00 -3.45 0.00 3.41 -0.38 -4.64 113.62 111.13 1i9r n SER 26 Ca -0.10 0.17 -0.12 0.00 -0.26 0.00 0.00 58.87 58.56 1i9r n SER 26 Cb 0.52 -0.28 -0.02 0.00 -0.26 0.00 0.00 64.21 64.16 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 -2.57 1.16 0.67 4.33 -2.07 -1.26 -4.93 119.66 114.99 1i9r s GLN 27 Ca 0.08 -0.35 -0.17 0.00 -1.82 0.00 0.00 55.36 53.10 1i9r s GLN 27 Cb 0.05 0.53 -0.01 0.00 -1.09 0.00 0.00 33.01 32.50 1i9r s GLN 27 CO 0.12 -0.49 1.12 0.54 -1.32 0.00 0.00 175.29 175.26 1i9r n ARG 28 N -0.20 0.81 -0.58 9.60 1.74 -1.26 -4.57 116.66 122.21 1i9r n ARG 28 Ca -0.16 0.33 0.00 0.00 -0.77 0.00 0.00 57.85 57.26 1i9r n ARG 28 Cb 0.63 -2.35 0.00 0.00 -1.02 0.00 0.00 32.46 29.72 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 -2.16 0.00 -4.79 1.55 0.24 0.12 -4.93 118.33 108.35 1i9r n VAL 29 Ca 0.15 -0.08 -0.32 0.00 -2.04 0.00 0.00 64.34 62.05 1i9r n VAL 29 Cb 0.48 0.50 -0.17 0.00 -1.47 0.00 0.00 33.84 33.18 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 -0.99 3.02 0.00 -1.34 0.15 -1.25 -0.95 113.70 112.34 1i9r s SER 30 Ca 0.03 -0.57 0.00 0.00 0.70 0.00 0.00 55.95 56.11 1i9r s SER 30 Cb 0.03 -1.39 0.00 0.00 -1.71 0.00 0.00 66.02 62.95 1i9r s SER 30 CO -0.01 0.09 0.00 -1.54 1.20 0.00 0.00 173.24 172.98 1i9r n SER 31 N 3.94 0.00 0.00 5.45 3.41 0.55 -4.53 113.62 122.44 1i9r n SER 31 Ca -0.20 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.51 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 0.00 0.00 4.04 3.41 -1.26 -4.20 113.62 115.61 1i9r n SER 32 Ca 0.00 0.40 0.00 0.00 -0.26 0.00 0.00 58.87 59.01 1i9r n SER 32 Cb 0.00 -0.46 0.00 0.00 -0.26 0.00 0.00 64.21 63.49 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 -1.46 0.00 -4.27 6.66 -1.04 -1.26 -5.12 114.28 107.79 1i9r n THR 33 Ca 0.06 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 61.92 1i9r n THR 33 Cb 0.23 -0.19 -0.10 0.00 -1.82 0.00 0.00 70.33 68.45 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 -1.19 1.34 -0.20 -1.42 1.51 -1.26 -5.12 117.35 111.00 1i9r s TYR 34 Ca 0.00 -0.82 0.00 0.00 -1.01 0.00 0.00 57.07 55.24 1i9r s TYR 34 Cb 0.00 -0.71 0.02 0.00 -0.11 0.00 0.00 41.96 41.16 1i9r s TYR 34 CO 0.00 0.03 -0.15 -1.12 -1.11 0.00 0.00 175.55 173.20 1i9r s SER 35 N -3.20 3.57 -1.45 2.29 0.01 -1.26 -0.33 113.70 113.33 1i9r s SER 35 Ca 0.20 -0.69 -0.09 0.00 1.31 0.00 0.00 55.95 56.68 1i9r s SER 35 Cb 0.04 -1.55 -0.09 0.00 0.21 0.00 0.00 66.02 64.62 1i9r s SER 35 CO 0.03 -0.03 2.99 -1.22 0.41 0.00 0.00 173.24 175.42 1i9r n TYR 36 N 4.64 2.20 -4.99 2.43 4.01 -0.13 -3.57 117.16 121.76 1i9r n TYR 36 Ca -0.19 -2.93 -0.30 0.00 -0.16 0.00 0.00 57.90 54.31 1i9r n TYR 36 Cb 0.49 -2.37 -0.15 0.00 -0.31 0.00 0.00 39.34 37.01 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 1.83 1.92 0.03 -0.72 -1.94 -1.26 -1.38 119.30 117.78 1i9r s MET 37 Ca 0.69 -1.04 -0.03 0.00 -1.71 0.00 0.00 55.69 53.60 1i9r s MET 37 Cb 0.19 -2.02 -0.02 0.00 2.01 0.00 0.00 34.83 34.99 1i9r s MET 37 CO -0.06 0.53 0.03 -1.01 -0.01 0.00 0.00 175.02 174.50 1i9r s HIS 38 N -0.76 0.26 0.05 -0.03 0.09 0.13 0.18 115.29 115.20 1i9r s HIS 38 Ca 0.11 -0.56 0.09 0.00 -0.00 0.00 0.00 55.06 54.71 1i9r s HIS 38 Cb -0.10 -0.19 -0.03 0.00 -0.00 0.00 0.00 32.58 32.26 1i9r s HIS 38 CO 0.01 -0.28 -0.26 -1.58 -0.00 0.00 0.00 174.74 172.63 1i9r s TRP 39 N -2.15 2.33 0.06 1.40 0.52 0.65 0.26 118.94 122.03 1i9r s TRP 39 Ca -0.09 -0.40 0.05 0.00 0.02 0.00 0.00 56.10 55.68 1i9r s TRP 39 Cb -0.04 -1.39 -0.03 0.00 -1.15 0.00 0.00 33.47 30.86 1i9r s TRP 39 CO -0.03 0.15 -0.14 0.71 0.02 0.00 0.00 176.95 177.66 1i9r s TYR 40 N -0.83 1.22 0.12 -1.98 4.12 0.37 -1.07 117.35 119.29 1i9r s TYR 40 Ca 0.12 -0.44 0.08 0.00 0.02 0.00 0.00 57.07 56.85 1i9r s TYR 40 Cb -0.10 -0.69 -0.04 0.00 -1.52 0.00 0.00 41.96 39.61 1i9r s TYR 40 CO 0.02 0.05 -0.13 1.14 0.02 0.00 0.00 175.55 176.66 1i9r s GLN 41 N -1.61 2.00 -0.07 -0.62 -2.07 -0.87 -0.58 119.66 115.84 1i9r s GLN 41 Ca -0.01 -1.10 -0.03 0.00 -1.82 0.00 0.00 55.36 52.39 1i9r s GLN 41 Cb -0.10 -2.22 0.04 0.00 -1.09 0.00 0.00 33.01 29.64 1i9r s GLN 41 CO 0.02 0.49 0.16 -1.14 -1.32 0.00 0.00 175.29 173.50 1i9r s GLN 42 N -2.25 0.09 0.43 9.60 0.74 0.22 -0.67 119.66 127.82 1i9r s GLN 42 Ca 0.21 0.44 -0.02 0.00 0.05 0.00 0.00 55.36 56.03 1i9r s GLN 42 Cb -0.11 -0.19 -0.02 0.00 1.10 0.00 0.00 33.01 33.78 1i9r s GLN 42 CO 0.13 -0.20 0.68 0.15 -0.55 0.00 0.00 175.29 175.50 1i9r s LYS 43 N 1.48 3.38 0.43 1.67 -0.14 -1.26 -2.17 119.74 123.13 1i9r s LYS 43 Ca -0.06 -0.15 -0.26 0.00 -1.36 0.00 0.00 55.97 54.14 1i9r s LYS 43 Cb -0.12 -2.51 -0.09 0.00 -1.68 0.00 0.00 37.83 33.43 1i9r s LYS 43 CO -0.06 -0.13 1.42 -2.14 -0.76 0.00 0.00 175.35 173.68 1i9r s PRO 44 N -4.57 3.83 0.00 -1.68 0.02 -1.26 -1.78 135.00 129.56 1i9r s PRO 44 Ca 0.45 2.41 0.00 0.00 0.02 0.00 0.00 61.00 63.88 1i9r s PRO 44 Cb -0.10 -2.75 0.00 0.00 0.02 0.00 0.00 34.50 31.67 1i9r s PRO 44 CO 0.40 -0.70 0.00 0.41 -0.33 0.00 0.00 177.00 176.79 1i9r n GLY 45 N 0.57 2.36 3.97 0.52 0.00 -1.26 -4.97 105.19 106.39 1i9r n GLY 45 Ca 0.04 0.00 -0.19 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 3.09 0.57 1.61 -0.21 -0.73 -5.11 119.66 118.87 1i9r s GLN 46 Ca 0.00 -1.03 -0.03 0.00 0.02 0.00 0.00 55.36 54.31 1i9r s GLN 46 Cb 0.00 -2.78 0.02 0.00 1.00 0.00 0.00 33.01 31.25 1i9r s GLN 46 CO 0.00 0.08 0.85 -1.25 -2.12 0.00 0.00 175.29 172.85 1i9r s PRO 47 N -4.14 2.72 0.74 2.91 0.04 -1.26 -4.44 135.00 131.56 1i9r s PRO 47 Ca 0.44 -0.34 -0.15 0.00 0.04 0.00 0.00 61.00 60.99 1i9r s PRO 47 Cb -0.09 -2.36 0.03 0.00 0.04 0.00 0.00 34.50 32.11 1i9r s PRO 47 CO 0.30 -0.72 1.05 -2.30 0.04 0.00 0.00 177.00 175.38 1i9r n PRO 48 N -2.49 0.47 -4.47 0.56 -0.02 -1.26 -4.54 135.00 123.25 1i9r n PRO 48 Ca 0.05 0.22 -0.26 0.00 -2.02 0.00 0.00 63.50 61.50 1i9r n PRO 48 Cb 0.59 -2.31 -0.17 0.00 -0.02 0.00 0.00 33.50 31.59 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 -3.55 1.80 0.11 -0.52 2.36 0.15 -4.95 119.74 115.15 1i9r s LYS 49 Ca 0.74 -0.43 -0.31 0.00 -2.55 0.00 0.00 55.97 53.42 1i9r s LYS 49 Cb -0.33 -1.55 -0.08 0.00 -1.05 0.00 0.00 37.83 34.82 1i9r s LYS 49 CO 0.50 -0.03 1.38 -1.17 1.55 0.00 0.00 175.35 177.57 1i9r s LEU 50 N 0.88 4.37 -0.10 5.43 2.96 -1.26 -2.04 118.68 128.92 1i9r s LEU 50 Ca -0.10 2.30 -0.08 0.00 -0.22 0.00 0.00 54.13 56.03 1i9r s LEU 50 Cb -0.15 -3.59 -0.05 0.00 0.50 0.00 0.00 46.19 42.91 1i9r s LEU 50 CO 0.01 -0.65 -0.19 0.18 -1.32 0.00 0.00 176.35 174.39 1i9r n LEU 51 N 3.99 1.30 -4.22 -0.68 4.77 -0.24 -4.76 117.00 117.17 1i9r n LEU 51 Ca 0.11 0.21 -0.26 0.00 -0.03 0.00 0.00 56.01 56.04 1i9r n LEU 51 Cb 0.43 -0.49 -0.15 0.00 -2.33 0.00 0.00 43.42 40.87 1i9r n LEU 51 CO 0.58 -0.10 -0.52 -0.63 -1.33 0.00 0.00 177.39 175.39 1i9r s ILE 52 N -2.38 1.59 0.05 -0.08 1.01 -1.11 0.47 121.20 120.75 1i9r s ILE 52 Ca -0.18 -0.92 0.07 0.00 0.00 0.00 0.00 60.65 59.62 1i9r s ILE 52 Cb 0.05 -1.33 -0.03 0.00 0.01 0.00 0.00 42.46 41.16 1i9r s ILE 52 CO 0.24 0.40 -0.20 -1.59 0.00 0.00 0.00 174.94 173.79 1i9r s LYS 53 N -0.61 1.28 -1.22 2.79 -2.85 0.44 -0.25 119.74 119.32 1i9r s LYS 53 Ca 0.08 -0.94 -0.00 0.00 -1.00 0.00 0.00 55.97 54.11 1i9r s LYS 53 Cb -0.08 -1.40 0.00 0.00 -2.06 0.00 0.00 37.83 34.30 1i9r s LYS 53 CO -0.00 0.35 0.94 0.66 0.10 0.00 0.00 175.35 177.40 1i9r n TYR 54 N 1.76 -2.14 0.00 1.78 4.02 0.76 -1.99 117.16 121.34 1i9r n TYR 54 Ca -0.18 0.92 0.00 0.00 -0.01 0.00 0.00 57.90 58.63 1i9r n TYR 54 Cb 0.54 -4.95 0.00 0.00 -0.02 0.00 0.00 39.34 34.90 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 -4.16 0.00 -1.06 -0.72 0.00 0.47 -4.08 120.51 110.96 1i9r n ALA 55 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.15 1i9r n ALA 55 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.12 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 0.15 0.00 -4.62 0.00 3.41 -1.23 -2.85 113.62 108.49 1i9r n SER 56 Ca 0.00 -1.00 -0.35 0.00 -0.26 0.00 0.00 58.87 57.26 1i9r n SER 56 Cb 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.85 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 5.63 0.29 4.04 0.01 -0.84 -4.55 114.94 119.52 1i9r s ASN 57 Ca 0.00 0.05 -0.29 0.00 -0.71 0.00 0.00 52.86 51.91 1i9r s ASN 57 Cb 0.00 -1.98 -0.10 0.00 0.41 0.00 0.00 41.25 39.58 1i9r s ASN 57 CO 0.00 0.14 1.41 -0.76 -1.51 0.00 0.00 177.10 176.38 1i9r s LEU 58 N 0.58 4.39 0.84 0.60 1.02 -1.26 -0.42 118.68 124.43 1i9r s LEU 58 Ca 0.04 2.73 -0.11 0.00 0.02 0.00 0.00 54.13 56.81 1i9r s LEU 58 Cb -0.13 -3.64 0.09 0.00 0.02 0.00 0.00 46.19 42.54 1i9r s LEU 58 CO 0.01 -0.69 1.09 -0.70 0.02 0.00 0.00 176.35 176.09 1i9r s GLU 59 N -0.99 1.74 0.09 1.70 2.56 0.18 -4.82 118.70 119.16 1i9r s GLU 59 Ca 0.56 0.92 -0.31 0.00 0.00 0.00 0.00 54.97 56.14 1i9r s GLU 59 Cb -0.42 -1.86 -0.08 0.00 2.00 0.00 0.00 34.13 33.78 1i9r s GLU 59 CO 0.49 -1.93 1.46 0.45 -0.56 0.00 0.00 175.26 175.16 1i9r s SER 60 N -3.48 6.76 0.00 -1.70 0.15 -1.26 -2.52 113.70 111.66 1i9r s SER 60 Ca 0.62 2.34 0.00 0.00 0.70 0.00 0.00 55.95 59.61 1i9r s SER 60 Cb -0.17 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.56 1i9r s SER 60 CO 0.56 -0.73 0.00 0.61 1.20 0.00 0.00 173.24 174.88 1i9r n GLY 61 N 3.65 3.39 3.76 9.45 0.00 -1.26 -5.04 105.19 119.13 1i9r n GLY 61 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.96 3.08 0.59 1.61 1.01 -1.05 -4.96 120.40 117.72 1i9r s VAL 62 Ca 0.00 1.02 -0.19 0.00 0.00 0.00 0.00 61.98 62.81 1i9r s VAL 62 Cb 0.00 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 1i9r s VAL 62 CO 0.00 0.21 1.20 -2.84 0.00 0.00 0.00 175.10 173.67 1i9r s PRO 63 N -1.16 3.01 0.30 2.72 0.02 -1.26 -4.89 135.00 133.74 1i9r s PRO 63 Ca 0.50 1.80 0.22 0.00 0.02 0.00 0.00 61.00 63.54 1i9r s PRO 63 Cb -0.37 -1.94 1.10 0.00 0.02 0.00 0.00 34.50 33.32 1i9r s PRO 63 CO 0.45 -1.17 1.66 0.00 -0.33 0.00 0.00 177.00 177.61 1i9r n ALA 64 N -1.57 1.20 -0.23 -1.55 0.00 -1.26 -2.44 120.51 114.65 1i9r n ALA 64 Ca 0.13 0.17 -0.06 0.00 0.00 0.00 0.00 53.44 53.69 1i9r n ALA 64 Cb 0.50 -1.33 0.05 0.00 0.00 0.00 0.00 19.45 18.67 1i9r n ALA 64 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 1i9r h ARG 65 N 0.00 0.86 -6.67 0.00 0.11 -1.92 -3.42 114.38 103.35 1i9r h ARG 65 Ca 0.00 -0.06 -0.52 0.00 0.10 0.00 0.00 59.98 59.50 1i9r h ARG 65 Cb 0.09 -0.19 0.06 0.00 1.11 0.00 0.00 29.97 31.04 1i9r h ARG 65 CO 0.00 0.59 0.95 -0.06 0.10 0.00 0.00 179.97 181.54 1i9r s PHE 66 N -6.10 2.93 0.18 4.08 0.08 -1.02 -2.13 117.98 116.00 1i9r s PHE 66 Ca -0.13 0.51 -0.16 0.00 0.12 0.00 0.00 56.93 57.27 1i9r s PHE 66 Cb 0.14 -4.06 0.02 0.00 -0.57 0.00 0.00 43.02 38.55 1i9r s PHE 66 CO 0.77 -3.90 0.48 -1.54 -0.10 0.00 0.00 175.22 170.92 1i9r s SER 67 N 1.04 -0.22 -0.16 1.36 1.04 -1.01 -4.92 113.70 110.83 1i9r s SER 67 Ca 0.71 -0.52 -0.18 0.00 0.48 0.00 0.00 55.95 56.45 1i9r s SER 67 Cb -0.47 0.55 0.05 0.00 0.10 0.00 0.00 66.02 66.24 1i9r s SER 67 CO 0.35 -1.01 0.49 -0.83 0.98 0.00 0.00 173.24 173.21 1i9r s GLY 68 N -2.88 -0.36 0.34 7.32 0.00 -1.26 0.27 107.32 110.74 1i9r s GLY 68 Ca 0.10 1.29 0.06 0.00 0.00 0.00 0.00 44.72 46.17 1i9r s GLY 68 CO -0.03 1.08 0.31 -1.35 0.00 0.00 0.00 173.10 173.11 1i9r s SER 69 N 0.02 1.64 0.00 1.64 1.04 -0.57 -3.83 113.70 113.64 1i9r s SER 69 Ca -0.02 -1.74 0.00 0.00 0.48 0.00 0.00 55.95 54.67 1i9r s SER 69 Cb -0.03 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.66 1i9r s SER 69 CO 0.02 -1.10 0.00 0.61 0.98 0.00 0.00 173.24 173.75 1i9r n GLY 70 N -0.63 0.72 0.00 7.32 0.00 -1.26 -0.33 105.19 111.01 1i9r n GLY 70 Ca 0.07 -2.15 0.00 0.00 0.00 0.00 0.00 46.02 43.94 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 1.28 0.00 0.00 1.61 3.41 -0.16 -4.95 113.62 114.80 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 -0.21 0.89 0.00 5.00 0.00 -1.26 -2.67 105.19 106.94 1i9r n GLY 72 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 0.00 -4.96 2.61 -2.24 -1.26 0.10 114.28 108.54 1i9r n THR 73 Ca 0.00 -0.48 -0.29 0.00 -2.27 0.00 0.00 64.05 61.01 1i9r n THR 73 Cb 0.00 1.02 -0.17 0.00 -2.10 0.00 0.00 70.33 69.08 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 -0.48 2.51 0.03 3.42 1.01 -1.09 0.52 116.67 122.59 1i9r s ASP 74 Ca 0.00 -0.44 -0.02 0.00 0.71 0.00 0.00 52.55 52.80 1i9r s ASP 74 Cb 0.00 -1.04 -0.02 0.00 1.01 0.00 0.00 42.92 42.87 1i9r s ASP 74 CO 0.00 0.12 0.02 -0.36 0.21 0.00 0.00 175.17 175.16 1i9r s PHE 75 N 0.36 0.27 0.19 4.23 0.40 -1.02 -0.99 117.98 121.42 1i9r s PHE 75 Ca -0.14 -0.59 0.05 0.00 -0.60 0.00 0.00 56.93 55.65 1i9r s PHE 75 Cb -0.16 -0.20 -0.05 0.00 0.51 0.00 0.00 43.02 43.12 1i9r s PHE 75 CO 0.06 -0.28 -0.09 0.95 0.70 0.00 0.00 175.22 176.56 1i9r s THR 76 N -2.21 1.30 -0.03 0.64 -4.23 0.55 0.12 115.64 111.78 1i9r s THR 76 Ca -0.09 -2.09 -0.01 0.00 -1.18 0.00 0.00 61.69 58.32 1i9r s THR 76 Cb -0.04 -2.04 0.03 0.00 1.34 0.00 0.00 72.50 71.79 1i9r s THR 76 CO -0.03 -0.59 0.03 -0.22 -0.54 0.00 0.00 174.62 173.26 1i9r s LEU 77 N -3.25 0.82 -0.06 4.79 1.98 -0.61 -1.51 118.68 120.84 1i9r s LEU 77 Ca 0.21 0.03 -0.03 0.00 -2.89 0.00 0.00 54.13 51.46 1i9r s LEU 77 Cb 0.03 -0.14 0.04 0.00 0.66 0.00 0.00 46.19 46.77 1i9r s LEU 77 CO 0.04 -0.16 0.13 0.28 -1.89 0.00 0.00 176.35 174.76 1i9r s THR 78 N 1.40 -0.06 -0.14 3.68 -1.32 0.14 -1.56 115.64 117.79 1i9r s THR 78 Ca -0.05 0.19 -0.28 0.00 -1.21 0.00 0.00 61.69 60.35 1i9r s THR 78 Cb -0.13 -0.23 -0.01 0.00 -1.51 0.00 0.00 72.50 70.62 1i9r s THR 78 CO -0.03 0.08 0.95 -0.63 -2.21 0.00 0.00 174.62 172.78 1i9r s ILE 79 N 1.22 4.81 0.47 5.08 1.01 -0.54 -2.40 121.20 130.83 1i9r s ILE 79 Ca -0.09 1.90 0.20 0.00 0.00 0.00 0.00 60.65 62.66 1i9r s ILE 79 Cb -0.12 -4.25 0.24 0.00 0.01 0.00 0.00 42.46 38.34 1i9r s ILE 79 CO -0.06 -0.01 2.06 0.77 0.00 0.00 0.00 174.94 177.71 1i9r h SER 80 N 7.21 0.00 -0.77 3.58 4.64 -1.73 -2.99 113.55 123.49 1i9r h SER 80 Ca -0.29 0.00 0.14 0.00 -0.47 0.00 0.00 61.79 61.16 1i9r h SER 80 Cb 1.13 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 63.01 1i9r h SER 80 CO 0.86 0.12 -0.14 -0.94 -0.87 0.00 0.00 176.83 175.87 1i9r s SER 81 N -6.69 -1.08 0.41 4.97 1.04 -1.26 -4.30 113.70 106.78 1i9r s SER 81 Ca -0.04 0.64 -0.24 0.00 0.48 0.00 0.00 55.95 56.79 1i9r s SER 81 Cb 0.15 1.89 -0.11 0.00 0.10 0.00 0.00 66.02 68.05 1i9r s SER 81 CO 0.65 -0.20 0.94 0.52 0.98 0.00 0.00 173.24 176.13 1i9r n VAL 82 N 5.44 2.33 -4.33 5.02 0.31 0.24 -4.67 118.33 122.66 1i9r n VAL 82 Ca -0.02 -0.50 -0.21 0.00 -0.01 0.00 0.00 64.34 63.60 1i9r n VAL 82 Cb 0.52 -1.05 -0.13 0.00 -0.91 0.00 0.00 33.84 32.27 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 -1.92 0.99 0.34 5.55 2.02 -1.26 -0.66 118.70 123.76 1i9r s GLU 83 Ca 0.63 -0.91 0.11 0.00 0.02 0.00 0.00 54.97 54.83 1i9r s GLU 83 Cb -0.58 -1.06 1.04 0.00 0.10 0.00 0.00 34.13 33.64 1i9r s GLU 83 CO 0.57 0.25 1.58 -1.35 0.02 0.00 0.00 175.26 176.34 1i9r h PRO 84 N 4.59 0.03 -0.09 0.39 0.11 -1.98 0.57 132.00 135.62 1i9r h PRO 84 Ca -0.41 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.69 1i9r h PRO 84 Cb 1.18 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1i9r h PRO 84 CO 0.42 0.02 0.03 1.05 -0.21 0.00 0.00 178.00 179.31 1i9r h GLU 85 N 0.03 0.13 -0.34 1.05 4.11 -2.02 -2.99 114.58 114.55 1i9r h GLU 85 Ca 0.72 -0.01 0.04 0.00 0.07 0.00 0.00 59.36 60.18 1i9r h GLU 85 Cb 1.72 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.92 1i9r h GLU 85 CO -0.82 0.12 0.23 -0.44 0.07 0.00 0.00 179.01 178.17 1i9r h ASP 86 N 0.13 0.24 -2.39 3.06 3.32 -0.24 -3.42 116.42 117.11 1i9r h ASP 86 Ca 0.03 -0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.54 1i9r h ASP 86 Cb 0.05 -0.05 0.01 0.00 0.22 0.00 0.00 39.33 39.55 1i9r h ASP 86 CO -0.00 0.16 1.23 -0.36 -1.72 0.00 0.00 179.24 178.55 1i9r s PHE 87 N -5.28 1.45 0.00 4.55 0.40 -1.13 -4.80 117.98 113.18 1i9r s PHE 87 Ca -0.07 -0.13 0.00 0.00 -0.60 0.00 0.00 56.93 56.13 1i9r s PHE 87 Cb 0.18 -4.12 0.00 0.00 0.51 0.00 0.00 43.02 39.59 1i9r s PHE 87 CO 0.72 -4.86 0.00 0.00 0.70 0.00 0.00 175.22 171.77 1i9r n ALA 88 N 8.10 0.00 -3.11 5.36 0.00 -1.23 -4.98 120.51 124.64 1i9r n ALA 88 Ca 0.21 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.38 1i9r n ALA 88 Cb 0.42 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.71 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 -2.44 1.49 -0.07 0.00 2.01 -0.92 0.10 115.64 115.81 1i9r s THR 89 Ca 0.00 -0.72 0.02 0.00 0.31 0.00 0.00 61.69 61.30 1i9r s THR 89 Cb 0.00 -1.30 -0.03 0.00 0.01 0.00 0.00 72.50 71.19 1i9r s THR 89 CO 0.00 0.43 -0.10 -0.31 -0.69 0.00 0.00 174.62 173.95 1i9r s TYR 90 N 0.26 2.84 -0.06 4.92 1.51 0.73 0.69 117.35 128.24 1i9r s TYR 90 Ca -0.10 -0.14 0.05 0.00 -1.01 0.00 0.00 57.07 55.87 1i9r s TYR 90 Cb -0.14 -1.71 -0.02 0.00 -0.11 0.00 0.00 41.96 39.98 1i9r s TYR 90 CO 0.04 0.19 -0.20 0.71 -1.11 0.00 0.00 175.55 175.18 1i9r s TYR 91 N -0.58 2.55 0.05 2.71 2.02 0.26 -1.38 117.35 122.99 1i9r s TYR 91 Ca 0.08 -0.46 0.00 0.00 -0.37 0.00 0.00 57.07 56.32 1i9r s TYR 91 Cb -0.12 -1.62 -0.04 0.00 -0.40 0.00 0.00 41.96 39.79 1i9r s TYR 91 CO 0.02 -0.04 0.18 0.00 -1.57 0.00 0.00 175.55 174.13 1i9r s GLN 93 N -2.39 0.70 0.00 0.00 -0.44 0.14 -0.26 119.66 117.41 1i9r s GLN 93 Ca 0.33 0.97 0.00 0.00 -2.50 0.00 0.00 55.36 54.16 1i9r s GLN 93 Cb -0.13 0.26 0.00 0.00 -1.64 0.00 0.00 33.01 31.50 1i9r s GLN 93 CO 0.25 -0.11 0.00 -2.39 0.50 0.00 0.00 175.29 173.54 1i9r n HIS 94 N 3.33 -3.43 -2.43 1.67 1.44 -1.21 0.17 115.22 114.77 1i9r n HIS 94 Ca -0.16 0.00 -0.02 0.00 -2.01 0.00 0.00 57.72 55.53 1i9r n HIS 94 Cb 0.56 0.00 0.05 0.00 0.12 0.00 0.00 29.99 30.73 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 -2.91 -0.84 0.09 4.39 3.41 -0.48 -4.38 113.62 112.92 1i9r n SER 95 Ca 0.00 -1.63 -0.04 0.00 -0.26 0.00 0.00 58.87 56.94 1i9r n SER 95 Cb 0.00 0.37 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 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 0.48 0.00 -2.59 7.33 2.91 -1.90 -3.48 115.95 118.70 1i9r h TRP 96 Ca -0.29 0.00 0.11 0.00 1.13 0.00 0.00 58.89 59.84 1i9r h TRP 96 Cb 1.16 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 29.79 1i9r h TRP 96 CO -0.13 0.83 0.49 -0.85 -1.03 0.00 0.00 178.44 177.75 1i9r n GLU 97 N -3.53 0.71 -3.40 2.65 0.28 -1.26 -5.14 120.64 110.95 1i9r n GLU 97 Ca -0.00 -1.54 -0.38 0.00 -0.16 0.00 0.00 57.16 55.07 1i9r n GLU 97 Cb 0.80 2.04 -0.06 0.00 1.43 0.00 0.00 31.44 35.65 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 -2.10 5.00 0.12 3.84 1.01 -1.26 -3.27 121.20 124.54 1i9r s ILE 98 Ca 0.20 0.96 -0.13 0.00 0.00 0.00 0.00 60.65 61.68 1i9r s ILE 98 Cb -0.03 -3.78 -0.07 0.00 0.01 0.00 0.00 42.46 38.59 1i9r s ILE 98 CO 0.06 0.51 0.51 -2.16 0.00 0.00 0.00 174.94 173.86 1i9r s PRO 99 N -0.62 3.93 0.64 2.79 0.04 -1.26 -4.98 135.00 135.54 1i9r s PRO 99 Ca 0.26 0.42 -0.17 0.00 0.04 0.00 0.00 61.00 61.55 1i9r s PRO 99 Cb -0.17 -2.97 -0.01 0.00 0.04 0.00 0.00 34.50 31.39 1i9r s PRO 99 CO 0.14 0.51 1.16 -1.25 0.04 0.00 0.00 177.00 177.60 1i9r s PRO 100 N -1.89 2.79 0.01 0.56 0.04 -1.20 -4.80 135.00 130.50 1i9r s PRO 100 Ca 0.36 1.64 -0.00 0.00 0.04 0.00 0.00 61.00 63.03 1i9r s PRO 100 Cb -0.15 -1.93 -0.01 0.00 0.04 0.00 0.00 34.50 32.45 1i9r s PRO 100 CO 0.19 -1.30 -0.01 0.95 0.04 0.00 0.00 177.00 176.86 1i9r s THR 101 N -1.95 0.06 0.23 1.26 -4.23 -1.26 -5.03 115.64 104.72 1i9r s THR 101 Ca 0.73 -0.46 -0.01 0.00 -1.18 0.00 0.00 61.69 60.77 1i9r s THR 101 Cb -0.26 -0.14 -0.04 0.00 1.34 0.00 0.00 72.50 73.40 1i9r s THR 101 CO 0.37 -0.25 0.43 -0.36 -0.54 0.00 0.00 174.62 174.27 1i9r s PHE 102 N -0.74 3.48 1.10 3.99 0.40 -1.26 -3.32 117.98 121.63 1i9r s PHE 102 Ca -0.08 0.37 -0.18 0.00 -0.60 0.00 0.00 56.93 56.44 1i9r s PHE 102 Cb -0.05 -1.88 0.25 0.00 0.51 0.00 0.00 43.02 41.85 1i9r s PHE 102 CO -0.00 0.33 1.19 0.20 0.70 0.00 0.00 175.22 177.64 1i9r s GLY 103 N -3.29 1.66 0.37 4.36 0.00 0.64 -4.56 107.32 106.50 1i9r s GLY 103 Ca 0.39 -1.03 0.17 0.00 0.00 0.00 0.00 44.72 44.26 1i9r s GLY 103 CO 0.30 -0.20 1.76 -1.33 0.00 0.00 0.00 173.10 173.63 1i9r h GLY 104 N -2.18 0.00 0.00 0.20 0.00 -1.90 -3.45 103.07 95.74 1i9r h GLY 104 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 1i9r h GLY 104 CO 0.37 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.52 1i9r n GLY 105 N 0.03 2.49 2.83 4.60 0.00 -1.26 -5.03 105.19 108.85 1i9r n GLY 105 Ca -0.01 -1.87 -0.15 0.00 0.00 0.00 0.00 46.02 43.99 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 -2.75 0.06 -0.10 2.61 2.01 -0.48 -4.70 115.64 112.30 1i9r s THR 106 Ca 0.00 0.08 -0.15 0.00 0.31 0.00 0.00 61.69 61.92 1i9r s THR 106 Cb 0.00 -0.12 -0.05 0.00 0.01 0.00 0.00 72.50 72.34 1i9r s THR 106 CO 0.00 0.07 0.38 -0.75 -0.69 0.00 0.00 174.62 173.63 1i9r s LYS 107 N 0.60 4.15 -1.05 4.92 2.20 0.18 -0.20 119.74 130.55 1i9r s LYS 107 Ca -0.05 0.29 -0.10 0.00 -0.36 0.00 0.00 55.97 55.74 1i9r s LYS 107 Cb -0.08 -3.36 0.26 0.00 -1.51 0.00 0.00 37.83 33.14 1i9r s LYS 107 CO -0.01 0.36 1.03 -1.17 -0.36 0.00 0.00 175.35 175.20 1i9r s LEU 108 N 0.02 6.45 0.72 5.43 2.96 0.28 0.01 118.68 134.54 1i9r s LEU 108 Ca 0.21 -3.38 -0.11 0.00 -0.22 0.00 0.00 54.13 50.63 1i9r s LEU 108 Cb -0.15 -2.21 0.02 0.00 0.50 0.00 0.00 46.19 44.35 1i9r s LEU 108 CO 0.09 -0.36 1.07 -0.70 -1.32 0.00 0.00 176.35 175.13 1i9r s GLU 109 N -0.92 2.75 -0.27 1.98 2.12 0.19 -3.56 118.70 120.99 1i9r s GLU 109 Ca 0.28 0.86 -0.19 0.00 0.36 0.00 0.00 54.97 56.28 1i9r s GLU 109 Cb -0.10 -1.98 -0.02 0.00 0.26 0.00 0.00 34.13 32.29 1i9r s GLU 109 CO -0.08 -1.21 0.57 0.42 -0.54 0.00 0.00 175.26 174.42 1i9r s ILE 110 N -3.08 5.01 0.65 -3.70 1.01 -1.26 -1.31 121.20 118.53 1i9r s ILE 110 Ca 0.59 0.93 -0.18 0.00 0.00 0.00 0.00 60.65 61.99 1i9r s ILE 110 Cb -0.14 -3.90 -0.01 0.00 0.01 0.00 0.00 42.46 38.42 1i9r s ILE 110 CO 0.55 0.01 1.27 -0.75 0.00 0.00 0.00 174.94 176.01 1i9r s LYS 111 N 2.44 2.54 -0.29 2.79 2.20 0.13 -4.78 119.74 124.76 1i9r s LYS 111 Ca 0.23 1.98 -0.25 0.00 -0.36 0.00 0.00 55.97 57.57 1i9r s LYS 111 Cb -0.15 -1.85 0.17 0.00 -1.51 0.00 0.00 37.83 34.49 1i9r s LYS 111 CO 0.10 -1.59 1.34 -0.98 -0.36 0.00 0.00 175.35 173.86 1i9r s ARG 112 N -3.46 0.16 0.62 4.03 1.04 -1.26 -4.80 118.95 115.29 1i9r s ARG 112 Ca 0.80 0.18 -0.18 0.00 -1.04 0.00 0.00 55.73 55.50 1i9r s ARG 112 Cb -0.35 0.08 -0.05 0.00 -2.04 0.00 0.00 34.95 32.59 1i9r s ARG 112 CO 0.40 -0.02 0.80 0.25 -0.04 0.00 0.00 175.30 176.69 1i9r n THR 113 N 1.66 3.13 -0.75 4.99 -2.24 -1.26 -4.90 114.28 114.91 1i9r n THR 113 Ca -0.10 -0.48 -0.33 0.00 -2.27 0.00 0.00 64.05 60.87 1i9r n THR 113 Cb 0.57 -0.98 0.14 0.00 -2.10 0.00 0.00 70.33 67.96 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 -1.89 0.00 -3.53 2.28 0.31 -1.26 -4.88 118.33 109.37 1i9r n VAL 114 Ca 0.13 -0.22 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 1i9r n VAL 114 Cb 0.48 -0.64 -0.03 0.00 -0.91 0.00 0.00 33.84 32.74 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 -2.37 -2.20 0.49 3.52 0.00 0.03 -4.94 121.76 116.29 1i9r s ALA 115 Ca 0.57 2.21 -0.22 0.00 0.00 0.00 0.00 51.96 54.52 1i9r s ALA 115 Cb -0.19 -1.89 -0.07 0.00 0.00 0.00 0.00 23.12 20.97 1i9r s ALA 115 CO 0.67 -1.01 1.17 0.00 0.00 0.00 0.00 175.76 176.59 1i9r s ALA 116 N 2.83 2.89 0.43 0.00 0.00 -1.26 -1.94 121.76 124.71 1i9r s ALA 116 Ca -0.01 0.93 -0.09 0.00 0.00 0.00 0.00 51.96 52.78 1i9r s ALA 116 Cb -0.12 -3.39 -0.06 0.00 0.00 0.00 0.00 23.12 19.56 1i9r s ALA 116 CO -0.19 -0.72 0.78 -1.25 0.00 0.00 0.00 175.76 174.38 1i9r s PRO 117 N -2.86 3.71 -0.36 0.00 0.04 -1.26 -4.61 135.00 129.67 1i9r s PRO 117 Ca 0.66 0.40 -0.08 0.00 0.04 0.00 0.00 61.00 62.03 1i9r s PRO 117 Cb -0.28 -2.38 0.04 0.00 0.04 0.00 0.00 34.50 31.92 1i9r s PRO 117 CO 0.33 -0.10 0.15 -1.54 0.04 0.00 0.00 177.00 175.89 1i9r s SER 118 N -3.44 5.45 0.26 6.66 1.04 -1.01 -4.88 113.70 117.79 1i9r s SER 118 Ca 0.50 -1.18 -0.10 0.00 0.48 0.00 0.00 55.95 55.65 1i9r s SER 118 Cb -0.10 -1.92 -0.07 0.00 0.10 0.00 0.00 66.02 64.03 1i9r s SER 118 CO 0.36 -0.38 0.59 0.68 0.98 0.00 0.00 173.24 175.47 1i9r s VAL 119 N 1.43 4.90 -0.10 5.02 -7.23 -1.25 -0.07 120.40 123.10 1i9r s VAL 119 Ca -0.00 0.49 -0.07 0.00 -1.81 0.00 0.00 61.98 60.59 1i9r s VAL 119 Cb -0.20 -3.64 0.04 0.00 0.56 0.00 0.00 36.38 33.14 1i9r s VAL 119 CO 0.03 -0.15 0.24 -0.36 -0.31 0.00 0.00 175.10 174.55 1i9r s PHE 120 N -1.92 -0.30 -0.17 2.82 0.08 0.51 -4.94 117.98 114.06 1i9r s PHE 120 Ca 0.48 0.72 -0.02 0.00 0.12 0.00 0.00 56.93 58.23 1i9r s PHE 120 Cb -0.11 0.07 -0.01 0.00 -0.57 0.00 0.00 43.02 42.39 1i9r s PHE 120 CO 0.23 -0.19 -0.08 -1.50 -0.10 0.00 0.00 175.22 173.58 1i9r s ILE 121 N 0.78 3.31 -0.21 0.64 2.07 -1.26 0.42 121.20 126.96 1i9r s ILE 121 Ca -0.05 -0.54 -0.05 0.00 -1.41 0.00 0.00 60.65 58.59 1i9r s ILE 121 Cb -0.07 -2.45 -0.02 0.00 0.13 0.00 0.00 42.46 40.05 1i9r s ILE 121 CO -0.05 0.48 0.00 -0.36 -1.91 0.00 0.00 174.94 173.10 1i9r s PHE 122 N 0.84 3.04 0.32 3.50 0.08 0.16 -5.01 117.98 120.91 1i9r s PHE 122 Ca -0.02 -0.49 -0.06 0.00 0.12 0.00 0.00 56.93 56.48 1i9r s PHE 122 Cb -0.15 -2.10 -0.05 0.00 -0.57 0.00 0.00 43.02 40.15 1i9r s PHE 122 CO 0.01 -0.27 0.60 -1.25 -0.10 0.00 0.00 175.22 174.21 1i9r s PRO 123 N 1.09 3.66 -0.30 0.24 0.05 -1.26 -1.85 135.00 136.62 1i9r s PRO 123 Ca 0.02 0.09 -0.28 0.00 0.05 0.00 0.00 61.00 60.89 1i9r s PRO 123 Cb -0.14 -2.59 -0.12 0.00 0.05 0.00 0.00 34.50 31.69 1i9r s PRO 123 CO 0.02 0.16 1.05 -2.30 0.05 0.00 0.00 177.00 175.97 1i9r n PRO 124 N -1.04 0.00 -1.68 0.56 -0.02 -1.26 -4.83 135.00 126.73 1i9r n PRO 124 Ca -0.01 0.00 -0.44 0.00 -2.02 0.00 0.00 63.50 61.03 1i9r n PRO 124 Cb 0.54 -0.91 -0.04 0.00 -0.02 0.00 0.00 33.50 33.08 1i9r n PRO 124 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1i9r n SER 125 N 2.94 3.84 -0.28 2.55 3.41 -1.26 -4.79 113.62 120.03 1i9r n SER 125 Ca 0.22 0.97 0.10 0.00 -0.26 0.00 0.00 58.87 59.91 1i9r n SER 125 Cb -0.03 -1.49 0.26 0.00 -0.26 0.00 0.00 64.21 62.69 1i9r n SER 125 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1i9r h ASP 126 N 8.91 0.13 -0.54 4.04 3.32 -2.00 0.69 116.42 130.97 1i9r h ASP 126 Ca -0.48 0.16 0.05 0.00 0.02 0.00 0.00 57.03 56.79 1i9r h ASP 126 Cb 1.24 0.19 -0.03 0.00 0.22 0.00 0.00 39.33 40.95 1i9r h ASP 126 CO 0.94 -0.05 0.36 -0.08 -1.72 0.00 0.00 179.24 178.69 1i9r h GLU 127 N 0.31 0.53 0.00 3.56 4.81 -2.00 -1.20 114.58 120.60 1i9r h GLU 127 Ca 0.51 -0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 59.60 1i9r h GLU 127 Cb 0.95 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.19 1i9r h GLU 127 CO -0.56 0.35 -0.51 0.37 -0.73 0.00 0.00 179.01 177.94 1i9r h GLN 128 N 0.55 0.00 0.00 1.92 4.15 0.02 -2.94 115.11 118.81 1i9r h GLN 128 Ca 0.23 0.00 -0.07 0.00 0.77 0.00 0.00 58.65 59.58 1i9r h GLN 128 Cb 0.21 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.89 1i9r h GLN 128 CO -0.06 0.51 -0.33 -0.07 -1.93 0.00 0.00 178.83 176.94 1i9r h LEU 129 N 0.00 0.00 -0.54 -2.39 3.38 -0.15 -2.11 115.31 113.49 1i9r h LEU 129 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1i9r h LEU 129 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 1i9r h LEU 129 CO 0.07 0.33 0.00 1.17 0.09 0.00 0.00 178.44 180.09 1i9r n LYS 130 N -3.39 0.59 -0.19 1.13 3.00 -0.97 -1.60 118.16 116.74 1i9r n LYS 130 Ca 0.01 0.00 0.02 0.00 -0.00 0.00 0.00 58.31 58.34 1i9r n LYS 130 Cb 0.53 -1.16 0.03 0.00 0.00 0.00 0.00 35.03 34.42 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 -0.12 0.83 0.00 3.14 7.64 -0.79 -4.99 113.62 119.33 1i9r n SER 131 Ca 0.00 -1.95 0.00 0.00 1.01 0.00 0.00 58.87 57.93 1i9r n SER 131 Cb 0.08 -0.16 0.00 0.00 -1.01 0.00 0.00 64.21 63.12 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 -0.39 1.78 3.49 0.23 0.00 -0.63 -4.97 105.19 104.70 1i9r n GLY 132 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.43 3.43 -0.22 2.61 2.01 -1.25 0.49 115.64 120.29 1i9r s THR 133 Ca 0.00 -0.56 0.01 0.00 0.31 0.00 0.00 61.69 61.45 1i9r s THR 133 Cb 0.00 -2.42 0.06 0.00 0.01 0.00 0.00 72.50 70.15 1i9r s THR 133 CO 0.00 0.56 -0.06 0.00 -0.69 0.00 0.00 174.62 174.43 1i9r s ALA 134 N -0.24 1.92 -0.11 7.40 0.00 -0.78 -3.72 121.76 126.22 1i9r s ALA 134 Ca 0.02 -1.29 0.03 0.00 0.00 0.00 0.00 51.96 50.72 1i9r s ALA 134 Cb -0.13 -1.39 0.01 0.00 0.00 0.00 0.00 23.12 21.61 1i9r s ALA 134 CO 0.03 -1.11 -0.20 -1.54 0.00 0.00 0.00 175.76 172.94 1i9r s SER 135 N 1.42 2.78 -0.22 0.00 1.04 -1.26 0.21 113.70 117.67 1i9r s SER 135 Ca -0.05 -0.51 -0.07 0.00 0.48 0.00 0.00 55.95 55.80 1i9r s SER 135 Cb -0.18 -1.27 -0.03 0.00 0.10 0.00 0.00 66.02 64.63 1i9r s SER 135 CO -0.07 0.08 0.07 0.54 0.98 0.00 0.00 173.24 174.84 1i9r s VAL 136 N 0.70 4.53 -0.18 5.02 0.11 0.13 -4.12 120.40 126.60 1i9r s VAL 136 Ca -0.11 -0.11 -0.09 0.00 -2.93 0.00 0.00 61.98 58.74 1i9r s VAL 136 Cb -0.16 -3.08 -0.05 0.00 -1.53 0.00 0.00 36.38 31.56 1i9r s VAL 136 CO 0.02 0.39 0.13 -0.69 -3.33 0.00 0.00 175.10 171.62 1i9r s VAL 137 N 1.03 5.39 -0.03 2.04 1.01 -0.77 -1.07 120.40 128.01 1i9r s VAL 137 Ca 0.04 0.18 0.04 0.00 0.00 0.00 0.00 61.98 62.24 1i9r s VAL 137 Cb -0.14 -3.43 -0.03 0.00 0.00 0.00 0.00 36.38 32.78 1i9r s VAL 137 CO 0.03 0.49 -0.13 0.00 0.00 0.00 0.00 175.10 175.49 1i9r s LEU 139 N -0.98 0.89 -0.47 0.00 2.96 0.17 -2.18 118.68 119.07 1i9r s LEU 139 Ca 0.13 -0.07 -0.15 0.00 -0.22 0.00 0.00 54.13 53.82 1i9r s LEU 139 Cb -0.11 -0.37 0.07 0.00 0.50 0.00 0.00 46.19 46.28 1i9r s LEU 139 CO 0.03 -0.14 0.40 -0.76 -1.32 0.00 0.00 176.35 174.55 1i9r s LEU 140 N 1.48 5.63 0.18 -0.68 1.02 -0.79 -0.36 118.68 125.16 1i9r s LEU 140 Ca -0.03 -1.33 -0.15 0.00 0.02 0.00 0.00 54.13 52.64 1i9r s LEU 140 Cb -0.13 -2.18 -0.07 0.00 0.02 0.00 0.00 46.19 43.82 1i9r s LEU 140 CO -0.03 -0.65 0.61 0.21 0.02 0.00 0.00 176.35 176.51 1i9r s ASN 141 N 2.60 6.87 -0.31 2.29 3.04 0.90 -2.14 114.94 128.19 1i9r s ASN 141 Ca 0.04 1.17 -0.13 0.00 0.04 0.00 0.00 52.86 53.99 1i9r s ASN 141 Cb -0.24 -2.32 0.02 0.00 -1.54 0.00 0.00 41.25 37.16 1i9r s ASN 141 CO 0.07 0.06 0.33 0.59 -3.04 0.00 0.00 177.10 175.10 1i9r n ASN 142 N 0.66 -2.66 -4.63 -4.21 4.13 -0.60 -2.40 115.26 105.56 1i9r n ASN 142 Ca -0.04 -0.25 -0.29 0.00 1.68 0.00 0.00 54.58 55.69 1i9r n ASN 142 Cb 0.52 -0.81 -0.10 0.00 -1.54 0.00 0.00 39.78 37.84 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 -1.42 2.29 0.00 3.10 -0.71 0.17 -4.63 117.98 116.78 1i9r s PHE 143 Ca 0.12 -0.78 0.00 0.00 -1.04 0.00 0.00 56.93 55.23 1i9r s PHE 143 Cb -0.01 -1.69 0.00 0.00 -1.21 0.00 0.00 43.02 40.11 1i9r s PHE 143 CO 0.45 0.35 0.00 0.98 -1.34 0.00 0.00 175.22 175.66 1i9r n TYR 144 N -1.03 0.00 -0.40 3.49 9.36 -0.82 0.14 117.16 127.90 1i9r n TYR 144 Ca -0.09 0.00 -0.31 0.00 3.32 0.00 0.00 57.90 60.83 1i9r n TYR 144 Cb 0.67 0.00 0.29 0.00 -0.63 0.00 0.00 39.34 39.67 1i9r n TYR 144 CO 0.00 0.00 0.00 -2.14 0.22 0.00 0.00 176.86 174.94 1i9r s PRO 145 N -1.33 -2.96 0.40 2.98 0.02 -1.26 -0.79 135.00 132.05 1i9r s PRO 145 Ca 0.00 0.09 0.28 0.00 0.02 0.00 0.00 61.00 61.39 1i9r s PRO 145 Cb 0.00 -1.38 1.01 0.00 0.02 0.00 0.00 34.50 34.15 1i9r s PRO 145 CO 0.00 -4.89 1.81 -0.09 -0.33 0.00 0.00 177.00 173.51 1i9r h ARG 146 N -3.43 0.00 -6.26 5.54 2.43 -2.00 -3.44 114.38 107.23 1i9r h ARG 146 Ca -0.43 0.00 -0.56 0.00 -0.81 0.00 0.00 59.98 58.19 1i9r h ARG 146 Cb 1.34 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.87 1i9r h ARG 146 CO 0.27 0.00 1.14 -1.21 -1.51 0.00 0.00 179.97 178.67 1i9r s GLU 147 N -3.41 3.91 -0.27 0.20 8.01 -1.26 -4.96 118.70 120.93 1i9r s GLU 147 Ca 0.04 1.94 -0.01 0.00 0.01 0.00 0.00 54.97 56.95 1i9r s GLU 147 Cb 0.09 -4.05 0.15 0.00 -4.31 0.00 0.00 34.13 26.02 1i9r s GLU 147 CO 0.53 -1.16 0.44 0.00 0.01 0.00 0.00 175.26 175.07 1i9r s ALA 148 N 4.93 -1.39 0.21 5.21 0.00 -1.26 -4.66 121.76 124.80 1i9r s ALA 148 Ca 0.75 0.94 -0.30 0.00 0.00 0.00 0.00 51.96 53.35 1i9r s ALA 148 Cb -0.30 -1.89 -0.08 0.00 0.00 0.00 0.00 23.12 20.85 1i9r s ALA 148 CO 0.30 -1.41 0.97 0.21 0.00 0.00 0.00 175.76 175.83 1i9r s LYS 149 N 2.62 4.79 -0.38 0.00 2.20 -0.31 -4.90 119.74 123.76 1i9r s LYS 149 Ca 0.13 1.52 0.02 0.00 -0.36 0.00 0.00 55.97 57.28 1i9r s LYS 149 Cb -0.14 -3.29 0.16 0.00 -1.51 0.00 0.00 37.83 33.04 1i9r s LYS 149 CO -0.20 0.41 0.28 0.08 -0.36 0.00 0.00 175.35 175.56 1i9r s VAL 150 N -0.87 0.23 0.27 4.02 1.01 -1.26 0.34 120.40 124.15 1i9r s VAL 150 Ca 0.43 -2.21 -0.21 0.00 0.00 0.00 0.00 61.98 59.99 1i9r s VAL 150 Cb -0.26 -1.18 -0.09 0.00 0.00 0.00 0.00 36.38 34.85 1i9r s VAL 150 CO 0.32 -1.12 0.80 -1.10 0.00 0.00 0.00 175.10 174.00 1i9r s GLN 151 N 0.52 4.31 -0.00 2.72 -0.21 0.13 -4.83 119.66 122.31 1i9r s GLN 151 Ca 0.26 0.98 0.01 0.00 0.02 0.00 0.00 55.36 56.64 1i9r s GLN 151 Cb -0.08 -2.77 -0.04 0.00 1.00 0.00 0.00 33.01 31.12 1i9r s GLN 151 CO -0.11 0.32 0.02 -1.58 -2.12 0.00 0.00 175.29 171.82 1i9r s TRP 152 N -1.63 3.11 -0.13 0.91 0.52 -1.26 0.72 118.94 121.18 1i9r s TRP 152 Ca 0.47 0.10 -0.04 0.00 0.02 0.00 0.00 56.10 56.66 1i9r s TRP 152 Cb -0.16 -1.68 0.05 0.00 -1.15 0.00 0.00 33.47 30.53 1i9r s TRP 152 CO 0.21 0.48 0.07 0.15 0.02 0.00 0.00 176.95 177.88 1i9r s LYS 153 N -1.61 0.10 -0.25 4.98 1.02 0.22 0.13 119.74 124.33 1i9r s LYS 153 Ca 0.20 0.03 -0.08 0.00 0.02 0.00 0.00 55.97 56.15 1i9r s LYS 153 Cb -0.12 -1.42 -0.03 0.00 -0.52 0.00 0.00 37.83 35.74 1i9r s LYS 153 CO 0.11 -0.55 0.09 0.08 -0.92 0.00 0.00 175.35 174.16 1i9r s VAL 154 N 2.11 4.48 -1.43 3.17 1.01 -0.13 -0.67 120.40 128.94 1i9r s VAL 154 Ca 0.03 -0.11 -0.02 0.00 0.00 0.00 0.00 61.98 61.88 1i9r s VAL 154 Cb -0.15 -3.10 0.01 0.00 0.00 0.00 0.00 36.38 33.14 1i9r s VAL 154 CO -0.07 0.33 0.46 0.47 0.00 0.00 0.00 175.10 176.28 1i9r n ASP 155 N 4.93 -0.63 0.00 3.32 9.92 0.19 0.17 116.55 134.46 1i9r n ASP 155 Ca -0.16 -1.00 0.00 0.00 -0.53 0.00 0.00 54.79 53.10 1i9r n ASP 155 Cb 0.51 -3.05 0.00 0.00 -0.64 0.00 0.00 41.12 37.95 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 -2.96 0.00 -4.56 -2.24 3.02 -1.26 -4.92 115.26 102.34 1i9r n ASN 156 Ca -0.27 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 53.86 1i9r n ASN 156 Cb 0.67 -0.57 -0.03 0.00 -0.61 0.00 0.00 39.78 39.24 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 -1.99 2.76 -0.49 5.41 0.00 0.46 -4.93 121.76 122.98 1i9r s ALA 157 Ca 0.00 -0.98 -0.28 0.00 0.00 0.00 0.00 51.96 50.70 1i9r s ALA 157 Cb 0.00 -4.17 -0.09 0.00 0.00 0.00 0.00 23.12 18.86 1i9r s ALA 157 CO 0.00 -3.11 2.40 -0.11 0.00 0.00 0.00 175.76 174.94 1i9r n LEU 158 N 9.57 2.22 -4.25 0.00 -0.00 -1.26 -0.96 117.00 122.32 1i9r n LEU 158 Ca 0.09 -0.25 -0.34 0.00 -0.00 0.00 0.00 56.01 55.51 1i9r n LEU 158 Cb 0.49 -1.48 0.11 0.00 -0.00 0.00 0.00 43.42 42.54 1i9r n LEU 158 CO 0.71 -1.28 -0.67 0.00 -0.00 0.00 0.00 177.39 176.16 1i9r n GLN 159 N 8.85 -0.55 0.00 1.96 1.13 0.34 -4.86 117.38 124.25 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 29.24 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 0.04 0.00 0.00 1.08 2.88 -1.26 -4.62 113.62 111.73 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 0.42 2.91 0.46 0.00 -1.26 -4.94 105.19 102.78 1i9r n GLY 161 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.31 1.74 -0.06 1.61 0.01 -1.26 -5.09 114.94 110.58 1i9r s ASN 162 Ca 0.00 -0.23 -0.23 0.00 -0.71 0.00 0.00 52.86 51.69 1i9r s ASN 162 Cb 0.00 -0.69 0.05 0.00 0.41 0.00 0.00 41.25 41.02 1i9r s ASN 162 CO 0.00 -0.08 0.52 -0.94 -1.51 0.00 0.00 177.10 175.08 1i9r s SER 163 N 1.35 -0.46 -0.11 -1.22 1.04 -1.26 -3.88 113.70 109.16 1i9r s SER 163 Ca -0.03 0.54 0.01 0.00 0.48 0.00 0.00 55.95 56.95 1i9r s SER 163 Cb -0.14 0.55 0.02 0.00 0.10 0.00 0.00 66.02 66.55 1i9r s SER 163 CO -0.03 -0.48 -0.13 -1.10 0.98 0.00 0.00 173.24 172.48 1i9r s GLN 164 N -0.99 1.98 0.18 4.02 -0.21 -1.21 -4.92 119.66 118.51 1i9r s GLN 164 Ca -0.10 -0.47 -0.06 0.00 0.02 0.00 0.00 55.36 54.76 1i9r s GLN 164 Cb -0.03 -1.77 -0.06 0.00 1.00 0.00 0.00 33.01 32.16 1i9r s GLN 164 CO 0.06 -0.12 0.43 -1.21 -2.12 0.00 0.00 175.29 172.34 1i9r s GLU 165 N 1.17 3.66 -0.08 2.91 2.02 -1.26 -0.10 118.70 127.02 1i9r s GLU 165 Ca -0.04 0.00 -0.07 0.00 0.02 0.00 0.00 54.97 54.89 1i9r s GLU 165 Cb -0.14 -2.78 0.02 0.00 0.10 0.00 0.00 34.13 31.33 1i9r s GLU 165 CO -0.04 0.41 0.20 0.45 0.02 0.00 0.00 175.26 176.30 1i9r s SER 166 N -2.50 -0.21 0.29 -0.19 0.15 -0.92 -4.95 113.70 105.38 1i9r s SER 166 Ca 0.43 0.40 0.04 0.00 0.70 0.00 0.00 55.95 57.52 1i9r s SER 166 Cb -0.12 0.40 -0.06 0.00 -1.71 0.00 0.00 66.02 64.53 1i9r s SER 166 CO 0.24 -0.08 0.03 -0.69 1.20 0.00 0.00 173.24 173.95 1i9r s VAL 167 N 0.23 1.17 0.22 4.45 1.01 -1.26 -0.03 120.40 126.19 1i9r s VAL 167 Ca -0.01 -2.02 0.10 0.00 0.00 0.00 0.00 61.98 60.05 1i9r s VAL 167 Cb -0.02 -2.64 -0.04 0.00 0.00 0.00 0.00 36.38 33.67 1i9r s VAL 167 CO -0.01 -0.11 -0.12 0.42 0.00 0.00 0.00 175.10 175.28 1i9r s THR 168 N -3.32 2.98 0.65 3.92 -4.23 -0.88 -5.00 115.64 109.75 1i9r s THR 168 Ca 0.34 -1.90 -0.15 0.00 -1.18 0.00 0.00 61.69 58.80 1i9r s THR 168 Cb 0.07 -2.51 -0.01 0.00 1.34 0.00 0.00 72.50 71.40 1i9r s THR 168 CO 0.13 -0.22 1.10 -1.61 -0.54 0.00 0.00 174.62 173.48 1i9r s GLU 169 N -3.09 2.91 0.16 3.99 8.01 -1.26 -4.54 118.70 124.88 1i9r s GLU 169 Ca 0.26 1.33 -0.31 0.00 0.01 0.00 0.00 54.97 56.25 1i9r s GLU 169 Cb -0.07 -1.97 -0.17 0.00 -4.31 0.00 0.00 34.13 27.61 1i9r s GLU 169 CO 0.15 -1.16 0.83 1.04 0.01 0.00 0.00 175.26 176.13 1i9r n GLN 170 N -2.38 0.40 -1.80 1.61 6.02 -1.26 -4.78 117.38 115.18 1i9r n GLN 170 Ca 0.10 0.14 -0.41 0.00 -0.01 0.00 0.00 57.00 56.82 1i9r n GLN 170 Cb 0.52 -1.39 0.00 0.00 1.02 0.00 0.00 30.24 30.39 1i9r n GLN 170 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1i9r s ASP 171 N -0.54 6.23 0.11 1.08 2.15 -0.82 -4.75 116.67 120.13 1i9r s ASP 171 Ca 0.71 3.02 0.21 0.00 0.43 0.00 0.00 52.55 56.92 1i9r s ASP 171 Cb -0.96 -2.66 0.86 0.00 -0.30 0.00 0.00 42.92 39.86 1i9r s ASP 171 CO 0.56 -0.95 1.66 -1.54 -0.17 0.00 0.00 175.17 174.73 1i9r n SER 172 N 0.30 0.31 -0.05 -0.34 3.41 -1.26 -0.59 113.62 115.40 1i9r n SER 172 Ca 0.02 0.56 -0.05 0.00 -0.26 0.00 0.00 58.87 59.14 1i9r n SER 172 Cb 0.40 -0.63 -0.02 0.00 -0.26 0.00 0.00 64.21 63.70 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 -1.82 0.30 -0.02 4.33 5.02 -1.26 -4.77 118.16 119.94 1i9r n LYS 173 Ca 0.04 0.12 0.12 0.00 -2.02 0.00 0.00 58.31 56.57 1i9r n LYS 173 Cb 0.25 -1.02 0.12 0.00 -0.02 0.00 0.00 35.03 34.35 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 -3.66 3.05 -3.70 4.39 5.68 -1.25 -4.97 116.55 116.09 1i9r n ASP 174 Ca -0.08 -2.00 -0.22 0.00 -0.50 0.00 0.00 54.79 51.99 1i9r n ASP 174 Cb 0.30 -0.03 0.03 0.00 -1.14 0.00 0.00 41.12 40.28 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 1.36 -1.67 -4.14 -1.12 7.64 0.25 -4.87 113.62 111.07 1i9r n SER 175 Ca 0.15 -0.84 -0.16 0.00 1.01 0.00 0.00 58.87 59.02 1i9r n SER 175 Cb 0.60 -3.98 -0.12 0.00 -1.01 0.00 0.00 64.21 59.70 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 -3.66 0.93 0.77 0.44 -4.23 -1.26 -4.59 115.64 104.04 1i9r s THR 176 Ca 0.06 -1.28 -0.10 0.00 -1.18 0.00 0.00 61.69 59.19 1i9r s THR 176 Cb -0.02 -0.97 0.08 0.00 1.34 0.00 0.00 72.50 72.92 1i9r s THR 176 CO 0.82 -0.31 1.12 -0.31 -0.54 0.00 0.00 174.62 175.40 1i9r s TYR 177 N -1.44 2.89 -0.30 3.99 2.02 0.37 -1.95 117.35 122.94 1i9r s TYR 177 Ca -0.03 0.61 -0.09 0.00 -0.37 0.00 0.00 57.07 57.18 1i9r s TYR 177 Cb -0.09 -3.39 0.14 0.00 -0.40 0.00 0.00 41.96 38.21 1i9r s TYR 177 CO 0.02 -1.65 0.65 -1.12 -1.57 0.00 0.00 175.55 171.88 1i9r s SER 178 N -4.56 -1.16 0.28 2.29 0.01 -1.26 0.46 113.70 109.76 1i9r s SER 178 Ca 0.62 1.49 0.10 0.00 1.31 0.00 0.00 55.95 59.47 1i9r s SER 178 Cb -0.11 2.28 -0.05 0.00 0.21 0.00 0.00 66.02 68.36 1i9r s SER 178 CO 0.47 -0.22 -0.08 -0.22 0.41 0.00 0.00 173.24 173.60 1i9r s LEU 179 N 2.89 2.95 -0.27 2.44 0.20 -0.91 -2.08 118.68 123.89 1i9r s LEU 179 Ca -0.03 -0.81 -0.03 0.00 0.69 0.00 0.00 54.13 53.94 1i9r s LEU 179 Cb -0.12 -1.46 0.09 0.00 -0.43 0.00 0.00 46.19 44.27 1i9r s LEU 179 CO -0.19 0.00 0.10 -0.94 -0.29 0.00 0.00 176.35 175.04 1i9r s SER 180 N -3.61 3.51 -0.23 3.68 1.04 0.96 -1.89 113.70 117.16 1i9r s SER 180 Ca 0.31 -1.28 -0.21 0.00 0.48 0.00 0.00 55.95 55.25 1i9r s SER 180 Cb -0.05 -0.53 -0.02 0.00 0.10 0.00 0.00 66.02 65.51 1i9r s SER 180 CO 0.18 -0.41 0.65 -0.55 0.98 0.00 0.00 173.24 174.09 1i9r s SER 181 N 1.92 6.65 -0.58 7.02 0.15 -0.93 -2.17 113.70 125.76 1i9r s SER 181 Ca 0.07 0.79 -0.01 0.00 0.70 0.00 0.00 55.95 57.51 1i9r s SER 181 Cb -0.17 -2.35 0.15 0.00 -1.71 0.00 0.00 66.02 61.94 1i9r s SER 181 CO -0.27 -0.34 0.38 -0.89 1.20 0.00 0.00 173.24 173.31 1i9r s THR 182 N 2.28 3.38 0.48 6.45 2.01 0.86 -1.09 115.64 130.01 1i9r s THR 182 Ca 0.28 -3.00 -0.23 0.00 0.31 0.00 0.00 61.69 59.04 1i9r s THR 182 Cb -0.16 -3.24 -0.07 0.00 0.01 0.00 0.00 72.50 69.04 1i9r s THR 182 CO 0.09 -0.84 1.33 -0.22 -0.69 0.00 0.00 174.62 174.29 1i9r s LEU 183 N -0.05 4.00 -0.22 4.42 2.96 -0.23 -3.31 118.68 126.25 1i9r s LEU 183 Ca 0.16 2.70 -0.04 0.00 -0.22 0.00 0.00 54.13 56.73 1i9r s LEU 183 Cb -0.22 -4.13 0.09 0.00 0.50 0.00 0.00 46.19 42.43 1i9r s LEU 183 CO -0.03 -1.24 0.17 0.28 -1.32 0.00 0.00 176.35 174.21 1i9r s THR 184 N -1.32 -0.21 0.44 3.68 -1.32 -1.25 0.20 115.64 115.87 1i9r s THR 184 Ca 0.65 -0.29 0.08 0.00 -1.21 0.00 0.00 61.69 60.92 1i9r s THR 184 Cb -0.39 -0.73 0.00 0.00 -1.51 0.00 0.00 72.50 69.88 1i9r s THR 184 CO 0.47 -0.35 0.46 -0.76 -2.21 0.00 0.00 174.62 172.23 1i9r s LEU 185 N 2.23 3.37 0.05 9.08 1.43 0.13 -4.96 118.68 130.00 1i9r s LEU 185 Ca 0.06 -0.72 -0.21 0.00 -1.03 0.00 0.00 54.13 52.23 1i9r s LEU 185 Cb -0.16 -2.09 -0.06 0.00 0.03 0.00 0.00 46.19 43.92 1i9r s LEU 185 CO -0.18 -0.78 0.62 -0.94 0.23 0.00 0.00 176.35 175.31 1i9r s SER 186 N -4.24 7.07 0.29 2.29 1.04 -1.26 -1.87 113.70 117.02 1i9r s SER 186 Ca 0.50 1.27 0.19 0.00 0.48 0.00 0.00 55.95 58.39 1i9r s SER 186 Cb -0.05 -2.39 1.01 0.00 0.10 0.00 0.00 66.02 64.70 1i9r s SER 186 CO 0.29 0.17 1.11 1.17 0.98 0.00 0.00 173.24 176.97 1i9r n LYS 187 N 2.23 -0.03 0.00 4.02 0.00 0.18 0.62 118.16 125.17 1i9r n LYS 187 Ca -0.08 0.93 0.00 0.00 0.00 0.00 0.00 58.31 59.16 1i9r n LYS 187 Cb 0.51 -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 -2.52 -0.19 -0.32 3.14 0.00 -1.26 -1.06 120.51 118.30 1i9r n ALA 188 Ca 0.28 0.00 0.23 0.00 0.00 0.00 0.00 53.44 53.95 1i9r n ALA 188 Cb 1.02 0.00 0.45 0.00 0.00 0.00 0.00 19.45 20.92 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 0.11 0.74 0.00 5.19 -0.19 0.20 116.42 122.47 1i9r h ASP 189 Ca 0.00 0.24 -0.03 0.00 -0.62 0.00 0.00 57.03 56.62 1i9r h ASP 189 Cb 0.00 0.30 0.00 0.00 0.18 0.00 0.00 39.33 39.81 1i9r h ASP 189 CO 0.00 -0.32 -0.38 0.22 -3.12 0.00 0.00 179.24 175.65 1i9r h TYR 190 N 0.10 -0.98 0.00 4.55 3.20 -0.33 -0.89 116.97 122.61 1i9r h TYR 190 Ca 0.72 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.57 1i9r h TYR 190 Cb 1.71 0.33 0.00 0.00 1.54 0.00 0.00 36.73 40.31 1i9r h TYR 190 CO -0.17 -0.60 0.03 0.39 -1.64 0.00 0.00 178.16 176.17 1i9r n GLU 191 N -5.54 0.08 0.11 1.82 1.02 0.51 -1.07 120.64 117.57 1i9r n GLU 191 Ca -0.14 0.57 0.13 0.00 -0.02 0.00 0.00 57.16 57.70 1i9r n GLU 191 Cb 0.42 -1.79 0.39 0.00 -0.02 0.00 0.00 31.44 30.44 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 -1.93 0.27 -4.45 3.49 2.85 -0.06 -4.93 118.16 113.41 1i9r n LYS 192 Ca -0.01 0.22 -0.22 0.00 -1.05 0.00 0.00 58.31 57.25 1i9r n LYS 192 Cb 0.05 -1.81 -0.10 0.00 -0.65 0.00 0.00 35.03 32.51 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 -3.11 2.01 -0.08 5.58 3.76 -0.23 -5.07 115.29 118.14 1i9r s HIS 193 Ca 0.10 -0.69 -0.07 0.00 -0.15 0.00 0.00 55.06 54.26 1i9r s HIS 193 Cb 0.12 -1.16 -0.02 0.00 1.11 0.00 0.00 32.58 32.63 1i9r s HIS 193 CO 0.60 0.30 -0.13 1.17 -0.85 0.00 0.00 174.74 175.83 1i9r n LYS 194 N -0.62 0.26 -4.18 1.40 3.00 -1.26 -4.65 118.16 112.10 1i9r n LYS 194 Ca -0.05 0.28 -0.34 0.00 -0.00 0.00 0.00 58.31 58.20 1i9r n LYS 194 Cb 0.64 -1.15 -0.12 0.00 0.00 0.00 0.00 35.03 34.40 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 -1.80 4.05 -0.11 3.15 -7.23 -1.26 -1.76 120.40 115.43 1i9r s VAL 195 Ca -0.11 -0.29 -0.01 0.00 -1.81 0.00 0.00 61.98 59.76 1i9r s VAL 195 Cb 0.01 -2.81 -0.03 0.00 0.56 0.00 0.00 36.38 34.12 1i9r s VAL 195 CO 0.16 0.45 -0.07 -0.31 -0.31 0.00 0.00 175.10 175.02 1i9r s TYR 196 N 0.70 2.94 -0.15 2.82 2.02 -0.71 0.56 117.35 125.52 1i9r s TYR 196 Ca -0.00 -0.23 -0.07 0.00 -0.37 0.00 0.00 57.07 56.39 1i9r s TYR 196 Cb -0.14 -1.83 0.06 0.00 -0.40 0.00 0.00 41.96 39.65 1i9r s TYR 196 CO 0.02 0.08 0.35 0.00 -1.57 0.00 0.00 175.55 174.43 1i9r s ALA 197 N -0.13 -0.88 -0.22 3.71 0.00 0.16 -2.01 121.76 122.38 1i9r s ALA 197 Ca 0.01 1.31 -0.10 0.00 0.00 0.00 0.00 51.96 53.18 1i9r s ALA 197 Cb -0.13 -0.96 -0.05 0.00 0.00 0.00 0.00 23.12 21.98 1i9r s ALA 197 CO 0.03 -0.41 0.14 0.00 0.00 0.00 0.00 175.76 175.52 1i9r s GLU 199 N 0.65 3.22 -0.06 0.00 2.12 0.22 -1.26 118.70 123.59 1i9r s GLU 199 Ca 0.08 -0.71 0.03 0.00 0.36 0.00 0.00 54.97 54.72 1i9r s GLU 199 Cb -0.12 -2.80 -0.02 0.00 0.26 0.00 0.00 34.13 31.44 1i9r s GLU 199 CO 0.01 -0.17 -0.14 0.54 -0.54 0.00 0.00 175.26 174.96 1i9r s VAL 200 N 1.31 3.11 -0.02 3.70 0.11 -0.57 0.22 120.40 128.26 1i9r s VAL 200 Ca 0.04 -0.70 0.07 0.00 -2.93 0.00 0.00 61.98 58.46 1i9r s VAL 200 Cb -0.14 -2.23 -0.02 0.00 -1.53 0.00 0.00 36.38 32.45 1i9r s VAL 200 CO -0.06 0.58 -0.23 -0.89 -3.33 0.00 0.00 175.10 171.17 1i9r s THR 201 N -0.58 2.30 -0.29 5.04 2.01 0.15 -2.15 115.64 122.13 1i9r s THR 201 Ca 0.08 -1.06 -0.21 0.00 0.31 0.00 0.00 61.69 60.81 1i9r s THR 201 Cb -0.11 -1.84 0.17 0.00 0.01 0.00 0.00 72.50 70.73 1i9r s THR 201 CO 0.01 0.55 1.20 -2.28 -0.69 0.00 0.00 174.62 173.42 1i9r s HIS 202 N -0.67 -0.28 0.15 4.92 5.04 -1.26 -1.16 115.29 122.04 1i9r s HIS 202 Ca 0.11 0.62 -0.01 0.00 -1.54 0.00 0.00 55.06 54.24 1i9r s HIS 202 Cb -0.10 0.33 0.34 0.00 0.04 0.00 0.00 32.58 33.19 1i9r s HIS 202 CO -0.00 -0.13 0.80 0.94 -2.34 0.00 0.00 174.74 174.01 1i9r n GLN 203 N 2.50 -0.04 0.02 2.88 7.27 -1.26 -0.47 117.38 128.28 1i9r n GLN 203 Ca -0.14 0.78 -0.02 0.00 0.07 0.00 0.00 57.00 57.69 1i9r n GLN 203 Cb 0.57 -1.21 -0.01 0.00 2.41 0.00 0.00 30.24 31.99 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 -1.04 -6.49 1.69 0.00 -1.85 -3.42 103.07 91.96 1i9r h GLY 204 Ca 0.29 0.46 -0.78 0.00 0.00 0.00 0.00 47.33 47.30 1i9r h GLY 204 CO -0.50 -0.38 0.81 1.04 0.00 0.00 0.00 176.54 177.51 1i9r n LEU 205 N -2.69 1.98 0.30 3.11 4.32 0.38 -4.76 117.00 119.64 1i9r n LEU 205 Ca -0.01 1.11 0.19 0.00 -0.02 0.00 0.00 56.01 57.28 1i9r n LEU 205 Cb 0.04 -1.06 1.00 0.00 -1.62 0.00 0.00 43.42 41.79 1i9r n LEU 205 CO 0.02 -0.60 1.10 -1.28 -1.22 0.00 0.00 177.39 175.42 1i9r h SER 206 N 6.41 0.00 -4.35 -1.43 0.87 -1.82 -3.44 113.55 109.78 1i9r h SER 206 Ca -0.46 0.00 0.16 0.00 -1.23 0.00 0.00 61.79 60.26 1i9r h SER 206 Cb 1.34 0.00 -0.18 0.00 -0.44 0.00 0.00 62.40 63.11 1i9r h SER 206 CO 0.96 0.00 0.63 -0.44 -0.53 0.00 0.00 176.83 177.45 1i9r s SER 207 N -4.75 -0.27 -0.42 6.23 0.01 -1.26 -5.12 113.70 108.12 1i9r s SER 207 Ca -0.04 0.07 -0.39 0.00 1.31 0.00 0.00 55.95 56.89 1i9r s SER 207 Cb 0.11 0.27 -0.15 0.00 0.21 0.00 0.00 66.02 66.46 1i9r s SER 207 CO 0.33 -0.42 2.17 -2.65 0.41 0.00 0.00 173.24 173.09 1i9r n PRO 208 N -0.00 0.57 -2.93 12.44 -0.02 -1.26 -4.91 135.00 138.90 1i9r n PRO 208 Ca -0.05 0.15 -0.41 0.00 -2.02 0.00 0.00 63.50 61.17 1i9r n PRO 208 Cb 0.60 -2.01 -0.04 0.00 -0.02 0.00 0.00 33.50 32.02 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 6.74 4.91 0.01 -1.45 1.01 -0.91 -4.92 120.40 125.79 1i9r s VAL 209 Ca 1.15 1.57 0.02 0.00 0.00 0.00 0.00 61.98 64.72 1i9r s VAL 209 Cb -1.15 -4.11 -0.04 0.00 0.00 0.00 0.00 36.38 31.08 1i9r s VAL 209 CO 0.57 0.06 0.01 -0.89 0.00 0.00 0.00 175.10 174.84 1i9r s THR 210 N 1.98 4.17 -0.18 3.92 2.01 -1.26 -1.51 115.64 124.77 1i9r s THR 210 Ca 0.37 -0.64 -0.03 0.00 0.31 0.00 0.00 61.69 61.71 1i9r s THR 210 Cb -0.17 -2.88 0.05 0.00 0.01 0.00 0.00 72.50 69.52 1i9r s THR 210 CO 0.13 0.34 0.03 -0.75 -0.69 0.00 0.00 174.62 173.68 1i9r s LYS 211 N -1.67 0.67 0.37 4.92 2.47 -0.38 -5.01 119.74 121.11 1i9r s LYS 211 Ca 0.21 -0.35 0.04 0.00 -1.56 0.00 0.00 55.97 54.30 1i9r s LYS 211 Cb -0.12 -1.96 -0.05 0.00 -1.46 0.00 0.00 37.83 34.24 1i9r s LYS 211 CO 0.12 -0.59 0.06 -1.54 0.16 0.00 0.00 175.35 173.56 1i9r s SER 212 N 1.87 2.79 0.15 1.43 1.04 -1.26 -2.13 113.70 117.59 1i9r s SER 212 Ca -0.00 -1.46 -0.24 0.00 0.48 0.00 0.00 55.95 54.73 1i9r s SER 212 Cb -0.16 0.04 0.07 0.00 0.10 0.00 0.00 66.02 66.07 1i9r s SER 212 CO -0.08 -0.67 0.70 0.72 0.98 0.00 0.00 173.24 174.89 1i9r s PHE 213 N -3.17 -0.41 -0.02 5.02 -0.71 -0.85 -5.01 117.98 112.83 1i9r s PHE 213 Ca 0.31 0.16 0.07 0.00 -1.04 0.00 0.00 56.93 56.44 1i9r s PHE 213 Cb 0.07 0.59 -0.02 0.00 -1.21 0.00 0.00 43.02 42.45 1i9r s PHE 213 CO 0.15 -0.87 -0.24 -0.80 -1.34 0.00 0.00 175.22 172.12 1i9r s ASN 214 N -2.75 2.77 0.00 1.98 -0.87 -1.26 -1.74 114.94 113.07 1i9r s ASN 214 Ca 0.04 -0.43 0.00 0.00 -1.57 0.00 0.00 52.86 50.90 1i9r s ASN 214 Cb -0.02 -0.31 0.00 0.00 -0.02 0.00 0.00 41.25 40.90 1i9r s ASN 214 CO -0.07 0.29 0.27 0.54 -2.57 0.00 0.00 177.10 175.56