#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k2f s VAL 94 N 0.00 4.37 -0.11 0.44 1.01 -1.26 -4.99 120.40 119.85 1k2f s VAL 94 Ca 0.00 -1.65 -0.25 0.00 0.00 0.00 0.00 61.98 60.08 1k2f s VAL 94 Cb 0.00 -5.02 -0.02 0.00 0.00 0.00 0.00 36.38 31.34 1k2f s VAL 94 CO 0.00 -1.82 0.79 -0.76 0.00 0.00 0.00 175.10 173.31 1k2f s LEU 95 N 3.61 4.25 -0.02 3.92 1.43 -1.26 -4.80 118.68 125.80 1k2f s LEU 95 Ca 0.45 1.22 -0.30 0.00 -1.03 0.00 0.00 54.13 54.47 1k2f s LEU 95 Cb -0.00 -3.20 -0.05 0.00 0.03 0.00 0.00 46.19 42.97 1k2f s LEU 95 CO -0.02 -0.27 1.34 -0.36 0.23 0.00 0.00 176.35 177.26 1k2f s PHE 96 N 1.52 2.95 0.34 0.29 0.40 -1.20 -4.82 117.98 117.46 1k2f s PHE 96 Ca 0.39 0.94 -0.26 0.00 -0.60 0.00 0.00 56.93 57.39 1k2f s PHE 96 Cb -0.17 -3.59 -0.09 0.00 0.51 0.00 0.00 43.02 39.67 1k2f s PHE 96 CO 0.16 -2.10 1.03 -1.25 0.70 0.00 0.00 175.22 173.76 1k2f s PRO 97 N 2.35 4.44 -0.04 0.24 0.04 -1.26 -2.68 135.00 138.09 1k2f s PRO 97 Ca 0.61 1.55 -0.27 0.00 0.04 0.00 0.00 61.00 62.93 1k2f s PRO 97 Cb -0.29 -2.83 -0.03 0.00 0.04 0.00 0.00 34.50 31.39 1k2f s PRO 97 CO 0.25 0.10 0.87 0.00 0.04 0.00 0.00 177.00 178.26 1k2f h LYS 99 N 6.82 0.00 -0.02 0.00 2.10 -1.98 0.13 116.57 123.62 1k2f h LYS 99 Ca -0.40 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.25 1k2f h LYS 99 Cb 1.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 1k2f h LYS 99 CO 0.76 0.00 -0.23 0.66 -2.00 0.00 0.00 179.45 178.64 1k2f n TYR 100 N -3.64 0.00 -0.01 0.07 4.02 -1.26 -4.39 117.16 111.95 1k2f n TYR 100 Ca 0.00 0.00 0.23 0.00 -0.01 0.00 0.00 57.90 58.13 1k2f n TYR 100 Cb 0.27 -0.02 0.69 0.00 -0.02 0.00 0.00 39.34 40.26 1k2f n TYR 100 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1k2f h ALA 101 N 4.16 2.39 -0.64 -0.72 0.00 -0.95 0.95 119.26 124.45 1k2f h ALA 101 Ca 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1k2f h ALA 101 Cb 0.75 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 1k2f h ALA 101 CO 0.00 -0.94 0.33 0.66 0.00 0.00 0.00 179.25 179.30 1k2f h SER 102 N 0.00 0.81 -0.26 0.00 4.64 -1.77 -3.03 113.55 113.94 1k2f h SER 102 Ca 0.29 -0.07 -0.08 0.00 -0.47 0.00 0.00 61.79 61.46 1k2f h SER 102 Cb 1.54 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 63.42 1k2f h SER 102 CO -0.00 0.67 -0.13 0.77 -0.87 0.00 0.00 176.83 177.27 1k2f h SER 103 N 0.90 0.56 0.00 4.97 4.64 -1.11 -3.46 113.55 120.05 1k2f h SER 103 Ca 0.23 -0.41 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 1k2f h SER 103 Cb 0.07 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 1k2f h SER 103 CO -0.03 0.85 0.00 0.61 -0.87 0.00 0.00 176.83 177.39 1k2f n GLY 104 N -0.01 0.00 2.90 -0.77 0.00 -1.16 -5.10 105.19 101.05 1k2f n GLY 104 Ca -0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 1k2f n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k2f n GLU 106 N 3.59 0.62 -1.76 0.00 1.02 -1.26 -4.44 120.64 118.40 1k2f n GLU 106 Ca 0.05 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.80 1k2f n GLU 106 Cb 0.36 -1.35 -0.04 0.00 -0.02 0.00 0.00 31.44 30.39 1k2f n GLU 106 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1k2f n ILE 107 N -0.85 2.56 -3.07 -3.67 5.41 -1.26 -4.93 119.36 113.55 1k2f n ILE 107 Ca 0.10 -2.44 -0.41 0.00 1.00 0.00 0.00 62.75 61.01 1k2f n ILE 107 Cb 0.05 -2.34 -0.06 0.00 -0.71 0.00 0.00 39.64 36.57 1k2f n ILE 107 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 1k2f s THR 108 N 6.10 4.92 0.04 1.39 2.01 -1.26 -4.75 115.64 124.08 1k2f s THR 108 Ca 0.58 1.04 -0.01 0.00 0.31 0.00 0.00 61.69 63.60 1k2f s THR 108 Cb 0.09 -4.01 -0.03 0.00 0.01 0.00 0.00 72.50 68.55 1k2f s THR 108 CO 0.07 -0.10 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.13 1k2f s LEU 109 N 2.65 2.31 0.93 4.42 1.43 -1.09 -4.82 118.68 124.52 1k2f s LEU 109 Ca 0.27 -0.79 -0.14 0.00 -1.03 0.00 0.00 54.13 52.44 1k2f s LEU 109 Cb -0.15 0.24 -0.01 0.00 0.03 0.00 0.00 46.19 46.30 1k2f s LEU 109 CO 0.11 -0.50 0.17 -2.65 0.23 0.00 0.00 176.35 173.70 1k2f n PRO 110 N 0.62 -0.18 0.00 1.29 -0.02 -1.26 -3.23 135.00 132.22 1k2f n PRO 110 Ca -0.18 -0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.29 1k2f n PRO 110 Cb 0.59 -1.68 0.00 0.00 -0.02 0.00 0.00 33.50 32.39 1k2f n PRO 110 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 1k2f n HIS 111 N -3.25 0.00 0.00 6.00 -0.00 -1.26 -3.73 115.22 112.98 1k2f n HIS 111 Ca 0.05 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.23 1k2f n HIS 111 Cb 0.54 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.41 1k2f n HIS 111 CO 0.00 0.00 0.00 2.41 0.46 0.00 0.00 176.34 179.21 1k2f n THR 112 N -0.24 0.00 -0.10 3.57 -1.04 -1.26 -0.80 114.28 114.41 1k2f n THR 112 Ca 0.00 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.88 1k2f n THR 112 Cb 0.00 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.47 1k2f n THR 112 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1k2f n GLU 113 N 0.00 0.53 0.29 -2.82 1.02 -1.26 -4.58 120.64 113.82 1k2f n GLU 113 Ca 0.00 0.30 0.12 0.00 -0.02 0.00 0.00 57.16 57.56 1k2f n GLU 113 Cb 0.00 -1.51 0.64 0.00 -0.02 0.00 0.00 31.44 30.55 1k2f n GLU 113 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1k2f h LYS 114 N -1.00 0.00 0.00 3.49 1.79 -1.57 -0.50 116.57 118.78 1k2f h LYS 114 Ca -0.15 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.30 1k2f h LYS 114 Cb 1.03 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.68 1k2f h LYS 114 CO -0.09 0.00 -0.11 0.00 -1.08 0.00 0.00 179.45 178.17 1k2f h ALA 115 N 1.20 1.15 0.00 3.86 0.00 -1.05 -1.16 119.26 123.26 1k2f h ALA 115 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1k2f h ALA 115 Cb 0.75 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1k2f h ALA 115 CO 0.00 0.13 0.00 0.39 0.00 0.00 0.00 179.25 179.77 1k2f n GLU 116 N -3.43 0.18 0.20 0.00 1.02 -0.20 -3.19 120.64 115.22 1k2f n GLU 116 Ca -0.01 0.03 0.06 0.00 -0.02 0.00 0.00 57.16 57.22 1k2f n GLU 116 Cb 0.27 -1.50 0.41 0.00 -0.02 0.00 0.00 31.44 30.60 1k2f n GLU 116 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1k2f h HIS 117 N 0.00 0.00 -0.88 -0.32 -0.00 -1.37 -3.11 115.15 109.47 1k2f h HIS 117 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 60.37 60.41 1k2f h HIS 117 Cb 0.38 0.00 -0.06 0.00 -0.00 0.00 0.00 27.41 27.73 1k2f h HIS 117 CO 0.00 0.34 0.56 0.93 -0.00 0.00 0.00 177.93 179.76 1k2f h GLU 118 N 0.00 1.03 -0.39 5.26 5.08 -1.72 -0.67 114.58 123.18 1k2f h GLU 118 Ca -0.00 -0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.34 1k2f h GLU 118 Cb 0.75 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 1k2f h GLU 118 CO 0.04 0.68 0.26 0.93 -1.00 0.00 0.00 179.01 179.93 1k2f h GLU 119 N 1.06 0.34 -0.34 2.33 5.08 -1.78 -1.58 114.58 119.70 1k2f h GLU 119 Ca 0.36 -0.02 -0.14 0.00 -1.00 0.00 0.00 59.36 58.56 1k2f h GLU 119 Cb 0.06 -0.08 -0.09 0.00 0.50 0.00 0.00 28.75 29.15 1k2f h GLU 119 CO -0.14 0.23 -0.04 1.28 -1.00 0.00 0.00 179.01 179.34 1k2f n LEU 120 N -4.48 4.08 -4.74 1.33 4.77 -0.70 -5.03 117.00 112.24 1k2f n LEU 120 Ca 0.04 -3.58 -0.41 0.00 -0.03 0.00 0.00 56.01 52.03 1k2f n LEU 120 Cb 0.20 -0.61 -0.04 0.00 -2.33 0.00 0.00 43.42 40.64 1k2f n LEU 120 CO 0.35 1.11 0.86 0.00 -1.33 0.00 0.00 177.39 178.38 1k2f n GLU 122 N 2.49 0.07 -0.19 0.00 1.02 -1.26 -3.48 120.64 119.29 1k2f n GLU 122 Ca 0.04 0.20 0.09 0.00 -0.02 0.00 0.00 57.16 57.47 1k2f n GLU 122 Cb 0.45 -1.61 0.16 0.00 -0.02 0.00 0.00 31.44 30.42 1k2f n GLU 122 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1k2f n PHE 123 N -1.73 0.07 -2.51 -0.32 3.01 -1.26 -5.03 117.46 109.69 1k2f n PHE 123 Ca 0.05 -1.08 -0.40 0.00 1.01 0.00 0.00 57.45 57.03 1k2f n PHE 123 Cb 0.27 -0.18 -0.04 0.00 -0.01 0.00 0.00 39.48 39.51 1k2f n PHE 123 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 1k2f s ARG 124 N -2.94 4.59 0.02 -1.08 3.52 -1.23 -4.80 118.95 117.04 1k2f s ARG 124 Ca 0.34 1.73 -0.30 0.00 -0.13 0.00 0.00 55.73 57.36 1k2f s ARG 124 Cb 0.30 -3.10 -0.07 0.00 -1.56 0.00 0.00 34.95 30.52 1k2f s ARG 124 CO 0.02 0.19 1.52 -2.14 -0.81 0.00 0.00 175.30 174.08 1k2f s PRO 125 N -1.57 4.24 0.22 5.12 0.02 -1.26 -4.90 135.00 136.87 1k2f s PRO 125 Ca 0.46 2.12 -0.30 0.00 0.02 0.00 0.00 61.00 63.31 1k2f s PRO 125 Cb -0.30 -3.61 -0.08 0.00 0.02 0.00 0.00 34.50 30.53 1k2f s PRO 125 CO 0.38 -0.66 1.12 0.71 -0.33 0.00 0.00 177.00 178.23 1k2f s TYR 126 N 2.60 3.55 0.71 6.54 1.51 0.20 -4.74 117.35 127.72 1k2f s TYR 126 Ca 0.68 1.60 -0.02 0.00 -1.01 0.00 0.00 57.07 58.32 1k2f s TYR 126 Cb -0.35 -3.31 0.12 0.00 -0.11 0.00 0.00 41.96 38.30 1k2f s TYR 126 CO 0.29 -0.72 0.99 -1.54 -1.11 0.00 0.00 175.55 173.45 1k2f s SER 127 N -0.35 4.42 -0.11 2.29 1.04 -1.26 -0.89 113.70 118.83 1k2f s SER 127 Ca 0.48 -0.24 -0.30 0.00 0.48 0.00 0.00 55.95 56.38 1k2f s SER 127 Cb -0.31 -0.20 -0.03 0.00 0.10 0.00 0.00 66.02 65.58 1k2f s SER 127 CO 0.38 -1.81 1.38 0.00 0.98 0.00 0.00 173.24 174.17 1k2f n PRO 129 N 6.50 0.58 -2.50 0.00 -0.04 -1.26 -4.84 135.00 133.44 1k2f n PRO 129 Ca 0.15 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.25 1k2f n PRO 129 Cb 0.44 -1.21 -0.03 0.00 -0.04 0.00 0.00 33.50 32.66 1k2f n PRO 129 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1k2f s PRO 131 N -2.78 4.03 0.00 0.00 0.04 -1.26 -4.80 135.00 130.22 1k2f s PRO 131 Ca 0.62 2.26 0.00 0.00 0.04 0.00 0.00 61.00 63.92 1k2f s PRO 131 Cb -0.21 -2.84 0.00 0.00 0.04 0.00 0.00 34.50 31.49 1k2f s PRO 131 CO 0.26 -0.48 0.00 0.41 0.04 0.00 0.00 177.00 177.23 1k2f n GLY 132 N 0.65 -1.44 0.00 0.56 0.00 -1.26 -4.79 105.19 98.91 1k2f n GLY 132 Ca 0.03 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 43.97 1k2f n GLY 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k2f n ALA 133 N -0.16 1.43 0.17 4.61 0.00 -1.26 -4.88 120.51 120.42 1k2f n ALA 133 Ca 0.00 -0.45 -0.14 0.00 0.00 0.00 0.00 53.44 52.85 1k2f n ALA 133 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 1k2f n ALA 133 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1k2f h SER 134 N 0.00 -0.31 -2.97 0.00 4.64 -1.95 -3.42 113.55 109.54 1k2f h SER 134 Ca 0.00 0.01 -0.57 0.00 -0.47 0.00 0.00 61.79 60.77 1k2f h SER 134 Cb 0.41 0.08 -0.04 0.00 -0.31 0.00 0.00 62.40 62.54 1k2f h SER 134 CO 0.00 -0.22 0.85 0.00 -0.87 0.00 0.00 176.83 176.59 1k2f n LYS 136 N 6.34 3.11 -1.61 0.00 4.01 -1.26 -4.68 118.16 124.06 1k2f n LYS 136 Ca 0.13 -2.45 -0.37 0.00 -0.51 0.00 0.00 58.31 55.11 1k2f n LYS 136 Cb 0.45 -1.72 0.06 0.00 -0.51 0.00 0.00 35.03 33.32 1k2f n LYS 136 CO 0.00 0.00 0.00 1.87 -1.11 0.00 0.00 177.40 178.16 1k2f n TRP 137 N 1.10 1.04 -3.98 2.13 -0.00 -1.26 -4.93 117.44 111.54 1k2f n TRP 137 Ca 0.22 0.42 -0.09 0.00 -0.00 0.00 0.00 57.50 58.06 1k2f n TRP 137 Cb 0.72 -2.16 -0.10 0.00 -0.00 0.00 0.00 31.31 29.77 1k2f n TRP 137 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 177.69 176.55 1k2f s GLN 138 N -3.00 0.54 0.00 5.87 0.74 -1.26 -2.93 119.66 119.63 1k2f s GLN 138 Ca 0.78 -0.84 0.00 0.00 0.05 0.00 0.00 55.36 55.35 1k2f s GLN 138 Cb -0.40 0.20 0.00 0.00 1.10 0.00 0.00 33.01 33.92 1k2f s GLN 138 CO 0.45 -0.12 0.00 0.41 -0.55 0.00 0.00 175.29 175.48 1k2f n GLY 139 N 0.77 -2.24 3.87 2.59 0.00 -0.07 -4.97 105.19 105.13 1k2f n GLY 139 Ca -0.19 -1.24 -0.30 0.00 0.00 0.00 0.00 46.02 44.29 1k2f n GLY 139 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1k2f s SER 140 N -1.31 6.35 0.34 1.61 1.04 -1.26 0.59 113.70 121.06 1k2f s SER 140 Ca 0.00 1.31 0.10 0.00 0.48 0.00 0.00 55.95 57.84 1k2f s SER 140 Cb 0.00 -2.41 0.88 0.00 0.10 0.00 0.00 66.02 64.59 1k2f s SER 140 CO 0.00 -0.69 1.77 0.25 0.98 0.00 0.00 173.24 175.55 1k2f h LEU 141 N 0.23 0.66 -0.36 2.42 5.85 -1.94 0.12 115.31 122.30 1k2f h LEU 141 Ca -0.46 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.36 1k2f h LEU 141 Cb 1.19 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.21 1k2f h LEU 141 CO 0.62 0.19 0.00 0.47 -0.34 0.00 0.00 178.44 179.38 1k2f n ASP 142 N -4.75 0.40 0.01 1.25 8.00 -1.26 -3.09 116.55 117.11 1k2f n ASP 142 Ca 0.24 0.59 0.11 0.00 0.71 0.00 0.00 54.79 56.44 1k2f n ASP 142 Cb 0.69 -0.68 -0.09 0.00 -0.02 0.00 0.00 41.12 41.01 1k2f n ASP 142 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1k2f n ALA 143 N -1.66 3.46 0.09 2.24 0.00 0.41 -4.63 120.51 120.43 1k2f n ALA 143 Ca 0.03 -0.49 -0.14 0.00 0.00 0.00 0.00 53.44 52.85 1k2f n ALA 143 Cb 0.23 -0.84 -0.07 0.00 0.00 0.00 0.00 19.45 18.78 1k2f n ALA 143 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1k2f h VAL 144 N 0.00 0.20 -0.25 0.00 2.07 -1.48 -2.05 116.25 114.74 1k2f h VAL 144 Ca 0.00 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.56 1k2f h VAL 144 Cb 0.80 0.20 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 1k2f h VAL 144 CO 0.00 0.00 0.03 0.24 0.02 0.00 0.00 177.57 177.86 1k2f h MET 145 N -0.59 0.11 -0.21 1.57 2.86 -1.82 -1.55 114.93 115.30 1k2f h MET 145 Ca 0.04 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1k2f h MET 145 Cb 0.64 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.27 1k2f h MET 145 CO -0.26 0.07 0.13 -1.35 1.06 0.00 0.00 176.91 176.56 1k2f h PRO 146 N 0.11 0.28 -0.28 -0.22 0.11 -1.81 -1.74 132.00 128.45 1k2f h PRO 146 Ca 0.11 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.16 1k2f h PRO 146 Cb 0.13 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.17 1k2f h PRO 146 CO -0.17 0.19 0.01 1.25 -0.21 0.00 0.00 178.00 179.07 1k2f h HIS 147 N 0.29 0.53 -0.69 0.65 -0.00 -0.61 -0.72 115.15 114.60 1k2f h HIS 147 Ca 0.08 -0.09 -0.03 0.00 -0.00 0.00 0.00 60.37 60.33 1k2f h HIS 147 Cb -0.02 -0.14 -0.03 0.00 -0.00 0.00 0.00 27.41 27.22 1k2f h HIS 147 CO 0.00 0.63 0.31 -0.07 -0.00 0.00 0.00 177.93 178.80 1k2f h LEU 148 N 0.28 0.92 -0.99 0.26 3.38 -0.69 0.32 115.31 118.78 1k2f h LEU 148 Ca 0.08 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 57.82 1k2f h LEU 148 Cb 0.42 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1k2f h LEU 148 CO 0.01 0.82 -0.10 0.24 0.09 0.00 0.00 178.44 179.50 1k2f h MET 149 N 0.97 0.61 0.09 1.13 2.86 -1.23 0.12 114.93 119.48 1k2f h MET 149 Ca 0.23 -0.18 -0.18 0.00 -2.06 0.00 0.00 59.70 57.51 1k2f h MET 149 Cb 0.16 -0.06 0.02 0.00 0.06 0.00 0.00 31.60 31.77 1k2f h MET 149 CO -0.03 0.71 -0.77 1.25 1.06 0.00 0.00 176.91 179.13 1k2f h HIS 150 N 0.57 0.60 0.00 -0.22 -0.00 -0.55 -3.40 115.15 112.14 1k2f h HIS 150 Ca 0.10 -0.39 0.00 0.00 -0.00 0.00 0.00 60.37 60.08 1k2f h HIS 150 Cb 0.51 -0.04 0.00 0.00 -0.00 0.00 0.00 27.41 27.88 1k2f h HIS 150 CO 0.02 1.27 -1.74 1.04 -0.00 0.00 0.00 177.93 178.52 1k2f n GLN 151 N -4.13 0.61 -3.72 5.26 1.13 0.11 -4.78 117.38 111.85 1k2f n GLN 151 Ca -0.13 -0.15 -0.28 0.00 -1.94 0.00 0.00 57.00 54.51 1k2f n GLN 151 Cb 0.78 -1.45 -0.11 0.00 0.11 0.00 0.00 30.24 29.57 1k2f n GLN 151 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 1k2f n HIS 152 N -2.07 1.92 0.25 1.08 8.25 0.41 -4.90 115.22 120.17 1k2f n HIS 152 Ca -0.02 -3.99 0.13 0.00 -0.26 0.00 0.00 57.72 53.57 1k2f n HIS 152 Cb 0.48 -0.34 0.60 0.00 1.12 0.00 0.00 29.99 31.84 1k2f n HIS 152 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 1k2f h LYS 153 N 5.41 0.00 -0.12 -0.41 1.79 -1.81 -3.01 116.57 118.41 1k2f h LYS 153 Ca 0.19 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.66 1k2f h LYS 153 Cb 0.80 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.45 1k2f h LYS 153 CO 0.61 0.15 0.00 0.43 -1.08 0.00 0.00 179.45 179.56 1k2f n SER 154 N -3.37 0.12 -4.77 0.86 7.64 -1.26 -4.71 113.62 108.13 1k2f n SER 154 Ca -0.00 -1.05 -0.38 0.00 1.01 0.00 0.00 58.87 58.45 1k2f n SER 154 Cb 0.35 -0.06 -0.06 0.00 -1.01 0.00 0.00 64.21 63.43 1k2f n SER 154 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1k2f s ILE 155 N -1.77 5.11 -0.42 0.44 -1.09 -1.14 -4.65 121.20 117.68 1k2f s ILE 155 Ca 0.00 0.89 -0.16 0.00 -2.23 0.00 0.00 60.65 59.15 1k2f s ILE 155 Cb 0.00 -3.76 0.03 0.00 -1.58 0.00 0.00 42.46 37.15 1k2f s ILE 155 CO 0.00 0.44 0.35 -0.89 -1.23 0.00 0.00 174.94 173.61 1k2f s THR 156 N -0.15 5.22 0.16 2.92 2.01 -1.00 -4.94 115.64 119.86 1k2f s THR 156 Ca 0.24 -0.67 -0.18 0.00 0.31 0.00 0.00 61.69 61.40 1k2f s THR 156 Cb -0.16 -3.99 -0.07 0.00 0.01 0.00 0.00 72.50 68.29 1k2f s THR 156 CO 0.11 -0.38 0.62 -0.89 -0.69 0.00 0.00 174.62 173.39 1k2f s THR 157 N 1.77 4.72 0.03 -0.82 2.01 -1.26 -0.93 115.64 121.16 1k2f s THR 157 Ca 0.06 1.10 -0.07 0.00 0.31 0.00 0.00 61.69 63.09 1k2f s THR 157 Cb -0.20 -3.83 -0.01 0.00 0.01 0.00 0.00 72.50 68.48 1k2f s THR 157 CO 0.10 0.31 0.12 -0.76 -0.69 0.00 0.00 174.62 173.70 1k2f s LEU 158 N -1.75 1.68 -0.09 4.42 1.43 0.62 -4.90 118.68 120.09 1k2f s LEU 158 Ca 0.37 -0.46 -0.02 0.00 -1.03 0.00 0.00 54.13 53.00 1k2f s LEU 158 Cb -0.17 0.69 -0.03 0.00 0.03 0.00 0.00 46.19 46.71 1k2f s LEU 158 CO 0.20 -0.50 -0.01 -1.10 0.23 0.00 0.00 176.35 175.17 1k2f s GLN 159 N -2.45 3.01 0.00 1.70 -1.52 -1.26 -1.54 119.66 117.60 1k2f s GLN 159 Ca -0.06 -0.43 0.00 0.00 -1.95 0.00 0.00 55.36 52.91 1k2f s GLN 159 Cb -0.02 -2.78 0.00 0.00 -0.22 0.00 0.00 33.01 29.99 1k2f s GLN 159 CO -0.04 0.66 0.00 0.41 -0.25 0.00 0.00 175.29 176.07 1k2f n GLY 160 N 2.27 3.11 0.30 3.09 0.00 -0.69 -4.88 105.19 108.40 1k2f n GLY 160 Ca -0.18 -1.98 0.11 0.00 0.00 0.00 0.00 46.02 43.97 1k2f n GLY 160 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1k2f n GLU 161 N -0.72 0.80 -3.54 1.61 0.28 -1.26 -4.43 120.64 113.37 1k2f n GLU 161 Ca 0.00 -0.61 -0.29 0.00 -0.16 0.00 0.00 57.16 56.10 1k2f n GLU 161 Cb 0.00 -1.49 -0.12 0.00 1.43 0.00 0.00 31.44 31.26 1k2f n GLU 161 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1k2f s ASP 162 N -2.62 3.05 0.51 -1.84 -1.08 -1.26 -0.41 116.67 113.02 1k2f s ASP 162 Ca 0.17 -2.42 0.03 0.00 -0.52 0.00 0.00 52.55 49.81 1k2f s ASP 162 Cb 0.18 -0.61 0.00 0.00 -1.46 0.00 0.00 42.92 41.04 1k2f s ASP 162 CO 0.63 -0.28 0.17 0.27 0.52 0.00 0.00 175.17 176.47 1k2f s ILE 163 N 0.73 1.45 -0.18 4.11 -5.25 -0.58 -4.98 121.20 116.49 1k2f s ILE 163 Ca 0.19 -1.78 -0.01 0.00 -0.99 0.00 0.00 60.65 58.06 1k2f s ILE 163 Cb -0.21 -2.24 0.05 0.00 2.95 0.00 0.00 42.46 43.02 1k2f s ILE 163 CO -0.01 0.00 -0.02 -0.69 -1.79 0.00 0.00 174.94 172.43 1k2f s VAL 164 N -2.81 0.94 -0.18 8.37 1.01 -1.26 -1.34 120.40 125.12 1k2f s VAL 164 Ca 0.20 -0.67 -0.16 0.00 0.00 0.00 0.00 61.98 61.35 1k2f s VAL 164 Cb 0.01 -1.25 -0.04 0.00 0.00 0.00 0.00 36.38 35.10 1k2f s VAL 164 CO 0.12 -0.03 0.38 0.12 0.00 0.00 0.00 175.10 175.69 1k2f s PHE 165 N 1.69 3.41 -0.42 5.22 5.36 0.80 -4.89 117.98 129.16 1k2f s PHE 165 Ca -0.01 0.65 -0.12 0.00 -0.96 0.00 0.00 56.93 56.48 1k2f s PHE 165 Cb -0.16 -2.48 0.05 0.00 -0.34 0.00 0.00 43.02 40.08 1k2f s PHE 165 CO -0.07 0.07 0.28 -1.17 -1.46 0.00 0.00 175.22 172.87 1k2f s LEU 166 N 1.02 5.11 -0.50 6.12 2.96 -1.26 0.04 118.68 132.17 1k2f s LEU 166 Ca 0.19 -1.18 -0.20 0.00 -0.22 0.00 0.00 54.13 52.72 1k2f s LEU 166 Cb -0.14 -2.08 0.05 0.00 0.50 0.00 0.00 46.19 44.52 1k2f s LEU 166 CO 0.07 -0.50 0.67 0.00 -1.32 0.00 0.00 176.35 175.28 1k2f s ALA 167 N 1.57 3.35 0.46 5.97 0.00 0.16 -4.92 121.76 128.34 1k2f s ALA 167 Ca 0.03 -1.56 -0.11 0.00 0.00 0.00 0.00 51.96 50.32 1k2f s ALA 167 Cb -0.21 -3.39 -0.06 0.00 0.00 0.00 0.00 23.12 19.46 1k2f s ALA 167 CO 0.06 -2.01 0.84 0.95 0.00 0.00 0.00 175.76 175.59 1k2f s THR 168 N 2.85 4.75 -1.27 0.00 -4.23 -1.26 -0.90 115.64 115.58 1k2f s THR 168 Ca 0.19 0.70 -0.04 0.00 -1.18 0.00 0.00 61.69 61.36 1k2f s THR 168 Cb -0.17 -3.76 -0.01 0.00 1.34 0.00 0.00 72.50 69.90 1k2f s THR 168 CO 0.14 -0.66 0.70 0.47 -0.54 0.00 0.00 174.62 174.74 1k2f n ASP 169 N -1.62 -2.09 0.19 3.99 8.00 -0.82 -4.92 116.55 119.28 1k2f n ASP 169 Ca 0.03 -0.86 0.04 0.00 0.71 0.00 0.00 54.79 54.71 1k2f n ASP 169 Cb 0.54 -3.96 0.39 0.00 -0.02 0.00 0.00 41.12 38.07 1k2f n ASP 169 CO 0.00 0.00 0.00 0.16 -0.39 0.00 0.00 177.20 176.97 1k2f h ILE 170 N -1.81 1.16 0.00 0.53 3.07 -1.66 -3.01 117.51 115.79 1k2f h ILE 170 Ca -0.62 -1.25 0.00 0.00 1.55 0.00 0.00 64.86 64.54 1k2f h ILE 170 Cb 1.36 1.69 0.00 0.00 -0.27 0.00 0.00 36.82 39.60 1k2f h ILE 170 CO 0.55 0.35 -0.12 0.78 -1.05 0.00 0.00 178.15 178.65 1k2f h ASN 171 N 0.00 0.00 -3.41 2.16 2.35 -1.92 -3.47 115.58 111.29 1k2f h ASN 171 Ca -0.00 -0.04 -0.53 0.00 -0.55 0.00 0.00 56.30 55.17 1k2f h ASN 171 Cb 0.66 0.00 0.09 0.00 0.05 0.00 0.00 38.32 39.12 1k2f h ASN 171 CO 0.05 0.02 0.86 0.18 -1.65 0.00 0.00 177.43 176.89 1k2f n LEU 172 N -2.31 4.46 0.00 1.61 4.77 -1.14 -4.87 117.00 119.52 1k2f n LEU 172 Ca 0.05 1.16 0.02 0.00 -0.03 0.00 0.00 56.01 57.21 1k2f n LEU 172 Cb 0.44 -1.60 0.11 0.00 -2.33 0.00 0.00 43.42 40.04 1k2f n LEU 172 CO 0.32 0.16 0.40 -2.65 -1.33 0.00 0.00 177.39 174.29 1k2f n PRO 173 N 1.82 0.10 0.00 3.23 -0.02 -1.26 -2.51 135.00 136.36 1k2f n PRO 173 Ca 0.07 0.09 0.01 0.00 -2.02 0.00 0.00 63.50 61.65 1k2f n PRO 173 Cb 0.37 -1.50 -0.01 0.00 -0.02 0.00 0.00 33.50 32.34 1k2f n PRO 173 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1k2f n GLY 174 N -0.83 0.78 3.74 -1.23 0.00 -1.26 -5.03 105.19 101.35 1k2f n GLY 174 Ca 0.03 -0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 1k2f n GLY 174 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k2f s ALA 175 N -1.08 3.45 0.00 4.61 0.00 -1.04 -4.88 121.76 122.81 1k2f s ALA 175 Ca 0.01 0.96 0.00 0.00 0.00 0.00 0.00 51.96 52.93 1k2f s ALA 175 Cb 0.01 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.70 1k2f s ALA 175 CO 0.05 -0.40 0.00 0.28 0.00 0.00 0.00 175.76 175.70 1k2f n VAL 176 N 2.62 0.00 -3.94 0.00 0.31 -1.26 -4.82 118.33 111.24 1k2f n VAL 176 Ca 0.05 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.27 1k2f n VAL 176 Cb 0.45 0.00 -0.12 0.00 -0.91 0.00 0.00 33.84 33.25 1k2f n VAL 176 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1k2f s ASP 177 N -1.74 0.17 -0.04 4.52 1.01 -1.26 -0.60 116.67 118.73 1k2f s ASP 177 Ca 0.00 -0.27 -0.01 0.00 0.71 0.00 0.00 52.55 52.98 1k2f s ASP 177 Cb 0.00 0.05 0.03 0.00 1.01 0.00 0.00 42.92 44.01 1k2f s ASP 177 CO 0.00 -0.15 0.03 0.26 0.21 0.00 0.00 175.17 175.52 1k2f s TRP 178 N -0.77 0.22 -0.02 4.23 0.51 -0.54 -5.00 118.94 117.58 1k2f s TRP 178 Ca -0.08 0.11 0.05 0.00 -2.12 0.00 0.00 56.10 54.07 1k2f s TRP 178 Cb -0.05 -0.50 -0.01 0.00 -0.81 0.00 0.00 33.47 32.10 1k2f s TRP 178 CO -0.00 -0.19 -0.17 0.08 -0.51 0.00 0.00 176.95 176.15 1k2f s VAL 179 N 1.79 1.39 -0.03 4.03 1.01 -1.26 -1.25 120.40 126.08 1k2f s VAL 179 Ca 0.01 -0.74 -0.02 0.00 0.00 0.00 0.00 61.98 61.23 1k2f s VAL 179 Cb -0.12 -1.16 0.02 0.00 0.00 0.00 0.00 36.38 35.11 1k2f s VAL 179 CO -0.03 0.39 0.06 -0.32 0.00 0.00 0.00 175.10 175.21 1k2f s MET 180 N -0.35 0.04 -0.21 2.72 0.00 -0.67 -2.37 119.30 118.47 1k2f s MET 180 Ca 0.05 0.16 -0.08 0.00 0.00 0.00 0.00 55.69 55.82 1k2f s MET 180 Cb -0.07 -0.08 -0.04 0.00 0.00 0.00 0.00 34.83 34.64 1k2f s MET 180 CO -0.00 -0.08 0.08 -1.64 0.00 0.00 0.00 175.02 173.39 1k2f s MET 181 N 0.49 3.92 -0.21 4.11 -1.94 -0.10 -0.28 119.30 125.28 1k2f s MET 181 Ca -0.04 -0.36 -0.04 0.00 -1.71 0.00 0.00 55.69 53.54 1k2f s MET 181 Cb -0.05 -3.31 -0.02 0.00 2.01 0.00 0.00 34.83 33.46 1k2f s MET 181 CO -0.02 0.12 -0.02 -1.14 -0.01 0.00 0.00 175.02 173.94 1k2f s GLN 182 N 0.82 3.47 -0.22 2.03 0.74 0.75 -0.27 119.66 126.98 1k2f s GLN 182 Ca 0.04 -0.58 -0.06 0.00 0.05 0.00 0.00 55.36 54.81 1k2f s GLN 182 Cb -0.13 -3.04 -0.03 0.00 1.10 0.00 0.00 33.01 30.91 1k2f s GLN 182 CO 0.02 -0.11 0.04 -1.54 -0.55 0.00 0.00 175.29 173.15 1k2f s SER 183 N 1.28 5.07 -0.01 6.67 1.04 -0.59 0.51 113.70 127.67 1k2f s SER 183 Ca 0.04 -0.16 -0.29 0.00 0.48 0.00 0.00 55.95 56.02 1k2f s SER 183 Cb -0.14 -1.89 0.10 0.00 0.10 0.00 0.00 66.02 64.19 1k2f s SER 183 CO -0.01 0.04 0.87 0.00 0.98 0.00 0.00 173.24 175.13 1k2f n PHE 185 N -0.11 -1.11 -0.98 0.00 0.99 -1.26 -0.64 117.46 114.35 1k2f n PHE 185 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.35 1k2f n PHE 185 Cb 0.61 -2.74 0.00 0.00 -1.00 0.00 0.00 39.48 36.35 1k2f n PHE 185 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1k2f n GLY 186 N -0.65 0.60 3.64 1.37 0.00 -1.26 -5.01 105.19 103.88 1k2f n GLY 186 Ca -0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 1k2f n GLY 186 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1k2f s PHE 187 N -2.51 1.87 -0.11 1.61 0.40 0.19 -5.15 117.98 114.28 1k2f s PHE 187 Ca 0.00 -1.07 0.01 0.00 -0.60 0.00 0.00 56.93 55.27 1k2f s PHE 187 Cb 0.00 -1.42 0.02 0.00 0.51 0.00 0.00 43.02 42.12 1k2f s PHE 187 CO 0.00 0.02 -0.14 -1.01 0.70 0.00 0.00 175.22 174.79 1k2f s HIS 188 N -3.02 1.90 -0.21 0.36 3.76 -1.26 -1.78 115.29 115.04 1k2f s HIS 188 Ca 0.16 -0.92 -0.03 0.00 -0.15 0.00 0.00 55.06 54.12 1k2f s HIS 188 Cb 0.03 -1.40 -0.01 0.00 1.11 0.00 0.00 32.58 32.31 1k2f s HIS 188 CO 0.09 -0.50 -0.06 -0.06 -0.85 0.00 0.00 174.74 173.36 1k2f s PHE 189 N 1.14 2.93 -0.33 1.40 0.40 0.18 -1.32 117.98 122.39 1k2f s PHE 189 Ca -0.04 -0.96 -0.21 0.00 -0.60 0.00 0.00 56.93 55.12 1k2f s PHE 189 Cb -0.14 -2.07 -0.00 0.00 0.51 0.00 0.00 43.02 41.32 1k2f s PHE 189 CO -0.04 -0.53 0.66 1.41 0.70 0.00 0.00 175.22 177.42 1k2f s MET 190 N 1.35 3.82 -0.17 0.44 1.75 0.69 -0.18 119.30 127.00 1k2f s MET 190 Ca 0.04 0.24 -0.15 0.00 -1.25 0.00 0.00 55.69 54.58 1k2f s MET 190 Cb -0.14 -3.76 -0.04 0.00 2.84 0.00 0.00 34.83 33.72 1k2f s MET 190 CO -0.03 -0.66 0.35 -1.17 -0.65 0.00 0.00 175.02 172.86 1k2f s LEU 191 N 2.71 4.21 -0.09 4.11 2.96 0.61 -0.99 118.68 132.20 1k2f s LEU 191 Ca 0.26 0.53 0.02 0.00 -0.22 0.00 0.00 54.13 54.73 1k2f s LEU 191 Cb -0.15 -2.45 0.01 0.00 0.50 0.00 0.00 46.19 44.11 1k2f s LEU 191 CO 0.13 0.03 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.35 1k2f s VAL 192 N 0.79 1.39 -0.25 1.68 1.01 -0.43 -1.66 120.40 122.92 1k2f s VAL 192 Ca 0.18 -0.60 -0.00 0.00 0.00 0.00 0.00 61.98 61.56 1k2f s VAL 192 Cb -0.14 -1.26 0.04 0.00 0.00 0.00 0.00 36.38 35.02 1k2f s VAL 192 CO 0.06 0.41 -0.09 -0.22 0.00 0.00 0.00 175.10 175.27 1k2f s LEU 193 N 0.77 3.19 -0.09 3.92 2.96 -0.38 -1.63 118.68 127.42 1k2f s LEU 193 Ca -0.12 -1.02 0.01 0.00 -0.22 0.00 0.00 54.13 52.78 1k2f s LEU 193 Cb -0.16 -1.61 -0.03 0.00 0.50 0.00 0.00 46.19 44.89 1k2f s LEU 193 CO 0.02 -0.14 -0.10 -1.61 -1.32 0.00 0.00 176.35 173.20 1k2f s GLU 194 N 1.26 2.96 -0.31 1.98 2.02 0.14 -1.46 118.70 125.28 1k2f s GLU 194 Ca -0.02 -0.61 -0.08 0.00 0.02 0.00 0.00 54.97 54.28 1k2f s GLU 194 Cb -0.17 -2.59 0.01 0.00 0.10 0.00 0.00 34.13 31.47 1k2f s GLU 194 CO -0.05 0.49 0.11 0.21 0.02 0.00 0.00 175.26 176.04 1k2f s LYS 195 N -0.36 3.09 -0.04 1.61 2.47 0.23 -0.58 119.74 126.15 1k2f s LYS 195 Ca 0.05 -0.87 -0.16 0.00 -1.56 0.00 0.00 55.97 53.42 1k2f s LYS 195 Cb -0.12 -3.46 0.03 0.00 -1.46 0.00 0.00 37.83 32.82 1k2f s LYS 195 CO 0.02 -0.48 0.36 1.14 0.16 0.00 0.00 175.35 176.55 1k2f s GLN 196 N 1.52 0.67 -0.65 4.03 -2.07 -0.33 -4.72 119.66 118.11 1k2f s GLN 196 Ca 0.03 -0.02 -0.06 0.00 -1.82 0.00 0.00 55.36 53.49 1k2f s GLN 196 Cb -0.17 0.30 0.17 0.00 -1.09 0.00 0.00 33.01 32.22 1k2f s GLN 196 CO 0.04 -0.18 0.49 -1.83 -1.32 0.00 0.00 175.29 172.49 1k2f s GLU 197 N -1.05 2.75 0.06 9.60 -1.05 -1.26 -1.42 118.70 126.33 1k2f s GLU 197 Ca -0.11 -2.43 -0.24 0.00 -0.15 0.00 0.00 54.97 52.03 1k2f s GLU 197 Cb -0.04 -3.88 -0.17 0.00 -0.44 0.00 0.00 34.13 29.60 1k2f s GLU 197 CO 0.04 -1.20 1.59 0.87 0.95 0.00 0.00 175.26 177.52 1k2f h LYS 198 N 7.33 -0.07 -6.03 -4.83 1.57 -1.96 -3.41 116.57 109.16 1k2f h LYS 198 Ca -0.01 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.18 1k2f h LYS 198 Cb 0.98 0.02 -0.06 0.00 0.08 0.00 0.00 32.23 33.25 1k2f h LYS 198 CO 0.73 0.08 -0.14 0.71 -0.57 0.00 0.00 179.45 180.26 1k2f s TYR 199 N -5.64 3.71 0.25 -1.35 1.51 -1.26 -5.02 117.35 109.55 1k2f s TYR 199 Ca -0.14 1.06 -0.31 0.00 -1.01 0.00 0.00 57.07 56.68 1k2f s TYR 199 Cb 0.05 -2.41 -0.11 0.00 -0.11 0.00 0.00 41.96 39.37 1k2f s TYR 199 CO 0.65 0.53 1.62 -0.51 -1.11 0.00 0.00 175.55 176.74 1k2f s ASP 200 N -0.74 6.41 0.00 2.29 1.01 -1.26 -2.35 116.67 122.02 1k2f s ASP 200 Ca 0.26 2.88 0.00 0.00 0.71 0.00 0.00 52.55 56.40 1k2f s ASP 200 Cb -0.17 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.14 1k2f s ASP 200 CO 0.15 -0.91 0.00 0.61 0.21 0.00 0.00 175.17 175.22 1k2f n GLY 201 N 2.85 2.82 3.34 0.21 0.00 -1.26 -4.94 105.19 108.21 1k2f n GLY 201 Ca 0.11 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.68 1k2f n GLY 201 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1k2f s HIS 202 N -0.87 3.11 -0.09 1.61 5.04 -0.99 -5.04 115.29 118.07 1k2f s HIS 202 Ca 0.00 -1.12 -0.30 0.00 -1.54 0.00 0.00 55.06 52.11 1k2f s HIS 202 Cb 0.00 -3.92 -0.02 0.00 0.04 0.00 0.00 32.58 28.68 1k2f s HIS 202 CO 0.00 -1.17 1.17 -1.14 -2.34 0.00 0.00 174.74 171.26 1k2f s GLN 203 N 2.19 4.34 0.23 2.88 2.00 -1.26 -4.35 119.66 125.68 1k2f s GLN 203 Ca 0.08 1.61 0.11 0.00 -2.00 0.00 0.00 55.36 55.15 1k2f s GLN 203 Cb -0.27 -3.59 -0.05 0.00 0.80 0.00 0.00 33.01 29.90 1k2f s GLN 203 CO 0.05 -0.48 -0.20 -0.65 -0.50 0.00 0.00 175.29 173.51 1k2f s GLN 204 N 2.43 1.52 -0.02 1.67 -0.21 -0.50 -3.14 119.66 121.40 1k2f s GLN 204 Ca 0.54 -1.62 0.07 0.00 0.02 0.00 0.00 55.36 54.37 1k2f s GLN 204 Cb -0.23 -1.62 -0.02 0.00 1.00 0.00 0.00 33.01 32.14 1k2f s GLN 204 CO 0.19 0.32 -0.23 -0.06 -2.12 0.00 0.00 175.29 173.39 1k2f s PHE 205 N -2.29 2.43 -0.13 0.91 0.40 0.26 -1.19 117.98 118.38 1k2f s PHE 205 Ca 0.24 -0.36 -0.00 0.00 -0.60 0.00 0.00 56.93 56.20 1k2f s PHE 205 Cb -0.05 -1.53 0.03 0.00 0.51 0.00 0.00 43.02 41.98 1k2f s PHE 205 CO 0.11 0.03 -0.09 -0.06 0.70 0.00 0.00 175.22 175.91 1k2f s PHE 206 N -0.66 1.65 -0.11 0.36 0.40 0.26 -2.16 117.98 117.72 1k2f s PHE 206 Ca 0.11 -0.87 0.03 0.00 -0.60 0.00 0.00 56.93 55.59 1k2f s PHE 206 Cb -0.10 -1.32 0.00 0.00 0.51 0.00 0.00 43.02 42.11 1k2f s PHE 206 CO -0.00 -0.56 -0.22 0.00 0.70 0.00 0.00 175.22 175.14 1k2f s ALA 207 N 1.65 2.24 0.05 5.36 0.00 -0.74 0.24 121.76 130.57 1k2f s ALA 207 Ca 0.05 -0.99 -0.16 0.00 0.00 0.00 0.00 51.96 50.85 1k2f s ALA 207 Cb -0.13 -0.90 0.03 0.00 0.00 0.00 0.00 23.12 22.12 1k2f s ALA 207 CO -0.09 0.20 0.38 -1.50 0.00 0.00 0.00 175.76 174.75 1k2f s ILE 208 N 0.47 0.07 -0.06 0.00 2.07 -0.65 -1.37 121.20 121.73 1k2f s ILE 208 Ca -0.15 -0.55 0.06 0.00 -1.41 0.00 0.00 60.65 58.60 1k2f s ILE 208 Cb -0.17 -0.98 -0.01 0.00 0.13 0.00 0.00 42.46 41.42 1k2f s ILE 208 CO 0.06 -0.30 -0.25 -0.69 -1.91 0.00 0.00 174.94 171.85 1k2f s VAL 209 N -2.69 2.03 -0.03 4.00 1.01 -1.26 -1.32 120.40 122.14 1k2f s VAL 209 Ca -0.04 -1.06 0.04 0.00 0.00 0.00 0.00 61.98 60.93 1k2f s VAL 209 Cb -0.00 -1.72 -0.00 0.00 0.00 0.00 0.00 36.38 34.65 1k2f s VAL 209 CO -0.04 0.56 -0.15 0.00 0.00 0.00 0.00 175.10 175.47 1k2f s GLN 210 N -0.17 1.50 0.14 2.72 -2.07 -0.16 -2.49 119.66 119.13 1k2f s GLN 210 Ca -0.03 -0.54 -0.27 0.00 -1.82 0.00 0.00 55.36 52.69 1k2f s GLN 210 Cb -0.14 -1.35 -0.07 0.00 -1.09 0.00 0.00 33.01 30.36 1k2f s GLN 210 CO 0.04 0.25 0.85 -1.17 -1.32 0.00 0.00 175.29 173.93 1k2f s LEU 211 N -0.04 4.55 -1.14 2.60 2.96 0.58 -0.22 118.68 127.97 1k2f s LEU 211 Ca -0.01 1.69 -0.18 0.00 -0.22 0.00 0.00 54.13 55.41 1k2f s LEU 211 Cb -0.10 -3.41 0.10 0.00 0.50 0.00 0.00 46.19 43.29 1k2f s LEU 211 CO 0.01 0.09 1.47 -0.63 -1.32 0.00 0.00 176.35 175.97 1k2f s ILE 212 N -0.61 4.42 -1.96 6.68 -1.09 -0.44 -2.35 121.20 125.85 1k2f s ILE 212 Ca 0.40 -1.76 0.00 0.00 -2.23 0.00 0.00 60.65 57.06 1k2f s ILE 212 Cb -0.23 -5.01 0.00 0.00 -1.58 0.00 0.00 42.46 35.64 1k2f s ILE 212 CO 0.27 -1.80 0.00 0.61 -1.23 0.00 0.00 174.94 172.79 1k2f n GLY 213 N 5.45 -0.72 3.87 6.18 0.00 -1.26 -4.67 105.19 114.04 1k2f n GLY 213 Ca 0.37 -0.84 -0.31 0.00 0.00 0.00 0.00 46.02 45.24 1k2f n GLY 213 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1k2f s THR 214 N -3.00 4.70 0.40 2.61 -4.23 -1.26 -4.09 115.64 110.78 1k2f s THR 214 Ca 0.00 0.85 0.23 0.00 -1.18 0.00 0.00 61.69 61.59 1k2f s THR 214 Cb 0.00 -3.84 0.25 0.00 1.34 0.00 0.00 72.50 70.25 1k2f s THR 214 CO 0.00 -1.00 2.02 0.08 -0.54 0.00 0.00 174.62 175.18 1k2f h ARG 215 N 0.04 0.00 -0.20 3.99 0.11 -1.95 -1.44 114.38 114.93 1k2f h ARG 215 Ca -0.45 0.00 -0.15 0.00 0.10 0.00 0.00 59.98 59.48 1k2f h ARG 215 Cb 1.19 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.26 1k2f h ARG 215 CO 0.62 0.16 -0.49 -0.22 0.10 0.00 0.00 179.97 180.14 1k2f h LYS 216 N 0.00 0.53 -0.12 0.08 3.64 -1.99 -0.10 116.57 118.61 1k2f h LYS 216 Ca -0.00 -0.30 -0.17 0.00 -1.27 0.00 0.00 60.65 58.91 1k2f h LYS 216 Cb 0.38 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 1k2f h LYS 216 CO 0.02 0.90 -0.63 1.96 -2.27 0.00 0.00 179.45 179.43 1k2f h GLN 217 N 0.42 0.45 -0.70 1.90 4.20 -1.78 -3.02 115.11 116.58 1k2f h GLN 217 Ca 0.02 -0.32 -0.03 0.00 0.06 0.00 0.00 58.65 58.38 1k2f h GLN 217 Cb 1.01 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.81 1k2f h GLN 217 CO 0.09 0.94 0.34 0.00 -0.67 0.00 0.00 178.83 179.53 1k2f h ALA 218 N 0.98 0.90 0.00 3.87 0.00 -0.83 -2.16 119.26 122.03 1k2f h ALA 218 Ca -0.01 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1k2f h ALA 218 Cb 1.18 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1k2f h ALA 218 CO 0.11 0.46 0.17 0.93 0.00 0.00 0.00 179.25 180.92 1k2f h GLU 219 N 0.98 0.00 -0.02 0.00 4.39 -0.89 -0.72 114.58 118.32 1k2f h GLU 219 Ca 0.24 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.94 1k2f h GLU 219 Cb 0.11 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 1k2f h GLU 219 CO -0.03 0.00 -0.11 0.09 -1.16 0.00 0.00 179.01 177.80 1k2f n ASN 220 N -2.42 1.67 -4.60 1.42 3.02 -0.81 -4.91 115.26 108.63 1k2f n ASN 220 Ca -0.02 -1.43 -0.29 0.00 -0.03 0.00 0.00 54.58 52.82 1k2f n ASN 220 Cb 0.20 0.07 -0.09 0.00 -0.61 0.00 0.00 39.78 39.35 1k2f n ASN 220 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1k2f s PHE 221 N -2.17 2.13 -0.09 3.10 0.40 -0.28 -0.49 117.98 120.59 1k2f s PHE 221 Ca 0.31 -0.87 -0.16 0.00 -0.60 0.00 0.00 56.93 55.61 1k2f s PHE 221 Cb 0.20 -1.59 0.04 0.00 0.51 0.00 0.00 43.02 42.17 1k2f s PHE 221 CO 0.40 0.24 0.40 0.00 0.70 0.00 0.00 175.22 176.95 1k2f s ALA 222 N -2.90 -1.01 0.15 5.36 0.00 -0.15 -4.45 121.76 118.78 1k2f s ALA 222 Ca 0.23 0.85 0.08 0.00 0.00 0.00 0.00 51.96 53.11 1k2f s ALA 222 Cb 0.06 -0.31 -0.04 0.00 0.00 0.00 0.00 23.12 22.83 1k2f s ALA 222 CO 0.12 -0.24 -0.17 1.52 0.00 0.00 0.00 175.76 176.99 1k2f s TYR 223 N -0.54 1.67 -0.05 0.00 -0.85 -0.28 -0.97 117.35 116.34 1k2f s TYR 223 Ca -0.07 -0.51 0.02 0.00 -0.52 0.00 0.00 57.07 55.99 1k2f s TYR 223 Cb -0.04 -0.84 0.02 0.00 0.38 0.00 0.00 41.96 41.48 1k2f s TYR 223 CO 0.03 0.27 -0.08 0.50 -1.52 0.00 0.00 175.55 174.75 1k2f s ARG 224 N -2.81 1.16 -0.12 -3.49 3.52 0.92 -1.89 118.95 116.24 1k2f s ARG 224 Ca 0.14 -0.24 0.01 0.00 -0.13 0.00 0.00 55.73 55.50 1k2f s ARG 224 Cb -0.05 -1.04 -0.01 0.00 -1.56 0.00 0.00 34.95 32.28 1k2f s ARG 224 CO 0.05 -0.01 -0.15 -0.51 -0.81 0.00 0.00 175.30 173.87 1k2f s LEU 225 N 0.71 2.62 -0.02 -0.88 1.43 0.44 -0.63 118.68 122.35 1k2f s LEU 225 Ca -0.12 -0.35 0.04 0.00 -1.03 0.00 0.00 54.13 52.68 1k2f s LEU 225 Cb -0.14 -1.57 -0.01 0.00 0.03 0.00 0.00 46.19 44.50 1k2f s LEU 225 CO 0.02 0.19 -0.15 -1.61 0.23 0.00 0.00 176.35 175.02 1k2f s GLU 226 N 0.22 1.35 -0.31 1.70 2.02 0.74 -1.37 118.70 123.05 1k2f s GLU 226 Ca -0.10 -0.55 -0.03 0.00 0.02 0.00 0.00 54.97 54.31 1k2f s GLU 226 Cb -0.16 -1.26 0.05 0.00 0.10 0.00 0.00 34.13 32.86 1k2f s GLU 226 CO 0.06 0.30 0.04 -0.51 0.02 0.00 0.00 175.26 175.16 1k2f s LEU 227 N -0.23 4.05 -0.17 1.80 1.43 -0.31 -0.19 118.68 125.05 1k2f s LEU 227 Ca 0.03 -1.23 -0.07 0.00 -1.03 0.00 0.00 54.13 51.83 1k2f s LEU 227 Cb -0.07 -1.77 -0.04 0.00 0.03 0.00 0.00 46.19 44.34 1k2f s LEU 227 CO 0.00 -0.28 0.05 0.20 0.23 0.00 0.00 176.35 176.55 1k2f s ASN 228 N 1.31 5.57 0.00 2.29 0.01 -1.26 -1.85 114.94 121.01 1k2f s ASN 228 Ca -0.04 0.08 0.00 0.00 -0.71 0.00 0.00 52.86 52.19 1k2f s ASN 228 Cb -0.20 -1.93 0.00 0.00 0.41 0.00 0.00 41.25 39.54 1k2f s ASN 228 CO 0.00 0.19 0.00 0.61 -1.51 0.00 0.00 177.10 176.40 1k2f n GLY 229 N 3.40 4.06 3.58 0.66 0.00 -0.37 -4.96 105.19 111.56 1k2f n GLY 229 Ca -0.17 -1.76 -0.43 0.00 0.00 0.00 0.00 46.02 43.67 1k2f n GLY 229 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1k2f s HIS 230 N -1.82 2.71 -1.27 1.61 3.76 -1.26 -3.75 115.29 115.27 1k2f s HIS 230 Ca 0.00 0.46 -0.04 0.00 -0.15 0.00 0.00 55.06 55.33 1k2f s HIS 230 Cb 0.00 -4.41 0.00 0.00 1.11 0.00 0.00 32.58 29.28 1k2f s HIS 230 CO 0.00 -1.44 0.49 0.54 -0.85 0.00 0.00 174.74 173.48 1k2f n ARG 231 N 8.09 -3.95 -3.61 1.40 1.74 -1.26 -4.99 116.66 114.07 1k2f n ARG 231 Ca 0.09 0.74 -0.10 0.00 -0.77 0.00 0.00 57.85 57.81 1k2f n ARG 231 Cb 0.49 -5.24 -0.06 0.00 -1.02 0.00 0.00 32.46 26.62 1k2f n ARG 231 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 1k2f s ARG 232 N -5.47 0.53 -0.12 5.56 1.70 -1.25 -5.18 118.95 114.73 1k2f s ARG 232 Ca 0.24 0.39 -0.08 0.00 -0.47 0.00 0.00 55.73 55.82 1k2f s ARG 232 Cb -0.11 0.25 0.04 0.00 -0.57 0.00 0.00 34.95 34.57 1k2f s ARG 232 CO 0.30 -0.11 0.30 0.50 -1.08 0.00 0.00 175.30 175.21 1k2f s ARG 233 N -0.33 0.29 -0.23 3.89 3.52 -1.26 -1.24 118.95 123.59 1k2f s ARG 233 Ca 0.01 0.56 -0.01 0.00 -0.13 0.00 0.00 55.73 56.16 1k2f s ARG 233 Cb -0.03 -0.01 0.02 0.00 -1.56 0.00 0.00 34.95 33.37 1k2f s ARG 233 CO -0.03 -0.13 -0.09 -1.17 -0.81 0.00 0.00 175.30 173.07 1k2f s LEU 234 N 0.96 2.91 0.03 -0.88 2.96 -0.77 -4.98 118.68 118.91 1k2f s LEU 234 Ca -0.07 -0.76 0.07 0.00 -0.22 0.00 0.00 54.13 53.16 1k2f s LEU 234 Cb -0.07 -1.63 -0.02 0.00 0.50 0.00 0.00 46.19 44.96 1k2f s LEU 234 CO -0.07 -0.08 -0.21 -0.89 -1.32 0.00 0.00 176.35 173.78 1k2f s THR 235 N 1.33 1.65 -0.06 3.68 2.01 -1.26 -1.16 115.64 121.84 1k2f s THR 235 Ca 0.02 -1.13 0.01 0.00 0.31 0.00 0.00 61.69 60.90 1k2f s THR 235 Cb -0.16 -1.42 0.02 0.00 0.01 0.00 0.00 72.50 70.95 1k2f s THR 235 CO -0.06 0.26 -0.07 0.86 -0.69 0.00 0.00 174.62 174.91 1k2f s TRP 236 N -0.73 1.07 -0.06 4.92 -0.11 -0.47 -4.98 118.94 118.57 1k2f s TRP 236 Ca 0.07 -0.38 0.03 0.00 1.22 0.00 0.00 56.10 57.04 1k2f s TRP 236 Cb -0.09 -0.88 0.01 0.00 -1.50 0.00 0.00 33.47 31.02 1k2f s TRP 236 CO 0.01 -0.27 -0.13 -1.21 -4.62 0.00 0.00 176.95 170.74 1k2f s GLU 237 N 0.99 1.72 0.26 5.86 2.02 -1.26 -0.42 118.70 127.87 1k2f s GLU 237 Ca -0.09 -0.45 -0.20 0.00 0.02 0.00 0.00 54.97 54.25 1k2f s GLU 237 Cb -0.14 -1.43 0.06 0.00 0.10 0.00 0.00 34.13 32.72 1k2f s GLU 237 CO 0.00 0.06 0.93 0.00 0.02 0.00 0.00 175.26 176.27 1k2f s ALA 238 N 0.56 -1.28 -0.05 5.21 0.00 -0.79 -5.01 121.76 120.39 1k2f s ALA 238 Ca -0.13 -0.43 -0.23 0.00 0.00 0.00 0.00 51.96 51.16 1k2f s ALA 238 Cb -0.15 0.72 -0.04 0.00 0.00 0.00 0.00 23.12 23.65 1k2f s ALA 238 CO 0.04 -1.03 0.70 0.99 0.00 0.00 0.00 175.76 176.45 1k2f s THR 239 N -2.43 5.00 0.46 0.00 2.01 -1.26 -1.12 115.64 118.30 1k2f s THR 239 Ca 0.18 1.45 -0.24 0.00 0.31 0.00 0.00 61.69 63.39 1k2f s THR 239 Cb -0.04 -4.04 -0.07 0.00 0.01 0.00 0.00 72.50 68.36 1k2f s THR 239 CO 0.07 0.27 1.30 -2.84 -0.69 0.00 0.00 174.62 172.74 1k2f s PRO 240 N 0.64 3.69 0.47 4.92 0.02 -1.26 -4.94 135.00 138.54 1k2f s PRO 240 Ca 0.37 2.13 -0.11 0.00 0.02 0.00 0.00 61.00 63.41 1k2f s PRO 240 Cb -0.18 -2.56 -0.06 0.00 0.02 0.00 0.00 34.50 31.72 1k2f s PRO 240 CO 0.19 -0.71 0.85 1.03 -0.33 0.00 0.00 177.00 178.03 1k2f s ARG 241 N -2.52 3.77 0.09 5.54 1.81 -1.04 -4.71 118.95 121.90 1k2f s ARG 241 Ca 0.62 0.59 -0.17 0.00 -1.72 0.00 0.00 55.73 55.05 1k2f s ARG 241 Cb -0.37 -2.29 -0.07 0.00 -0.45 0.00 0.00 34.95 31.77 1k2f s ARG 241 CO 0.47 -0.17 0.55 0.45 -0.68 0.00 0.00 175.30 175.91 1k2f s SER 242 N -3.36 6.97 0.63 0.23 0.15 -1.26 -0.30 113.70 116.75 1k2f s SER 242 Ca 0.53 1.18 0.33 0.00 0.70 0.00 0.00 55.95 58.69 1k2f s SER 242 Cb -0.10 -2.33 1.82 0.00 -1.71 0.00 0.00 66.02 63.70 1k2f s SER 242 CO 0.35 0.23 2.11 0.16 1.20 0.00 0.00 173.24 177.30 1k2f h ILE 243 N 3.35 0.23 -0.69 6.45 3.07 -1.61 -0.57 117.51 127.75 1k2f h ILE 243 Ca -0.50 0.00 -0.06 0.00 1.55 0.00 0.00 64.86 65.85 1k2f h ILE 243 Cb 1.21 0.82 -0.03 0.00 -0.27 0.00 0.00 36.82 38.55 1k2f h ILE 243 CO 0.64 0.00 0.18 0.45 -1.05 0.00 0.00 178.15 178.37 1k2f h HIS 244 N 0.00 1.12 0.08 0.16 3.86 -1.88 -3.11 115.15 115.38 1k2f h HIS 244 Ca 0.05 -0.12 -0.00 0.00 -1.16 0.00 0.00 60.37 59.13 1k2f h HIS 244 Cb 0.45 -0.32 0.00 0.00 1.06 0.00 0.00 27.41 28.60 1k2f h HIS 244 CO 0.00 0.91 -0.04 0.93 0.86 0.00 0.00 177.93 180.58 1k2f h GLU 245 N 1.03 -0.11 0.00 2.45 5.08 -1.50 -3.50 114.58 118.03 1k2f h GLU 245 Ca 0.22 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1k2f h GLU 245 Cb 0.34 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1k2f h GLU 245 CO -0.00 0.36 0.00 0.41 -1.00 0.00 0.00 179.01 178.78 1k2f n GLY 246 N 0.30 -0.59 0.01 -3.84 0.00 -1.10 -4.86 105.19 95.11 1k2f n GLY 246 Ca -0.08 -2.19 -0.02 0.00 0.00 0.00 0.00 46.02 43.73 1k2f n GLY 246 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1k2f n ILE 247 N 0.00 0.17 -0.33 -0.61 5.41 -1.26 -4.79 119.36 117.95 1k2f n ILE 247 Ca 0.00 -0.08 0.22 0.00 1.00 0.00 0.00 62.75 63.89 1k2f n ILE 247 Cb 0.00 -0.76 0.41 0.00 -0.71 0.00 0.00 39.64 38.58 1k2f n ILE 247 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1k2f n ALA 248 N -2.36 0.72 -0.03 -1.39 0.00 -1.26 -1.60 120.51 114.60 1k2f n ALA 248 Ca -0.05 1.03 -0.16 0.00 0.00 0.00 0.00 53.44 54.26 1k2f n ALA 248 Cb 0.57 -0.87 -0.09 0.00 0.00 0.00 0.00 19.45 19.06 1k2f n ALA 248 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1k2f h THR 249 N 0.00 1.41 -0.56 0.00 2.02 -1.90 -2.49 112.91 111.39 1k2f h THR 249 Ca 0.70 -1.81 0.01 0.00 0.77 0.00 0.00 66.41 66.07 1k2f h THR 249 Cb 1.65 2.32 -0.03 0.00 -1.74 0.00 0.00 68.15 70.35 1k2f h THR 249 CO -0.85 0.53 0.36 0.00 0.37 0.00 0.00 175.52 175.94 1k2f h ALA 250 N 0.43 0.71 -0.59 6.16 0.00 -1.61 -1.39 119.26 122.97 1k2f h ALA 250 Ca -0.03 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1k2f h ALA 250 Cb 1.08 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 1k2f h ALA 250 CO 0.09 0.13 0.10 0.82 0.00 0.00 0.00 179.25 180.39 1k2f h ILE 251 N 0.74 1.26 -0.46 0.00 2.04 -1.43 0.74 117.51 120.40 1k2f h ILE 251 Ca 0.21 -0.97 -0.07 0.00 1.00 0.00 0.00 64.86 65.02 1k2f h ILE 251 Cb -0.07 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 1k2f h ILE 251 CO -0.05 0.36 0.01 -0.03 0.00 0.00 0.00 178.15 178.43 1k2f h MET 252 N 0.87 0.75 -0.03 2.37 4.05 -1.16 -2.46 114.93 119.33 1k2f h MET 252 Ca 0.18 -0.19 0.00 0.00 -0.28 0.00 0.00 59.70 59.41 1k2f h MET 252 Cb 0.41 -0.09 0.00 0.00 -0.80 0.00 0.00 31.60 31.12 1k2f h MET 252 CO 0.01 0.76 0.00 0.09 0.23 0.00 0.00 176.91 178.00 1k2f n ASN 253 N -4.23 1.86 -1.40 1.39 3.02 -0.55 -4.94 115.26 110.42 1k2f n ASN 253 Ca 0.02 -1.63 -0.14 0.00 -0.03 0.00 0.00 54.58 52.81 1k2f n ASN 253 Cb 0.29 -0.01 -0.02 0.00 -0.61 0.00 0.00 39.78 39.42 1k2f n ASN 253 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1k2f n SER 254 N 0.46 -4.39 -4.05 6.41 7.64 0.76 -4.93 113.62 115.52 1k2f n SER 254 Ca 0.18 0.11 -0.43 0.00 1.01 0.00 0.00 58.87 59.74 1k2f n SER 254 Cb 0.41 -3.40 0.00 0.00 -1.01 0.00 0.00 64.21 60.21 1k2f n SER 254 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1k2f n ASP 255 N -0.49 5.13 -2.67 6.43 2.03 0.22 -4.78 116.55 122.43 1k2f n ASP 255 Ca -0.15 -3.07 0.03 0.00 0.52 0.00 0.00 54.79 52.11 1k2f n ASP 255 Cb 0.57 -1.51 0.01 0.00 -0.72 0.00 0.00 41.12 39.46 1k2f n ASP 255 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1k2f s LEU 257 N 0.00 4.30 -0.12 0.00 2.96 -0.47 -4.93 118.68 120.41 1k2f s LEU 257 Ca 0.18 1.60 0.01 0.00 -0.22 0.00 0.00 54.13 55.70 1k2f s LEU 257 Cb -0.00 -3.56 0.02 0.00 0.50 0.00 0.00 46.19 43.15 1k2f s LEU 257 CO -0.02 -0.38 -0.14 -0.69 -1.32 0.00 0.00 176.35 173.81 1k2f s VAL 258 N 1.61 1.44 0.24 1.68 1.01 -1.26 -1.79 120.40 123.33 1k2f s VAL 258 Ca 0.50 -0.58 0.03 0.00 0.00 0.00 0.00 61.98 61.94 1k2f s VAL 258 Cb -0.20 -1.35 -0.01 0.00 0.00 0.00 0.00 36.38 34.82 1k2f s VAL 258 CO 0.22 0.43 0.25 2.22 0.00 0.00 0.00 175.10 178.22 1k2f n PHE 259 N 4.54 -0.76 -4.06 5.22 1.16 -0.92 -4.98 117.46 117.66 1k2f n PHE 259 Ca -0.17 -1.88 -0.04 0.00 -1.87 0.00 0.00 57.45 53.49 1k2f n PHE 259 Cb 0.51 0.27 -0.02 0.00 -1.61 0.00 0.00 39.48 38.63 1k2f n PHE 259 CO 0.00 0.00 0.00 -0.40 -1.87 0.00 0.00 176.76 174.49 1k2f n ASP 260 N -1.98 -0.12 -0.15 5.98 5.68 -1.26 0.91 116.55 125.62 1k2f n ASP 260 Ca 0.04 -1.48 -0.03 0.00 -0.50 0.00 0.00 54.79 52.82 1k2f n ASP 260 Cb 0.42 0.36 0.06 0.00 -1.14 0.00 0.00 41.12 40.82 1k2f n ASP 260 CO 0.00 0.00 0.00 0.74 -1.33 0.00 0.00 177.20 176.61 1k2f h THR 261 N 1.23 0.77 0.04 2.12 2.02 -1.92 -0.18 112.91 116.99 1k2f h THR 261 Ca -0.05 -0.09 0.01 0.00 0.77 0.00 0.00 66.41 67.05 1k2f h THR 261 Cb 0.26 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 1k2f h THR 261 CO 0.08 0.05 -0.10 0.28 0.37 0.00 0.00 175.52 176.20 1k2f h SER 262 N 0.26 -0.27 -0.79 4.18 0.02 -1.97 -0.68 113.55 114.30 1k2f h SER 262 Ca 0.24 0.04 -0.04 0.00 -0.84 0.00 0.00 61.79 61.18 1k2f h SER 262 Cb 0.29 0.11 -0.04 0.00 0.14 0.00 0.00 62.40 62.91 1k2f h SER 262 CO -0.29 -0.15 0.33 0.40 -1.14 0.00 0.00 176.83 175.98 1k2f h ILE 263 N -0.19 1.26 -0.43 3.27 2.04 -1.91 -1.83 117.51 119.72 1k2f h ILE 263 Ca 0.02 -0.80 0.00 0.00 1.00 0.00 0.00 64.86 65.08 1k2f h ILE 263 Cb 0.21 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 36.57 1k2f h ILE 263 CO -0.07 0.33 0.28 0.00 0.00 0.00 0.00 178.15 178.69 1k2f h ALA 264 N 1.20 1.69 0.00 1.87 0.00 -0.67 -1.51 119.26 121.83 1k2f h ALA 264 Ca 0.27 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1k2f h ALA 264 Cb 0.20 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1k2f h ALA 264 CO -0.02 0.29 -0.03 0.37 0.00 0.00 0.00 179.25 179.86 1k2f h GLN 265 N 0.59 0.00 0.00 0.00 4.15 -0.24 0.28 115.11 119.89 1k2f h GLN 265 Ca 0.16 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.58 1k2f h GLN 265 Cb -0.06 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.63 1k2f h GLN 265 CO -0.03 0.03 0.00 -0.07 -1.93 0.00 0.00 178.83 176.83 1k2f h LEU 266 N 0.00 0.00 0.00 -2.39 3.38 -1.25 -3.37 115.31 111.68 1k2f h LEU 266 Ca -0.00 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.81 1k2f h LEU 266 Cb 0.06 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1k2f h LEU 266 CO 0.00 0.00 -1.61 0.49 0.09 0.00 0.00 178.44 177.42 1k2f n PHE 267 N -2.88 0.00 -1.88 1.13 3.01 -0.35 -4.78 117.46 111.71 1k2f n PHE 267 Ca 0.04 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 58.15 1k2f n PHE 267 Cb 0.49 -0.42 0.04 0.00 -0.01 0.00 0.00 39.48 39.59 1k2f n PHE 267 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1k2f s ALA 268 N -2.21 2.46 -0.03 4.37 0.00 0.85 -4.82 121.76 122.38 1k2f s ALA 268 Ca -0.11 0.86 -0.01 0.00 0.00 0.00 0.00 51.96 52.70 1k2f s ALA 268 Cb 0.03 -3.41 0.03 0.00 0.00 0.00 0.00 23.12 19.77 1k2f s ALA 268 CO 0.28 -1.27 0.06 -1.21 0.00 0.00 0.00 175.76 173.62 1k2f s GLU 269 N -3.60 0.00 -1.63 0.00 2.02 -0.47 -4.84 118.70 110.18 1k2f s GLU 269 Ca 0.74 0.21 -0.02 0.00 0.02 0.00 0.00 54.97 55.91 1k2f s GLU 269 Cb -0.27 -0.19 0.00 0.00 0.10 0.00 0.00 34.13 33.77 1k2f s GLU 269 CO 0.36 -0.14 0.32 0.09 0.02 0.00 0.00 175.26 175.91 1k2f n ASN 270 N 4.01 -5.95 0.00 -0.19 3.02 -1.26 -1.65 115.26 113.24 1k2f n ASN 270 Ca -0.25 -0.16 0.00 0.00 -0.03 0.00 0.00 54.58 54.14 1k2f n ASN 270 Cb 0.52 -4.86 0.00 0.00 -0.61 0.00 0.00 39.78 34.83 1k2f n ASN 270 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1k2f n GLY 271 N -1.28 0.85 3.66 7.41 0.00 -1.26 -4.89 105.19 109.68 1k2f n GLY 271 Ca -0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 1k2f n GLY 271 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1k2f s ASN 272 N -2.84 4.85 -0.12 1.61 0.01 -0.66 -1.94 114.94 115.83 1k2f s ASN 272 Ca 0.00 -0.27 0.00 0.00 -0.71 0.00 0.00 52.86 51.89 1k2f s ASN 272 Cb 0.00 -1.09 0.02 0.00 0.41 0.00 0.00 41.25 40.60 1k2f s ASN 272 CO 0.00 0.16 -0.11 -0.22 -1.51 0.00 0.00 177.10 175.41 1k2f s LEU 273 N -2.43 1.46 -0.17 0.60 2.96 -0.08 -1.36 118.68 119.66 1k2f s LEU 273 Ca 0.25 -0.38 -0.17 0.00 -0.22 0.00 0.00 54.13 53.61 1k2f s LEU 273 Cb -0.11 -0.99 -0.04 0.00 0.50 0.00 0.00 46.19 45.55 1k2f s LEU 273 CO 0.17 -0.07 0.42 -0.83 -1.32 0.00 0.00 176.35 174.73 1k2f s GLY 274 N 1.47 2.19 -0.21 7.98 0.00 -1.26 -0.66 107.32 116.83 1k2f s GLY 274 Ca 0.02 -0.40 0.01 0.00 0.00 0.00 0.00 44.72 44.36 1k2f s GLY 274 CO -0.08 0.79 -0.16 -0.42 0.00 0.00 0.00 173.10 173.23 1k2f s ILE 275 N 1.04 2.14 0.03 0.90 1.01 0.11 -4.36 121.20 122.07 1k2f s ILE 275 Ca 0.21 -1.16 -0.30 0.00 0.00 0.00 0.00 60.65 59.40 1k2f s ILE 275 Cb -0.15 -2.02 -0.05 0.00 0.01 0.00 0.00 42.46 40.26 1k2f s ILE 275 CO 0.08 0.35 1.11 0.20 0.00 0.00 0.00 174.94 176.68 1k2f s ASN 276 N 1.23 7.19 -0.18 3.58 0.01 0.73 -0.14 114.94 127.36 1k2f s ASN 276 Ca 0.00 1.87 0.00 0.00 -0.71 0.00 0.00 52.86 54.03 1k2f s ASN 276 Cb -0.15 -2.57 0.04 0.00 0.41 0.00 0.00 41.25 38.97 1k2f s ASN 276 CO -0.10 -0.39 -0.08 -0.69 -1.51 0.00 0.00 177.10 174.33 1k2f s VAL 277 N 1.07 1.35 -0.09 1.60 1.01 -0.45 -0.18 120.40 124.70 1k2f s VAL 277 Ca 0.56 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.77 1k2f s VAL 277 Cb -0.26 -1.49 -0.01 0.00 0.00 0.00 0.00 36.38 34.63 1k2f s VAL 277 CO 0.29 0.14 -0.20 -0.89 0.00 0.00 0.00 175.10 174.44 1k2f s THR 278 N 1.52 2.43 -0.06 3.92 2.01 0.20 -1.53 115.64 124.12 1k2f s THR 278 Ca -0.00 -0.90 0.05 0.00 0.31 0.00 0.00 61.69 61.15 1k2f s THR 278 Cb -0.16 -1.95 -0.01 0.00 0.01 0.00 0.00 72.50 70.39 1k2f s THR 278 CO -0.08 0.55 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.55 1k2f s ILE 279 N 0.13 2.31 0.03 1.82 1.01 0.45 -0.05 121.20 126.90 1k2f s ILE 279 Ca -0.10 -0.98 -0.00 0.00 0.00 0.00 0.00 60.65 59.57 1k2f s ILE 279 Cb -0.16 -1.86 -0.03 0.00 0.01 0.00 0.00 42.46 40.42 1k2f s ILE 279 CO 0.06 0.57 -0.03 -0.94 0.00 0.00 0.00 174.94 174.60 1k2f s SER 280 N -0.23 0.37 -0.00 3.58 1.04 -0.14 -4.81 113.70 113.51 1k2f s SER 280 Ca -0.01 -0.68 -0.23 0.00 0.48 0.00 0.00 55.95 55.51 1k2f s SER 280 Cb -0.13 0.13 -0.05 0.00 0.10 0.00 0.00 66.02 66.07 1k2f s SER 280 CO 0.03 -0.40 0.69 -0.04 0.98 0.00 0.00 173.24 174.50 1k2f s MET 281 N -2.34 4.42 0.00 4.02 1.00 -1.26 -0.97 119.30 124.17 1k2f s MET 281 Ca -0.07 0.91 0.12 0.00 0.00 0.00 0.00 55.69 56.65 1k2f s MET 281 Cb -0.04 -3.38 0.74 0.00 0.00 0.00 0.00 34.83 32.15 1k2f s MET 281 CO -0.04 0.25 1.17 0.00 0.00 0.00 0.00 175.02 176.40