#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xyu s VAL 122 N 0.00 3.35 -0.68 3.34 -7.23 -1.26 -4.91 120.40 113.01 1xyu s VAL 122 Ca 0.00 0.33 0.04 0.00 -1.81 0.00 0.00 61.98 60.55 1xyu s VAL 122 Cb 0.00 -3.55 0.28 0.00 0.56 0.00 0.00 36.38 33.67 1xyu s VAL 122 CO 0.00 -0.40 0.92 0.61 -0.31 0.00 0.00 175.10 175.92 1xyu n GLY 123 N 5.56 5.14 0.00 2.32 0.00 -1.26 -4.60 105.19 112.36 1xyu n GLY 123 Ca 0.25 -2.76 0.00 0.00 0.00 0.00 0.00 46.02 43.50 1xyu n GLY 123 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xyu n GLY 124 N 0.54 1.71 0.03 -0.02 0.00 -1.26 -5.05 105.19 101.15 1xyu n GLY 124 Ca 0.31 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.29 1xyu n GLY 124 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xyu n LEU 125 N 0.00 0.69 0.00 0.99 4.77 -1.26 -5.05 117.00 117.14 1xyu n LEU 125 Ca 0.00 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1xyu n LEU 125 Cb 0.00 0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1xyu n LEU 125 CO 0.00 0.25 0.00 0.61 -1.33 0.00 0.00 177.39 176.92 1xyu n GLY 126 N 2.78 0.71 0.00 -0.72 0.00 -1.26 -4.61 105.19 102.09 1xyu n GLY 126 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1xyu n GLY 126 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xyu n GLY 127 N -2.08 0.00 3.89 -0.02 0.00 -1.26 -5.18 105.19 100.54 1xyu n GLY 127 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 1xyu n GLY 127 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xyu s TYR 128 N 0.00 2.74 0.21 1.61 1.51 -1.26 -4.73 117.35 117.43 1xyu s TYR 128 Ca 0.00 -0.46 -0.08 0.00 -1.01 0.00 0.00 57.07 55.52 1xyu s TYR 128 Cb 0.00 -2.16 -0.02 0.00 -0.11 0.00 0.00 41.96 39.67 1xyu s TYR 128 CO 0.00 -0.12 0.31 0.00 -1.11 0.00 0.00 175.55 174.63 1xyu s MET 129 N -4.14 1.33 -0.26 -0.62 0.23 0.25 -4.80 119.30 111.29 1xyu s MET 129 Ca 0.48 -1.36 0.02 0.00 -1.03 0.00 0.00 55.69 53.81 1xyu s MET 129 Cb -0.04 0.38 0.06 0.00 -1.53 0.00 0.00 34.83 33.70 1xyu s MET 129 CO 0.28 -0.50 -0.06 -1.17 -2.03 0.00 0.00 175.02 171.54 1xyu s LEU 130 N -3.05 3.13 -0.10 0.18 2.96 -1.26 -2.11 118.68 118.43 1xyu s LEU 130 Ca 0.26 -1.37 -0.06 0.00 -0.22 0.00 0.00 54.13 52.74 1xyu s LEU 130 Cb 0.03 -1.37 -0.05 0.00 0.50 0.00 0.00 46.19 45.30 1xyu s LEU 130 CO 0.08 -0.23 0.18 1.23 -1.32 0.00 0.00 176.35 176.28 1xyu h GLY 131 N 7.85 -0.04 0.00 7.98 0.00 -1.94 -3.50 103.07 113.41 1xyu h GLY 131 Ca -0.17 0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.18 1xyu h GLY 131 CO 0.44 -0.02 0.00 -1.26 0.00 0.00 0.00 176.54 175.71 1xyu n SER 132 N -4.78 0.00 -4.35 0.19 2.88 -1.26 -5.19 113.62 101.11 1xyu n SER 132 Ca -0.02 -0.32 -0.18 0.00 -1.33 0.00 0.00 58.87 57.02 1xyu n SER 132 Cb 0.09 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.45 1xyu n SER 132 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xyu s ALA 133 N -1.00 1.91 0.18 -1.46 0.00 -1.26 -4.47 121.76 115.65 1xyu s ALA 133 Ca 0.00 -1.90 -0.23 0.00 0.00 0.00 0.00 51.96 49.83 1xyu s ALA 133 Cb 0.00 0.82 0.06 0.00 0.00 0.00 0.00 23.12 24.00 1xyu s ALA 133 CO 0.00 -0.37 0.72 0.00 0.00 0.00 0.00 175.76 176.11 1xyu s MET 134 N -3.96 1.37 1.09 0.00 0.23 -0.00 -4.97 119.30 113.06 1xyu s MET 134 Ca 0.35 -0.64 -0.12 0.00 -1.03 0.00 0.00 55.69 54.25 1xyu s MET 134 Cb 0.08 0.54 0.24 0.00 -1.53 0.00 0.00 34.83 34.16 1xyu s MET 134 CO 0.13 -0.61 1.06 -1.54 -2.03 0.00 0.00 175.02 172.02 1xyu s SER 135 N -2.79 1.73 0.14 -1.18 1.04 -1.26 -4.71 113.70 106.67 1xyu s SER 135 Ca 0.06 1.41 -0.31 0.00 0.48 0.00 0.00 55.95 57.59 1xyu s SER 135 Cb -0.03 -2.13 -0.10 0.00 0.10 0.00 0.00 66.02 63.86 1xyu s SER 135 CO -0.04 -3.72 1.79 -0.13 0.98 0.00 0.00 173.24 172.12 1xyu s ARG 136 N -4.68 4.14 0.00 4.02 1.81 -1.26 -4.88 118.95 118.11 1xyu s ARG 136 Ca 0.67 2.57 0.11 0.00 -1.72 0.00 0.00 55.73 57.36 1xyu s ARG 136 Cb -0.22 -3.48 0.50 0.00 -0.45 0.00 0.00 34.95 31.29 1xyu s ARG 136 CO 0.61 -0.81 1.31 -0.35 -0.68 0.00 0.00 175.30 175.38 1xyu n PRO 137 N 5.30 0.06 -3.09 3.54 -0.04 -1.26 -4.93 135.00 134.58 1xyu n PRO 137 Ca 0.17 0.26 -0.13 0.00 -0.04 0.00 0.00 63.50 63.77 1xyu n PRO 137 Cb 0.38 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.35 1xyu n PRO 137 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1xyu n LEU 138 N -1.42 -5.32 -4.88 1.53 0.00 -1.26 -4.98 117.00 100.66 1xyu n LEU 138 Ca 0.04 0.52 -0.29 0.00 0.00 0.00 0.00 56.01 56.28 1xyu n LEU 138 Cb 0.11 -2.42 0.10 0.00 0.00 0.00 0.00 43.42 41.21 1xyu n LEU 138 CO 0.09 -1.67 0.78 -0.63 0.00 0.00 0.00 177.39 175.96 1xyu s ILE 139 N -1.64 2.01 -0.32 1.96 -1.09 -1.26 -5.07 121.20 115.80 1xyu s ILE 139 Ca 0.16 0.00 0.03 0.00 -2.23 0.00 0.00 60.65 58.61 1xyu s ILE 139 Cb -0.03 -2.97 0.09 0.00 -1.58 0.00 0.00 42.46 37.98 1xyu s ILE 139 CO 0.60 -0.01 0.04 -1.38 -1.23 0.00 0.00 174.94 172.96 1xyu s HIS 140 N -3.54 3.21 -0.07 3.97 -3.43 -1.26 -4.99 115.29 109.18 1xyu s HIS 140 Ca 0.62 -2.59 -0.09 0.00 -0.80 0.00 0.00 55.06 52.20 1xyu s HIS 140 Cb -0.12 -2.49 -0.03 0.00 -1.43 0.00 0.00 32.58 28.52 1xyu s HIS 140 CO 0.50 -0.91 -0.17 1.19 -2.00 0.00 0.00 174.74 173.34 1xyu n PHE 141 N 4.42 0.00 -1.62 0.38 3.72 -1.26 -5.01 117.46 118.09 1xyu n PHE 141 Ca -0.00 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.22 1xyu n PHE 141 Cb 0.42 -0.25 -0.07 0.00 -0.94 0.00 0.00 39.48 38.65 1xyu n PHE 141 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xyu n GLY 142 N 2.01 1.39 0.00 1.37 0.00 -1.26 -4.93 105.19 103.77 1xyu n GLY 142 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1xyu n GLY 142 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xyu n ASN 143 N -1.10 0.00 0.00 1.61 3.02 -1.26 -4.99 115.26 112.54 1xyu n ASN 143 Ca -0.18 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.37 1xyu n ASN 143 Cb 0.58 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.75 1xyu n ASN 143 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1xyu n ASP 144 N 0.00 0.00 -0.09 6.41 2.03 -1.26 -4.97 116.55 118.67 1xyu n ASP 144 Ca 0.00 0.00 -0.18 0.00 0.52 0.00 0.00 54.79 55.13 1xyu n ASP 144 Cb 0.00 0.00 -0.12 0.00 -0.72 0.00 0.00 41.12 40.28 1xyu n ASP 144 CO 0.00 0.00 0.00 0.10 -1.92 0.00 0.00 177.20 175.38 1xyu h TYR 145 N 0.00 0.00 -0.98 -0.67 -0.00 -2.01 -3.36 116.97 109.95 1xyu h TYR 145 Ca 0.00 0.00 0.34 0.00 0.00 0.00 0.00 58.73 59.07 1xyu h TYR 145 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 36.73 36.57 1xyu h TYR 145 CO 0.00 1.24 0.46 0.93 -0.00 0.00 0.00 178.16 180.79 1xyu h GLU 146 N -1.00 0.17 -1.01 0.10 5.08 -1.95 0.19 114.58 116.16 1xyu h GLU 146 Ca -0.19 -0.01 0.21 0.00 -1.00 0.00 0.00 59.36 58.36 1xyu h GLU 146 Cb 1.15 -0.04 -0.11 0.00 0.50 0.00 0.00 28.75 30.25 1xyu h GLU 146 CO -0.12 0.11 0.61 0.22 -1.00 0.00 0.00 179.01 178.83 1xyu h ASP 147 N 0.18 0.75 0.00 1.42 3.58 -1.93 -1.47 116.42 118.94 1xyu h ASP 147 Ca 0.73 0.11 -0.30 0.00 0.42 0.00 0.00 57.03 57.99 1xyu h ASP 147 Cb 1.73 -0.02 -0.05 0.00 1.72 0.00 0.00 39.33 42.71 1xyu h ASP 147 CO -0.70 0.22 -2.10 -1.14 -2.88 0.00 0.00 179.24 172.65 1xyu n ARG 148 N -4.80 0.46 -0.34 0.28 0.63 -0.27 -4.51 116.66 108.11 1xyu n ARG 148 Ca 0.25 0.13 0.11 0.00 -0.92 0.00 0.00 57.85 57.41 1xyu n ARG 148 Cb 0.63 -1.34 0.31 0.00 0.45 0.00 0.00 32.46 32.51 1xyu n ARG 148 CO 0.00 0.00 0.00 -0.92 -2.51 0.00 0.00 177.63 174.20 1xyu h TYR 149 N -0.21 1.04 0.49 -0.14 3.20 -0.60 0.85 116.97 121.60 1xyu h TYR 149 Ca -0.45 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.43 1xyu h TYR 149 Cb 1.60 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 39.54 1xyu h TYR 149 CO -0.00 0.34 -0.36 -0.92 -1.64 0.00 0.00 178.16 175.58 1xyu h TYR 150 N 0.84 -0.97 -0.66 -3.82 3.20 -1.50 -2.34 116.97 111.73 1xyu h TYR 150 Ca 0.52 -0.00 0.18 0.00 3.14 0.00 0.00 58.73 62.56 1xyu h TYR 150 Cb 0.70 0.36 -0.03 0.00 1.54 0.00 0.00 36.73 39.30 1xyu h TYR 150 CO -0.00 -0.51 0.47 0.00 -1.64 0.00 0.00 178.16 176.47 1xyu h ARG 151 N -0.81 0.10 0.00 1.82 3.08 -1.14 0.38 114.38 117.80 1xyu h ARG 151 Ca -0.07 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.98 1xyu h ARG 151 Cb 0.67 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.70 1xyu h ARG 151 CO 0.03 0.06 -0.29 0.93 -1.07 0.00 0.00 179.97 179.63 1xyu h GLU 152 N 0.10 0.00 0.00 0.04 5.08 -0.98 -3.38 114.58 115.44 1xyu h GLU 152 Ca 0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 1xyu h GLU 152 Cb 1.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1xyu h GLU 152 CO -0.03 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.07 1xyu n ASN 153 N -2.86 0.54 0.27 1.42 3.02 -0.05 -4.79 115.26 112.81 1xyu n ASN 153 Ca 0.03 -0.77 0.18 0.00 -0.03 0.00 0.00 54.58 53.99 1xyu n ASN 153 Cb 0.52 0.44 0.82 0.00 -0.61 0.00 0.00 39.78 40.95 1xyu n ASN 153 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xyu h MET 154 N 0.00 0.00 0.00 3.52 -0.00 -0.53 -3.06 114.93 114.86 1xyu h MET 154 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 1xyu h MET 154 Cb 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.61 1xyu h MET 154 CO 0.00 0.00 0.00 2.48 -0.00 0.00 0.00 176.91 179.39 1xyu n TYR 155 N -2.90 0.60 -3.08 -0.10 0.18 -1.26 -3.20 117.16 107.41 1xyu n TYR 155 Ca -0.00 0.31 -0.23 0.00 1.88 0.00 0.00 57.90 59.85 1xyu n TYR 155 Cb 0.20 -0.99 -0.04 0.00 -0.38 0.00 0.00 39.34 38.13 1xyu n TYR 155 CO 0.00 0.00 0.00 2.89 -2.08 0.00 0.00 176.86 177.67 1xyu n ARG 156 N -2.12 2.17 -4.49 -3.48 1.85 -1.16 -5.07 116.66 104.37 1xyu n ARG 156 Ca -0.01 -4.18 -0.23 0.00 -1.00 0.00 0.00 57.85 52.43 1xyu n ARG 156 Cb 0.05 -1.98 -0.10 0.00 -1.05 0.00 0.00 32.46 29.38 1xyu n ARG 156 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 1xyu s TYR 157 N -2.90 1.97 0.82 2.89 2.02 -1.19 -5.14 117.35 115.81 1xyu s TYR 157 Ca 0.44 -0.99 -0.12 0.00 -0.37 0.00 0.00 57.07 56.03 1xyu s TYR 157 Cb 0.30 -1.31 0.09 0.00 -0.40 0.00 0.00 41.96 40.64 1xyu s TYR 157 CO -0.11 -0.00 1.15 -1.25 -1.57 0.00 0.00 175.55 173.77 1xyu s PRO 158 N -3.85 1.67 -0.01 -1.71 0.04 -1.26 -4.96 135.00 124.91 1xyu s PRO 158 Ca 0.33 1.51 0.02 0.00 0.04 0.00 0.00 61.00 62.90 1xyu s PRO 158 Cb 0.07 -1.80 0.03 0.00 0.04 0.00 0.00 34.50 32.84 1xyu s PRO 158 CO 0.15 -2.14 0.93 0.27 0.04 0.00 0.00 177.00 176.24 1xyu n ASN 159 N -3.60 1.63 -3.69 6.66 6.94 -1.26 -5.00 115.26 116.93 1xyu n ASN 159 Ca 0.12 -1.94 -0.12 0.00 -0.02 0.00 0.00 54.58 52.62 1xyu n ASN 159 Cb 0.52 -0.05 -0.05 0.00 -2.36 0.00 0.00 39.78 37.83 1xyu n ASN 159 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 1xyu s GLN 160 N -0.99 1.66 0.05 -3.83 -0.21 -1.26 -0.82 119.66 114.26 1xyu s GLN 160 Ca 0.03 -1.52 -0.05 0.00 0.02 0.00 0.00 55.36 53.85 1xyu s GLN 160 Cb 0.03 0.44 -0.01 0.00 1.00 0.00 0.00 33.01 34.46 1xyu s GLN 160 CO 0.00 -0.68 0.09 0.14 -2.12 0.00 0.00 175.29 172.72 1xyu s VAL 161 N -3.60 0.15 -0.23 1.09 -7.23 -1.26 -5.02 120.40 104.30 1xyu s VAL 161 Ca 0.28 -1.21 -0.15 0.00 -1.81 0.00 0.00 61.98 59.09 1xyu s VAL 161 Cb 0.00 -1.04 -0.04 0.00 0.56 0.00 0.00 36.38 35.86 1xyu s VAL 161 CO 0.14 -0.67 0.34 -0.31 -0.31 0.00 0.00 175.10 174.29 1xyu s TYR 162 N -2.97 3.33 0.29 2.82 2.02 -1.26 -4.48 117.35 117.10 1xyu s TYR 162 Ca -0.02 0.48 0.04 0.00 -0.37 0.00 0.00 57.07 57.20 1xyu s TYR 162 Cb 0.01 -2.49 -0.03 0.00 -0.40 0.00 0.00 41.96 39.05 1xyu s TYR 162 CO -0.06 -0.05 0.21 1.52 -1.57 0.00 0.00 175.55 175.59 1xyu s TYR 163 N 1.46 1.55 0.19 2.71 1.13 -0.90 -4.45 117.35 119.04 1xyu s TYR 163 Ca 0.16 -1.52 0.06 0.00 -1.41 0.00 0.00 57.07 54.35 1xyu s TYR 163 Cb -0.15 -0.70 -0.04 0.00 -1.10 0.00 0.00 41.96 39.97 1xyu s TYR 163 CO 0.08 -0.73 0.16 1.03 -2.51 0.00 0.00 175.55 173.58 1xyu s ARG 164 N -3.74 2.92 0.96 -3.49 0.52 -1.26 -0.58 118.95 114.29 1xyu s ARG 164 Ca 0.39 -0.92 -0.11 0.00 -0.52 0.00 0.00 55.73 54.57 1xyu s ARG 164 Cb 0.04 -2.63 0.17 0.00 0.52 0.00 0.00 34.95 33.05 1xyu s ARG 164 CO 0.21 0.46 1.10 -1.25 0.02 0.00 0.00 175.30 175.84 1xyu s PRO 165 N -3.32 0.69 0.00 3.54 0.04 -1.26 -4.88 135.00 129.81 1xyu s PRO 165 Ca 0.32 1.19 0.07 0.00 0.04 0.00 0.00 61.00 62.62 1xyu s PRO 165 Cb -0.09 -1.72 0.42 0.00 0.04 0.00 0.00 34.50 33.15 1xyu s PRO 165 CO 0.24 -2.74 0.85 1.33 0.04 0.00 0.00 177.00 176.73 1xyu n VAL 166 N -4.27 0.00 -2.10 -0.36 0.24 -1.26 -4.78 118.33 105.80 1xyu n VAL 166 Ca 0.08 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 61.98 1xyu n VAL 166 Cb 0.53 -0.82 -0.02 0.00 -1.47 0.00 0.00 33.84 32.06 1xyu n VAL 166 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1xyu s ASP 167 N -1.97 6.76 0.00 -1.34 -1.08 -1.26 -3.49 116.67 114.29 1xyu s ASP 167 Ca 0.11 2.67 0.00 0.00 -0.52 0.00 0.00 52.55 54.80 1xyu s ASP 167 Cb 0.05 -2.64 0.00 0.00 -1.46 0.00 0.00 42.92 38.87 1xyu s ASP 167 CO 0.08 -0.56 0.00 1.57 0.52 0.00 0.00 175.17 176.78 1xyu n HIS 168 N 1.19 0.00 -3.53 -5.34 -0.00 -1.26 -4.77 115.22 101.51 1xyu n HIS 168 Ca 0.02 0.00 -0.24 0.00 -0.00 0.00 0.00 57.72 57.50 1xyu n HIS 168 Cb 0.42 0.00 -0.14 0.00 -0.00 0.00 0.00 29.99 30.26 1xyu n HIS 168 CO 0.00 0.00 0.00 1.52 -0.00 0.00 0.00 176.34 177.86 1xyu s TYR 169 N 0.00 0.02 -0.51 1.57 1.13 -1.23 -5.08 117.35 113.26 1xyu s TYR 169 Ca 0.00 -0.34 -0.16 0.00 -1.41 0.00 0.00 57.07 55.16 1xyu s TYR 169 Cb 0.00 -0.64 0.10 0.00 -1.10 0.00 0.00 41.96 40.32 1xyu s TYR 169 CO 0.00 -0.69 0.46 -1.54 -2.51 0.00 0.00 175.55 171.27 1xyu s SER 170 N 2.20 6.17 -0.01 -0.18 1.04 -1.23 -4.64 113.70 117.06 1xyu s SER 170 Ca 0.06 -1.53 -0.12 0.00 0.48 0.00 0.00 55.95 54.84 1xyu s SER 170 Cb -0.16 -2.20 0.02 0.00 0.10 0.00 0.00 66.02 63.78 1xyu s SER 170 CO -0.22 -0.77 0.26 0.54 0.98 0.00 0.00 173.24 174.03 1xyu s ASN 171 N 3.10 -0.13 0.06 7.02 2.20 -1.26 -5.05 114.94 120.88 1xyu s ASN 171 Ca 0.04 0.02 -0.28 0.00 -0.94 0.00 0.00 52.86 51.70 1xyu s ASN 171 Cb -0.27 0.29 -0.17 0.00 -2.00 0.00 0.00 41.25 39.10 1xyu s ASN 171 CO 0.05 -0.41 1.57 -0.61 -2.94 0.00 0.00 177.10 174.76 1xyu h GLN 172 N 4.07 -0.48 -0.55 3.55 5.75 -1.96 -3.30 115.11 122.19 1xyu h GLN 172 Ca -0.30 0.03 0.06 0.00 -0.15 0.00 0.00 58.65 58.30 1xyu h GLN 172 Cb 1.18 0.11 -0.06 0.00 1.07 0.00 0.00 27.48 29.79 1xyu h GLN 172 CO 0.40 -0.27 0.25 -0.91 -2.65 0.00 0.00 178.83 175.65 1xyu h ASN 173 N -0.58 0.32 -0.46 -0.69 4.21 -1.99 -0.21 115.58 116.18 1xyu h ASN 173 Ca -0.05 0.05 -0.12 0.00 1.21 0.00 0.00 56.30 57.38 1xyu h ASN 173 Cb 0.43 -0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.62 1xyu h ASN 173 CO 0.08 0.21 -0.19 0.78 -1.29 0.00 0.00 177.43 177.02 1xyu h ASN 174 N 0.47 0.97 0.00 5.81 2.35 -1.99 -0.57 115.58 122.63 1xyu h ASN 174 Ca 0.26 -0.39 0.00 0.00 -0.55 0.00 0.00 56.30 55.62 1xyu h ASN 174 Cb 0.23 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.33 1xyu h ASN 174 CO -0.21 1.15 0.00 0.49 -1.65 0.00 0.00 177.43 177.20 1xyu n PHE 175 N -4.16 0.00 0.02 1.19 3.01 -0.17 -0.76 117.46 116.59 1xyu n PHE 175 Ca -0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1xyu n PHE 175 Cb 0.44 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.90 1xyu n PHE 175 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1xyu n VAL 176 N -0.31 0.56 0.29 -4.37 0.31 -0.70 -4.08 118.33 110.02 1xyu n VAL 176 Ca 0.00 0.18 -0.16 0.00 -0.01 0.00 0.00 64.34 64.36 1xyu n VAL 176 Cb 0.02 -1.26 -0.08 0.00 -0.91 0.00 0.00 33.84 31.61 1xyu n VAL 176 CO 0.00 0.00 0.00 -0.74 -1.32 0.00 0.00 176.83 174.77 1xyu h HIS 177 N 0.00 -0.65 -0.72 3.52 -0.00 -0.96 0.11 115.15 116.45 1xyu h HIS 177 Ca 0.00 -0.02 -0.04 0.00 -0.00 0.00 0.00 60.37 60.31 1xyu h HIS 177 Cb 0.00 0.22 -0.03 0.00 -0.00 0.00 0.00 27.41 27.59 1xyu h HIS 177 CO 0.00 -0.36 0.29 0.22 -0.00 0.00 0.00 177.93 178.08 1xyu h ASP 178 N -0.82 0.99 0.23 3.26 3.58 -1.16 -0.40 116.42 122.09 1xyu h ASP 178 Ca -0.07 -0.17 -0.01 0.00 0.42 0.00 0.00 57.03 57.20 1xyu h ASP 178 Cb 0.59 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.38 1xyu h ASP 178 CO 0.12 0.89 -0.11 0.00 -2.88 0.00 0.00 179.24 177.26 1xyu h VAL 180 N -0.43 0.55 -0.04 0.00 2.07 -0.63 0.24 116.25 118.01 1xyu h VAL 180 Ca -0.03 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.53 1xyu h VAL 180 Cb 0.33 0.55 -0.05 0.00 -1.52 0.00 0.00 31.29 30.59 1xyu h VAL 180 CO 0.05 0.00 -0.32 -1.13 0.02 0.00 0.00 177.57 176.19 1xyu h ASN 181 N -0.35 -0.97 -0.33 0.57 -1.24 -1.01 0.14 115.58 112.38 1xyu h ASN 181 Ca 0.04 0.13 0.04 0.00 0.71 0.00 0.00 56.30 57.23 1xyu h ASN 181 Cb 0.39 0.40 -0.04 0.00 0.73 0.00 0.00 38.32 39.80 1xyu h ASN 181 CO -0.14 -0.38 0.08 0.40 -1.29 0.00 0.00 177.43 176.11 1xyu h ILE 182 N -0.45 0.86 0.31 2.57 1.08 -1.11 0.87 117.51 121.64 1xyu h ILE 182 Ca 0.07 -0.07 -0.02 0.00 -0.39 0.00 0.00 64.86 64.45 1xyu h ILE 182 Cb 0.56 0.63 0.00 0.00 -3.07 0.00 0.00 36.82 34.94 1xyu h ILE 182 CO -0.29 0.04 -0.15 0.74 -0.69 0.00 0.00 178.15 177.79 1xyu h THR 183 N 0.21 0.72 -0.08 -0.27 2.02 -0.19 0.13 112.91 115.44 1xyu h THR 183 Ca 0.15 -0.26 0.03 0.00 0.77 0.00 0.00 66.41 67.11 1xyu h THR 183 Cb 0.16 0.86 -0.03 0.00 -1.74 0.00 0.00 68.15 67.39 1xyu h THR 183 CO -0.19 0.05 -0.10 0.58 0.37 0.00 0.00 175.52 176.23 1xyu h VAL 184 N -0.56 0.72 -0.60 3.16 2.07 -0.66 -1.96 116.25 118.42 1xyu h VAL 184 Ca -0.04 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.56 1xyu h VAL 184 Cb 0.41 0.72 -0.07 0.00 -1.52 0.00 0.00 31.29 30.83 1xyu h VAL 184 CO 0.07 0.00 0.24 0.50 0.02 0.00 0.00 177.57 178.40 1xyu h LYS 185 N -0.14 0.41 -0.56 1.57 3.64 -0.72 -1.54 116.57 119.24 1xyu h LYS 185 Ca 0.07 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.39 1xyu h LYS 185 Cb 0.23 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.93 1xyu h LYS 185 CO -0.16 0.27 0.24 1.96 -2.27 0.00 0.00 179.45 179.49 1xyu h GLN 186 N 0.43 0.80 -0.38 1.90 1.08 -0.17 0.28 115.11 119.05 1xyu h GLN 186 Ca 0.30 -0.11 -0.11 0.00 -1.45 0.00 0.00 58.65 57.28 1xyu h GLN 186 Cb 0.35 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.61 1xyu h GLN 186 CO -0.29 0.65 -0.19 1.25 -0.95 0.00 0.00 178.83 179.30 1xyu h HIS 187 N 0.79 0.81 0.22 2.96 2.76 -0.58 -2.12 115.15 119.99 1xyu h HIS 187 Ca 0.19 -0.17 -0.33 0.00 -2.20 0.00 0.00 60.37 57.86 1xyu h HIS 187 Cb 0.14 -0.20 0.03 0.00 1.55 0.00 0.00 27.41 28.92 1xyu h HIS 187 CO 0.01 0.86 -1.53 1.79 -1.30 0.00 0.00 177.93 177.77 1xyu h THR 188 N 0.64 1.16 -0.54 6.26 1.35 -0.60 -3.24 112.91 117.95 1xyu h THR 188 Ca 0.10 -2.60 0.11 0.00 -0.55 0.00 0.00 66.41 63.46 1xyu h THR 188 Cb 0.68 2.94 -0.10 0.00 -1.73 0.00 0.00 68.15 69.94 1xyu h THR 188 CO 0.05 0.81 -0.14 0.58 -0.25 0.00 0.00 175.52 176.57 1xyu h VAL 189 N 0.07 0.45 0.00 6.82 2.07 -0.53 0.30 116.25 125.43 1xyu h VAL 189 Ca -0.28 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.24 1xyu h VAL 189 Cb 2.08 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 32.30 1xyu h VAL 189 CO 0.22 0.00 0.09 0.41 0.02 0.00 0.00 177.57 178.31 1xyu n THR 190 N -5.38 1.30 0.03 2.57 -1.04 -0.80 -1.48 114.28 109.48 1xyu n THR 190 Ca 0.05 0.62 0.01 0.00 -2.04 0.00 0.00 64.05 62.69 1xyu n THR 190 Cb 0.29 -1.62 0.01 0.00 -1.82 0.00 0.00 70.33 67.19 1xyu n THR 190 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1xyu n THR 191 N -1.81 0.38 -0.33 12.58 -1.04 0.98 -4.65 114.28 120.38 1xyu n THR 191 Ca -0.01 -0.69 0.03 0.00 -2.04 0.00 0.00 64.05 61.34 1xyu n THR 191 Cb 0.10 0.83 0.17 0.00 -1.82 0.00 0.00 70.33 69.61 1xyu n THR 191 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1xyu h THR 192 N 0.26 1.02 -0.34 12.58 1.03 -0.37 0.21 112.91 127.31 1xyu h THR 192 Ca 0.00 -0.35 0.10 0.00 -0.01 0.00 0.00 66.41 66.15 1xyu h THR 192 Cb 0.24 -0.08 -0.01 0.00 -1.07 0.00 0.00 68.15 67.23 1xyu h THR 192 CO 0.00 0.18 0.34 0.74 -0.01 0.00 0.00 175.52 176.78 1xyu h THR 193 N 1.01 0.45 -0.31 0.00 2.02 -1.83 -1.49 112.91 112.76 1xyu h THR 193 Ca 0.41 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.59 1xyu h THR 193 Cb 0.25 0.73 0.00 0.00 -1.74 0.00 0.00 68.15 67.39 1xyu h THR 193 CO -0.20 0.00 0.00 0.29 0.37 0.00 0.00 175.52 175.98 1xyu n LYS 194 N -3.83 2.88 -2.24 6.66 5.02 0.57 -4.97 118.16 122.25 1xyu n LYS 194 Ca 0.05 -2.13 -0.11 0.00 -2.02 0.00 0.00 58.31 54.11 1xyu n LYS 194 Cb 0.50 -1.33 -0.00 0.00 -0.02 0.00 0.00 35.03 34.18 1xyu n LYS 194 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xyu n GLY 195 N 0.29 -0.06 3.60 0.72 0.00 -0.53 -4.27 105.19 104.95 1xyu n GLY 195 Ca 0.12 -0.43 -0.33 0.00 0.00 0.00 0.00 46.02 45.38 1xyu n GLY 195 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xyu n GLU 196 N -2.05 -1.79 0.24 1.61 1.02 -0.17 -4.86 120.64 114.64 1xyu n GLU 196 Ca -0.12 1.19 0.08 0.00 -0.02 0.00 0.00 57.16 58.29 1xyu n GLU 196 Cb 0.59 -2.21 0.60 0.00 -0.02 0.00 0.00 31.44 30.40 1xyu n GLU 196 CO 0.00 0.00 0.00 -2.95 1.18 0.00 0.00 177.13 175.36 1xyu h ASN 197 N 1.20 0.00 -3.36 1.62 -1.07 -1.82 -3.45 115.58 108.70 1xyu h ASN 197 Ca -0.58 0.00 -0.52 0.00 0.07 0.00 0.00 56.30 55.26 1xyu h ASN 197 Cb 1.40 0.00 0.02 0.00 -2.07 0.00 0.00 38.32 37.67 1xyu h ASN 197 CO 0.28 0.16 0.62 -0.36 0.07 0.00 0.00 177.43 178.20 1xyu s PHE 198 N -4.46 3.33 0.42 4.14 0.40 -1.26 -5.02 117.98 115.54 1xyu s PHE 198 Ca -0.04 1.27 -0.02 0.00 -0.60 0.00 0.00 56.93 57.54 1xyu s PHE 198 Cb 0.15 -3.54 -0.03 0.00 0.51 0.00 0.00 43.02 40.11 1xyu s PHE 198 CO 0.65 -1.66 0.67 0.95 0.70 0.00 0.00 175.22 176.53 1xyu s THR 199 N 0.24 4.74 0.16 0.64 -4.23 -1.26 -4.83 115.64 111.09 1xyu s THR 199 Ca 0.56 -0.23 -0.22 0.00 -1.18 0.00 0.00 61.69 60.62 1xyu s THR 199 Cb -0.35 -3.76 0.05 0.00 1.34 0.00 0.00 72.50 69.79 1xyu s THR 199 CO 0.36 -0.60 1.61 -0.08 -0.54 0.00 0.00 174.62 175.37 1xyu h GLU 200 N 0.46 -0.24 0.00 3.99 4.81 -1.98 0.47 114.58 122.08 1xyu h GLU 200 Ca -0.48 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 1xyu h GLU 200 Cb 1.22 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.66 1xyu h GLU 200 CO 0.61 -0.16 0.00 1.15 -0.73 0.00 0.00 179.01 179.88 1xyu h THR 201 N -0.25 0.00 0.08 0.32 2.02 -1.99 0.15 112.91 113.24 1xyu h THR 201 Ca 0.16 -0.15 -0.29 0.00 0.77 0.00 0.00 66.41 66.90 1xyu h THR 201 Cb 0.51 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 67.75 1xyu h THR 201 CO -0.49 0.00 -1.55 -0.78 0.37 0.00 0.00 175.52 173.07 1xyu h ASP 202 N 0.00 0.26 -0.62 4.18 1.82 -1.39 -3.32 116.42 117.35 1xyu h ASP 202 Ca 0.00 -0.77 0.07 0.00 -0.39 0.00 0.00 57.03 55.94 1xyu h ASP 202 Cb 0.21 -0.08 -0.06 0.00 0.68 0.00 0.00 39.33 40.08 1xyu h ASP 202 CO 0.00 1.65 0.30 0.40 -1.61 0.00 0.00 179.24 179.99 1xyu h ILE 203 N -0.42 0.90 -0.39 2.25 1.08 -0.03 -1.21 117.51 119.69 1xyu h ILE 203 Ca -0.36 -0.19 -0.02 0.00 -0.39 0.00 0.00 64.86 63.90 1xyu h ILE 203 Cb 1.69 0.29 -0.02 0.00 -3.07 0.00 0.00 36.82 35.72 1xyu h ILE 203 CO -0.03 0.10 0.16 0.11 -0.69 0.00 0.00 178.15 177.80 1xyu h LYS 204 N 0.56 0.58 -0.28 2.37 1.57 -0.92 0.59 116.57 121.04 1xyu h LYS 204 Ca 0.29 -0.10 0.04 0.00 -1.87 0.00 0.00 60.65 59.01 1xyu h LYS 204 Cb 0.25 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.42 1xyu h LYS 204 CO -0.22 0.55 0.04 0.82 -0.57 0.00 0.00 179.45 180.08 1xyu h ILE 205 N 0.49 0.85 -0.36 1.86 1.08 -1.57 -2.42 117.51 117.44 1xyu h ILE 205 Ca 0.13 -0.05 0.04 0.00 -0.39 0.00 0.00 64.86 64.59 1xyu h ILE 205 Cb 0.18 0.70 -0.04 0.00 -3.07 0.00 0.00 36.82 34.59 1xyu h ILE 205 CO -0.01 0.03 0.12 -0.03 -0.69 0.00 0.00 178.15 177.57 1xyu h MET 206 N 0.14 0.26 -0.24 2.37 1.85 -0.74 -1.83 114.93 116.75 1xyu h MET 206 Ca 0.13 -0.02 0.05 0.00 -0.61 0.00 0.00 59.70 59.26 1xyu h MET 206 Cb 0.15 -0.06 -0.05 0.00 0.43 0.00 0.00 31.60 32.07 1xyu h MET 206 CO -0.19 0.17 -0.10 0.93 -0.40 0.00 0.00 176.91 177.33 1xyu h GLU 207 N 0.27 -0.05 -0.75 0.39 5.08 -0.54 0.98 114.58 119.95 1xyu h GLU 207 Ca 0.16 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.55 1xyu h GLU 207 Cb 0.14 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.36 1xyu h GLU 207 CO -0.17 -0.04 0.48 0.00 -1.00 0.00 0.00 179.01 178.29 1xyu h ARG 208 N -0.06 0.93 0.41 2.33 2.47 -1.33 0.20 114.38 119.33 1xyu h ARG 208 Ca 0.12 -0.06 -0.01 0.00 -1.26 0.00 0.00 59.98 58.78 1xyu h ARG 208 Cb 0.24 -0.21 -0.01 0.00 -1.65 0.00 0.00 29.97 28.34 1xyu h ARG 208 CO -0.28 0.62 -0.30 0.28 0.56 0.00 0.00 179.97 180.85 1xyu h VAL 209 N 0.96 0.38 0.00 2.04 2.07 -0.43 -2.63 116.25 118.64 1xyu h VAL 209 Ca 0.29 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.81 1xyu h VAL 209 Cb -0.04 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 30.11 1xyu h VAL 209 CO -0.09 0.00 0.00 -0.37 0.02 0.00 0.00 177.57 177.13 1xyu h VAL 210 N -0.70 0.00 0.04 2.57 -1.51 -0.65 -1.96 116.25 114.05 1xyu h VAL 210 Ca -0.04 -0.43 0.03 0.00 -1.23 0.00 0.00 66.70 65.03 1xyu h VAL 210 Cb 0.59 1.37 -0.04 0.00 -2.13 0.00 0.00 31.29 31.08 1xyu h VAL 210 CO 0.01 0.00 -0.28 -0.08 -1.23 0.00 0.00 177.57 175.99 1xyu h GLU 211 N 0.00 -0.43 -0.63 5.19 4.81 -0.59 0.28 114.58 123.21 1xyu h GLU 211 Ca 0.00 0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.18 1xyu h GLU 211 Cb 0.46 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.91 1xyu h GLU 211 CO 0.00 -0.29 0.07 1.96 -0.73 0.00 0.00 179.01 180.02 1xyu h GLN 212 N -0.45 1.07 0.00 1.92 1.08 -1.16 -1.67 115.11 115.91 1xyu h GLN 212 Ca 0.05 -0.31 -0.12 0.00 -1.45 0.00 0.00 58.65 56.83 1xyu h GLN 212 Cb 0.51 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.81 1xyu h GLN 212 CO -0.21 1.01 -0.56 0.52 -0.95 0.00 0.00 178.83 178.64 1xyu h MET 213 N 0.98 0.00 -0.54 1.46 2.86 -1.15 -1.39 114.93 117.15 1xyu h MET 213 Ca 0.19 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.71 1xyu h MET 213 Cb 0.48 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.12 1xyu h MET 213 CO 0.02 0.56 -0.12 0.00 1.06 0.00 0.00 176.91 178.42 1xyu h ILE 215 N 0.92 1.20 0.76 0.00 2.04 -0.97 -0.34 117.51 121.12 1xyu h ILE 215 Ca 0.14 -0.47 -0.04 0.00 1.00 0.00 0.00 64.86 65.49 1xyu h ILE 215 Cb 0.70 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 37.00 1xyu h ILE 215 CO 0.05 0.22 -0.40 0.74 0.00 0.00 0.00 178.15 178.76 1xyu h THR 216 N 0.98 0.18 -0.83 -0.27 2.02 -0.93 -2.72 112.91 111.34 1xyu h THR 216 Ca 0.25 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.50 1xyu h THR 216 Cb -0.02 0.18 -0.05 0.00 -1.74 0.00 0.00 68.15 66.52 1xyu h THR 216 CO -0.05 0.00 0.54 1.56 0.37 0.00 0.00 175.52 177.95 1xyu h GLN 217 N -1.07 0.87 -0.04 6.66 1.08 -0.33 0.12 115.11 122.40 1xyu h GLN 217 Ca -0.10 -0.05 0.03 0.00 -1.45 0.00 0.00 58.65 57.08 1xyu h GLN 217 Cb 0.84 -0.20 -0.04 0.00 -0.05 0.00 0.00 27.48 28.03 1xyu h GLN 217 CO 0.15 0.58 -0.20 -0.92 -0.95 0.00 0.00 178.83 177.48 1xyu h TYR 218 N 0.90 -0.53 -0.36 2.96 3.20 -1.13 -2.60 116.97 119.41 1xyu h TYR 218 Ca 0.36 0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.30 1xyu h TYR 218 Cb 0.24 0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.74 1xyu h TYR 218 CO -0.00 -0.28 0.25 1.96 -1.64 0.00 0.00 178.16 178.44 1xyu h GLN 219 N -0.30 0.27 0.59 1.82 4.20 -0.48 0.27 115.11 121.48 1xyu h GLN 219 Ca 0.07 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.74 1xyu h GLN 219 Cb 0.40 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.11 1xyu h GLN 219 CO -0.22 0.18 -0.36 0.00 -0.67 0.00 0.00 178.83 177.76 1xyu h ARG 220 N 0.28 -0.87 0.00 1.46 2.47 -0.87 0.61 114.38 117.47 1xyu h ARG 220 Ca 0.16 0.06 -0.10 0.00 -1.26 0.00 0.00 59.98 58.84 1xyu h ARG 220 Cb 0.27 0.20 -0.01 0.00 -1.65 0.00 0.00 29.97 28.78 1xyu h ARG 220 CO -0.03 -0.58 -0.45 0.93 0.56 0.00 0.00 179.97 180.39 1xyu h GLU 221 N -0.90 0.00 0.11 0.04 4.39 -1.24 -2.89 114.58 114.09 1xyu h GLU 221 Ca -0.07 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.62 1xyu h GLU 221 Cb 0.73 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.38 1xyu h GLU 221 CO 0.08 0.45 -0.05 1.03 -1.16 0.00 0.00 179.01 179.36 1xyu h SER 222 N 0.00 -0.12 -0.39 1.42 0.87 -0.27 -1.37 113.55 113.69 1xyu h SER 222 Ca -0.00 -0.07 0.08 0.00 -1.23 0.00 0.00 61.79 60.57 1xyu h SER 222 Cb 0.83 0.03 -0.08 0.00 -0.44 0.00 0.00 62.40 62.75 1xyu h SER 222 CO 0.06 -0.01 -0.11 1.56 -0.53 0.00 0.00 176.83 177.79 1xyu h GLN 223 N -0.23 -0.02 -0.72 2.24 1.08 -0.77 0.31 115.11 117.01 1xyu h GLN 223 Ca -0.01 0.00 0.11 0.00 -1.45 0.00 0.00 58.65 57.29 1xyu h GLN 223 Cb 0.18 0.00 -0.08 0.00 -0.05 0.00 0.00 27.48 27.54 1xyu h GLN 223 CO 0.02 -0.01 0.34 0.00 -0.95 0.00 0.00 178.83 178.23 1xyu h ALA 224 N 1.35 0.99 0.02 3.87 0.00 -1.30 -0.24 119.26 123.96 1xyu h ALA 224 Ca 0.19 0.07 -0.22 0.00 0.00 0.00 0.00 54.91 54.95 1xyu h ALA 224 Cb 0.31 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1xyu h ALA 224 CO -0.41 -0.09 -0.96 -0.92 0.00 0.00 0.00 179.25 176.86 1xyu h TYR 225 N 0.55 0.51 -0.37 0.00 3.20 -0.29 -3.30 116.97 117.26 1xyu h TYR 225 Ca 0.36 -0.29 -0.13 0.00 3.14 0.00 0.00 58.73 61.82 1xyu h TYR 225 Cb 0.43 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.64 1xyu h TYR 225 CO -0.12 1.12 -0.29 1.88 -1.64 0.00 0.00 178.16 179.11 1xyu h TYR 226 N 0.18 0.92 0.00 -3.82 0.05 0.09 -3.34 116.97 111.05 1xyu h TYR 226 Ca -0.08 -0.23 0.00 0.00 0.05 0.00 0.00 58.73 58.47 1xyu h TYR 226 Cb 1.61 -0.21 0.00 0.00 1.01 0.00 0.00 36.73 39.14 1xyu h TYR 226 CO 0.05 0.98 0.00 1.04 -1.05 0.00 0.00 178.16 179.18 1xyu n GLN 227 N -4.09 0.00 -3.86 4.88 6.02 -0.15 -4.85 117.38 115.34 1xyu n GLN 227 Ca -0.01 0.45 -0.31 0.00 -0.01 0.00 0.00 57.00 57.13 1xyu n GLN 227 Cb 0.47 -1.39 0.01 0.00 1.02 0.00 0.00 30.24 30.35 1xyu n GLN 227 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 1xyu n ARG 228 N -1.78 -2.02 0.00 -1.09 0.63 -1.25 -1.34 116.66 109.80 1xyu n ARG 228 Ca 0.00 0.38 0.00 0.00 -0.92 0.00 0.00 57.85 57.31 1xyu n ARG 228 Cb 0.00 -4.11 0.00 0.00 0.45 0.00 0.00 32.46 28.80 1xyu n ARG 228 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1xyu n GLY 229 N -1.88 2.10 1.46 5.14 0.00 -1.26 -4.95 105.19 105.79 1xyu n GLY 229 Ca -0.20 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.01 1xyu n GLY 229 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xyu n ALA 230 N 0.01 -3.80 -0.28 4.61 0.00 -0.45 -5.20 120.51 115.40 1xyu n ALA 230 Ca 0.00 0.67 0.00 0.00 0.00 0.00 0.00 53.44 54.11 1xyu n ALA 230 Cb 0.00 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.02 1xyu n ALA 230 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93