#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 4.32 -0.23 -1.09 0.52 -1.26 -5.00 118.95 116.21 1du3 s ARG 121 Ca 0.00 1.88 0.02 0.00 -0.52 0.00 0.00 55.73 57.11 1du3 s ARG 121 Cb 0.00 -2.92 0.05 0.00 0.52 0.00 0.00 34.95 32.60 1du3 s ARG 121 CO 0.00 -0.10 -0.12 0.08 0.02 0.00 0.00 175.30 175.18 1du3 s VAL 122 N -1.29 2.00 -0.05 3.52 1.01 -1.26 -4.14 120.40 120.19 1du3 s VAL 122 Ca 0.51 -1.35 -0.31 0.00 0.00 0.00 0.00 61.98 60.83 1du3 s VAL 122 Cb -0.32 -2.05 0.12 0.00 0.00 0.00 0.00 36.38 34.13 1du3 s VAL 122 CO 0.42 0.12 1.25 0.00 0.00 0.00 0.00 175.10 176.89 1du3 s ALA 123 N 1.22 -2.17 -0.27 5.51 0.00 -0.57 -2.09 121.76 123.39 1du3 s ALA 123 Ca -0.04 0.88 -0.25 0.00 0.00 0.00 0.00 51.96 52.54 1du3 s ALA 123 Cb -0.18 0.26 0.12 0.00 0.00 0.00 0.00 23.12 23.33 1du3 s ALA 123 CO -0.07 -0.95 1.02 0.00 0.00 0.00 0.00 175.76 175.76 1du3 s ALA 124 N -2.47 -1.96 -0.06 0.00 0.00 -0.05 -0.59 121.76 116.63 1du3 s ALA 124 Ca 0.13 1.87 -0.00 0.00 0.00 0.00 0.00 51.96 53.95 1du3 s ALA 124 Cb 0.03 -1.38 0.03 0.00 0.00 0.00 0.00 23.12 21.79 1du3 s ALA 124 CO -0.04 -0.24 -0.01 -1.58 0.00 0.00 0.00 175.76 173.88 1du3 s HIS 125 N 0.16 0.65 -0.03 0.00 5.04 -0.86 -0.93 115.29 119.31 1du3 s HIS 125 Ca 0.03 -0.16 0.02 0.00 -1.54 0.00 0.00 55.06 53.40 1du3 s HIS 125 Cb -0.05 -0.71 0.01 0.00 0.04 0.00 0.00 32.58 31.88 1du3 s HIS 125 CO -0.05 -0.26 -0.06 0.96 -2.34 0.00 0.00 174.74 172.98 1du3 s ILE 126 N 1.53 0.62 0.40 0.89 -4.36 0.05 -0.09 121.20 120.23 1du3 s ILE 126 Ca -0.02 -0.22 0.08 0.00 -0.26 0.00 0.00 60.65 60.23 1du3 s ILE 126 Cb -0.13 -0.60 -0.03 0.00 1.25 0.00 0.00 42.46 42.95 1du3 s ILE 126 CO -0.03 0.22 0.29 0.42 0.24 0.00 0.00 174.94 176.08 1du3 s THR 127 N 0.57 2.67 0.67 8.37 -4.23 -1.26 -0.34 115.64 122.09 1du3 s THR 127 Ca -0.08 -1.48 -0.14 0.00 -1.18 0.00 0.00 61.69 58.80 1du3 s THR 127 Cb -0.12 -3.01 0.01 0.00 1.34 0.00 0.00 72.50 70.72 1du3 s THR 127 CO 0.00 -0.03 1.11 -0.83 -0.54 0.00 0.00 174.62 174.33 1du3 s GLY 128 N -4.03 2.08 -0.03 3.99 0.00 -0.12 -0.24 107.32 108.97 1du3 s GLY 128 Ca 0.44 0.50 0.04 0.00 0.00 0.00 0.00 44.72 45.71 1du3 s GLY 128 CO 0.26 0.85 -0.15 -0.51 0.00 0.00 0.00 173.10 173.55 1du3 s THR 129 N -2.43 3.02 0.00 0.90 -4.23 -1.06 -3.00 115.64 108.85 1du3 s THR 129 Ca 0.66 -0.83 0.00 0.00 -1.18 0.00 0.00 61.69 60.34 1du3 s THR 129 Cb -0.20 -2.21 0.00 0.00 1.34 0.00 0.00 72.50 71.43 1du3 s THR 129 CO 0.43 0.53 0.00 -1.14 -0.54 0.00 0.00 174.62 173.90 1du3 n ARG 130 N 2.10 0.00 0.00 3.99 0.63 -1.24 -4.71 116.66 117.44 1du3 n ARG 130 Ca -0.17 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.76 1du3 n ARG 130 Cb 0.52 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.43 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 0.00 3.20 3.73 5.14 0.00 -1.26 -4.93 105.19 111.07 1du3 n GLY 131 Ca 0.00 -1.94 -0.31 0.00 0.00 0.00 0.00 46.02 43.78 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 -2.60 1.69 0.12 1.61 3.52 -1.26 -2.93 118.95 119.10 1du3 s ARG 132 Ca 0.00 1.10 -0.10 0.00 -0.13 0.00 0.00 55.73 56.60 1du3 s ARG 132 Cb 0.00 -1.84 -0.06 0.00 -1.56 0.00 0.00 34.95 31.49 1du3 s ARG 132 CO 0.00 -2.02 0.44 -1.54 -0.81 0.00 0.00 175.30 171.37 1du3 s SER 133 N -3.28 6.64 0.12 -2.12 1.04 -1.26 -4.90 113.70 109.93 1du3 s SER 133 Ca 0.63 0.82 -0.24 0.00 0.48 0.00 0.00 55.95 57.64 1du3 s SER 133 Cb -0.18 -2.19 -0.14 0.00 0.10 0.00 0.00 66.02 63.61 1du3 s SER 133 CO 0.57 0.10 0.51 0.59 0.98 0.00 0.00 173.24 176.00 1du3 n ASN 134 N 0.59 -0.73 -1.75 7.02 3.02 -1.26 -5.13 115.26 117.02 1du3 n ASN 134 Ca -0.05 0.89 -0.19 0.00 -0.03 0.00 0.00 54.58 55.20 1du3 n ASN 134 Cb 0.52 -0.73 0.08 0.00 -0.61 0.00 0.00 39.78 39.04 1du3 n ASN 134 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1du3 n THR 135 N 0.30 2.67 0.00 3.41 -2.24 -1.26 -5.25 114.28 111.91 1du3 n THR 135 Ca 0.14 -3.65 0.00 0.00 -2.27 0.00 0.00 64.05 58.28 1du3 n THR 135 Cb 0.16 -0.89 0.00 0.00 -2.10 0.00 0.00 70.33 67.50 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 -0.87 -0.10 -2.82 6.98 0.00 -1.26 -5.35 120.51 117.09 1du3 n ALA 146 Ca 0.42 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.60 1du3 n ALA 146 Cb 0.90 -0.10 -0.03 0.00 0.00 0.00 0.00 19.45 20.23 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 -1.24 4.24 0.50 0.00 1.43 -1.26 -4.96 118.68 117.38 1du3 s LEU 147 Ca 0.00 0.32 0.00 0.00 -1.03 0.00 0.00 54.13 53.42 1du3 s LEU 147 Cb 0.00 -3.09 0.00 0.00 0.03 0.00 0.00 46.19 43.13 1du3 s LEU 147 CO 0.00 -0.05 0.00 0.61 0.23 0.00 0.00 176.35 177.14 1du3 n GLY 148 N -0.85 -2.64 3.74 -3.19 0.00 -1.26 -4.64 105.19 96.36 1du3 n GLY 148 Ca -0.06 -0.93 -0.40 0.00 0.00 0.00 0.00 46.02 44.63 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 -3.78 4.73 0.17 1.61 3.00 0.47 -4.65 118.95 120.50 1du3 s ARG 149 Ca 0.00 1.41 -0.30 0.00 0.00 0.00 0.00 55.73 56.84 1du3 s ARG 149 Cb 0.00 -3.33 -0.07 0.00 0.00 0.00 0.00 34.95 31.55 1du3 s ARG 149 CO 0.00 0.37 0.99 0.21 0.00 0.00 0.00 175.30 176.87 1du3 s LYS 150 N -0.56 4.72 -0.14 3.54 2.20 -1.26 -0.72 119.74 127.50 1du3 s LYS 150 Ca 0.43 1.54 -0.27 0.00 -0.36 0.00 0.00 55.97 57.31 1du3 s LYS 150 Cb -0.24 -3.32 -0.01 0.00 -1.51 0.00 0.00 37.83 32.75 1du3 s LYS 150 CO 0.30 0.27 0.91 0.42 -0.36 0.00 0.00 175.35 176.88 1du3 s ILE 151 N -0.43 4.84 0.00 5.43 1.01 -0.68 -4.91 121.20 126.46 1du3 s ILE 151 Ca 0.46 1.81 0.00 0.00 0.00 0.00 0.00 60.65 62.92 1du3 s ILE 151 Cb -0.26 -4.21 0.00 0.00 0.01 0.00 0.00 42.46 38.00 1du3 s ILE 151 CO 0.32 0.01 0.66 -0.46 0.00 0.00 0.00 174.94 175.48 1du3 n ASN 152 N 5.15 1.09 -3.16 3.58 0.23 -1.26 -4.63 115.26 116.26 1du3 n ASN 152 Ca 0.06 -1.44 -0.40 0.00 -0.53 0.00 0.00 54.58 52.28 1du3 n ASN 152 Cb 0.49 0.00 0.03 0.00 -2.08 0.00 0.00 39.78 38.22 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 -0.22 7.36 -4.93 0.53 3.41 -1.26 -4.04 113.62 114.48 1du3 n SER 153 Ca 0.00 -3.78 -0.26 0.00 -0.26 0.00 0.00 58.87 54.56 1du3 n SER 153 Cb 0.26 -1.08 -0.02 0.00 -0.26 0.00 0.00 64.21 63.10 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 -4.15 3.49 1.23 7.33 0.23 -1.26 -3.48 118.94 122.33 1du3 s TRP 154 Ca 0.47 0.42 -0.17 0.00 -2.03 0.00 0.00 56.10 54.79 1du3 s TRP 154 Cb 0.35 -1.93 0.30 0.00 0.03 0.00 0.00 33.47 32.21 1du3 s TRP 154 CO -0.31 0.23 1.03 -1.21 0.96 0.00 0.00 176.95 177.65 1du3 s GLU 155 N -3.75 -1.43 0.13 4.98 0.41 0.67 -4.89 118.70 114.82 1du3 s GLU 155 Ca 0.40 0.33 0.00 0.00 -0.41 0.00 0.00 54.97 55.30 1du3 s GLU 155 Cb -0.10 -1.54 0.00 0.00 -1.78 0.00 0.00 34.13 30.71 1du3 s GLU 155 CO 0.32 -3.93 0.00 -1.13 -0.49 0.00 0.00 175.26 170.02 1du3 n SER 156 N -4.99 -0.11 -3.84 -0.19 3.41 -1.26 -4.71 113.62 101.92 1du3 n SER 156 Ca 0.08 0.22 -0.21 0.00 -0.26 0.00 0.00 58.87 58.70 1du3 n SER 156 Cb 0.58 0.22 0.10 0.00 -0.26 0.00 0.00 64.21 64.84 1du3 n SER 156 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1du3 n SER 157 N -2.92 -2.68 -4.81 4.04 3.41 -1.26 -4.66 113.62 104.74 1du3 n SER 157 Ca 0.00 -0.18 -0.37 0.00 -0.26 0.00 0.00 58.87 58.06 1du3 n SER 157 Cb 0.00 -0.69 -0.06 0.00 -0.26 0.00 0.00 64.21 63.20 1du3 n SER 157 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1du3 s ARG 158 N -2.84 4.30 0.00 4.33 3.00 -1.26 -4.63 118.95 121.85 1du3 s ARG 158 Ca 0.32 0.89 0.00 0.00 -1.00 0.00 0.00 55.73 55.94 1du3 s ARG 158 Cb -0.02 -3.06 0.00 0.00 0.00 0.00 0.00 34.95 31.86 1du3 s ARG 158 CO 0.40 0.50 0.00 -1.13 0.00 0.00 0.00 175.30 175.07 1du3 n SER 159 N 1.18 0.01 -0.89 -2.12 3.41 -1.06 -5.03 113.62 109.11 1du3 n SER 159 Ca -0.05 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.64 1du3 n SER 159 Cb 0.50 0.00 0.26 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 4.06 0.00 5.00 0.00 -1.26 -4.51 105.19 108.48 1du3 n GLY 160 Ca 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.53 0.00 -3.61 1.61 1.44 -1.26 -5.11 115.22 107.76 1du3 n HIS 161 Ca 0.21 0.00 -0.15 0.00 -2.01 0.00 0.00 57.72 55.77 1du3 n HIS 161 Cb 0.90 0.09 -0.07 0.00 0.12 0.00 0.00 29.99 31.02 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 0.00 -0.66 0.20 4.39 1.04 -1.26 -4.61 113.70 112.81 1du3 s SER 162 Ca 0.00 1.06 -0.12 0.00 0.48 0.00 0.00 55.95 57.37 1du3 s SER 162 Cb 0.00 1.02 -0.00 0.00 0.10 0.00 0.00 66.02 67.14 1du3 s SER 162 CO 0.00 -0.38 0.39 0.72 0.98 0.00 0.00 173.24 174.96 1du3 s PHE 163 N -0.28 0.33 -0.07 5.02 -0.71 0.86 -2.56 117.98 120.56 1du3 s PHE 163 Ca -0.05 -0.68 -0.00 0.00 -1.04 0.00 0.00 56.93 55.16 1du3 s PHE 163 Cb -0.03 0.09 0.02 0.00 -1.21 0.00 0.00 43.02 41.90 1du3 s PHE 163 CO 0.04 -0.86 -0.04 -0.51 -1.34 0.00 0.00 175.22 172.52 1du3 s LEU 164 N -2.98 1.03 -0.22 -1.99 1.43 -1.26 -2.03 118.68 112.66 1du3 s LEU 164 Ca 0.19 -0.16 -0.02 0.00 -1.03 0.00 0.00 54.13 53.11 1du3 s LEU 164 Cb 0.01 -0.57 0.06 0.00 0.03 0.00 0.00 46.19 45.73 1du3 s LEU 164 CO 0.03 -0.12 0.02 -0.55 0.23 0.00 0.00 176.35 175.97 1du3 s SER 165 N 1.49 3.30 -1.17 2.29 0.15 0.24 -4.74 113.70 115.26 1du3 s SER 165 Ca -0.01 -1.02 -0.07 0.00 0.70 0.00 0.00 55.95 55.55 1du3 s SER 165 Cb -0.13 -0.78 0.01 0.00 -1.71 0.00 0.00 66.02 63.41 1du3 s SER 165 CO -0.04 -0.30 1.02 0.59 1.20 0.00 0.00 173.24 175.71 1du3 n ASN 166 N 4.93 -5.59 -3.02 5.45 3.02 -1.26 -1.50 115.26 117.29 1du3 n ASN 166 Ca -0.09 -0.47 -0.10 0.00 -0.03 0.00 0.00 54.58 53.89 1du3 n ASN 166 Cb 0.46 -4.43 0.01 0.00 -0.61 0.00 0.00 39.78 35.21 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 -6.42 0.25 0.01 3.41 1.02 -1.26 -4.37 118.68 111.32 1du3 s LEU 167 Ca 0.48 -1.22 -0.29 0.00 0.02 0.00 0.00 54.13 53.12 1du3 s LEU 167 Cb -0.21 2.51 0.10 0.00 0.02 0.00 0.00 46.19 48.61 1du3 s LEU 167 CO 0.63 -1.59 0.99 -1.38 0.02 0.00 0.00 176.35 175.01 1du3 s HIS 168 N -2.51 -0.24 -0.03 0.29 -3.43 -1.21 -4.94 115.29 103.22 1du3 s HIS 168 Ca 0.19 0.07 0.03 0.00 -0.80 0.00 0.00 55.06 54.56 1du3 s HIS 168 Cb -0.04 0.56 -0.03 0.00 -1.43 0.00 0.00 32.58 31.64 1du3 s HIS 168 CO 0.14 -0.54 -0.11 -1.17 -2.00 0.00 0.00 174.74 171.05 1du3 s LEU 169 N -2.60 2.94 -0.28 5.38 2.96 -1.26 -0.44 118.68 125.38 1du3 s LEU 169 Ca 0.08 -0.17 -0.01 0.00 -0.22 0.00 0.00 54.13 53.81 1du3 s LEU 169 Cb -0.01 -1.66 0.13 0.00 0.50 0.00 0.00 46.19 45.16 1du3 s LEU 169 CO -0.05 0.32 0.27 -0.60 -1.32 0.00 0.00 176.35 174.96 1du3 s ARG 170 N -1.05 0.29 -0.87 1.98 6.06 -0.20 -4.89 118.95 120.28 1du3 s ARG 170 Ca 0.14 -0.17 -0.05 0.00 -2.50 0.00 0.00 55.73 53.15 1du3 s ARG 170 Cb -0.11 -0.77 0.01 0.00 0.06 0.00 0.00 34.95 34.14 1du3 s ARG 170 CO 0.03 -1.00 0.76 0.09 -2.50 0.00 0.00 175.30 172.68 1du3 n ASN 171 N 5.30 -4.24 -0.73 -2.12 5.03 -1.26 -2.81 115.26 114.44 1du3 n ASN 171 Ca -0.03 -0.37 -0.09 0.00 0.87 0.00 0.00 54.58 54.96 1du3 n ASN 171 Cb 0.46 -3.51 -0.04 0.00 -1.02 0.00 0.00 39.78 35.67 1du3 n ASN 171 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1du3 n GLY 172 N -1.41 1.06 3.16 7.41 0.00 -1.26 -4.75 105.19 109.41 1du3 n GLY 172 Ca -0.04 -0.61 -0.31 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.85 2.79 0.12 1.61 2.02 -1.12 -4.53 118.70 116.74 1du3 s GLU 173 Ca 0.00 -0.78 -0.30 0.00 0.02 0.00 0.00 54.97 53.91 1du3 s GLU 173 Cb 0.00 -2.19 -0.06 0.00 0.10 0.00 0.00 34.13 31.97 1du3 s GLU 173 CO 0.00 0.07 1.02 -0.51 0.02 0.00 0.00 175.26 175.86 1du3 s LEU 174 N 0.61 4.48 -0.16 1.80 1.43 0.28 -1.04 118.68 126.08 1du3 s LEU 174 Ca -0.13 1.89 -0.01 0.00 -1.03 0.00 0.00 54.13 54.85 1du3 s LEU 174 Cb -0.17 -3.59 -0.01 0.00 0.03 0.00 0.00 46.19 42.45 1du3 s LEU 174 CO 0.04 -0.14 -0.11 -0.69 0.23 0.00 0.00 176.35 175.68 1du3 s VAL 175 N 0.02 3.12 0.21 -1.59 1.01 0.42 -1.10 120.40 122.49 1du3 s VAL 175 Ca 0.48 -0.62 -0.30 0.00 0.00 0.00 0.00 61.98 61.55 1du3 s VAL 175 Cb -0.25 -2.34 -0.08 0.00 0.00 0.00 0.00 36.38 33.70 1du3 s VAL 175 CO 0.31 0.50 1.19 -0.63 0.00 0.00 0.00 175.10 176.48 1du3 s ILE 176 N 0.69 3.48 -0.11 2.22 -1.09 -0.59 -3.36 121.20 122.45 1du3 s ILE 176 Ca -0.05 1.29 0.08 0.00 -2.23 0.00 0.00 60.65 59.74 1du3 s ILE 176 Cb -0.15 -3.82 -0.12 0.00 -1.58 0.00 0.00 42.46 36.78 1du3 s ILE 176 CO 0.02 0.23 0.02 1.41 -1.23 0.00 0.00 174.94 175.39 1du3 n HIS 177 N 2.18 0.00 -4.60 3.97 8.25 -1.26 -0.30 115.22 123.45 1du3 n HIS 177 Ca 0.03 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.24 1du3 n HIS 177 Cb 0.44 -0.51 -0.14 0.00 1.12 0.00 0.00 29.99 30.90 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 -2.25 1.35 0.15 -0.41 2.02 -1.26 -4.76 118.70 113.54 1du3 s GLU 178 Ca -0.06 -0.95 -0.16 0.00 0.02 0.00 0.00 54.97 53.82 1du3 s GLU 178 Cb 0.03 -1.47 -0.07 0.00 0.10 0.00 0.00 34.13 32.72 1du3 s GLU 178 CO 0.41 0.37 0.59 -1.59 0.02 0.00 0.00 175.26 175.07 1du3 s LYS 179 N -1.23 4.07 0.00 1.61 -2.85 -1.26 -4.55 119.74 115.54 1du3 s LYS 179 Ca 0.07 0.61 0.00 0.00 -1.00 0.00 0.00 55.97 55.65 1du3 s LYS 179 Cb -0.09 -2.97 0.00 0.00 -2.06 0.00 0.00 37.83 32.71 1du3 s LYS 179 CO 0.02 0.49 0.00 0.41 0.10 0.00 0.00 175.35 176.37 1du3 n GLY 180 N 0.93 -1.34 3.77 0.59 0.00 -0.91 -5.01 105.19 103.22 1du3 n GLY 180 Ca -0.05 -1.11 -0.40 0.00 0.00 0.00 0.00 46.02 44.46 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 -3.00 3.91 -0.04 1.61 0.08 -1.25 -2.02 117.98 117.27 1du3 s PHE 181 Ca 0.00 1.66 0.01 0.00 0.12 0.00 0.00 56.93 58.73 1du3 s PHE 181 Cb 0.00 -2.80 0.01 0.00 -0.57 0.00 0.00 43.02 39.66 1du3 s PHE 181 CO 0.00 0.49 -0.06 0.71 -0.10 0.00 0.00 175.22 176.26 1du3 s TYR 182 N -1.05 0.78 -0.09 0.36 1.51 -0.52 -2.11 117.35 116.23 1du3 s TYR 182 Ca 0.37 -0.21 -0.22 0.00 -1.01 0.00 0.00 57.07 56.01 1du3 s TYR 182 Cb -0.23 -0.63 -0.04 0.00 -0.11 0.00 0.00 41.96 40.95 1du3 s TYR 182 CO 0.27 -0.15 0.62 -0.47 -1.11 0.00 0.00 175.55 174.71 1du3 s TYR 183 N 0.61 3.55 -0.07 2.71 5.04 0.36 -1.64 117.35 127.92 1du3 s TYR 183 Ca -0.09 1.12 0.03 0.00 -2.44 0.00 0.00 57.07 55.70 1du3 s TYR 183 Cb -0.12 -2.72 0.01 0.00 0.35 0.00 0.00 41.96 39.48 1du3 s TYR 183 CO 0.00 0.11 -0.16 0.42 -1.34 0.00 0.00 175.55 174.58 1du3 s ILE 184 N 0.77 1.42 0.16 3.14 1.01 0.82 -0.69 121.20 127.83 1du3 s ILE 184 Ca 0.33 -0.67 -0.05 0.00 0.00 0.00 0.00 60.65 60.27 1du3 s ILE 184 Cb -0.17 -1.26 -0.02 0.00 0.01 0.00 0.00 42.46 41.02 1du3 s ILE 184 CO 0.15 0.42 0.19 -0.72 0.00 0.00 0.00 174.94 174.98 1du3 s TYR 185 N 0.41 0.65 -0.28 3.97 1.13 -0.48 -1.56 117.35 121.20 1du3 s TYR 185 Ca -0.12 -1.01 -0.24 0.00 -1.41 0.00 0.00 57.07 54.28 1du3 s TYR 185 Cb -0.15 -0.26 0.09 0.00 -1.10 0.00 0.00 41.96 40.54 1du3 s TYR 185 CO 0.04 -0.65 0.86 0.45 -2.51 0.00 0.00 175.55 173.75 1du3 s SER 186 N -3.02 -0.63 -0.09 -0.18 0.15 -0.75 -1.73 113.70 107.46 1du3 s SER 186 Ca 0.22 1.19 0.02 0.00 0.70 0.00 0.00 55.95 58.08 1du3 s SER 186 Cb 0.05 1.21 -0.02 0.00 -1.71 0.00 0.00 66.02 65.56 1du3 s SER 186 CO 0.02 -0.20 -0.14 -1.58 1.20 0.00 0.00 173.24 172.54 1du3 s GLN 187 N 0.40 2.99 -0.07 5.44 0.74 -1.06 -2.85 119.66 125.26 1du3 s GLN 187 Ca 0.01 -0.70 0.01 0.00 0.05 0.00 0.00 55.36 54.73 1du3 s GLN 187 Cb -0.05 -2.51 0.02 0.00 1.10 0.00 0.00 33.01 31.57 1du3 s GLN 187 CO -0.03 0.39 -0.08 0.95 -0.55 0.00 0.00 175.29 175.96 1du3 s THR 188 N -0.11 0.88 -0.35 -0.34 -4.23 -0.50 -1.17 115.64 109.81 1du3 s THR 188 Ca -0.02 -0.29 -0.11 0.00 -1.18 0.00 0.00 61.69 60.08 1du3 s THR 188 Cb -0.14 -0.85 0.01 0.00 1.34 0.00 0.00 72.50 72.85 1du3 s THR 188 CO 0.04 0.31 0.21 -0.47 -0.54 0.00 0.00 174.62 174.16 1du3 s TYR 189 N 1.00 3.22 -0.35 3.99 5.04 -1.25 -0.69 117.35 128.30 1du3 s TYR 189 Ca -0.09 -0.61 -0.18 0.00 -2.44 0.00 0.00 57.07 53.75 1du3 s TYR 189 Cb -0.15 -2.44 -0.00 0.00 0.35 0.00 0.00 41.96 39.72 1du3 s TYR 189 CO -0.00 -0.51 0.52 -0.06 -1.34 0.00 0.00 175.55 174.15 1du3 s PHE 190 N 1.63 3.18 -0.09 4.97 0.08 -0.91 -0.88 117.98 125.95 1du3 s PHE 190 Ca 0.04 0.18 -0.02 0.00 0.12 0.00 0.00 56.93 57.26 1du3 s PHE 190 Cb -0.18 -2.93 0.04 0.00 -0.57 0.00 0.00 43.02 39.38 1du3 s PHE 190 CO 0.08 -0.54 0.02 0.50 -0.10 0.00 0.00 175.22 175.18 1du3 s ARG 191 N 2.40 0.46 0.00 0.44 3.52 -0.46 -0.67 118.95 124.64 1du3 s ARG 191 Ca 0.19 0.06 -0.05 0.00 -0.13 0.00 0.00 55.73 55.79 1du3 s ARG 191 Cb -0.15 -1.14 -0.00 0.00 -1.56 0.00 0.00 34.95 32.09 1du3 s ARG 191 CO 0.13 -0.39 0.09 -0.59 -0.81 0.00 0.00 175.30 173.73 1du3 s PHE 192 N 2.00 0.08 -1.02 5.12 -0.12 -0.84 -4.78 117.98 118.42 1du3 s PHE 192 Ca 0.04 -0.19 -0.01 0.00 -0.05 0.00 0.00 56.93 56.72 1du3 s PHE 192 Cb -0.13 -0.08 0.32 0.00 -0.63 0.00 0.00 43.02 42.50 1du3 s PHE 192 CO -0.06 -0.23 1.75 0.94 -0.05 0.00 0.00 175.22 177.57 1du3 n GLN 193 N 1.70 5.24 -1.63 1.99 -0.06 -1.26 -0.94 117.38 122.42 1du3 n GLN 193 Ca -0.22 -4.66 -0.47 0.00 -2.00 0.00 0.00 57.00 49.65 1du3 n GLN 193 Cb 0.56 -2.47 -0.04 0.00 -4.06 0.00 0.00 30.24 24.23 1du3 n GLN 193 CO 0.00 0.00 0.00 -0.85 -0.20 0.00 0.00 177.06 176.01 1du3 n GLU 194 N 0.11 1.64 -4.61 3.69 0.28 -1.12 -4.89 120.64 115.74 1du3 n GLU 194 Ca 0.44 0.59 -0.33 0.00 -0.16 0.00 0.00 57.16 57.70 1du3 n GLU 194 Cb 0.27 -2.21 -0.16 0.00 1.43 0.00 0.00 31.44 30.77 1du3 n GLU 194 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 1du3 s GLU 195 N -0.03 3.09 -0.61 3.44 8.01 -1.26 -4.46 118.70 126.88 1du3 s GLU 195 Ca 0.74 -0.82 -0.26 0.00 0.01 0.00 0.00 54.97 54.65 1du3 s GLU 195 Cb -0.77 -2.51 -0.08 0.00 -4.31 0.00 0.00 34.13 26.47 1du3 s GLU 195 CO 0.48 -0.01 2.30 0.42 0.01 0.00 0.00 175.26 178.46 1du3 s ILE 196 N 0.83 3.09 0.00 -1.63 -1.09 -1.26 -4.94 121.20 116.19 1du3 s ILE 196 Ca -0.06 0.01 0.00 0.00 -2.23 0.00 0.00 60.65 58.37 1du3 s ILE 196 Cb -0.15 -3.22 0.00 0.00 -1.58 0.00 0.00 42.46 37.51 1du3 s ILE 196 CO -0.01 -0.21 0.00 0.29 -1.23 0.00 0.00 174.94 173.77 1du3 n LYS 197 N 8.99 -0.63 0.00 2.79 5.02 -1.26 -5.07 118.16 128.00 1du3 n LYS 197 Ca 0.37 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.66 1du3 n LYS 197 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.52 1du3 n LYS 197 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1du3 n GLU 198 N -1.25 0.00 -0.33 1.97 4.71 -1.26 -4.80 120.64 119.68 1du3 n GLU 198 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 1du3 n GLU 198 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.43 1du3 n GLU 198 CO 0.00 0.00 0.00 -1.71 0.09 0.00 0.00 177.13 175.51 1du3 n ASN 199 N -0.87 3.70 -3.69 1.62 5.15 -1.26 -4.76 115.26 115.15 1du3 n ASN 199 Ca 0.00 -1.97 -0.09 0.00 -0.60 0.00 0.00 54.58 51.92 1du3 n ASN 199 Cb 0.00 -0.78 -0.03 0.00 -0.53 0.00 0.00 39.78 38.45 1du3 n ASN 199 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1du3 s THR 200 N 0.57 0.01 -0.09 -0.44 -4.23 -1.26 -5.16 115.64 105.04 1du3 s THR 200 Ca 0.00 -0.64 -0.11 0.00 -1.18 0.00 0.00 61.69 59.76 1du3 s THR 200 Cb 0.00 -1.56 -0.05 0.00 1.34 0.00 0.00 72.50 72.24 1du3 s THR 200 CO 0.00 -0.05 0.26 -0.54 -0.54 0.00 0.00 174.62 173.75 1du3 s LYS 201 N -3.86 3.79 0.00 3.99 1.02 -1.26 -4.81 119.74 118.61 1du3 s LYS 201 Ca 0.08 0.09 0.23 0.00 0.02 0.00 0.00 55.97 56.38 1du3 s LYS 201 Cb -0.02 -3.26 0.06 0.00 -0.52 0.00 0.00 37.83 34.09 1du3 s LYS 201 CO -0.03 0.63 1.11 0.09 -0.92 0.00 0.00 175.35 176.23 1du3 n ASN 202 N 2.30 1.24 -4.68 2.83 3.02 -1.26 -4.94 115.26 113.76 1du3 n ASN 202 Ca -0.16 -1.03 -0.42 0.00 -0.03 0.00 0.00 54.58 52.94 1du3 n ASN 202 Cb 0.53 0.63 -0.03 0.00 -0.61 0.00 0.00 39.78 40.31 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 -2.79 6.50 0.01 6.41 -4.77 -1.26 -4.98 116.67 115.79 1du3 s ASP 203 Ca 0.13 2.63 0.05 0.00 -3.30 0.00 0.00 52.55 52.06 1du3 s ASP 203 Cb 0.17 -2.56 -0.03 0.00 -1.09 0.00 0.00 42.92 39.41 1du3 s ASP 203 CO 0.72 -0.97 -0.12 -0.54 0.70 0.00 0.00 175.17 174.96 1du3 s LYS 204 N 2.99 2.36 -0.36 2.11 1.02 -1.26 -5.01 119.74 121.59 1du3 s LYS 204 Ca 0.79 -0.82 -0.03 0.00 0.02 0.00 0.00 55.97 55.94 1du3 s LYS 204 Cb -0.43 -2.37 0.08 0.00 -0.52 0.00 0.00 37.83 34.60 1du3 s LYS 204 CO 0.35 0.58 0.12 -0.65 -0.92 0.00 0.00 175.35 174.83 1du3 s GLN 205 N -1.35 2.19 -0.32 1.68 -0.21 -1.26 -2.22 119.66 118.18 1du3 s GLN 205 Ca 0.15 -1.57 -0.19 0.00 0.02 0.00 0.00 55.36 53.78 1du3 s GLN 205 Cb -0.11 -3.42 -0.01 0.00 1.00 0.00 0.00 33.01 30.47 1du3 s GLN 205 CO 0.06 -0.88 0.54 -1.64 -2.12 0.00 0.00 175.29 171.26 1du3 s MET 206 N 1.20 3.79 0.00 2.91 -1.94 -0.78 -4.64 119.30 119.84 1du3 s MET 206 Ca 0.03 0.06 0.02 0.00 -1.71 0.00 0.00 55.69 54.09 1du3 s MET 206 Cb -0.21 -3.75 -0.01 0.00 2.01 0.00 0.00 34.83 32.87 1du3 s MET 206 CO -0.03 -0.56 -0.07 0.08 -0.01 0.00 0.00 175.02 174.43 1du3 s VAL 207 N 2.44 0.53 -0.11 -6.03 1.01 -1.26 -0.98 120.40 116.01 1du3 s VAL 207 Ca 0.21 -0.39 0.04 0.00 0.00 0.00 0.00 61.98 61.83 1du3 s VAL 207 Cb -0.15 -0.47 -0.00 0.00 0.00 0.00 0.00 36.38 35.76 1du3 s VAL 207 CO 0.12 0.08 -0.23 -1.58 0.00 0.00 0.00 175.10 173.49 1du3 s GLN 208 N -0.35 3.08 -0.04 2.72 0.74 -0.52 -2.17 119.66 123.13 1du3 s GLN 208 Ca 0.01 -0.86 0.05 0.00 0.05 0.00 0.00 55.36 54.61 1du3 s GLN 208 Cb -0.04 -2.34 -0.02 0.00 1.10 0.00 0.00 33.01 31.71 1du3 s GLN 208 CO -0.00 0.17 -0.17 0.71 -0.55 0.00 0.00 175.29 175.44 1du3 s TYR 209 N 0.38 2.61 -0.21 1.67 2.02 0.12 -1.79 117.35 122.14 1du3 s TYR 209 Ca -0.17 -0.23 0.01 0.00 -0.37 0.00 0.00 57.07 56.31 1du3 s TYR 209 Cb -0.18 -1.59 0.05 0.00 -0.40 0.00 0.00 41.96 39.84 1du3 s TYR 209 CO 0.08 0.14 -0.10 0.42 -1.57 0.00 0.00 175.55 174.52 1du3 s ILE 210 N -0.72 1.68 0.49 2.71 1.01 -0.75 -0.22 121.20 125.41 1du3 s ILE 210 Ca 0.11 -1.10 0.06 0.00 0.00 0.00 0.00 60.65 59.72 1du3 s ILE 210 Cb -0.10 -1.79 0.01 0.00 0.01 0.00 0.00 42.46 40.58 1du3 s ILE 210 CO 0.00 0.11 0.34 -0.31 0.00 0.00 0.00 174.94 175.09 1du3 s TYR 211 N 1.36 2.05 0.02 3.97 2.02 -0.59 -0.77 117.35 125.41 1du3 s TYR 211 Ca -0.03 -0.72 -0.05 0.00 -0.37 0.00 0.00 57.07 55.91 1du3 s TYR 211 Cb -0.17 -1.97 -0.01 0.00 -0.40 0.00 0.00 41.96 39.41 1du3 s TYR 211 CO -0.08 -0.25 0.07 -1.59 -1.57 0.00 0.00 175.55 172.13 1du3 s LYS 212 N -4.17 0.47 -0.23 -0.62 -2.85 -0.22 -2.18 119.74 109.95 1du3 s LYS 212 Ca 0.38 -0.59 0.02 0.00 -1.00 0.00 0.00 55.97 54.78 1du3 s LYS 212 Cb -0.01 0.19 0.05 0.00 -2.06 0.00 0.00 37.83 35.99 1du3 s LYS 212 CO 0.22 -0.11 -0.11 0.71 0.10 0.00 0.00 175.35 176.16 1du3 s TYR 213 N -1.84 2.84 0.00 1.78 2.02 0.35 -1.27 117.35 121.23 1du3 s TYR 213 Ca -0.12 -1.95 0.00 0.00 -0.37 0.00 0.00 57.07 54.63 1du3 s TYR 213 Cb -0.06 -1.80 0.00 0.00 -0.40 0.00 0.00 41.96 39.70 1du3 s TYR 213 CO -0.01 -0.82 0.00 -2.37 -1.57 0.00 0.00 175.55 170.78 1du3 n THR 214 N 4.56 0.00 -0.64 -0.71 5.66 -1.26 0.29 114.28 122.17 1du3 n THR 214 Ca -0.15 0.00 -0.18 0.00 -3.05 0.00 0.00 64.05 60.67 1du3 n THR 214 Cb 0.45 -0.25 -0.02 0.00 -1.55 0.00 0.00 70.33 68.95 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 -1.38 4.21 -3.74 1.09 3.41 -1.26 -4.72 113.62 111.23 1du3 n SER 215 Ca 0.00 -2.25 -0.12 0.00 -0.26 0.00 0.00 58.87 56.24 1du3 n SER 215 Cb 0.00 -1.00 -0.12 0.00 -0.26 0.00 0.00 64.21 62.83 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 3.39 -0.38 0.30 7.33 5.04 -1.26 -5.07 117.35 126.70 1du3 s TYR 216 Ca 0.35 0.89 0.02 0.00 -2.44 0.00 0.00 57.07 55.89 1du3 s TYR 216 Cb 0.10 0.12 0.73 0.00 0.35 0.00 0.00 41.96 43.25 1du3 s TYR 216 CO -0.03 -0.23 1.50 -2.30 -1.34 0.00 0.00 175.55 173.15 1du3 n PRO 217 N 3.78 -0.08 -4.11 4.97 -0.02 -1.26 -4.69 135.00 133.59 1du3 n PRO 217 Ca -0.21 1.44 -0.24 0.00 -2.02 0.00 0.00 63.50 62.47 1du3 n PRO 217 Cb 0.55 -2.28 -0.05 0.00 -0.02 0.00 0.00 33.50 31.70 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 -5.01 5.49 0.36 2.55 1.01 -1.26 -5.09 116.67 114.72 1du3 s ASP 218 Ca -0.12 -0.21 -0.27 0.00 0.71 0.00 0.00 52.55 52.66 1du3 s ASP 218 Cb 0.28 -1.40 -0.09 0.00 1.01 0.00 0.00 42.92 42.71 1du3 s ASP 218 CO 0.75 0.01 1.28 -2.16 0.21 0.00 0.00 175.17 175.26 1du3 s PRO 219 N -3.48 4.20 -0.21 8.23 0.04 -1.26 -4.80 135.00 137.73 1du3 s PRO 219 Ca 0.32 2.12 -0.02 0.00 0.04 0.00 0.00 61.00 63.46 1du3 s PRO 219 Cb -0.09 -2.92 0.00 0.00 0.04 0.00 0.00 34.50 31.54 1du3 s PRO 219 CO 0.24 -0.29 -0.10 0.42 0.04 0.00 0.00 177.00 177.31 1du3 s ILE 220 N -1.22 2.86 0.27 0.56 1.01 -0.40 -4.88 121.20 119.40 1du3 s ILE 220 Ca 0.52 -0.68 -0.30 0.00 0.00 0.00 0.00 60.65 60.20 1du3 s ILE 220 Cb -0.38 -2.27 -0.10 0.00 0.01 0.00 0.00 42.46 39.72 1du3 s ILE 220 CO 0.49 0.46 1.34 -0.22 0.00 0.00 0.00 174.94 177.02 1du3 s LEU 221 N 1.40 4.41 -0.15 2.97 2.96 -1.26 -1.05 118.68 127.96 1du3 s LEU 221 Ca 0.05 2.59 -0.10 0.00 -0.22 0.00 0.00 54.13 56.46 1du3 s LEU 221 Cb -0.14 -3.63 -0.07 0.00 0.50 0.00 0.00 46.19 42.86 1du3 s LEU 221 CO -0.07 -0.57 -0.23 0.18 -1.32 0.00 0.00 176.35 174.34 1du3 n LEU 222 N 1.81 1.36 -3.90 -0.68 4.77 0.05 -4.93 117.00 115.48 1du3 n LEU 222 Ca 0.04 0.23 -0.10 0.00 -0.03 0.00 0.00 56.01 56.15 1du3 n LEU 222 Cb 0.42 -0.55 -0.09 0.00 -2.33 0.00 0.00 43.42 40.87 1du3 n LEU 222 CO 0.59 0.15 -0.18 -0.04 -1.33 0.00 0.00 177.39 176.58 1du3 s MET 223 N -2.40 0.59 0.00 3.23 -1.94 -1.05 -5.02 119.30 112.72 1du3 s MET 223 Ca -0.23 -0.65 -0.00 0.00 -1.71 0.00 0.00 55.69 53.09 1du3 s MET 223 Cb 0.08 0.24 -0.01 0.00 2.01 0.00 0.00 34.83 37.15 1du3 s MET 223 CO 0.30 -0.15 0.00 -1.59 -0.01 0.00 0.00 175.02 173.57 1du3 s LYS 224 N -2.33 0.11 -0.03 2.03 -2.85 -1.26 -1.80 119.74 113.60 1du3 s LYS 224 Ca -0.07 -0.18 0.02 0.00 -1.00 0.00 0.00 55.97 54.73 1du3 s LYS 224 Cb -0.03 0.04 0.01 0.00 -2.06 0.00 0.00 37.83 35.80 1du3 s LYS 224 CO -0.03 -0.02 -0.06 0.45 0.10 0.00 0.00 175.35 175.79 1du3 s SER 225 N -0.46 0.97 -0.03 0.03 0.15 -0.74 -5.00 113.70 108.62 1du3 s SER 225 Ca -0.05 -0.14 -0.03 0.00 0.70 0.00 0.00 55.95 56.43 1du3 s SER 225 Cb -0.03 -0.35 0.01 0.00 -1.71 0.00 0.00 66.02 63.94 1du3 s SER 225 CO -0.00 0.01 0.08 0.00 1.20 0.00 0.00 173.24 174.52 1du3 s ALA 226 N 0.49 -0.19 0.27 5.45 0.00 -1.26 -1.43 121.76 125.09 1du3 s ALA 226 Ca -0.07 0.17 0.05 0.00 0.00 0.00 0.00 51.96 52.12 1du3 s ALA 226 Cb -0.10 -0.11 -0.06 0.00 0.00 0.00 0.00 23.12 22.85 1du3 s ALA 226 CO 0.00 -0.05 -0.02 1.03 0.00 0.00 0.00 175.76 176.73 1du3 s ARG 227 N -0.09 1.50 0.14 0.00 1.81 -0.15 -5.02 118.95 117.14 1du3 s ARG 227 Ca -0.01 -1.78 0.07 0.00 -1.72 0.00 0.00 55.73 52.29 1du3 s ARG 227 Cb -0.01 -0.93 -0.04 0.00 -0.45 0.00 0.00 34.95 33.52 1du3 s ARG 227 CO 0.00 -0.05 -0.16 0.54 -0.68 0.00 0.00 175.30 174.95 1du3 s ASN 228 N -3.41 2.26 0.73 0.23 2.20 -1.26 -1.86 114.94 113.83 1du3 s ASN 228 Ca 0.31 -0.82 -0.11 0.00 -0.94 0.00 0.00 52.86 51.29 1du3 s ASN 228 Cb 0.05 -0.10 0.03 0.00 -2.00 0.00 0.00 41.25 39.23 1du3 s ASN 228 CO 0.12 -0.10 1.08 -0.94 -2.94 0.00 0.00 177.10 174.32 1du3 s SER 229 N -2.50 5.15 0.49 3.54 1.04 -0.94 -4.97 113.70 115.51 1du3 s SER 229 Ca 0.11 1.31 -0.23 0.00 0.48 0.00 0.00 55.95 57.62 1du3 s SER 229 Cb -0.05 -2.12 -0.06 0.00 0.10 0.00 0.00 66.02 63.88 1du3 s SER 229 CO 0.04 -1.55 1.26 0.00 0.98 0.00 0.00 173.24 173.97 1du3 n TRP 231 N -0.68 0.00 -1.95 0.00 7.02 -1.26 -4.92 117.44 115.65 1du3 n TRP 231 Ca 0.08 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.14 1du3 n TRP 231 Cb 0.46 -0.10 -0.03 0.00 -2.42 0.00 0.00 31.31 29.23 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 -2.47 6.63 0.15 -0.99 0.15 -1.26 -4.85 113.70 111.06 1du3 s SER 232 Ca 0.24 2.32 0.11 0.00 0.70 0.00 0.00 55.95 59.32 1du3 s SER 232 Cb 0.19 -2.53 0.59 0.00 -1.71 0.00 0.00 66.02 62.56 1du3 s SER 232 CO 0.52 -0.95 1.34 2.29 1.20 0.00 0.00 173.24 177.65 1du3 n LYS 233 N 7.15 0.07 0.00 5.44 2.85 -1.26 -0.34 118.16 132.07 1du3 n LYS 233 Ca 0.18 0.54 0.14 0.00 -1.05 0.00 0.00 58.31 58.12 1du3 n LYS 233 Cb 0.42 -1.72 0.59 0.00 -0.65 0.00 0.00 35.03 33.67 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 -1.87 0.63 -4.72 -5.58 8.00 -1.26 -4.89 116.55 106.85 1du3 n ASP 234 Ca -0.00 -0.74 -0.42 0.00 0.71 0.00 0.00 54.79 54.33 1du3 n ASP 234 Cb 0.03 -0.03 -0.03 0.00 -0.02 0.00 0.00 41.12 41.08 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 -2.40 3.81 -0.22 2.24 0.00 0.53 -4.90 121.76 120.82 1du3 s ALA 235 Ca 0.30 1.45 0.00 0.00 0.00 0.00 0.00 51.96 53.72 1du3 s ALA 235 Cb 0.20 -3.64 -0.14 0.00 0.00 0.00 0.00 23.12 19.54 1du3 s ALA 235 CO 0.46 -0.84 -0.20 0.39 0.00 0.00 0.00 175.76 175.57 1du3 n GLU 236 N 3.60 0.54 -4.15 0.00 1.02 -1.26 -4.78 120.64 115.60 1du3 n GLU 236 Ca 0.13 0.14 -0.16 0.00 -0.02 0.00 0.00 57.16 57.25 1du3 n GLU 236 Cb 0.38 -1.42 -0.06 0.00 -0.02 0.00 0.00 31.44 30.31 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 -2.43 1.26 -0.10 -0.32 -0.85 -1.26 -2.80 117.35 110.85 1du3 s TYR 237 Ca -0.30 -1.40 -0.08 0.00 -0.52 0.00 0.00 57.07 54.77 1du3 s TYR 237 Cb 0.08 -0.30 0.03 0.00 0.38 0.00 0.00 41.96 42.15 1du3 s TYR 237 CO 0.49 -1.02 0.25 0.20 -1.52 0.00 0.00 175.55 173.95 1du3 s GLY 238 N -3.27 -0.18 -0.18 5.49 0.00 -0.12 -4.87 107.32 104.19 1du3 s GLY 238 Ca 0.34 0.75 -0.01 0.00 0.00 0.00 0.00 44.72 45.79 1du3 s GLY 238 CO 0.22 0.69 -0.01 1.08 0.00 0.00 0.00 173.10 175.08 1du3 s LEU 239 N 0.27 1.51 -0.42 0.66 1.43 -1.26 -1.99 118.68 118.87 1du3 s LEU 239 Ca -0.01 -0.78 0.02 0.00 -1.03 0.00 0.00 54.13 52.33 1du3 s LEU 239 Cb -0.03 -0.78 0.15 0.00 0.03 0.00 0.00 46.19 45.56 1du3 s LEU 239 CO -0.01 -0.25 0.28 -0.31 0.23 0.00 0.00 176.35 176.29 1du3 s TYR 240 N 1.72 1.46 0.12 0.29 1.51 0.16 -5.01 117.35 117.60 1du3 s TYR 240 Ca -0.01 -2.21 -0.30 0.00 -1.01 0.00 0.00 57.07 53.54 1du3 s TYR 240 Cb -0.16 -1.38 -0.06 0.00 -0.11 0.00 0.00 41.96 40.24 1du3 s TYR 240 CO -0.07 -0.79 1.09 -1.12 -1.11 0.00 0.00 175.55 173.55 1du3 s SER 241 N 0.37 7.26 -0.17 2.29 0.01 -1.26 -2.14 113.70 120.05 1du3 s SER 241 Ca 0.22 1.98 0.01 0.00 1.31 0.00 0.00 55.95 59.48 1du3 s SER 241 Cb -0.15 -2.59 0.02 0.00 0.21 0.00 0.00 66.02 63.51 1du3 s SER 241 CO -0.06 -0.27 -0.19 -0.63 0.41 0.00 0.00 173.24 172.50 1du3 s ILE 242 N 0.27 1.96 0.11 1.44 1.01 0.13 -4.97 121.20 121.15 1du3 s ILE 242 Ca 0.52 -0.89 0.10 0.00 0.00 0.00 0.00 60.65 60.38 1du3 s ILE 242 Cb -0.28 -1.79 -0.04 0.00 0.01 0.00 0.00 42.46 40.37 1du3 s ILE 242 CO 0.32 0.51 -0.26 -0.47 0.00 0.00 0.00 174.94 175.05 1du3 s TYR 243 N 1.33 2.21 -0.20 3.97 6.14 -1.26 -1.41 117.35 128.12 1du3 s TYR 243 Ca 0.05 -0.39 -0.27 0.00 0.64 0.00 0.00 57.07 57.09 1du3 s TYR 243 Cb -0.13 -1.21 0.09 0.00 0.42 0.00 0.00 41.96 41.12 1du3 s TYR 243 CO -0.12 0.29 0.81 1.14 0.64 0.00 0.00 175.55 178.30 1du3 s GLN 244 N -1.92 0.80 0.22 4.97 -2.07 -1.13 -5.01 119.66 115.51 1du3 s GLN 244 Ca 0.12 0.60 -0.10 0.00 -1.82 0.00 0.00 55.36 54.16 1du3 s GLN 244 Cb -0.10 0.38 -0.01 0.00 -1.09 0.00 0.00 33.01 32.19 1du3 s GLN 244 CO 0.05 -0.17 0.38 0.20 -1.32 0.00 0.00 175.29 174.44 1du3 s GLY 245 N -0.27 0.62 0.00 2.60 0.00 -1.26 -1.80 107.32 107.21 1du3 s GLY 245 Ca -0.03 -0.97 0.00 0.00 0.00 0.00 0.00 44.72 43.73 1du3 s GLY 245 CO 0.02 -0.77 0.00 0.61 0.00 0.00 0.00 173.10 172.96 1du3 n GLY 246 N -0.32 1.70 3.82 0.20 0.00 -0.60 -4.95 105.19 105.03 1du3 n GLY 246 Ca -0.03 -0.66 -0.36 0.00 0.00 0.00 0.00 46.02 44.97 1du3 n GLY 246 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1du3 s ILE 247 N -2.00 5.43 0.02 -0.61 1.01 -1.25 -0.13 121.20 123.66 1du3 s ILE 247 Ca 0.00 0.19 -0.04 0.00 0.00 0.00 0.00 60.65 60.79 1du3 s ILE 247 Cb 0.00 -3.40 -0.01 0.00 0.01 0.00 0.00 42.46 39.06 1du3 s ILE 247 CO 0.00 0.55 0.07 -0.36 0.00 0.00 0.00 174.94 175.20 1du3 s PHE 248 N -0.52 0.15 -0.00 3.97 0.40 -0.65 -4.92 117.98 116.41 1du3 s PHE 248 Ca 0.12 -0.35 -0.22 0.00 -0.60 0.00 0.00 56.93 55.88 1du3 s PHE 248 Cb -0.12 -0.12 -0.05 0.00 0.51 0.00 0.00 43.02 43.24 1du3 s PHE 248 CO 0.02 -0.26 0.65 -2.00 0.70 0.00 0.00 175.22 174.33 1du3 s GLU 249 N -1.63 4.38 0.04 0.44 2.12 -1.26 -1.43 118.70 121.36 1du3 s GLU 249 Ca -0.14 0.83 0.04 0.00 0.36 0.00 0.00 54.97 56.07 1du3 s GLU 249 Cb -0.07 -3.37 -0.02 0.00 0.26 0.00 0.00 34.13 30.93 1du3 s GLU 249 CO -0.00 0.29 -0.11 -0.51 -0.54 0.00 0.00 175.26 174.39 1du3 s LEU 250 N 0.02 2.20 0.25 2.70 1.43 -0.86 -5.00 118.68 119.42 1du3 s LEU 250 Ca 0.34 -0.47 0.07 0.00 -1.03 0.00 0.00 54.13 53.04 1du3 s LEU 250 Cb -0.19 -0.42 -0.04 0.00 0.03 0.00 0.00 46.19 45.57 1du3 s LEU 250 CO 0.19 -0.05 0.19 -1.59 0.23 0.00 0.00 176.35 175.32 1du3 s LYS 251 N -1.26 2.91 0.28 1.70 -2.85 -1.26 -2.15 119.74 117.11 1du3 s LYS 251 Ca -0.02 -1.05 -0.29 0.00 -1.00 0.00 0.00 55.97 53.61 1du3 s LYS 251 Cb -0.08 -2.56 -0.14 0.00 -2.06 0.00 0.00 37.83 32.99 1du3 s LYS 251 CO 0.01 0.41 1.04 -1.91 0.10 0.00 0.00 175.35 175.00 1du3 n GLU 252 N -1.12 1.36 -1.32 1.78 2.13 -1.26 -0.84 120.64 121.36 1du3 n GLU 252 Ca -0.08 0.48 -0.11 0.00 0.66 0.00 0.00 57.16 58.11 1du3 n GLU 252 Cb 0.58 -1.87 -0.05 0.00 0.27 0.00 0.00 31.44 30.37 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 1.33 -4.50 -4.88 4.31 3.02 0.59 -4.98 115.26 110.15 1du3 n ASN 253 Ca 0.10 0.27 -0.30 0.00 -0.03 0.00 0.00 54.58 54.62 1du3 n ASN 253 Cb 0.31 -2.96 -0.02 0.00 -0.61 0.00 0.00 39.78 36.50 1du3 n ASN 253 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1du3 s ASP 254 N -2.77 6.47 -0.04 6.41 1.11 -0.02 -4.82 116.67 122.99 1du3 s ASP 254 Ca 0.00 1.14 0.03 0.00 0.18 0.00 0.00 52.55 53.90 1du3 s ASP 254 Cb 0.00 -2.33 0.01 0.00 1.07 0.00 0.00 42.92 41.67 1du3 s ASP 254 CO 0.00 -0.47 -0.12 -0.13 1.18 0.00 0.00 175.17 175.63 1du3 s ARG 255 N -4.09 1.39 0.00 8.23 0.52 0.14 -1.54 118.95 123.61 1du3 s ARG 255 Ca 0.51 -0.40 0.07 0.00 -0.52 0.00 0.00 55.73 55.39 1du3 s ARG 255 Cb -0.10 -1.22 -0.03 0.00 0.52 0.00 0.00 34.95 34.13 1du3 s ARG 255 CO 0.35 0.11 -0.21 0.96 0.02 0.00 0.00 175.30 176.52 1du3 s ILE 256 N 0.35 2.48 0.19 1.52 -4.36 -0.26 0.13 121.20 121.25 1du3 s ILE 256 Ca -0.07 -1.11 -0.11 0.00 -0.26 0.00 0.00 60.65 59.10 1du3 s ILE 256 Cb -0.12 -1.96 -0.00 0.00 1.25 0.00 0.00 42.46 41.63 1du3 s ILE 256 CO 0.02 0.47 0.36 0.72 0.24 0.00 0.00 174.94 176.75 1du3 s PHE 257 N -0.76 0.34 0.18 1.37 -0.71 -0.93 -0.56 117.98 116.91 1du3 s PHE 257 Ca 0.12 -0.70 0.09 0.00 -1.04 0.00 0.00 56.93 55.40 1du3 s PHE 257 Cb -0.10 0.05 -0.04 0.00 -1.21 0.00 0.00 43.02 41.71 1du3 s PHE 257 CO 0.02 -0.81 -0.08 0.08 -1.34 0.00 0.00 175.22 173.09 1du3 s VAL 258 N -3.97 3.30 -0.07 -2.49 1.01 -1.26 -1.54 120.40 115.38 1du3 s VAL 258 Ca 0.18 -1.60 -0.17 0.00 0.00 0.00 0.00 61.98 60.39 1du3 s VAL 258 Cb 0.02 -2.64 0.04 0.00 0.00 0.00 0.00 36.38 33.80 1du3 s VAL 258 CO 0.02 -0.11 0.40 -0.55 0.00 0.00 0.00 175.10 174.87 1du3 s SER 259 N -2.84 -0.35 0.13 3.32 0.15 0.70 -1.69 113.70 113.11 1du3 s SER 259 Ca 0.25 0.45 -0.03 0.00 0.70 0.00 0.00 55.95 57.33 1du3 s SER 259 Cb -0.09 0.55 -0.03 0.00 -1.71 0.00 0.00 66.02 64.73 1du3 s SER 259 CO 0.16 -0.36 0.09 0.68 1.20 0.00 0.00 173.24 175.01 1du3 s VAL 260 N -0.75 0.11 0.41 4.45 -7.23 0.10 0.12 120.40 117.61 1du3 s VAL 260 Ca -0.08 -1.78 0.08 0.00 -1.81 0.00 0.00 61.98 58.38 1du3 s VAL 260 Cb -0.04 -1.92 0.01 0.00 0.56 0.00 0.00 36.38 34.99 1du3 s VAL 260 CO 0.04 -0.50 0.56 0.42 -0.31 0.00 0.00 175.10 175.31 1du3 s THR 261 N -4.01 3.15 -1.61 5.32 -4.23 -0.92 -0.40 115.64 112.94 1du3 s THR 261 Ca 0.20 -0.99 -0.10 0.00 -1.18 0.00 0.00 61.69 59.62 1du3 s THR 261 Cb 0.07 -3.06 0.09 0.00 1.34 0.00 0.00 72.50 70.94 1du3 s THR 261 CO -0.00 -0.02 0.47 0.59 -0.54 0.00 0.00 174.62 175.12 1du3 n ASN 262 N -1.83 -1.25 0.28 3.99 3.02 -1.26 -4.58 115.26 113.63 1du3 n ASN 262 Ca 0.07 -1.11 0.18 0.00 -0.03 0.00 0.00 54.58 53.69 1du3 n ASN 262 Cb 0.59 -2.41 0.90 0.00 -0.61 0.00 0.00 39.78 38.24 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 -1.57 0.00 0.00 3.52 4.11 -1.93 0.19 114.58 118.90 1du3 h GLU 263 Ca -0.62 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.81 1du3 h GLU 263 Cb 1.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.64 1du3 h GLU 263 CO 0.74 0.00 0.00 -2.39 0.07 0.00 0.00 179.01 177.43 1du3 n HIS 264 N -3.21 0.00 0.12 2.06 1.44 -1.26 -2.06 115.22 112.30 1du3 n HIS 264 Ca -0.00 0.00 0.01 0.00 -2.01 0.00 0.00 57.72 55.72 1du3 n HIS 264 Cb 0.33 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.44 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 -0.55 0.49 -4.75 2.39 4.77 0.05 -5.02 117.00 114.38 1du3 n LEU 265 Ca 0.02 -0.67 -0.41 0.00 -0.03 0.00 0.00 56.01 54.93 1du3 n LEU 265 Cb 0.01 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.06 1du3 n LEU 265 CO 0.02 0.11 0.86 -0.63 -1.33 0.00 0.00 177.39 176.42 1du3 s ILE 266 N -0.90 3.44 -0.35 -0.08 -1.09 -0.88 -1.36 121.20 119.99 1du3 s ILE 266 Ca 0.02 1.31 -0.13 0.00 -2.23 0.00 0.00 60.65 59.62 1du3 s ILE 266 Cb 0.02 -3.84 -0.01 0.00 -1.58 0.00 0.00 42.46 37.05 1du3 s ILE 266 CO 0.08 0.26 0.24 -0.62 -1.23 0.00 0.00 174.94 173.66 1du3 s ASP 267 N -0.28 6.00 -0.34 3.58 -1.08 -0.06 -4.90 116.67 119.60 1du3 s ASP 267 Ca 0.50 -0.51 0.08 0.00 -0.52 0.00 0.00 52.55 52.09 1du3 s ASP 267 Cb -0.33 -2.12 0.70 0.00 -1.46 0.00 0.00 42.92 39.71 1du3 s ASP 267 CO 0.40 -0.26 1.80 0.23 0.52 0.00 0.00 175.17 177.85 1du3 n MET 268 N 5.10 3.32 -2.17 4.34 2.81 -1.26 -4.27 117.12 124.98 1du3 n MET 268 Ca -0.13 -2.93 -0.38 0.00 -1.81 0.00 0.00 57.70 52.45 1du3 n MET 268 Cb 0.49 -2.17 -0.01 0.00 -0.71 0.00 0.00 33.22 30.82 1du3 n MET 268 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1du3 s ASP 269 N -0.99 6.26 0.27 7.83 1.01 -1.26 -2.55 116.67 127.24 1du3 s ASP 269 Ca 0.53 2.46 0.17 0.00 0.71 0.00 0.00 52.55 56.42 1du3 s ASP 269 Cb 0.43 -2.62 0.91 0.00 1.01 0.00 0.00 42.92 42.65 1du3 s ASP 269 CO 0.13 -0.87 1.48 0.00 0.21 0.00 0.00 175.17 176.12 1du3 n HIS 270 N -0.16 0.57 0.80 4.23 1.44 -1.15 -1.46 115.22 119.49 1du3 n HIS 270 Ca 0.05 0.30 0.09 0.00 -2.01 0.00 0.00 57.72 56.15 1du3 n HIS 270 Cb 0.46 -0.93 -0.11 0.00 0.12 0.00 0.00 29.99 29.53 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 -2.09 0.64 -0.00 -1.40 4.71 -1.26 -4.46 120.64 116.77 1du3 n GLU 271 Ca -0.01 -0.02 -0.15 0.00 -0.01 0.00 0.00 57.16 56.97 1du3 n GLU 271 Cb 0.09 -1.41 -0.14 0.00 -1.01 0.00 0.00 31.44 28.97 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 2.61 0.58 -3.47 0.62 0.00 -1.57 -3.47 119.26 114.57 1du3 h ALA 272 Ca 0.00 -1.40 -0.36 0.00 0.00 0.00 0.00 54.91 53.15 1du3 h ALA 272 Cb 0.51 0.56 -0.34 0.00 0.00 0.00 0.00 17.79 18.52 1du3 h ALA 272 CO 0.00 1.43 -0.75 -1.12 0.00 0.00 0.00 179.25 178.81 1du3 s SER 273 N -6.59 0.61 0.16 0.00 0.01 -1.16 -3.84 113.70 102.89 1du3 s SER 273 Ca -0.13 -0.05 0.01 0.00 1.31 0.00 0.00 55.95 57.09 1du3 s SER 273 Cb 0.07 -0.28 -0.00 0.00 0.21 0.00 0.00 66.02 66.03 1du3 s SER 273 CO 0.80 -0.10 0.20 2.22 0.41 0.00 0.00 173.24 176.78 1du3 n PHE 274 N 4.20 -0.75 -3.64 2.43 1.16 -0.32 -0.95 117.46 119.59 1du3 n PHE 274 Ca -0.25 -1.18 -0.07 0.00 -1.87 0.00 0.00 57.45 54.08 1du3 n PHE 274 Cb 0.50 0.22 -0.07 0.00 -1.61 0.00 0.00 39.48 38.53 1du3 n PHE 274 CO 0.00 0.00 0.00 0.12 -1.87 0.00 0.00 176.76 175.01 1du3 s PHE 275 N -3.59 -0.86 0.24 2.97 5.36 0.54 -2.56 117.98 120.08 1du3 s PHE 275 Ca 0.15 1.80 -0.15 0.00 -0.96 0.00 0.00 56.93 57.77 1du3 s PHE 275 Cb -0.00 0.49 0.06 0.00 -0.34 0.00 0.00 43.02 43.22 1du3 s PHE 275 CO 0.11 -0.42 0.77 0.41 -1.46 0.00 0.00 175.22 174.63 1du3 n GLY 276 N 3.72 0.92 3.53 13.12 0.00 -0.70 -0.77 105.19 125.01 1du3 n GLY 276 Ca -0.18 -1.16 -0.07 0.00 0.00 0.00 0.00 46.02 44.60 1du3 n GLY 276 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1du3 s ALA 277 N -1.89 -1.89 0.08 4.61 0.00 -0.10 -1.38 121.76 121.18 1du3 s ALA 277 Ca 0.16 1.16 -0.13 0.00 0.00 0.00 0.00 51.96 53.16 1du3 s ALA 277 Cb -0.03 0.27 0.02 0.00 0.00 0.00 0.00 23.12 23.37 1du3 s ALA 277 CO 0.07 -0.67 0.30 -0.59 0.00 0.00 0.00 175.76 174.88 1du3 s PHE 278 N -2.92 -0.07 0.94 0.00 -0.12 0.13 -0.88 117.98 115.07 1du3 s PHE 278 Ca 0.06 -0.20 -0.12 0.00 -0.05 0.00 0.00 56.93 56.62 1du3 s PHE 278 Cb -0.01 0.11 0.15 0.00 -0.63 0.00 0.00 43.02 42.64 1du3 s PHE 278 CO -0.08 -0.58 1.10 -1.17 -0.05 0.00 0.00 175.22 174.44 1du3 s LEU 279 N -2.51 1.97 0.00 -1.99 2.96 -0.89 -0.49 118.68 117.73 1du3 s LEU 279 Ca 0.00 1.29 0.00 0.00 -0.22 0.00 0.00 54.13 55.20 1du3 s LEU 279 Cb 0.02 -3.62 0.00 0.00 0.50 0.00 0.00 46.19 43.09 1du3 s LEU 279 CO -0.08 -2.80 0.20 1.33 -1.32 0.00 0.00 176.35 173.68 1du3 n VAL 280 N -3.97 0.00 0.00 1.68 0.24 -0.90 -4.70 118.33 110.69 1du3 n VAL 280 Ca 0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.36 1du3 n VAL 280 Cb 0.57 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.94 1du3 n VAL 280 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30