#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xls n GLN 118 N 0.00 0.27 0.23 -3.83 7.27 -1.26 -4.33 117.38 115.73 1xls n GLN 118 Ca 0.00 0.12 0.17 0.00 0.07 0.00 0.00 57.00 57.35 1xls n GLN 118 Cb 0.00 -0.95 0.86 0.00 2.41 0.00 0.00 30.24 32.56 1xls n GLN 118 CO 0.00 0.00 0.00 0.37 0.07 0.00 0.00 177.06 177.50 1xls h GLN 119 N -0.46 0.00 0.37 3.69 4.15 -2.06 -2.09 115.11 118.71 1xls h GLN 119 Ca -0.30 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.11 1xls h GLN 119 Cb 1.21 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.91 1xls h GLN 119 CO -0.18 0.00 -0.18 1.96 -1.93 0.00 0.00 178.83 178.50 1xls h GLN 120 N 0.00 -0.48 -0.65 1.69 4.20 -2.00 -1.52 115.11 116.36 1xls h GLN 120 Ca 0.06 0.03 0.19 0.00 0.06 0.00 0.00 58.65 58.99 1xls h GLN 120 Cb 0.35 0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.21 1xls h GLN 120 CO -0.00 -0.18 0.71 0.87 -0.67 0.00 0.00 178.83 179.55 1xls h LYS 121 N -1.01 0.00 0.02 1.46 1.57 -1.59 0.56 116.57 117.59 1xls h LYS 121 Ca -0.05 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.60 1xls h LYS 121 Cb 0.51 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.83 1xls h LYS 121 CO 0.08 0.00 -0.53 0.93 -0.57 0.00 0.00 179.45 179.36 1xls h GLU 122 N 0.00 0.33 0.19 3.15 5.08 -1.23 -2.17 114.58 119.93 1xls h GLU 122 Ca 0.31 -0.38 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1xls h GLU 122 Cb 1.72 0.11 0.00 0.00 0.50 0.00 0.00 28.75 31.08 1xls h GLU 122 CO -0.00 1.08 -0.09 1.25 -1.00 0.00 0.00 179.01 180.24 1xls h LEU 123 N -0.25 -0.21 -0.84 1.33 6.46 0.11 0.17 115.31 122.07 1xls h LEU 123 Ca -0.07 -0.02 0.10 0.00 -0.12 0.00 0.00 57.88 57.77 1xls h LEU 123 Cb 1.28 0.06 -0.08 0.00 -0.73 0.00 0.00 40.66 41.19 1xls h LEU 123 CO 0.10 -0.12 0.48 0.58 -0.62 0.00 0.00 178.44 178.87 1xls h VAL 124 N -0.29 0.89 -0.18 1.05 2.07 -1.13 0.11 116.25 118.77 1xls h VAL 124 Ca -0.03 -0.27 0.01 0.00 0.82 0.00 0.00 66.70 67.24 1xls h VAL 124 Cb 0.22 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.01 1xls h VAL 124 CO 0.04 0.14 0.07 -0.61 0.02 0.00 0.00 177.57 177.24 1xls h GLN 125 N 0.79 0.16 0.22 1.57 4.15 -0.85 0.18 115.11 121.33 1xls h GLN 125 Ca 0.41 -0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.83 1xls h GLN 125 Cb 0.41 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 28.03 1xls h GLN 125 CO -0.26 0.11 -0.31 0.82 -1.93 0.00 0.00 178.83 177.25 1xls h ILE 126 N 0.17 0.34 0.07 2.39 5.03 0.11 -2.01 117.51 123.60 1xls h ILE 126 Ca 0.08 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.82 1xls h ILE 126 Cb 0.03 0.34 -0.01 0.00 -3.03 0.00 0.00 36.82 34.15 1xls h ILE 126 CO -0.07 0.00 -0.13 -0.07 -0.68 0.00 0.00 178.15 177.21 1xls h LEU 127 N -0.60 -0.36 -0.82 1.44 3.38 -0.62 -1.48 115.31 116.25 1xls h LEU 127 Ca 0.01 0.03 0.28 0.00 0.09 0.00 0.00 57.88 58.29 1xls h LEU 127 Cb 0.58 0.13 -0.15 0.00 0.09 0.00 0.00 40.66 41.31 1xls h LEU 127 CO -0.12 -0.15 0.20 0.18 0.09 0.00 0.00 178.44 178.64 1xls n LEU 128 N -3.11 0.07 0.01 1.67 4.77 0.62 -0.41 117.00 120.61 1xls n LEU 128 Ca -0.02 1.38 -0.13 0.00 -0.03 0.00 0.00 56.01 57.21 1xls n LEU 128 Cb 0.10 -0.57 -0.09 0.00 -2.33 0.00 0.00 43.42 40.53 1xls n LEU 128 CO 0.05 -1.46 0.61 1.23 -1.33 0.00 0.00 177.39 176.50 1xls h GLY 129 N 0.00 -0.06 0.35 -0.72 0.00 -0.95 -0.57 103.07 101.13 1xls h GLY 129 Ca 0.58 0.02 0.13 0.00 0.00 0.00 0.00 47.33 48.06 1xls h GLY 129 CO -0.71 -0.02 0.49 0.00 0.00 0.00 0.00 176.54 176.30 1xls h ALA 130 N 0.39 1.32 0.76 3.60 0.00 0.33 -0.87 119.26 124.78 1xls h ALA 130 Ca -0.01 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1xls h ALA 130 Cb 0.48 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.18 1xls h ALA 130 CO 0.01 0.03 -0.36 1.25 0.00 0.00 0.00 179.25 180.17 1xls h HIS 131 N 0.75 -0.95 -0.11 0.00 6.17 -0.81 -1.93 115.15 118.28 1xls h HIS 131 Ca 0.46 -0.02 0.03 0.00 0.71 0.00 0.00 60.37 61.55 1xls h HIS 131 Cb 0.55 0.31 -0.00 0.00 2.52 0.00 0.00 27.41 30.79 1xls h HIS 131 CO -0.06 -0.58 0.17 1.79 0.71 0.00 0.00 177.93 179.96 1xls h THR 132 N -1.26 0.30 0.10 6.26 1.35 -0.82 0.26 112.91 119.09 1xls h THR 132 Ca -0.10 0.00 -0.31 0.00 -0.55 0.00 0.00 66.41 65.44 1xls h THR 132 Cb 0.79 0.85 -0.01 0.00 -1.73 0.00 0.00 68.15 68.04 1xls h THR 132 CO 0.17 0.00 -1.62 -0.09 -0.25 0.00 0.00 175.52 173.73 1xls h ARG 133 N 0.00 0.21 0.00 4.72 2.43 -1.11 -3.39 114.38 117.25 1xls h ARG 133 Ca 0.05 -0.36 -0.15 0.00 -0.81 0.00 0.00 59.98 58.71 1xls h ARG 133 Cb 0.39 0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 30.05 1xls h ARG 133 CO -0.00 1.04 -1.70 0.72 -1.51 0.00 0.00 179.97 178.52 1xls n HIS 134 N -3.40 0.00 -0.01 2.20 8.25 -0.73 -4.86 115.22 116.67 1xls n HIS 134 Ca -0.19 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.26 1xls n HIS 134 Cb 1.04 -0.47 -0.01 0.00 1.12 0.00 0.00 29.99 31.68 1xls n HIS 134 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 1xls n VAL 135 N -2.27 0.10 -0.27 1.59 0.24 -0.00 -4.54 118.33 113.18 1xls n VAL 135 Ca -0.14 -0.04 0.18 0.00 -2.04 0.00 0.00 64.34 62.30 1xls n VAL 135 Cb 0.71 -0.74 0.33 0.00 -1.47 0.00 0.00 33.84 32.67 1xls n VAL 135 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xls n GLY 136 N 3.32 -0.88 1.44 7.63 0.00 -0.71 0.14 105.19 116.13 1xls n GLY 136 Ca -0.03 0.72 0.09 0.00 0.00 0.00 0.00 46.02 46.81 1xls n GLY 136 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1xls n PRO 137 N -4.99 3.27 0.22 1.61 -0.04 -1.26 -4.41 135.00 129.40 1xls n PRO 137 Ca 0.24 -2.61 0.08 0.00 -0.04 0.00 0.00 63.50 61.18 1xls n PRO 137 Cb 0.79 -1.76 0.52 0.00 -0.04 0.00 0.00 33.50 33.01 1xls n PRO 137 CO 0.00 0.00 0.00 1.37 -0.04 0.00 0.00 175.50 176.83 1xls h LEU 138 N 3.88 0.00 -0.46 1.53 8.10 1.00 -3.15 115.31 126.20 1xls h LEU 138 Ca 0.00 0.00 -0.15 0.00 0.11 0.00 0.00 57.88 57.84 1xls h LEU 138 Cb 1.24 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.45 1xls h LEU 138 CO 0.16 0.24 -0.38 -0.26 -4.11 0.00 0.00 178.44 174.09 1xls h PHE 139 N 0.00 1.03 0.00 0.17 -1.00 -1.77 -2.91 116.94 112.46 1xls h PHE 139 Ca -0.00 -0.30 -0.02 0.00 2.81 0.00 0.00 57.97 60.45 1xls h PHE 139 Cb 0.59 -0.22 -0.00 0.00 3.61 0.00 0.00 35.95 39.92 1xls h PHE 139 CO 0.00 1.11 -0.09 -0.44 -1.61 0.00 0.00 178.31 177.27 1xls h ASP 140 N 0.71 0.00 -0.02 2.17 3.45 -1.86 -2.48 116.42 118.39 1xls h ASP 140 Ca 0.06 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.52 1xls h ASP 140 Cb 0.96 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.73 1xls h ASP 140 CO 0.09 0.09 0.00 0.00 -1.57 0.00 0.00 179.24 177.85 1xls n GLN 141 N -4.15 1.08 0.25 3.56 1.13 -1.10 -4.07 117.38 114.09 1xls n GLN 141 Ca -0.03 -0.12 0.12 0.00 -1.94 0.00 0.00 57.00 55.03 1xls n GLN 141 Cb 0.18 -1.22 0.67 0.00 0.11 0.00 0.00 30.24 29.97 1xls n GLN 141 CO 0.00 0.00 0.00 0.74 -1.44 0.00 0.00 177.06 176.36 1xls h PHE 142 N 0.24 0.00 0.00 1.08 0.04 -1.54 -2.22 116.94 114.54 1xls h PHE 142 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1xls h PHE 142 Cb 0.05 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.20 1xls h PHE 142 CO 0.02 0.14 0.00 1.33 -0.60 0.00 0.00 178.31 179.20 1xls n VAL 143 N -3.59 1.44 0.67 -0.55 0.24 -1.26 -1.43 118.33 113.86 1xls n VAL 143 Ca -0.01 0.42 0.12 0.00 -2.04 0.00 0.00 64.34 62.82 1xls n VAL 143 Cb 0.28 -1.32 0.47 0.00 -1.47 0.00 0.00 33.84 31.80 1xls n VAL 143 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1xls n GLN 144 N -1.65 0.12 -2.08 7.34 6.02 -0.84 -4.13 117.38 122.16 1xls n GLN 144 Ca 0.01 0.20 -0.31 0.00 -0.01 0.00 0.00 57.00 56.89 1xls n GLN 144 Cb 0.08 -1.67 0.03 0.00 1.02 0.00 0.00 30.24 29.70 1xls n GLN 144 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1xls n PHE 145 N -1.88 3.15 -3.73 1.08 3.72 -0.51 -4.95 117.46 114.34 1xls n PHE 145 Ca 0.05 -2.72 -0.30 0.00 -0.05 0.00 0.00 57.45 54.43 1xls n PHE 145 Cb 0.31 -0.62 0.03 0.00 -0.94 0.00 0.00 39.48 38.27 1xls n PHE 145 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1xls n ARG 146 N -0.60 -1.77 -2.42 -1.08 3.00 -1.26 -4.67 116.66 107.87 1xls n ARG 146 Ca 0.47 0.46 -0.42 0.00 -0.01 0.00 0.00 57.85 58.35 1xls n ARG 146 Cb 0.60 -4.25 -0.03 0.00 0.00 0.00 0.00 32.46 28.79 1xls n ARG 146 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 1xls s PRO 147 N -6.07 4.46 0.27 5.56 0.04 -1.26 -4.78 135.00 133.23 1xls s PRO 147 Ca 0.37 1.80 -0.30 0.00 0.04 0.00 0.00 61.00 62.91 1xls s PRO 147 Cb -0.13 -3.31 -0.13 0.00 0.04 0.00 0.00 34.50 30.97 1xls s PRO 147 CO 0.86 -0.18 1.40 -2.30 0.04 0.00 0.00 177.00 176.82 1xls n PRO 148 N 3.39 2.15 -0.33 0.56 -0.02 -1.26 -4.86 135.00 134.62 1xls n PRO 148 Ca 0.07 0.76 0.04 0.00 -2.02 0.00 0.00 63.50 62.36 1xls n PRO 148 Cb 0.46 -2.41 0.11 0.00 -0.02 0.00 0.00 33.50 31.64 1xls n PRO 148 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xls n ALA 149 N 1.51 0.17 -0.28 3.55 0.00 -1.26 -1.49 120.51 122.71 1xls n ALA 149 Ca 0.09 0.99 0.10 0.00 0.00 0.00 0.00 53.44 54.63 1xls n ALA 149 Cb 0.33 -0.57 0.25 0.00 0.00 0.00 0.00 19.45 19.46 1xls n ALA 149 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 177.50 177.60 1xls h TYR 150 N 0.00 0.38 0.00 0.00 -0.00 -1.98 -0.74 116.97 114.63 1xls h TYR 150 Ca 0.42 0.05 0.00 0.00 -0.00 0.00 0.00 58.73 59.20 1xls h TYR 150 Cb 0.65 -0.04 0.00 0.00 -0.00 0.00 0.00 36.73 37.34 1xls h TYR 150 CO -0.72 -0.13 0.40 1.28 -0.00 0.00 0.00 178.16 178.98 1xls n LEU 151 N -5.17 0.03 0.04 0.10 4.32 -0.55 0.90 117.00 116.67 1xls n LEU 151 Ca 0.19 0.19 0.12 0.00 -0.02 0.00 0.00 56.01 56.49 1xls n LEU 151 Cb 0.60 -0.16 0.22 0.00 -1.62 0.00 0.00 43.42 42.46 1xls n LEU 151 CO 0.10 -0.20 0.41 0.49 -1.22 0.00 0.00 177.39 176.96 1xls n PHE 152 N -1.29 0.35 -2.70 -1.77 3.01 -0.28 -1.62 117.46 113.15 1xls n PHE 152 Ca -0.00 0.10 -0.20 0.00 1.01 0.00 0.00 57.45 58.36 1xls n PHE 152 Cb 0.40 -0.52 0.03 0.00 -0.01 0.00 0.00 39.48 39.39 1xls n PHE 152 CO 0.00 0.00 0.00 -1.64 1.01 0.00 0.00 176.76 176.13 1xls s MET 153 N -3.11 2.57 0.00 -1.08 -1.94 0.26 -4.87 119.30 111.13 1xls s MET 153 Ca 0.08 -0.87 0.04 0.00 -1.71 0.00 0.00 55.69 53.23 1xls s MET 153 Cb 0.15 -2.53 -0.00 0.00 2.01 0.00 0.00 34.83 34.46 1xls s MET 153 CO 0.71 -0.66 0.40 0.72 -0.01 0.00 0.00 175.02 176.18 1xls n HIS 154 N -2.27 0.00 -3.70 -0.03 8.25 -1.26 -4.58 115.22 111.63 1xls n HIS 154 Ca 0.08 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.38 1xls n HIS 154 Cb 0.60 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.55 1xls n HIS 154 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1xls s HIS 155 N -0.90 -0.10 0.00 4.41 3.76 -1.26 -5.16 115.29 116.04 1xls s HIS 155 Ca 0.03 0.45 0.00 0.00 -0.15 0.00 0.00 55.06 55.40 1xls s HIS 155 Cb 0.03 -0.26 0.00 0.00 1.11 0.00 0.00 32.58 33.47 1xls s HIS 155 CO 0.11 -0.21 0.00 0.54 -0.85 0.00 0.00 174.74 174.34 1xls n ARG 156 N 4.90 0.13 -1.92 1.40 3.00 -1.26 -5.09 116.66 117.82 1xls n ARG 156 Ca -0.13 0.00 -0.29 0.00 -0.01 0.00 0.00 57.85 57.42 1xls n ARG 156 Cb 0.50 0.00 0.10 0.00 0.00 0.00 0.00 32.46 33.07 1xls n ARG 156 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 1xls s PRO 157 N 0.15 1.76 0.34 5.56 0.04 -1.26 -5.18 135.00 136.41 1xls s PRO 157 Ca 0.00 0.00 0.09 0.00 0.04 0.00 0.00 61.00 61.14 1xls s PRO 157 Cb 0.00 -1.95 -0.06 0.00 0.04 0.00 0.00 34.50 32.53 1xls s PRO 157 CO 0.00 -1.71 -0.05 0.12 0.04 0.00 0.00 177.00 175.40 1xls s PHE 158 N -3.61 2.47 -0.16 0.56 5.36 -1.26 -5.11 117.98 116.23 1xls s PHE 158 Ca 0.64 -0.47 -0.29 0.00 -0.96 0.00 0.00 56.93 55.84 1xls s PHE 158 Cb -0.10 -1.43 -0.01 0.00 -0.34 0.00 0.00 43.02 41.14 1xls s PHE 158 CO 0.49 0.54 1.17 -0.65 -1.46 0.00 0.00 175.22 175.31 1xls s GLN 159 N -3.66 4.28 0.51 10.12 -1.52 -1.26 -4.93 119.66 123.21 1xls s GLN 159 Ca 0.34 1.56 0.34 0.00 -1.95 0.00 0.00 55.36 55.65 1xls s GLN 159 Cb 0.01 -3.67 1.82 0.00 -0.22 0.00 0.00 33.01 30.95 1xls s GLN 159 CO 0.18 -0.60 2.05 -1.00 -0.25 0.00 0.00 175.29 175.67 1xls h PRO 160 N 7.76 0.00 0.00 2.91 0.13 -2.04 -1.26 132.00 139.51 1xls h PRO 160 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1xls h PRO 160 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1xls h PRO 160 CO 0.95 0.00 -0.27 -2.13 -0.23 0.00 0.00 178.00 176.32 1xls n ARG 161 N -2.74 5.14 -1.66 0.86 3.00 -1.26 -5.03 116.66 114.98 1xls n ARG 161 Ca -0.02 -0.00 -0.59 0.00 -0.00 0.00 0.00 57.85 57.24 1xls n ARG 161 Cb 0.08 -0.76 -0.08 0.00 0.00 0.00 0.00 32.46 31.70 1xls n ARG 161 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1xls n GLY 162 N 1.14 0.39 3.70 5.14 0.00 -0.48 -4.72 105.19 110.36 1xls n GLY 162 Ca 0.01 0.87 -0.65 0.00 0.00 0.00 0.00 46.02 46.26 1xls n GLY 162 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1xls n PRO 163 N 3.71 0.20 0.06 1.61 -0.04 -1.26 -4.84 135.00 134.44 1xls n PRO 163 Ca 0.25 0.07 -0.03 0.00 -0.04 0.00 0.00 63.50 63.75 1xls n PRO 163 Cb 0.08 -1.60 -0.08 0.00 -0.04 0.00 0.00 33.50 31.86 1xls n PRO 163 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 1xls h VAL 164 N 4.66 1.07 -0.89 0.52 3.04 -1.92 -3.37 116.25 119.37 1xls h VAL 164 Ca -0.46 -2.67 0.23 0.00 -1.01 0.00 0.00 66.70 62.80 1xls h VAL 164 Cb 1.37 2.48 -0.16 0.00 -2.01 0.00 0.00 31.29 32.98 1xls h VAL 164 CO 0.92 0.61 0.08 0.25 -1.01 0.00 0.00 177.57 178.41 1xls h LEU 165 N 0.00 -0.31 -0.31 3.16 5.85 -1.94 -0.01 115.31 121.74 1xls h LEU 165 Ca -0.09 0.23 0.01 0.00 0.84 0.00 0.00 57.88 58.87 1xls h LEU 165 Cb 1.68 0.38 -0.02 0.00 0.37 0.00 0.00 40.66 43.07 1xls h LEU 165 CO 0.09 -0.25 0.19 -0.65 -0.34 0.00 0.00 178.44 177.47 1xls h PRO 166 N 0.09 0.37 -0.15 5.25 0.11 -1.98 -0.46 132.00 135.24 1xls h PRO 166 Ca 0.53 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.61 1xls h PRO 166 Cb 1.04 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.06 1xls h PRO 166 CO -0.77 0.25 0.07 1.25 -0.21 0.00 0.00 178.00 178.59 1xls h LEU 167 N 0.39 0.19 -0.15 2.35 5.85 -1.28 -0.44 115.31 122.22 1xls h LEU 167 Ca 0.12 -0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.75 1xls h LEU 167 Cb -0.01 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 1xls h LEU 167 CO -0.05 0.26 -0.07 0.25 -0.34 0.00 0.00 178.44 178.50 1xls h LEU 168 N 0.11 -0.22 -1.01 2.25 6.46 -1.15 -0.39 115.31 121.36 1xls h LEU 168 Ca 0.05 0.06 0.16 0.00 -0.12 0.00 0.00 57.88 58.03 1xls h LEU 168 Cb 0.12 0.13 -0.10 0.00 -0.73 0.00 0.00 40.66 40.08 1xls h LEU 168 CO -0.01 -0.09 0.62 0.74 -0.62 0.00 0.00 178.44 179.09 1xls h THR 169 N -0.05 0.81 -0.31 1.05 2.02 -0.82 0.79 112.91 116.39 1xls h THR 169 Ca 0.08 -0.30 -0.05 0.00 0.77 0.00 0.00 66.41 66.91 1xls h THR 169 Cb 0.17 -0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 66.42 1xls h THR 169 CO -0.18 0.16 -0.00 -0.74 0.37 0.00 0.00 175.52 175.13 1xls h HIS 170 N 0.88 0.61 -1.00 3.16 -0.00 0.04 -0.31 115.15 118.52 1xls h HIS 170 Ca 0.54 -0.11 0.03 0.00 -0.00 0.00 0.00 60.37 60.83 1xls h HIS 170 Cb 0.71 -0.16 -0.05 0.00 -0.00 0.00 0.00 27.41 27.90 1xls h HIS 170 CO -0.00 0.68 0.66 0.74 -0.00 0.00 0.00 177.93 180.01 1xls h PHE 171 N 0.35 1.23 -0.32 5.26 0.04 0.67 0.51 116.94 124.69 1xls h PHE 171 Ca 0.09 0.03 -0.15 0.00 2.80 0.00 0.00 57.97 60.74 1xls h PHE 171 Cb 0.44 -0.41 -0.01 0.00 2.20 0.00 0.00 35.95 38.17 1xls h PHE 171 CO 0.04 0.74 -0.40 0.00 -0.60 0.00 0.00 178.31 178.09 1xls h ALA 172 N 1.40 0.70 -0.46 2.45 0.00 -0.81 -2.73 119.26 119.81 1xls h ALA 172 Ca 0.39 -0.45 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 1xls h ALA 172 Cb -0.05 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1xls h ALA 172 CO -0.11 0.67 -0.03 -0.44 0.00 0.00 0.00 179.25 179.34 1xls h ASP 173 N 0.63 0.82 0.31 0.00 3.45 0.08 -2.13 116.42 119.59 1xls h ASP 173 Ca 0.05 -0.32 -0.10 0.00 0.43 0.00 0.00 57.03 57.09 1xls h ASP 173 Cb 0.95 -0.22 -0.01 0.00 -0.56 0.00 0.00 39.33 39.48 1xls h ASP 173 CO 0.09 0.95 -0.43 0.16 -1.57 0.00 0.00 179.24 178.44 1xls h ILE 174 N 0.68 1.32 -0.25 0.35 3.07 -0.96 -2.22 117.51 119.50 1xls h ILE 174 Ca 0.13 -1.54 -0.11 0.00 1.55 0.00 0.00 64.86 64.89 1xls h ILE 174 Cb 0.54 1.74 -0.00 0.00 -0.27 0.00 0.00 36.82 38.83 1xls h ILE 174 CO 0.03 0.45 -0.27 0.78 -1.05 0.00 0.00 178.15 178.09 1xls h ASN 175 N 0.13 0.66 0.01 2.16 4.21 -1.34 0.19 115.58 121.61 1xls h ASN 175 Ca 0.01 -0.48 0.02 0.00 1.21 0.00 0.00 56.30 57.06 1xls h ASN 175 Cb 0.81 -0.19 -0.03 0.00 -1.12 0.00 0.00 38.32 37.80 1xls h ASN 175 CO 0.06 1.01 -0.13 0.74 -1.29 0.00 0.00 177.43 177.83 1xls h THR 176 N 0.33 0.68 -0.62 2.81 2.02 -1.33 0.29 112.91 117.08 1xls h THR 176 Ca 0.04 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.31 1xls h THR 176 Cb 0.83 0.68 -0.07 0.00 -1.74 0.00 0.00 68.15 67.85 1xls h THR 176 CO 0.07 0.00 0.25 0.15 0.37 0.00 0.00 175.52 176.35 1xls h PHE 177 N -0.22 0.43 -0.38 3.16 3.57 -1.29 0.55 116.94 122.76 1xls h PHE 177 Ca 0.04 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.48 1xls h PHE 177 Cb 0.27 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 1xls h PHE 177 CO -0.18 0.12 -0.16 0.52 -2.23 0.00 0.00 178.31 176.38 1xls h MET 178 N 0.44 0.70 -0.30 1.11 2.86 0.14 -1.35 114.93 118.54 1xls h MET 178 Ca 0.31 -0.24 -0.12 0.00 -2.06 0.00 0.00 59.70 57.59 1xls h MET 178 Cb 0.37 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 31.98 1xls h MET 178 CO -0.30 0.82 -0.29 0.28 1.06 0.00 0.00 176.91 178.48 1xls h VAL 179 N 0.62 1.30 0.00 -2.22 2.07 0.64 -0.49 116.25 118.17 1xls h VAL 179 Ca 0.10 -1.45 -0.06 0.00 0.82 0.00 0.00 66.70 66.11 1xls h VAL 179 Cb 0.62 1.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.94 1xls h VAL 179 CO 0.04 0.47 -0.27 0.06 0.02 0.00 0.00 177.57 177.89 1xls h GLN 180 N 0.48 0.00 -0.05 1.57 3.07 -0.83 -0.97 115.11 118.36 1xls h GLN 180 Ca 0.05 0.00 -0.20 0.00 0.09 0.00 0.00 58.65 58.59 1xls h GLN 180 Cb 0.86 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.42 1xls h GLN 180 CO 0.07 0.27 -0.81 1.96 0.09 0.00 0.00 178.83 180.41 1xls h GLN 181 N 0.00 0.43 -0.10 0.06 1.08 -1.06 -2.48 115.11 113.04 1xls h GLN 181 Ca -0.00 -0.39 -0.08 0.00 -1.45 0.00 0.00 58.65 56.73 1xls h GLN 181 Cb 0.66 0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 28.17 1xls h GLN 181 CO 0.04 1.04 -0.30 0.82 -0.95 0.00 0.00 178.83 179.47 1xls h ILE 182 N 0.27 1.26 0.35 2.54 2.04 -0.43 -1.85 117.51 121.69 1xls h ILE 182 Ca -0.05 -1.21 -0.02 0.00 1.00 0.00 0.00 64.86 64.58 1xls h ILE 182 Cb 1.41 1.52 0.00 0.00 -0.74 0.00 0.00 36.82 39.01 1xls h ILE 182 CO 0.14 0.36 -0.17 0.40 0.00 0.00 0.00 178.15 178.88 1xls h ILE 183 N 0.17 0.44 -1.30 -0.67 2.04 -1.08 -1.70 117.51 115.40 1xls h ILE 183 Ca 0.02 -0.71 0.38 0.00 1.00 0.00 0.00 64.86 65.55 1xls h ILE 183 Cb 0.63 0.69 -0.07 0.00 -0.74 0.00 0.00 36.82 37.33 1xls h ILE 183 CO 0.05 0.10 0.91 0.11 0.00 0.00 0.00 178.15 179.31 1xls h LYS 184 N -0.97 0.08 0.36 2.37 1.57 -1.38 0.75 116.57 119.36 1xls h LYS 184 Ca -0.05 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 1xls h LYS 184 Cb 0.52 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.81 1xls h LYS 184 CO 0.08 0.05 -0.17 0.35 -0.57 0.00 0.00 179.45 179.19 1xls h PHE 185 N 0.08 -0.45 0.00 -1.35 3.57 -0.92 -2.99 116.94 114.89 1xls h PHE 185 Ca 0.66 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 62.13 1xls h PHE 185 Cb 2.40 0.15 -0.00 0.00 2.79 0.00 0.00 35.95 41.29 1xls h PHE 185 CO -0.00 -0.19 -0.09 1.79 -2.23 0.00 0.00 178.31 177.60 1xls h THR 186 N -0.66 0.97 0.00 4.41 1.35 0.14 -2.32 112.91 116.80 1xls h THR 186 Ca -0.05 -0.31 -0.03 0.00 -0.55 0.00 0.00 66.41 65.48 1xls h THR 186 Cb 0.47 1.17 -0.00 0.00 -1.73 0.00 0.00 68.15 68.06 1xls h THR 186 CO 0.08 0.09 -0.13 0.11 -0.25 0.00 0.00 175.52 175.42 1xls h LYS 187 N 0.00 0.00 -0.46 4.72 1.79 -1.03 -1.61 116.57 119.98 1xls h LYS 187 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1xls h LYS 187 Cb 0.16 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.81 1xls h LYS 187 CO 0.01 0.13 0.00 -0.25 -1.08 0.00 0.00 179.45 178.26 1xls n ASP 188 N -3.60 1.57 -4.04 0.86 9.92 -0.87 -4.61 116.55 115.77 1xls n ASP 188 Ca -0.02 -2.10 -0.33 0.00 -0.53 0.00 0.00 54.79 51.82 1xls n ASP 188 Cb 0.26 -0.29 -0.13 0.00 -0.64 0.00 0.00 41.12 40.31 1xls n ASP 188 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1xls s LEU 189 N -0.92 4.87 0.26 0.64 1.43 -0.61 -4.84 118.68 119.52 1xls s LEU 189 Ca 0.14 -2.37 -0.04 0.00 -1.03 0.00 0.00 54.13 50.83 1xls s LEU 189 Cb 0.09 -1.71 0.52 0.00 0.03 0.00 0.00 46.19 45.12 1xls s LEU 189 CO 0.08 -0.40 1.63 -0.65 0.23 0.00 0.00 176.35 177.24 1xls h PRO 190 N 7.45 0.10 -0.63 1.29 0.11 -1.84 0.73 132.00 139.21 1xls h PRO 190 Ca -0.07 -0.01 0.13 0.00 0.11 0.00 0.00 66.00 66.16 1xls h PRO 190 Cb 0.99 -0.02 -0.04 0.00 0.11 0.00 0.00 31.00 32.04 1xls h PRO 190 CO 0.62 0.07 0.43 -0.07 -0.21 0.00 0.00 178.00 178.84 1xls h LEU 191 N 0.10 0.28 0.00 2.35 3.38 -1.94 -0.96 115.31 118.53 1xls h LEU 191 Ca 0.46 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.44 1xls h LEU 191 Cb 0.85 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.55 1xls h LEU 191 CO -0.71 0.16 -0.01 0.15 0.09 0.00 0.00 178.44 178.12 1xls h PHE 192 N 0.31 0.00 0.00 1.13 3.57 0.15 -3.33 116.94 118.77 1xls h PHE 192 Ca 0.30 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.80 1xls h PHE 192 Cb 0.76 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.50 1xls h PHE 192 CO -0.00 0.00 0.04 0.54 -2.23 0.00 0.00 178.31 176.66 1xls n ARG 193 N -3.39 0.00 -0.15 1.11 5.12 -0.50 -0.77 116.66 118.08 1xls n ARG 193 Ca -0.00 0.25 0.05 0.00 -1.93 0.00 0.00 57.85 56.22 1xls n ARG 193 Cb 0.00 -1.54 0.14 0.00 -1.16 0.00 0.00 32.46 29.90 1xls n ARG 193 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1xls n SER 194 N -1.23 1.55 -4.88 0.55 2.88 -0.37 -4.89 113.62 107.24 1xls n SER 194 Ca 0.00 -1.99 -0.21 0.00 -1.33 0.00 0.00 58.87 55.34 1xls n SER 194 Cb 0.04 -0.19 -0.03 0.00 -0.75 0.00 0.00 64.21 63.28 1xls n SER 194 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1xls s LEU 195 N -1.01 3.48 0.47 2.46 1.43 0.05 -5.06 118.68 120.50 1xls s LEU 195 Ca 0.20 -0.64 -0.22 0.00 -1.03 0.00 0.00 54.13 52.43 1xls s LEU 195 Cb 0.10 -2.15 -0.09 0.00 0.03 0.00 0.00 46.19 44.08 1xls s LEU 195 CO 0.14 -0.56 0.95 0.41 0.23 0.00 0.00 176.35 177.52 1xls n THR 196 N -1.51 2.67 -0.10 5.49 -1.04 -1.26 -4.74 114.28 113.80 1xls n THR 196 Ca 0.02 -0.50 -0.08 0.00 -2.04 0.00 0.00 64.05 61.45 1xls n THR 196 Cb 0.61 -1.10 -0.01 0.00 -1.82 0.00 0.00 70.33 68.01 1xls n THR 196 CO 0.00 0.00 0.00 -0.03 -0.64 0.00 0.00 175.07 174.40 1xls h MET 197 N 1.20 0.39 0.00 -2.82 4.05 -1.97 -0.17 114.93 115.61 1xls h MET 197 Ca -0.45 -0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 58.94 1xls h MET 197 Cb 1.35 -0.09 -0.00 0.00 -0.80 0.00 0.00 31.60 32.06 1xls h MET 197 CO 0.55 0.26 -0.03 0.93 0.23 0.00 0.00 176.91 178.84 1xls h GLU 198 N 0.40 0.00 -0.05 0.39 5.08 -2.00 -2.26 114.58 116.15 1xls h GLU 198 Ca 0.13 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.34 1xls h GLU 198 Cb -0.01 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.25 1xls h GLU 198 CO -0.06 0.03 -0.56 -0.44 -1.00 0.00 0.00 179.01 176.99 1xls h ASP 199 N 0.00 0.58 -0.19 1.42 3.45 -1.48 -2.85 116.42 117.35 1xls h ASP 199 Ca -0.00 -0.70 0.01 0.00 0.43 0.00 0.00 57.03 56.77 1xls h ASP 199 Cb 0.38 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 38.96 1xls h ASP 199 CO 0.00 1.19 0.13 1.56 -1.57 0.00 0.00 179.24 180.56 1xls h GLN 200 N 0.02 0.22 0.13 3.56 4.20 -0.53 -1.88 115.11 120.84 1xls h GLN 200 Ca -0.05 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 1xls h GLN 200 Cb 1.23 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.96 1xls h GLN 200 CO 0.11 0.15 -0.06 0.82 -0.67 0.00 0.00 178.83 179.17 1xls h ILE 201 N 0.23 1.02 -0.23 2.54 1.08 -1.40 -1.66 117.51 119.09 1xls h ILE 201 Ca 0.07 -0.70 0.02 0.00 -0.39 0.00 0.00 64.86 63.87 1xls h ILE 201 Cb 0.02 1.45 -0.01 0.00 -3.07 0.00 0.00 36.82 35.21 1xls h ILE 201 CO -0.02 0.16 0.16 0.28 -0.69 0.00 0.00 178.15 178.05 1xls h SER 202 N -0.52 0.19 0.52 1.72 0.02 -1.18 0.28 113.55 114.57 1xls h SER 202 Ca -0.02 -0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.65 1xls h SER 202 Cb 0.41 -0.04 0.01 0.00 0.14 0.00 0.00 62.40 62.91 1xls h SER 202 CO 0.03 0.13 -1.25 -0.07 -1.14 0.00 0.00 176.83 174.54 1xls h LEU 203 N 0.22 0.53 0.20 5.07 3.38 -1.32 -2.42 115.31 120.98 1xls h LEU 203 Ca 0.10 -0.54 -0.01 0.00 0.09 0.00 0.00 57.88 57.51 1xls h LEU 203 Cb 0.11 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1xls h LEU 203 CO -0.02 1.41 -0.10 0.25 0.09 0.00 0.00 178.44 180.07 1xls h LEU 204 N 0.11 -0.23 -2.05 1.67 5.85 -0.52 0.54 115.31 120.68 1xls h LEU 204 Ca -0.15 -0.27 0.08 0.00 0.84 0.00 0.00 57.88 58.38 1xls h LEU 204 Cb 1.96 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 43.03 1xls h LEU 204 CO 0.21 0.19 0.23 0.11 -0.34 0.00 0.00 178.44 178.84 1xls h LYS 205 N -0.70 0.00 0.00 1.25 1.57 -0.59 0.34 116.57 118.43 1xls h LYS 205 Ca -0.03 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.55 1xls h LYS 205 Cb 0.49 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.77 1xls h LYS 205 CO 0.05 0.00 -1.21 0.78 -0.57 0.00 0.00 179.45 178.50 1xls h GLY 206 N 0.00 0.00 0.00 3.86 0.00 -1.18 -3.41 103.07 102.34 1xls h GLY 206 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.47 1xls h GLY 206 CO -0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 1xls n ALA 207 N -2.40 1.47 0.09 3.60 0.00 0.16 -4.76 120.51 118.67 1xls n ALA 207 Ca -0.07 -0.39 -0.13 0.00 0.00 0.00 0.00 53.44 52.86 1xls n ALA 207 Cb 0.91 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.31 1xls n ALA 207 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xls h ALA 208 N 0.00 -0.51 -0.65 0.00 0.00 -0.54 0.18 119.26 117.74 1xls h ALA 208 Ca 0.00 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.90 1xls h ALA 208 Cb 0.31 0.54 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 1xls h ALA 208 CO 0.00 -0.85 0.40 0.28 0.00 0.00 0.00 179.25 179.08 1xls h VAL 209 N -0.51 1.08 -0.68 0.00 2.07 -1.88 -1.05 116.25 115.28 1xls h VAL 209 Ca 0.04 -0.27 0.01 0.00 0.82 0.00 0.00 66.70 67.31 1xls h VAL 209 Cb 0.57 0.23 -0.04 0.00 -1.52 0.00 0.00 31.29 30.53 1xls h VAL 209 CO -0.22 0.14 0.44 -0.33 0.02 0.00 0.00 177.57 177.62 1xls h GLU 210 N 0.78 0.86 -0.27 1.57 5.08 -1.69 -1.37 114.58 119.54 1xls h GLU 210 Ca 0.26 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.48 1xls h GLU 210 Cb 0.02 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 1xls h GLU 210 CO -0.11 0.57 -0.19 0.82 -1.00 0.00 0.00 179.01 179.10 1xls h ILE 211 N 0.89 1.25 0.01 3.13 2.04 -0.29 -2.68 117.51 121.86 1xls h ILE 211 Ca 0.25 -1.15 0.01 0.00 1.00 0.00 0.00 64.86 64.98 1xls h ILE 211 Cb -0.07 1.25 -0.02 0.00 -0.74 0.00 0.00 36.82 37.24 1xls h ILE 211 CO -0.07 0.37 -0.09 0.25 0.00 0.00 0.00 178.15 178.61 1xls h LEU 212 N 0.45 -0.27 -0.77 1.44 6.46 -0.11 -1.30 115.31 121.21 1xls h LEU 212 Ca 0.07 0.04 -0.08 0.00 -0.12 0.00 0.00 57.88 57.79 1xls h LEU 212 Cb 0.59 0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 40.61 1xls h LEU 212 CO 0.04 -0.14 0.05 0.45 -0.62 0.00 0.00 178.44 178.22 1xls h HIS 213 N -0.17 1.05 -0.50 1.25 3.86 -1.30 0.62 115.15 119.97 1xls h HIS 213 Ca 0.03 -0.15 -0.02 0.00 -1.16 0.00 0.00 60.37 59.08 1xls h HIS 213 Cb 0.21 -0.29 -0.02 0.00 1.06 0.00 0.00 27.41 28.37 1xls h HIS 213 CO -0.15 0.91 0.25 0.82 0.86 0.00 0.00 177.93 180.61 1xls h ILE 214 N 0.91 1.16 0.20 2.45 2.04 -1.19 -0.44 117.51 122.65 1xls h ILE 214 Ca 0.18 -0.45 -0.34 0.00 1.00 0.00 0.00 64.86 65.25 1xls h ILE 214 Cb 0.46 0.52 0.02 0.00 -0.74 0.00 0.00 36.82 37.08 1xls h ILE 214 CO 0.02 0.19 -1.59 0.77 0.00 0.00 0.00 178.15 177.53 1xls h SER 215 N 0.69 0.66 0.02 1.72 4.64 -0.79 -3.31 113.55 117.19 1xls h SER 215 Ca 0.18 -0.84 -0.02 0.00 -0.47 0.00 0.00 61.79 60.64 1xls h SER 215 Cb 0.06 -0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 61.93 1xls h SER 215 CO -0.02 1.69 -0.04 0.25 -0.87 0.00 0.00 176.83 177.83 1xls h LEU 216 N 0.12 0.06 -1.96 5.97 5.85 0.60 -2.80 115.31 123.15 1xls h LEU 216 Ca -0.29 -0.01 0.14 0.00 0.84 0.00 0.00 57.88 58.57 1xls h LEU 216 Cb 2.11 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 43.10 1xls h LEU 216 CO 0.22 0.12 0.48 -1.13 -0.34 0.00 0.00 178.44 177.78 1xls h ASN 217 N 0.07 0.00 0.49 1.25 -0.73 -1.18 -1.34 115.58 114.15 1xls h ASN 217 Ca 0.02 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.19 1xls h ASN 217 Cb 0.13 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.72 1xls h ASN 217 CO 0.01 0.00 0.00 0.35 -0.37 0.00 0.00 177.43 177.42 1xls n THR 218 N -3.81 0.93 0.88 -3.57 -2.24 -1.06 -1.94 114.28 103.48 1xls n THR 218 Ca 0.09 0.39 0.10 0.00 -2.27 0.00 0.00 64.05 62.36 1xls n THR 218 Cb 0.67 -1.33 -0.10 0.00 -2.10 0.00 0.00 70.33 67.47 1xls n THR 218 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1xls n THR 219 N -2.19 0.00 -2.43 4.28 -2.24 -0.50 -4.95 114.28 106.25 1xls n THR 219 Ca 0.01 -0.06 -0.41 0.00 -2.27 0.00 0.00 64.05 61.32 1xls n THR 219 Cb 0.16 0.84 -0.03 0.00 -2.10 0.00 0.00 70.33 69.20 1xls n THR 219 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1xls s PHE 220 N -3.06 3.49 -0.15 4.78 5.36 -0.82 -0.30 117.98 127.28 1xls s PHE 220 Ca 0.06 1.45 0.00 0.00 -0.96 0.00 0.00 56.93 57.49 1xls s PHE 220 Cb 0.16 -3.37 -0.00 0.00 -0.34 0.00 0.00 43.02 39.46 1xls s PHE 220 CO 0.86 -1.02 -0.16 0.00 -1.46 0.00 0.00 175.22 173.45 1xls h LEU 222 N 7.25 0.66 -1.98 0.00 3.38 -1.95 1.31 115.31 123.98 1xls h LEU 222 Ca -0.32 -0.37 0.10 0.00 0.09 0.00 0.00 57.88 57.38 1xls h LEU 222 Cb 1.19 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 1xls h LEU 222 CO 0.56 0.88 0.25 -0.61 0.09 0.00 0.00 178.44 179.62 1xls h GLN 223 N 0.43 0.03 0.00 1.13 4.15 -1.98 -3.12 115.11 115.75 1xls h GLN 223 Ca 0.08 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.50 1xls h GLN 223 Cb 0.60 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.28 1xls h GLN 223 CO 0.04 0.02 -0.31 0.25 -1.93 0.00 0.00 178.83 176.89 1xls n THR 224 N -4.44 0.00 -1.96 2.39 -2.24 -1.17 -5.00 114.28 101.86 1xls n THR 224 Ca 0.05 -0.36 -0.19 0.00 -2.27 0.00 0.00 64.05 61.29 1xls n THR 224 Cb 0.41 0.87 -0.04 0.00 -2.10 0.00 0.00 70.33 69.47 1xls n THR 224 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1xls n GLU 225 N -1.16 -1.39 -4.08 -0.78 1.02 0.45 -4.98 120.64 109.71 1xls n GLU 225 Ca 0.00 1.03 -0.25 0.00 -0.02 0.00 0.00 57.16 57.92 1xls n GLU 225 Cb 0.03 -5.44 -0.05 0.00 -0.02 0.00 0.00 31.44 25.96 1xls n GLU 225 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1xls s ASN 226 N -2.47 5.58 -0.24 1.62 0.02 -1.15 -4.70 114.94 113.61 1xls s ASN 226 Ca 0.00 -0.15 -0.10 0.00 -1.02 0.00 0.00 52.86 51.59 1xls s ASN 226 Cb 0.00 -1.46 -0.05 0.00 0.02 0.00 0.00 41.25 39.76 1xls s ASN 226 CO 0.00 0.03 0.15 -0.36 0.02 0.00 0.00 177.10 176.93 1xls s PHE 227 N -1.89 3.29 -0.38 2.20 0.40 0.47 -0.81 117.98 121.26 1xls s PHE 227 Ca 0.32 0.16 -0.03 0.00 -0.60 0.00 0.00 56.93 56.78 1xls s PHE 227 Cb -0.09 -2.25 0.09 0.00 0.51 0.00 0.00 43.02 41.27 1xls s PHE 227 CO 0.24 0.04 0.15 -0.06 0.70 0.00 0.00 175.22 176.29 1xls s PHE 228 N 1.05 3.48 -0.34 0.36 0.40 0.59 0.14 117.98 123.66 1xls s PHE 228 Ca 0.07 -2.19 0.01 0.00 -0.60 0.00 0.00 56.93 54.22 1xls s PHE 228 Cb -0.14 -2.88 0.09 0.00 0.51 0.00 0.00 43.02 40.61 1xls s PHE 228 CO 0.04 -0.91 0.06 0.00 0.70 0.00 0.00 175.22 175.11 1xls n GLY 230 N 4.42 2.90 0.00 0.00 0.00 -1.26 -1.35 105.19 109.89 1xls n GLY 230 Ca -0.03 -0.32 0.04 0.00 0.00 0.00 0.00 46.02 45.71 1xls n GLY 230 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1xls n PRO 231 N 14.00 0.00 -3.53 1.61 -0.02 -1.26 -4.78 135.00 141.02 1xls n PRO 231 Ca 0.00 0.37 -0.27 0.00 -2.02 0.00 0.00 63.50 61.57 1xls n PRO 231 Cb 0.00 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 31.95 1xls n PRO 231 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1xls s LEU 232 N -3.00 4.14 -0.23 2.45 1.43 -0.46 -4.53 118.68 118.47 1xls s LEU 232 Ca 0.04 0.51 -0.03 0.00 -1.03 0.00 0.00 54.13 53.62 1xls s LEU 232 Cb 0.05 -3.31 0.08 0.00 0.03 0.00 0.00 46.19 43.03 1xls s LEU 232 CO 0.14 -0.13 0.09 0.00 0.23 0.00 0.00 176.35 176.68 1xls s TYR 234 N 1.97 3.24 0.35 0.00 1.51 0.12 -4.82 117.35 119.71 1xls s TYR 234 Ca 0.04 0.49 0.07 0.00 -1.01 0.00 0.00 57.07 56.66 1xls s TYR 234 Cb -0.16 -2.76 -0.01 0.00 -0.11 0.00 0.00 41.96 38.91 1xls s TYR 234 CO -0.18 -0.34 0.43 0.15 -1.11 0.00 0.00 175.55 174.49 1xls s LYS 235 N 2.31 2.96 0.27 -0.62 1.02 -1.26 -0.40 119.74 124.02 1xls s LYS 235 Ca 0.20 -1.13 0.01 0.00 0.02 0.00 0.00 55.97 55.07 1xls s LYS 235 Cb -0.16 -2.70 0.36 0.00 -0.52 0.00 0.00 37.83 34.82 1xls s LYS 235 CO 0.10 0.03 1.71 0.52 -0.92 0.00 0.00 175.35 176.80 1xls h MET 236 N 0.98 0.57 -0.35 1.68 2.86 -1.97 -3.08 114.93 115.61 1xls h MET 236 Ca -0.45 -0.21 0.08 0.00 -2.06 0.00 0.00 59.70 57.06 1xls h MET 236 Cb 1.26 -0.04 -0.09 0.00 0.06 0.00 0.00 31.60 32.79 1xls h MET 236 CO 0.54 0.75 -0.29 0.93 1.06 0.00 0.00 176.91 179.89 1xls h GLU 237 N 0.51 -0.24 -0.88 1.72 3.07 -2.00 -1.65 114.58 115.12 1xls h GLU 237 Ca 0.08 0.02 0.21 0.00 -0.50 0.00 0.00 59.36 59.16 1xls h GLU 237 Cb 0.65 0.05 -0.16 0.00 -0.84 0.00 0.00 28.75 28.46 1xls h GLU 237 CO 0.05 -0.16 -0.03 -0.44 -1.40 0.00 0.00 179.01 177.03 1xls h ASP 238 N -0.25 -0.50 -0.37 1.42 3.32 -1.95 0.39 116.42 118.48 1xls h ASP 238 Ca 0.17 0.24 -0.02 0.00 0.02 0.00 0.00 57.03 57.44 1xls h ASP 238 Cb 0.51 0.44 -0.02 0.00 0.22 0.00 0.00 39.33 40.49 1xls h ASP 238 CO -0.49 -0.27 0.15 0.00 -1.72 0.00 0.00 179.24 176.91 1xls h ALA 239 N 1.85 0.49 -0.34 3.45 0.00 -1.41 0.21 119.26 123.52 1xls h ALA 239 Ca 0.49 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 1xls h ALA 239 Cb 0.90 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1xls h ALA 239 CO -0.82 0.09 0.11 -0.39 0.00 0.00 0.00 179.25 178.25 1xls h VAL 240 N 0.46 1.20 -0.51 0.00 -1.51 -0.49 -1.88 116.25 113.52 1xls h VAL 240 Ca 0.12 -0.64 0.00 0.00 -1.23 0.00 0.00 66.70 64.95 1xls h VAL 240 Cb 0.19 0.99 -0.03 0.00 -2.13 0.00 0.00 31.29 30.32 1xls h VAL 240 CO -0.01 0.22 0.33 -0.74 -1.23 0.00 0.00 177.57 176.14 1xls h HIS 241 N 0.39 0.64 0.00 5.19 6.17 -0.21 0.23 115.15 127.57 1xls h HIS 241 Ca 0.11 0.01 -0.01 0.00 0.71 0.00 0.00 60.37 61.19 1xls h HIS 241 Cb 0.23 -0.22 -0.00 0.00 2.52 0.00 0.00 27.41 29.94 1xls h HIS 241 CO 0.00 0.41 -0.04 0.00 0.71 0.00 0.00 177.93 179.01 1xls h ALA 242 N 1.67 1.04 0.00 5.26 0.00 0.19 -3.47 119.26 123.96 1xls h ALA 242 Ca 0.19 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1xls h ALA 242 Cb -0.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1xls h ALA 242 CO -0.04 0.05 0.00 0.41 0.00 0.00 0.00 179.25 179.68 1xls n GLY 243 N -0.28 1.82 3.74 0.00 0.00 0.79 -4.72 105.19 106.54 1xls n GLY 243 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1xls n GLY 243 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xls s PHE 244 N -1.99 2.31 0.32 1.61 0.40 -0.95 -4.96 117.98 114.72 1xls s PHE 244 Ca 0.00 1.60 -0.29 0.00 -0.60 0.00 0.00 56.93 57.64 1xls s PHE 244 Cb 0.00 -3.25 -0.10 0.00 0.51 0.00 0.00 43.02 40.18 1xls s PHE 244 CO 0.00 -2.12 1.37 -0.65 0.70 0.00 0.00 175.22 174.52 1xls s GLN 245 N -4.29 4.29 0.11 0.44 -0.21 -1.26 -4.46 119.66 114.27 1xls s GLN 245 Ca 0.68 2.31 -0.17 0.00 0.02 0.00 0.00 55.36 58.19 1xls s GLN 245 Cb -0.22 -3.06 -0.04 0.00 1.00 0.00 0.00 33.01 30.68 1xls s GLN 245 CO 0.48 -0.31 1.63 -0.92 -2.12 0.00 0.00 175.29 174.05 1xls h TYR 246 N 3.65 0.51 -0.34 0.91 3.20 -1.96 -1.21 116.97 121.71 1xls h TYR 246 Ca -0.49 -0.05 0.06 0.00 3.14 0.00 0.00 58.73 61.39 1xls h TYR 246 Cb 1.23 -0.15 -0.05 0.00 1.54 0.00 0.00 36.73 39.30 1xls h TYR 246 CO 0.56 0.52 -0.00 0.93 -1.64 0.00 0.00 178.16 178.53 1xls h GLU 247 N 0.35 0.09 0.17 1.82 4.39 -1.98 0.26 114.58 119.68 1xls h GLU 247 Ca 0.10 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.79 1xls h GLU 247 Cb 0.25 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 1xls h GLU 247 CO -0.00 0.06 -0.13 0.35 -1.16 0.00 0.00 179.01 178.13 1xls h PHE 248 N 0.10 -0.34 -1.00 4.33 3.57 -1.92 -1.53 116.94 120.15 1xls h PHE 248 Ca 0.17 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.70 1xls h PHE 248 Cb 0.23 0.13 -0.06 0.00 2.79 0.00 0.00 35.95 39.03 1xls h PHE 248 CO -0.24 -0.20 0.66 -0.07 -2.23 0.00 0.00 178.31 176.22 1xls h LEU 249 N -0.31 1.10 -1.18 0.59 -0.00 -0.79 -1.54 115.31 113.18 1xls h LEU 249 Ca -0.01 -0.01 -0.03 0.00 -0.00 0.00 0.00 57.88 57.83 1xls h LEU 249 Cb 0.28 -0.25 -0.03 0.00 -0.00 0.00 0.00 40.66 40.66 1xls h LEU 249 CO -0.01 0.75 0.20 -0.08 -0.00 0.00 0.00 178.44 179.30 1xls h GLU 250 N 1.27 0.77 0.00 1.13 4.81 -0.13 0.11 114.58 122.55 1xls h GLU 250 Ca 0.40 -0.12 -0.08 0.00 -0.13 0.00 0.00 59.36 59.43 1xls h GLU 250 Cb -0.01 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 1xls h GLU 250 CO -0.12 0.65 -0.36 0.66 -0.73 0.00 0.00 179.01 179.10 1xls h SER 251 N 0.76 0.00 0.01 1.04 4.64 -0.32 -2.05 113.55 117.63 1xls h SER 251 Ca 0.18 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.36 1xls h SER 251 Cb 0.17 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.28 1xls h SER 251 CO -0.01 0.36 -0.54 0.40 -0.87 0.00 0.00 176.83 176.16 1xls h ILE 252 N 0.00 1.47 -0.07 0.95 2.04 -0.34 -2.55 117.51 118.99 1xls h ILE 252 Ca -0.00 -2.10 -0.01 0.00 1.00 0.00 0.00 64.86 63.74 1xls h ILE 252 Cb 0.76 2.71 -0.01 0.00 -0.74 0.00 0.00 36.82 39.55 1xls h ILE 252 CO 0.05 0.60 -0.02 0.25 0.00 0.00 0.00 178.15 179.03 1xls h LEU 253 N -0.23 0.09 0.13 1.44 5.85 -0.76 -1.87 115.31 119.96 1xls h LEU 253 Ca -0.07 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 1xls h LEU 253 Cb 1.28 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.29 1xls h LEU 253 CO 0.11 0.13 -0.06 0.45 -0.34 0.00 0.00 178.44 178.73 1xls h HIS 254 N 0.10 -0.16 -0.39 1.25 3.86 -1.35 -0.67 115.15 117.80 1xls h HIS 254 Ca 0.03 -0.00 0.08 0.00 -1.16 0.00 0.00 60.37 59.31 1xls h HIS 254 Cb 0.10 0.05 -0.07 0.00 1.06 0.00 0.00 27.41 28.55 1xls h HIS 254 CO 0.00 0.13 -0.07 0.35 0.86 0.00 0.00 177.93 179.20 1xls h PHE 255 N -0.45 -0.15 -0.70 2.45 3.57 -0.96 -0.76 116.94 119.93 1xls h PHE 255 Ca -0.02 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.46 1xls h PHE 255 Cb 0.36 0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.20 1xls h PHE 255 CO 0.02 -0.14 0.24 0.45 -2.23 0.00 0.00 178.31 176.64 1xls h HIS 256 N 0.03 1.12 -0.74 0.41 3.86 -1.28 -0.49 115.15 118.05 1xls h HIS 256 Ca 0.19 -0.10 -0.04 0.00 -1.16 0.00 0.00 60.37 59.26 1xls h HIS 256 Cb 0.28 -0.33 -0.03 0.00 1.06 0.00 0.00 27.41 28.39 1xls h HIS 256 CO -0.32 0.88 0.31 0.87 0.86 0.00 0.00 177.93 180.53 1xls h LYS 257 N 1.03 1.10 0.32 2.45 1.57 -0.55 -0.31 116.57 122.18 1xls h LYS 257 Ca 0.23 -0.19 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1xls h LYS 257 Cb 0.27 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1xls h LYS 257 CO -0.01 0.89 -0.16 -0.91 -0.57 0.00 0.00 179.45 178.69 1xls h ASN 258 N 1.06 -0.37 -1.05 0.86 -0.26 -0.82 -1.77 115.58 113.23 1xls h ASN 258 Ca 0.25 0.01 0.27 0.00 -0.56 0.00 0.00 56.30 56.28 1xls h ASN 258 Cb 0.19 0.10 -0.10 0.00 -1.06 0.00 0.00 38.32 37.44 1xls h ASN 258 CO -0.02 -0.24 0.67 0.25 -1.06 0.00 0.00 177.43 177.02 1xls h LEU 259 N -0.48 0.46 -0.71 1.61 5.85 -1.09 0.50 115.31 121.46 1xls h LEU 259 Ca -0.04 0.09 -0.07 0.00 0.84 0.00 0.00 57.88 58.70 1xls h LEU 259 Cb 0.33 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 1xls h LEU 259 CO 0.07 0.07 -0.34 0.50 -0.34 0.00 0.00 178.44 178.40 1xls h LYS 260 N 0.40 0.00 -0.04 1.25 1.63 -0.99 -3.00 116.57 115.82 1xls h LYS 260 Ca 0.62 0.00 -0.11 0.00 -0.85 0.00 0.00 60.65 60.31 1xls h LYS 260 Cb 1.54 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 33.15 1xls h LYS 260 CO -0.33 0.34 -0.49 0.78 -3.45 0.00 0.00 179.45 176.30 1xls h GLY 261 N 2.54 0.10 1.67 5.01 0.00 0.93 -2.93 103.07 110.39 1xls h GLY 261 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.22 1xls h GLY 261 CO 0.04 0.10 0.00 1.04 0.00 0.00 0.00 176.54 177.72 1xls n LEU 262 N -3.95 0.00 -3.94 3.11 4.77 -1.08 -4.91 117.00 110.99 1xls n LEU 262 Ca -0.02 0.34 -0.37 0.00 -0.03 0.00 0.00 56.01 55.93 1xls n LEU 262 Cb 0.52 -0.34 0.01 0.00 -2.33 0.00 0.00 43.42 41.29 1xls n LEU 262 CO 0.41 -0.17 -0.17 1.41 -1.33 0.00 0.00 177.39 177.54 1xls n HIS 263 N -1.34 -1.59 -1.53 -1.77 8.25 -1.11 -4.93 115.22 111.21 1xls n HIS 263 Ca 0.06 0.33 -0.31 0.00 -0.26 0.00 0.00 57.72 57.54 1xls n HIS 263 Cb 0.13 -3.14 0.06 0.00 1.12 0.00 0.00 29.99 28.17 1xls n HIS 263 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1xls s LEU 264 N -7.05 3.16 0.26 2.41 1.43 -1.26 -5.07 118.68 112.55 1xls s LEU 264 Ca 0.38 1.74 0.05 0.00 -1.03 0.00 0.00 54.13 55.27 1xls s LEU 264 Cb -0.18 -4.51 -0.03 0.00 0.03 0.00 0.00 46.19 41.50 1xls s LEU 264 CO 0.93 -1.64 0.38 -1.10 0.23 0.00 0.00 176.35 175.15 1xls s GLN 265 N -4.82 3.40 0.31 1.70 -0.21 -1.26 -4.93 119.66 113.85 1xls s GLN 265 Ca 0.60 -0.78 0.08 0.00 0.02 0.00 0.00 55.36 55.28 1xls s GLN 265 Cb -0.16 -2.87 0.81 0.00 1.00 0.00 0.00 33.01 31.79 1xls s GLN 265 CO 0.52 0.37 1.75 1.49 -2.12 0.00 0.00 175.29 177.30 1xls h GLU 266 N 1.12 0.62 -0.10 2.91 4.81 -1.99 -0.05 114.58 121.91 1xls h GLU 266 Ca -0.51 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 58.58 1xls h GLU 266 Cb 1.23 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.46 1xls h GLU 266 CO 0.60 0.41 -0.41 -1.35 -0.73 0.00 0.00 179.01 177.53 1xls h PRO 267 N 0.64 0.21 0.02 0.92 0.11 -1.99 -2.65 132.00 129.27 1xls h PRO 267 Ca 0.61 -0.10 -0.21 0.00 0.11 0.00 0.00 66.00 66.41 1xls h PRO 267 Cb 1.08 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 1xls h PRO 267 CO -0.44 0.59 -0.99 0.93 -0.21 0.00 0.00 178.00 177.88 1xls h GLU 268 N 0.18 0.06 0.44 1.05 5.08 -1.47 -1.46 114.58 118.46 1xls h GLU 268 Ca 0.02 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 1xls h GLU 268 Cb 0.80 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.09 1xls h GLU 268 CO 0.06 0.99 -0.21 1.88 -1.00 0.00 0.00 179.01 180.73 1xls h TYR 269 N 0.02 -0.55 -0.14 4.33 0.05 -0.98 0.39 116.97 120.08 1xls h TYR 269 Ca -0.03 -0.01 -0.04 0.00 0.05 0.00 0.00 58.73 58.70 1xls h TYR 269 Cb 1.71 0.18 -0.01 0.00 1.01 0.00 0.00 36.73 39.63 1xls h TYR 269 CO 0.01 -0.23 -0.09 -0.24 -1.05 0.00 0.00 178.16 176.56 1xls h VAL 270 N -0.88 1.15 -0.50 -2.88 3.04 -1.57 -0.85 116.25 113.77 1xls h VAL 270 Ca -0.06 -0.65 -0.10 0.00 -1.01 0.00 0.00 66.70 64.87 1xls h VAL 270 Cb 0.57 1.15 -0.02 0.00 -2.01 0.00 0.00 31.29 30.98 1xls h VAL 270 CO 0.10 0.21 -0.10 -0.07 -1.01 0.00 0.00 177.57 176.69 1xls h LEU 271 N 0.21 0.91 -0.91 3.16 3.38 -1.15 -1.37 115.31 119.54 1xls h LEU 271 Ca 0.05 -0.29 -0.11 0.00 0.09 0.00 0.00 57.88 57.62 1xls h LEU 271 Cb 0.30 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1xls h LEU 271 CO 0.02 1.03 -0.47 -0.03 0.09 0.00 0.00 178.44 179.07 1xls h MET 272 N 0.82 0.16 -0.07 1.13 4.05 -0.11 -2.52 114.93 118.40 1xls h MET 272 Ca 0.13 -0.09 -0.02 0.00 -0.28 0.00 0.00 59.70 59.45 1xls h MET 272 Cb 0.63 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.43 1xls h MET 272 CO 0.04 0.60 -0.02 0.00 0.23 0.00 0.00 176.91 177.77 1xls h ALA 273 N 1.38 0.10 0.00 0.39 0.00 -0.76 -2.97 119.26 117.41 1xls h ALA 273 Ca 0.01 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 1xls h ALA 273 Cb 0.89 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 1xls h ALA 273 CO 0.07 -0.18 -0.16 0.00 0.00 0.00 0.00 179.25 178.98 1xls h ALA 274 N 0.66 1.57 0.00 0.00 0.00 -1.22 -0.74 119.26 119.54 1xls h ALA 274 Ca 0.02 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 1xls h ALA 274 Cb 0.43 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1xls h ALA 274 CO 0.01 0.20 -0.44 1.15 0.00 0.00 0.00 179.25 180.18 1xls h THR 275 N 0.00 1.16 0.17 0.00 2.02 -1.36 -2.24 112.91 112.66 1xls h THR 275 Ca -0.00 -1.57 -0.32 0.00 0.77 0.00 0.00 66.41 65.29 1xls h THR 275 Cb 0.32 1.89 0.01 0.00 -1.74 0.00 0.00 68.15 68.63 1xls h THR 275 CO 0.02 0.43 -1.50 0.00 0.37 0.00 0.00 175.52 174.84 1xls h ALA 276 N 1.56 0.10 0.38 6.16 0.00 -1.15 -3.36 119.26 122.96 1xls h ALA 276 Ca -0.00 -1.01 -0.01 0.00 0.00 0.00 0.00 54.91 53.89 1xls h ALA 276 Cb 0.85 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1xls h ALA 276 CO 0.06 0.97 -0.27 1.25 0.00 0.00 0.00 179.25 181.26 1xls h LEU 277 N 0.10 -0.70 -6.75 0.00 6.46 -0.97 -3.29 115.31 110.15 1xls h LEU 277 Ca -0.24 0.05 -0.73 0.00 -0.12 0.00 0.00 57.88 56.83 1xls h LEU 277 Cb 2.06 0.22 -0.12 0.00 -0.73 0.00 0.00 40.66 42.09 1xls h LEU 277 CO 0.20 -0.42 2.19 0.49 -0.62 0.00 0.00 178.44 180.29 1xls n PHE 278 N -5.40 3.69 -4.66 1.25 3.01 -0.86 -4.83 117.46 109.66 1xls n PHE 278 Ca -0.10 -2.95 -0.33 0.00 1.01 0.00 0.00 57.45 55.08 1xls n PHE 278 Cb 0.30 -2.23 -0.16 0.00 -0.01 0.00 0.00 39.48 37.39 1xls n PHE 278 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 1xls s SER 279 N 2.21 3.43 0.10 4.37 0.01 -1.24 -4.04 113.70 118.54 1xls s SER 279 Ca 0.44 -0.52 -0.17 0.00 1.31 0.00 0.00 55.95 57.01 1xls s SER 279 Cb 0.08 -1.51 -0.06 0.00 0.21 0.00 0.00 66.02 64.73 1xls s SER 279 CO -0.01 0.09 1.53 -0.65 0.41 0.00 0.00 173.24 174.62 1xls h PRO 280 N 7.22 0.53 0.00 12.44 0.11 -1.89 -3.12 132.00 147.29 1xls h PRO 280 Ca -0.31 -0.17 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1xls h PRO 280 Cb 1.20 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1xls h PRO 280 CO 0.55 0.68 0.00 -0.40 -0.21 0.00 0.00 178.00 178.63 1xls n ASP 281 N -4.56 0.17 -4.68 -2.05 5.75 -1.26 -4.66 116.55 105.27 1xls n ASP 281 Ca -0.03 0.58 -0.48 0.00 -0.01 0.00 0.00 54.79 54.85 1xls n ASP 281 Cb 0.27 -0.60 -0.05 0.00 -1.03 0.00 0.00 41.12 39.70 1xls n ASP 281 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 1xls n ARG 282 N -1.74 2.14 -1.23 0.11 3.00 -1.18 -4.89 116.66 112.87 1xls n ARG 282 Ca -0.00 0.78 -0.34 0.00 -0.00 0.00 0.00 57.85 58.29 1xls n ARG 282 Cb 0.01 -2.61 0.11 0.00 0.00 0.00 0.00 32.46 29.97 1xls n ARG 282 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 1xls n PRO 283 N 6.00 0.37 0.00 -0.14 -0.04 -1.26 -3.33 135.00 136.59 1xls n PRO 283 Ca 0.22 0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.87 1xls n PRO 283 Cb 0.29 -2.41 0.00 0.00 -0.04 0.00 0.00 33.50 31.34 1xls n PRO 283 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1xls n GLY 284 N 0.70 3.23 3.72 0.55 0.00 -1.26 -4.81 105.19 107.33 1xls n GLY 284 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 1xls n GLY 284 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xls s VAL 285 N -2.00 2.04 0.12 1.61 -7.23 -1.21 -4.87 120.40 108.86 1xls s VAL 285 Ca 0.00 0.01 0.00 0.00 -1.81 0.00 0.00 61.98 60.18 1xls s VAL 285 Cb 0.00 -2.62 0.00 0.00 0.56 0.00 0.00 36.38 34.32 1xls s VAL 285 CO 0.00 -0.02 0.00 0.35 -0.31 0.00 0.00 175.10 175.12 1xls n THR 286 N -4.00 0.16 -0.71 5.32 -2.24 -1.26 -4.86 114.28 106.68 1xls n THR 286 Ca 0.06 0.05 -0.21 0.00 -2.27 0.00 0.00 64.05 61.68 1xls n THR 286 Cb 0.58 -0.76 -0.02 0.00 -2.10 0.00 0.00 70.33 68.03 1xls n THR 286 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xls n GLN 287 N -3.06 2.01 0.10 -0.78 1.13 -1.26 -4.58 117.38 110.94 1xls n GLN 287 Ca 0.00 -1.41 -0.13 0.00 -1.94 0.00 0.00 57.00 53.52 1xls n GLN 287 Cb 0.06 -2.42 -0.06 0.00 0.11 0.00 0.00 30.24 27.93 1xls n GLN 287 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 1xls h ARG 288 N 6.32 -0.28 -0.74 -1.09 2.43 -1.93 0.15 114.38 119.23 1xls h ARG 288 Ca 0.47 0.02 0.08 0.00 -0.81 0.00 0.00 59.98 59.74 1xls h ARG 288 Cb 0.17 0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 29.72 1xls h ARG 288 CO 1.41 -0.19 0.42 1.49 -1.51 0.00 0.00 179.97 181.59 1xls h GLU 289 N -0.29 0.71 -0.33 0.20 4.81 -1.99 0.74 114.58 118.43 1xls h GLU 289 Ca 0.01 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1xls h GLU 289 Cb 0.29 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 1xls h GLU 289 CO -0.05 0.47 0.20 1.49 -0.73 0.00 0.00 179.01 180.39 1xls h GLU 290 N 0.73 0.44 -0.11 1.92 4.81 -1.76 -2.67 114.58 117.95 1xls h GLU 290 Ca 0.35 -0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 59.41 1xls h GLU 290 Cb 0.27 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.56 1xls h GLU 290 CO -0.22 0.33 -0.42 0.82 -0.73 0.00 0.00 179.01 178.79 1xls h ILE 291 N 0.43 1.38 -1.01 2.32 2.04 -0.04 -3.20 117.51 119.42 1xls h ILE 291 Ca 0.12 -1.75 0.25 0.00 1.00 0.00 0.00 64.86 64.48 1xls h ILE 291 Cb -0.00 2.17 -0.12 0.00 -0.74 0.00 0.00 36.82 38.13 1xls h ILE 291 CO -0.02 0.52 0.61 -0.78 0.00 0.00 0.00 178.15 178.48 1xls h ASP 292 N 0.07 0.64 -0.36 1.72 -0.00 0.54 0.35 116.42 119.38 1xls h ASP 292 Ca -0.02 0.12 0.04 0.00 -0.00 0.00 0.00 57.03 57.17 1xls h ASP 292 Cb 1.06 0.02 -0.04 0.00 -0.00 0.00 0.00 39.33 40.37 1xls h ASP 292 CO 0.09 0.12 0.14 1.56 -0.00 0.00 0.00 179.24 181.14 1xls h GLN 293 N 0.56 0.29 -0.76 0.28 1.08 -1.47 -1.24 115.11 113.86 1xls h GLN 293 Ca 0.63 -0.02 0.07 0.00 -1.45 0.00 0.00 58.65 57.88 1xls h GLN 293 Cb 1.25 -0.07 -0.06 0.00 -0.05 0.00 0.00 27.48 28.56 1xls h GLN 293 CO -0.43 0.19 0.44 -0.07 -0.95 0.00 0.00 178.83 178.01 1xls h LEU 294 N 0.30 0.65 0.53 1.46 -0.00 -0.40 -0.69 115.31 117.16 1xls h LEU 294 Ca 0.16 0.03 -0.03 0.00 -0.00 0.00 0.00 57.88 58.05 1xls h LEU 294 Cb 0.11 -0.09 0.01 0.00 -0.00 0.00 0.00 40.66 40.69 1xls h LEU 294 CO -0.15 0.40 -0.25 -0.61 -0.00 0.00 0.00 178.44 177.83 1xls h GLN 295 N 0.78 -0.69 -0.86 1.13 4.15 -0.93 0.23 115.11 118.91 1xls h GLN 295 Ca 0.35 0.05 0.16 0.00 0.77 0.00 0.00 58.65 59.97 1xls h GLN 295 Cb 0.24 0.16 -0.07 0.00 0.21 0.00 0.00 27.48 28.02 1xls h GLN 295 CO -0.20 -0.38 0.56 1.49 -1.93 0.00 0.00 178.83 178.37 1xls h GLU 296 N -0.99 0.55 -0.32 1.69 4.81 -1.12 0.57 114.58 119.78 1xls h GLU 296 Ca -0.07 -0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 59.01 1xls h GLU 296 Cb 0.62 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 1xls h GLU 296 CO 0.12 0.37 -0.23 1.49 -0.73 0.00 0.00 179.01 180.03 1xls h GLU 297 N 0.57 0.72 -0.77 1.92 4.81 -1.01 -2.05 114.58 118.77 1xls h GLU 297 Ca 0.44 -0.35 -0.04 0.00 -0.13 0.00 0.00 59.36 59.29 1xls h GLU 297 Cb 0.85 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.19 1xls h GLU 297 CO -0.19 0.96 0.34 1.98 -0.73 0.00 0.00 179.01 181.37 1xls h MET 298 N 0.49 1.13 0.33 1.92 4.05 0.31 -2.76 114.93 120.41 1xls h MET 298 Ca 0.06 -0.18 -0.02 0.00 -0.28 0.00 0.00 59.70 59.29 1xls h MET 298 Cb 0.78 -0.20 0.00 0.00 -0.80 0.00 0.00 31.60 31.39 1xls h MET 298 CO 0.06 0.89 -0.16 0.00 0.23 0.00 0.00 176.91 177.93 1xls h ALA 299 N 1.26 -0.45 -0.79 0.39 0.00 -0.01 -2.44 119.26 117.22 1xls h ALA 299 Ca 0.26 -0.19 0.14 0.00 0.00 0.00 0.00 54.91 55.12 1xls h ALA 299 Cb 0.16 0.17 -0.14 0.00 0.00 0.00 0.00 17.79 17.98 1xls h ALA 299 CO -0.03 -0.55 -0.32 -0.07 0.00 0.00 0.00 179.25 178.28 1xls h LEU 300 N -0.86 -1.16 -0.59 0.00 3.38 -1.34 0.24 115.31 114.98 1xls h LEU 300 Ca -0.05 0.26 0.05 0.00 0.09 0.00 0.00 57.88 58.24 1xls h LEU 300 Cb 0.53 0.62 -0.05 0.00 0.09 0.00 0.00 40.66 41.85 1xls h LEU 300 CO 0.08 -0.29 0.31 0.40 0.09 0.00 0.00 178.44 179.02 1xls h ILE 301 N -0.07 0.95 -0.05 1.22 2.04 -1.52 0.31 117.51 120.38 1xls h ILE 301 Ca 0.31 -0.20 0.01 0.00 1.00 0.00 0.00 64.86 65.98 1xls h ILE 301 Cb 0.58 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 1xls h ILE 301 CO -0.83 0.11 0.00 0.25 0.00 0.00 0.00 178.15 177.68 1xls h LEU 302 N 0.58 -0.01 0.11 1.44 7.12 -0.16 0.43 115.31 124.82 1xls h LEU 302 Ca 0.26 0.01 -0.01 0.00 0.13 0.00 0.00 57.88 58.28 1xls h LEU 302 Cb 0.17 0.02 0.00 0.00 -0.53 0.00 0.00 40.66 40.32 1xls h LEU 302 CO -0.18 0.00 -0.05 -1.13 -0.13 0.00 0.00 178.44 176.95 1xls h ASN 303 N 0.02 -0.13 -0.54 1.25 -0.00 -0.32 -2.14 115.58 113.72 1xls h ASN 303 Ca 0.02 -0.09 0.11 0.00 -0.00 0.00 0.00 56.30 56.34 1xls h ASN 303 Cb 0.02 0.03 -0.10 0.00 -0.00 0.00 0.00 38.32 38.28 1xls h ASN 303 CO -0.04 0.01 -0.11 0.78 -0.00 0.00 0.00 177.43 178.08 1xls h ASN 304 N -0.26 -0.44 -0.76 1.15 4.21 -0.20 0.19 115.58 119.48 1xls h ASN 304 Ca -0.02 0.16 0.04 0.00 1.21 0.00 0.00 56.30 57.69 1xls h ASN 304 Cb 0.21 0.31 -0.04 0.00 -1.12 0.00 0.00 38.32 37.68 1xls h ASN 304 CO 0.03 -0.16 0.50 -0.74 -1.29 0.00 0.00 177.43 175.76 1xls h HIS 305 N 0.02 0.88 0.45 1.19 2.76 -0.73 -0.46 115.15 119.27 1xls h HIS 305 Ca 0.26 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.43 1xls h HIS 305 Cb 0.41 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 29.08 1xls h HIS 305 CO -0.43 0.50 -0.22 0.82 -1.30 0.00 0.00 177.93 177.30 1xls h ILE 306 N 0.90 0.00 -0.61 6.26 2.04 -0.08 -3.30 117.51 122.72 1xls h ILE 306 Ca 0.31 -0.23 0.12 0.00 1.00 0.00 0.00 64.86 66.06 1xls h ILE 306 Cb 0.10 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.06 1xls h ILE 306 CO -0.09 0.00 -0.20 0.24 0.00 0.00 0.00 178.15 178.09 1xls h MET 307 N -0.84 -0.05 -1.85 2.37 2.86 -0.64 0.70 114.93 117.47 1xls h MET 307 Ca -0.06 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1xls h MET 307 Cb 0.47 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.14 1xls h MET 307 CO 0.10 -0.03 0.00 -0.85 1.06 0.00 0.00 176.91 177.19 1xls n GLU 308 N -5.44 0.55 -2.67 1.72 -0.00 -0.20 -2.48 120.64 112.14 1xls n GLU 308 Ca 0.07 0.00 -0.03 0.00 -0.00 0.00 0.00 57.16 57.19 1xls n GLU 308 Cb 0.34 -1.22 0.12 0.00 -0.00 0.00 0.00 31.44 30.68 1xls n GLU 308 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.13 178.07 1xls n GLN 309 N 1.46 1.30 -0.92 3.44 7.27 0.24 -4.99 117.38 125.18 1xls n GLN 309 Ca 0.00 -1.37 -0.34 0.00 0.07 0.00 0.00 57.00 55.35 1xls n GLN 309 Cb 0.28 0.28 0.03 0.00 2.41 0.00 0.00 30.24 33.24 1xls n GLN 309 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 1xls n GLN 310 N -1.25 0.00 0.00 3.69 6.02 -1.04 -4.88 117.38 119.92 1xls n GLN 310 Ca -0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.86 1xls n GLN 310 Cb 0.87 -0.92 0.00 0.00 1.02 0.00 0.00 30.24 31.21 1xls n GLN 310 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1xls n SER 311 N 3.22 0.00 -0.49 1.08 3.41 -1.26 -4.74 113.62 114.83 1xls n SER 311 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 1xls n SER 311 Cb 0.59 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 1xls n SER 311 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1xls n ARG 312 N 0.00 0.00 0.00 4.33 5.12 -1.26 -4.49 116.66 120.36 1xls n ARG 312 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1xls n ARG 312 Cb 0.00 -1.87 0.00 0.00 -1.16 0.00 0.00 32.46 29.43 1xls n ARG 312 CO 0.00 0.00 0.00 1.47 -1.93 0.00 0.00 177.63 177.17 1xls n LEU 313 N -0.49 0.00 0.00 0.55 -0.00 -1.26 -5.09 117.00 110.71 1xls n LEU 313 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1xls n LEU 313 Cb 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.79 1xls n LEU 313 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.39 177.39 1xls n GLN 314 N 0.00 0.00 -1.24 1.47 10.64 -1.26 -4.67 117.38 122.31 1xls n GLN 314 Ca 0.00 0.00 -0.08 0.00 -1.83 0.00 0.00 57.00 55.09 1xls n GLN 314 Cb 0.00 0.00 -0.04 0.00 -0.86 0.00 0.00 30.24 29.34 1xls n GLN 314 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 1xls n SER 315 N -0.02 -5.81 0.00 2.61 3.41 -1.26 -4.37 113.62 108.18 1xls n SER 315 Ca 0.00 0.21 0.00 0.00 -0.26 0.00 0.00 58.87 58.82 1xls n SER 315 Cb 0.00 -4.05 0.00 0.00 -0.26 0.00 0.00 64.21 59.90 1xls n SER 315 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1xls n ARG 316 N -0.36 0.00 -0.29 4.33 0.00 -1.26 -3.20 116.66 115.88 1xls n ARG 316 Ca -0.08 0.00 -0.03 0.00 -0.00 0.00 0.00 57.85 57.73 1xls n ARG 316 Cb 0.58 0.00 -0.04 0.00 0.00 0.00 0.00 32.46 32.99 1xls n ARG 316 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 1xls n PHE 317 N 0.00 0.00 -0.05 -0.14 3.72 -1.26 -4.10 117.46 115.63 1xls n PHE 317 Ca 0.00 -0.45 -0.08 0.00 -0.05 0.00 0.00 57.45 56.86 1xls n PHE 317 Cb 0.00 -0.70 0.08 0.00 -0.94 0.00 0.00 39.48 37.92 1xls n PHE 317 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 1xls h LEU 318 N 5.29 0.71 -0.54 4.37 7.12 -1.75 -0.43 115.31 130.09 1xls h LEU 318 Ca 0.05 -0.30 -0.16 0.00 0.13 0.00 0.00 57.88 57.60 1xls h LEU 318 Cb 0.46 -0.20 -0.01 0.00 -0.53 0.00 0.00 40.66 40.38 1xls h LEU 318 CO 0.33 1.00 -0.66 0.22 -0.13 0.00 0.00 178.44 179.20 1xls h TYR 319 N 0.57 0.38 0.00 1.25 3.20 -1.92 -2.00 116.97 118.44 1xls h TYR 319 Ca 0.06 -0.16 -0.08 0.00 3.14 0.00 0.00 58.73 61.69 1xls h TYR 319 Cb 0.87 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 39.06 1xls h TYR 319 CO 0.04 0.86 -0.40 0.00 -1.64 0.00 0.00 178.16 177.03 1xls h ALA 320 N 1.09 1.27 0.13 1.82 0.00 -1.77 -2.61 119.26 119.20 1xls h ALA 320 Ca -0.02 -0.36 -0.25 0.00 0.00 0.00 0.00 54.91 54.28 1xls h ALA 320 Cb 1.20 -0.06 0.03 0.00 0.00 0.00 0.00 17.79 18.95 1xls h ALA 320 CO 0.11 0.50 -1.04 0.87 0.00 0.00 0.00 179.25 179.68 1xls h LYS 321 N 0.00 0.47 -0.40 0.00 1.57 -0.87 -2.99 116.57 114.35 1xls h LYS 321 Ca -0.00 -0.69 -0.03 0.00 -1.87 0.00 0.00 60.65 58.06 1xls h LYS 321 Cb 0.74 0.24 -0.02 0.00 0.08 0.00 0.00 32.23 33.26 1xls h LYS 321 CO 0.05 1.30 0.12 -0.07 -0.57 0.00 0.00 179.45 180.28 1xls h LEU 322 N -0.02 0.54 -1.45 2.94 3.38 -1.32 0.31 115.31 119.68 1xls h LEU 322 Ca -0.17 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.67 1xls h LEU 322 Cb 1.77 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 42.38 1xls h LEU 322 CO 0.20 0.53 -0.27 0.24 0.09 0.00 0.00 178.44 179.22 1xls h MET 323 N 0.58 0.00 0.23 1.13 2.86 -1.50 0.35 114.93 118.57 1xls h MET 323 Ca 0.14 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.77 1xls h MET 323 Cb 0.19 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.85 1xls h MET 323 CO -0.01 0.27 -0.11 0.78 1.06 0.00 0.00 176.91 178.91 1xls h GLY 324 N 0.86 -0.32 0.64 8.32 0.00 -0.45 -2.82 103.07 109.30 1xls h GLY 324 Ca -0.00 0.12 0.13 0.00 0.00 0.00 0.00 47.33 47.57 1xls h GLY 324 CO 0.04 -0.12 0.55 1.41 0.00 0.00 0.00 176.54 178.42 1xls h LEU 325 N -0.71 0.62 -1.77 3.11 3.38 0.14 0.52 115.31 120.60 1xls h LEU 325 Ca -0.03 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1xls h LEU 325 Cb 0.49 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 1xls h LEU 325 CO 0.05 0.33 -0.07 -0.07 0.09 0.00 0.00 178.44 178.77 1xls h LEU 326 N 0.66 0.00 0.12 1.67 3.38 -0.25 -0.09 115.31 120.80 1xls h LEU 326 Ca 0.41 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 58.09 1xls h LEU 326 Cb 0.66 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 1xls h LEU 326 CO -0.17 0.07 -1.39 0.00 0.09 0.00 0.00 178.44 177.04 1xls h ALA 327 N 1.93 0.20 -0.12 1.53 0.00 0.24 -3.02 119.26 120.02 1xls h ALA 327 Ca -0.00 -1.01 -0.13 0.00 0.00 0.00 0.00 54.91 53.77 1xls h ALA 327 Cb 0.43 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1xls h ALA 327 CO 0.01 1.07 -0.50 -0.44 0.00 0.00 0.00 179.25 179.39 1xls h ASP 328 N 0.07 0.35 -0.38 0.00 5.19 -0.25 -2.69 116.42 118.71 1xls h ASP 328 Ca -0.19 -0.17 -0.00 0.00 -0.62 0.00 0.00 57.03 56.05 1xls h ASP 328 Cb 1.99 -0.10 -0.02 0.00 0.18 0.00 0.00 39.33 41.38 1xls h ASP 328 CO 0.18 0.79 0.22 -0.07 -3.12 0.00 0.00 179.24 177.25 1xls h LEU 329 N 0.26 0.46 -0.59 1.55 4.07 -1.10 -0.80 115.31 119.15 1xls h LEU 329 Ca 0.01 -0.06 0.09 0.00 0.08 0.00 0.00 57.88 58.00 1xls h LEU 329 Cb 0.97 -0.12 -0.11 0.00 1.08 0.00 0.00 40.66 42.48 1xls h LEU 329 CO 0.08 0.38 -0.41 -0.09 -1.08 0.00 0.00 178.44 177.33 1xls h ARG 330 N 0.49 -0.20 -0.25 1.13 9.65 -1.34 0.77 114.38 124.63 1xls h ARG 330 Ca 0.13 0.01 0.01 0.00 -1.10 0.00 0.00 59.98 59.04 1xls h ARG 330 Cb 0.01 0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 28.62 1xls h ARG 330 CO -0.02 -0.13 0.13 0.77 2.80 0.00 0.00 179.97 183.52 1xls h SER 331 N -0.21 0.21 -0.50 -3.80 0.02 -1.26 -0.41 113.55 107.60 1xls h SER 331 Ca 0.20 0.01 0.04 0.00 -0.84 0.00 0.00 61.79 61.19 1xls h SER 331 Cb 0.56 -0.04 -0.04 0.00 0.14 0.00 0.00 62.40 63.02 1xls h SER 331 CO -0.69 0.16 0.26 0.40 -1.14 0.00 0.00 176.83 175.82 1xls h ILE 332 N 0.28 0.98 -0.42 3.27 2.04 0.45 -1.68 117.51 122.42 1xls h ILE 332 Ca 0.10 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.77 1xls h ILE 332 Cb 0.01 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 36.49 1xls h ILE 332 CO -0.06 0.09 0.21 -1.13 0.00 0.00 0.00 178.15 177.26 1xls h ASN 333 N 0.51 0.55 0.00 1.72 -0.00 0.78 -1.11 115.58 118.04 1xls h ASN 333 Ca 0.22 -0.12 0.00 0.00 -0.00 0.00 0.00 56.30 56.39 1xls h ASN 333 Cb 0.11 -0.14 0.00 0.00 -0.00 0.00 0.00 38.32 38.29 1xls h ASN 333 CO -0.14 0.52 0.29 -1.13 -0.00 0.00 0.00 177.43 176.96 1xls h ASN 334 N 0.54 0.00 0.59 1.15 -1.24 -0.19 -0.31 115.58 116.12 1xls h ASN 334 Ca 0.15 0.00 -0.28 0.00 0.71 0.00 0.00 56.30 56.88 1xls h ASN 334 Cb 0.11 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.12 1xls h ASN 334 CO -0.02 0.00 -1.54 0.00 -1.29 0.00 0.00 177.43 174.59 1xls h ALA 335 N 1.42 0.61 0.18 1.57 0.00 -0.51 -3.38 119.26 119.16 1xls h ALA 335 Ca 0.00 -1.30 0.00 0.00 0.00 0.00 0.00 54.91 53.61 1xls h ALA 335 Cb 0.57 0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 1xls h ALA 335 CO 0.00 1.46 -0.40 1.88 0.00 0.00 0.00 179.25 182.19 1xls h TYR 336 N 0.01 -1.14 -0.92 0.00 0.99 -0.88 0.54 116.97 115.57 1xls h TYR 336 Ca -0.22 0.02 0.27 0.00 2.00 0.00 0.00 58.73 60.80 1xls h TYR 336 Cb 1.96 0.47 -0.04 0.00 1.00 0.00 0.00 36.73 40.12 1xls h TYR 336 CO 0.01 -0.47 0.89 0.66 -0.00 0.00 0.00 178.16 179.24 1xls h SER 337 N -0.63 0.00 0.15 3.88 4.64 -1.75 0.50 113.55 120.34 1xls h SER 337 Ca -0.02 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.10 1xls h SER 337 Cb 0.61 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.72 1xls h SER 337 CO -0.17 0.00 -0.88 1.88 -0.87 0.00 0.00 176.83 176.79 1xls h TYR 338 N 0.00 0.58 -0.34 4.77 -1.99 -1.22 -3.33 116.97 115.43 1xls h TYR 338 Ca 0.44 -0.42 -0.03 0.00 2.00 0.00 0.00 58.73 60.72 1xls h TYR 338 Cb 2.20 -0.02 -0.01 0.00 2.00 0.00 0.00 36.73 40.90 1xls h TYR 338 CO 0.00 1.34 0.10 0.93 -0.00 0.00 0.00 178.16 180.53 1xls h GLU 339 N -0.33 0.53 -0.81 4.88 4.39 0.20 -3.01 114.58 120.43 1xls h GLU 339 Ca -0.16 -0.12 0.20 0.00 0.34 0.00 0.00 59.36 59.62 1xls h GLU 339 Cb 1.69 -0.08 -0.13 0.00 -0.10 0.00 0.00 28.75 30.13 1xls h GLU 339 CO 0.16 0.57 0.14 -0.07 -1.16 0.00 0.00 179.01 178.65 1xls h LEU 340 N 0.40 -0.13 0.63 1.33 3.38 -1.28 -2.04 115.31 117.59 1xls h LEU 340 Ca 0.11 0.19 -0.03 0.00 0.09 0.00 0.00 57.88 58.24 1xls h LEU 340 Cb 0.27 0.29 0.01 0.00 0.09 0.00 0.00 40.66 41.31 1xls h LEU 340 CO -0.00 -0.14 -0.30 1.56 0.09 0.00 0.00 178.44 179.64 1xls h GLN 341 N 0.18 -0.81 0.00 1.13 4.20 -1.64 -2.90 115.11 115.27 1xls h GLN 341 Ca 0.48 0.06 0.00 0.00 0.06 0.00 0.00 58.65 59.25 1xls h GLN 341 Cb 0.90 0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.87 1xls h GLN 341 CO -0.64 -0.50 0.00 0.54 -0.67 0.00 0.00 178.83 177.56 1xls n ARG 342 N -5.41 0.00 -0.20 1.46 5.12 -0.78 -2.29 116.66 114.56 1xls n ARG 342 Ca -0.13 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.79 1xls n ARG 342 Cb 0.36 -0.99 0.00 0.00 -1.16 0.00 0.00 32.46 30.67 1xls n ARG 342 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 1xls n LEU 343 N -0.01 0.05 0.00 0.55 7.94 -1.09 -5.06 117.00 119.37 1xls n LEU 343 Ca 0.00 -0.45 0.00 0.00 -1.11 0.00 0.00 56.01 54.45 1xls n LEU 343 Cb 0.00 -0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 1xls n LEU 343 CO 0.00 0.11 0.00 -0.62 -1.11 0.00 0.00 177.39 175.77 1xls n GLU 344 N -0.02 0.00 0.00 1.96 1.02 -0.97 -2.94 120.64 119.69 1xls n GLU 344 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1xls n GLU 344 Cb 0.58 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.00 1xls n GLU 344 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1xls n GLU 345 N 0.00 0.00 -0.17 3.49 -0.58 -1.26 -1.13 120.64 120.99 1xls n GLU 345 Ca 0.00 0.00 -0.04 0.00 -0.42 0.00 0.00 57.16 56.70 1xls n GLU 345 Cb 0.00 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 30.83 1xls n GLU 345 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1xls n LEU 346 N -2.78 -0.42 -0.16 -4.62 7.94 -1.15 -1.34 117.00 114.47 1xls n LEU 346 Ca 0.00 1.06 -0.04 0.00 -1.11 0.00 0.00 56.01 55.92 1xls n LEU 346 Cb 0.00 -0.27 -0.04 0.00 0.53 0.00 0.00 43.42 43.64 1xls n LEU 346 CO 0.00 -0.75 0.35 -1.20 -1.11 0.00 0.00 177.39 174.68 1xls n SER 347 N -3.91 -0.40 -0.16 1.96 7.64 -0.28 0.14 113.62 118.61 1xls n SER 347 Ca 0.01 1.01 -0.02 0.00 1.01 0.00 0.00 58.87 60.87 1xls n SER 347 Cb 0.10 -0.25 0.07 0.00 -1.01 0.00 0.00 64.21 63.12 1xls n SER 347 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xls h ALA 348 N -0.14 0.58 -0.92 -0.43 0.00 -1.34 -2.29 119.26 114.72 1xls h ALA 348 Ca 0.06 0.09 0.11 0.00 0.00 0.00 0.00 54.91 55.17 1xls h ALA 348 Cb 0.16 0.11 -0.08 0.00 0.00 0.00 0.00 17.79 17.98 1xls h ALA 348 CO -0.36 -0.28 0.55 0.52 0.00 0.00 0.00 179.25 179.68 1xls h MET 349 N 0.27 0.87 -3.68 0.00 2.07 0.87 -3.35 114.93 111.98 1xls h MET 349 Ca 0.25 -0.05 -0.60 0.00 -2.07 0.00 0.00 59.70 57.23 1xls h MET 349 Cb 0.32 -0.20 -0.40 0.00 -1.87 0.00 0.00 31.60 29.45 1xls h MET 349 CO -0.30 0.57 -0.75 -0.08 1.07 0.00 0.00 176.91 177.42 1xls s THR 350 N -5.99 1.13 0.07 2.22 -1.32 0.03 -4.92 115.64 106.86 1xls s THR 350 Ca -0.12 -1.64 -0.17 0.00 -1.21 0.00 0.00 61.69 58.55 1xls s THR 350 Cb 0.21 -1.85 -0.13 0.00 -1.51 0.00 0.00 72.50 69.22 1xls s THR 350 CO 0.80 -0.68 1.34 -0.65 -2.21 0.00 0.00 174.62 173.21 1xls h PRO 351 N 7.91 0.59 -0.41 7.08 0.11 -1.69 -3.09 132.00 142.49 1xls h PRO 351 Ca -0.11 -0.36 0.08 0.00 0.11 0.00 0.00 66.00 65.71 1xls h PRO 351 Cb 1.01 0.04 -0.07 0.00 0.11 0.00 0.00 31.00 32.09 1xls h PRO 351 CO 0.48 0.97 -0.04 1.25 -0.21 0.00 0.00 178.00 180.45 1xls h LEU 352 N 0.26 -0.25 -1.26 2.35 5.85 -1.94 0.23 115.31 120.56 1xls h LEU 352 Ca 0.01 0.11 -0.07 0.00 0.84 0.00 0.00 57.88 58.77 1xls h LEU 352 Cb 0.93 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 1xls h LEU 352 CO 0.08 -0.08 -0.20 0.25 -0.34 0.00 0.00 178.44 178.14 1xls h LEU 353 N 0.06 0.25 -1.12 2.25 6.46 -1.94 -0.37 115.31 120.90 1xls h LEU 353 Ca 0.20 -0.07 -0.09 0.00 -0.12 0.00 0.00 57.88 57.80 1xls h LEU 353 Cb 0.30 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 40.15 1xls h LEU 353 CO -0.37 0.47 -0.41 1.23 -0.62 0.00 0.00 178.44 178.74 1xls h GLY 354 N 0.88 0.06 0.27 3.75 0.00 -0.88 -2.92 103.07 104.23 1xls h GLY 354 Ca 0.04 -0.05 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 1xls h GLY 354 CO 0.03 0.05 -0.02 -2.09 0.00 0.00 0.00 176.54 174.51 1xls h GLU 355 N 0.05 -0.07 -0.82 4.80 4.57 0.36 -2.76 114.58 120.71 1xls h GLU 355 Ca 0.00 0.00 0.20 0.00 -1.18 0.00 0.00 59.36 58.38 1xls h GLU 355 Cb 0.75 0.02 -0.14 0.00 -0.16 0.00 0.00 28.75 29.21 1xls h GLU 355 CO 0.06 0.55 0.03 0.82 -1.18 0.00 0.00 179.01 179.29 1xls h ILE 356 N -0.80 0.27 -0.02 2.32 1.08 -1.02 -2.30 117.51 117.03 1xls h ILE 356 Ca -0.01 -0.03 0.00 0.00 -0.39 0.00 0.00 64.86 64.43 1xls h ILE 356 Cb 0.65 0.16 0.00 0.00 -3.07 0.00 0.00 36.82 34.56 1xls h ILE 356 CO 0.01 0.02 -0.21 0.00 -0.69 0.00 0.00 178.15 177.28