#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gum s ASN 112 N 0.00 1.42 0.26 0.00 3.84 -1.26 -4.72 114.94 114.47 2gum s ASN 112 Ca 0.00 -0.36 0.02 0.00 0.21 0.00 0.00 52.86 52.72 2gum s ASN 112 Cb 0.00 -0.10 -0.03 0.00 -0.55 0.00 0.00 41.25 40.56 2gum s ASN 112 CO 0.00 0.05 0.42 -0.36 -2.79 0.00 0.00 177.10 174.42 2gum s PHE 113 N -0.67 3.48 -0.01 0.43 0.40 -0.97 -4.85 117.98 115.79 2gum s PHE 113 Ca 0.01 0.20 -0.04 0.00 -0.60 0.00 0.00 56.93 56.50 2gum s PHE 113 Cb -0.07 -1.75 -0.00 0.00 0.51 0.00 0.00 43.02 41.71 2gum s PHE 113 CO 0.01 0.33 0.08 0.71 0.70 0.00 0.00 175.22 177.05 2gum s TYR 114 N -2.04 0.05 -0.17 0.36 1.51 -0.83 -0.06 117.35 116.18 2gum s TYR 114 Ca 0.37 -0.11 -0.00 0.00 -1.01 0.00 0.00 57.07 56.31 2gum s TYR 114 Cb -0.10 -0.06 -0.00 0.00 -0.11 0.00 0.00 41.96 41.69 2gum s TYR 114 CO 0.31 -0.18 -0.14 0.08 -1.11 0.00 0.00 175.55 174.51 2gum s VAL 115 N -0.93 2.75 -0.37 0.71 1.01 -0.58 0.14 120.40 123.12 2gum s VAL 115 Ca -0.10 -0.73 -0.00 0.00 0.00 0.00 0.00 61.98 61.15 2gum s VAL 115 Cb -0.06 -2.18 0.10 0.00 0.00 0.00 0.00 36.38 34.24 2gum s VAL 115 CO 0.00 0.50 0.13 0.00 0.00 0.00 0.00 175.10 175.73 2gum s PRO 117 N 1.06 2.16 0.13 0.00 0.02 -1.26 -4.89 135.00 132.22 2gum s PRO 117 Ca 0.08 1.89 -0.34 0.00 0.02 0.00 0.00 61.00 62.66 2gum s PRO 117 Cb -0.21 -1.82 -0.14 0.00 0.02 0.00 0.00 34.50 32.35 2gum s PRO 117 CO -0.05 -1.86 1.61 -2.30 -0.33 0.00 0.00 177.00 174.07 2gum n PRO 118 N -2.55 2.16 -2.13 5.54 -0.02 -1.26 -4.82 135.00 131.92 2gum n PRO 118 Ca 0.15 0.78 -0.38 0.00 -2.02 0.00 0.00 63.50 62.03 2gum n PRO 118 Cb 0.49 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 2gum n PRO 118 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 2gum s PRO 119 N 1.26 3.71 0.29 0.52 0.02 -1.26 -4.99 135.00 134.55 2gum s PRO 119 Ca 0.80 1.94 0.10 0.00 0.02 0.00 0.00 61.00 63.87 2gum s PRO 119 Cb -0.68 -2.47 -0.05 0.00 0.02 0.00 0.00 34.50 31.32 2gum s PRO 119 CO 0.39 -0.64 -0.07 0.95 -0.33 0.00 0.00 177.00 177.30 2gum s THR 120 N -1.43 2.85 -0.84 0.99 -4.23 -1.26 -4.96 115.64 106.76 2gum s THR 120 Ca 0.63 -2.11 0.00 0.00 -1.18 0.00 0.00 61.69 59.03 2gum s THR 120 Cb -0.33 -2.64 0.00 0.00 1.34 0.00 0.00 72.50 70.87 2gum s THR 120 CO 0.40 -0.33 0.58 0.61 -0.54 0.00 0.00 174.62 175.35 2gum n GLY 121 N -0.81 -0.17 0.38 3.99 0.00 -1.26 -3.22 105.19 104.10 2gum n GLY 121 Ca -0.05 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.87 2gum n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gum n ALA 122 N -1.08 -0.58 -3.39 4.61 0.00 -1.26 -4.37 120.51 114.44 2gum n ALA 122 Ca 0.00 0.77 -0.30 0.00 0.00 0.00 0.00 53.44 53.91 2gum n ALA 122 Cb 0.12 -0.09 -0.17 0.00 0.00 0.00 0.00 19.45 19.31 2gum n ALA 122 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2gum s THR 123 N -5.29 1.79 -0.06 0.00 2.01 -1.20 -5.08 115.64 107.81 2gum s THR 123 Ca -0.11 -0.85 0.03 0.00 0.31 0.00 0.00 61.69 61.07 2gum s THR 123 Cb 0.10 -1.58 0.01 0.00 0.01 0.00 0.00 72.50 71.04 2gum s THR 123 CO 0.56 0.50 -0.14 -0.69 -0.69 0.00 0.00 174.62 174.16 2gum s VAL 124 N 0.56 1.28 0.23 3.82 1.01 -1.26 -1.04 120.40 125.00 2gum s VAL 124 Ca -0.15 -0.58 0.10 0.00 0.00 0.00 0.00 61.98 61.35 2gum s VAL 124 Cb -0.17 -1.14 -0.05 0.00 0.00 0.00 0.00 36.38 35.03 2gum s VAL 124 CO 0.05 0.38 -0.18 0.68 0.00 0.00 0.00 175.10 176.03 2gum s VAL 125 N 0.46 2.12 0.17 2.92 -7.23 0.24 -4.95 120.40 114.11 2gum s VAL 125 Ca -0.12 -2.25 0.03 0.00 -1.81 0.00 0.00 61.98 57.83 2gum s VAL 125 Cb -0.15 -2.14 -0.05 0.00 0.56 0.00 0.00 36.38 34.61 2gum s VAL 125 CO 0.04 -0.44 -0.03 0.00 -0.31 0.00 0.00 175.10 174.36 2gum s GLN 126 N -3.41 1.09 0.15 4.82 -2.07 -1.26 -1.17 119.66 117.80 2gum s GLN 126 Ca 0.25 -1.51 -0.13 0.00 -1.82 0.00 0.00 55.36 52.15 2gum s GLN 126 Cb -0.04 -0.38 -0.07 0.00 -1.09 0.00 0.00 33.01 31.44 2gum s GLN 126 CO 0.11 -0.07 0.53 -0.06 -1.32 0.00 0.00 175.29 174.48 2gum s PHE 127 N -3.55 3.59 0.35 9.60 2.99 -1.26 -5.04 117.98 124.65 2gum s PHE 127 Ca 0.21 1.01 -0.28 0.00 0.00 0.00 0.00 56.93 57.87 2gum s PHE 127 Cb 0.05 -2.33 -0.10 0.00 0.00 0.00 0.00 43.02 40.63 2gum s PHE 127 CO 0.03 0.43 1.34 -2.00 -0.00 0.00 0.00 175.22 175.01 2gum s GLU 128 N -2.03 4.27 0.71 0.44 2.12 -1.26 -5.01 118.70 117.94 2gum s GLU 128 Ca 0.38 2.27 -0.07 0.00 0.36 0.00 0.00 54.97 57.92 2gum s GLU 128 Cb -0.15 -3.02 0.06 0.00 0.26 0.00 0.00 34.13 31.29 2gum s GLU 128 CO 0.19 -0.28 1.02 -0.65 -0.54 0.00 0.00 175.26 174.99 2gum s GLN 129 N -1.90 2.16 0.06 4.30 -1.52 -1.26 -4.98 119.66 116.52 2gum s GLN 129 Ca 0.50 -0.28 -0.37 0.00 -1.95 0.00 0.00 55.36 53.27 2gum s GLN 129 Cb -0.41 -2.17 -0.16 0.00 -0.22 0.00 0.00 33.01 30.05 2gum s GLN 129 CO 0.54 -1.26 1.43 -2.30 -0.25 0.00 0.00 175.29 173.46 2gum n PRO 130 N -2.93 1.33 -2.39 2.91 -0.02 -1.26 -4.96 135.00 127.68 2gum n PRO 130 Ca 0.08 0.48 -0.32 0.00 -2.02 0.00 0.00 63.50 61.73 2gum n PRO 130 Cb 0.60 -2.15 -0.03 0.00 -0.02 0.00 0.00 33.50 31.90 2gum n PRO 130 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2gum s ARG 131 N 0.94 3.85 -0.22 -0.52 0.52 -1.26 -5.00 118.95 117.27 2gum s ARG 131 Ca 0.85 0.82 -0.29 0.00 -0.52 0.00 0.00 55.73 56.59 2gum s ARG 131 Cb -0.92 -2.17 -0.00 0.00 0.52 0.00 0.00 34.95 32.38 2gum s ARG 131 CO 0.47 -0.28 1.20 0.50 0.02 0.00 0.00 175.30 177.22 2gum s ARG 132 N -4.23 4.16 0.33 3.54 6.06 -1.26 -4.99 118.95 122.56 2gum s ARG 132 Ca 0.57 1.46 -0.26 0.00 -2.50 0.00 0.00 55.73 55.00 2gum s ARG 132 Cb -0.10 -3.76 -0.10 0.00 0.06 0.00 0.00 34.95 31.05 2gum s ARG 132 CO 0.35 -0.79 0.96 0.00 -2.50 0.00 0.00 175.30 173.33 2gum n PRO 134 N 0.48 -1.20 -4.36 0.00 -0.02 -1.26 -5.03 135.00 123.61 2gum n PRO 134 Ca 0.02 -0.31 -0.24 0.00 -2.02 0.00 0.00 63.50 60.95 2gum n PRO 134 Cb 0.50 -1.98 -0.12 0.00 -0.02 0.00 0.00 33.50 31.88 2gum n PRO 134 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2gum s THR 135 N -2.40 2.01 0.14 3.45 -4.23 -1.26 -4.92 115.64 108.43 2gum s THR 135 Ca 0.61 -1.90 -0.31 0.00 -1.18 0.00 0.00 61.69 58.92 2gum s THR 135 Cb -0.20 -1.91 -0.08 0.00 1.34 0.00 0.00 72.50 71.66 2gum s THR 135 CO 0.65 -0.19 1.28 -0.13 -0.54 0.00 0.00 174.62 175.69 2gum s ARG 136 N -2.59 4.40 0.79 3.99 0.52 -1.26 -4.98 118.95 119.81 2gum s ARG 136 Ca 0.16 1.95 -0.15 0.00 -0.52 0.00 0.00 55.73 57.18 2gum s ARG 136 Cb -0.07 -3.26 0.01 0.00 0.52 0.00 0.00 34.95 32.15 2gum s ARG 136 CO 0.07 -0.28 0.71 -2.30 0.02 0.00 0.00 175.30 173.53 2gum n PRO 137 N 3.33 0.19 -0.15 3.54 -0.02 -1.26 -4.89 135.00 135.74 2gum n PRO 137 Ca 0.08 0.12 -0.09 0.00 -2.02 0.00 0.00 63.50 61.59 2gum n PRO 137 Cb 0.44 -2.02 -0.04 0.00 -0.02 0.00 0.00 33.50 31.86 2gum n PRO 137 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2gum h GLU 138 N -0.70 -0.27 0.00 -0.52 5.08 -2.08 -3.48 114.58 112.60 2gum h GLU 138 Ca -0.46 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 2gum h GLU 138 Cb 1.32 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.63 2gum h GLU 138 CO 0.42 -0.18 0.00 0.41 -1.00 0.00 0.00 179.01 178.66 2gum n GLY 139 N -1.41 3.29 3.76 -3.84 0.00 -1.26 -5.06 105.19 100.66 2gum n GLY 139 Ca 0.00 -1.33 -0.41 0.00 0.00 0.00 0.00 46.02 44.29 2gum n GLY 139 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2gum s GLN 140 N -5.68 4.28 -0.29 1.61 2.00 -1.26 -5.00 119.66 115.33 2gum s GLN 140 Ca 0.00 2.31 -0.16 0.00 -2.00 0.00 0.00 55.36 55.51 2gum s GLN 140 Cb 0.00 -3.07 -0.03 0.00 0.80 0.00 0.00 33.01 30.72 2gum s GLN 140 CO 0.00 -0.33 0.40 -0.80 -0.50 0.00 0.00 175.29 174.07 2gum s ASN 141 N -0.14 6.27 0.01 6.67 0.01 -1.26 -5.07 114.94 121.43 2gum s ASN 141 Ca 0.53 0.19 0.02 0.00 -0.71 0.00 0.00 52.86 52.89 2gum s ASN 141 Cb -0.42 -2.22 -0.04 0.00 0.41 0.00 0.00 41.25 38.99 2gum s ASN 141 CO 0.51 -0.26 0.00 -0.31 -1.51 0.00 0.00 177.10 175.54 2gum s TYR 142 N 2.13 3.06 -0.17 2.20 1.51 -1.26 -4.47 117.35 120.35 2gum s TYR 142 Ca 0.16 0.06 -0.02 0.00 -1.01 0.00 0.00 57.07 56.26 2gum s TYR 142 Cb -0.16 -1.65 -0.01 0.00 -0.11 0.00 0.00 41.96 40.03 2gum s TYR 142 CO 0.11 0.46 -0.10 0.99 -1.11 0.00 0.00 175.55 175.90 2gum s THR 143 N -1.11 3.12 0.63 -0.71 2.01 0.47 -4.92 115.64 115.12 2gum s THR 143 Ca 0.20 -0.61 -0.14 0.00 0.31 0.00 0.00 61.69 61.45 2gum s THR 143 Cb -0.12 -2.35 -0.02 0.00 0.01 0.00 0.00 72.50 70.02 2gum s THR 143 CO 0.11 0.49 1.07 -1.61 -0.69 0.00 0.00 174.62 173.99 2gum s GLU 144 N 0.82 3.13 -0.13 4.92 2.02 -1.26 -1.27 118.70 126.93 2gum s GLU 144 Ca -0.03 1.18 -0.34 0.00 0.02 0.00 0.00 54.97 55.80 2gum s GLU 144 Cb -0.15 -2.01 0.15 0.00 0.10 0.00 0.00 34.13 32.22 2gum s GLU 144 CO 0.01 -0.96 1.44 0.20 0.02 0.00 0.00 175.26 175.97 2gum s GLY 145 N -2.98 -0.46 0.01 -1.39 0.00 -1.14 -1.25 107.32 100.11 2gum s GLY 145 Ca 0.63 1.12 0.03 0.00 0.00 0.00 0.00 44.72 46.50 2gum s GLY 145 CO 0.42 0.25 -0.06 -0.42 0.00 0.00 0.00 173.10 173.28 2gum s ILE 146 N -2.01 3.67 0.02 0.90 1.01 -0.01 -1.69 121.20 123.09 2gum s ILE 146 Ca 0.15 -0.78 -0.04 0.00 0.00 0.00 0.00 60.65 59.97 2gum s ILE 146 Cb 0.07 -2.60 -0.01 0.00 0.01 0.00 0.00 42.46 39.92 2gum s ILE 146 CO -0.06 0.38 0.07 0.00 0.00 0.00 0.00 174.94 175.33 2gum s ALA 147 N -1.01 -0.10 -0.06 9.38 0.00 -0.80 0.53 121.76 129.69 2gum s ALA 147 Ca 0.17 -0.40 0.03 0.00 0.00 0.00 0.00 51.96 51.76 2gum s ALA 147 Cb -0.11 0.16 0.01 0.00 0.00 0.00 0.00 23.12 23.17 2gum s ALA 147 CO 0.08 -0.22 -0.16 0.08 0.00 0.00 0.00 175.76 175.55 2gum s VAL 148 N -1.71 1.37 -0.19 0.00 1.01 0.11 -0.18 120.40 120.82 2gum s VAL 148 Ca -0.13 -0.64 -0.04 0.00 0.00 0.00 0.00 61.98 61.17 2gum s VAL 148 Cb -0.07 -1.22 -0.02 0.00 0.00 0.00 0.00 36.38 35.08 2gum s VAL 148 CO -0.01 0.40 -0.03 -0.69 0.00 0.00 0.00 175.10 174.77 2gum s VAL 149 N 0.42 3.71 0.15 2.92 1.01 0.15 -0.27 120.40 128.48 2gum s VAL 149 Ca -0.12 -0.40 0.04 0.00 0.00 0.00 0.00 61.98 61.50 2gum s VAL 149 Cb -0.15 -2.65 -0.04 0.00 0.00 0.00 0.00 36.38 33.54 2gum s VAL 149 CO 0.04 0.45 0.14 -0.36 0.00 0.00 0.00 175.10 175.37 2gum s PHE 150 N 0.87 3.18 0.18 5.22 0.40 0.20 -0.31 117.98 127.71 2gum s PHE 150 Ca -0.00 0.01 0.04 0.00 -0.60 0.00 0.00 56.93 56.38 2gum s PHE 150 Cb -0.15 -1.54 -0.05 0.00 0.51 0.00 0.00 43.02 41.79 2gum s PHE 150 CO 0.02 0.52 -0.07 -1.59 0.70 0.00 0.00 175.22 174.79 2gum s LYS 151 N -2.97 1.16 0.25 0.44 -2.85 0.01 -1.35 119.74 114.42 2gum s LYS 151 Ca 0.31 -1.53 -0.31 0.00 -1.00 0.00 0.00 55.97 53.44 2gum s LYS 151 Cb -0.11 -0.64 -0.13 0.00 -2.06 0.00 0.00 37.83 34.90 2gum s LYS 151 CO 0.23 0.02 1.44 -1.91 0.10 0.00 0.00 175.35 175.24 2gum n GLU 152 N -0.27 2.16 -2.96 1.78 2.13 -1.26 -0.21 120.64 122.01 2gum n GLU 152 Ca -0.08 0.77 -0.40 0.00 0.66 0.00 0.00 57.16 58.10 2gum n GLU 152 Cb 0.62 -2.45 -0.04 0.00 0.27 0.00 0.00 31.44 29.83 2gum n GLU 152 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 2gum s ASN 153 N 0.32 7.03 0.00 4.31 2.47 -0.34 -4.63 114.94 124.10 2gum s ASN 153 Ca 0.67 1.24 0.00 0.00 0.42 0.00 0.00 52.86 55.19 2gum s ASN 153 Cb -0.62 -2.44 0.00 0.00 -1.45 0.00 0.00 41.25 36.74 2gum s ASN 153 CO 0.50 -0.22 0.77 2.30 -3.72 0.00 0.00 177.10 176.73 2gum n ILE 154 N 4.07 0.55 -3.10 -5.21 -5.35 -1.26 -4.87 119.36 104.20 2gum n ILE 154 Ca 0.01 -0.76 -0.39 0.00 -0.27 0.00 0.00 62.75 61.34 2gum n ILE 154 Cb 0.51 0.74 -0.06 0.00 -1.74 0.00 0.00 39.64 39.08 2gum n ILE 154 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2gum s ALA 155 N -0.55 3.48 0.54 -1.28 0.00 -1.26 -5.05 121.76 117.64 2gum s ALA 155 Ca 0.00 0.21 -0.19 0.00 0.00 0.00 0.00 51.96 51.97 2gum s ALA 155 Cb 0.00 -2.84 -0.06 0.00 0.00 0.00 0.00 23.12 20.22 2gum s ALA 155 CO 0.00 0.26 1.11 -2.14 0.00 0.00 0.00 175.76 174.99 2gum s PRO 156 N -0.78 3.41 0.05 0.00 0.02 -1.26 -4.97 135.00 131.46 2gum s PRO 156 Ca 0.34 1.54 -0.31 0.00 0.02 0.00 0.00 61.00 62.59 2gum s PRO 156 Cb -0.21 -2.02 -0.06 0.00 0.02 0.00 0.00 34.50 32.23 2gum s PRO 156 CO 0.22 -0.79 1.37 -0.47 -0.33 0.00 0.00 177.00 177.00 2gum s TYR 157 N -1.86 3.06 -0.03 6.54 5.04 0.21 -4.81 117.35 125.51 2gum s TYR 157 Ca 0.71 0.93 0.08 0.00 -2.44 0.00 0.00 57.07 56.35 2gum s TYR 157 Cb -0.22 -3.64 -0.02 0.00 0.35 0.00 0.00 41.96 38.44 2gum s TYR 157 CO 0.27 -2.26 -0.25 0.15 -1.34 0.00 0.00 175.55 172.11 2gum s LYS 158 N 1.78 2.20 0.11 4.97 1.02 -1.26 -0.84 119.74 127.71 2gum s LYS 158 Ca 0.63 -0.92 -0.22 0.00 0.02 0.00 0.00 55.97 55.49 2gum s LYS 158 Cb -0.33 -2.07 0.06 0.00 -0.52 0.00 0.00 37.83 34.97 2gum s LYS 158 CO 0.28 0.53 0.54 -0.59 -0.92 0.00 0.00 175.35 175.20 2gum s PHE 159 N -0.54 -0.45 0.27 3.18 -0.12 -0.71 -5.00 117.98 114.62 2gum s PHE 159 Ca 0.08 0.32 -0.11 0.00 -0.05 0.00 0.00 56.93 57.17 2gum s PHE 159 Cb -0.11 0.44 -0.08 0.00 -0.63 0.00 0.00 43.02 42.64 2gum s PHE 159 CO -0.00 -0.75 0.63 0.15 -0.05 0.00 0.00 175.22 175.19 2gum s LYS 160 N -3.29 3.87 0.12 1.99 1.02 -1.26 -0.24 119.74 121.95 2gum s LYS 160 Ca -0.01 0.42 -0.14 0.00 0.02 0.00 0.00 55.97 56.26 2gum s LYS 160 Cb -0.00 -2.56 0.02 0.00 -0.52 0.00 0.00 37.83 34.78 2gum s LYS 160 CO -0.09 0.24 0.34 0.00 -0.92 0.00 0.00 175.35 174.93 2gum s ALA 161 N -1.91 -0.72 -0.03 5.17 0.00 -0.61 -4.59 121.76 119.07 2gum s ALA 161 Ca 0.50 -0.23 0.07 0.00 0.00 0.00 0.00 51.96 52.29 2gum s ALA 161 Cb -0.11 0.65 -0.02 0.00 0.00 0.00 0.00 23.12 23.64 2gum s ALA 161 CO 0.21 -0.61 -0.23 0.99 0.00 0.00 0.00 175.76 176.12 2gum s THR 162 N -3.83 2.32 -0.14 0.00 2.01 0.54 -0.29 115.64 116.26 2gum s THR 162 Ca 0.04 -1.00 -0.03 0.00 0.31 0.00 0.00 61.69 61.01 2gum s THR 162 Cb 0.03 -1.84 -0.03 0.00 0.01 0.00 0.00 72.50 70.67 2gum s THR 162 CO -0.11 0.58 -0.05 -0.04 -0.69 0.00 0.00 174.62 174.31 2gum s MET 163 N -0.57 3.52 -0.17 4.92 -1.94 0.26 -0.90 119.30 124.43 2gum s MET 163 Ca 0.08 -0.53 0.00 0.00 -1.71 0.00 0.00 55.69 53.53 2gum s MET 163 Cb -0.11 -2.85 0.03 0.00 2.01 0.00 0.00 34.83 33.92 2gum s MET 163 CO 0.00 0.30 -0.12 0.71 -0.01 0.00 0.00 175.02 175.91 2gum s TYR 164 N 0.18 2.23 0.11 -0.03 1.51 0.13 -0.54 117.35 120.94 2gum s TYR 164 Ca -0.03 -1.35 -0.25 0.00 -1.01 0.00 0.00 57.07 54.43 2gum s TYR 164 Cb -0.14 -1.59 0.08 0.00 -0.11 0.00 0.00 41.96 40.20 2gum s TYR 164 CO 0.03 -0.69 0.80 1.52 -1.11 0.00 0.00 175.55 176.09 2gum s TYR 165 N 1.46 -0.34 -0.04 2.71 -0.85 -0.42 -1.34 117.35 118.53 2gum s TYR 165 Ca 0.02 0.12 0.07 0.00 -0.52 0.00 0.00 57.07 56.76 2gum s TYR 165 Cb -0.14 0.58 -0.01 0.00 0.38 0.00 0.00 41.96 42.77 2gum s TYR 165 CO -0.09 -0.77 -0.25 0.15 -1.52 0.00 0.00 175.55 173.07 2gum s LYS 166 N -3.43 2.30 -0.65 -3.49 1.02 0.22 0.06 119.74 115.77 2gum s LYS 166 Ca 0.06 -0.89 -0.25 0.00 0.02 0.00 0.00 55.97 54.91 2gum s LYS 166 Cb -0.02 -2.05 0.04 0.00 -0.52 0.00 0.00 37.83 35.28 2gum s LYS 166 CO -0.06 0.44 1.11 -0.51 -0.92 0.00 0.00 175.35 175.41 2gum s ASP 167 N -0.33 6.25 -0.40 2.83 -0.00 -0.68 -0.84 116.67 123.52 2gum s ASP 167 Ca 0.02 -0.48 -0.19 0.00 -0.00 0.00 0.00 52.55 51.90 2gum s ASP 167 Cb -0.12 -2.49 0.01 0.00 -0.00 0.00 0.00 42.92 40.32 2gum s ASP 167 CO 0.02 -1.54 0.56 -0.69 -0.00 0.00 0.00 175.17 173.51 2gum s VAL 168 N 4.78 4.95 -0.07 -1.27 1.01 -0.60 -2.51 120.40 126.69 2gum s VAL 168 Ca 0.32 0.15 0.05 0.00 0.00 0.00 0.00 61.98 62.50 2gum s VAL 168 Cb -0.11 -4.08 -0.01 0.00 0.00 0.00 0.00 36.38 32.18 2gum s VAL 168 CO 0.16 -0.41 -0.24 -0.89 0.00 0.00 0.00 175.10 173.72 2gum s THR 169 N 2.54 2.02 -0.23 3.92 2.01 -0.78 -0.84 115.64 124.28 2gum s THR 169 Ca 0.19 -1.03 -0.02 0.00 0.31 0.00 0.00 61.69 61.14 2gum s THR 169 Cb -0.15 -1.72 0.07 0.00 0.01 0.00 0.00 72.50 70.71 2gum s THR 169 CO 0.16 0.56 0.05 0.54 -0.69 0.00 0.00 174.62 175.24 2gum s VAL 170 N 0.03 0.62 0.42 3.82 0.11 -0.46 0.35 120.40 125.30 2gum s VAL 170 Ca -0.09 -0.82 -0.01 0.00 -2.93 0.00 0.00 61.98 58.13 2gum s VAL 170 Cb -0.15 -1.23 -0.02 0.00 -1.53 0.00 0.00 36.38 33.45 2gum s VAL 170 CO 0.06 -0.36 0.65 -0.94 -3.33 0.00 0.00 175.10 171.18 2gum s SER 171 N 1.79 6.06 -0.07 3.54 1.04 -0.04 -1.92 113.70 124.10 2gum s SER 171 Ca 0.02 0.47 0.00 0.00 0.48 0.00 0.00 55.95 56.93 2gum s SER 171 Cb -0.17 -1.85 0.02 0.00 0.10 0.00 0.00 66.02 64.13 2gum s SER 171 CO -0.14 -0.55 -0.06 -1.58 0.98 0.00 0.00 173.24 171.89 2gum s GLN 172 N -4.52 1.20 -0.02 4.02 0.74 -0.70 -1.58 119.66 118.80 2gum s GLN 172 Ca 0.45 -0.18 0.04 0.00 0.05 0.00 0.00 55.36 55.72 2gum s GLN 172 Cb -0.10 -1.21 -0.01 0.00 1.10 0.00 0.00 33.01 32.79 2gum s GLN 172 CO 0.39 -0.15 -0.14 0.08 -0.55 0.00 0.00 175.29 174.92 2gum s VAL 173 N 1.28 1.15 -0.24 1.34 1.01 -0.21 -1.05 120.40 123.68 2gum s VAL 173 Ca -0.04 -0.59 -0.04 0.00 0.00 0.00 0.00 61.98 61.30 2gum s VAL 173 Cb -0.14 -0.98 0.00 0.00 0.00 0.00 0.00 36.38 35.26 2gum s VAL 173 CO -0.02 0.33 -0.02 0.86 0.00 0.00 0.00 175.10 176.25 2gum s TRP 174 N -0.11 3.02 -0.23 5.22 -0.00 -0.60 -1.40 118.94 124.84 2gum s TRP 174 Ca 0.01 -1.07 -0.23 0.00 -0.00 0.00 0.00 56.10 54.80 2gum s TRP 174 Cb -0.08 -2.13 -0.01 0.00 -0.00 0.00 0.00 33.47 31.25 2gum s TRP 174 CO 0.00 -0.59 0.76 -0.06 -0.00 0.00 0.00 176.95 177.06 2gum s PHE 175 N 1.45 3.32 0.66 5.86 0.40 -1.14 -2.12 117.98 126.41 2gum s PHE 175 Ca 0.04 1.05 0.05 0.00 -0.60 0.00 0.00 56.93 57.46 2gum s PHE 175 Cb -0.15 -2.97 0.12 0.00 0.51 0.00 0.00 43.02 40.52 2gum s PHE 175 CO -0.02 -0.35 0.91 0.20 0.70 0.00 0.00 175.22 176.66 2gum s GLY 176 N 1.34 1.73 0.01 4.36 0.00 0.12 -1.25 107.32 113.63 2gum s GLY 176 Ca 0.32 -2.01 -0.10 0.00 0.00 0.00 0.00 44.72 42.93 2gum s GLY 176 CO 0.08 -1.47 0.93 0.84 0.00 0.00 0.00 173.10 173.48 2gum h HIS 177 N -0.20 -0.34 -0.35 1.90 2.76 -1.99 -3.30 115.15 113.62 2gum h HIS 177 Ca -0.32 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 57.84 2gum h HIS 177 Cb 1.28 0.11 0.00 0.00 1.55 0.00 0.00 27.41 30.35 2gum h HIS 177 CO 0.10 -0.21 0.00 0.54 -1.30 0.00 0.00 177.93 177.06 2gum n ARG 178 N -3.20 2.78 -3.49 5.26 1.74 -1.26 -4.96 116.66 113.52 2gum n ARG 178 Ca -0.05 -1.67 0.00 0.00 -0.77 0.00 0.00 57.85 55.36 2gum n ARG 178 Cb 0.14 -1.73 0.01 0.00 -1.02 0.00 0.00 32.46 29.87 2gum n ARG 178 CO 0.00 0.00 0.00 2.48 -1.52 0.00 0.00 177.63 178.59 2gum n TYR 179 N 0.47 -0.72 -3.90 -1.55 0.18 -1.24 -5.17 117.16 105.24 2gum n TYR 179 Ca 0.15 -0.77 -0.11 0.00 1.88 0.00 0.00 57.90 59.05 2gum n TYR 179 Cb 0.64 0.36 -0.12 0.00 -0.38 0.00 0.00 39.34 39.84 2gum n TYR 179 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 2gum s SER 180 N -3.14 0.06 -0.05 9.48 0.15 -1.26 0.14 113.70 119.08 2gum s SER 180 Ca 0.22 -0.16 -0.04 0.00 0.70 0.00 0.00 55.95 56.67 2gum s SER 180 Cb -0.01 0.10 0.02 0.00 -1.71 0.00 0.00 66.02 64.42 2gum s SER 180 CO 0.02 -0.16 0.12 -1.58 1.20 0.00 0.00 173.24 172.84 2gum s GLN 181 N -0.66 0.13 0.23 5.44 0.74 -0.90 -4.94 119.66 119.69 2gum s GLN 181 Ca -0.07 0.21 -0.30 0.00 0.05 0.00 0.00 55.36 55.25 2gum s GLN 181 Cb -0.05 0.01 -0.09 0.00 1.10 0.00 0.00 33.01 33.99 2gum s GLN 181 CO -0.00 -0.05 1.21 -0.06 -0.55 0.00 0.00 175.29 175.84 2gum s PHE 182 N 0.31 3.39 -0.27 1.67 0.08 -1.26 -1.56 117.98 120.34 2gum s PHE 182 Ca -0.02 1.45 0.14 0.00 0.12 0.00 0.00 56.93 58.63 2gum s PHE 182 Cb -0.03 -3.46 -0.20 0.00 -0.57 0.00 0.00 43.02 38.76 2gum s PHE 182 CO -0.01 -1.24 0.43 -1.33 -0.10 0.00 0.00 175.22 172.96 2gum n MET 183 N 2.03 1.17 0.00 0.44 2.81 -0.21 -4.92 117.12 118.44 2gum n MET 183 Ca 0.03 -0.08 0.00 0.00 -1.81 0.00 0.00 57.70 55.84 2gum n MET 183 Cb 0.44 -1.28 0.00 0.00 -0.71 0.00 0.00 33.22 31.67 2gum n MET 183 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2gum n GLY 184 N 1.54 0.87 2.56 3.03 0.00 -1.22 -5.00 105.19 106.97 2gum n GLY 184 Ca -0.01 -0.58 -0.22 0.00 0.00 0.00 0.00 46.02 45.21 2gum n GLY 184 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2gum s ILE 185 N -2.00 -0.05 0.14 -0.61 1.01 -1.26 -1.71 121.20 116.71 2gum s ILE 185 Ca 0.00 -1.77 -0.31 0.00 0.00 0.00 0.00 60.65 58.57 2gum s ILE 185 Cb 0.00 -0.91 -0.09 0.00 0.01 0.00 0.00 42.46 41.47 2gum s ILE 185 CO 0.00 -0.86 1.51 0.12 0.00 0.00 0.00 174.94 175.72 2gum s PHE 186 N 0.78 3.08 -0.06 3.97 5.36 -0.81 -4.90 117.98 125.40 2gum s PHE 186 Ca 0.25 0.72 0.01 0.00 -0.96 0.00 0.00 56.93 56.94 2gum s PHE 186 Cb -0.08 -3.84 0.02 0.00 -0.34 0.00 0.00 43.02 38.77 2gum s PHE 186 CO -0.08 -3.09 -0.08 -1.21 -1.46 0.00 0.00 175.22 169.29 2gum s GLU 187 N 1.26 1.29 0.27 10.12 2.02 -1.26 -1.35 118.70 131.04 2gum s GLU 187 Ca 0.68 -0.25 0.01 0.00 0.02 0.00 0.00 54.97 55.43 2gum s GLU 187 Cb -0.41 -1.17 -0.03 0.00 0.10 0.00 0.00 34.13 32.62 2gum s GLU 187 CO 0.31 -0.06 0.27 0.34 0.02 0.00 0.00 175.26 176.14 2gum s ASP 188 N 0.92 0.80 -0.11 -0.19 2.15 -0.02 -5.02 116.67 115.20 2gum s ASP 188 Ca -0.11 -1.50 -0.00 0.00 0.43 0.00 0.00 52.55 51.37 2gum s ASP 188 Cb -0.15 0.51 0.02 0.00 -0.30 0.00 0.00 42.92 43.00 2gum s ASP 188 CO 0.01 -1.02 -0.08 -0.13 -0.17 0.00 0.00 175.17 173.78 2gum s ARG 189 N -3.72 1.54 -0.10 4.34 0.52 -1.26 -1.55 118.95 118.72 2gum s ARG 189 Ca 0.37 -0.27 -0.01 0.00 -0.52 0.00 0.00 55.73 55.31 2gum s ARG 189 Cb 0.04 -1.56 -0.03 0.00 0.52 0.00 0.00 34.95 33.92 2gum s ARG 189 CO 0.19 -0.23 -0.07 0.00 0.02 0.00 0.00 175.30 175.21 2gum s ALA 190 N 1.59 2.95 0.63 2.13 0.00 -0.02 -4.44 121.76 124.60 2gum s ALA 190 Ca 0.03 -0.87 -0.15 0.00 0.00 0.00 0.00 51.96 50.97 2gum s ALA 190 Cb -0.13 -1.32 -0.02 0.00 0.00 0.00 0.00 23.12 21.66 2gum s ALA 190 CO -0.07 0.44 1.08 -1.25 0.00 0.00 0.00 175.76 175.96 2gum s PRO 191 N -0.36 3.05 -0.26 0.00 0.04 -1.21 0.69 135.00 136.94 2gum s PRO 191 Ca 0.05 1.26 -0.10 0.00 0.04 0.00 0.00 61.00 62.25 2gum s PRO 191 Cb -0.12 -1.99 -0.05 0.00 0.04 0.00 0.00 34.50 32.38 2gum s PRO 191 CO 0.02 -1.03 0.16 0.08 0.04 0.00 0.00 177.00 176.26 2gum s VAL 192 N -2.46 5.09 0.37 -0.36 1.01 -1.15 -4.74 120.40 118.17 2gum s VAL 192 Ca 0.64 0.09 -0.25 0.00 0.00 0.00 0.00 61.98 62.46 2gum s VAL 192 Cb -0.18 -3.41 -0.12 0.00 0.00 0.00 0.00 36.38 32.68 2gum s VAL 192 CO 0.41 0.29 0.92 -2.65 0.00 0.00 0.00 175.10 174.07 2gum n PRO 193 N 4.87 1.20 -0.11 2.72 -0.02 -1.26 -4.68 135.00 137.72 2gum n PRO 193 Ca -0.15 0.43 -0.04 0.00 -2.02 0.00 0.00 63.50 61.72 2gum n PRO 193 Cb 0.52 -1.87 -0.03 0.00 -0.02 0.00 0.00 33.50 32.10 2gum n PRO 193 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 2gum h PHE 194 N 1.56 -0.59 -1.05 6.00 0.05 -1.99 -0.52 116.94 120.40 2gum h PHE 194 Ca -0.42 0.04 0.37 0.00 3.82 0.00 0.00 57.97 61.78 2gum h PHE 194 Cb 1.35 0.29 -0.16 0.00 2.00 0.00 0.00 35.95 39.44 2gum h PHE 194 CO 0.44 -0.13 0.61 1.05 -0.18 0.00 0.00 178.31 180.09 2gum h GLU 195 N -0.04 0.16 0.00 1.51 -0.00 -1.99 0.25 114.58 114.48 2gum h GLU 195 Ca 0.04 -0.01 -0.06 0.00 -0.00 0.00 0.00 59.36 59.33 2gum h GLU 195 Cb 0.15 -0.04 -0.01 0.00 -0.00 0.00 0.00 28.75 28.85 2gum h GLU 195 CO -0.27 0.11 -0.28 1.49 -0.00 0.00 0.00 179.01 180.06 2gum h GLU 196 N 0.17 0.00 0.17 1.06 4.81 -1.45 0.10 114.58 119.43 2gum h GLU 196 Ca 0.79 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 59.80 2gum h GLU 196 Cb 2.03 0.00 0.03 0.00 0.63 0.00 0.00 28.75 31.43 2gum h GLU 196 CO -0.63 0.28 -0.97 0.28 -0.73 0.00 0.00 179.01 177.24 2gum h VAL 197 N 0.00 1.46 0.06 0.32 2.07 -0.07 -0.03 116.25 120.06 2gum h VAL 197 Ca -0.00 -2.57 -0.00 0.00 0.82 0.00 0.00 66.70 64.94 2gum h VAL 197 Cb 1.01 3.17 0.00 0.00 -1.52 0.00 0.00 31.29 33.95 2gum h VAL 197 CO 0.04 0.74 -0.03 0.40 0.02 0.00 0.00 177.57 178.73 2gum h ILE 198 N -0.26 0.00 -0.30 4.57 1.08 -1.10 1.53 117.51 123.03 2gum h ILE 198 Ca -0.17 -0.02 -0.15 0.00 -0.39 0.00 0.00 64.86 64.14 2gum h ILE 198 Cb 1.76 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 35.50 2gum h ILE 198 CO 0.18 0.00 -0.41 0.44 -0.69 0.00 0.00 178.15 177.67 2gum h ASP 199 N -0.10 0.79 0.00 1.72 3.32 -0.99 -1.45 116.42 119.71 2gum h ASP 199 Ca -0.01 -0.36 -0.36 0.00 0.02 0.00 0.00 57.03 56.32 2gum h ASP 199 Cb 0.07 -0.22 -0.05 0.00 0.22 0.00 0.00 39.33 39.34 2gum h ASP 199 CO 0.01 1.09 -2.06 0.29 -1.72 0.00 0.00 179.24 176.86 2gum n LYS 200 N -4.04 0.57 -0.01 3.56 4.76 -0.90 -3.75 118.16 118.36 2gum n LYS 200 Ca -0.02 0.34 -0.07 0.00 -2.87 0.00 0.00 58.31 55.69 2gum n LYS 200 Cb 0.54 -1.55 -0.05 0.00 -1.84 0.00 0.00 35.03 32.13 2gum n LYS 200 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 2gum h ILE 201 N -1.00 0.63 -0.11 -0.18 2.04 -0.75 0.15 117.51 118.29 2gum h ILE 201 Ca -0.54 -1.31 -0.12 0.00 1.00 0.00 0.00 64.86 63.89 2gum h ILE 201 Cb 1.46 1.15 -0.01 0.00 -0.74 0.00 0.00 36.82 38.68 2gum h ILE 201 CO -0.33 0.20 -0.46 -1.13 0.00 0.00 0.00 178.15 176.43 2gum h ASN 202 N -0.98 0.29 0.48 1.72 -1.24 0.21 -0.81 115.58 115.24 2gum h ASN 202 Ca -0.01 -0.13 -0.24 0.00 0.71 0.00 0.00 56.30 56.63 2gum h ASN 202 Cb 0.41 -0.08 -0.04 0.00 0.73 0.00 0.00 38.32 39.34 2gum h ASN 202 CO 0.02 0.71 -1.70 0.00 -1.29 0.00 0.00 177.43 175.17 2gum n ALA 203 N -2.48 1.73 0.00 1.57 0.00 -0.54 -4.41 120.51 116.38 2gum n ALA 203 Ca -0.02 -0.75 0.00 0.00 0.00 0.00 0.00 53.44 52.67 2gum n ALA 203 Cb 0.52 -0.79 0.00 0.00 0.00 0.00 0.00 19.45 19.18 2gum n ALA 203 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2gum n LYS 204 N -2.90 2.34 -1.90 0.00 5.02 -0.56 -4.98 118.16 115.17 2gum n LYS 204 Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.13 2gum n LYS 204 Cb 0.96 -0.88 0.00 0.00 -0.02 0.00 0.00 35.03 35.09 2gum n LYS 204 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2gum n GLY 205 N 2.21 0.70 3.19 0.72 0.00 0.41 -4.98 105.19 107.44 2gum n GLY 205 Ca 0.00 -0.72 -0.11 0.00 0.00 0.00 0.00 46.02 45.18 2gum n GLY 205 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2gum s VAL 206 N -2.28 0.25 -0.00 1.61 -7.23 -0.54 -3.56 120.40 108.65 2gum s VAL 206 Ca 0.00 -1.95 -0.15 0.00 -1.81 0.00 0.00 61.98 58.07 2gum s VAL 206 Cb 0.00 -2.18 0.02 0.00 0.56 0.00 0.00 36.38 34.78 2gum s VAL 206 CO 0.00 -0.36 0.32 0.00 -0.31 0.00 0.00 175.10 174.75 2gum s ARG 208 N -1.57 3.63 -0.04 0.00 0.52 -1.26 0.80 118.95 121.03 2gum s ARG 208 Ca -0.12 1.83 0.04 0.00 -0.52 0.00 0.00 55.73 56.96 2gum s ARG 208 Cb -0.04 -2.35 0.20 0.00 0.52 0.00 0.00 34.95 33.28 2gum s ARG 208 CO 0.03 -0.68 0.92 -1.13 0.02 0.00 0.00 175.30 174.46 2gum n SER 209 N -0.64 1.89 -4.26 0.23 3.41 0.14 -4.82 113.62 109.57 2gum n SER 209 Ca 0.08 -2.17 -0.14 0.00 -0.26 0.00 0.00 58.87 56.38 2gum n SER 209 Cb 0.48 -0.43 -0.10 0.00 -0.26 0.00 0.00 64.21 63.90 2gum n SER 209 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2gum s THR 210 N -1.54 0.95 -0.00 6.66 -4.23 -1.26 -0.40 115.64 115.81 2gum s THR 210 Ca 0.14 -2.02 0.01 0.00 -1.18 0.00 0.00 61.69 58.64 2gum s THR 210 Cb 0.10 -2.04 -0.00 0.00 1.34 0.00 0.00 72.50 71.89 2gum s THR 210 CO 0.05 -0.57 -0.04 0.00 -0.54 0.00 0.00 174.62 173.53 2gum s ALA 211 N -3.47 0.31 -0.09 3.99 0.00 0.06 -4.97 121.76 117.59 2gum s ALA 211 Ca 0.21 -0.15 -0.03 0.00 0.00 0.00 0.00 51.96 51.99 2gum s ALA 211 Cb 0.05 -0.09 0.05 0.00 0.00 0.00 0.00 23.12 23.12 2gum s ALA 211 CO 0.03 0.07 0.11 0.21 0.00 0.00 0.00 175.76 176.18 2gum s LYS 212 N -0.05 0.00 0.31 0.00 2.20 -1.26 -0.32 119.74 120.63 2gum s LYS 212 Ca 0.01 0.34 -0.14 0.00 -0.36 0.00 0.00 55.97 55.83 2gum s LYS 212 Cb -0.02 -0.72 0.02 0.00 -1.51 0.00 0.00 37.83 35.60 2gum s LYS 212 CO -0.00 -0.41 0.62 1.52 -0.36 0.00 0.00 175.35 176.72 2gum s TYR 213 N 2.22 0.30 -0.43 4.03 -0.85 -1.07 -4.96 117.35 116.58 2gum s TYR 213 Ca 0.04 -0.74 -0.18 0.00 -0.52 0.00 0.00 57.07 55.67 2gum s TYR 213 Cb -0.13 0.43 0.03 0.00 0.38 0.00 0.00 41.96 42.67 2gum s TYR 213 CO -0.06 -1.23 0.46 0.54 -1.52 0.00 0.00 175.55 173.75 2gum s VAL 214 N -3.36 5.06 -0.20 -3.49 0.11 -1.26 -2.01 120.40 115.24 2gum s VAL 214 Ca 0.19 -0.36 0.01 0.00 -2.93 0.00 0.00 61.98 58.90 2gum s VAL 214 Cb -0.03 -4.08 0.04 0.00 -1.53 0.00 0.00 36.38 30.78 2gum s VAL 214 CO 0.11 -0.47 -0.15 -0.60 -3.33 0.00 0.00 175.10 170.66 2gum s ARG 215 N 2.20 2.51 -1.27 1.54 6.06 -0.08 -4.75 118.95 125.16 2gum s ARG 215 Ca 0.13 -0.94 -0.04 0.00 -2.50 0.00 0.00 55.73 52.38 2gum s ARG 215 Cb -0.17 -2.57 0.01 0.00 0.06 0.00 0.00 34.95 32.27 2gum s ARG 215 CO 0.14 -0.36 1.07 0.09 -2.50 0.00 0.00 175.30 173.74 2gum n ASN 216 N 4.60 -3.79 -2.54 -2.12 3.02 -1.26 -2.59 115.26 110.58 2gum n ASN 216 Ca -0.17 -0.59 -0.20 0.00 -0.03 0.00 0.00 54.58 53.58 2gum n ASN 216 Cb 0.47 -5.06 0.01 0.00 -0.61 0.00 0.00 39.78 34.59 2gum n ASN 216 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2gum n ASN 217 N -3.08 -5.75 -3.86 6.41 5.03 -1.26 -4.99 115.26 107.76 2gum n ASN 217 Ca -0.17 -0.15 -0.12 0.00 0.87 0.00 0.00 54.58 55.02 2gum n ASN 217 Cb 0.62 -4.68 -0.12 0.00 -1.02 0.00 0.00 39.78 34.59 2gum n ASN 217 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 2gum s LEU 218 N -5.96 1.64 -0.79 3.41 2.96 -1.07 -5.10 118.68 113.77 2gum s LEU 218 Ca 0.14 0.07 -0.18 0.00 -0.22 0.00 0.00 54.13 53.94 2gum s LEU 218 Cb -0.06 0.40 0.14 0.00 0.50 0.00 0.00 46.19 47.17 2gum s LEU 218 CO 0.18 -0.12 0.91 -0.70 -1.32 0.00 0.00 176.35 175.29 2gum s GLU 219 N -0.36 3.41 0.53 1.98 2.12 -1.26 -0.90 118.70 124.22 2gum s GLU 219 Ca -0.04 -1.74 -0.07 0.00 0.36 0.00 0.00 54.97 53.48 2gum s GLU 219 Cb -0.03 -4.57 -0.03 0.00 0.26 0.00 0.00 34.13 29.77 2gum s GLU 219 CO 0.00 -1.59 0.86 -0.08 -0.54 0.00 0.00 175.26 173.91 2gum s THR 220 N 2.17 4.63 -0.11 -1.70 -1.32 -0.85 -4.90 115.64 113.56 2gum s THR 220 Ca 0.22 0.31 -0.06 0.00 -1.21 0.00 0.00 61.69 60.96 2gum s THR 220 Cb -0.12 -3.79 0.04 0.00 -1.51 0.00 0.00 72.50 67.12 2gum s THR 220 CO -0.04 -0.84 0.25 -0.89 -2.21 0.00 0.00 174.62 170.89 2gum s THR 221 N -2.89 -0.03 0.01 5.08 2.01 -1.26 -2.60 115.64 115.96 2gum s THR 221 Ca 0.50 0.13 0.04 0.00 0.31 0.00 0.00 61.69 62.67 2gum s THR 221 Cb -0.10 -0.39 -0.02 0.00 0.01 0.00 0.00 72.50 72.00 2gum s THR 221 CO 0.47 0.05 -0.14 0.00 -0.69 0.00 0.00 174.62 174.32 2gum s ALA 222 N 1.13 1.13 -0.16 7.40 0.00 0.57 -4.96 121.76 126.87 2gum s ALA 222 Ca -0.08 -0.69 -0.01 0.00 0.00 0.00 0.00 51.96 51.18 2gum s ALA 222 Cb -0.09 -0.23 -0.01 0.00 0.00 0.00 0.00 23.12 22.78 2gum s ALA 222 CO -0.08 0.25 -0.11 -0.06 0.00 0.00 0.00 175.76 175.76 2gum s PHE 223 N -0.56 2.85 0.33 0.00 0.40 -1.26 -0.76 117.98 118.97 2gum s PHE 223 Ca 0.03 -0.82 -0.29 0.00 -0.60 0.00 0.00 56.93 55.25 2gum s PHE 223 Cb -0.06 -1.92 -0.12 0.00 0.51 0.00 0.00 43.02 41.42 2gum s PHE 223 CO 0.00 -0.36 1.45 1.58 0.70 0.00 0.00 175.22 178.59 2gum n HIS 224 N 3.98 2.64 -0.39 0.36 -0.00 0.46 -0.26 115.22 122.00 2gum n HIS 224 Ca -0.18 0.43 0.00 0.00 -0.00 0.00 0.00 57.72 57.96 2gum n HIS 224 Cb 0.52 -2.51 0.00 0.00 -0.00 0.00 0.00 29.99 28.00 2gum n HIS 224 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 2gum n ARG 225 N 1.14 0.00 -2.58 1.57 5.12 -1.00 -1.86 116.66 119.05 2gum n ARG 225 Ca 0.06 0.00 -0.14 0.00 -1.93 0.00 0.00 57.85 55.84 2gum n ARG 225 Cb 0.36 -4.31 0.01 0.00 -1.16 0.00 0.00 32.46 27.37 2gum n ARG 225 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 2gum n ASP 226 N 0.00 -4.38 -3.59 0.55 9.92 0.64 -4.85 116.55 114.84 2gum n ASP 226 Ca 0.00 -0.13 -0.14 0.00 -0.53 0.00 0.00 54.79 53.99 2gum n ASP 226 Cb 0.00 -3.35 0.01 0.00 -0.64 0.00 0.00 41.12 37.13 2gum n ASP 226 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 2gum n ASP 227 N -0.84 1.86 -4.78 -2.24 10.43 -0.78 -5.03 116.55 115.18 2gum n ASP 227 Ca -0.10 -2.03 -0.35 0.00 2.57 0.00 0.00 54.79 54.89 2gum n ASP 227 Cb 0.59 -0.05 0.00 0.00 1.84 0.00 0.00 41.12 43.50 2gum n ASP 227 CO 0.00 0.00 0.00 -1.00 -1.07 0.00 0.00 177.20 175.13 2gum s HIS 228 N -1.44 2.70 0.19 1.24 3.76 -1.26 -4.69 115.29 115.78 2gum s HIS 228 Ca 0.20 1.55 -0.33 0.00 -0.15 0.00 0.00 55.06 56.32 2gum s HIS 228 Cb -0.02 -3.25 -0.13 0.00 1.11 0.00 0.00 32.58 30.30 2gum s HIS 228 CO 0.13 -1.51 1.62 -1.91 -0.85 0.00 0.00 174.74 172.21 2gum n GLU 229 N -1.43 2.37 -3.98 1.40 2.13 -1.26 -4.98 120.64 114.89 2gum n GLU 229 Ca 0.11 0.85 -0.09 0.00 0.66 0.00 0.00 57.16 58.69 2gum n GLU 229 Cb 0.51 -2.64 -0.11 0.00 0.27 0.00 0.00 31.44 29.47 2gum n GLU 229 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 2gum s THR 230 N 0.90 0.11 0.15 6.31 2.01 -1.26 -4.97 115.64 118.89 2gum s THR 230 Ca 0.76 -0.94 -0.20 0.00 0.31 0.00 0.00 61.69 61.63 2gum s THR 230 Cb -0.61 -0.30 -0.07 0.00 0.01 0.00 0.00 72.50 71.52 2gum s THR 230 CO 0.37 -0.51 0.66 -1.81 -0.69 0.00 0.00 174.62 172.64 2gum s ASP 231 N -1.50 7.10 0.15 3.53 -0.00 -1.26 0.26 116.67 124.94 2gum s ASP 231 Ca -0.15 1.37 0.09 0.00 -0.00 0.00 0.00 52.55 53.85 2gum s ASP 231 Cb -0.09 -2.40 -0.04 0.00 -0.00 0.00 0.00 42.92 40.39 2gum s ASP 231 CO -0.01 0.16 -0.20 -0.04 -0.00 0.00 0.00 175.17 175.08 2gum s MET 232 N -1.52 1.26 -0.29 8.23 -1.94 0.24 -4.89 119.30 120.39 2gum s MET 232 Ca 0.36 -1.35 -0.29 0.00 -1.71 0.00 0.00 55.69 52.70 2gum s MET 232 Cb -0.19 -1.40 -0.00 0.00 2.01 0.00 0.00 34.83 35.25 2gum s MET 232 CO 0.21 0.30 1.31 -2.00 -0.01 0.00 0.00 175.02 174.83 2gum s GLU 233 N -2.54 3.94 -0.59 2.03 2.56 -1.26 -2.24 118.70 120.59 2gum s GLU 233 Ca 0.14 1.30 -0.28 0.00 0.00 0.00 0.00 54.97 56.12 2gum s GLU 233 Cb -0.07 -3.87 0.03 0.00 2.00 0.00 0.00 34.13 32.22 2gum s GLU 233 CO 0.06 -1.09 1.18 -0.51 -0.56 0.00 0.00 175.26 174.34 2gum s LEU 234 N 4.33 3.47 -0.03 2.70 1.43 -1.23 -4.48 118.68 124.86 2gum s LEU 234 Ca 0.57 0.02 -0.02 0.00 -1.03 0.00 0.00 54.13 53.66 2gum s LEU 234 Cb -0.17 -3.08 -0.04 0.00 0.03 0.00 0.00 46.19 42.93 2gum s LEU 234 CO 0.23 -1.50 0.11 -1.59 0.23 0.00 0.00 176.35 173.82 2gum s LYS 235 N 4.96 3.20 0.42 1.70 -2.85 0.77 -4.79 119.74 123.15 2gum s LYS 235 Ca 0.41 -0.39 -0.23 0.00 -1.00 0.00 0.00 55.97 54.76 2gum s LYS 235 Cb -0.08 -2.96 -0.11 0.00 -2.06 0.00 0.00 37.83 32.62 2gum s LYS 235 CO 0.24 0.68 0.82 -2.30 0.10 0.00 0.00 175.35 174.89 2gum n PRO 236 N 1.33 1.00 -0.95 1.78 -0.02 -1.26 -1.78 135.00 135.09 2gum n PRO 236 Ca -0.14 0.36 -0.29 0.00 -2.02 0.00 0.00 63.50 61.41 2gum n PRO 236 Cb 0.53 -1.82 0.18 0.00 -0.02 0.00 0.00 33.50 32.37 2gum n PRO 236 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2gum s ALA 237 N -1.35 0.90 0.32 3.55 0.00 0.14 -4.76 121.76 120.57 2gum s ALA 237 Ca 0.64 -0.03 -0.28 0.00 0.00 0.00 0.00 51.96 52.29 2gum s ALA 237 Cb -0.58 -3.23 -0.09 0.00 0.00 0.00 0.00 23.12 19.21 2gum s ALA 237 CO 0.57 -2.88 1.15 -0.80 0.00 0.00 0.00 175.76 173.79 2gum s ASN 238 N -3.07 6.99 0.49 0.00 0.01 -1.26 -4.94 114.94 113.15 2gum s ASN 238 Ca 0.65 2.34 -0.22 0.00 -0.71 0.00 0.00 52.86 54.93 2gum s ASN 238 Cb -0.21 -2.62 -0.09 0.00 0.41 0.00 0.00 41.25 38.74 2gum s ASN 238 CO 0.59 -0.35 0.97 0.00 -1.51 0.00 0.00 177.10 176.81 2gum n ALA 239 N 0.79 0.15 -3.65 0.60 0.00 -1.26 -5.03 120.51 112.10 2gum n ALA 239 Ca 0.01 0.15 -0.06 0.00 0.00 0.00 0.00 53.44 53.54 2gum n ALA 239 Cb 0.45 -2.08 -0.07 0.00 0.00 0.00 0.00 19.45 17.75 2gum n ALA 239 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gum s ALA 240 N -1.38 -1.82 0.77 0.00 0.00 -1.26 -5.16 121.76 112.91 2gum s ALA 240 Ca 0.67 2.27 -0.15 0.00 0.00 0.00 0.00 51.96 54.76 2gum s ALA 240 Cb -0.50 -1.49 0.03 0.00 0.00 0.00 0.00 23.12 21.15 2gum s ALA 240 CO 0.54 -0.56 0.92 0.25 0.00 0.00 0.00 175.76 176.91 2gum n THR 241 N 4.73 2.16 -4.04 0.00 -2.24 -1.26 -3.37 114.28 110.25 2gum n THR 241 Ca -0.17 -0.31 -0.31 0.00 -2.27 0.00 0.00 64.05 60.99 2gum n THR 241 Cb 0.55 -1.03 -0.05 0.00 -2.10 0.00 0.00 70.33 67.69 2gum n THR 241 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2gum n ARG 242 N -2.11 -0.76 -3.94 -0.78 1.74 -1.26 -4.94 116.66 104.62 2gum n ARG 242 Ca 0.12 0.04 -0.10 0.00 -0.77 0.00 0.00 57.85 57.14 2gum n ARG 242 Cb 0.50 -2.70 -0.12 0.00 -1.02 0.00 0.00 32.46 29.12 2gum n ARG 242 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2gum s THR 243 N -4.05 0.07 1.23 0.55 -4.23 -1.22 -5.16 115.64 102.83 2gum s THR 243 Ca 0.13 -0.57 -0.20 0.00 -1.18 0.00 0.00 61.69 59.87 2gum s THR 243 Cb -0.07 -0.17 0.30 0.00 1.34 0.00 0.00 72.50 73.90 2gum s THR 243 CO 0.84 -0.31 1.11 -0.94 -0.54 0.00 0.00 174.62 174.78 2gum s SER 244 N -0.92 0.71 0.27 3.99 1.04 -1.26 -4.97 113.70 112.56 2gum s SER 244 Ca -0.10 0.58 -0.23 0.00 0.48 0.00 0.00 55.95 56.68 2gum s SER 244 Cb -0.06 -0.78 -0.09 0.00 0.10 0.00 0.00 66.02 65.19 2gum s SER 244 CO -0.01 -4.25 0.84 -0.13 0.98 0.00 0.00 173.24 170.68 2gum s ARG 245 N -5.45 4.43 0.02 4.02 0.52 -1.26 -4.96 118.95 116.28 2gum s ARG 245 Ca 0.71 1.12 -0.05 0.00 -0.52 0.00 0.00 55.73 56.99 2gum s ARG 245 Cb -0.09 -2.85 -0.01 0.00 0.52 0.00 0.00 34.95 32.52 2gum s ARG 245 CO 0.56 0.34 0.08 0.20 0.02 0.00 0.00 175.30 176.50 2gum s GLY 246 N -1.62 0.16 0.01 -3.53 0.00 -1.26 -1.88 107.32 99.19 2gum s GLY 246 Ca 0.47 -0.45 0.00 0.00 0.00 0.00 0.00 44.72 44.74 2gum s GLY 246 CO 0.23 -0.57 -0.02 -0.98 0.00 0.00 0.00 173.10 171.76 2gum s TRP 247 N -2.01 0.16 0.25 1.90 0.51 -0.24 0.24 118.94 119.75 2gum s TRP 247 Ca -0.10 -0.25 -0.06 0.00 -2.12 0.00 0.00 56.10 53.57 2gum s TRP 247 Cb -0.05 -0.11 -0.02 0.00 -0.81 0.00 0.00 33.47 32.48 2gum s TRP 247 CO -0.02 -0.08 0.35 -3.38 -0.51 0.00 0.00 176.95 173.30 2gum s HIS 248 N -0.68 0.84 0.00 -1.98 -3.43 -0.73 -0.90 115.29 108.41 2gum s HIS 248 Ca -0.07 -1.11 0.00 0.00 -0.80 0.00 0.00 55.06 53.08 2gum s HIS 248 Cb -0.05 -0.17 0.00 0.00 -1.43 0.00 0.00 32.58 30.94 2gum s HIS 248 CO -0.00 -0.90 0.00 0.25 -2.00 0.00 0.00 174.74 172.09 2gum n THR 249 N -0.39 0.00 -1.53 -5.38 -2.24 -0.87 -0.17 114.28 103.70 2gum n THR 249 Ca 0.01 0.38 -0.30 0.00 -2.27 0.00 0.00 64.05 61.86 2gum n THR 249 Cb 0.63 -1.37 0.23 0.00 -2.10 0.00 0.00 70.33 67.72 2gum n THR 249 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 2gum n THR 250 N -2.24 0.00 -1.69 4.28 -1.04 -1.26 -4.73 114.28 107.59 2gum n THR 250 Ca 0.00 -0.76 0.00 0.00 -2.04 0.00 0.00 64.05 61.25 2gum n THR 250 Cb 0.00 -1.38 0.00 0.00 -1.82 0.00 0.00 70.33 67.13 2gum n THR 250 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 2gum n ASP 251 N -4.36 0.00 -4.30 8.00 5.75 -1.26 -4.99 116.55 115.39 2gum n ASP 251 Ca 0.16 -0.96 -0.16 0.00 -0.01 0.00 0.00 54.79 53.82 2gum n ASP 251 Cb 0.59 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 40.58 2gum n ASP 251 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2gum s LEU 252 N 0.00 2.13 -0.20 -2.12 1.43 -1.26 -5.14 118.68 113.52 2gum s LEU 252 Ca 0.00 -1.22 -0.06 0.00 -1.03 0.00 0.00 54.13 51.82 2gum s LEU 252 Cb 0.00 -0.19 -0.03 0.00 0.03 0.00 0.00 46.19 46.00 2gum s LEU 252 CO 0.00 -0.54 0.03 -0.54 0.23 0.00 0.00 176.35 175.53 2gum s LYS 253 N -3.89 3.77 -0.17 1.70 -0.14 -1.26 -4.92 119.74 114.82 2gum s LYS 253 Ca 0.28 -0.44 -0.25 0.00 -1.36 0.00 0.00 55.97 54.19 2gum s LYS 253 Cb 0.06 -3.16 -0.01 0.00 -1.68 0.00 0.00 37.83 33.03 2gum s LYS 253 CO 0.08 0.10 0.84 -0.47 -0.76 0.00 0.00 175.35 175.14 2gum s TYR 254 N 0.81 3.41 -0.05 3.18 5.04 -1.26 -5.04 117.35 123.44 2gum s TYR 254 Ca 0.02 1.26 0.06 0.00 -2.44 0.00 0.00 57.07 55.98 2gum s TYR 254 Cb -0.14 -3.03 -0.01 0.00 0.35 0.00 0.00 41.96 39.13 2gum s TYR 254 CO 0.02 -0.26 -0.24 -0.80 -1.34 0.00 0.00 175.55 172.93 2gum s ASN 255 N 1.17 2.98 0.34 4.32 0.01 -1.26 -4.06 114.94 118.44 2gum s ASN 255 Ca 0.38 -0.50 -0.24 0.00 -0.71 0.00 0.00 52.86 51.79 2gum s ASN 255 Cb -0.16 -0.80 -0.15 0.00 0.41 0.00 0.00 41.25 40.55 2gum s ASN 255 CO 0.12 0.24 0.50 -2.65 -1.51 0.00 0.00 177.10 173.80 2gum n PRO 256 N 2.94 0.39 -2.27 -0.60 -0.02 -1.26 -4.90 135.00 129.27 2gum n PRO 256 Ca -0.17 0.14 -0.39 0.00 -2.02 0.00 0.00 63.50 61.06 2gum n PRO 256 Cb 0.52 -1.30 -0.02 0.00 -0.02 0.00 0.00 33.50 32.68 2gum n PRO 256 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2gum s SER 257 N -0.92 6.59 0.26 2.55 0.15 -1.26 -4.93 113.70 116.14 2gum s SER 257 Ca 0.62 2.40 -0.31 0.00 0.70 0.00 0.00 55.95 59.36 2gum s SER 257 Cb -0.72 -2.62 -0.12 0.00 -1.71 0.00 0.00 66.02 60.85 2gum s SER 257 CO 0.59 -0.63 1.64 -1.14 1.20 0.00 0.00 173.24 174.89 2gum n ARG 258 N 0.24 2.70 -3.18 5.44 0.63 -1.26 -4.95 116.66 116.28 2gum n ARG 258 Ca 0.03 0.96 -0.21 0.00 -0.92 0.00 0.00 57.85 57.71 2gum n ARG 258 Cb 0.46 -2.77 -0.06 0.00 0.45 0.00 0.00 32.46 30.54 2gum n ARG 258 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 2gum n VAL 259 N 2.79 -0.76 -0.74 5.15 0.31 -1.26 -5.13 118.33 118.69 2gum n VAL 259 Ca 0.11 -3.19 -0.26 0.00 -0.01 0.00 0.00 64.34 61.00 2gum n VAL 259 Cb 0.36 -1.16 -0.02 0.00 -0.91 0.00 0.00 33.84 32.11 2gum n VAL 259 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2gum n GLU 260 N 2.17 0.00 -1.01 5.55 2.13 -1.26 -2.19 120.64 126.03 2gum n GLU 260 Ca 0.23 0.00 -0.00 0.00 0.66 0.00 0.00 57.16 58.05 2gum n GLU 260 Cb 0.52 -0.55 -0.00 0.00 0.27 0.00 0.00 31.44 31.68 2gum n GLU 260 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2gum n ALA 261 N 0.06 -0.00 -2.16 4.31 0.00 -0.38 -4.99 120.51 117.34 2gum n ALA 261 Ca 0.10 0.01 -0.10 0.00 0.00 0.00 0.00 53.44 53.44 2gum n ALA 261 Cb 0.13 -0.40 -0.10 0.00 0.00 0.00 0.00 19.45 19.07 2gum n ALA 261 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2gum s PHE 262 N -1.78 0.85 -0.09 0.00 0.40 -0.93 -5.00 117.98 111.44 2gum s PHE 262 Ca 0.00 -0.99 -0.11 0.00 -0.60 0.00 0.00 56.93 55.24 2gum s PHE 262 Cb 0.00 -0.51 -0.05 0.00 0.51 0.00 0.00 43.02 42.97 2gum s PHE 262 CO 0.00 -0.24 0.26 -1.01 0.70 0.00 0.00 175.22 174.93 2gum s HIS 263 N -3.72 3.62 -0.02 0.36 3.76 -1.26 -2.89 115.29 115.13 2gum s HIS 263 Ca 0.13 0.69 -0.02 0.00 -0.15 0.00 0.00 55.06 55.71 2gum s HIS 263 Cb 0.06 -2.13 0.00 0.00 1.11 0.00 0.00 32.58 31.62 2gum s HIS 263 CO -0.04 0.61 0.06 1.03 -0.85 0.00 0.00 174.74 175.55 2gum s ARG 264 N -0.77 0.14 -0.17 1.40 0.52 -0.49 -4.97 118.95 114.60 2gum s ARG 264 Ca 0.18 -0.03 -0.03 0.00 -0.52 0.00 0.00 55.73 55.33 2gum s ARG 264 Cb -0.14 0.06 -0.02 0.00 0.52 0.00 0.00 34.95 35.37 2gum s ARG 264 CO 0.07 -0.02 -0.05 0.71 0.02 0.00 0.00 175.30 176.03 2gum s TYR 265 N -0.26 2.97 -0.05 -0.53 1.51 -1.26 -1.04 117.35 118.69 2gum s TYR 265 Ca -0.03 -0.50 0.06 0.00 -1.01 0.00 0.00 57.07 55.59 2gum s TYR 265 Cb -0.02 -1.98 -0.01 0.00 -0.11 0.00 0.00 41.96 39.84 2gum s TYR 265 CO 0.00 -0.19 -0.24 0.20 -1.11 0.00 0.00 175.55 174.21 2gum s GLY 266 N 0.64 1.24 0.24 0.71 0.00 -0.61 -4.71 107.32 104.84 2gum s GLY 266 Ca -0.03 -1.02 0.05 0.00 0.00 0.00 0.00 44.72 43.72 2gum s GLY 266 CO 0.02 -0.68 0.35 -1.59 0.00 0.00 0.00 173.10 171.20 2gum s THR 267 N -0.24 5.15 -0.02 0.90 2.01 -1.26 -0.86 115.64 121.32 2gum s THR 267 Ca -0.00 -1.03 -0.11 0.00 0.31 0.00 0.00 61.69 60.85 2gum s THR 267 Cb -0.13 -3.80 0.01 0.00 0.01 0.00 0.00 72.50 68.60 2gum s THR 267 CO 0.02 -0.33 0.23 -0.89 -0.69 0.00 0.00 174.62 172.97 2gum s THR 268 N -2.00 0.06 -0.20 -0.82 2.01 0.15 -2.37 115.64 112.47 2gum s THR 268 Ca 0.34 -0.48 -0.04 0.00 0.31 0.00 0.00 61.69 61.82 2gum s THR 268 Cb -0.09 -0.50 0.10 0.00 0.01 0.00 0.00 72.50 72.02 2gum s THR 268 CO 0.29 -0.27 0.30 -0.69 -0.69 0.00 0.00 174.62 173.56 2gum s VAL 269 N -1.11 -0.46 -0.36 3.82 1.01 -1.26 -1.86 120.40 120.18 2gum s VAL 269 Ca -0.12 0.02 0.02 0.00 0.00 0.00 0.00 61.98 61.90 2gum s VAL 269 Cb -0.06 -0.66 0.10 0.00 0.00 0.00 0.00 36.38 35.76 2gum s VAL 269 CO 0.03 -0.08 0.09 0.21 0.00 0.00 0.00 175.10 175.34 2gum s ASN 270 N 2.44 4.89 0.04 3.32 2.47 -1.04 -4.52 114.94 122.54 2gum s ASN 270 Ca 0.07 -2.11 -0.30 0.00 0.42 0.00 0.00 52.86 50.93 2gum s ASN 270 Cb -0.14 -1.68 -0.08 0.00 -1.45 0.00 0.00 41.25 37.89 2gum s ASN 270 CO -0.12 -0.42 1.76 0.00 -3.72 0.00 0.00 177.10 174.60 2gum s ILE 272 N 3.46 1.56 -0.10 0.00 1.01 0.11 -2.06 121.20 125.18 2gum s ILE 272 Ca 0.79 -0.74 0.04 0.00 0.00 0.00 0.00 60.65 60.73 2gum s ILE 272 Cb -0.40 -1.37 0.00 0.00 0.01 0.00 0.00 42.46 40.70 2gum s ILE 272 CO 0.35 0.45 -0.22 -0.69 0.00 0.00 0.00 174.94 174.82 2gum s VAL 273 N 0.41 1.93 -0.02 2.92 1.01 -0.07 -1.30 120.40 125.29 2gum s VAL 273 Ca -0.14 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 60.92 2gum s VAL 273 Cb -0.16 -1.68 0.00 0.00 0.00 0.00 0.00 36.38 34.55 2gum s VAL 273 CO 0.05 0.53 -0.05 -1.61 0.00 0.00 0.00 175.10 174.03 2gum s GLU 274 N 0.45 0.51 -0.11 2.72 2.02 0.30 -1.08 118.70 123.51 2gum s GLU 274 Ca -0.17 -0.15 -0.21 0.00 0.02 0.00 0.00 54.97 54.46 2gum s GLU 274 Cb -0.17 -0.52 -0.04 0.00 0.10 0.00 0.00 34.13 33.50 2gum s GLU 274 CO 0.07 0.05 0.62 -1.21 0.02 0.00 0.00 175.26 174.81 2gum s GLU 275 N 0.22 4.36 0.05 1.61 2.02 -0.79 0.90 118.70 127.08 2gum s GLU 275 Ca -0.02 0.70 -0.06 0.00 0.02 0.00 0.00 54.97 55.60 2gum s GLU 275 Cb -0.06 -3.47 -0.01 0.00 0.10 0.00 0.00 34.13 30.68 2gum s GLU 275 CO -0.00 0.02 0.11 0.14 0.02 0.00 0.00 175.26 175.55 2gum s VAL 276 N 1.00 0.15 0.36 2.63 -7.23 0.60 -4.25 120.40 113.66 2gum s VAL 276 Ca 0.32 -1.22 -0.25 0.00 -1.81 0.00 0.00 61.98 59.02 2gum s VAL 276 Cb -0.16 -1.13 -0.09 0.00 0.56 0.00 0.00 36.38 35.55 2gum s VAL 276 CO 0.14 -0.67 1.01 -1.81 -0.31 0.00 0.00 175.10 173.46 2gum s ASP 277 N -2.47 7.03 -0.02 4.85 1.01 -1.26 -1.57 116.67 124.23 2gum s ASP 277 Ca -0.00 1.97 0.07 0.00 0.71 0.00 0.00 52.55 55.31 2gum s ASP 277 Cb 0.02 -2.59 -0.02 0.00 1.01 0.00 0.00 42.92 41.35 2gum s ASP 277 CO -0.07 -0.30 -0.25 0.00 0.21 0.00 0.00 175.17 174.76 2gum s ALA 278 N -1.61 2.04 0.00 5.23 0.00 0.67 -2.08 121.76 126.01 2gum s ALA 278 Ca 0.54 -1.06 0.03 0.00 0.00 0.00 0.00 51.96 51.47 2gum s ALA 278 Cb -0.21 -0.53 -0.01 0.00 0.00 0.00 0.00 23.12 22.37 2gum s ALA 278 CO 0.27 0.50 -0.10 1.03 0.00 0.00 0.00 175.76 177.46 2gum s ARG 279 N -0.55 0.76 -0.11 0.00 0.52 -0.67 -1.73 118.95 117.17 2gum s ARG 279 Ca 0.09 -0.42 -0.09 0.00 -0.52 0.00 0.00 55.73 54.78 2gum s ARG 279 Cb -0.10 -0.73 0.03 0.00 0.52 0.00 0.00 34.95 34.68 2gum s ARG 279 CO -0.01 0.19 0.28 0.45 0.02 0.00 0.00 175.30 176.24 2gum s SER 280 N -0.45 -0.30 0.18 0.23 0.15 -0.02 -1.14 113.70 112.34 2gum s SER 280 Ca 0.02 0.57 0.08 0.00 0.70 0.00 0.00 55.95 57.32 2gum s SER 280 Cb -0.05 0.56 -0.04 0.00 -1.71 0.00 0.00 66.02 64.78 2gum s SER 280 CO -0.00 -0.11 -0.03 0.68 1.20 0.00 0.00 173.24 174.99 2gum s VAL 281 N 0.31 3.58 0.31 4.45 -7.23 -1.26 0.68 120.40 121.24 2gum s VAL 281 Ca -0.01 -1.49 -0.26 0.00 -1.81 0.00 0.00 61.98 58.41 2gum s VAL 281 Cb -0.03 -2.79 -0.14 0.00 0.56 0.00 0.00 36.38 33.97 2gum s VAL 281 CO -0.01 -0.11 0.69 0.00 -0.31 0.00 0.00 175.10 175.36 2gum n TYR 282 N -0.08 0.10 1.08 2.82 9.36 -1.26 -0.60 117.16 128.58 2gum n TYR 282 Ca -0.10 0.74 0.01 0.00 3.32 0.00 0.00 57.90 61.88 2gum n TYR 282 Cb 0.55 -2.07 0.06 0.00 -0.63 0.00 0.00 39.34 37.25 2gum n TYR 282 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 2gum n PRO 283 N 0.77 1.45 -2.98 2.98 -0.04 -1.26 -4.90 135.00 131.02 2gum n PRO 283 Ca 0.13 -0.44 -0.19 0.00 -0.04 0.00 0.00 63.50 62.96 2gum n PRO 283 Cb 0.33 -1.41 0.04 0.00 -0.04 0.00 0.00 33.50 32.41 2gum n PRO 283 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2gum n TYR 284 N -0.01 -1.80 -0.23 0.54 4.02 0.23 -4.91 117.16 115.01 2gum n TYR 284 Ca 0.04 0.51 -0.01 0.00 -0.01 0.00 0.00 57.90 58.43 2gum n TYR 284 Cb 0.28 -4.07 0.21 0.00 -0.02 0.00 0.00 39.34 35.74 2gum n TYR 284 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 2gum n ASP 285 N -1.96 3.81 0.00 7.72 3.85 -1.26 -3.94 116.55 124.77 2gum n ASP 285 Ca -0.08 -2.69 0.00 0.00 -0.71 0.00 0.00 54.79 51.31 2gum n ASP 285 Cb 0.60 -0.64 0.00 0.00 -1.35 0.00 0.00 41.12 39.72 2gum n ASP 285 CO 0.00 0.00 0.00 -1.84 -1.01 0.00 0.00 177.20 174.35 2gum n GLU 286 N 0.14 -1.13 -3.82 0.11 0.28 -1.24 -3.92 120.64 111.07 2gum n GLU 286 Ca 0.22 0.00 -0.08 0.00 -0.16 0.00 0.00 57.16 57.15 2gum n GLU 286 Cb 0.94 0.00 0.01 0.00 1.43 0.00 0.00 31.44 33.83 2gum n GLU 286 CO 0.00 0.00 0.00 -0.59 -0.16 0.00 0.00 177.13 176.38 2gum s PHE 287 N -2.00 0.05 0.20 -1.84 -0.12 -0.27 -4.55 117.98 109.44 2gum s PHE 287 Ca 0.00 -0.64 0.02 0.00 -0.05 0.00 0.00 56.93 56.26 2gum s PHE 287 Cb 0.00 0.79 -0.05 0.00 -0.63 0.00 0.00 43.02 43.14 2gum s PHE 287 CO 0.00 -1.41 0.01 0.14 -0.05 0.00 0.00 175.22 173.91 2gum s VAL 288 N -2.63 0.77 0.22 -2.49 -7.23 -0.29 -0.09 120.40 108.65 2gum s VAL 288 Ca 0.15 -2.00 0.11 0.00 -1.81 0.00 0.00 61.98 58.43 2gum s VAL 288 Cb -0.05 -2.26 -0.05 0.00 0.56 0.00 0.00 36.38 34.58 2gum s VAL 288 CO 0.10 -0.36 -0.21 -0.76 -0.31 0.00 0.00 175.10 173.55 2gum s LEU 289 N -3.23 2.49 0.36 1.32 1.43 -0.82 -1.67 118.68 118.57 2gum s LEU 289 Ca 0.27 -0.93 0.09 0.00 -1.03 0.00 0.00 54.13 52.54 2gum s LEU 289 Cb 0.06 -1.08 0.51 0.00 0.03 0.00 0.00 46.19 45.72 2gum s LEU 289 CO 0.07 0.06 1.15 0.00 0.23 0.00 0.00 176.35 177.86 2gum h ALA 290 N 2.86 1.33 -0.01 4.21 0.00 -1.76 0.60 119.26 126.49 2gum h ALA 290 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2gum h ALA 290 Cb 1.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2gum h ALA 290 CO 0.53 -0.33 -0.22 0.25 0.00 0.00 0.00 179.25 179.48 2gum n THR 291 N -2.02 0.00 -0.35 0.00 -2.24 -1.26 -4.92 114.28 103.49 2gum n THR 291 Ca -0.01 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 2gum n THR 291 Cb 0.48 0.41 0.00 0.00 -2.10 0.00 0.00 70.33 69.12 2gum n THR 291 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2gum n GLY 292 N 1.32 0.79 3.71 3.38 0.00 0.21 -5.04 105.19 109.55 2gum n GLY 292 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 2gum n GLY 292 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2gum s ASP 293 N -2.97 7.33 0.31 1.61 1.11 -1.25 -4.83 116.67 117.98 2gum s ASP 293 Ca 0.00 1.69 -0.16 0.00 0.18 0.00 0.00 52.55 54.26 2gum s ASP 293 Cb 0.00 -2.57 -0.09 0.00 1.07 0.00 0.00 42.92 41.33 2gum s ASP 293 CO 0.00 -0.30 0.74 -0.36 1.18 0.00 0.00 175.17 176.43 2gum s PHE 294 N 1.12 3.40 -0.25 4.23 0.40 -1.26 -1.94 117.98 123.68 2gum s PHE 294 Ca 0.52 1.25 -0.00 0.00 -0.60 0.00 0.00 56.93 58.10 2gum s PHE 294 Cb -0.22 -2.55 0.07 0.00 0.51 0.00 0.00 43.02 40.83 2gum s PHE 294 CO 0.27 0.11 0.01 0.08 0.70 0.00 0.00 175.22 176.40 2gum s VAL 295 N -1.94 1.15 -1.07 -0.44 1.01 0.87 -4.98 120.40 115.01 2gum s VAL 295 Ca 0.53 -1.15 -0.08 0.00 0.00 0.00 0.00 61.98 61.29 2gum s VAL 295 Cb -0.11 -1.61 -0.09 0.00 0.00 0.00 0.00 36.38 34.57 2gum s VAL 295 CO 0.18 -0.29 3.02 -1.22 0.00 0.00 0.00 175.10 176.78 2gum n TYR 296 N 4.79 1.77 -3.81 5.22 4.02 -1.26 -1.12 117.16 126.77 2gum n TYR 296 Ca -0.08 -2.55 -0.13 0.00 -0.01 0.00 0.00 57.90 55.14 2gum n TYR 296 Cb 0.44 -2.06 -0.12 0.00 -0.02 0.00 0.00 39.34 37.58 2gum n TYR 296 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 176.86 177.26 2gum s MET 297 N 0.98 0.22 0.32 -0.72 1.75 -1.26 -1.82 119.30 118.78 2gum s MET 297 Ca 0.66 0.27 -0.29 0.00 -1.25 0.00 0.00 55.69 55.07 2gum s MET 297 Cb 0.23 0.11 -0.11 0.00 2.84 0.00 0.00 34.83 37.90 2gum s MET 297 CO -0.06 -0.03 1.54 0.45 -0.65 0.00 0.00 175.02 176.27 2gum s SER 298 N 0.11 6.38 0.01 1.11 0.15 0.32 -3.70 113.70 118.08 2gum s SER 298 Ca -0.00 2.97 0.10 0.00 0.70 0.00 0.00 55.95 59.72 2gum s SER 298 Cb -0.01 -2.65 0.42 0.00 -1.71 0.00 0.00 66.02 62.07 2gum s SER 298 CO 0.00 -0.88 1.31 -2.65 1.20 0.00 0.00 173.24 172.22 2gum n PRO 299 N 1.53 0.01 -0.39 5.44 -0.02 -1.25 -1.46 135.00 138.86 2gum n PRO 299 Ca 0.05 0.35 0.08 0.00 -2.02 0.00 0.00 63.50 61.96 2gum n PRO 299 Cb 0.38 -1.52 0.24 0.00 -0.02 0.00 0.00 33.50 32.58 2gum n PRO 299 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2gum n PHE 300 N -1.53 0.87 -2.47 6.00 3.01 -1.26 -4.72 117.46 117.36 2gum n PHE 300 Ca 0.02 -0.72 -0.40 0.00 1.01 0.00 0.00 57.45 57.36 2gum n PHE 300 Cb 0.11 -0.22 -0.04 0.00 -0.01 0.00 0.00 39.48 39.32 2gum n PHE 300 CO 0.00 0.00 0.00 -0.47 1.01 0.00 0.00 176.76 177.30 2gum s TYR 301 N -2.11 3.57 0.00 1.38 5.04 -0.53 -4.81 117.35 119.88 2gum s TYR 301 Ca 0.37 1.68 0.00 0.00 -2.44 0.00 0.00 57.07 56.68 2gum s TYR 301 Cb 0.27 -3.29 0.00 0.00 0.35 0.00 0.00 41.96 39.28 2gum s TYR 301 CO 0.13 -0.59 0.00 0.41 -1.34 0.00 0.00 175.55 174.16 2gum n GLY 302 N 1.25 1.61 0.43 8.97 0.00 -1.11 -4.97 105.19 111.38 2gum n GLY 302 Ca -0.01 -0.49 -0.05 0.00 0.00 0.00 0.00 46.02 45.47 2gum n GLY 302 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2gum n TYR 303 N 0.00 0.00 -1.69 1.61 0.53 -1.26 -0.75 117.16 115.60 2gum n TYR 303 Ca 0.00 0.00 -0.53 0.00 -1.02 0.00 0.00 57.90 56.35 2gum n TYR 303 Cb 0.00 -0.22 -0.06 0.00 -1.03 0.00 0.00 39.34 38.03 2gum n TYR 303 CO 0.00 0.00 0.00 0.54 -1.02 0.00 0.00 176.86 176.38 2gum n ARG 304 N -2.97 1.64 -0.89 -0.72 1.74 -1.26 -4.26 116.66 109.93 2gum n ARG 304 Ca -0.11 0.60 0.00 0.00 -0.77 0.00 0.00 57.85 57.57 2gum n ARG 304 Cb 0.60 -2.35 0.00 0.00 -1.02 0.00 0.00 32.46 29.68 2gum n ARG 304 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2gum n GLU 305 N 5.64 -0.19 -0.20 5.56 4.71 -1.26 -2.07 120.64 132.82 2gum n GLU 305 Ca 0.24 0.18 0.00 0.00 -0.01 0.00 0.00 57.16 57.57 2gum n GLU 305 Cb 0.21 -0.23 0.00 0.00 -1.01 0.00 0.00 31.44 30.41 2gum n GLU 305 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2gum n GLY 306 N 1.63 0.00 0.34 0.62 0.00 -1.26 -4.74 105.19 101.79 2gum n GLY 306 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 2gum n GLY 306 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2gum h SER 307 N 0.00 0.58 0.09 1.61 0.02 -1.60 0.68 113.55 114.94 2gum h SER 307 Ca 0.00 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2gum h SER 307 Cb 0.00 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.41 2gum h SER 307 CO 0.00 0.38 0.00 0.00 -1.14 0.00 0.00 176.83 176.07 2gum n HIS 308 N -4.47 0.60 0.14 3.45 1.44 0.07 -1.23 115.22 115.22 2gum n HIS 308 Ca 0.09 0.30 0.00 0.00 -2.01 0.00 0.00 57.72 56.10 2gum n HIS 308 Cb 0.21 -0.98 0.19 0.00 0.12 0.00 0.00 29.99 29.53 2gum n HIS 308 CO 0.00 0.00 0.00 1.15 -2.81 0.00 0.00 176.34 174.68 2gum h THR 309 N 0.00 1.32 -2.67 0.61 2.02 -1.13 -3.46 112.91 109.60 2gum h THR 309 Ca 0.00 -2.06 -0.45 0.00 0.77 0.00 0.00 66.41 64.67 2gum h THR 309 Cb 0.04 2.14 0.23 0.00 -1.74 0.00 0.00 68.15 68.82 2gum h THR 309 CO 0.00 0.57 -0.64 -0.62 0.37 0.00 0.00 175.52 175.21 2gum n GLU 310 N -3.70 -2.06 -3.09 6.66 -0.58 -0.36 -4.96 120.64 112.54 2gum n GLU 310 Ca -0.01 -0.58 -0.35 0.00 -0.42 0.00 0.00 57.16 55.81 2gum n GLU 310 Cb 0.61 -1.89 -0.06 0.00 -0.57 0.00 0.00 31.44 29.53 2gum n GLU 310 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 2gum s HIS 311 N -2.30 3.53 -0.09 -0.32 5.65 -1.26 -4.96 115.29 115.54 2gum s HIS 311 Ca 0.61 1.34 -0.24 0.00 0.25 0.00 0.00 55.06 57.03 2gum s HIS 311 Cb -0.18 -2.61 0.05 0.00 -1.18 0.00 0.00 32.58 28.67 2gum s HIS 311 CO 0.66 0.22 0.56 -0.08 -0.65 0.00 0.00 174.74 175.44 2gum s THR 312 N -1.74 0.02 -0.12 0.89 -1.32 -1.26 -0.52 115.64 111.59 2gum s THR 312 Ca 0.49 -0.13 0.16 0.00 -1.21 0.00 0.00 61.69 61.00 2gum s THR 312 Cb -0.14 -0.85 0.26 0.00 -1.51 0.00 0.00 72.50 70.26 2gum s THR 312 CO 0.19 -0.07 1.13 0.41 -2.21 0.00 0.00 174.62 174.08 2gum n THR 313 N 1.50 1.66 -4.52 5.08 -1.04 -0.75 -4.98 114.28 111.23 2gum n THR 313 Ca -0.18 -2.02 -0.25 0.00 -2.04 0.00 0.00 64.05 59.56 2gum n THR 313 Cb 0.56 -0.14 -0.10 0.00 -1.82 0.00 0.00 70.33 68.83 2gum n THR 313 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 2gum s TYR 314 N -2.52 2.39 0.24 -1.42 1.51 -1.26 -5.08 117.35 111.20 2gum s TYR 314 Ca 0.28 -0.46 -0.30 0.00 -1.01 0.00 0.00 57.07 55.58 2gum s TYR 314 Cb 0.25 -1.31 -0.09 0.00 -0.11 0.00 0.00 41.96 40.70 2gum s TYR 314 CO 0.02 0.61 1.09 0.00 -1.11 0.00 0.00 175.55 176.16 2gum s ALA 315 N -2.58 3.39 0.34 3.71 0.00 -1.26 -4.90 121.76 120.45 2gum s ALA 315 Ca 0.32 0.85 0.22 0.00 0.00 0.00 0.00 51.96 53.35 2gum s ALA 315 Cb 0.01 -3.33 1.19 0.00 0.00 0.00 0.00 23.12 20.99 2gum s ALA 315 CO 0.16 -0.16 1.32 0.00 0.00 0.00 0.00 175.76 177.08 2gum n ALA 316 N 1.70 0.99 1.85 0.00 0.00 -1.26 0.61 120.51 124.41 2gum n ALA 316 Ca 0.00 0.80 0.02 0.00 0.00 0.00 0.00 53.44 54.26 2gum n ALA 316 Cb 0.45 -0.87 0.10 0.00 0.00 0.00 0.00 19.45 19.13 2gum n ALA 316 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2gum n ASP 317 N -4.67 0.00 -0.00 0.00 5.75 -1.26 -2.75 116.55 113.61 2gum n ASP 317 Ca 0.33 -1.75 0.09 0.00 -0.01 0.00 0.00 54.79 53.45 2gum n ASP 317 Cb 1.19 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 41.15 2gum n ASP 317 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2gum n ARG 318 N -0.55 0.64 -4.07 0.11 1.74 0.20 -4.96 116.66 109.77 2gum n ARG 318 Ca 0.02 -0.09 -0.30 0.00 -0.77 0.00 0.00 57.85 56.71 2gum n ARG 318 Cb 0.01 -1.44 -0.07 0.00 -1.02 0.00 0.00 32.46 29.95 2gum n ARG 318 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 2gum s PHE 319 N -3.10 3.14 -0.23 -1.55 5.36 -1.11 -0.84 117.98 119.65 2gum s PHE 319 Ca -0.00 0.04 -0.13 0.00 -0.96 0.00 0.00 56.93 55.88 2gum s PHE 319 Cb 0.14 -1.59 0.07 0.00 -0.34 0.00 0.00 43.02 41.30 2gum s PHE 319 CO 0.80 0.51 0.57 0.21 -1.46 0.00 0.00 175.22 175.85 2gum s LYS 320 N -2.49 0.56 -0.17 10.12 2.47 0.11 -5.00 119.74 125.35 2gum s LYS 320 Ca 0.29 1.05 -0.00 0.00 -1.56 0.00 0.00 55.97 55.75 2gum s LYS 320 Cb -0.12 0.10 -0.00 0.00 -1.46 0.00 0.00 37.83 36.35 2gum s LYS 320 CO 0.22 -0.16 -0.14 -1.14 0.16 0.00 0.00 175.35 174.29 2gum s GLN 321 N 1.61 3.23 -0.43 4.03 0.74 -1.26 -0.26 119.66 127.31 2gum s GLN 321 Ca -0.09 -0.73 -0.04 0.00 0.05 0.00 0.00 55.36 54.54 2gum s GLN 321 Cb -0.07 -2.68 0.12 0.00 1.10 0.00 0.00 33.01 31.47 2gum s GLN 321 CO -0.17 -0.04 0.24 0.08 -0.55 0.00 0.00 175.29 174.86 2gum s VAL 322 N 0.96 3.45 0.64 1.34 1.01 0.18 -4.96 120.40 123.02 2gum s VAL 322 Ca -0.02 -2.09 -0.18 0.00 0.00 0.00 0.00 61.98 59.69 2gum s VAL 322 Cb -0.15 -3.34 -0.02 0.00 0.00 0.00 0.00 36.38 32.87 2gum s VAL 322 CO -0.02 -0.72 1.27 -1.81 0.00 0.00 0.00 175.10 173.83 2gum s ASP 323 N 1.87 4.72 -1.41 3.32 -0.00 -1.26 -1.62 116.67 122.28 2gum s ASP 323 Ca 0.09 2.57 -0.13 0.00 -0.00 0.00 0.00 52.55 55.08 2gum s ASP 323 Cb -0.23 -2.61 0.10 0.00 -0.00 0.00 0.00 42.92 40.18 2gum s ASP 323 CO -0.04 -1.92 0.61 0.61 -0.00 0.00 0.00 175.17 174.43 2gum n GLY 324 N 0.81 -0.47 3.74 0.21 0.00 -1.17 -4.89 105.19 103.42 2gum n GLY 324 Ca 0.15 0.11 -0.32 0.00 0.00 0.00 0.00 46.02 45.96 2gum n GLY 324 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2gum s PHE 325 N -3.04 2.32 -0.40 1.61 5.36 0.12 -4.62 117.98 119.34 2gum s PHE 325 Ca 0.53 1.61 0.01 0.00 -0.96 0.00 0.00 56.93 58.12 2gum s PHE 325 Cb -0.28 -3.19 0.13 0.00 -0.34 0.00 0.00 43.02 39.34 2gum s PHE 325 CO 0.65 -2.08 0.21 -0.47 -1.46 0.00 0.00 175.22 172.07 2gum s TYR 326 N -2.61 1.75 -0.24 10.12 5.04 -1.26 -1.92 117.35 128.23 2gum s TYR 326 Ca 0.65 -2.18 -0.41 0.00 -2.44 0.00 0.00 57.07 52.69 2gum s TYR 326 Cb -0.21 -1.72 -0.17 0.00 0.35 0.00 0.00 41.96 40.22 2gum s TYR 326 CO 0.52 -0.81 1.60 0.00 -1.34 0.00 0.00 175.55 175.51 2gum n ALA 327 N 3.87 -0.82 -1.57 3.97 0.00 -1.26 -4.94 120.51 119.75 2gum n ALA 327 Ca 0.07 0.45 -0.30 0.00 0.00 0.00 0.00 53.44 53.66 2gum n ALA 327 Cb 0.36 -2.10 0.10 0.00 0.00 0.00 0.00 19.45 17.81 2gum n ALA 327 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2gum s ARG 328 N 2.64 1.93 -0.33 0.00 3.03 -1.26 -5.01 118.95 119.94 2gum s ARG 328 Ca 0.97 0.56 -0.01 0.00 2.03 0.00 0.00 55.73 59.27 2gum s ARG 328 Cb -1.15 -1.91 0.13 0.00 -1.03 0.00 0.00 34.95 30.99 2gum s ARG 328 CO 0.65 -1.71 0.20 -0.51 -1.13 0.00 0.00 175.30 172.80 2gum s ASP 329 N -3.96 2.98 0.00 -2.89 1.01 -1.26 -5.08 116.67 107.48 2gum s ASP 329 Ca 0.61 -1.79 0.00 0.00 0.71 0.00 0.00 52.55 52.08 2gum s ASP 329 Cb -0.14 -0.28 0.00 0.00 1.01 0.00 0.00 42.92 43.51 2gum s ASP 329 CO 0.54 -0.35 0.13 0.18 0.21 0.00 0.00 175.17 175.88 2gum n LEU 330 N 4.51 0.15 -0.65 1.23 4.77 -1.26 -5.16 117.00 120.59 2gum n LEU 330 Ca 0.05 -0.07 -0.06 0.00 -0.03 0.00 0.00 56.01 55.90 2gum n LEU 330 Cb 0.40 -0.07 0.01 0.00 -2.33 0.00 0.00 43.42 41.42 2gum n LEU 330 CO 0.10 0.04 -0.19 0.00 -1.33 0.00 0.00 177.39 176.00 2gum n ALA 338 N 0.14 -2.74 -1.72 -1.18 0.00 -1.26 -4.92 120.51 108.83 2gum n ALA 338 Ca 0.00 -0.09 -0.40 0.00 0.00 0.00 0.00 53.44 52.95 2gum n ALA 338 Cb 0.04 -0.19 0.02 0.00 0.00 0.00 0.00 19.45 19.32 2gum n ALA 338 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2gum n PRO 339 N 0.37 1.87 -3.92 0.00 -0.02 -1.26 -4.67 135.00 127.38 2gum n PRO 339 Ca -0.00 0.67 -0.10 0.00 -2.02 0.00 0.00 63.50 62.05 2gum n PRO 339 Cb 0.09 -2.47 -0.10 0.00 -0.02 0.00 0.00 33.50 30.99 2gum n PRO 339 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2gum s THR 340 N -1.24 0.10 -1.28 3.45 -4.23 -0.81 -4.86 115.64 106.76 2gum s THR 340 Ca 0.65 -0.80 -0.15 0.00 -1.18 0.00 0.00 61.69 60.21 2gum s THR 340 Cb -0.46 -0.37 0.12 0.00 1.34 0.00 0.00 72.50 73.12 2gum s THR 340 CO 0.55 -0.44 1.70 0.41 -0.54 0.00 0.00 174.62 176.30 2gum n THR 341 N 1.49 4.06 -1.85 3.99 -1.04 -1.26 0.16 114.28 119.82 2gum n THR 341 Ca -0.23 -4.25 -0.42 0.00 -2.04 0.00 0.00 64.05 57.10 2gum n THR 341 Cb 0.55 -2.43 -0.03 0.00 -1.82 0.00 0.00 70.33 66.61 2gum n THR 341 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 2gum s ARG 342 N 2.54 4.18 -0.03 -2.82 6.06 -0.64 -1.50 118.95 126.73 2gum s ARG 342 Ca 0.47 2.44 -0.04 0.00 -2.50 0.00 0.00 55.73 56.09 2gum s ARG 342 Cb 0.03 -3.39 -0.04 0.00 0.06 0.00 0.00 34.95 31.61 2gum s ARG 342 CO 0.02 -0.72 0.18 -0.80 -2.50 0.00 0.00 175.30 171.48 2gum s ASN 343 N 1.93 6.39 -0.09 -2.12 -0.87 -0.43 0.51 114.94 120.26 2gum s ASN 343 Ca 0.74 0.40 -0.04 0.00 -1.57 0.00 0.00 52.86 52.40 2gum s ASN 343 Cb -0.44 -2.03 0.05 0.00 -0.02 0.00 0.00 41.25 38.82 2gum s ASN 343 CO 0.33 0.30 0.19 -0.76 -2.57 0.00 0.00 177.10 174.58 2gum s LEU 344 N -1.71 -0.01 -0.12 0.60 1.02 0.64 -2.16 118.68 116.94 2gum s LEU 344 Ca 0.24 0.40 0.03 0.00 0.02 0.00 0.00 54.13 54.82 2gum s LEU 344 Cb -0.13 0.41 0.00 0.00 0.02 0.00 0.00 46.19 46.49 2gum s LEU 344 CO 0.15 -0.23 -0.23 -0.22 0.02 0.00 0.00 176.35 175.85 2gum s LEU 345 N 2.14 2.13 -0.36 1.79 2.96 0.24 -0.71 118.68 126.87 2gum s LEU 345 Ca 0.01 -0.57 -0.09 0.00 -0.22 0.00 0.00 54.13 53.26 2gum s LEU 345 Cb -0.12 -1.43 0.03 0.00 0.50 0.00 0.00 46.19 45.17 2gum s LEU 345 CO -0.07 0.13 0.17 0.28 -1.32 0.00 0.00 176.35 175.54 2gum s THR 346 N 0.54 4.25 0.40 3.68 -1.32 -0.02 -0.02 115.64 123.16 2gum s THR 346 Ca -0.14 -0.98 0.06 0.00 -1.21 0.00 0.00 61.69 59.43 2gum s THR 346 Cb -0.17 -3.39 0.00 0.00 -1.51 0.00 0.00 72.50 67.43 2gum s THR 346 CO 0.04 -0.22 0.56 0.42 -2.21 0.00 0.00 174.62 173.22 2gum s THR 347 N 1.49 3.43 0.29 5.08 -4.23 0.68 -4.85 115.64 117.53 2gum s THR 347 Ca 0.00 -0.93 0.26 0.00 -1.18 0.00 0.00 61.69 59.84 2gum s THR 347 Cb -0.19 -3.18 0.26 0.00 1.34 0.00 0.00 72.50 70.72 2gum s THR 347 CO 0.05 -0.08 1.76 -0.65 -0.54 0.00 0.00 174.62 175.16 2gum h PRO 348 N 0.66 0.00 0.00 3.99 0.11 -1.97 -2.52 132.00 132.27 2gum h PRO 348 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2gum h PRO 348 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2gum h PRO 348 CO 0.49 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 179.91 2gum n LYS 349 N -2.54 6.16 -3.90 1.05 5.02 -1.26 -4.48 118.16 118.21 2gum n LYS 349 Ca -0.02 -0.04 -0.00 0.00 -2.02 0.00 0.00 58.31 56.23 2gum n LYS 349 Cb 0.24 -0.52 0.01 0.00 -0.02 0.00 0.00 35.03 34.74 2gum n LYS 349 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 2gum s PHE 350 N -0.89 0.04 -0.01 2.13 -0.12 -0.95 -3.35 117.98 114.83 2gum s PHE 350 Ca 0.00 -0.30 0.04 0.00 -0.05 0.00 0.00 56.93 56.63 2gum s PHE 350 Cb 0.00 0.63 -0.01 0.00 -0.63 0.00 0.00 43.02 43.01 2gum s PHE 350 CO 0.00 -0.61 -0.14 0.99 -0.05 0.00 0.00 175.22 175.41 2gum s THR 351 N -2.17 1.14 0.02 -4.49 2.01 -0.45 0.25 115.64 111.95 2gum s THR 351 Ca 0.24 -0.63 0.04 0.00 0.31 0.00 0.00 61.69 61.65 2gum s THR 351 Cb -0.01 -0.95 -0.02 0.00 0.01 0.00 0.00 72.50 71.53 2gum s THR 351 CO 0.02 0.32 -0.12 0.68 -0.69 0.00 0.00 174.62 174.83 2gum s VAL 352 N -0.35 0.91 0.00 3.82 -7.23 0.97 0.20 120.40 118.73 2gum s VAL 352 Ca 0.05 -0.79 0.03 0.00 -1.81 0.00 0.00 61.98 59.46 2gum s VAL 352 Cb -0.06 -0.82 -0.01 0.00 0.56 0.00 0.00 36.38 36.05 2gum s VAL 352 CO -0.01 0.03 -0.10 0.00 -0.31 0.00 0.00 175.10 174.71 2gum s ALA 353 N -0.69 0.84 -0.07 1.32 0.00 -0.07 -0.59 121.76 122.50 2gum s ALA 353 Ca 0.01 -0.50 -0.19 0.00 0.00 0.00 0.00 51.96 51.28 2gum s ALA 353 Cb -0.07 -0.18 0.04 0.00 0.00 0.00 0.00 23.12 22.91 2gum s ALA 353 CO 0.01 0.18 0.43 1.67 0.00 0.00 0.00 175.76 178.05 2gum s TRP 354 N -0.41 -0.38 0.02 0.00 -2.14 -0.92 -0.34 118.94 114.78 2gum s TRP 354 Ca 0.02 0.73 -0.30 0.00 2.66 0.00 0.00 56.10 59.21 2gum s TRP 354 Cb -0.05 0.19 -0.07 0.00 -3.10 0.00 0.00 33.47 30.44 2gum s TRP 354 CO -0.00 -0.40 1.52 -0.51 -2.66 0.00 0.00 176.95 174.90 2gum s ASP 355 N -0.86 6.74 0.23 -2.66 1.01 -1.26 -1.31 116.67 118.55 2gum s ASP 355 Ca -0.09 2.27 -0.30 0.00 0.71 0.00 0.00 52.55 55.14 2gum s ASP 355 Cb -0.03 -2.56 -0.09 0.00 1.01 0.00 0.00 42.92 41.25 2gum s ASP 355 CO 0.05 -0.80 1.15 0.86 0.21 0.00 0.00 175.17 176.64 2gum s TRP 356 N 2.59 3.48 0.04 4.23 -0.00 -0.56 -4.90 118.94 123.81 2gum s TRP 356 Ca 0.68 1.55 -0.03 0.00 -0.00 0.00 0.00 56.10 58.31 2gum s TRP 356 Cb -0.35 -3.37 -0.02 0.00 -0.00 0.00 0.00 33.47 29.73 2gum s TRP 356 CO 0.29 -0.92 0.02 0.14 -0.00 0.00 0.00 176.95 176.48 2gum s VAL 357 N -0.53 0.16 0.54 5.86 -7.23 -1.26 -4.58 120.40 113.35 2gum s VAL 357 Ca 0.49 -1.29 -0.19 0.00 -1.81 0.00 0.00 61.98 59.18 2gum s VAL 357 Cb -0.32 -0.95 -0.06 0.00 0.56 0.00 0.00 36.38 35.61 2gum s VAL 357 CO 0.39 -0.71 1.11 -2.16 -0.31 0.00 0.00 175.10 173.41 2gum s PRO 358 N -2.78 3.40 0.01 4.82 0.04 -1.26 -4.79 135.00 134.44 2gum s PRO 358 Ca -0.04 1.53 -0.10 0.00 0.04 0.00 0.00 61.00 62.44 2gum s PRO 358 Cb -0.00 -2.02 -0.05 0.00 0.04 0.00 0.00 34.50 32.47 2gum s PRO 358 CO -0.06 -0.80 1.12 -0.22 0.04 0.00 0.00 177.00 177.09 2gum h LYS 359 N 1.16 -0.33 -0.75 4.56 3.64 -1.98 -3.29 116.57 119.57 2gum h LYS 359 Ca -0.50 0.02 0.12 0.00 -1.27 0.00 0.00 60.65 59.03 2gum h LYS 359 Cb 1.25 0.08 -0.13 0.00 -0.41 0.00 0.00 32.23 33.02 2gum h LYS 359 CO 0.57 -0.22 -0.38 0.00 -2.27 0.00 0.00 179.45 177.15 2gum h ARG 360 N -0.35 -0.10 -0.00 1.90 3.08 -1.94 0.28 114.38 117.25 2gum h ARG 360 Ca -0.04 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.02 2gum h ARG 360 Cb 0.26 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.34 2gum h ARG 360 CO 0.06 -0.07 0.00 -0.35 -1.07 0.00 0.00 179.97 178.54 2gum n PRO 361 N -5.44 0.81 -0.02 0.04 -0.04 -1.26 -3.46 135.00 125.64 2gum n PRO 361 Ca 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 2gum n PRO 361 Cb 0.37 -1.00 -0.05 0.00 -0.04 0.00 0.00 33.50 32.78 2gum n PRO 361 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2gum n SER 362 N -0.50 3.49 -4.37 3.54 7.64 0.94 -5.06 113.62 119.31 2gum n SER 362 Ca 0.00 0.00 -0.19 0.00 1.01 0.00 0.00 58.87 59.69 2gum n SER 362 Cb 0.00 0.99 -0.10 0.00 -1.01 0.00 0.00 64.21 64.09 2gum n SER 362 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2gum s VAL 363 N -2.31 1.69 -0.20 0.44 -7.23 -0.94 -5.02 120.40 106.83 2gum s VAL 363 Ca -0.03 -2.18 -0.15 0.00 -1.81 0.00 0.00 61.98 57.81 2gum s VAL 363 Cb 0.03 -2.16 0.06 0.00 0.56 0.00 0.00 36.38 34.87 2gum s VAL 363 CO 0.26 -0.51 0.51 0.00 -0.31 0.00 0.00 175.10 175.06 2gum n THR 365 N 3.55 0.09 -4.27 0.00 -2.24 -0.89 -4.77 114.28 105.75 2gum n THR 365 Ca -0.18 -0.20 -0.18 0.00 -2.27 0.00 0.00 64.05 61.22 2gum n THR 365 Cb 0.56 0.12 -0.11 0.00 -2.10 0.00 0.00 70.33 68.81 2gum n THR 365 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 2gum s MET 366 N -1.91 1.11 0.00 -0.78 -1.94 -1.26 -1.19 119.30 113.32 2gum s MET 366 Ca 0.34 -1.33 0.02 0.00 -1.71 0.00 0.00 55.69 53.01 2gum s MET 366 Cb 0.17 -0.99 -0.01 0.00 2.01 0.00 0.00 34.83 36.02 2gum s MET 366 CO 0.27 0.19 -0.07 0.99 -0.01 0.00 0.00 175.02 176.39 2gum s THR 367 N -2.30 0.56 0.16 2.05 2.01 0.71 -4.66 115.64 114.16 2gum s THR 367 Ca 0.12 -0.38 -0.31 0.00 0.31 0.00 0.00 61.69 61.43 2gum s THR 367 Cb -0.04 -0.48 -0.09 0.00 0.01 0.00 0.00 72.50 71.90 2gum s THR 367 CO 0.04 0.10 1.39 -0.75 -0.69 0.00 0.00 174.62 174.71 2gum s LYS 368 N -0.31 4.32 -0.03 4.92 2.20 -1.26 -0.81 119.74 128.76 2gum s LYS 368 Ca 0.02 2.12 -0.03 0.00 -0.36 0.00 0.00 55.97 57.71 2gum s LYS 368 Cb -0.03 -3.21 -0.02 0.00 -1.51 0.00 0.00 37.83 33.06 2gum s LYS 368 CO -0.00 -0.40 -0.07 1.87 -0.36 0.00 0.00 175.35 176.39 2gum n TRP 369 N 3.40 0.00 -4.18 4.03 -0.00 0.57 -4.88 117.44 116.39 2gum n TRP 369 Ca 0.10 0.00 -0.17 0.00 -0.00 0.00 0.00 57.50 57.42 2gum n TRP 369 Cb 0.42 -0.17 -0.15 0.00 -0.00 0.00 0.00 31.31 31.41 2gum n TRP 369 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 177.69 177.04 2gum s GLN 370 N -2.12 0.55 -0.24 5.87 -1.52 -1.10 -4.99 119.66 116.11 2gum s GLN 370 Ca -0.07 -0.18 -0.08 0.00 -1.95 0.00 0.00 55.36 53.08 2gum s GLN 370 Cb 0.02 -0.55 -0.03 0.00 -0.22 0.00 0.00 33.01 32.23 2gum s GLN 370 CO 0.09 0.07 0.08 -1.21 -0.25 0.00 0.00 175.29 174.08 2gum s GLU 371 N 0.15 3.77 -0.28 2.91 2.02 -1.26 -0.67 118.70 125.33 2gum s GLU 371 Ca -0.01 -0.43 0.02 0.00 0.02 0.00 0.00 54.97 54.57 2gum s GLU 371 Cb -0.06 -3.34 0.06 0.00 0.10 0.00 0.00 34.13 30.90 2gum s GLU 371 CO -0.00 -0.07 -0.06 0.08 0.02 0.00 0.00 175.26 175.23 2gum s VAL 372 N 1.31 2.41 0.09 2.63 1.01 0.75 -5.00 120.40 123.61 2gum s VAL 372 Ca 0.05 -1.66 -0.35 0.00 0.00 0.00 0.00 61.98 60.02 2gum s VAL 372 Cb -0.15 -2.46 -0.17 0.00 0.00 0.00 0.00 36.38 33.61 2gum s VAL 372 CO 0.04 -0.13 1.57 0.44 0.00 0.00 0.00 175.10 177.02 2gum h ASP 373 N 7.82 -1.38 -3.56 3.32 5.19 -1.89 -2.13 116.42 123.79 2gum h ASP 373 Ca -0.18 0.12 -0.72 0.00 -0.62 0.00 0.00 57.03 55.63 2gum h ASP 373 Cb 1.04 0.46 -0.32 0.00 0.18 0.00 0.00 39.33 40.70 2gum h ASP 373 CO 0.49 -0.65 -0.39 -1.61 -3.12 0.00 0.00 179.24 173.96 2gum s GLU 374 N -5.87 2.44 -0.30 3.56 2.02 -1.26 -4.20 118.70 115.08 2gum s GLU 374 Ca -0.18 -1.99 0.01 0.00 0.02 0.00 0.00 54.97 52.83 2gum s GLU 374 Cb 0.05 -3.83 0.07 0.00 0.10 0.00 0.00 34.13 30.52 2gum s GLU 374 CO 0.61 -1.16 -0.02 1.41 0.02 0.00 0.00 175.26 176.12 2gum s MET 375 N 0.91 2.14 0.26 1.61 1.75 -0.68 -4.34 119.30 120.96 2gum s MET 375 Ca 0.10 -1.46 -0.23 0.00 -1.25 0.00 0.00 55.69 52.85 2gum s MET 375 Cb -0.23 -3.10 -0.09 0.00 2.84 0.00 0.00 34.83 34.25 2gum s MET 375 CO -0.03 -0.70 0.83 -0.51 -0.65 0.00 0.00 175.02 173.96 2gum s LEU 376 N 1.12 4.35 0.01 4.11 1.43 -0.76 -2.90 118.68 126.05 2gum s LEU 376 Ca -0.03 1.62 0.05 0.00 -1.03 0.00 0.00 54.13 54.75 2gum s LEU 376 Cb -0.20 -3.77 -0.02 0.00 0.03 0.00 0.00 46.19 42.24 2gum s LEU 376 CO -0.04 -0.00 -0.16 -0.60 0.23 0.00 0.00 176.35 175.77 2gum s ARG 377 N -1.97 1.24 0.08 1.70 3.52 -0.40 -1.50 118.95 121.63 2gum s ARG 377 Ca 0.46 -0.68 -0.09 0.00 -0.13 0.00 0.00 55.73 55.29 2gum s ARG 377 Cb -0.18 -1.23 -0.00 0.00 -1.56 0.00 0.00 34.95 31.98 2gum s ARG 377 CO 0.22 0.33 0.19 -1.54 -0.81 0.00 0.00 175.30 173.69 2gum s SER 378 N -0.70 0.11 -0.15 -2.12 1.04 -0.86 -0.40 113.70 110.63 2gum s SER 378 Ca 0.05 -0.61 0.02 0.00 0.48 0.00 0.00 55.95 55.89 2gum s SER 378 Cb -0.07 0.33 0.01 0.00 0.10 0.00 0.00 66.02 66.39 2gum s SER 378 CO 0.00 -0.70 -0.21 -0.70 0.98 0.00 0.00 173.24 172.62 2gum s GLU 379 N -3.67 2.92 -0.14 4.02 2.12 -1.26 -1.14 118.70 121.55 2gum s GLU 379 Ca 0.03 -0.81 -0.11 0.00 0.36 0.00 0.00 54.97 54.44 2gum s GLU 379 Cb 0.04 -2.42 0.04 0.00 0.26 0.00 0.00 34.13 32.05 2gum s GLU 379 CO -0.10 -0.09 0.35 -0.47 -0.54 0.00 0.00 175.26 174.41 2gum s TYR 380 N 1.00 -0.42 -1.46 5.30 5.04 -0.72 -4.92 117.35 121.17 2gum s TYR 380 Ca -0.03 0.99 -0.10 0.00 -2.44 0.00 0.00 57.07 55.50 2gum s TYR 380 Cb -0.15 0.15 0.05 0.00 0.35 0.00 0.00 41.96 42.36 2gum s TYR 380 CO -0.06 -0.22 0.84 0.41 -1.34 0.00 0.00 175.55 175.18 2gum n GLY 381 N 3.34 -0.51 2.23 8.97 0.00 -1.26 -2.20 105.19 115.75 2gum n GLY 381 Ca -0.17 0.17 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 2gum n GLY 381 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gum n GLY 382 N -1.62 0.21 3.15 -0.02 0.00 -1.26 -5.02 105.19 100.63 2gum n GLY 382 Ca -0.01 -0.45 -0.09 0.00 0.00 0.00 0.00 46.02 45.47 2gum n GLY 382 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2gum s SER 383 N -2.59 0.16 -0.12 1.61 0.01 -0.94 -4.17 113.70 107.67 2gum s SER 383 Ca 0.00 -0.57 -0.06 0.00 1.31 0.00 0.00 55.95 56.64 2gum s SER 383 Cb 0.00 0.27 -0.04 0.00 0.21 0.00 0.00 66.02 66.46 2gum s SER 383 CO 0.00 -0.58 0.10 -0.36 0.41 0.00 0.00 173.24 172.80 2gum s PHE 384 N -3.04 3.45 -0.20 2.43 0.08 0.92 -1.75 117.98 119.87 2gum s PHE 384 Ca -0.01 0.40 -0.02 0.00 0.12 0.00 0.00 56.93 57.42 2gum s PHE 384 Cb 0.01 -1.92 0.00 0.00 -0.57 0.00 0.00 43.02 40.55 2gum s PHE 384 CO -0.07 0.61 -0.12 1.03 -0.10 0.00 0.00 175.22 176.58 2gum s ARG 385 N -0.84 3.20 -0.28 0.44 3.00 -0.30 -1.50 118.95 122.67 2gum s ARG 385 Ca 0.13 -0.72 -0.05 0.00 0.00 0.00 0.00 55.73 55.10 2gum s ARG 385 Cb -0.12 -2.80 0.02 0.00 0.00 0.00 0.00 34.95 32.05 2gum s ARG 385 CO 0.03 -0.20 0.03 -0.06 0.00 0.00 0.00 175.30 175.10 2gum s PHE 386 N 1.37 3.14 0.04 -0.53 0.40 -0.21 -2.02 117.98 120.18 2gum s PHE 386 Ca 0.05 -1.31 0.09 0.00 -0.60 0.00 0.00 56.93 55.17 2gum s PHE 386 Cb -0.14 -2.18 -0.03 0.00 0.51 0.00 0.00 43.02 41.19 2gum s PHE 386 CO -0.08 -0.67 -0.26 -1.54 0.70 0.00 0.00 175.22 173.38 2gum s SER 387 N 1.41 3.18 -0.21 1.36 1.04 -0.56 0.00 113.70 119.91 2gum s SER 387 Ca 0.01 -0.58 0.01 0.00 0.48 0.00 0.00 55.95 55.87 2gum s SER 387 Cb -0.17 -0.30 0.05 0.00 0.10 0.00 0.00 66.02 65.69 2gum s SER 387 CO -0.00 0.26 -0.11 -0.55 0.98 0.00 0.00 173.24 173.82 2gum s SER 388 N -1.21 3.63 0.22 7.02 0.15 0.56 -1.82 113.70 122.24 2gum s SER 388 Ca 0.12 -1.00 -0.07 0.00 0.70 0.00 0.00 55.95 55.70 2gum s SER 388 Cb -0.10 -1.31 0.18 0.00 -1.71 0.00 0.00 66.02 63.08 2gum s SER 388 CO 0.02 -0.15 1.82 -0.78 1.20 0.00 0.00 173.24 175.35 2gum h ASP 389 N 7.93 1.11 -0.43 5.45 1.82 -1.86 0.33 116.42 130.76 2gum h ASP 389 Ca -0.27 -0.14 0.07 0.00 -0.39 0.00 0.00 57.03 56.30 2gum h ASP 389 Cb 1.09 -0.29 -0.06 0.00 0.68 0.00 0.00 39.33 40.75 2gum h ASP 389 CO 0.48 0.94 0.08 0.00 -1.61 0.00 0.00 179.24 179.13 2gum h ALA 390 N 1.22 0.46 -0.37 -0.78 0.00 -1.94 -2.87 119.26 114.98 2gum h ALA 390 Ca 0.29 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.29 2gum h ALA 390 Cb 0.12 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2gum h ALA 390 CO -0.04 -0.33 0.00 0.44 0.00 0.00 0.00 179.25 179.33 2gum n ILE 391 N -5.11 0.81 -3.62 0.00 -5.35 -1.16 -5.00 119.36 99.93 2gum n ILE 391 Ca 0.04 -0.91 -0.26 0.00 -0.27 0.00 0.00 62.75 61.35 2gum n ILE 391 Cb 0.20 0.65 0.04 0.00 -1.74 0.00 0.00 39.64 38.80 2gum n ILE 391 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 2gum n SER 392 N 0.83 -4.37 -3.94 7.28 7.64 0.11 -5.00 113.62 116.18 2gum n SER 392 Ca 0.14 -0.91 -0.12 0.00 1.01 0.00 0.00 58.87 58.98 2gum n SER 392 Cb 0.46 -3.87 -0.13 0.00 -1.01 0.00 0.00 64.21 59.66 2gum n SER 392 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2gum s THR 393 N -3.53 0.19 -0.14 0.44 2.01 -0.96 -4.25 115.64 109.40 2gum s THR 393 Ca 0.34 -0.39 -0.02 0.00 0.31 0.00 0.00 61.69 61.94 2gum s THR 393 Cb -0.10 -0.22 0.04 0.00 0.01 0.00 0.00 72.50 72.23 2gum s THR 393 CO 0.83 -0.13 -0.01 -0.89 -0.69 0.00 0.00 174.62 173.73 2gum s THR 394 N -0.52 0.65 0.27 -0.82 2.01 -0.72 -0.32 115.64 116.18 2gum s THR 394 Ca -0.04 -0.31 0.02 0.00 0.31 0.00 0.00 61.69 61.66 2gum s THR 394 Cb -0.04 -0.92 -0.03 0.00 0.01 0.00 0.00 72.50 71.52 2gum s THR 394 CO -0.00 0.08 0.44 -0.36 -0.69 0.00 0.00 174.62 174.09 2gum s PHE 395 N 1.84 3.48 -0.02 4.92 0.40 0.10 -4.66 117.98 124.03 2gum s PHE 395 Ca 0.02 0.22 0.03 0.00 -0.60 0.00 0.00 56.93 56.61 2gum s PHE 395 Cb -0.15 -1.77 -0.00 0.00 0.51 0.00 0.00 43.02 41.61 2gum s PHE 395 CO -0.07 0.30 -0.12 0.99 0.70 0.00 0.00 175.22 177.02 2gum s THR 396 N -2.08 1.02 0.16 0.64 2.01 -1.26 -1.04 115.64 115.09 2gum s THR 396 Ca 0.37 -0.51 -0.09 0.00 0.31 0.00 0.00 61.69 61.78 2gum s THR 396 Cb -0.10 -0.87 -0.01 0.00 0.01 0.00 0.00 72.50 71.53 2gum s THR 396 CO 0.32 0.30 0.28 0.42 -0.69 0.00 0.00 174.62 175.25 2gum s THR 397 N -0.02 0.07 0.93 -0.82 -4.23 -0.56 -1.00 115.64 110.01 2gum s THR 397 Ca -0.00 -1.38 -0.12 0.00 -1.18 0.00 0.00 61.69 59.01 2gum s THR 397 Cb -0.08 -1.82 0.15 0.00 1.34 0.00 0.00 72.50 72.09 2gum s THR 397 CO 0.00 -0.31 1.10 0.20 -0.54 0.00 0.00 174.62 175.07 2gum s ASN 398 N -2.96 3.24 0.32 3.99 0.01 -1.26 -0.05 114.94 118.22 2gum s ASN 398 Ca 0.17 1.32 0.16 0.00 -0.71 0.00 0.00 52.86 53.80 2gum s ASN 398 Cb 0.03 -2.00 0.42 0.00 0.41 0.00 0.00 41.25 40.12 2gum s ASN 398 CO -0.01 -2.76 1.61 -0.07 -1.51 0.00 0.00 177.10 174.36 2gum h LEU 399 N -1.64 0.00 -9.61 0.60 3.38 -1.92 -3.39 115.31 102.74 2gum h LEU 399 Ca -0.51 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 56.94 2gum h LEU 399 Cb 1.30 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.05 2gum h LEU 399 CO 0.57 0.50 0.44 -0.89 0.09 0.00 0.00 178.44 179.15 2gum s THR 400 N -3.38 4.11 1.02 0.22 2.01 -1.26 -5.03 115.64 113.33 2gum s THR 400 Ca 0.01 1.76 -0.12 0.00 0.31 0.00 0.00 61.69 63.65 2gum s THR 400 Cb 0.10 -4.12 0.20 0.00 0.01 0.00 0.00 72.50 68.69 2gum s THR 400 CO 0.72 0.27 1.08 -1.61 -0.69 0.00 0.00 174.62 174.39 2gum s GLU 401 N -0.08 0.19 -0.26 4.92 2.02 -1.26 -4.79 118.70 119.44 2gum s GLU 401 Ca 0.49 1.02 -0.07 0.00 0.02 0.00 0.00 54.97 56.43 2gum s GLU 401 Cb -0.27 -1.67 -0.02 0.00 0.10 0.00 0.00 34.13 32.27 2gum s GLU 401 CO 0.33 -3.03 0.07 -0.47 0.02 0.00 0.00 175.26 172.18 2gum s TYR 402 N -2.65 3.09 -0.52 1.61 5.04 0.16 -4.95 117.35 119.14 2gum s TYR 402 Ca 0.67 -0.52 -0.27 0.00 -2.44 0.00 0.00 57.07 54.51 2gum s TYR 402 Cb -0.22 -2.24 -0.09 0.00 0.35 0.00 0.00 41.96 39.75 2gum s TYR 402 CO 0.61 -0.40 2.42 -2.30 -1.34 0.00 0.00 175.55 174.54 2gum n PRO 403 N 4.92 1.01 0.29 4.97 -0.02 -1.26 -4.71 135.00 140.20 2gum n PRO 403 Ca -0.16 0.07 0.19 0.00 -2.02 0.00 0.00 63.50 61.58 2gum n PRO 403 Cb 0.51 -3.11 0.98 0.00 -0.02 0.00 0.00 33.50 31.86 2gum n PRO 403 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2gum h LEU 404 N 17.68 0.00 -1.09 2.45 5.85 -1.96 0.29 115.31 138.54 2gum h LEU 404 Ca -0.24 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.41 2gum h LEU 404 Cb 1.28 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.29 2gum h LEU 404 CO 1.16 0.00 -0.36 0.77 -0.34 0.00 0.00 178.44 179.67 2gum h SER 405 N 0.00 0.00 0.56 1.25 4.64 -1.97 -2.69 113.55 115.34 2gum h SER 405 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 2gum h SER 405 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 2gum h SER 405 CO -0.00 0.36 0.00 -1.14 -0.87 0.00 0.00 176.83 175.18 2gum n ARG 406 N -3.63 0.11 -2.57 4.77 0.63 0.10 -4.66 116.66 111.42 2gum n ARG 406 Ca -0.01 0.38 -0.43 0.00 -0.92 0.00 0.00 57.85 56.88 2gum n ARG 406 Cb 0.47 -1.73 -0.02 0.00 0.45 0.00 0.00 32.46 31.62 2gum n ARG 406 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 2gum s VAL 407 N -3.21 4.08 -0.30 5.15 1.01 -1.02 -1.87 120.40 124.24 2gum s VAL 407 Ca 0.04 1.04 -0.34 0.00 0.00 0.00 0.00 61.98 62.73 2gum s VAL 407 Cb 0.09 -4.63 -0.10 0.00 0.00 0.00 0.00 36.38 31.74 2gum s VAL 407 CO 0.31 -1.15 2.18 -0.67 0.00 0.00 0.00 175.10 175.77 2gum n ASP 408 N 8.25 2.47 -3.41 3.32 -0.08 -0.87 -2.53 116.55 123.70 2gum n ASP 408 Ca 0.11 0.40 -0.20 0.00 -1.51 0.00 0.00 54.79 53.59 2gum n ASP 408 Cb 0.49 -1.34 0.06 0.00 2.34 0.00 0.00 41.12 42.68 2gum n ASP 408 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2gum n LEU 409 N 10.06 -4.62 -2.53 -2.67 4.77 -1.26 -4.35 117.00 116.41 2gum n LEU 409 Ca 0.37 -0.78 -0.18 0.00 -0.03 0.00 0.00 56.01 55.39 2gum n LEU 409 Cb 0.28 -2.97 0.02 0.00 -2.33 0.00 0.00 43.42 38.42 2gum n LEU 409 CO 0.74 0.24 0.06 0.61 -1.33 0.00 0.00 177.39 177.71 2gum n GLY 410 N -1.36 4.13 0.12 -0.72 0.00 -1.05 -2.10 105.19 104.21 2gum n GLY 410 Ca -0.12 -2.11 0.13 0.00 0.00 0.00 0.00 46.02 43.92 2gum n GLY 410 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2gum h ASP 411 N 2.70 0.00 1.19 1.61 3.32 -1.84 -3.00 116.42 120.40 2gum h ASP 411 Ca 0.13 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.15 2gum h ASP 411 Cb 1.10 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.64 2gum h ASP 411 CO 0.67 0.00 -0.17 0.00 -1.72 0.00 0.00 179.24 178.02 2gum h ILE 413 N 0.00 0.00 -0.96 0.00 2.04 -1.89 -0.06 117.51 116.63 2gum h ILE 413 Ca -0.00 -0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.03 2gum h ILE 413 Cb 0.81 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.80 2gum h ILE 413 CO 0.02 0.00 0.61 1.23 0.00 0.00 0.00 178.15 180.01 2gum h GLY 414 N -1.17 1.45 0.00 5.37 0.00 -1.77 -1.19 103.07 105.75 2gum h GLY 414 Ca -0.12 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 46.89 2gum h GLY 414 CO 0.20 0.02 0.00 0.28 0.00 0.00 0.00 176.54 177.04 2gum n LYS 415 N -4.64 0.00 -0.33 4.80 5.02 -1.07 -2.60 118.16 119.33 2gum n LYS 415 Ca 0.21 0.10 0.22 0.00 -2.02 0.00 0.00 58.31 56.81 2gum n LYS 415 Cb 0.54 -1.06 0.41 0.00 -0.02 0.00 0.00 35.03 34.91 2gum n LYS 415 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2gum h ASP 416 N 0.00 -0.11 0.14 4.39 3.32 -0.94 -1.43 116.42 121.79 2gum h ASP 416 Ca 0.00 0.27 -0.00 0.00 0.02 0.00 0.00 57.03 57.31 2gum h ASP 416 Cb 0.00 0.38 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 2gum h ASP 416 CO 0.00 -0.37 -0.20 0.00 -1.72 0.00 0.00 179.24 176.95 2gum h ALA 417 N 1.98 -0.84 -0.28 3.45 0.00 -1.26 -0.70 119.26 121.60 2gum h ALA 417 Ca 0.70 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.61 2gum h ALA 417 Cb 1.64 0.50 -0.06 0.00 0.00 0.00 0.00 17.79 19.87 2gum h ALA 417 CO -0.84 -0.87 -0.11 0.00 0.00 0.00 0.00 179.25 177.43 2gum h ARG 418 N -0.36 -0.05 -0.71 0.00 3.08 -1.10 0.31 114.38 115.55 2gum h ARG 418 Ca -0.02 0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.12 2gum h ARG 418 Cb 0.32 0.01 -0.11 0.00 0.08 0.00 0.00 29.97 30.27 2gum h ARG 418 CO -0.06 -0.04 -0.50 -0.44 -1.07 0.00 0.00 179.97 177.87 2gum h ASP 419 N -0.06 -1.77 -0.18 7.04 5.19 -1.17 0.59 116.42 126.05 2gum h ASP 419 Ca 0.14 0.28 -0.02 0.00 -0.62 0.00 0.00 57.03 56.81 2gum h ASP 419 Cb 0.27 0.79 -0.01 0.00 0.18 0.00 0.00 39.33 40.57 2gum h ASP 419 CO -0.32 -0.32 0.02 0.00 -3.12 0.00 0.00 179.24 175.50 2gum h ALA 420 N 0.52 0.25 -0.72 3.45 0.00 -0.33 -2.52 119.26 119.91 2gum h ALA 420 Ca 0.17 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.95 2gum h ALA 420 Cb 0.53 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 2gum h ALA 420 CO -0.77 -0.08 0.47 0.52 0.00 0.00 0.00 179.25 179.39 2gum h MET 421 N 0.09 0.80 -0.11 0.00 2.86 0.28 -1.25 114.93 117.59 2gum h MET 421 Ca 0.06 -0.05 -0.11 0.00 -2.06 0.00 0.00 59.70 57.54 2gum h MET 421 Cb 0.33 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.81 2gum h MET 421 CO 0.00 0.53 -0.35 -0.44 1.06 0.00 0.00 176.91 177.71 2gum h ASP 422 N 0.82 0.50 -0.76 1.22 3.32 -0.86 -0.22 116.42 120.44 2gum h ASP 422 Ca 0.30 -0.60 0.10 0.00 0.02 0.00 0.00 57.03 56.84 2gum h ASP 422 Cb 0.14 -0.15 -0.07 0.00 0.22 0.00 0.00 39.33 39.47 2gum h ASP 422 CO -0.09 1.02 0.40 -0.09 -1.72 0.00 0.00 179.24 178.76 2gum h ARG 423 N 0.01 0.65 -0.12 3.56 2.43 -0.98 -1.78 114.38 118.15 2gum h ARG 423 Ca -0.01 -0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 59.01 2gum h ARG 423 Cb 0.98 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.38 2gum h ARG 423 CO 0.08 0.43 -0.37 0.82 -1.51 0.00 0.00 179.97 179.42 2gum h ILE 424 N 0.66 1.37 -0.32 1.20 2.04 -1.24 -2.47 117.51 118.77 2gum h ILE 424 Ca 0.37 -1.67 0.07 0.00 1.00 0.00 0.00 64.86 64.63 2gum h ILE 424 Cb 0.39 2.11 -0.08 0.00 -0.74 0.00 0.00 36.82 38.50 2gum h ILE 424 CO -0.27 0.50 -0.21 0.15 0.00 0.00 0.00 178.15 178.32 2gum h PHE 425 N 0.05 -0.53 0.73 1.37 3.57 -0.57 0.27 116.94 121.84 2gum h PHE 425 Ca -0.01 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.49 2gum h PHE 425 Cb 0.99 0.28 0.01 0.00 2.79 0.00 0.00 35.95 40.02 2gum h PHE 425 CO 0.11 -0.28 -0.35 0.00 -2.23 0.00 0.00 178.31 175.55 2gum h ALA 426 N 1.00 -1.23 -0.44 2.41 0.00 -1.40 0.52 119.26 120.12 2gum h ALA 426 Ca 0.16 -0.22 0.13 0.00 0.00 0.00 0.00 54.91 54.98 2gum h ALA 426 Cb 0.42 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 2gum h ALA 426 CO -0.42 -1.15 0.67 -0.09 0.00 0.00 0.00 179.25 178.26 2gum h ARG 427 N -1.01 0.00 0.00 0.00 2.43 -1.17 -3.33 114.38 111.30 2gum h ARG 427 Ca -0.10 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 2gum h ARG 427 Cb 0.75 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.30 2gum h ARG 427 CO 0.17 0.00 -0.12 -2.13 -1.51 0.00 0.00 179.97 176.38 2gum n ARG 428 N -3.29 0.38 -0.00 0.20 0.63 0.06 -4.96 116.66 109.67 2gum n ARG 428 Ca 0.09 0.00 0.04 0.00 -0.92 0.00 0.00 57.85 57.06 2gum n ARG 428 Cb 0.84 -0.56 -0.05 0.00 0.45 0.00 0.00 32.46 33.14 2gum n ARG 428 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 2gum n TYR 429 N -0.86 0.00 -0.32 -0.14 4.02 0.14 -4.68 117.16 115.33 2gum n TYR 429 Ca 0.00 0.00 0.34 0.00 -0.01 0.00 0.00 57.90 58.23 2gum n TYR 429 Cb 0.06 -0.02 0.73 0.00 -0.02 0.00 0.00 39.34 40.09 2gum n TYR 429 CO 0.00 0.00 0.00 -2.95 -1.01 0.00 0.00 176.86 172.90 2gum h ASN 430 N 0.00 0.03 -0.19 7.72 -1.07 -0.54 0.13 115.58 121.67 2gum h ASN 430 Ca 0.00 0.01 0.00 0.00 0.07 0.00 0.00 56.30 56.38 2gum h ASN 430 Cb 0.22 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.47 2gum h ASN 430 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.43 177.50 2gum n ALA 431 N -2.75 2.44 0.00 4.14 0.00 -1.26 -4.64 120.51 118.44 2gum n ALA 431 Ca 0.25 -0.82 0.00 0.00 0.00 0.00 0.00 53.44 52.87 2gum n ALA 431 Cb 1.22 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 19.87 2gum n ALA 431 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2gum n THR 432 N 1.35 0.00 -4.53 0.00 -1.04 0.14 -5.04 114.28 105.17 2gum n THR 432 Ca 0.16 0.00 -0.26 0.00 -2.04 0.00 0.00 64.05 61.91 2gum n THR 432 Cb 0.58 0.02 -0.08 0.00 -1.82 0.00 0.00 70.33 69.03 2gum n THR 432 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 2gum s HIS 433 N -0.64 1.80 -0.02 -1.42 3.76 0.22 -0.87 115.29 118.12 2gum s HIS 433 Ca 0.00 -1.26 0.01 0.00 -0.15 0.00 0.00 55.06 53.66 2gum s HIS 433 Cb 0.00 -1.19 0.01 0.00 1.11 0.00 0.00 32.58 32.52 2gum s HIS 433 CO 0.00 -0.26 -0.01 0.42 -0.85 0.00 0.00 174.74 174.04 2gum s ILE 434 N -3.19 0.21 0.61 0.60 1.09 0.33 -4.67 121.20 116.18 2gum s ILE 434 Ca 0.23 -0.02 -0.18 0.00 -1.10 0.00 0.00 60.65 59.58 2gum s ILE 434 Cb 0.03 -0.25 -0.03 0.00 -1.06 0.00 0.00 42.46 41.15 2gum s ILE 434 CO 0.14 0.11 1.22 -0.54 -0.10 0.00 0.00 174.94 175.77 2gum s LYS 435 N 0.52 2.87 -0.22 2.79 1.02 -1.26 -2.22 119.74 123.23 2gum s LYS 435 Ca -0.05 1.85 -0.00 0.00 0.02 0.00 0.00 55.97 57.79 2gum s LYS 435 Cb -0.08 -1.91 0.06 0.00 -0.52 0.00 0.00 37.83 35.38 2gum s LYS 435 CO -0.01 -1.30 -0.03 0.08 -0.92 0.00 0.00 175.35 173.18 2gum s VAL 436 N -1.59 1.21 0.14 3.17 1.01 -0.91 -4.92 120.40 118.50 2gum s VAL 436 Ca 0.78 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 61.77 2gum s VAL 436 Cb -0.31 -1.54 0.00 0.00 0.00 0.00 0.00 36.38 34.53 2gum s VAL 436 CO 0.35 -0.12 0.00 0.61 0.00 0.00 0.00 175.10 175.94 2gum n GLY 437 N 4.80 -2.10 3.88 4.51 0.00 -1.26 -4.33 105.19 110.69 2gum n GLY 437 Ca -0.11 -1.37 -0.32 0.00 0.00 0.00 0.00 46.02 44.22 2gum n GLY 437 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2gum s GLN 438 N -1.50 3.75 0.23 1.61 -0.21 -1.26 -4.89 119.66 117.39 2gum s GLN 438 Ca 0.00 0.17 -0.27 0.00 0.02 0.00 0.00 55.36 55.28 2gum s GLN 438 Cb 0.00 -2.70 -0.17 0.00 1.00 0.00 0.00 33.01 31.14 2gum s GLN 438 CO 0.00 0.36 0.46 -2.30 -2.12 0.00 0.00 175.29 171.69 2gum n PRO 439 N -0.07 0.02 -4.30 2.91 -0.02 -1.26 -4.95 135.00 127.32 2gum n PRO 439 Ca -0.00 0.01 -0.23 0.00 -2.02 0.00 0.00 63.50 61.25 2gum n PRO 439 Cb 0.52 -1.01 -0.08 0.00 -0.02 0.00 0.00 33.50 32.91 2gum n PRO 439 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2gum s GLN 440 N -1.01 2.22 -0.05 -0.52 -0.21 0.37 -4.94 119.66 115.52 2gum s GLN 440 Ca 0.63 -1.50 0.02 0.00 0.02 0.00 0.00 55.36 54.53 2gum s GLN 440 Cb -0.88 -2.10 0.02 0.00 1.00 0.00 0.00 33.01 31.05 2gum s GLN 440 CO 0.57 0.31 -0.07 0.71 -2.12 0.00 0.00 175.29 174.68 2gum s TYR 441 N -2.38 0.99 0.02 0.91 1.51 -1.26 -0.22 117.35 116.92 2gum s TYR 441 Ca 0.32 -0.31 0.04 0.00 -1.01 0.00 0.00 57.07 56.11 2gum s TYR 441 Cb -0.05 -0.78 -0.02 0.00 -0.11 0.00 0.00 41.96 41.00 2gum s TYR 441 CO 0.20 -0.20 -0.12 0.71 -1.11 0.00 0.00 175.55 175.02 2gum s TYR 442 N 0.73 1.08 -0.35 2.71 1.51 0.08 0.38 117.35 123.49 2gum s TYR 442 Ca -0.12 -0.30 -0.19 0.00 -1.01 0.00 0.00 57.07 55.46 2gum s TYR 442 Cb -0.14 -0.66 -0.00 0.00 -0.11 0.00 0.00 41.96 41.04 2gum s TYR 442 CO 0.01 0.01 0.54 -1.14 -1.11 0.00 0.00 175.55 173.86 2gum s GLN 443 N -0.83 3.64 0.20 -0.62 2.00 -1.26 -0.52 119.66 122.27 2gum s GLN 443 Ca 0.02 -0.11 -0.01 0.00 -2.00 0.00 0.00 55.36 53.26 2gum s GLN 443 Cb -0.07 -3.81 -0.04 0.00 0.80 0.00 0.00 33.01 29.89 2gum s GLN 443 CO 0.01 -0.66 0.39 0.00 -0.50 0.00 0.00 175.29 174.53 2gum s ALA 444 N 2.46 3.82 0.34 1.58 0.00 0.18 -4.37 121.76 125.77 2gum s ALA 444 Ca 0.20 -0.81 -0.28 0.00 0.00 0.00 0.00 51.96 51.07 2gum s ALA 444 Cb -0.15 -2.01 -0.12 0.00 0.00 0.00 0.00 23.12 20.84 2gum s ALA 444 CO 0.14 0.44 1.40 0.09 0.00 0.00 0.00 175.76 177.83 2gum n ASN 445 N -0.62 3.25 0.00 0.00 3.02 -0.17 -1.77 115.26 118.97 2gum n ASN 445 Ca -0.05 1.20 0.00 0.00 -0.03 0.00 0.00 54.58 55.71 2gum n ASN 445 Cb 0.54 -1.54 0.00 0.00 -0.61 0.00 0.00 39.78 38.17 2gum n ASN 445 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2gum n GLY 446 N 0.89 0.49 1.37 7.41 0.00 -1.26 -4.41 105.19 109.69 2gum n GLY 446 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2gum n GLY 446 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gum n GLY 447 N -1.62 0.85 3.62 -0.02 0.00 -0.73 -1.19 105.19 106.11 2gum n GLY 447 Ca 0.00 -0.61 -0.34 0.00 0.00 0.00 0.00 46.02 45.06 2gum n GLY 447 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2gum s PHE 448 N -2.13 3.22 -0.23 1.61 0.40 -1.13 -4.29 117.98 115.43 2gum s PHE 448 Ca 0.00 0.03 -0.16 0.00 -0.60 0.00 0.00 56.93 56.20 2gum s PHE 448 Cb 0.00 -2.06 -0.03 0.00 0.51 0.00 0.00 43.02 41.44 2gum s PHE 448 CO 0.00 0.14 0.44 -1.17 0.70 0.00 0.00 175.22 175.33 2gum s LEU 449 N 0.33 4.10 -0.27 -0.37 2.96 -0.46 -0.65 118.68 124.33 2gum s LEU 449 Ca 0.02 0.49 -0.06 0.00 -0.22 0.00 0.00 54.13 54.36 2gum s LEU 449 Cb -0.13 -2.56 -0.00 0.00 0.50 0.00 0.00 46.19 44.00 2gum s LEU 449 CO 0.00 -0.17 0.04 -0.63 -1.32 0.00 0.00 176.35 174.28 2gum s ILE 450 N 1.78 3.86 -0.28 6.68 1.01 0.32 0.59 121.20 135.16 2gum s ILE 450 Ca 0.19 -0.55 -0.20 0.00 0.00 0.00 0.00 60.65 60.09 2gum s ILE 450 Cb -0.15 -2.90 -0.02 0.00 0.01 0.00 0.00 42.46 39.40 2gum s ILE 450 CO 0.09 0.22 0.61 0.00 0.00 0.00 0.00 174.94 175.85 2gum s ALA 451 N 1.51 3.57 -0.04 9.38 0.00 0.62 -0.74 121.76 136.06 2gum s ALA 451 Ca 0.04 -0.56 0.06 0.00 0.00 0.00 0.00 51.96 51.49 2gum s ALA 451 Cb -0.16 -3.03 -0.01 0.00 0.00 0.00 0.00 23.12 19.92 2gum s ALA 451 CO 0.01 -0.91 -0.21 -0.47 0.00 0.00 0.00 175.76 174.18 2gum s TYR 452 N 2.51 2.06 -0.34 0.00 5.04 0.69 -0.71 117.35 126.60 2gum s TYR 452 Ca 0.25 -0.56 0.03 0.00 -2.44 0.00 0.00 57.07 54.34 2gum s TYR 452 Cb -0.15 -1.36 0.10 0.00 0.35 0.00 0.00 41.96 40.90 2gum s TYR 452 CO 0.10 -0.16 0.06 -1.14 -1.34 0.00 0.00 175.55 173.07 2gum s GLN 453 N -0.15 1.31 0.62 4.97 2.00 0.19 -0.48 119.66 128.11 2gum s GLN 453 Ca -0.01 -1.70 -0.18 0.00 -2.00 0.00 0.00 55.36 51.46 2gum s GLN 453 Cb -0.12 -2.92 -0.04 0.00 0.80 0.00 0.00 33.01 30.73 2gum s GLN 453 CO 0.02 -0.95 1.02 -2.30 -0.50 0.00 0.00 175.29 172.58 2gum n PRO 454 N 4.37 0.90 -1.13 1.67 -0.02 -1.26 -0.83 135.00 138.69 2gum n PRO 454 Ca 0.03 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 2gum n PRO 454 Cb 0.42 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 2gum n PRO 454 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2gum n LEU 455 N -1.05 0.00 0.00 2.45 4.77 -0.38 -2.14 117.00 120.65 2gum n LEU 455 Ca 0.14 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 2gum n LEU 455 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 2gum n LEU 455 CO 0.48 0.00 0.00 -0.11 -1.33 0.00 0.00 177.39 176.43 2gum n LEU 456 N 0.00 0.00 -4.73 2.23 7.94 -0.94 -4.71 117.00 116.79 2gum n LEU 456 Ca 0.00 0.00 -0.42 0.00 -1.11 0.00 0.00 56.01 54.48 2gum n LEU 456 Cb 0.00 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 43.92 2gum n LEU 456 CO 0.00 0.00 1.27 -0.94 -1.11 0.00 0.00 177.39 176.61 2gum s SER 457 N 0.00 6.47 0.30 1.96 1.04 -1.26 -0.51 113.70 121.69 2gum s SER 457 Ca 0.00 2.79 0.03 0.00 0.48 0.00 0.00 55.95 59.25 2gum s SER 457 Cb 0.00 -2.61 0.76 0.00 0.10 0.00 0.00 66.02 64.27 2gum s SER 457 CO 0.00 -0.88 1.61 0.78 0.98 0.00 0.00 173.24 175.73 2gum h ASN 458 N 6.07 -0.16 -1.01 7.02 2.35 -1.32 -3.47 115.58 125.07 2gum h ASN 458 Ca -0.44 0.23 0.30 0.00 -0.55 0.00 0.00 56.30 55.84 2gum h ASN 458 Cb 1.21 0.35 -0.05 0.00 0.05 0.00 0.00 38.32 39.87 2gum h ASN 458 CO 0.88 -0.25 0.71 0.41 -1.65 0.00 0.00 177.43 177.53 2gum n THR 459 N -5.33 -0.04 -4.14 2.81 -1.04 -1.26 -5.09 114.28 100.20 2gum n THR 459 Ca 0.23 0.87 -0.34 0.00 -2.04 0.00 0.00 64.05 62.77 2gum n THR 459 Cb 0.75 -1.45 -0.15 0.00 -1.82 0.00 0.00 70.33 67.66 2gum n THR 459 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2gum s VAL 492 N -4.16 2.90 0.26 12.58 1.01 -1.25 -5.18 120.40 126.55 2gum s VAL 492 Ca -0.03 -0.66 -0.12 0.00 0.00 0.00 0.00 61.98 61.17 2gum s VAL 492 Cb 0.15 -2.28 -0.00 0.00 0.00 0.00 0.00 36.38 34.26 2gum s VAL 492 CO 0.48 0.48 0.47 -1.83 0.00 0.00 0.00 175.10 174.70 2gum s GLU 493 N 1.22 1.58 -0.14 2.72 -1.05 -0.78 -4.87 118.70 117.37 2gum s GLU 493 Ca 0.02 -1.31 -0.05 0.00 -0.15 0.00 0.00 54.97 53.49 2gum s GLU 493 Cb -0.14 0.47 -0.04 0.00 -0.44 0.00 0.00 34.13 33.98 2gum s GLU 493 CO -0.05 -0.66 0.03 1.03 0.95 0.00 0.00 175.26 176.57 2gum s ARG 494 N -3.91 3.58 0.11 -4.83 0.52 -1.26 -2.06 118.95 111.10 2gum s ARG 494 Ca 0.23 -0.37 -0.30 0.00 -0.52 0.00 0.00 55.73 54.77 2gum s ARG 494 Cb -0.00 -3.03 -0.06 0.00 0.52 0.00 0.00 34.95 32.37 2gum s ARG 494 CO 0.10 0.44 0.97 0.42 0.02 0.00 0.00 175.30 177.25 2gum s ILE 495 N -0.14 4.49 -0.21 1.52 1.01 -1.26 -5.03 121.20 121.57 2gum s ILE 495 Ca 0.06 2.06 -0.08 0.00 0.00 0.00 0.00 60.65 62.69 2gum s ILE 495 Cb -0.12 -4.31 -0.04 0.00 0.01 0.00 0.00 42.46 37.99 2gum s ILE 495 CO 0.02 0.31 0.08 -0.54 0.00 0.00 0.00 174.94 174.80 2gum s LYS 496 N 0.03 3.88 -0.11 2.79 -0.14 -1.26 -4.57 119.74 120.35 2gum s LYS 496 Ca 0.47 -0.38 -0.01 0.00 -1.36 0.00 0.00 55.97 54.69 2gum s LYS 496 Cb -0.23 -3.29 -0.03 0.00 -1.68 0.00 0.00 37.83 32.60 2gum s LYS 496 CO 0.30 0.10 -0.07 0.99 -0.76 0.00 0.00 175.35 175.90 2gum s THR 497 N 0.87 3.62 0.53 2.17 2.01 -1.26 -4.04 115.64 119.54 2gum s THR 497 Ca 0.04 -0.48 -0.20 0.00 0.31 0.00 0.00 61.69 61.36 2gum s THR 497 Cb -0.14 -2.53 -0.06 0.00 0.01 0.00 0.00 72.50 69.79 2gum s THR 497 CO 0.03 0.54 1.14 0.28 -0.69 0.00 0.00 174.62 175.92 2gum s THR 498 N -0.13 3.14 -2.14 -0.82 -1.32 -0.33 -4.89 115.64 109.15 2gum s THR 498 Ca 0.01 0.74 0.22 0.00 -1.21 0.00 0.00 61.69 61.46 2gum s THR 498 Cb -0.13 -3.31 0.56 0.00 -1.51 0.00 0.00 72.50 68.11 2gum s THR 498 CO 0.03 -0.13 1.74 -1.20 -2.21 0.00 0.00 174.62 172.85 2gum n SER 499 N -1.14 0.69 -4.06 8.08 7.64 -1.26 -4.77 113.62 118.79 2gum n SER 499 Ca 0.11 -1.46 -0.31 0.00 1.01 0.00 0.00 58.87 58.21 2gum n SER 499 Cb 0.50 -0.03 -0.16 0.00 -1.01 0.00 0.00 64.21 63.51 2gum n SER 499 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2gum s SER 500 N -1.68 3.09 0.00 6.43 0.15 -1.26 -4.97 113.70 115.45 2gum s SER 500 Ca 0.33 -0.67 0.27 0.00 0.70 0.00 0.00 55.95 56.58 2gum s SER 500 Cb 0.16 -1.33 0.81 0.00 -1.71 0.00 0.00 66.02 63.95 2gum s SER 500 CO 0.26 -0.06 1.60 0.00 1.20 0.00 0.00 173.24 176.25 2gum n ILE 501 N 4.68 0.00 -0.28 6.45 0.13 -1.26 -4.46 119.36 124.62 2gum n ILE 501 Ca -0.18 -0.14 0.08 0.00 -1.10 0.00 0.00 62.75 61.41 2gum n ILE 501 Cb 0.49 0.38 0.23 0.00 -0.84 0.00 0.00 39.64 39.90 2gum n ILE 501 CO 0.00 0.00 0.00 -0.33 2.80 0.00 0.00 176.55 179.02 2gum h GLU 502 N 1.30 0.48 -0.77 9.51 4.39 -2.00 -2.14 114.58 125.35 2gum h GLU 502 Ca 0.00 -0.03 0.12 0.00 0.34 0.00 0.00 59.36 59.79 2gum h GLU 502 Cb 0.50 -0.11 -0.08 0.00 -0.10 0.00 0.00 28.75 28.96 2gum h GLU 502 CO 0.00 0.32 0.37 0.27 -1.16 0.00 0.00 179.01 178.81 2gum h PHE 503 N 0.49 0.65 0.00 4.33 -5.15 -2.00 -0.49 116.94 114.77 2gum h PHE 503 Ca 0.47 0.03 -0.06 0.00 -0.20 0.00 0.00 57.97 58.21 2gum h PHE 503 Cb 0.74 -0.17 -0.01 0.00 0.22 0.00 0.00 35.95 36.73 2gum h PHE 503 CO -0.14 0.17 -0.30 0.00 -2.00 0.00 0.00 178.31 176.05 2gum h ALA 504 N 1.50 1.03 0.13 12.09 0.00 -1.66 -0.37 119.26 131.99 2gum h ALA 504 Ca 0.40 -0.27 -0.29 0.00 0.00 0.00 0.00 54.91 54.76 2gum h ALA 504 Cb 0.53 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2gum h ALA 504 CO -0.33 0.37 -1.37 0.00 0.00 0.00 0.00 179.25 177.92 2gum h ARG 505 N 0.00 0.27 -0.66 0.00 3.08 -1.17 -1.51 114.38 114.39 2gum h ARG 505 Ca -0.00 -0.46 -0.06 0.00 0.07 0.00 0.00 59.98 59.53 2gum h ARG 505 Cb 0.80 0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.99 2gum h ARG 505 CO 0.04 1.18 0.18 -0.07 -1.07 0.00 0.00 179.97 180.22 2gum h LEU 506 N 0.07 0.99 0.12 3.04 3.38 -0.97 0.22 115.31 122.16 2gum h LEU 506 Ca -0.18 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 57.57 2gum h LEU 506 Cb 1.99 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 42.47 2gum h LEU 506 CO 0.19 0.95 -0.13 -0.61 0.09 0.00 0.00 178.44 178.93 2gum h GLN 507 N 0.97 -0.28 -0.52 1.13 5.75 -1.02 0.43 115.11 121.57 2gum h GLN 507 Ca 0.21 0.02 0.05 0.00 -0.15 0.00 0.00 58.65 58.78 2gum h GLN 507 Cb 0.34 0.06 -0.05 0.00 1.07 0.00 0.00 27.48 28.91 2gum h GLN 507 CO -0.00 -0.19 0.26 0.35 -2.65 0.00 0.00 178.83 176.60 2gum h PHE 508 N -0.29 0.47 -0.21 3.99 3.57 -0.88 0.96 116.94 124.55 2gum h PHE 508 Ca 0.01 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.50 2gum h PHE 508 Cb 0.28 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 2gum h PHE 508 CO -0.13 0.22 0.03 1.15 -2.23 0.00 0.00 178.31 177.35 2gum h THR 509 N 0.50 1.23 0.07 4.41 2.02 -0.02 -1.09 112.91 120.03 2gum h THR 509 Ca 0.23 -0.75 -0.00 0.00 0.77 0.00 0.00 66.41 66.66 2gum h THR 509 Cb 0.16 1.33 0.00 0.00 -1.74 0.00 0.00 68.15 67.90 2gum h THR 509 CO -0.17 0.23 -0.04 0.22 0.37 0.00 0.00 175.52 176.13 2gum h TYR 510 N 0.14 -0.09 -0.74 3.16 5.03 0.06 -2.13 116.97 122.40 2gum h TYR 510 Ca 0.06 -0.00 0.07 0.00 2.58 0.00 0.00 58.73 61.44 2gum h TYR 510 Cb 0.32 0.03 -0.06 0.00 1.55 0.00 0.00 36.73 38.57 2gum h TYR 510 CO 0.02 -0.05 0.43 -0.91 -1.32 0.00 0.00 178.16 176.33 2gum h ASN 511 N -0.10 0.64 -0.31 -2.11 4.21 -0.69 0.15 115.58 117.37 2gum h ASN 511 Ca -0.01 0.03 -0.02 0.00 1.21 0.00 0.00 56.30 57.51 2gum h ASN 511 Cb 0.08 -0.10 -0.01 0.00 -1.12 0.00 0.00 38.32 37.17 2gum h ASN 511 CO 0.02 0.41 0.13 -0.74 -1.29 0.00 0.00 177.43 175.95 2gum h HIS 512 N 0.78 0.47 -0.34 1.19 2.76 -1.02 -0.78 115.15 118.20 2gum h HIS 512 Ca 0.34 -0.03 -0.08 0.00 -2.20 0.00 0.00 60.37 58.39 2gum h HIS 512 Cb 0.21 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 29.02 2gum h HIS 512 CO -0.06 0.44 -0.10 0.82 -1.30 0.00 0.00 177.93 177.73 2gum h ILE 513 N 0.36 1.28 -0.12 6.26 2.04 -0.93 -2.75 117.51 123.65 2gum h ILE 513 Ca 0.10 -1.17 0.04 0.00 1.00 0.00 0.00 64.86 64.83 2gum h ILE 513 Cb 0.16 1.34 -0.04 0.00 -0.74 0.00 0.00 36.82 37.55 2gum h ILE 513 CO -0.01 0.38 -0.11 -0.61 0.00 0.00 0.00 178.15 177.80 2gum h GLN 514 N 0.45 -0.12 -0.58 2.37 4.15 -0.60 -0.20 115.11 120.58 2gum h GLN 514 Ca 0.08 0.01 0.10 0.00 0.77 0.00 0.00 58.65 59.61 2gum h GLN 514 Cb 0.61 0.03 -0.08 0.00 0.21 0.00 0.00 27.48 28.25 2gum h GLN 514 CO 0.04 -0.08 0.15 -0.09 -1.93 0.00 0.00 178.83 176.91 2gum h ARG 515 N -0.12 0.28 0.09 1.69 2.43 -1.12 -0.96 114.38 116.65 2gum h ARG 515 Ca 0.08 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.23 2gum h ARG 515 Cb 0.24 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 2gum h ARG 515 CO -0.20 0.18 -0.04 1.25 -1.51 0.00 0.00 179.97 179.66 2gum h HIS 516 N 0.29 -0.11 -0.58 2.20 2.76 -1.05 -1.22 115.15 117.44 2gum h HIS 516 Ca 0.30 -0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.39 2gum h HIS 516 Cb 0.42 0.04 -0.02 0.00 1.55 0.00 0.00 27.41 29.39 2gum h HIS 516 CO -0.22 0.17 0.08 -0.39 -1.30 0.00 0.00 177.93 176.26 2gum h VAL 517 N -0.38 1.26 -0.58 5.26 -1.51 -0.87 -1.59 116.25 117.84 2gum h VAL 517 Ca -0.01 -1.01 -0.00 0.00 -1.23 0.00 0.00 66.70 64.44 2gum h VAL 517 Cb 0.32 0.78 -0.03 0.00 -2.13 0.00 0.00 31.29 30.23 2gum h VAL 517 CO 0.02 0.37 0.34 0.78 -1.23 0.00 0.00 177.57 177.85 2gum h ASN 518 N 0.87 0.70 0.35 4.19 2.35 -1.19 0.20 115.58 123.06 2gum h ASN 518 Ca 0.18 -0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.85 2gum h ASN 518 Cb 0.44 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.63 2gum h ASN 518 CO 0.01 0.56 -0.21 -0.78 -1.65 0.00 0.00 177.43 175.36 2gum h ASP 519 N 0.78 -0.53 -0.09 5.81 3.58 -0.98 -0.09 116.42 124.90 2gum h ASP 519 Ca 0.21 0.03 -0.02 0.00 0.42 0.00 0.00 57.03 57.67 2gum h ASP 519 Cb -0.01 0.16 -0.00 0.00 1.72 0.00 0.00 39.33 41.20 2gum h ASP 519 CO -0.04 -0.34 -0.01 0.24 -2.88 0.00 0.00 179.24 176.21 2gum h MET 520 N -0.54 0.17 0.00 0.28 2.86 -1.11 -1.90 114.93 114.68 2gum h MET 520 Ca -0.04 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.51 2gum h MET 520 Cb 0.45 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.09 2gum h MET 520 CO 0.04 0.46 -0.14 -0.07 1.06 0.00 0.00 176.91 178.26 2gum h LEU 521 N -0.14 0.00 -0.29 1.22 3.38 -0.64 -0.35 115.31 118.50 2gum h LEU 521 Ca 0.02 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.88 2gum h LEU 521 Cb 0.40 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 2gum h LEU 521 CO 0.01 0.14 -0.27 1.23 0.09 0.00 0.00 178.44 179.63 2gum h GLY 522 N 0.84 0.76 1.34 0.83 0.00 -0.82 -0.49 103.07 105.53 2gum h GLY 522 Ca -0.00 -0.77 -0.05 0.00 0.00 0.00 0.00 47.33 46.51 2gum h GLY 522 CO 0.02 0.69 0.14 3.21 0.00 0.00 0.00 176.54 180.60 2gum h ARG 523 N 0.44 0.84 -0.45 4.80 3.08 -0.46 -1.28 114.38 121.34 2gum h ARG 523 Ca 0.05 -0.17 -0.02 0.00 0.07 0.00 0.00 59.98 59.91 2gum h ARG 523 Cb 0.84 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.74 2gum h ARG 523 CO 0.07 0.75 0.20 0.28 -1.07 0.00 0.00 179.97 180.19 2gum h VAL 524 N 0.81 1.20 -0.82 2.04 2.07 -0.73 -1.00 116.25 119.81 2gum h VAL 524 Ca 0.18 -0.58 0.03 0.00 0.82 0.00 0.00 66.70 67.15 2gum h VAL 524 Cb 0.28 0.74 -0.05 0.00 -1.52 0.00 0.00 31.29 30.74 2gum h VAL 524 CO -0.00 0.22 0.52 0.00 0.02 0.00 0.00 177.57 178.33 2gum h ALA 525 N 1.04 1.08 -0.29 1.67 0.00 -0.48 0.32 119.26 122.60 2gum h ALA 525 Ca 0.15 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 2gum h ALA 525 Cb 0.16 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2gum h ALA 525 CO -0.02 0.34 -0.02 0.82 0.00 0.00 0.00 179.25 180.37 2gum h ILE 526 N 1.01 1.27 -0.25 0.00 2.04 -0.97 -2.25 117.51 118.35 2gum h ILE 526 Ca 0.33 -0.99 -0.08 0.00 1.00 0.00 0.00 64.86 65.11 2gum h ILE 526 Cb 0.02 1.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 2gum h ILE 526 CO -0.12 0.32 -0.20 0.00 0.00 0.00 0.00 178.15 178.14 2gum h ALA 527 N 0.81 1.18 -0.54 1.87 0.00 -0.84 -1.19 119.26 120.55 2gum h ALA 527 Ca 0.08 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 2gum h ALA 527 Cb 0.47 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2gum h ALA 527 CO 0.02 0.52 0.18 2.35 0.00 0.00 0.00 179.25 182.32 2gum h TRP 528 N 0.41 0.87 -0.51 0.00 2.91 -0.78 0.17 115.95 119.02 2gum h TRP 528 Ca 0.07 -0.08 -0.07 0.00 1.13 0.00 0.00 58.89 59.93 2gum h TRP 528 Cb 0.59 -0.25 -0.02 0.00 -0.51 0.00 0.00 29.16 28.97 2gum h TRP 528 CO 0.02 0.73 0.03 0.00 -1.03 0.00 0.00 178.44 178.19 2gum h GLU 530 N 0.76 0.38 -0.72 0.00 5.08 -0.98 -1.95 114.58 117.14 2gum h GLU 530 Ca 0.15 -0.05 0.04 0.00 -1.00 0.00 0.00 59.36 58.50 2gum h GLU 530 Cb 0.47 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.61 2gum h GLU 530 CO 0.02 0.34 0.44 1.25 -1.00 0.00 0.00 179.01 180.07 2gum h LEU 531 N 0.31 0.72 -0.50 1.33 5.85 -0.72 -0.36 115.31 121.95 2gum h LEU 531 Ca 0.09 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 2gum h LEU 531 Cb 0.08 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 2gum h LEU 531 CO -0.01 0.49 0.27 1.56 -0.34 0.00 0.00 178.44 180.41 2gum h GLN 532 N 0.86 0.70 -0.59 1.25 1.08 -1.05 -0.15 115.11 117.22 2gum h GLN 532 Ca 0.29 -0.08 -0.04 0.00 -1.45 0.00 0.00 58.65 57.36 2gum h GLN 532 Cb 0.05 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 27.31 2gum h GLN 532 CO -0.12 0.55 0.19 -0.91 -0.95 0.00 0.00 178.83 177.60 2gum h ASN 533 N 0.67 0.84 -0.34 1.46 2.35 -0.95 -2.94 115.58 116.67 2gum h ASN 533 Ca 0.18 -0.20 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 2gum h ASN 533 Cb 0.06 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.19 2gum h ASN 533 CO -0.03 0.82 0.23 -0.74 -1.65 0.00 0.00 177.43 176.06 2gum h HIS 534 N 0.82 0.43 -0.54 1.19 2.76 -0.78 -2.90 115.15 116.14 2gum h HIS 534 Ca 0.19 0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.42 2gum h HIS 534 Cb 0.27 -0.15 -0.03 0.00 1.55 0.00 0.00 27.41 29.05 2gum h HIS 534 CO 0.02 0.28 0.36 0.93 -1.30 0.00 0.00 177.93 178.21 2gum h GLU 535 N 0.46 0.54 -0.87 5.26 4.39 -0.86 -2.82 114.58 120.69 2gum h GLU 535 Ca 0.13 -0.03 0.23 0.00 0.34 0.00 0.00 59.36 60.02 2gum h GLU 535 Cb -0.05 -0.12 -0.13 0.00 -0.10 0.00 0.00 28.75 28.35 2gum h GLU 535 CO -0.03 0.36 0.28 1.25 -1.16 0.00 0.00 179.01 179.71 2gum h LEU 536 N 0.55 0.10 -1.20 1.33 5.85 -1.36 0.36 115.31 120.94 2gum h LEU 536 Ca 0.23 0.18 0.15 0.00 0.84 0.00 0.00 57.88 59.28 2gum h LEU 536 Cb 0.20 0.22 -0.08 0.00 0.37 0.00 0.00 40.66 41.37 2gum h LEU 536 CO -0.06 -0.10 0.60 0.74 -0.34 0.00 0.00 178.44 179.27 2gum h THR 537 N 0.27 0.82 -0.16 1.05 2.02 -1.66 0.28 112.91 115.53 2gum h THR 537 Ca 0.54 -0.26 -0.14 0.00 0.77 0.00 0.00 66.41 67.33 2gum h THR 537 Cb 1.07 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.49 2gum h THR 537 CO -0.61 0.14 -0.44 -0.07 0.37 0.00 0.00 175.52 174.91 2gum h LEU 538 N 0.75 0.67 -1.54 2.58 3.38 -0.48 -3.04 115.31 117.62 2gum h LEU 538 Ca 0.48 -0.58 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 2gum h LEU 538 Cb 0.74 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 2gum h LEU 538 CO -0.24 1.13 0.23 -0.50 0.09 0.00 0.00 178.44 179.15 2gum h TRP 539 N 0.23 0.51 -0.15 1.13 4.06 -0.32 0.15 115.95 121.57 2gum h TRP 539 Ca -0.01 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 60.90 2gum h TRP 539 Cb 1.06 -0.17 -0.01 0.00 -1.00 0.00 0.00 29.16 29.04 2gum h TRP 539 CO 0.10 0.35 -0.08 -0.91 -3.56 0.00 0.00 178.44 174.34 2gum h ASN 540 N 0.54 0.20 0.15 -3.49 2.35 -0.41 -1.22 115.58 113.71 2gum h ASN 540 Ca 0.14 -0.03 -0.28 0.00 -0.55 0.00 0.00 56.30 55.58 2gum h ASN 540 Cb -0.00 -0.05 0.01 0.00 0.05 0.00 0.00 38.32 38.32 2gum h ASN 540 CO -0.03 0.32 -1.39 -0.33 -1.65 0.00 0.00 177.43 174.35 2gum h GLU 541 N 0.21 0.32 -0.43 0.81 4.39 -1.29 -3.33 114.58 115.27 2gum h GLU 541 Ca 0.05 -0.55 0.07 0.00 0.34 0.00 0.00 59.36 59.26 2gum h GLU 541 Cb 0.29 0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 29.12 2gum h GLU 541 CO 0.01 1.27 0.29 0.00 -1.16 0.00 0.00 179.01 179.42 2gum h ALA 542 N 0.04 2.02 -0.35 3.43 0.00 -0.83 -2.30 119.26 121.26 2gum h ALA 542 Ca -0.28 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.52 2gum h ALA 542 Cb 1.86 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.57 2gum h ALA 542 CO 0.13 -0.10 -0.18 0.07 0.00 0.00 0.00 179.25 179.17 2gum h ARG 543 N 0.30 0.66 0.00 0.00 0.11 -1.33 -2.43 114.38 111.69 2gum h ARG 543 Ca 0.19 -0.23 -0.07 0.00 0.10 0.00 0.00 59.98 59.97 2gum h ARG 543 Cb 0.37 -0.05 -0.01 0.00 1.11 0.00 0.00 29.97 31.40 2gum h ARG 543 CO -0.04 0.80 -0.32 0.87 0.10 0.00 0.00 179.97 181.38 2gum h LYS 544 N 0.59 0.00 0.20 0.08 1.57 -1.54 -2.32 116.57 115.15 2gum h LYS 544 Ca 0.09 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.56 2gum h LYS 544 Cb 0.63 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.97 2gum h LYS 544 CO 0.04 0.32 -1.42 -0.07 -0.57 0.00 0.00 179.45 177.75 2gum h LEU 545 N 0.00 0.67 -5.62 2.94 3.38 -1.37 -3.42 115.31 111.89 2gum h LEU 545 Ca -0.00 -0.74 -0.40 0.00 0.09 0.00 0.00 57.88 56.83 2gum h LEU 545 Cb 0.69 -0.22 -0.28 0.00 0.09 0.00 0.00 40.66 40.95 2gum h LEU 545 CO 0.04 1.58 -0.81 -3.20 0.09 0.00 0.00 178.44 176.15 2gum n ASN 546 N -3.63 -1.42 -0.28 -0.43 2.85 -0.95 -5.02 115.26 106.38 2gum n ASN 546 Ca -0.14 -2.85 0.08 0.00 -0.11 0.00 0.00 54.58 51.56 2gum n ASN 546 Cb 1.07 0.47 0.22 0.00 1.24 0.00 0.00 39.78 42.79 2gum n ASN 546 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2gum h PRO 547 N 4.46 0.46 0.24 1.20 0.13 -1.65 -1.89 132.00 134.95 2gum h PRO 547 Ca 0.04 -0.03 0.01 0.00 -0.87 0.00 0.00 66.00 65.15 2gum h PRO 547 Cb 0.96 -0.10 -0.03 0.00 0.13 0.00 0.00 31.00 31.96 2gum h PRO 547 CO 0.34 0.30 -0.33 -0.91 -0.23 0.00 0.00 178.00 177.17 2gum h ASN 548 N 0.47 -0.91 -0.07 1.44 4.21 -1.86 0.19 115.58 119.05 2gum h ASN 548 Ca 0.46 0.09 0.00 0.00 1.21 0.00 0.00 56.30 58.06 2gum h ASN 548 Cb 0.74 0.32 -0.00 0.00 -1.12 0.00 0.00 38.32 38.26 2gum h ASN 548 CO -0.43 -0.44 0.05 0.00 -1.29 0.00 0.00 177.43 175.32 2gum h ALA 549 N -0.05 0.09 -0.49 -0.83 0.00 -1.79 0.20 119.26 116.39 2gum h ALA 549 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2gum h ALA 549 Cb 0.60 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2gum h ALA 549 CO -0.12 -0.41 0.21 0.82 0.00 0.00 0.00 179.25 179.75 2gum h ILE 550 N 0.09 1.21 -0.74 0.00 5.03 -1.23 -1.72 117.51 120.14 2gum h ILE 550 Ca 0.03 -0.62 -0.06 0.00 -0.12 0.00 0.00 64.86 64.08 2gum h ILE 550 Cb 0.01 0.71 -0.03 0.00 -3.03 0.00 0.00 36.82 34.47 2gum h ILE 550 CO -0.01 0.24 0.22 0.00 -0.68 0.00 0.00 178.15 177.92 2gum h ALA 551 N 1.05 0.97 -0.54 1.87 0.00 -0.48 -0.77 119.26 121.36 2gum h ALA 551 Ca 0.16 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 2gum h ALA 551 Cb 0.17 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 2gum h ALA 551 CO -0.02 0.66 0.16 0.77 0.00 0.00 0.00 179.25 180.83 2gum h SER 552 N 1.10 0.74 -0.12 0.00 0.02 -0.22 0.54 113.55 115.62 2gum h SER 552 Ca 0.24 -0.11 -0.07 0.00 -0.84 0.00 0.00 61.79 61.00 2gum h SER 552 Cb 0.32 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.67 2gum h SER 552 CO -0.01 0.70 -0.21 0.58 -1.14 0.00 0.00 176.83 176.76 2gum h VAL 553 N 0.78 1.38 -0.32 2.27 2.07 -0.95 -0.84 116.25 120.64 2gum h VAL 553 Ca 0.18 -1.47 -0.09 0.00 0.82 0.00 0.00 66.70 66.14 2gum h VAL 553 Cb 0.23 2.05 -0.01 0.00 -1.52 0.00 0.00 31.29 32.05 2gum h VAL 553 CO -0.01 0.43 -0.16 0.74 0.02 0.00 0.00 177.57 178.59 2gum h THR 554 N -0.07 1.29 -0.10 2.57 2.02 -0.85 -3.14 112.91 114.63 2gum h THR 554 Ca 0.01 -1.26 -0.14 0.00 0.77 0.00 0.00 66.41 65.78 2gum h THR 554 Cb 0.79 1.43 -0.01 0.00 -1.74 0.00 0.00 68.15 68.62 2gum h THR 554 CO 0.05 0.41 -0.56 0.58 0.37 0.00 0.00 175.52 176.36 2gum h VAL 555 N 0.43 1.36 0.00 3.16 2.07 0.01 -3.48 116.25 119.80 2gum h VAL 555 Ca 0.07 -1.88 0.00 0.00 0.82 0.00 0.00 66.70 65.71 2gum h VAL 555 Cb 0.68 1.91 0.00 0.00 -1.52 0.00 0.00 31.29 32.36 2gum h VAL 555 CO 0.05 0.56 0.00 0.61 0.02 0.00 0.00 177.57 178.81 2gum n GLY 556 N 0.20 0.72 3.35 2.17 0.00 -0.35 -5.07 105.19 106.21 2gum n GLY 556 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 2gum n GLY 556 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2gum s ARG 557 N -0.94 1.09 -0.04 1.61 1.70 -1.04 -5.01 118.95 116.31 2gum s ARG 557 Ca 0.00 -0.53 -0.29 0.00 -0.47 0.00 0.00 55.73 54.43 2gum s ARG 557 Cb 0.00 0.49 -0.08 0.00 -0.57 0.00 0.00 34.95 34.79 2gum s ARG 557 CO 0.00 -0.43 2.02 1.03 -1.08 0.00 0.00 175.30 176.85 2gum s ARG 558 N -3.41 3.84 0.26 3.89 1.81 -1.26 -4.36 118.95 119.72 2gum s ARG 558 Ca 0.00 2.41 0.01 0.00 -1.72 0.00 0.00 55.73 56.44 2gum s ARG 558 Cb 0.01 -4.22 -0.05 0.00 -0.45 0.00 0.00 34.95 30.24 2gum s ARG 558 CO -0.09 -1.29 0.10 0.14 -0.68 0.00 0.00 175.30 173.47 2gum s VAL 559 N 5.58 0.56 0.13 3.52 -7.23 -1.26 -2.71 120.40 118.99 2gum s VAL 559 Ca 0.91 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 59.13 2gum s VAL 559 Cb -0.39 -2.64 -0.04 0.00 0.56 0.00 0.00 36.38 33.87 2gum s VAL 559 CO 0.39 -0.00 0.06 -0.55 -0.31 0.00 0.00 175.10 174.69 2gum s SER 560 N -3.31 5.21 0.19 4.85 0.15 0.34 -4.71 113.70 116.40 2gum s SER 560 Ca 0.38 -0.18 -0.23 0.00 0.70 0.00 0.00 55.95 56.62 2gum s SER 560 Cb 0.08 -1.28 0.06 0.00 -1.71 0.00 0.00 66.02 63.17 2gum s SER 560 CO 0.14 0.12 0.63 0.00 1.20 0.00 0.00 173.24 175.32 2gum s ALA 561 N -1.56 -1.52 -0.28 5.45 0.00 -1.26 -1.39 121.76 121.20 2gum s ALA 561 Ca 0.28 0.32 -0.23 0.00 0.00 0.00 0.00 51.96 52.33 2gum s ALA 561 Cb -0.11 0.88 0.12 0.00 0.00 0.00 0.00 23.12 24.02 2gum s ALA 561 CO 0.21 -0.83 1.01 -0.98 0.00 0.00 0.00 175.76 175.17 2gum s ARG 562 N -3.78 0.50 0.45 0.00 1.70 -1.00 -4.30 118.95 112.51 2gum s ARG 562 Ca 0.03 0.63 -0.24 0.00 -0.47 0.00 0.00 55.73 55.68 2gum s ARG 562 Cb -0.02 0.22 -0.07 0.00 -0.57 0.00 0.00 34.95 34.51 2gum s ARG 562 CO -0.09 -0.07 1.27 -1.64 -1.08 0.00 0.00 175.30 173.70 2gum s MET 563 N 0.44 3.72 -0.50 3.89 -1.94 -1.26 -2.12 119.30 121.52 2gum s MET 563 Ca 0.01 2.06 0.08 0.00 -1.71 0.00 0.00 55.69 56.12 2gum s MET 563 Cb -0.05 -2.54 0.33 0.00 2.01 0.00 0.00 34.83 34.59 2gum s MET 563 CO -0.08 -0.67 0.84 1.28 -0.01 0.00 0.00 175.02 176.38 2gum n LEU 564 N -0.32 2.96 0.00 -0.03 4.77 -0.14 -4.87 117.00 119.37 2gum n LEU 564 Ca 0.06 -5.39 0.00 0.00 -0.03 0.00 0.00 56.01 50.66 2gum n LEU 564 Cb 0.45 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 2gum n LEU 564 CO 0.53 2.30 0.00 0.61 -1.33 0.00 0.00 177.39 179.49 2gum n GLY 565 N 0.10 1.25 1.40 -0.72 0.00 -1.26 -3.88 105.19 102.08 2gum n GLY 565 Ca 0.28 -0.96 0.09 0.00 0.00 0.00 0.00 46.02 45.43 2gum n GLY 565 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2gum n ASP 566 N 2.86 4.48 -4.28 1.61 8.00 -1.26 -4.93 116.55 123.03 2gum n ASP 566 Ca 0.00 -2.49 -0.16 0.00 0.71 0.00 0.00 54.79 52.85 2gum n ASP 566 Cb 0.00 -0.54 -0.10 0.00 -0.02 0.00 0.00 41.12 40.46 2gum n ASP 566 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2gum s VAL 567 N -1.91 1.41 -0.15 2.53 0.11 -1.25 -4.98 120.40 116.16 2gum s VAL 567 Ca 0.47 -2.05 -0.05 0.00 -2.93 0.00 0.00 61.98 57.43 2gum s VAL 567 Cb 0.31 -1.86 -0.03 0.00 -1.53 0.00 0.00 36.38 33.27 2gum s VAL 567 CO 0.21 -0.62 0.00 -0.32 -3.33 0.00 0.00 175.10 171.04 2gum s MET 568 N -3.49 3.65 -0.21 1.54 1.75 -0.32 -0.96 119.30 121.27 2gum s MET 568 Ca 0.17 -0.44 -0.11 0.00 -1.25 0.00 0.00 55.69 54.07 2gum s MET 568 Cb -0.00 -2.99 -0.05 0.00 2.84 0.00 0.00 34.83 34.63 2gum s MET 568 CO 0.03 0.34 0.16 0.00 -0.65 0.00 0.00 175.02 174.90 2gum s ALA 569 N 0.13 3.66 0.09 4.11 0.00 -0.90 0.81 121.76 129.66 2gum s ALA 569 Ca 0.01 -0.72 0.06 0.00 0.00 0.00 0.00 51.96 51.31 2gum s ALA 569 Cb -0.13 -2.23 -0.03 0.00 0.00 0.00 0.00 23.12 20.72 2gum s ALA 569 CO 0.02 0.06 -0.15 0.14 0.00 0.00 0.00 175.76 175.82 2gum s VAL 570 N 0.56 1.27 -0.09 0.00 -7.23 -0.21 -2.39 120.40 112.32 2gum s VAL 570 Ca 0.09 -1.46 -0.07 0.00 -1.81 0.00 0.00 61.98 58.73 2gum s VAL 570 Cb -0.12 -1.28 0.03 0.00 0.56 0.00 0.00 36.38 35.57 2gum s VAL 570 CO 0.00 -0.26 0.22 -0.94 -0.31 0.00 0.00 175.10 173.82 2gum s SER 571 N -1.97 -0.23 0.63 4.85 1.04 -0.49 -4.14 113.70 113.38 2gum s SER 571 Ca 0.02 0.46 -0.18 0.00 0.48 0.00 0.00 55.95 56.73 2gum s SER 571 Cb -0.08 0.43 -0.02 0.00 0.10 0.00 0.00 66.02 66.45 2gum s SER 571 CO 0.03 -0.10 1.23 -0.89 0.98 0.00 0.00 173.24 174.49 2gum s THR 572 N 0.43 2.44 0.18 2.02 2.01 -1.26 0.13 115.64 121.59 2gum s THR 572 Ca -0.03 0.26 0.04 0.00 0.31 0.00 0.00 61.69 62.28 2gum s THR 572 Cb -0.04 -3.06 -0.03 0.00 0.01 0.00 0.00 72.50 69.38 2gum s THR 572 CO -0.02 -0.07 0.25 0.00 -0.69 0.00 0.00 174.62 174.09 2gum s VAL 574 N -1.83 5.38 0.61 0.00 1.01 -0.11 -4.88 120.40 120.59 2gum s VAL 574 Ca 0.33 0.19 -0.17 0.00 0.00 0.00 0.00 61.98 62.33 2gum s VAL 574 Cb -0.10 -3.49 -0.02 0.00 0.00 0.00 0.00 36.38 32.77 2gum s VAL 574 CO 0.27 0.39 1.16 -2.84 0.00 0.00 0.00 175.10 174.07 2gum s PRO 575 N 0.76 2.93 -0.05 2.72 0.02 -1.26 -1.53 135.00 138.59 2gum s PRO 575 Ca 0.08 1.64 -0.02 0.00 0.02 0.00 0.00 61.00 62.72 2gum s PRO 575 Cb -0.12 -1.95 0.04 0.00 0.02 0.00 0.00 34.50 32.49 2gum s PRO 575 CO 0.02 -1.19 0.09 0.08 -0.33 0.00 0.00 177.00 175.67 2gum s VAL 576 N -1.90 -0.09 0.35 3.83 1.01 0.91 -4.90 120.40 119.62 2gum s VAL 576 Ca 0.73 0.25 -0.28 0.00 0.00 0.00 0.00 61.98 62.68 2gum s VAL 576 Cb -0.26 -0.18 -0.12 0.00 0.00 0.00 0.00 36.38 35.83 2gum s VAL 576 CO 0.35 0.10 1.41 0.00 0.00 0.00 0.00 175.10 176.96 2gum n ALA 577 N 4.49 1.91 -0.14 5.51 0.00 -1.26 -2.30 120.51 128.72 2gum n ALA 577 Ca -0.21 0.35 0.05 0.00 0.00 0.00 0.00 53.44 53.63 2gum n ALA 577 Cb 0.51 -2.35 0.35 0.00 0.00 0.00 0.00 19.45 17.96 2gum n ALA 577 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gum h ALA 578 N 2.93 1.67 0.00 0.00 0.00 -1.96 -0.38 119.26 121.52 2gum h ALA 578 Ca -0.48 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2gum h ALA 578 Cb 1.26 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2gum h ALA 578 CO 0.65 0.25 0.00 0.38 0.00 0.00 0.00 179.25 180.53 2gum h ASP 579 N 0.75 0.00 -0.63 0.00 3.04 -1.98 -2.61 116.42 114.99 2gum h ASP 579 Ca 0.27 0.00 -0.21 0.00 -3.24 0.00 0.00 57.03 53.85 2gum h ASP 579 Cb 0.12 0.00 -0.12 0.00 -1.04 0.00 0.00 39.33 38.29 2gum h ASP 579 CO -0.08 0.00 0.27 0.59 -2.04 0.00 0.00 179.24 177.98 2gum n ASN 580 N -2.40 4.19 -3.86 4.15 3.02 -0.15 -4.85 115.26 115.35 2gum n ASN 580 Ca 0.02 -3.01 -0.23 0.00 -0.03 0.00 0.00 54.58 51.32 2gum n ASN 580 Cb 0.24 -0.71 -0.17 0.00 -0.61 0.00 0.00 39.78 38.53 2gum n ASN 580 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2gum s VAL 581 N -2.51 0.66 -0.06 2.41 1.01 -0.98 -1.95 120.40 118.96 2gum s VAL 581 Ca 0.44 -0.10 0.05 0.00 0.00 0.00 0.00 61.98 62.38 2gum s VAL 581 Cb 0.36 -0.72 -0.01 0.00 0.00 0.00 0.00 36.38 36.00 2gum s VAL 581 CO 0.11 0.29 -0.22 -0.63 0.00 0.00 0.00 175.10 174.65 2gum s ILE 582 N 1.53 2.35 -0.25 2.22 1.01 0.80 -4.98 121.20 123.88 2gum s ILE 582 Ca -0.01 -0.96 -0.10 0.00 0.00 0.00 0.00 60.65 59.58 2gum s ILE 582 Cb -0.13 -1.88 -0.05 0.00 0.01 0.00 0.00 42.46 40.41 2gum s ILE 582 CO -0.04 0.57 0.15 -0.69 0.00 0.00 0.00 174.94 174.93 2gum s VAL 583 N -0.24 5.12 0.27 2.92 1.01 -1.26 -0.65 120.40 127.56 2gum s VAL 583 Ca -0.01 0.10 -0.25 0.00 0.00 0.00 0.00 61.98 61.82 2gum s VAL 583 Cb -0.13 -3.40 -0.09 0.00 0.00 0.00 0.00 36.38 32.76 2gum s VAL 583 CO 0.03 0.32 0.88 -1.10 0.00 0.00 0.00 175.10 175.23 2gum s GLN 584 N 1.34 4.55 0.36 2.72 -0.21 -1.01 -5.00 119.66 122.41 2gum s GLN 584 Ca 0.07 1.23 0.10 0.00 0.02 0.00 0.00 55.36 56.78 2gum s GLN 584 Cb -0.15 -2.94 0.70 0.00 1.00 0.00 0.00 33.01 31.62 2gum s GLN 584 CO 0.06 0.37 1.85 -0.91 -2.12 0.00 0.00 175.29 174.54 2gum h ASN 585 N 3.50 0.17 -3.09 5.90 2.35 -1.96 -3.42 115.58 119.03 2gum h ASN 585 Ca -0.47 -0.05 -0.66 0.00 -0.55 0.00 0.00 56.30 54.58 2gum h ASN 585 Cb 1.19 -0.05 -0.13 0.00 0.05 0.00 0.00 38.32 39.39 2gum h ASN 585 CO 0.66 0.44 -0.56 -0.55 -1.65 0.00 0.00 177.43 175.76 2gum s SER 586 N -6.90 5.73 0.00 5.81 0.15 -1.26 0.26 113.70 117.49 2gum s SER 586 Ca -0.05 0.23 0.16 0.00 0.70 0.00 0.00 55.95 57.00 2gum s SER 586 Cb 0.15 -1.81 0.02 0.00 -1.71 0.00 0.00 66.02 62.66 2gum s SER 586 CO 0.74 0.33 0.87 0.23 1.20 0.00 0.00 173.24 176.61 2gum n MET 587 N 2.49 1.63 -2.65 5.44 2.81 -0.35 -4.66 117.12 121.83 2gum n MET 587 Ca -0.18 -0.92 -0.33 0.00 -1.81 0.00 0.00 57.70 54.45 2gum n MET 587 Cb 0.54 -1.27 -0.05 0.00 -0.71 0.00 0.00 33.22 31.73 2gum n MET 587 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 2gum s ARG 588 N -1.76 4.02 -0.41 0.03 0.52 -1.26 0.49 118.95 120.59 2gum s ARG 588 Ca 0.14 1.18 -0.16 0.00 -0.52 0.00 0.00 55.73 56.37 2gum s ARG 588 Cb 0.13 -2.14 0.02 0.00 0.52 0.00 0.00 34.95 33.47 2gum s ARG 588 CO 0.36 -0.22 0.34 0.42 0.02 0.00 0.00 175.30 176.22 2gum s ILE 589 N -2.19 5.21 -0.59 1.52 1.01 -0.91 -4.83 121.20 120.43 2gum s ILE 589 Ca 0.63 -0.52 0.16 0.00 0.00 0.00 0.00 60.65 60.92 2gum s ILE 589 Cb -0.12 -3.95 0.16 0.00 0.01 0.00 0.00 42.46 38.57 2gum s ILE 589 CO 0.18 -0.32 1.50 -0.24 0.00 0.00 0.00 174.94 176.06 2gum n SER 590 N 5.30 0.37 -0.21 3.58 2.88 -1.26 -2.76 113.62 121.52 2gum n SER 590 Ca -0.10 0.63 0.03 0.00 -1.33 0.00 0.00 58.87 58.11 2gum n SER 590 Cb 0.47 -0.70 0.01 0.00 -0.75 0.00 0.00 64.21 63.25 2gum n SER 590 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2gum n SER 591 N -1.96 1.22 -3.58 -3.46 3.41 -1.26 -4.91 113.62 103.08 2gum n SER 591 Ca 0.01 -1.11 -0.29 0.00 -0.26 0.00 0.00 58.87 57.22 2gum n SER 591 Cb 0.10 0.29 -0.15 0.00 -0.26 0.00 0.00 64.21 64.19 2gum n SER 591 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2gum s ARG 592 N -0.90 0.28 0.20 4.33 0.52 -1.11 -5.13 118.95 117.15 2gum s ARG 592 Ca 0.07 -0.59 -0.33 0.00 -0.52 0.00 0.00 55.73 54.36 2gum s ARG 592 Cb 0.06 -1.38 -0.14 0.00 0.52 0.00 0.00 34.95 34.01 2gum s ARG 592 CO 0.14 -0.98 1.51 -2.30 0.02 0.00 0.00 175.30 173.69 2gum n PRO 593 N 5.18 2.14 -0.36 3.54 -0.02 -1.26 -2.13 135.00 142.08 2gum n PRO 593 Ca -0.05 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 2gum n PRO 593 Cb 0.43 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 2gum n PRO 593 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2gum n GLY 594 N 2.85 2.13 3.61 -1.23 0.00 -1.26 -5.01 105.19 106.27 2gum n GLY 594 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 2gum n GLY 594 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gum s ALA 595 N -3.31 3.34 0.18 4.61 0.00 -0.91 -0.68 121.76 125.00 2gum s ALA 595 Ca 0.00 -0.76 0.05 0.00 0.00 0.00 0.00 51.96 51.25 2gum s ALA 595 Cb 0.00 -1.86 -0.05 0.00 0.00 0.00 0.00 23.12 21.21 2gum s ALA 595 CO 0.00 0.19 -0.08 0.00 0.00 0.00 0.00 175.76 175.87 2gum s TYR 597 N -3.31 3.76 0.08 0.00 1.51 0.18 -0.32 117.35 119.24 2gum s TYR 597 Ca 0.21 1.44 0.15 0.00 -1.01 0.00 0.00 57.07 57.85 2gum s TYR 597 Cb 0.03 -2.76 0.32 0.00 -0.11 0.00 0.00 41.96 39.44 2gum s TYR 597 CO 0.04 0.34 1.56 0.66 -1.11 0.00 0.00 175.55 177.04 2gum h SER 598 N 5.41 0.00 -4.29 2.29 4.64 -1.04 -3.45 113.55 117.11 2gum h SER 598 Ca -0.45 0.00 -0.44 0.00 -0.47 0.00 0.00 61.79 60.43 2gum h SER 598 Cb 1.20 0.00 -0.26 0.00 -0.31 0.00 0.00 62.40 63.04 2gum h SER 598 CO 0.70 0.54 -0.79 -0.13 -0.87 0.00 0.00 176.83 176.27 2gum s ARG 599 N -3.28 0.95 0.29 4.77 0.52 -1.26 -5.07 118.95 115.87 2gum s ARG 599 Ca 0.01 -0.69 -0.27 0.00 -0.52 0.00 0.00 55.73 54.27 2gum s ARG 599 Cb 0.10 -0.94 -0.15 0.00 0.52 0.00 0.00 34.95 34.48 2gum s ARG 599 CO 0.73 0.24 0.78 -2.30 0.02 0.00 0.00 175.30 174.77 2gum n PRO 600 N 2.10 0.80 -3.05 3.54 -0.02 -1.26 -4.68 135.00 132.42 2gum n PRO 600 Ca -0.17 0.28 -0.31 0.00 -2.02 0.00 0.00 63.50 61.29 2gum n PRO 600 Cb 0.55 -1.53 -0.04 0.00 -0.02 0.00 0.00 33.50 32.46 2gum n PRO 600 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2gum s LEU 601 N 1.45 3.95 0.03 2.45 1.43 -1.26 0.21 118.68 126.94 2gum s LEU 601 Ca 0.61 1.06 -0.00 0.00 -1.03 0.00 0.00 54.13 54.77 2gum s LEU 601 Cb -0.75 -3.91 -0.03 0.00 0.03 0.00 0.00 46.19 41.54 2gum s LEU 601 CO 0.58 -0.29 -0.03 0.68 0.23 0.00 0.00 176.35 177.52 2gum s VAL 602 N -2.19 0.15 -0.13 -1.59 -7.23 0.91 -2.41 120.40 107.93 2gum s VAL 602 Ca 0.50 -1.20 0.00 0.00 -1.81 0.00 0.00 61.98 59.47 2gum s VAL 602 Cb -0.10 -0.67 0.02 0.00 0.56 0.00 0.00 36.38 36.19 2gum s VAL 602 CO 0.27 -0.66 -0.12 -0.44 -0.31 0.00 0.00 175.10 173.85 2gum s SER 603 N -1.93 2.42 0.31 4.85 0.01 0.17 -0.39 113.70 119.16 2gum s SER 603 Ca -0.09 -0.40 0.04 0.00 1.31 0.00 0.00 55.95 56.82 2gum s SER 603 Cb -0.04 -1.02 -0.03 0.00 0.21 0.00 0.00 66.02 65.14 2gum s SER 603 CO -0.04 -0.07 0.30 0.72 0.41 0.00 0.00 173.24 174.56 2gum s PHE 604 N 1.49 1.53 -0.10 2.43 -0.12 0.73 -0.14 117.98 123.80 2gum s PHE 604 Ca 0.03 -1.54 -0.05 0.00 -0.05 0.00 0.00 56.93 55.32 2gum s PHE 604 Cb -0.13 -0.56 0.05 0.00 -0.63 0.00 0.00 43.02 41.74 2gum s PHE 604 CO -0.08 -0.89 0.23 -0.98 -0.05 0.00 0.00 175.22 173.44 2gum s ARG 605 N -3.48 0.17 0.27 1.99 1.70 -0.82 0.22 118.95 119.00 2gum s ARG 605 Ca 0.38 0.53 -0.01 0.00 -0.47 0.00 0.00 55.73 56.16 2gum s ARG 605 Cb 0.02 -0.13 0.45 0.00 -0.57 0.00 0.00 34.95 34.72 2gum s ARG 605 CO 0.24 -0.18 1.87 1.88 -1.08 0.00 0.00 175.30 178.03 2gum h TYR 606 N 7.37 1.19 -3.83 5.89 -1.99 -1.89 -3.42 116.97 120.28 2gum h TYR 606 Ca -0.37 0.03 -0.68 0.00 2.00 0.00 0.00 58.73 59.71 2gum h TYR 606 Cb 1.15 -0.39 -0.20 0.00 2.00 0.00 0.00 36.73 39.29 2gum h TYR 606 CO 0.38 0.58 -0.80 -1.21 -0.00 0.00 0.00 178.16 177.11 2gum s GLU 607 N -6.01 1.94 0.17 4.88 0.41 -1.26 -4.73 118.70 114.09 2gum s GLU 607 Ca -0.12 -1.07 0.09 0.00 -0.41 0.00 0.00 54.97 53.45 2gum s GLU 607 Cb 0.21 -2.16 0.50 0.00 -1.78 0.00 0.00 34.13 30.89 2gum s GLU 607 CO 0.81 0.51 1.21 -0.25 -0.49 0.00 0.00 175.26 177.05 2gum n ASP 608 N 1.16 0.24 -0.00 -0.19 9.92 -1.26 -0.71 116.55 125.70 2gum n ASP 608 Ca -0.16 0.54 0.00 0.00 -0.53 0.00 0.00 54.79 54.64 2gum n ASP 608 Cb 0.52 -0.55 -0.00 0.00 -0.64 0.00 0.00 41.12 40.45 2gum n ASP 608 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2gum n GLN 609 N -1.80 5.10 -0.68 -1.24 6.02 -1.26 -5.07 117.38 118.45 2gum n GLN 609 Ca -0.01 -0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.70 2gum n GLN 609 Cb 0.13 -0.65 0.23 0.00 1.02 0.00 0.00 30.24 30.98 2gum n GLN 609 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 2gum s GLY 610 N -1.30 1.56 0.90 1.08 0.00 0.11 -5.00 107.32 104.66 2gum s GLY 610 Ca 0.00 -0.11 -0.10 0.00 0.00 0.00 0.00 44.72 44.51 2gum s GLY 610 CO 0.02 0.57 1.15 -4.14 0.00 0.00 0.00 173.10 170.69 2gum s PRO 611 N -4.57 1.15 -0.19 2.90 0.02 -1.26 -4.89 135.00 128.16 2gum s PRO 611 Ca 0.68 1.54 -0.18 0.00 0.02 0.00 0.00 61.00 63.06 2gum s PRO 611 Cb -0.24 -1.74 -0.04 0.00 0.02 0.00 0.00 34.50 32.51 2gum s PRO 611 CO 0.63 -2.53 0.48 -1.17 -0.33 0.00 0.00 177.00 174.07 2gum s LEU 612 N -6.49 4.17 -0.05 -5.54 2.96 -1.26 -4.32 118.68 108.16 2gum s LEU 612 Ca 0.67 0.65 -0.01 0.00 -0.22 0.00 0.00 54.13 55.22 2gum s LEU 612 Cb -0.23 -2.65 -0.03 0.00 0.50 0.00 0.00 46.19 43.78 2gum s LEU 612 CO 0.57 -0.12 0.01 -0.69 -1.32 0.00 0.00 176.35 174.81 2gum s VAL 613 N 1.36 4.32 0.10 1.68 1.01 0.60 -4.87 120.40 124.60 2gum s VAL 613 Ca 0.23 -0.38 -0.08 0.00 0.00 0.00 0.00 61.98 61.75 2gum s VAL 613 Cb -0.15 -2.88 -0.06 0.00 0.00 0.00 0.00 36.38 33.30 2gum s VAL 613 CO 0.09 0.50 0.38 -1.61 0.00 0.00 0.00 175.10 174.46 2gum s GLU 614 N -1.22 3.69 0.00 2.72 2.02 -1.26 -0.19 118.70 124.46 2gum s GLU 614 Ca 0.17 0.05 0.00 0.00 0.02 0.00 0.00 54.97 55.21 2gum s GLU 614 Cb -0.11 -2.94 0.00 0.00 0.10 0.00 0.00 34.13 31.18 2gum s GLU 614 CO 0.06 0.53 0.00 0.41 0.02 0.00 0.00 175.26 176.28 2gum n GLY 615 N 0.60 -0.73 3.37 -1.39 0.00 0.48 -4.78 105.19 102.74 2gum n GLY 615 Ca -0.06 -1.03 -0.26 0.00 0.00 0.00 0.00 46.02 44.67 2gum n GLY 615 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2gum s GLN 616 N -2.00 1.36 0.07 1.61 -2.07 -0.45 0.31 119.66 118.49 2gum s GLN 616 Ca 0.00 -1.40 -0.31 0.00 -1.82 0.00 0.00 55.36 51.84 2gum s GLN 616 Cb 0.00 -1.65 -0.08 0.00 -1.09 0.00 0.00 33.01 30.19 2gum s GLN 616 CO 0.00 0.36 1.66 -1.17 -1.32 0.00 0.00 175.29 174.83 2gum s LEU 617 N -2.41 4.37 0.00 2.60 2.96 0.13 -1.21 118.68 125.12 2gum s LEU 617 Ca 0.16 2.51 0.00 0.00 -0.22 0.00 0.00 54.13 56.57 2gum s LEU 617 Cb -0.08 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.04 2gum s LEU 617 CO 0.07 -0.89 0.00 0.61 -1.32 0.00 0.00 176.35 174.82 2gum n GLY 618 N 4.01 1.85 3.84 7.98 0.00 0.12 -4.60 105.19 118.38 2gum n GLY 618 Ca 0.16 -2.10 -0.32 0.00 0.00 0.00 0.00 46.02 43.75 2gum n GLY 618 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2gum s GLU 619 N -1.19 4.05 -1.31 1.61 2.02 -1.26 -4.08 118.70 118.54 2gum s GLU 619 Ca 0.00 0.91 -0.04 0.00 0.02 0.00 0.00 54.97 55.85 2gum s GLU 619 Cb 0.00 -2.24 -0.00 0.00 0.10 0.00 0.00 34.13 31.99 2gum s GLU 619 CO 0.00 -0.07 0.61 -1.71 0.02 0.00 0.00 175.26 174.11 2gum n ASN 620 N -0.94 -1.78 -2.81 -0.19 4.05 -1.26 -2.34 115.26 109.99 2gum n ASN 620 Ca 0.06 -0.93 -0.19 0.00 0.45 0.00 0.00 54.58 53.96 2gum n ASN 620 Cb 0.54 -3.54 0.01 0.00 1.23 0.00 0.00 39.78 38.01 2gum n ASN 620 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 2gum n ASN 621 N -2.96 -4.86 -4.83 1.20 3.02 -1.26 -4.89 115.26 100.69 2gum n ASN 621 Ca -0.26 -0.12 -0.37 0.00 -0.03 0.00 0.00 54.58 53.81 2gum n ASN 621 Cb 0.66 -4.02 -0.06 0.00 -0.61 0.00 0.00 39.78 35.75 2gum n ASN 621 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2gum s GLU 622 N -5.45 4.09 -0.33 3.52 2.12 -0.99 -1.96 118.70 119.71 2gum s GLU 622 Ca 0.18 0.63 -0.09 0.00 0.36 0.00 0.00 54.97 56.05 2gum s GLU 622 Cb -0.09 -3.06 0.01 0.00 0.26 0.00 0.00 34.13 31.25 2gum s GLU 622 CO 0.22 0.55 0.14 -0.51 -0.54 0.00 0.00 175.26 175.11 2gum s LEU 623 N -1.58 4.21 -0.04 2.70 1.43 0.37 0.12 118.68 125.89 2gum s LEU 623 Ca 0.34 -0.79 -0.20 0.00 -1.03 0.00 0.00 54.13 52.46 2gum s LEU 623 Cb -0.17 -1.95 -0.05 0.00 0.03 0.00 0.00 46.19 44.05 2gum s LEU 623 CO 0.19 -0.26 0.56 -0.13 0.23 0.00 0.00 176.35 176.94 2gum s ARG 624 N 1.53 4.30 0.31 1.70 0.52 -0.35 -4.29 118.95 122.69 2gum s ARG 624 Ca 0.02 0.64 0.17 0.00 -0.52 0.00 0.00 55.73 56.05 2gum s ARG 624 Cb -0.18 -3.37 0.20 0.00 0.52 0.00 0.00 34.95 32.12 2gum s ARG 624 CO 0.05 0.31 1.51 -0.07 0.02 0.00 0.00 175.30 177.11 2gum h LEU 625 N 5.97 0.00 -8.59 2.53 3.38 -1.86 -1.20 115.31 115.53 2gum h LEU 625 Ca -0.44 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 56.85 2gum h LEU 625 Cb 1.20 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.73 2gum h LEU 625 CO 0.71 0.43 -0.54 -0.89 0.09 0.00 0.00 178.44 178.24 2gum s THR 626 N -3.08 4.76 -1.45 0.22 2.01 -1.26 -4.61 115.64 112.23 2gum s THR 626 Ca 0.04 -0.38 -0.09 0.00 0.31 0.00 0.00 61.69 61.56 2gum s THR 626 Cb 0.08 -3.44 0.04 0.00 0.01 0.00 0.00 72.50 69.19 2gum s THR 626 CO 0.73 0.04 2.47 0.54 -0.69 0.00 0.00 174.62 177.71 2gum n ARG 627 N 5.01 3.80 -0.13 4.92 1.74 -1.26 -4.51 116.66 126.23 2gum n ARG 627 Ca -0.13 -2.88 0.07 0.00 -0.77 0.00 0.00 57.85 54.13 2gum n ARG 627 Cb 0.49 -2.86 0.14 0.00 -1.02 0.00 0.00 32.46 29.21 2gum n ARG 627 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2gum n ASP 628 N 3.54 2.76 -4.56 0.55 3.85 -1.26 -4.87 116.55 116.56 2gum n ASP 628 Ca 0.62 -1.83 -0.41 0.00 -0.71 0.00 0.00 54.79 52.46 2gum n ASP 628 Cb 0.29 -0.17 -0.03 0.00 -1.35 0.00 0.00 41.12 39.85 2gum n ASP 628 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2gum s ALA 629 N -1.07 2.69 0.23 2.12 0.00 -1.26 -4.96 121.76 119.51 2gum s ALA 629 Ca 0.24 -1.96 0.09 0.00 0.00 0.00 0.00 51.96 50.34 2gum s ALA 629 Cb 0.14 -4.45 -0.05 0.00 0.00 0.00 0.00 23.12 18.76 2gum s ALA 629 CO 0.19 -3.55 -0.17 0.42 0.00 0.00 0.00 175.76 172.65 2gum s ILE 630 N 5.37 2.04 0.19 0.00 1.01 -1.26 -0.45 121.20 128.10 2gum s ILE 630 Ca 0.43 -2.25 -0.21 0.00 0.00 0.00 0.00 60.65 58.62 2gum s ILE 630 Cb -0.03 -2.12 0.05 0.00 0.01 0.00 0.00 42.46 40.37 2gum s ILE 630 CO -0.02 -0.48 0.60 -1.83 0.00 0.00 0.00 174.94 173.20 2gum s GLU 631 N -3.48 1.40 0.17 2.79 -1.05 0.57 -4.70 118.70 114.39 2gum s GLU 631 Ca 0.25 -0.69 -0.30 0.00 -0.15 0.00 0.00 54.97 54.07 2gum s GLU 631 Cb -0.03 0.57 -0.08 0.00 -0.44 0.00 0.00 34.13 34.15 2gum s GLU 631 CO 0.10 -0.61 1.29 -2.14 0.95 0.00 0.00 175.26 174.84 2gum s PRO 632 N -3.82 4.40 0.27 -4.83 0.02 -1.26 -0.70 135.00 129.09 2gum s PRO 632 Ca 0.05 1.99 -0.30 0.00 0.02 0.00 0.00 61.00 62.76 2gum s PRO 632 Cb -0.02 -3.23 -0.10 0.00 0.02 0.00 0.00 34.50 31.17 2gum s PRO 632 CO -0.06 -0.25 1.46 0.00 -0.33 0.00 0.00 177.00 177.82 2gum s THR 634 N -0.19 1.58 0.55 0.00 2.01 -1.26 -4.97 115.64 113.35 2gum s THR 634 Ca 0.59 -2.10 -0.12 0.00 0.31 0.00 0.00 61.69 60.36 2gum s THR 634 Cb -0.43 -2.50 -0.05 0.00 0.01 0.00 0.00 72.50 69.53 2gum s THR 634 CO 0.46 -0.26 0.96 -0.69 -0.69 0.00 0.00 174.62 174.41 2gum s VAL 635 N -3.05 4.68 -1.34 3.82 1.01 -1.26 -4.17 120.40 120.09 2gum s VAL 635 Ca 0.30 0.90 -0.05 0.00 0.00 0.00 0.00 61.98 63.13 2gum s VAL 635 Cb 0.05 -3.81 0.02 0.00 0.00 0.00 0.00 36.38 32.64 2gum s VAL 635 CO 0.12 -0.91 0.93 0.61 0.00 0.00 0.00 175.10 175.86 2gum n GLY 636 N -2.17 -0.40 3.64 4.51 0.00 -1.26 -4.92 105.19 104.58 2gum n GLY 636 Ca 0.05 0.16 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 2gum n GLY 636 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2gum s HIS 637 N -3.44 2.90 -0.06 1.61 2.46 -1.26 -4.94 115.29 112.55 2gum s HIS 637 Ca 0.27 1.03 0.02 0.00 0.47 0.00 0.00 55.06 56.84 2gum s HIS 637 Cb -0.13 -3.74 0.02 0.00 -0.13 0.00 0.00 32.58 28.60 2gum s HIS 637 CO 0.78 -1.34 -0.09 1.03 -2.47 0.00 0.00 174.74 172.66 2gum s ARG 638 N 3.84 1.33 -0.11 2.88 0.52 -1.26 -0.40 118.95 125.75 2gum s ARG 638 Ca 0.52 -0.28 -0.16 0.00 -0.52 0.00 0.00 55.73 55.29 2gum s ARG 638 Cb -0.16 -1.19 0.04 0.00 0.52 0.00 0.00 34.95 34.16 2gum s ARG 638 CO 0.18 -0.04 0.40 1.03 0.02 0.00 0.00 175.30 176.90 2gum s ARG 639 N 0.84 0.58 -0.14 3.54 1.81 -0.96 -5.02 118.95 119.60 2gum s ARG 639 Ca -0.12 0.33 0.01 0.00 -1.72 0.00 0.00 55.73 54.24 2gum s ARG 639 Cb -0.15 0.27 0.02 0.00 -0.45 0.00 0.00 34.95 34.64 2gum s ARG 639 CO 0.01 -0.11 -0.15 0.71 -0.68 0.00 0.00 175.30 175.08 2gum s TYR 640 N -0.32 2.15 -0.06 -0.53 1.51 -1.26 -1.42 117.35 117.41 2gum s TYR 640 Ca -0.05 -1.14 0.04 0.00 -1.01 0.00 0.00 57.07 54.91 2gum s TYR 640 Cb -0.03 -1.56 -0.02 0.00 -0.11 0.00 0.00 41.96 40.23 2gum s TYR 640 CO 0.02 -0.61 -0.18 -0.06 -1.11 0.00 0.00 175.55 173.62 2gum s PHE 641 N 1.27 2.62 0.13 2.71 0.40 -0.69 -4.91 117.98 119.52 2gum s PHE 641 Ca 0.00 -0.41 -0.31 0.00 -0.60 0.00 0.00 56.93 55.61 2gum s PHE 641 Cb -0.14 -1.65 -0.11 0.00 0.51 0.00 0.00 43.02 41.64 2gum s PHE 641 CO -0.07 -0.00 1.84 2.41 0.70 0.00 0.00 175.22 180.10 2gum n THR 642 N 2.70 0.35 -3.45 0.64 -1.04 -1.26 -0.40 114.28 111.82 2gum n THR 642 Ca -0.17 -0.06 -0.19 0.00 -2.04 0.00 0.00 64.05 61.58 2gum n THR 642 Cb 0.52 -2.15 -0.11 0.00 -1.82 0.00 0.00 70.33 66.77 2gum n THR 642 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 2gum s PHE 643 N 2.67 -0.29 0.00 -1.42 5.36 0.21 -4.49 117.98 120.02 2gum s PHE 643 Ca 0.81 -0.14 0.00 0.00 -0.96 0.00 0.00 56.93 56.65 2gum s PHE 643 Cb -0.47 -0.49 0.00 0.00 -0.34 0.00 0.00 43.02 41.72 2gum s PHE 643 CO 0.37 -0.80 0.00 0.41 -1.46 0.00 0.00 175.22 173.73 2gum n GLY 644 N 5.31 2.23 1.19 13.12 0.00 -1.26 -2.54 105.19 123.24 2gum n GLY 644 Ca -0.04 -0.41 0.09 0.00 0.00 0.00 0.00 46.02 45.67 2gum n GLY 644 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gum n GLY 645 N 0.00 2.70 0.00 -0.02 0.00 -1.26 -4.53 105.19 102.08 2gum n GLY 645 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.31 2gum n GLY 645 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gum n GLY 646 N 1.14 4.33 3.37 -0.02 0.00 -1.05 -4.25 105.19 108.70 2gum n GLY 646 Ca 0.21 -0.94 -0.25 0.00 0.00 0.00 0.00 46.02 45.05 2gum n GLY 646 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2gum s TYR 647 N -0.78 2.06 -0.23 1.61 1.51 -0.64 0.66 117.35 121.54 2gum s TYR 647 Ca 0.00 -0.41 -0.05 0.00 -1.01 0.00 0.00 57.07 55.60 2gum s TYR 647 Cb 0.00 -1.04 -0.02 0.00 -0.11 0.00 0.00 41.96 40.80 2gum s TYR 647 CO 0.00 0.40 0.00 0.54 -1.11 0.00 0.00 175.55 175.38 2gum s VAL 648 N -1.75 3.73 -0.02 0.71 0.11 0.46 0.43 120.40 124.07 2gum s VAL 648 Ca 0.17 -0.37 -0.15 0.00 -2.93 0.00 0.00 61.98 58.70 2gum s VAL 648 Cb -0.07 -2.72 -0.05 0.00 -1.53 0.00 0.00 36.38 32.00 2gum s VAL 648 CO 0.08 0.39 0.41 -0.47 -3.33 0.00 0.00 175.10 172.18 2gum s TYR 649 N 1.52 3.69 0.03 1.54 5.04 0.23 -1.70 117.35 127.70 2gum s TYR 649 Ca 0.06 0.96 0.05 0.00 -2.44 0.00 0.00 57.07 55.70 2gum s TYR 649 Cb -0.15 -2.33 -0.02 0.00 0.35 0.00 0.00 41.96 39.81 2gum s TYR 649 CO -0.01 0.56 -0.14 -0.06 -1.34 0.00 0.00 175.55 174.56 2gum s PHE 650 N -0.76 1.24 -0.04 4.97 0.40 -0.51 -0.53 117.98 122.74 2gum s PHE 650 Ca 0.24 -0.33 0.02 0.00 -0.60 0.00 0.00 56.93 56.25 2gum s PHE 650 Cb -0.16 -0.75 0.02 0.00 0.51 0.00 0.00 43.02 42.64 2gum s PHE 650 CO 0.13 0.03 -0.07 -1.21 0.70 0.00 0.00 175.22 174.79 2gum s GLU 651 N -1.00 1.06 -1.55 0.44 2.02 -0.31 -2.27 118.70 117.09 2gum s GLU 651 Ca 0.02 -0.22 -0.10 0.00 0.02 0.00 0.00 54.97 54.69 2gum s GLU 651 Cb -0.07 -0.98 0.08 0.00 0.10 0.00 0.00 34.13 33.26 2gum s GLU 651 CO 0.01 -0.01 0.67 0.39 0.02 0.00 0.00 175.26 176.34 2gum n GLU 652 N 3.80 -3.61 -1.97 1.61 -0.58 0.46 -0.50 120.64 119.84 2gum n GLU 652 Ca -0.23 0.42 -0.17 0.00 -0.42 0.00 0.00 57.16 56.76 2gum n GLU 652 Cb 0.52 -4.93 -0.04 0.00 -0.57 0.00 0.00 31.44 26.42 2gum n GLU 652 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 2gum n TYR 653 N -4.44 -0.47 -4.62 -0.32 4.02 -1.26 -4.97 117.16 105.10 2gum n TYR 653 Ca -0.09 0.00 -0.25 0.00 -0.01 0.00 0.00 57.90 57.55 2gum n TYR 653 Cb 0.58 -3.27 -0.16 0.00 -0.02 0.00 0.00 39.34 36.46 2gum n TYR 653 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2gum s ALA 654 N -2.77 1.30 0.41 -0.72 0.00 0.34 -1.21 121.76 119.11 2gum s ALA 654 Ca 0.00 -0.45 -0.25 0.00 0.00 0.00 0.00 51.96 51.26 2gum s ALA 654 Cb 0.00 -0.56 -0.11 0.00 0.00 0.00 0.00 23.12 22.45 2gum s ALA 654 CO 0.00 0.14 1.00 0.98 0.00 0.00 0.00 175.76 177.87 2gum n TYR 655 N 3.73 1.14 0.05 0.00 9.36 0.14 -1.16 117.16 130.42 2gum n TYR 655 Ca -0.22 0.57 0.00 0.00 3.32 0.00 0.00 57.90 61.57 2gum n TYR 655 Cb 0.52 -2.22 0.00 0.00 -0.63 0.00 0.00 39.34 37.01 2gum n TYR 655 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 2gum n SER 656 N 0.59 0.70 0.00 2.98 2.88 0.31 -4.78 113.62 116.30 2gum n SER 656 Ca 0.09 0.15 0.00 0.00 -1.33 0.00 0.00 58.87 57.79 2gum n SER 656 Cb 0.39 -0.17 0.00 0.00 -0.75 0.00 0.00 64.21 63.68 2gum n SER 656 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2gum n HIS 657 N -3.37 0.00 -3.64 0.66 1.44 -1.11 -5.00 115.22 104.20 2gum n HIS 657 Ca 0.00 0.00 -0.31 0.00 -2.01 0.00 0.00 57.72 55.40 2gum n HIS 657 Cb 0.10 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.16 2gum n HIS 657 CO 0.00 0.00 0.00 -0.65 -2.81 0.00 0.00 176.34 172.88 2gum s GLN 658 N -2.00 3.61 0.18 -1.40 -0.21 -1.26 0.75 119.66 119.33 2gum s GLN 658 Ca 0.00 -0.11 0.02 0.00 0.02 0.00 0.00 55.36 55.29 2gum s GLN 658 Cb 0.00 -2.82 -0.05 0.00 1.00 0.00 0.00 33.01 31.14 2gum s GLN 658 CO 0.00 0.43 -0.01 -0.51 -2.12 0.00 0.00 175.29 173.08 2gum s LEU 659 N -2.84 2.18 0.03 2.90 1.02 0.17 -4.92 118.68 117.22 2gum s LEU 659 Ca 0.41 -1.16 -0.08 0.00 0.02 0.00 0.00 54.13 53.32 2gum s LEU 659 Cb -0.12 -0.13 -0.05 0.00 0.02 0.00 0.00 46.19 45.91 2gum s LEU 659 CO 0.26 -0.53 0.31 -0.55 0.02 0.00 0.00 176.35 175.86 2gum s SER 660 N -3.20 6.55 0.42 2.29 0.15 -1.26 -1.62 113.70 117.03 2gum s SER 660 Ca 0.24 0.64 0.16 0.00 0.70 0.00 0.00 55.95 57.69 2gum s SER 660 Cb 0.06 -2.12 1.05 0.00 -1.71 0.00 0.00 66.02 63.29 2gum s SER 660 CO 0.04 0.23 1.91 0.03 1.20 0.00 0.00 173.24 176.65 2gum h ARG 661 N 3.94 0.41 0.00 5.44 3.08 -1.93 0.44 114.38 125.76 2gum h ARG 661 Ca -0.50 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.53 2gum h ARG 661 Cb 1.20 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.15 2gum h ARG 661 CO 0.66 0.27 0.00 0.00 -1.07 0.00 0.00 179.97 179.83 2gum h ALA 662 N 1.64 1.00 0.00 0.04 0.00 -1.93 0.42 119.26 120.43 2gum h ALA 662 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.30 2gum h ALA 662 Cb 0.89 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2gum h ALA 662 CO -0.13 0.00 -0.23 -0.25 0.00 0.00 0.00 179.25 178.64 2gum n ASP 663 N -2.30 0.69 -4.52 0.00 10.43 0.15 -4.81 116.55 116.20 2gum n ASP 663 Ca -0.01 0.38 -0.33 0.00 2.57 0.00 0.00 54.79 57.39 2gum n ASP 663 Cb 0.04 -0.41 -0.12 0.00 1.84 0.00 0.00 41.12 42.47 2gum n ASP 663 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 2gum s ILE 664 N -3.11 3.45 0.39 0.53 1.01 0.14 -5.05 121.20 118.56 2gum s ILE 664 Ca 0.10 -0.56 -0.27 0.00 0.00 0.00 0.00 60.65 59.91 2gum s ILE 664 Cb 0.13 -2.41 -0.09 0.00 0.01 0.00 0.00 42.46 40.10 2gum s ILE 664 CO 0.64 0.58 1.36 0.42 0.00 0.00 0.00 174.94 177.94 2gum s THR 665 N -0.56 2.43 -0.08 2.92 -4.23 -1.26 -4.98 115.64 109.87 2gum s THR 665 Ca 0.08 0.40 0.01 0.00 -1.18 0.00 0.00 61.69 61.00 2gum s THR 665 Cb -0.12 -3.25 -0.03 0.00 1.34 0.00 0.00 72.50 70.45 2gum s THR 665 CO 0.02 0.08 -0.08 -0.89 -0.54 0.00 0.00 174.62 173.20 2gum s THR 666 N -1.19 3.57 -0.01 3.99 2.01 -1.26 -5.11 115.64 117.64 2gum s THR 666 Ca 0.55 -0.52 0.05 0.00 0.31 0.00 0.00 61.69 62.08 2gum s THR 666 Cb -0.41 -2.47 -0.01 0.00 0.01 0.00 0.00 72.50 69.62 2gum s THR 666 CO 0.54 0.58 -0.17 0.68 -0.69 0.00 0.00 174.62 175.56 2gum s VAL 667 N -0.55 1.36 -0.03 3.82 -7.23 -1.26 -5.15 120.40 111.36 2gum s VAL 667 Ca 0.08 -0.76 -0.03 0.00 -1.81 0.00 0.00 61.98 59.46 2gum s VAL 667 Cb -0.12 -1.14 -0.04 0.00 0.56 0.00 0.00 36.38 35.65 2gum s VAL 667 CO 0.02 0.36 0.14 -0.55 -0.31 0.00 0.00 175.10 174.77 2gum s SER 668 N -0.46 6.17 0.00 4.85 0.15 -1.26 -4.97 113.70 118.18 2gum s SER 668 Ca 0.06 0.31 0.23 0.00 0.70 0.00 0.00 55.95 57.26 2gum s SER 668 Cb -0.07 -1.91 0.25 0.00 -1.71 0.00 0.00 66.02 62.59 2gum s SER 668 CO -0.01 0.29 1.27 0.35 1.20 0.00 0.00 173.24 176.35 2gum n THR 669 N 1.22 0.16 -3.26 6.45 -2.24 -1.26 -4.97 114.28 110.38 2gum n THR 669 Ca -0.13 -0.58 -0.39 0.00 -2.27 0.00 0.00 64.05 60.68 2gum n THR 669 Cb 0.53 1.32 -0.06 0.00 -2.10 0.00 0.00 70.33 70.03 2gum n THR 669 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 2gum s PHE 670 N -1.77 3.70 -0.11 4.78 0.08 -1.26 -5.06 117.98 118.34 2gum s PHE 670 Ca 0.30 1.17 -0.21 0.00 0.12 0.00 0.00 56.93 58.31 2gum s PHE 670 Cb 0.20 -2.54 -0.04 0.00 -0.57 0.00 0.00 43.02 40.07 2gum s PHE 670 CO 0.29 0.42 0.59 0.42 -0.10 0.00 0.00 175.22 176.85 2gum s ILE 671 N -0.42 5.10 0.51 0.64 1.09 -1.26 -5.05 121.20 121.82 2gum s ILE 671 Ca 0.29 1.19 -0.17 0.00 -1.10 0.00 0.00 60.65 60.86 2gum s ILE 671 Cb -0.18 -3.93 -0.08 0.00 -1.06 0.00 0.00 42.46 37.21 2gum s ILE 671 CO 0.17 0.25 0.99 -1.81 -0.10 0.00 0.00 174.94 174.44 2gum s ASP 672 N 0.81 6.58 -0.19 3.58 1.01 -1.26 -5.06 116.67 122.14 2gum s ASP 672 Ca 0.31 1.61 -0.08 0.00 0.71 0.00 0.00 52.55 55.10 2gum s ASP 672 Cb -0.16 -2.52 0.08 0.00 1.01 0.00 0.00 42.92 41.33 2gum s ASP 672 CO 0.13 -0.61 0.42 -0.22 0.21 0.00 0.00 175.17 175.10 2gum s LEU 673 N -3.99 -0.49 -0.59 1.23 2.96 -1.26 -5.11 118.68 111.43 2gum s LEU 673 Ca 0.60 0.96 0.04 0.00 -0.22 0.00 0.00 54.13 55.51 2gum s LEU 673 Cb -0.10 1.35 0.14 0.00 0.50 0.00 0.00 46.19 48.08 2gum s LEU 673 CO 0.29 -0.22 0.35 0.21 -1.32 0.00 0.00 176.35 175.66 2gum s ASN 674 N 2.25 4.54 -0.03 3.68 2.47 -1.26 -5.07 114.94 121.52 2gum s ASN 674 Ca -0.04 -3.28 -0.20 0.00 0.42 0.00 0.00 52.86 49.76 2gum s ASN 674 Cb -0.11 -1.65 -0.05 0.00 -1.45 0.00 0.00 41.25 37.99 2gum s ASN 674 CO -0.13 -0.19 0.59 -0.63 -3.72 0.00 0.00 177.10 173.02 2gum s ILE 675 N -0.66 4.97 0.16 -5.21 -1.09 -1.26 -5.08 121.20 113.04 2gum s ILE 675 Ca 0.20 1.23 0.09 0.00 -2.23 0.00 0.00 60.65 59.93 2gum s ILE 675 Cb -0.19 -3.93 -0.04 0.00 -1.58 0.00 0.00 42.46 36.72 2gum s ILE 675 CO -0.05 0.38 -0.19 0.42 -1.23 0.00 0.00 174.94 174.27 2gum s THR 676 N 0.06 1.86 0.40 2.92 -4.23 -1.26 -5.13 115.64 110.26 2gum s THR 676 Ca 0.31 -1.88 -0.21 0.00 -1.18 0.00 0.00 61.69 58.73 2gum s THR 676 Cb -0.18 -1.84 -0.11 0.00 1.34 0.00 0.00 72.50 71.72 2gum s THR 676 CO 0.16 -0.26 0.92 -0.04 -0.54 0.00 0.00 174.62 174.86 2gum s MET 677 N -2.67 4.28 -0.13 3.99 -1.94 -1.26 -5.01 119.30 116.56 2gum s MET 677 Ca 0.15 1.11 -0.29 0.00 -1.71 0.00 0.00 55.69 54.95 2gum s MET 677 Cb -0.06 -2.34 -0.03 0.00 2.01 0.00 0.00 34.83 34.41 2gum s MET 677 CO 0.07 0.06 1.40 -1.17 -0.01 0.00 0.00 175.02 175.36 2gum s LEU 678 N -2.92 4.23 0.65 -0.03 2.96 -1.26 -5.00 118.68 117.31 2gum s LEU 678 Ca 0.59 1.88 -0.11 0.00 -0.22 0.00 0.00 54.13 56.27 2gum s LEU 678 Cb -0.11 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 43.03 2gum s LEU 678 CO 0.16 -0.82 1.04 -1.83 -1.32 0.00 0.00 176.35 173.58 2gum s GLU 679 N 3.66 3.27 0.54 1.98 1.03 -1.26 -5.01 118.70 122.91 2gum s GLU 679 Ca 0.61 0.58 -0.22 0.00 0.03 0.00 0.00 54.97 55.97 2gum s GLU 679 Cb -0.26 -2.08 -0.05 0.00 -0.80 0.00 0.00 34.13 30.95 2gum s GLU 679 CO 0.20 -0.75 1.35 -0.51 -1.33 0.00 0.00 175.26 174.22 2gum s ASP 680 N -4.26 5.30 -0.01 0.83 -0.00 -1.26 -5.03 116.67 112.24 2gum s ASP 680 Ca 0.56 2.75 0.00 0.00 -0.00 0.00 0.00 52.55 55.86 2gum s ASP 680 Cb -0.11 -2.63 0.01 0.00 -0.00 0.00 0.00 42.92 40.19 2gum s ASP 680 CO 0.52 -1.55 0.00 -2.28 -0.00 0.00 0.00 175.17 171.87 2gum s HIS 681 N -1.31 0.12 -0.15 4.23 2.46 -1.26 -5.14 115.29 114.24 2gum s HIS 681 Ca 0.71 0.03 -0.04 0.00 0.47 0.00 0.00 55.06 56.24 2gum s HIS 681 Cb -0.40 -0.19 -0.03 0.00 -0.13 0.00 0.00 32.58 31.83 2gum s HIS 681 CO 0.47 -0.06 -0.01 -2.00 -2.47 0.00 0.00 174.74 170.67 2gum s GLU 682 N 0.54 3.61 -0.29 2.88 2.12 -1.26 -5.09 118.70 121.21 2gum s GLU 682 Ca -0.05 -0.47 -0.11 0.00 0.36 0.00 0.00 54.97 54.70 2gum s GLU 682 Cb -0.07 -2.95 -0.04 0.00 0.26 0.00 0.00 34.13 31.33 2gum s GLU 682 CO -0.01 0.33 0.20 -0.06 -0.54 0.00 0.00 175.26 175.18 2gum s PHE 683 N 0.14 3.22 0.43 5.30 0.40 -1.26 -5.08 117.98 121.13 2gum s PHE 683 Ca 0.00 0.06 -0.04 0.00 -0.60 0.00 0.00 56.93 56.35 2gum s PHE 683 Cb -0.13 -2.40 -0.04 0.00 0.51 0.00 0.00 43.02 40.96 2gum s PHE 683 CO 0.02 -0.19 0.72 0.14 0.70 0.00 0.00 175.22 176.60 2gum s VAL 684 N 1.75 4.95 0.32 -0.44 -7.23 -1.26 -5.02 120.40 113.48 2gum s VAL 684 Ca 0.07 0.07 -0.29 0.00 -1.81 0.00 0.00 61.98 60.01 2gum s VAL 684 Cb -0.16 -3.85 -0.11 0.00 0.56 0.00 0.00 36.38 32.82 2gum s VAL 684 CO 0.11 -0.73 1.57 -2.84 -0.31 0.00 0.00 175.10 172.90 2gum s PRO 685 N -4.50 4.10 -0.18 4.82 0.02 -1.26 -5.01 135.00 132.99 2gum s PRO 685 Ca 0.46 2.60 -0.07 0.00 0.02 0.00 0.00 61.00 64.01 2gum s PRO 685 Cb -0.10 -3.00 0.08 0.00 0.02 0.00 0.00 34.50 31.50 2gum s PRO 685 CO 0.41 -0.62 0.39 -1.17 -0.33 0.00 0.00 177.00 175.67 2gum s LEU 686 N -1.04 -0.40 -0.01 -5.54 2.96 -1.26 -5.15 118.68 108.24 2gum s LEU 686 Ca 0.60 0.88 0.04 0.00 -0.22 0.00 0.00 54.13 55.44 2gum s LEU 686 Cb -0.48 1.22 -0.01 0.00 0.50 0.00 0.00 46.19 47.42 2gum s LEU 686 CO 0.53 -0.22 -0.13 -1.61 -1.32 0.00 0.00 176.35 173.60 2gum s GLU 687 N 2.20 1.09 -0.01 1.98 2.02 -1.26 -5.05 118.70 119.67 2gum s GLU 687 Ca -0.04 -0.47 -0.23 0.00 0.02 0.00 0.00 54.97 54.25 2gum s GLU 687 Cb -0.11 -1.05 -0.16 0.00 0.10 0.00 0.00 34.13 32.91 2gum s GLU 687 CO -0.12 0.28 1.10 0.28 0.02 0.00 0.00 175.26 176.82 2gum h VAL 688 N 4.85 0.68 -4.27 2.63 2.07 -2.07 -3.44 116.25 116.70 2gum h VAL 688 Ca -0.34 -0.74 -0.55 0.00 0.82 0.00 0.00 66.70 65.90 2gum h VAL 688 Cb 1.16 1.03 -0.28 0.00 -1.52 0.00 0.00 31.29 31.68 2gum h VAL 688 CO 0.49 0.13 -0.83 -0.31 0.02 0.00 0.00 177.57 177.07 2gum s TYR 689 N -4.25 1.63 0.47 1.57 1.51 -1.26 -5.14 117.35 111.88 2gum s TYR 689 Ca -0.13 -0.33 -0.02 0.00 -1.01 0.00 0.00 57.07 55.58 2gum s TYR 689 Cb 0.02 -1.02 -0.01 0.00 -0.11 0.00 0.00 41.96 40.84 2gum s TYR 689 CO 0.51 0.01 0.71 0.95 -1.11 0.00 0.00 175.55 176.62 2gum s THR 690 N -0.56 4.18 0.58 -0.71 -4.23 -1.26 -4.94 115.64 108.71 2gum s THR 690 Ca 0.07 -0.31 0.28 0.00 -1.18 0.00 0.00 61.69 60.55 2gum s THR 690 Cb -0.07 -3.57 0.35 0.00 1.34 0.00 0.00 72.50 70.54 2gum s THR 690 CO 0.00 -0.45 2.24 0.08 -0.54 0.00 0.00 174.62 175.95 2gum h ARG 691 N 0.31 0.00 -0.23 3.99 0.11 -2.00 -0.68 114.38 115.88 2gum h ARG 691 Ca -0.47 0.00 -0.19 0.00 0.10 0.00 0.00 59.98 59.43 2gum h ARG 691 Cb 1.24 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.32 2gum h ARG 691 CO 0.59 0.00 -0.61 0.45 0.10 0.00 0.00 179.97 180.51 2gum h HIS 692 N 0.00 0.98 -0.64 4.08 3.86 -1.99 -1.87 115.15 119.56 2gum h HIS 692 Ca -0.00 -0.37 -0.07 0.00 -1.16 0.00 0.00 60.37 58.77 2gum h HIS 692 Cb 0.01 -0.18 -0.03 0.00 1.06 0.00 0.00 27.41 28.28 2gum h HIS 692 CO 0.00 1.18 0.14 0.93 0.86 0.00 0.00 177.93 181.04 2gum h GLU 693 N 0.57 1.04 -0.67 2.45 5.08 -1.52 -1.73 114.58 119.80 2gum h GLU 693 Ca -0.00 -0.26 -0.05 0.00 -1.00 0.00 0.00 59.36 58.05 2gum h GLU 693 Cb 1.20 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.29 2gum h GLU 693 CO 0.13 0.94 0.21 0.82 -1.00 0.00 0.00 179.01 180.11 2gum h ILE 694 N 0.96 1.25 -0.49 3.13 2.04 -1.33 0.21 117.51 123.27 2gum h ILE 694 Ca 0.20 -0.86 -0.09 0.00 1.00 0.00 0.00 64.86 65.11 2gum h ILE 694 Cb 0.38 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 2gum h ILE 694 CO 0.01 0.33 -0.05 0.50 0.00 0.00 0.00 178.15 178.94 2gum h LYS 695 N 1.00 0.85 0.00 2.37 3.64 -1.06 -2.35 116.57 121.02 2gum h LYS 695 Ca 0.22 -0.26 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2gum h LYS 695 Cb 0.29 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 2gum h LYS 695 CO -0.01 0.88 0.00 0.22 -2.27 0.00 0.00 179.45 178.27 2gum h ASP 696 N 0.78 0.00 0.13 4.20 1.82 -0.68 -3.21 116.42 119.46 2gum h ASP 696 Ca 0.14 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.76 2gum h ASP 696 Cb 0.54 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.55 2gum h ASP 696 CO 0.03 0.00 -0.08 0.77 -1.61 0.00 0.00 179.24 178.35 2gum h SER 697 N 0.00 0.00 -3.39 2.28 4.64 -0.40 -3.42 113.55 113.26 2gum h SER 697 Ca 0.00 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.80 2gum h SER 697 Cb 0.65 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.77 2gum h SER 697 CO 0.00 0.08 0.65 -0.83 -0.87 0.00 0.00 176.83 175.85 2gum s GLY 698 N -4.14 2.47 0.09 -0.77 0.00 -1.22 -4.94 107.32 98.81 2gum s GLY 698 Ca -0.04 1.10 -0.28 0.00 0.00 0.00 0.00 44.72 45.50 2gum s GLY 698 CO 0.62 2.06 1.66 -2.00 0.00 0.00 0.00 173.10 175.45 2gum h LEU 699 N 5.35 -0.52 -8.80 0.66 5.85 -1.92 -3.42 115.31 112.51 2gum h LEU 699 Ca -0.45 0.04 -0.69 0.00 0.84 0.00 0.00 57.88 57.62 2gum h LEU 699 Cb 1.21 0.17 -0.26 0.00 0.37 0.00 0.00 40.66 42.16 2gum h LEU 699 CO 0.77 -0.31 -0.84 -0.76 -0.34 0.00 0.00 178.44 176.95 2gum s LEU 700 N -10.18 2.36 -0.28 2.25 1.43 -1.26 -5.10 118.68 107.89 2gum s LEU 700 Ca -0.16 -0.44 -0.05 0.00 -1.03 0.00 0.00 54.13 52.46 2gum s LEU 700 Cb 0.06 -1.41 0.02 0.00 0.03 0.00 0.00 46.19 44.88 2gum s LEU 700 CO 0.64 0.29 0.03 -0.62 0.23 0.00 0.00 176.35 176.92 2gum s ASP 701 N -1.04 4.85 0.20 2.29 -1.08 -1.26 -5.01 116.67 115.62 2gum s ASP 701 Ca 0.12 -0.83 -0.11 0.00 -0.52 0.00 0.00 52.55 51.21 2gum s ASP 701 Cb -0.10 -1.80 0.24 0.00 -1.46 0.00 0.00 42.92 39.80 2gum s ASP 701 CO 0.02 -0.18 1.75 0.22 0.52 0.00 0.00 175.17 177.49 2gum h TYR 702 N 8.14 0.37 -0.03 -5.34 3.20 -1.99 -0.09 116.97 121.24 2gum h TYR 702 Ca -0.30 0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.61 2gum h TYR 702 Cb 1.11 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 39.28 2gum h TYR 702 CO 0.60 0.11 -0.06 1.15 -1.64 0.00 0.00 178.16 178.31 2gum h THR 703 N 0.40 0.83 -0.21 1.81 2.02 -1.99 -0.06 112.91 115.70 2gum h THR 703 Ca 0.28 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.49 2gum h THR 703 Cb 0.33 0.83 -0.03 0.00 -1.74 0.00 0.00 68.15 67.54 2gum h THR 703 CO -0.28 0.00 0.03 -0.33 0.37 0.00 0.00 175.52 175.31 2gum h GLU 704 N -0.10 0.11 -0.09 6.66 4.39 -1.87 0.21 114.58 123.88 2gum h GLU 704 Ca 0.04 -0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.75 2gum h GLU 704 Cb 0.15 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.75 2gum h GLU 704 CO -0.09 0.07 -0.02 0.28 -1.16 0.00 0.00 179.01 178.10 2gum h VAL 705 N 0.11 0.91 -0.33 3.13 2.07 -0.75 -1.41 116.25 119.98 2gum h VAL 705 Ca 0.10 -0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.60 2gum h VAL 705 Cb 0.10 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 2gum h VAL 705 CO -0.14 0.00 0.14 1.56 0.02 0.00 0.00 177.57 179.15 2gum h GLN 706 N 0.01 0.49 -0.41 1.57 1.08 -0.78 0.01 115.11 117.07 2gum h GLN 706 Ca 0.05 -0.08 0.08 0.00 -1.45 0.00 0.00 58.65 57.25 2gum h GLN 706 Cb 0.06 -0.08 -0.08 0.00 -0.05 0.00 0.00 27.48 27.33 2gum h GLN 706 CO -0.09 0.48 -0.14 -0.09 -0.95 0.00 0.00 178.83 178.04 2gum h ARG 707 N 0.38 -0.04 -0.06 1.46 1.12 -0.35 0.08 114.38 116.97 2gum h ARG 707 Ca 0.11 0.00 -0.02 0.00 -1.11 0.00 0.00 59.98 58.96 2gum h ARG 707 Cb 0.17 0.01 -0.00 0.00 -0.01 0.00 0.00 29.97 30.14 2gum h ARG 707 CO -0.01 -0.03 -0.04 -0.09 -3.11 0.00 0.00 179.97 176.70 2gum h ARG 708 N -0.04 0.13 -0.65 0.20 2.43 -1.09 -3.24 114.38 112.11 2gum h ARG 708 Ca 0.20 -0.06 0.02 0.00 -0.81 0.00 0.00 59.98 59.33 2gum h ARG 708 Cb 0.35 -0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.86 2gum h ARG 708 CO -0.45 0.53 0.42 -0.91 -1.51 0.00 0.00 179.97 178.05 2gum h ASN 709 N -0.27 0.70 0.24 -3.80 4.21 -0.71 -1.74 115.58 114.23 2gum h ASN 709 Ca 0.01 -0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.51 2gum h ASN 709 Cb 0.50 -0.16 0.00 0.00 -1.12 0.00 0.00 38.32 37.53 2gum h ASN 709 CO 0.01 0.50 0.00 0.00 -1.29 0.00 0.00 177.43 176.65 2gum n GLN 710 N -4.67 0.25 0.00 0.81 6.02 -0.01 -1.58 117.38 118.20 2gum n GLN 710 Ca 0.06 0.13 0.13 0.00 -0.01 0.00 0.00 57.00 57.30 2gum n GLN 710 Cb 0.05 -1.50 0.27 0.00 1.02 0.00 0.00 30.24 30.08 2gum n GLN 710 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2gum n LEU 711 N -1.25 1.67 -0.03 1.08 4.77 -0.65 -4.50 117.00 118.09 2gum n LEU 711 Ca 0.08 -0.55 -0.08 0.00 -0.03 0.00 0.00 56.01 55.42 2gum n LEU 711 Cb 0.11 -0.05 -0.02 0.00 -2.33 0.00 0.00 43.42 41.13 2gum n LEU 711 CO 0.11 0.30 0.73 -0.74 -1.33 0.00 0.00 177.39 176.46 2gum h HIS 712 N 2.27 -0.49 -0.28 -1.77 2.76 -1.34 -0.89 115.15 115.41 2gum h HIS 712 Ca 0.00 0.03 -0.05 0.00 -2.20 0.00 0.00 60.37 58.15 2gum h HIS 712 Cb 0.64 0.25 -0.02 0.00 1.55 0.00 0.00 27.41 29.83 2gum h HIS 712 CO 0.00 -0.27 -0.04 -0.44 -1.30 0.00 0.00 177.93 175.89 2gum h ASP 713 N -0.21 0.41 0.78 3.26 3.32 -1.82 -0.08 116.42 122.09 2gum h ASP 713 Ca 0.12 -0.08 -0.10 0.00 0.02 0.00 0.00 57.03 57.00 2gum h ASP 713 Cb 0.39 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 2gum h ASP 713 CO -0.32 0.51 -0.46 -0.07 -1.72 0.00 0.00 179.24 177.17 2gum h LEU 714 N 0.42 0.00 0.12 1.55 3.38 -1.66 -2.21 115.31 116.91 2gum h LEU 714 Ca 0.09 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.72 2gum h LEU 714 Cb 0.34 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 2gum h LEU 714 CO 0.01 0.46 -1.83 0.03 0.09 0.00 0.00 178.44 177.20 2gum h ARG 715 N 0.00 0.26 -0.18 1.13 3.08 -0.51 -3.42 114.38 114.75 2gum h ARG 715 Ca -0.00 -0.45 0.00 0.00 0.07 0.00 0.00 59.98 59.60 2gum h ARG 715 Cb 0.98 0.17 0.00 0.00 0.08 0.00 0.00 29.97 31.20 2gum h ARG 715 CO 0.06 1.21 0.00 1.19 -1.07 0.00 0.00 179.97 181.36 2gum n PHE 716 N -3.64 0.24 -4.07 3.04 3.01 -0.10 -5.05 117.46 110.90 2gum n PHE 716 Ca -0.30 -0.45 -0.10 0.00 1.01 0.00 0.00 57.45 57.60 2gum n PHE 716 Cb 1.00 -0.03 -0.08 0.00 -0.01 0.00 0.00 39.48 40.36 2gum n PHE 716 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2gum s ALA 717 N -0.96 0.43 -0.26 4.37 0.00 -0.83 -5.03 121.76 119.49 2gum s ALA 717 Ca 0.13 -1.21 -0.11 0.00 0.00 0.00 0.00 51.96 50.76 2gum s ALA 717 Cb 0.07 1.05 -0.05 0.00 0.00 0.00 0.00 23.12 24.19 2gum s ALA 717 CO 0.09 -0.65 0.19 0.34 0.00 0.00 0.00 175.76 175.74 2gum s ASP 718 N -3.05 6.10 0.07 0.00 -1.08 -1.26 -4.55 116.67 112.90 2gum s ASP 718 Ca 0.26 0.09 0.24 0.00 -0.52 0.00 0.00 52.55 52.61 2gum s ASP 718 Cb 0.04 -2.12 0.21 0.00 -1.46 0.00 0.00 42.92 39.59 2gum s ASP 718 CO 0.06 -0.00 1.18 -0.38 0.52 0.00 0.00 175.17 176.54 2gum n ILE 719 N 4.65 0.21 -0.06 4.11 2.08 -1.26 -4.62 119.36 124.48 2gum n ILE 719 Ca -0.14 -0.22 -0.08 0.00 0.56 0.00 0.00 62.75 62.88 2gum n ILE 719 Cb 0.52 0.11 -0.05 0.00 -0.75 0.00 0.00 39.64 39.47 2gum n ILE 719 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 2gum n ASP 720 N -1.94 3.10 -4.66 4.38 8.00 -1.26 -5.02 116.55 119.15 2gum n ASP 720 Ca 0.03 -0.06 -0.47 0.00 0.71 0.00 0.00 54.79 55.00 2gum n ASP 720 Cb 0.42 -0.18 -0.05 0.00 -0.02 0.00 0.00 41.12 41.30 2gum n ASP 720 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2gum n THR 721 N -2.84 0.03 -4.85 -3.53 -1.04 -1.26 -4.99 114.28 95.81 2gum n THR 721 Ca -0.20 -0.01 -0.33 0.00 -2.04 0.00 0.00 64.05 61.48 2gum n THR 721 Cb 0.71 -1.41 -0.14 0.00 -1.82 0.00 0.00 70.33 67.66 2gum n THR 721 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2gum s VAL 722 N 1.00 2.97 -0.10 12.58 1.01 -1.26 -5.08 120.40 131.52 2gum s VAL 722 Ca 0.81 -0.71 -0.00 0.00 0.00 0.00 0.00 61.98 62.07 2gum s VAL 722 Cb -0.73 -2.21 -0.03 0.00 0.00 0.00 0.00 36.38 33.40 2gum s VAL 722 CO 0.40 0.55 -0.07 -0.63 0.00 0.00 0.00 175.10 175.35 2gum s ILE 723 N 0.05 3.68 -0.02 2.22 -1.09 -1.26 -5.11 121.20 119.67 2gum s ILE 723 Ca -0.05 -0.47 -0.02 0.00 -2.23 0.00 0.00 60.65 57.88 2gum s ILE 723 Cb -0.15 -2.54 0.01 0.00 -1.58 0.00 0.00 42.46 38.20 2gum s ILE 723 CO 0.04 0.56 0.06 -1.38 -1.23 0.00 0.00 174.94 173.00 2gum s HIS 724 N -0.37 -0.06 0.00 3.97 -3.43 -1.26 -5.34 115.29 108.80 2gum s HIS 724 Ca 0.05 0.15 0.00 0.00 -0.80 0.00 0.00 55.06 54.46 2gum s HIS 724 Cb -0.12 0.02 0.00 0.00 -1.43 0.00 0.00 32.58 31.05 2gum s HIS 724 CO 0.02 -0.03 0.00 0.00 -2.00 0.00 0.00 174.74 172.73