#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1du3 s ARG 121 N 0.00 2.23 -0.38 3.69 3.00 -1.26 -4.99 118.95 121.24 1du3 s ARG 121 Ca 0.00 1.88 0.01 0.00 0.00 0.00 0.00 55.73 57.62 1du3 s ARG 121 Cb 0.00 -1.83 0.12 0.00 0.00 0.00 0.00 34.95 33.24 1du3 s ARG 121 CO 0.00 -1.79 0.17 0.08 0.00 0.00 0.00 175.30 173.76 1du3 s VAL 122 N -1.78 1.21 0.27 3.52 1.01 -1.26 -4.25 120.40 119.13 1du3 s VAL 122 Ca 0.77 -2.05 -0.16 0.00 0.00 0.00 0.00 61.98 60.55 1du3 s VAL 122 Cb -0.32 -1.88 0.01 0.00 0.00 0.00 0.00 36.38 34.19 1du3 s VAL 122 CO 0.44 -0.79 0.59 0.00 0.00 0.00 0.00 175.10 175.34 1du3 s ALA 123 N 0.92 -0.64 -0.14 5.51 0.00 -0.81 -2.00 121.76 124.60 1du3 s ALA 123 Ca 0.14 -0.66 -0.30 0.00 0.00 0.00 0.00 51.96 51.14 1du3 s ALA 123 Cb -0.21 0.96 0.12 0.00 0.00 0.00 0.00 23.12 23.99 1du3 s ALA 123 CO -0.10 -0.94 0.95 0.00 0.00 0.00 0.00 175.76 175.67 1du3 s ALA 124 N -3.87 -1.91 -0.18 0.00 0.00 -0.05 -0.57 121.76 115.18 1du3 s ALA 124 Ca 0.18 1.54 -0.07 0.00 0.00 0.00 0.00 51.96 53.60 1du3 s ALA 124 Cb -0.03 -0.59 0.08 0.00 0.00 0.00 0.00 23.12 22.58 1du3 s ALA 124 CO 0.09 -0.32 0.40 -1.58 0.00 0.00 0.00 175.76 174.35 1du3 s HIS 125 N -1.15 -0.72 0.01 0.00 5.04 -0.76 -1.61 115.29 116.10 1du3 s HIS 125 Ca -0.03 1.42 0.04 0.00 -1.54 0.00 0.00 55.06 54.94 1du3 s HIS 125 Cb -0.00 0.26 -0.01 0.00 0.04 0.00 0.00 32.58 32.87 1du3 s HIS 125 CO 0.03 -0.44 -0.12 0.96 -2.34 0.00 0.00 174.74 172.83 1du3 s ILE 126 N 2.30 0.93 0.48 0.89 -4.36 0.11 0.20 121.20 121.75 1du3 s ILE 126 Ca -0.03 -0.68 0.06 0.00 -0.26 0.00 0.00 60.65 59.74 1du3 s ILE 126 Cb -0.11 -0.81 -0.01 0.00 1.25 0.00 0.00 42.46 42.78 1du3 s ILE 126 CO -0.12 0.13 0.25 0.42 0.24 0.00 0.00 174.94 175.86 1du3 s THR 127 N -0.52 1.91 -0.01 8.37 -4.23 -1.26 -0.98 115.64 118.93 1du3 s THR 127 Ca 0.03 -1.64 -0.30 0.00 -1.18 0.00 0.00 61.69 58.59 1du3 s THR 127 Cb -0.06 -2.55 -0.03 0.00 1.34 0.00 0.00 72.50 71.20 1du3 s THR 127 CO 0.00 0.00 1.07 -0.83 -0.54 0.00 0.00 174.62 174.32 1du3 s GLY 128 N -4.06 2.60 0.00 3.99 0.00 -0.23 -1.40 107.32 108.23 1du3 s GLY 128 Ca 0.33 0.60 0.00 0.00 0.00 0.00 0.00 44.72 45.66 1du3 s GLY 128 CO 0.19 1.87 0.00 -1.30 0.00 0.00 0.00 173.10 173.87 1du3 n THR 129 N 4.09 0.00 0.00 0.90 -2.24 -1.23 -2.02 114.28 113.78 1du3 n THR 129 Ca 0.08 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 1du3 n THR 129 Cb 0.49 -1.44 0.00 0.00 -2.10 0.00 0.00 70.33 67.28 1du3 n THR 129 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1du3 n ARG 130 N -0.45 0.00 0.00 -0.78 0.63 -1.26 -4.23 116.66 110.57 1du3 n ARG 130 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1du3 n ARG 130 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 1du3 n ARG 130 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1du3 n GLY 131 N -0.22 3.36 3.86 5.14 0.00 -1.26 -4.97 105.19 111.10 1du3 n GLY 131 Ca 0.00 -1.83 -0.32 0.00 0.00 0.00 0.00 46.02 43.87 1du3 n GLY 131 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1du3 s ARG 132 N -2.47 3.94 0.81 1.61 3.52 -1.26 -1.92 118.95 123.17 1du3 s ARG 132 Ca 0.00 0.62 -0.12 0.00 -0.13 0.00 0.00 55.73 56.10 1du3 s ARG 132 Cb 0.00 -2.41 0.08 0.00 -1.56 0.00 0.00 34.95 31.06 1du3 s ARG 132 CO 0.00 0.09 1.14 -1.12 -0.81 0.00 0.00 175.30 174.60 1du3 s SER 133 N -2.53 3.88 0.67 -2.12 0.01 -1.26 -4.93 113.70 107.41 1du3 s SER 133 Ca 0.53 2.09 -0.17 0.00 1.31 0.00 0.00 55.95 59.72 1du3 s SER 133 Cb -0.10 -2.56 -0.06 0.00 0.21 0.00 0.00 66.02 63.51 1du3 s SER 133 CO 0.21 -2.46 0.52 -3.20 0.41 0.00 0.00 173.24 168.72 1du3 n ASN 134 N -3.53 -1.17 -2.47 2.44 2.85 -1.26 -5.14 115.26 106.99 1du3 n ASN 134 Ca 0.11 0.64 -0.12 0.00 -0.11 0.00 0.00 54.58 55.10 1du3 n ASN 134 Cb 0.52 -1.20 0.03 0.00 1.24 0.00 0.00 39.78 40.38 1du3 n ASN 134 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 1du3 n THR 135 N -2.12 1.84 0.00 -0.44 -2.24 -1.26 -5.24 114.28 104.82 1du3 n THR 135 Ca 0.11 -3.58 0.00 0.00 -2.27 0.00 0.00 64.05 58.30 1du3 n THR 135 Cb 0.49 0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.82 1du3 n THR 135 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1du3 n ALA 146 N -0.61 -0.71 -1.95 6.98 0.00 -1.26 -5.33 120.51 117.63 1du3 n ALA 146 Ca 0.24 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.39 1du3 n ALA 146 Cb 0.86 -0.39 0.03 0.00 0.00 0.00 0.00 19.45 19.96 1du3 n ALA 146 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1du3 s LEU 147 N -1.99 3.13 0.00 0.00 1.43 -1.26 -4.88 118.68 115.11 1du3 s LEU 147 Ca 0.00 1.14 0.00 0.00 -1.03 0.00 0.00 54.13 54.24 1du3 s LEU 147 Cb 0.00 -4.04 0.00 0.00 0.03 0.00 0.00 46.19 42.18 1du3 s LEU 147 CO 0.00 -1.07 0.00 0.61 0.23 0.00 0.00 176.35 176.12 1du3 n GLY 148 N -2.79 0.76 2.87 -3.19 0.00 -1.26 -4.50 105.19 97.08 1du3 n GLY 148 Ca 0.06 -0.72 -0.24 0.00 0.00 0.00 0.00 46.02 45.12 1du3 n GLY 148 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1du3 s ARG 149 N 0.00 1.13 0.25 1.61 0.52 0.67 -4.75 118.95 118.38 1du3 s ARG 149 Ca 0.00 -0.13 -0.31 0.00 -0.52 0.00 0.00 55.73 54.77 1du3 s ARG 149 Cb 0.00 -1.25 -0.13 0.00 0.52 0.00 0.00 34.95 34.10 1du3 s ARG 149 CO 0.00 -0.22 1.54 1.17 0.02 0.00 0.00 175.30 177.81 1du3 n LYS 150 N 4.76 2.41 -3.15 3.54 4.81 -1.26 -1.12 118.16 128.15 1du3 n LYS 150 Ca -0.14 0.86 -0.40 0.00 -0.87 0.00 0.00 58.31 57.76 1du3 n LYS 150 Cb 0.50 -2.60 -0.07 0.00 0.02 0.00 0.00 35.03 32.89 1du3 n LYS 150 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1du3 s ILE 151 N 0.17 5.01 -0.71 3.15 1.01 0.52 -4.90 121.20 125.45 1du3 s ILE 151 Ca 0.68 1.06 0.06 0.00 0.00 0.00 0.00 60.65 62.45 1du3 s ILE 151 Cb -0.57 -3.90 0.03 0.00 0.01 0.00 0.00 42.46 38.03 1du3 s ILE 151 CO 0.46 0.05 0.63 -0.46 0.00 0.00 0.00 174.94 175.62 1du3 n ASN 152 N 5.60 1.33 -0.12 3.58 0.23 -1.26 -4.68 115.26 119.94 1du3 n ASN 152 Ca -0.02 -1.16 0.03 0.00 -0.53 0.00 0.00 54.58 52.90 1du3 n ASN 152 Cb 0.49 0.16 0.16 0.00 -2.08 0.00 0.00 39.78 38.51 1du3 n ASN 152 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1du3 n SER 153 N 0.12 0.36 -4.59 0.53 3.41 -1.26 -4.29 113.62 107.89 1du3 n SER 153 Ca 0.03 -1.86 -0.30 0.00 -0.26 0.00 0.00 58.87 56.48 1du3 n SER 153 Cb 0.15 -0.04 0.21 0.00 -0.26 0.00 0.00 64.21 64.26 1du3 n SER 153 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 1du3 s TRP 154 N -1.92 1.48 0.56 7.33 0.23 -1.26 -3.50 118.94 121.86 1du3 s TRP 154 Ca 0.11 1.54 -0.14 0.00 -2.03 0.00 0.00 56.10 55.58 1du3 s TRP 154 Cb 0.05 -3.24 -0.06 0.00 0.03 0.00 0.00 33.47 30.26 1du3 s TRP 154 CO 0.08 -3.29 1.01 -1.21 0.96 0.00 0.00 176.95 174.49 1du3 s GLU 155 N -4.56 3.76 0.00 4.98 2.02 -0.49 -4.84 118.70 119.58 1du3 s GLU 155 Ca 0.68 0.89 0.00 0.00 0.02 0.00 0.00 54.97 56.55 1du3 s GLU 155 Cb -0.24 -2.11 0.00 0.00 0.10 0.00 0.00 34.13 31.89 1du3 s GLU 155 CO 0.61 -0.43 0.25 -1.13 0.02 0.00 0.00 175.26 174.58 1du3 n SER 156 N -2.09 0.49 -4.44 -0.19 3.41 -1.26 -4.71 113.62 104.83 1du3 n SER 156 Ca 0.06 -0.95 -0.24 0.00 -0.26 0.00 0.00 58.87 57.48 1du3 n SER 156 Cb 0.54 0.03 -0.10 0.00 -0.26 0.00 0.00 64.21 64.42 1du3 n SER 156 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1du3 s SER 157 N -0.03 3.41 0.53 4.04 1.04 -1.26 -4.79 113.70 116.64 1du3 s SER 157 Ca 0.00 -0.98 -0.21 0.00 0.48 0.00 0.00 55.95 55.24 1du3 s SER 157 Cb 0.00 -0.27 -0.05 0.00 0.10 0.00 0.00 66.02 65.80 1du3 s SER 157 CO 0.00 0.04 1.26 -0.60 0.98 0.00 0.00 173.24 174.92 1du3 s ARG 158 N -3.28 3.28 0.00 4.02 3.00 -1.26 -4.62 118.95 120.09 1du3 s ARG 158 Ca 0.26 1.99 0.00 0.00 -1.00 0.00 0.00 55.73 56.98 1du3 s ARG 158 Cb -0.05 -2.22 0.00 0.00 0.00 0.00 0.00 34.95 32.68 1du3 s ARG 158 CO 0.13 -1.00 0.00 -1.13 0.00 0.00 0.00 175.30 173.29 1du3 n SER 159 N -1.01 0.00 -0.59 -2.12 3.41 -0.79 -4.96 113.62 107.55 1du3 n SER 159 Ca 0.10 -0.50 0.09 0.00 -0.26 0.00 0.00 58.87 58.30 1du3 n SER 159 Cb 0.47 0.00 0.29 0.00 -0.26 0.00 0.00 64.21 64.71 1du3 n SER 159 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1du3 n GLY 160 N 0.00 0.44 0.32 5.00 0.00 -1.26 -4.04 105.19 105.65 1du3 n GLY 160 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1du3 n GLY 160 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1du3 n HIS 161 N 0.41 0.00 -3.53 1.61 1.44 -1.26 -5.11 115.22 108.77 1du3 n HIS 161 Ca 0.14 0.00 -0.17 0.00 -2.01 0.00 0.00 57.72 55.69 1du3 n HIS 161 Cb 0.32 0.06 -0.06 0.00 0.12 0.00 0.00 29.99 30.43 1du3 n HIS 161 CO 0.00 0.00 0.00 -1.54 -2.81 0.00 0.00 176.34 171.99 1du3 s SER 162 N -0.41 -0.62 0.21 4.39 1.04 -1.26 -4.53 113.70 112.53 1du3 s SER 162 Ca 0.00 0.69 -0.20 0.00 0.48 0.00 0.00 55.95 56.92 1du3 s SER 162 Cb 0.00 0.53 0.04 0.00 0.10 0.00 0.00 66.02 66.68 1du3 s SER 162 CO 0.00 -0.56 0.61 0.72 0.98 0.00 0.00 173.24 174.99 1du3 s PHE 163 N -1.13 -0.24 -0.18 5.02 -0.71 0.13 -1.89 117.98 118.98 1du3 s PHE 163 Ca -0.09 -0.10 -0.04 0.00 -1.04 0.00 0.00 56.93 55.65 1du3 s PHE 163 Cb -0.00 0.53 0.08 0.00 -1.21 0.00 0.00 43.02 42.42 1du3 s PHE 163 CO 0.08 -1.00 0.17 -0.51 -1.34 0.00 0.00 175.22 172.62 1du3 s LEU 164 N -2.86 0.06 -0.26 -1.99 1.02 -1.26 -1.84 118.68 111.56 1du3 s LEU 164 Ca 0.08 -0.34 0.00 0.00 0.02 0.00 0.00 54.13 53.89 1du3 s LEU 164 Cb -0.03 0.14 0.04 0.00 0.02 0.00 0.00 46.19 46.37 1du3 s LEU 164 CO -0.02 -0.33 -0.08 -0.55 0.02 0.00 0.00 176.35 175.39 1du3 s SER 165 N 2.25 4.38 -1.47 2.29 0.15 0.26 -4.63 113.70 116.94 1du3 s SER 165 Ca 0.05 -1.12 -0.11 0.00 0.70 0.00 0.00 55.95 55.47 1du3 s SER 165 Cb -0.16 -1.62 0.05 0.00 -1.71 0.00 0.00 66.02 62.59 1du3 s SER 165 CO -0.11 -0.17 0.90 0.59 1.20 0.00 0.00 173.24 175.66 1du3 n ASN 166 N 4.57 -5.31 -3.49 5.45 3.02 -1.26 -1.92 115.26 116.32 1du3 n ASN 166 Ca -0.15 -0.58 -0.14 0.00 -0.03 0.00 0.00 54.58 53.67 1du3 n ASN 166 Cb 0.45 -4.24 -0.04 0.00 -0.61 0.00 0.00 39.78 35.34 1du3 n ASN 166 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1du3 s LEU 167 N -7.09 -0.43 0.06 3.41 1.02 -1.26 -4.22 118.68 110.17 1du3 s LEU 167 Ca 0.55 0.22 -0.07 0.00 0.02 0.00 0.00 54.13 54.85 1du3 s LEU 167 Cb -0.27 2.43 -0.01 0.00 0.02 0.00 0.00 46.19 48.37 1du3 s LEU 167 CO 0.68 -0.81 0.14 -1.38 0.02 0.00 0.00 176.35 175.00 1du3 s HIS 168 N -2.75 0.18 -0.07 0.29 -3.43 -1.13 -4.80 115.29 103.58 1du3 s HIS 168 Ca -0.04 -0.53 -0.07 0.00 -0.80 0.00 0.00 55.06 53.62 1du3 s HIS 168 Cb -0.01 -0.11 -0.04 0.00 -1.43 0.00 0.00 32.58 30.99 1du3 s HIS 168 CO -0.04 -0.44 0.20 -1.17 -2.00 0.00 0.00 174.74 171.29 1du3 s LEU 169 N -2.43 4.40 -0.28 5.38 2.96 -1.26 -0.00 118.68 127.44 1du3 s LEU 169 Ca -0.01 0.53 0.02 0.00 -0.22 0.00 0.00 54.13 54.45 1du3 s LEU 169 Cb 0.02 -2.29 0.16 0.00 0.50 0.00 0.00 46.19 44.58 1du3 s LEU 169 CO -0.07 0.36 0.42 -0.60 -1.32 0.00 0.00 176.35 175.14 1du3 s ARG 170 N -1.24 0.42 -0.87 1.98 6.06 -0.05 -4.89 118.95 120.36 1du3 s ARG 170 Ca 0.19 0.21 -0.05 0.00 -2.50 0.00 0.00 55.73 53.59 1du3 s ARG 170 Cb -0.13 -0.28 0.01 0.00 0.06 0.00 0.00 34.95 34.60 1du3 s ARG 170 CO 0.09 -0.98 0.75 0.09 -2.50 0.00 0.00 175.30 172.75 1du3 n ASN 171 N 5.36 -4.47 0.00 -2.12 4.13 -1.26 -2.53 115.26 114.37 1du3 n ASN 171 Ca 0.00 -0.36 0.00 0.00 1.68 0.00 0.00 54.58 55.91 1du3 n ASN 171 Cb 0.50 -3.45 0.00 0.00 -1.54 0.00 0.00 39.78 35.29 1du3 n ASN 171 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1du3 n GLY 172 N -1.43 0.43 3.27 7.41 0.00 -1.26 -4.84 105.19 108.78 1du3 n GLY 172 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 1du3 n GLY 172 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1du3 s GLU 173 N -0.42 3.01 -0.12 1.61 2.02 -1.05 -4.60 118.70 119.14 1du3 s GLU 173 Ca 0.00 -0.84 -0.29 0.00 0.02 0.00 0.00 54.97 53.86 1du3 s GLU 173 Cb 0.00 -2.35 -0.01 0.00 0.10 0.00 0.00 34.13 31.87 1du3 s GLU 173 CO 0.00 0.24 1.02 -0.51 0.02 0.00 0.00 175.26 176.03 1du3 s LEU 174 N 0.21 4.22 -0.31 1.80 1.43 -0.26 -0.87 118.68 124.90 1du3 s LEU 174 Ca -0.13 1.52 -0.12 0.00 -1.03 0.00 0.00 54.13 54.37 1du3 s LEU 174 Cb -0.16 -3.55 -0.03 0.00 0.03 0.00 0.00 46.19 42.47 1du3 s LEU 174 CO 0.07 -0.49 0.22 -0.69 0.23 0.00 0.00 176.35 175.69 1du3 s VAL 175 N 2.22 5.30 0.34 -1.59 1.01 1.00 -1.43 120.40 127.25 1du3 s VAL 175 Ca 0.48 -0.02 -0.27 0.00 0.00 0.00 0.00 61.98 62.17 1du3 s VAL 175 Cb -0.18 -3.63 -0.09 0.00 0.00 0.00 0.00 36.38 32.48 1du3 s VAL 175 CO 0.16 0.11 1.12 -0.63 0.00 0.00 0.00 175.10 175.87 1du3 s ILE 176 N 1.75 3.39 -0.11 2.22 -1.09 -1.09 -2.84 121.20 123.43 1du3 s ILE 176 Ca 0.07 1.25 0.01 0.00 -2.23 0.00 0.00 60.65 59.75 1du3 s ILE 176 Cb -0.17 -3.74 -0.07 0.00 -1.58 0.00 0.00 42.46 36.90 1du3 s ILE 176 CO 0.11 0.19 -0.09 1.41 -1.23 0.00 0.00 174.94 175.33 1du3 n HIS 177 N 0.56 0.00 -4.68 3.97 8.25 -1.26 -1.35 115.22 120.70 1du3 n HIS 177 Ca 0.02 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.14 1du3 n HIS 177 Cb 0.46 -0.42 -0.12 0.00 1.12 0.00 0.00 29.99 31.03 1du3 n HIS 177 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1du3 s GLU 178 N -2.22 2.91 0.51 -0.41 2.02 -1.26 -4.67 118.70 115.58 1du3 s GLU 178 Ca -0.14 -0.60 -0.20 0.00 0.02 0.00 0.00 54.97 54.05 1du3 s GLU 178 Cb 0.04 -2.59 -0.07 0.00 0.10 0.00 0.00 34.13 31.61 1du3 s GLU 178 CO 0.26 0.53 1.11 0.21 0.02 0.00 0.00 175.26 177.39 1du3 s LYS 179 N -0.46 3.54 0.00 1.61 2.20 -1.26 -4.70 119.74 120.66 1du3 s LYS 179 Ca 0.06 1.58 0.00 0.00 -0.36 0.00 0.00 55.97 57.26 1du3 s LYS 179 Cb -0.12 -2.10 0.00 0.00 -1.51 0.00 0.00 37.83 34.10 1du3 s LYS 179 CO 0.02 -0.69 0.00 0.41 -0.36 0.00 0.00 175.35 174.73 1du3 n GLY 180 N 0.13 -0.75 3.71 5.54 0.00 -0.88 -5.02 105.19 107.92 1du3 n GLY 180 Ca 0.10 -1.64 -0.41 0.00 0.00 0.00 0.00 46.02 44.07 1du3 n GLY 180 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1du3 s PHE 181 N -1.65 3.60 -0.12 1.61 0.08 -1.26 -1.88 117.98 118.35 1du3 s PHE 181 Ca 0.00 1.46 0.02 0.00 0.12 0.00 0.00 56.93 58.53 1du3 s PHE 181 Cb 0.00 -2.97 0.01 0.00 -0.57 0.00 0.00 43.02 39.49 1du3 s PHE 181 CO 0.00 0.01 -0.19 0.71 -0.10 0.00 0.00 175.22 175.64 1du3 s TYR 182 N 1.05 2.37 -0.27 0.36 2.02 -0.29 -0.31 117.35 122.28 1du3 s TYR 182 Ca 0.44 -1.14 -0.25 0.00 -0.37 0.00 0.00 57.07 55.75 1du3 s TYR 182 Cb -0.19 -1.64 0.00 0.00 -0.40 0.00 0.00 41.96 39.73 1du3 s TYR 182 CO 0.22 -0.54 0.88 -0.47 -1.57 0.00 0.00 175.55 174.07 1du3 s TYR 183 N 0.84 3.26 -0.10 2.71 5.04 0.95 -1.78 117.35 128.28 1du3 s TYR 183 Ca -0.08 1.10 0.00 0.00 -2.44 0.00 0.00 57.07 55.65 1du3 s TYR 183 Cb -0.15 -3.21 -0.02 0.00 0.35 0.00 0.00 41.96 38.92 1du3 s TYR 183 CO -0.01 -0.50 -0.10 0.42 -1.34 0.00 0.00 175.55 174.02 1du3 s ILE 184 N 3.03 3.42 0.10 3.14 1.01 0.87 -1.29 121.20 131.48 1du3 s ILE 184 Ca 0.37 -0.56 -0.09 0.00 0.00 0.00 0.00 60.65 60.37 1du3 s ILE 184 Cb -0.14 -2.42 0.00 0.00 0.01 0.00 0.00 42.46 39.91 1du3 s ILE 184 CO 0.10 0.56 0.21 -0.72 0.00 0.00 0.00 174.94 175.08 1du3 s TYR 185 N -0.25 0.14 -0.14 3.97 -0.85 -0.16 -1.11 117.35 118.95 1du3 s TYR 185 Ca 0.02 -0.56 -0.28 0.00 -0.52 0.00 0.00 57.07 55.74 1du3 s TYR 185 Cb -0.13 -0.04 0.07 0.00 0.38 0.00 0.00 41.96 42.24 1du3 s TYR 185 CO 0.03 -0.56 0.68 0.45 -1.52 0.00 0.00 175.55 174.62 1du3 s SER 186 N -2.86 -0.68 0.01 -0.18 0.15 -0.70 -1.94 113.70 107.50 1du3 s SER 186 Ca 0.05 0.99 0.06 0.00 0.70 0.00 0.00 55.95 57.75 1du3 s SER 186 Cb 0.05 0.91 -0.02 0.00 -1.71 0.00 0.00 66.02 65.24 1du3 s SER 186 CO -0.11 -0.45 -0.18 -1.58 1.20 0.00 0.00 173.24 172.13 1du3 s GLN 187 N -0.55 1.34 -0.06 5.44 0.74 -0.75 -2.45 119.66 123.38 1du3 s GLN 187 Ca -0.07 -0.70 -0.02 0.00 0.05 0.00 0.00 55.36 54.62 1du3 s GLN 187 Cb -0.02 -1.33 0.04 0.00 1.10 0.00 0.00 33.01 32.79 1du3 s GLN 187 CO 0.06 0.36 0.10 0.95 -0.55 0.00 0.00 175.29 176.21 1du3 s THR 188 N -0.54 -0.16 -0.38 -0.34 -4.23 -0.08 -1.39 115.64 108.51 1du3 s THR 188 Ca 0.06 0.37 -0.22 0.00 -1.18 0.00 0.00 61.69 60.73 1du3 s THR 188 Cb -0.07 -0.20 0.01 0.00 1.34 0.00 0.00 72.50 73.58 1du3 s THR 188 CO 0.00 0.16 0.71 -0.47 -0.54 0.00 0.00 174.62 174.48 1du3 s TYR 189 N 2.07 3.10 -0.36 3.99 5.04 -1.24 -1.90 117.35 128.06 1du3 s TYR 189 Ca 0.02 0.34 -0.17 0.00 -2.44 0.00 0.00 57.07 54.82 1du3 s TYR 189 Cb -0.12 -3.34 -0.00 0.00 0.35 0.00 0.00 41.96 38.85 1du3 s TYR 189 CO -0.04 -0.75 0.45 -0.06 -1.34 0.00 0.00 175.55 173.81 1du3 s PHE 190 N 2.95 3.19 -0.23 4.97 0.40 -0.49 0.40 117.98 129.16 1du3 s PHE 190 Ca 0.27 0.04 -0.04 0.00 -0.60 0.00 0.00 56.93 56.60 1du3 s PHE 190 Cb -0.14 -2.84 0.08 0.00 0.51 0.00 0.00 43.02 40.63 1du3 s PHE 190 CO 0.17 -0.52 0.09 0.50 0.70 0.00 0.00 175.22 176.16 1du3 s ARG 191 N 2.23 0.34 0.10 0.44 3.52 -0.25 0.25 118.95 125.58 1du3 s ARG 191 Ca 0.15 -0.43 0.06 0.00 -0.13 0.00 0.00 55.73 55.38 1du3 s ARG 191 Cb -0.16 -1.73 -0.03 0.00 -1.56 0.00 0.00 34.95 31.47 1du3 s ARG 191 CO 0.13 -0.81 -0.15 -0.59 -0.81 0.00 0.00 175.30 173.07 1du3 s PHE 192 N 1.99 1.38 -0.46 5.12 -0.12 -0.42 -4.80 117.98 120.67 1du3 s PHE 192 Ca 0.04 -0.50 0.04 0.00 -0.05 0.00 0.00 56.93 56.45 1du3 s PHE 192 Cb -0.16 -0.74 0.51 0.00 -0.63 0.00 0.00 43.02 41.99 1du3 s PHE 192 CO -0.19 0.12 1.70 0.94 -0.05 0.00 0.00 175.22 177.74 1du3 n GLN 193 N 0.87 2.57 -1.60 1.99 7.27 -1.26 0.24 117.38 127.46 1du3 n GLN 193 Ca -0.18 -3.39 -0.52 0.00 0.07 0.00 0.00 57.00 52.98 1du3 n GLN 193 Cb 0.56 -2.15 -0.06 0.00 2.41 0.00 0.00 30.24 31.00 1du3 n GLN 193 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 1du3 n GLU 194 N -0.98 1.23 -4.03 3.69 -0.58 -1.25 -4.68 120.64 114.04 1du3 n GLU 194 Ca 0.51 0.44 -0.35 0.00 -0.42 0.00 0.00 57.16 57.34 1du3 n GLU 194 Cb 1.02 -2.10 -0.09 0.00 -0.57 0.00 0.00 31.44 29.70 1du3 n GLU 194 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 1du3 s GLU 195 N 0.67 3.67 -0.23 3.49 4.04 -1.26 -4.27 118.70 124.80 1du3 s GLU 195 Ca 0.85 -0.29 -0.28 0.00 0.04 0.00 0.00 54.97 55.28 1du3 s GLU 195 Cb -0.94 -3.14 -0.04 0.00 0.02 0.00 0.00 34.13 30.03 1du3 s GLU 195 CO 0.47 0.49 2.06 0.96 -1.84 0.00 0.00 175.26 177.40 1du3 s ILE 196 N -0.23 3.17 0.02 1.83 -5.25 -1.26 -4.98 121.20 114.49 1du3 s ILE 196 Ca 0.08 0.17 -0.23 0.00 -0.99 0.00 0.00 60.65 59.69 1du3 s ILE 196 Cb -0.12 -3.21 -0.05 0.00 2.95 0.00 0.00 42.46 42.02 1du3 s ILE 196 CO 0.01 -0.13 0.69 -0.54 -1.79 0.00 0.00 174.94 173.19 1du3 s LYS 197 N 5.96 4.42 0.03 0.37 1.02 -1.26 -5.01 119.74 125.27 1du3 s LYS 197 Ca 0.93 0.92 -0.15 0.00 0.02 0.00 0.00 55.97 57.69 1du3 s LYS 197 Cb -0.30 -3.36 -0.08 0.00 -0.52 0.00 0.00 37.83 33.57 1du3 s LYS 197 CO 0.35 0.31 1.23 0.93 -0.92 0.00 0.00 175.35 177.25 1du3 h GLU 198 N 5.69 -0.46 -3.76 1.68 3.07 -2.03 -3.36 114.58 115.41 1du3 h GLU 198 Ca -0.44 0.03 -0.76 0.00 -0.50 0.00 0.00 59.36 57.68 1du3 h GLU 198 Cb 1.20 0.10 -0.19 0.00 -0.84 0.00 0.00 28.75 29.02 1du3 h GLU 198 CO 0.70 -0.31 1.47 0.27 -1.40 0.00 0.00 179.01 179.75 1du3 n ASN 199 N -3.54 5.40 0.00 1.42 0.23 -1.26 -4.91 115.26 112.60 1du3 n ASN 199 Ca -0.06 -3.12 0.00 0.00 -0.53 0.00 0.00 54.58 50.87 1du3 n ASN 199 Cb 0.20 -1.46 0.00 0.00 -2.08 0.00 0.00 39.78 36.44 1du3 n ASN 199 CO 0.00 0.00 0.00 1.07 -0.93 0.00 0.00 177.26 177.40 1du3 n THR 200 N 3.27 0.00 -2.94 5.53 5.66 -1.26 -5.14 114.28 119.40 1du3 n THR 200 Ca 0.35 0.00 -0.40 0.00 -3.05 0.00 0.00 64.05 60.95 1du3 n THR 200 Cb 0.38 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.11 1du3 n THR 200 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1du3 s LYS 201 N -2.00 4.54 0.00 1.09 1.02 -1.26 -4.77 119.74 118.36 1du3 s LYS 201 Ca 0.00 1.14 0.12 0.00 0.02 0.00 0.00 55.97 57.25 1du3 s LYS 201 Cb 0.00 -3.35 0.11 0.00 -0.52 0.00 0.00 37.83 34.08 1du3 s LYS 201 CO 0.00 0.33 0.92 0.09 -0.92 0.00 0.00 175.35 175.77 1du3 n ASN 202 N 2.56 2.09 -4.77 2.83 3.02 -1.26 -5.00 115.26 114.74 1du3 n ASN 202 Ca -0.02 -1.55 -0.41 0.00 -0.03 0.00 0.00 54.58 52.57 1du3 n ASN 202 Cb 0.50 -0.01 -0.03 0.00 -0.61 0.00 0.00 39.78 39.63 1du3 n ASN 202 CO 0.00 0.00 0.00 1.51 -2.62 0.00 0.00 177.26 176.15 1du3 s ASP 203 N -1.03 6.91 0.07 6.41 -4.77 -1.26 -4.99 116.67 118.00 1du3 s ASP 203 Ca 0.15 2.57 0.10 0.00 -3.30 0.00 0.00 52.55 52.07 1du3 s ASP 203 Cb 0.11 -2.64 -0.03 0.00 -1.09 0.00 0.00 42.92 39.26 1du3 s ASP 203 CO 0.16 -0.43 -0.26 -0.54 0.70 0.00 0.00 175.17 174.80 1du3 s LYS 204 N -1.65 1.60 -0.31 2.11 1.02 -1.26 -5.01 119.74 116.23 1du3 s LYS 204 Ca 0.48 -1.17 0.04 0.00 0.02 0.00 0.00 55.97 55.33 1du3 s LYS 204 Cb -0.38 -1.87 0.09 0.00 -0.52 0.00 0.00 37.83 35.15 1du3 s LYS 204 CO 0.49 0.47 -0.01 -0.65 -0.92 0.00 0.00 175.35 174.74 1du3 s GLN 205 N -1.52 1.74 -0.26 1.68 -0.21 -1.26 -2.87 119.66 116.97 1du3 s GLN 205 Ca 0.12 -1.67 -0.16 0.00 0.02 0.00 0.00 55.36 53.66 1du3 s GLN 205 Cb -0.10 -3.08 -0.03 0.00 1.00 0.00 0.00 33.01 30.80 1du3 s GLN 205 CO 0.03 -0.80 0.44 -1.64 -2.12 0.00 0.00 175.29 171.20 1du3 s MET 206 N 0.98 4.06 -0.01 2.91 -1.94 -0.75 -4.63 119.30 119.92 1du3 s MET 206 Ca 0.04 0.18 0.01 0.00 -1.71 0.00 0.00 55.69 54.21 1du3 s MET 206 Cb -0.19 -3.64 0.00 0.00 2.01 0.00 0.00 34.83 33.01 1du3 s MET 206 CO -0.07 -0.28 -0.03 0.08 -0.01 0.00 0.00 175.02 174.71 1du3 s VAL 207 N 2.09 0.22 -0.16 -6.03 1.01 -1.26 -0.79 120.40 115.47 1du3 s VAL 207 Ca 0.18 -0.10 -0.01 0.00 0.00 0.00 0.00 61.98 62.05 1du3 s VAL 207 Cb -0.16 -0.20 -0.01 0.00 0.00 0.00 0.00 36.38 36.01 1du3 s VAL 207 CO 0.09 0.07 -0.12 -1.58 0.00 0.00 0.00 175.10 173.57 1du3 s GLN 208 N 0.05 3.32 -0.09 2.72 0.74 -0.62 -2.44 119.66 123.34 1du3 s GLN 208 Ca -0.00 -0.69 0.02 0.00 0.05 0.00 0.00 55.36 54.74 1du3 s GLN 208 Cb -0.03 -2.73 -0.02 0.00 1.10 0.00 0.00 33.01 31.33 1du3 s GLN 208 CO -0.00 0.02 -0.14 0.71 -0.55 0.00 0.00 175.29 175.33 1du3 s TYR 209 N 0.84 2.74 -0.30 1.67 2.02 0.07 -2.29 117.35 122.11 1du3 s TYR 209 Ca -0.04 -0.40 -0.03 0.00 -0.37 0.00 0.00 57.07 56.23 1du3 s TYR 209 Cb -0.15 -1.72 0.04 0.00 -0.40 0.00 0.00 41.96 39.73 1du3 s TYR 209 CO 0.00 -0.01 0.02 0.42 -1.57 0.00 0.00 175.55 174.41 1du3 s ILE 210 N -0.22 3.19 0.34 2.71 1.01 -0.49 -0.41 121.20 127.33 1du3 s ILE 210 Ca 0.01 -1.24 0.07 0.00 0.00 0.00 0.00 60.65 59.49 1du3 s ILE 210 Cb -0.13 -2.79 -0.02 0.00 0.01 0.00 0.00 42.46 39.53 1du3 s ILE 210 CO 0.03 -0.07 0.33 -0.31 0.00 0.00 0.00 174.94 174.92 1du3 s TYR 211 N 1.31 2.94 0.07 3.97 2.02 -0.33 0.33 117.35 127.66 1du3 s TYR 211 Ca -0.03 -0.29 0.03 0.00 -0.37 0.00 0.00 57.07 56.41 1du3 s TYR 211 Cb -0.19 -1.84 -0.03 0.00 -0.40 0.00 0.00 41.96 39.50 1du3 s TYR 211 CO -0.01 0.14 -0.09 0.21 -1.57 0.00 0.00 175.55 174.23 1du3 s LYS 212 N -4.03 0.68 -0.39 -0.62 2.20 -0.09 -1.08 119.74 116.41 1du3 s LYS 212 Ca 0.42 -0.94 0.03 0.00 -0.36 0.00 0.00 55.97 55.11 1du3 s LYS 212 Cb -0.06 -0.43 0.11 0.00 -1.51 0.00 0.00 37.83 35.93 1du3 s LYS 212 CO 0.27 0.07 0.14 0.71 -0.36 0.00 0.00 175.35 176.19 1du3 s TYR 213 N -1.83 2.93 0.48 4.03 2.02 0.32 -1.02 117.35 124.28 1du3 s TYR 213 Ca -0.03 -2.70 0.07 0.00 -0.37 0.00 0.00 57.07 54.03 1du3 s TYR 213 Cb -0.07 -2.50 0.08 0.00 -0.40 0.00 0.00 41.96 39.08 1du3 s TYR 213 CO 0.00 -0.86 0.66 -2.37 -1.57 0.00 0.00 175.55 171.42 1du3 n THR 214 N 3.99 0.00 -0.82 -0.71 5.66 -1.26 -1.74 114.28 119.39 1du3 n THR 214 Ca 0.04 -1.50 -0.44 0.00 -3.05 0.00 0.00 64.05 59.10 1du3 n THR 214 Cb 0.38 -0.67 -0.09 0.00 -1.55 0.00 0.00 70.33 68.40 1du3 n THR 214 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1du3 n SER 215 N -2.54 1.74 -3.60 1.09 3.41 -1.26 -4.61 113.62 107.85 1du3 n SER 215 Ca 0.13 -2.59 -0.03 0.00 -0.26 0.00 0.00 58.87 56.13 1du3 n SER 215 Cb 0.48 -0.81 -0.06 0.00 -0.26 0.00 0.00 64.21 63.56 1du3 n SER 215 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1du3 s TYR 216 N 6.09 -0.77 0.17 7.33 5.04 -1.26 -5.09 117.35 128.86 1du3 s TYR 216 Ca 0.63 1.49 -0.12 0.00 -2.44 0.00 0.00 57.07 56.63 1du3 s TYR 216 Cb 0.15 0.46 0.18 0.00 0.35 0.00 0.00 41.96 43.10 1du3 s TYR 216 CO 0.24 -0.38 1.11 -2.30 -1.34 0.00 0.00 175.55 172.87 1du3 n PRO 217 N 4.21 -0.17 -3.34 4.97 -0.02 -1.26 -4.69 135.00 134.71 1du3 n PRO 217 Ca -0.17 1.10 -0.30 0.00 -2.02 0.00 0.00 63.50 62.12 1du3 n PRO 217 Cb 0.56 -1.64 -0.04 0.00 -0.02 0.00 0.00 33.50 32.37 1du3 n PRO 217 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1du3 s ASP 218 N -5.26 6.50 0.10 2.55 1.01 -1.26 -5.06 116.67 115.26 1du3 s ASP 218 Ca -0.10 0.80 -0.30 0.00 0.71 0.00 0.00 52.55 53.66 1du3 s ASP 218 Cb 0.15 -2.18 -0.06 0.00 1.01 0.00 0.00 42.92 41.84 1du3 s ASP 218 CO 0.51 -0.17 1.16 -2.16 0.21 0.00 0.00 175.17 174.72 1du3 s PRO 219 N -3.32 4.49 -0.24 8.23 0.04 -1.26 -4.74 135.00 138.20 1du3 s PRO 219 Ca 0.45 1.74 -0.10 0.00 0.04 0.00 0.00 61.00 63.14 1du3 s PRO 219 Cb -0.11 -3.32 -0.05 0.00 0.04 0.00 0.00 34.50 31.06 1du3 s PRO 219 CO 0.27 -0.13 0.14 0.42 0.04 0.00 0.00 177.00 177.74 1du3 s ILE 220 N 0.57 5.11 0.34 0.56 1.01 -0.19 -4.83 121.20 123.78 1du3 s ILE 220 Ca 0.55 0.09 -0.29 0.00 0.00 0.00 0.00 60.65 61.01 1du3 s ILE 220 Cb -0.29 -3.38 -0.11 0.00 0.01 0.00 0.00 42.46 38.69 1du3 s ILE 220 CO 0.31 0.34 1.39 -0.22 0.00 0.00 0.00 174.94 176.76 1du3 s LEU 221 N 1.18 4.38 -0.20 2.97 2.96 -1.26 -0.91 118.68 127.79 1du3 s LEU 221 Ca 0.07 2.83 -0.07 0.00 -0.22 0.00 0.00 54.13 56.73 1du3 s LEU 221 Cb -0.14 -3.65 -0.10 0.00 0.50 0.00 0.00 46.19 42.80 1du3 s LEU 221 CO 0.05 -0.68 -0.24 0.18 -1.32 0.00 0.00 176.35 174.35 1du3 n LEU 222 N 0.77 1.83 -3.46 -0.68 4.77 0.15 -4.88 117.00 115.51 1du3 n LEU 222 Ca 0.01 0.16 -0.14 0.00 -0.03 0.00 0.00 56.01 56.00 1du3 n LEU 222 Cb 0.41 -0.62 -0.04 0.00 -2.33 0.00 0.00 43.42 40.84 1du3 n LEU 222 CO 0.61 0.53 0.42 -0.04 -1.33 0.00 0.00 177.39 177.58 1du3 s MET 223 N -2.38 1.18 -0.01 3.23 -1.94 -1.15 -5.00 119.30 113.23 1du3 s MET 223 Ca -0.28 -0.18 -0.03 0.00 -1.71 0.00 0.00 55.69 53.49 1du3 s MET 223 Cb 0.10 0.55 0.00 0.00 2.01 0.00 0.00 34.83 37.49 1du3 s MET 223 CO 0.38 -0.46 0.07 -1.59 -0.01 0.00 0.00 175.02 173.41 1du3 s LYS 224 N -2.72 0.22 -0.01 2.03 -2.85 -1.26 -1.39 119.74 113.76 1du3 s LYS 224 Ca -0.04 -0.14 0.02 0.00 -1.00 0.00 0.00 55.97 54.82 1du3 s LYS 224 Cb -0.01 0.09 -0.00 0.00 -2.06 0.00 0.00 37.83 35.85 1du3 s LYS 224 CO -0.04 -0.04 -0.07 0.45 0.10 0.00 0.00 175.35 175.75 1du3 s SER 225 N -0.55 0.82 0.03 0.03 0.15 -0.97 -4.99 113.70 108.21 1du3 s SER 225 Ca -0.06 -0.13 -0.04 0.00 0.70 0.00 0.00 55.95 56.42 1du3 s SER 225 Cb -0.04 -0.10 -0.01 0.00 -1.71 0.00 0.00 66.02 64.16 1du3 s SER 225 CO 0.00 0.08 0.06 0.00 1.20 0.00 0.00 173.24 174.59 1du3 s ALA 226 N -0.14 -0.02 0.19 5.45 0.00 -1.26 -1.59 121.76 124.38 1du3 s ALA 226 Ca 0.02 -0.53 -0.01 0.00 0.00 0.00 0.00 51.96 51.44 1du3 s ALA 226 Cb -0.03 0.20 -0.04 0.00 0.00 0.00 0.00 23.12 23.25 1du3 s ALA 226 CO -0.00 -0.26 0.12 1.03 0.00 0.00 0.00 175.76 176.65 1du3 s ARG 227 N -2.18 1.15 -0.03 0.00 1.81 0.03 -5.01 118.95 114.70 1du3 s ARG 227 Ca -0.09 -1.59 0.02 0.00 -1.72 0.00 0.00 55.73 52.35 1du3 s ARG 227 Cb -0.04 0.27 0.01 0.00 -0.45 0.00 0.00 34.95 34.74 1du3 s ARG 227 CO -0.03 -0.37 -0.06 0.54 -0.68 0.00 0.00 175.30 174.70 1du3 s ASN 228 N -3.13 1.00 1.20 0.23 2.20 -1.26 -1.82 114.94 113.35 1du3 s ASN 228 Ca 0.36 -0.15 -0.13 0.00 -0.94 0.00 0.00 52.86 52.00 1du3 s ASN 228 Cb 0.07 -0.37 0.30 0.00 -2.00 0.00 0.00 41.25 39.25 1du3 s ASN 228 CO 0.10 0.00 1.02 -0.94 -2.94 0.00 0.00 177.10 174.34 1du3 s SER 229 N 0.52 0.70 0.43 3.54 1.04 -1.14 -4.93 113.70 113.87 1du3 s SER 229 Ca -0.07 1.49 -0.24 0.00 0.48 0.00 0.00 55.95 57.60 1du3 s SER 229 Cb -0.11 -2.31 -0.08 0.00 0.10 0.00 0.00 66.02 63.63 1du3 s SER 229 CO 0.00 -4.37 1.17 0.00 0.98 0.00 0.00 173.24 171.02 1du3 n TRP 231 N -0.22 0.28 -2.27 0.00 7.02 -1.26 -4.91 117.44 116.08 1du3 n TRP 231 Ca 0.06 -0.14 -0.42 0.00 -1.02 0.00 0.00 57.50 55.98 1du3 n TRP 231 Cb 0.47 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.33 1du3 n TRP 231 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 1du3 s SER 232 N -1.52 6.94 0.00 -0.99 0.15 -1.26 -4.86 113.70 112.16 1du3 s SER 232 Ca 0.33 2.27 0.12 0.00 0.70 0.00 0.00 55.95 59.37 1du3 s SER 232 Cb 0.18 -2.60 0.56 0.00 -1.71 0.00 0.00 66.02 62.46 1du3 s SER 232 CO 0.27 -0.53 1.36 2.29 1.20 0.00 0.00 173.24 177.82 1du3 n LYS 233 N 3.31 0.07 -0.41 5.44 2.85 -1.26 -1.67 118.16 126.50 1du3 n LYS 233 Ca 0.08 0.24 0.11 0.00 -1.05 0.00 0.00 58.31 57.70 1du3 n LYS 233 Cb 0.44 -1.50 0.33 0.00 -0.65 0.00 0.00 35.03 33.64 1du3 n LYS 233 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1du3 n ASP 234 N -1.41 4.02 -4.71 -5.58 8.00 -1.26 -4.89 116.55 110.72 1du3 n ASP 234 Ca 0.04 -2.07 -0.42 0.00 0.71 0.00 0.00 54.79 53.05 1du3 n ASP 234 Cb 0.12 -0.50 -0.03 0.00 -0.02 0.00 0.00 41.12 40.69 1du3 n ASP 234 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1du3 s ALA 235 N -1.15 3.52 -0.10 2.24 0.00 -0.67 -4.88 121.76 120.72 1du3 s ALA 235 Ca 0.49 0.99 0.17 0.00 0.00 0.00 0.00 51.96 53.61 1du3 s ALA 235 Cb 0.26 -3.52 -0.26 0.00 0.00 0.00 0.00 23.12 19.61 1du3 s ALA 235 CO 0.32 -0.61 0.23 0.39 0.00 0.00 0.00 175.76 176.09 1du3 n GLU 236 N 4.19 0.86 -3.74 0.00 1.02 -1.26 -4.71 120.64 117.01 1du3 n GLU 236 Ca 0.11 -0.09 -0.01 0.00 -0.02 0.00 0.00 57.16 57.15 1du3 n GLU 236 Cb 0.44 -1.45 -0.00 0.00 -0.02 0.00 0.00 31.44 30.40 1du3 n GLU 236 CO 0.00 0.00 0.00 1.52 1.18 0.00 0.00 177.13 179.83 1du3 s TYR 237 N -2.85 -0.06 -0.03 -0.32 -0.85 -1.26 -3.90 117.35 108.08 1du3 s TYR 237 Ca -0.08 -0.17 -0.07 0.00 -0.52 0.00 0.00 57.07 56.22 1du3 s TYR 237 Cb 0.09 0.61 0.01 0.00 0.38 0.00 0.00 41.96 43.05 1du3 s TYR 237 CO 0.76 -0.61 0.17 0.20 -1.52 0.00 0.00 175.55 174.54 1du3 s GLY 238 N -3.06 -0.04 -0.14 5.49 0.00 0.14 -4.92 107.32 104.79 1du3 s GLY 238 Ca 0.15 0.15 -0.02 0.00 0.00 0.00 0.00 44.72 45.00 1du3 s GLY 238 CO 0.00 0.03 0.01 1.08 0.00 0.00 0.00 173.10 174.22 1du3 s LEU 239 N -0.82 0.96 -0.32 0.66 1.43 -1.25 -1.31 118.68 118.03 1du3 s LEU 239 Ca -0.09 -0.48 -0.02 0.00 -1.03 0.00 0.00 54.13 52.51 1du3 s LEU 239 Cb -0.05 -0.56 0.11 0.00 0.03 0.00 0.00 46.19 45.72 1du3 s LEU 239 CO 0.01 -0.24 0.16 -0.31 0.23 0.00 0.00 176.35 176.19 1du3 s TYR 240 N 1.89 0.73 0.05 0.29 1.51 0.14 -4.98 117.35 116.97 1du3 s TYR 240 Ca 0.02 -1.32 -0.23 0.00 -1.01 0.00 0.00 57.07 54.53 1du3 s TYR 240 Cb -0.15 -1.08 -0.06 0.00 -0.11 0.00 0.00 41.96 40.57 1du3 s TYR 240 CO -0.07 -0.83 0.70 -1.12 -1.11 0.00 0.00 175.55 173.12 1du3 s SER 241 N 1.62 7.16 -0.11 2.29 0.01 -1.26 -1.39 113.70 122.01 1du3 s SER 241 Ca 0.12 1.38 0.03 0.00 1.31 0.00 0.00 55.95 58.79 1du3 s SER 241 Cb -0.19 -2.43 0.01 0.00 0.21 0.00 0.00 66.02 63.62 1du3 s SER 241 CO -0.22 0.08 -0.19 -0.63 0.41 0.00 0.00 173.24 172.69 1du3 s ILE 242 N -0.30 1.78 0.04 1.44 1.01 -0.80 -4.96 121.20 119.42 1du3 s ILE 242 Ca 0.35 -0.83 0.06 0.00 0.00 0.00 0.00 60.65 60.24 1du3 s ILE 242 Cb -0.20 -1.58 -0.02 0.00 0.01 0.00 0.00 42.46 40.66 1du3 s ILE 242 CO 0.21 0.50 -0.18 -0.47 0.00 0.00 0.00 174.94 175.00 1du3 s TYR 243 N 0.73 1.60 0.06 3.97 6.14 -1.26 -0.91 117.35 127.69 1du3 s TYR 243 Ca -0.11 -0.37 -0.27 0.00 0.64 0.00 0.00 57.07 56.97 1du3 s TYR 243 Cb -0.16 -0.95 0.07 0.00 0.42 0.00 0.00 41.96 41.35 1du3 s TYR 243 CO 0.02 0.07 0.67 1.14 0.64 0.00 0.00 175.55 178.09 1du3 s GLN 244 N -1.18 1.14 0.14 4.97 -2.07 -1.03 -5.02 119.66 116.62 1du3 s GLN 244 Ca 0.05 -0.18 -0.24 0.00 -1.82 0.00 0.00 55.36 53.17 1du3 s GLN 244 Cb -0.08 0.53 0.07 0.00 -1.09 0.00 0.00 33.01 32.43 1du3 s GLN 244 CO 0.02 -0.45 0.73 0.20 -1.32 0.00 0.00 175.29 174.47 1du3 s GLY 245 N -2.12 -0.44 -0.14 2.60 0.00 -1.26 -1.72 107.32 104.24 1du3 s GLY 245 Ca -0.03 0.43 -0.34 0.00 0.00 0.00 0.00 44.72 44.78 1du3 s GLY 245 CO -0.04 0.14 1.38 -0.32 0.00 0.00 0.00 173.10 174.26 1du3 s GLY 246 N -2.74 -0.39 -0.15 0.20 0.00 -0.27 -4.95 107.32 99.03 1du3 s GLY 246 Ca 0.05 1.20 -0.06 0.00 0.00 0.00 0.00 44.72 45.91 1du3 s GLY 246 CO -0.07 0.31 0.06 -0.42 0.00 0.00 0.00 173.10 172.99 1du3 s ILE 247 N -2.14 4.81 -0.01 0.90 1.01 -1.26 -0.09 121.20 124.43 1du3 s ILE 247 Ca 0.14 -0.04 -0.03 0.00 0.00 0.00 0.00 60.65 60.71 1du3 s ILE 247 Cb 0.04 -3.12 0.00 0.00 0.01 0.00 0.00 42.46 39.40 1du3 s ILE 247 CO -0.05 0.53 0.08 -0.36 0.00 0.00 0.00 174.94 175.14 1du3 s PHE 248 N -0.23 0.00 -0.16 3.97 0.40 -0.73 -4.91 117.98 116.32 1du3 s PHE 248 Ca 0.08 0.00 -0.27 0.00 -0.60 0.00 0.00 56.93 56.14 1du3 s PHE 248 Cb -0.12 -0.03 -0.01 0.00 0.51 0.00 0.00 43.02 43.37 1du3 s PHE 248 CO 0.01 -0.13 0.92 -2.00 0.70 0.00 0.00 175.22 174.72 1du3 s GLU 249 N -0.58 4.33 0.11 0.44 2.12 -1.26 -1.13 118.70 122.73 1du3 s GLU 249 Ca -0.07 1.19 0.09 0.00 0.36 0.00 0.00 54.97 56.54 1du3 s GLU 249 Cb -0.04 -3.58 -0.04 0.00 0.26 0.00 0.00 34.13 30.74 1du3 s GLU 249 CO 0.00 -0.37 -0.22 -0.51 -0.54 0.00 0.00 175.26 173.62 1du3 s LEU 250 N 2.28 2.32 0.28 2.70 1.43 -0.79 -5.00 118.68 121.90 1du3 s LEU 250 Ca 0.42 -0.71 0.07 0.00 -1.03 0.00 0.00 54.13 52.88 1du3 s LEU 250 Cb -0.17 -0.95 -0.03 0.00 0.03 0.00 0.00 46.19 45.07 1du3 s LEU 250 CO 0.13 0.08 0.24 -1.59 0.23 0.00 0.00 176.35 175.43 1du3 s LYS 251 N -2.01 2.86 0.56 1.70 -2.85 -1.26 -2.07 119.74 116.68 1du3 s LYS 251 Ca 0.09 -1.14 -0.19 0.00 -1.00 0.00 0.00 55.97 53.73 1du3 s LYS 251 Cb -0.10 -2.54 -0.08 0.00 -2.06 0.00 0.00 37.83 33.05 1du3 s LYS 251 CO 0.05 0.28 0.67 -1.91 0.10 0.00 0.00 175.35 174.54 1du3 n GLU 252 N -1.26 0.66 -0.29 1.78 2.13 -1.26 -1.30 120.64 121.10 1du3 n GLU 252 Ca -0.05 0.25 0.00 0.00 0.66 0.00 0.00 57.16 58.02 1du3 n GLU 252 Cb 0.59 -1.84 0.00 0.00 0.27 0.00 0.00 31.44 30.46 1du3 n GLU 252 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1du3 n ASN 253 N 0.17 0.00 -4.18 4.31 3.02 -0.46 -4.96 115.26 113.16 1du3 n ASN 253 Ca 0.12 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.38 1du3 n ASN 253 Cb 0.47 -1.23 0.27 0.00 -0.61 0.00 0.00 39.78 38.68 1du3 n ASN 253 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1du3 n ASP 254 N 0.00 -2.45 -3.73 6.41 8.00 -0.42 -4.73 116.55 119.63 1du3 n ASP 254 Ca 0.00 -0.36 -0.12 0.00 0.71 0.00 0.00 54.79 55.03 1du3 n ASP 254 Cb 0.00 -1.17 -0.11 0.00 -0.02 0.00 0.00 41.12 39.82 1du3 n ASP 254 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1du3 s ARG 255 N -4.44 0.34 0.12 -1.24 0.52 -0.71 -2.68 118.95 110.85 1du3 s ARG 255 Ca 0.67 0.60 0.10 0.00 -0.52 0.00 0.00 55.73 56.58 1du3 s ARG 255 Cb -0.22 0.03 -0.04 0.00 0.52 0.00 0.00 34.95 35.25 1du3 s ARG 255 CO 0.64 -0.12 -0.25 0.96 0.02 0.00 0.00 175.30 176.55 1du3 s ILE 256 N 0.89 2.04 0.25 1.52 -0.00 -0.52 0.12 121.20 125.51 1du3 s ILE 256 Ca -0.06 -1.66 -0.11 0.00 -0.00 0.00 0.00 60.65 58.83 1du3 s ILE 256 Cb -0.07 -1.82 -0.01 0.00 -0.00 0.00 0.00 42.46 40.57 1du3 s ILE 256 CO -0.07 0.04 0.45 0.72 -0.00 0.00 0.00 174.94 176.09 1du3 s PHE 257 N -1.09 0.49 -0.07 1.37 -0.12 -0.24 -1.11 117.98 117.21 1du3 s PHE 257 Ca 0.11 -0.84 0.04 0.00 -0.05 0.00 0.00 56.93 56.19 1du3 s PHE 257 Cb -0.10 0.11 -0.02 0.00 -0.63 0.00 0.00 43.02 42.39 1du3 s PHE 257 CO 0.05 -0.99 -0.19 0.08 -0.05 0.00 0.00 175.22 174.12 1du3 s VAL 258 N -3.91 2.57 0.12 -2.49 1.01 -1.26 -1.18 120.40 115.26 1du3 s VAL 258 Ca 0.25 -0.88 0.07 0.00 0.00 0.00 0.00 61.98 61.42 1du3 s VAL 258 Cb -0.00 -1.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.35 1du3 s VAL 258 CO 0.10 0.57 -0.17 -0.55 0.00 0.00 0.00 175.10 175.05 1du3 s SER 259 N -0.22 2.29 -0.03 3.32 0.15 0.45 -0.36 113.70 119.30 1du3 s SER 259 Ca -0.01 -0.76 -0.19 0.00 0.70 0.00 0.00 55.95 55.69 1du3 s SER 259 Cb -0.13 -0.11 0.04 0.00 -1.71 0.00 0.00 66.02 64.10 1du3 s SER 259 CO 0.03 -0.05 0.41 0.68 1.20 0.00 0.00 173.24 175.51 1du3 s VAL 260 N -1.74 0.04 0.89 4.45 -7.23 -0.27 -0.75 120.40 115.80 1du3 s VAL 260 Ca 0.09 -0.34 -0.12 0.00 -1.81 0.00 0.00 61.98 59.80 1du3 s VAL 260 Cb -0.07 -0.71 0.17 0.00 0.56 0.00 0.00 36.38 36.33 1du3 s VAL 260 CO 0.04 -0.18 1.23 0.42 -0.31 0.00 0.00 175.10 176.30 1du3 s THR 261 N -1.24 2.04 -0.91 5.32 -4.23 -1.02 -0.24 115.64 115.36 1du3 s THR 261 Ca -0.12 -0.14 -0.01 0.00 -1.18 0.00 0.00 61.69 60.24 1du3 s THR 261 Cb -0.04 -2.90 0.00 0.00 1.34 0.00 0.00 72.50 70.90 1du3 s THR 261 CO 0.06 0.00 0.01 0.59 -0.54 0.00 0.00 174.62 174.74 1du3 n ASN 262 N -3.51 0.49 0.27 3.99 3.02 -1.26 -4.70 115.26 113.56 1du3 n ASN 262 Ca 0.15 -0.76 0.17 0.00 -0.03 0.00 0.00 54.58 54.11 1du3 n ASN 262 Cb 0.60 -0.94 0.93 0.00 -0.61 0.00 0.00 39.78 39.76 1du3 n ASN 262 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 1du3 h GLU 263 N -0.64 0.00 0.00 3.52 4.11 -1.95 -0.97 114.58 118.65 1du3 h GLU 263 Ca -0.39 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.04 1du3 h GLU 263 Cb 0.83 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.08 1du3 h GLU 263 CO 0.42 0.00 0.00 -2.39 0.07 0.00 0.00 179.01 177.11 1du3 n HIS 264 N -3.63 0.00 0.41 2.06 1.44 -1.26 -1.78 115.22 112.45 1du3 n HIS 264 Ca -0.01 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 55.74 1du3 n HIS 264 Cb 0.19 -0.10 -0.03 0.00 0.12 0.00 0.00 29.99 30.17 1du3 n HIS 264 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1du3 n LEU 265 N -1.10 0.66 -4.77 2.39 4.77 -0.37 -5.02 117.00 113.56 1du3 n LEU 265 Ca 0.08 -0.59 -0.39 0.00 -0.03 0.00 0.00 56.01 55.08 1du3 n LEU 265 Cb 0.06 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.14 1du3 n LEU 265 CO 0.08 0.15 0.89 -0.63 -1.33 0.00 0.00 177.39 176.55 1du3 s ILE 266 N -1.64 2.91 -0.38 -0.08 -1.09 -0.74 -1.09 121.20 119.10 1du3 s ILE 266 Ca 0.05 0.79 -0.10 0.00 -2.23 0.00 0.00 60.65 59.16 1du3 s ILE 266 Cb 0.07 -3.46 0.04 0.00 -1.58 0.00 0.00 42.46 37.53 1du3 s ILE 266 CO 0.31 0.09 0.19 -0.62 -1.23 0.00 0.00 174.94 173.69 1du3 s ASP 267 N -0.95 5.64 -0.05 3.58 -1.08 0.16 -4.85 116.67 119.12 1du3 s ASP 267 Ca 0.57 -1.11 0.07 0.00 -0.52 0.00 0.00 52.55 51.56 1du3 s ASP 267 Cb -0.34 -1.99 0.29 0.00 -1.46 0.00 0.00 42.92 39.43 1du3 s ASP 267 CO 0.43 -0.40 1.09 0.23 0.52 0.00 0.00 175.17 177.04 1du3 n MET 268 N 4.95 2.16 -1.62 4.34 2.81 -1.26 -3.99 117.12 124.50 1du3 n MET 268 Ca -0.12 -1.15 -0.43 0.00 -1.81 0.00 0.00 57.70 54.20 1du3 n MET 268 Cb 0.45 -1.55 -0.00 0.00 -0.71 0.00 0.00 33.22 31.41 1du3 n MET 268 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1du3 n ASP 269 N 0.29 1.60 0.11 7.83 8.00 -1.26 -3.65 116.55 129.48 1du3 n ASP 269 Ca 0.10 1.12 0.05 0.00 0.71 0.00 0.00 54.79 56.77 1du3 n ASP 269 Cb 0.46 -1.36 0.28 0.00 -0.02 0.00 0.00 41.12 40.48 1du3 n ASP 269 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1du3 n HIS 270 N -0.10 0.35 -0.04 1.24 1.44 -0.81 -0.99 115.22 116.32 1du3 n HIS 270 Ca 0.08 0.18 -0.01 0.00 -2.01 0.00 0.00 57.72 55.97 1du3 n HIS 270 Cb 0.36 -0.64 -0.11 0.00 0.12 0.00 0.00 29.99 29.72 1du3 n HIS 270 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1du3 n GLU 271 N -1.87 1.23 -0.05 -1.40 4.71 -1.26 -4.55 120.64 117.45 1du3 n GLU 271 Ca -0.01 -0.06 -0.14 0.00 -0.01 0.00 0.00 57.16 56.94 1du3 n GLU 271 Cb 0.22 -1.35 -0.07 0.00 -1.01 0.00 0.00 31.44 29.23 1du3 n GLU 271 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1du3 h ALA 272 N 0.94 0.24 -3.53 0.62 0.00 -1.34 -3.45 119.26 112.75 1du3 h ALA 272 Ca -0.21 -0.42 -0.54 0.00 0.00 0.00 0.00 54.91 53.74 1du3 h ALA 272 Cb 1.34 -0.04 -0.33 0.00 0.00 0.00 0.00 17.79 18.76 1du3 h ALA 272 CO 0.01 0.28 -0.83 -1.12 0.00 0.00 0.00 179.25 177.59 1du3 s SER 273 N -6.43 1.97 0.31 0.00 0.01 -0.98 -3.70 113.70 104.88 1du3 s SER 273 Ca -0.13 -0.33 -0.06 0.00 1.31 0.00 0.00 55.95 56.74 1du3 s SER 273 Cb 0.06 -0.82 -0.00 0.00 0.21 0.00 0.00 66.02 65.47 1du3 s SER 273 CO 0.80 0.07 0.46 0.72 0.41 0.00 0.00 173.24 175.70 1du3 s PHE 274 N 0.48 0.84 -0.23 2.43 -0.12 -0.49 -1.07 117.98 119.83 1du3 s PHE 274 Ca -0.12 -1.13 -0.18 0.00 -0.05 0.00 0.00 56.93 55.44 1du3 s PHE 274 Cb -0.15 -0.01 0.06 0.00 -0.63 0.00 0.00 43.02 42.29 1du3 s PHE 274 CO 0.04 -1.08 0.59 0.12 -0.05 0.00 0.00 175.22 174.84 1du3 s PHE 275 N -3.37 -0.72 0.22 3.49 5.36 -0.15 -1.80 117.98 121.02 1du3 s PHE 275 Ca 0.28 1.65 -0.21 0.00 -0.96 0.00 0.00 56.93 57.69 1du3 s PHE 275 Cb -0.00 0.30 0.07 0.00 -0.34 0.00 0.00 43.02 43.05 1du3 s PHE 275 CO 0.16 -0.35 0.98 0.20 -1.46 0.00 0.00 175.22 174.75 1du3 s GLY 276 N 0.67 0.13 -0.07 13.12 0.00 -0.82 0.09 107.32 120.45 1du3 s GLY 276 Ca -0.03 -0.37 -0.29 0.00 0.00 0.00 0.00 44.72 44.03 1du3 s GLY 276 CO -0.04 1.63 0.90 0.00 0.00 0.00 0.00 173.10 175.59 1du3 s ALA 277 N -2.32 -1.85 0.06 3.20 0.00 -0.63 -0.99 121.76 119.22 1du3 s ALA 277 Ca 0.20 1.27 -0.15 0.00 0.00 0.00 0.00 51.96 53.27 1du3 s ALA 277 Cb -0.03 -0.07 0.03 0.00 0.00 0.00 0.00 23.12 23.04 1du3 s ALA 277 CO 0.06 -0.50 0.34 -0.59 0.00 0.00 0.00 175.76 175.07 1du3 s PHE 278 N -2.11 -0.15 0.59 0.00 -0.12 -0.41 -0.87 117.98 114.91 1du3 s PHE 278 Ca 0.00 0.01 -0.18 0.00 -0.05 0.00 0.00 56.93 56.71 1du3 s PHE 278 Cb -0.01 0.14 -0.04 0.00 -0.63 0.00 0.00 43.02 42.49 1du3 s PHE 278 CO -0.03 -0.55 1.15 -1.17 -0.05 0.00 0.00 175.22 174.57 1du3 s LEU 279 N -2.18 3.63 0.04 -1.99 2.96 -0.85 -0.04 118.68 120.26 1du3 s LEU 279 Ca -0.04 2.20 -0.01 0.00 -0.22 0.00 0.00 54.13 56.07 1du3 s LEU 279 Cb -0.00 -4.58 -0.03 0.00 0.50 0.00 0.00 46.19 42.08 1du3 s LEU 279 CO -0.05 -1.45 -0.03 0.68 -1.32 0.00 0.00 176.35 174.19 1du3 s VAL 280 N -1.85 0.18 0.00 1.68 -7.23 0.57 -4.76 120.40 108.99 1du3 s VAL 280 Ca 0.73 -1.49 0.00 0.00 -1.81 0.00 0.00 61.98 59.41 1du3 s VAL 280 Cb -0.25 -1.08 0.00 0.00 0.56 0.00 0.00 36.38 35.61 1du3 s VAL 280 CO 0.32 -0.82 0.00 0.61 -0.31 0.00 0.00 175.10 174.90