#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k2m h LEU 141 N 0.00 0.57 -2.76 2.46 3.38 -1.99 -1.10 115.31 115.86 3k2m h LEU 141 Ca 0.00 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3k2m h LEU 141 Cb 0.00 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 3k2m h LEU 141 CO 0.00 0.30 0.02 -0.33 0.09 0.00 0.00 178.44 178.52 3k2m h GLU 142 N 0.61 0.00 0.00 1.13 3.07 -2.03 -1.29 114.58 116.07 3k2m h GLU 142 Ca 0.41 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 59.26 3k2m h GLU 142 Cb 0.70 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.61 3k2m h GLU 142 CO -0.16 0.00 -0.01 1.57 -1.40 0.00 0.00 179.01 179.01 3k2m h LYS 143 N 0.00 0.00 -6.24 2.33 2.10 -1.54 -3.43 116.57 109.79 3k2m h LYS 143 Ca 0.00 0.00 -0.55 0.00 -2.00 0.00 0.00 60.65 58.10 3k2m h LYS 143 Cb 0.04 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.33 3k2m h LYS 143 CO -0.00 0.01 0.19 -1.01 -2.00 0.00 0.00 179.45 176.64 3k2m s HIS 144 N -4.78 3.66 0.49 0.07 3.76 -0.49 -4.93 115.29 113.08 3k2m s HIS 144 Ca -0.05 1.45 0.30 0.00 -0.15 0.00 0.00 55.06 56.61 3k2m s HIS 144 Cb 0.16 -2.89 1.67 0.00 1.11 0.00 0.00 32.58 32.63 3k2m s HIS 144 CO 0.60 0.14 2.16 0.77 -0.85 0.00 0.00 174.74 177.56 3k2m h SER 145 N 6.31 0.00 1.09 1.40 0.02 -1.88 -2.18 113.55 118.32 3k2m h SER 145 Ca -0.42 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 3k2m h SER 145 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 3k2m h SER 145 CO 0.73 0.06 0.00 -2.67 -1.14 0.00 0.00 176.83 173.82 3k2m n TRP 146 N -3.66 0.44 -3.43 3.45 4.27 -1.26 -4.56 117.44 112.70 3k2m n TRP 146 Ca -0.02 0.14 -0.44 0.00 -3.89 0.00 0.00 57.50 53.29 3k2m n TRP 146 Cb 0.17 -0.73 -0.07 0.00 -1.36 0.00 0.00 31.31 29.32 3k2m n TRP 146 CO 0.00 0.00 0.00 -0.47 -2.29 0.00 0.00 177.69 174.93 3k2m s TYR 147 N -3.07 3.28 -1.79 -2.67 5.04 -0.82 0.03 117.35 117.35 3k2m s TYR 147 Ca 0.11 -1.24 0.23 0.00 -2.44 0.00 0.00 57.07 53.73 3k2m s TYR 147 Cb 0.14 -3.33 0.11 0.00 0.35 0.00 0.00 41.96 39.23 3k2m s TYR 147 CO 0.51 -0.89 1.15 0.72 -1.34 0.00 0.00 175.55 175.71 3k2m n HIS 148 N 5.13 0.00 -4.74 4.97 8.25 0.05 -4.74 115.22 124.14 3k2m n HIS 148 Ca -0.12 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.34 3k2m n HIS 148 Cb 0.42 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.50 3k2m n HIS 148 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3k2m n GLY 149 N 1.42 1.64 3.56 -1.41 0.00 -1.23 -4.43 105.19 104.74 3k2m n GLY 149 Ca 0.09 -0.60 -0.38 0.00 0.00 0.00 0.00 46.02 45.13 3k2m n GLY 149 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3k2m s PRO 150 N 0.00 3.19 0.08 1.61 0.04 -1.26 -1.19 135.00 137.47 3k2m s PRO 150 Ca 0.00 -0.58 0.07 0.00 0.04 0.00 0.00 61.00 60.53 3k2m s PRO 150 Cb 0.00 -4.94 -0.03 0.00 0.04 0.00 0.00 34.50 29.57 3k2m s PRO 150 CO 0.00 -2.49 -0.20 0.14 0.04 0.00 0.00 177.00 174.50 3k2m s VAL 151 N 6.60 1.59 0.76 -0.36 -7.23 -1.26 -4.95 120.40 115.55 3k2m s VAL 151 Ca 0.51 -1.40 -0.12 0.00 -1.81 0.00 0.00 61.98 59.16 3k2m s VAL 151 Cb -0.04 -1.43 0.05 0.00 0.56 0.00 0.00 36.38 35.51 3k2m s VAL 151 CO 0.01 -0.02 1.11 -0.94 -0.31 0.00 0.00 175.10 174.95 3k2m s SER 152 N -1.67 4.87 0.18 4.85 1.04 -1.26 -4.59 113.70 117.13 3k2m s SER 152 Ca 0.05 1.13 -0.13 0.00 0.48 0.00 0.00 55.95 57.48 3k2m s SER 152 Cb -0.10 -1.85 0.18 0.00 0.10 0.00 0.00 66.02 64.35 3k2m s SER 152 CO 0.03 -1.71 1.72 -0.09 0.98 0.00 0.00 173.24 174.17 3k2m h ARG 153 N -0.91 0.24 -0.64 4.02 2.43 -1.99 0.63 114.38 118.15 3k2m h ARG 153 Ca -0.46 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 58.61 3k2m h ARG 153 Cb 1.27 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.75 3k2m h ARG 153 CO 0.62 0.16 0.07 -0.91 -1.51 0.00 0.00 179.97 178.41 3k2m h ASN 154 N 0.24 1.04 -0.98 -3.80 2.35 -2.01 -2.46 115.58 109.96 3k2m h ASN 154 Ca 0.24 -0.27 0.04 0.00 -0.55 0.00 0.00 56.30 55.76 3k2m h ASN 154 Cb 0.31 -0.28 -0.06 0.00 0.05 0.00 0.00 38.32 38.35 3k2m h ASN 154 CO -0.31 1.05 0.64 0.00 -1.65 0.00 0.00 177.43 177.17 3k2m h ALA 155 N 1.02 1.37 -1.00 -0.83 0.00 -1.80 -2.19 119.26 115.83 3k2m h ALA 155 Ca 0.19 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.11 3k2m h ALA 155 Cb 0.47 -0.34 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 3k2m h ALA 155 CO 0.02 0.52 0.65 0.00 0.00 0.00 0.00 179.25 180.44 3k2m h ALA 156 N 1.43 1.39 -0.72 0.00 0.00 -0.43 0.18 119.26 121.12 3k2m h ALA 156 Ca 0.39 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.32 3k2m h ALA 156 Cb 0.03 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 17.44 3k2m h ALA 156 CO -0.13 0.47 0.44 0.93 0.00 0.00 0.00 179.25 180.96 3k2m h GLU 157 N 1.20 0.80 -0.26 0.00 4.39 -1.10 -0.78 114.58 118.83 3k2m h GLU 157 Ca 0.42 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 60.06 3k2m h GLU 157 Cb 0.13 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.58 3k2m h GLU 157 CO -0.16 0.53 0.09 -0.92 -1.16 0.00 0.00 179.01 177.39 3k2m h TYR 158 N 0.82 0.40 0.00 4.33 3.20 -0.88 -2.19 116.97 122.66 3k2m h TYR 158 Ca 0.31 -0.04 -0.04 0.00 3.14 0.00 0.00 58.73 62.10 3k2m h TYR 158 Cb 0.11 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.25 3k2m h TYR 158 CO -0.05 0.43 -0.20 -0.07 -1.64 0.00 0.00 178.16 176.63 3k2m h LEU 159 N 0.25 0.00 -1.91 2.82 3.38 -0.42 -2.08 115.31 117.35 3k2m h LEU 159 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3k2m h LEU 159 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3k2m h LEU 159 CO -0.00 0.20 0.00 0.18 0.09 0.00 0.00 178.44 178.91 3k2m n LEU 160 N -4.19 2.81 -0.07 1.67 4.77 -0.32 -4.31 117.00 117.36 3k2m n LEU 160 Ca -0.02 -1.31 0.01 0.00 -0.03 0.00 0.00 56.01 54.65 3k2m n LEU 160 Cb 0.27 -0.28 0.31 0.00 -2.33 0.00 0.00 43.42 41.39 3k2m n LEU 160 CO 0.36 0.66 1.09 -1.28 -1.33 0.00 0.00 177.39 176.88 3k2m h SER 161 N 3.35 0.62 -0.21 -1.43 0.87 -0.71 -1.03 113.55 115.00 3k2m h SER 161 Ca 0.00 -0.06 -0.04 0.00 -1.23 0.00 0.00 61.79 60.47 3k2m h SER 161 Cb 0.75 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.53 3k2m h SER 161 CO 0.00 0.54 -0.03 -1.54 -0.53 0.00 0.00 176.83 175.27 3k2m n SER 162 N -4.37 3.19 -4.06 6.23 3.41 -1.26 -5.01 113.62 111.75 3k2m n SER 162 Ca 0.04 -3.21 -0.30 0.00 -0.26 0.00 0.00 58.87 55.14 3k2m n SER 162 Cb 0.13 -0.54 0.23 0.00 -0.26 0.00 0.00 64.21 63.77 3k2m n SER 162 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3k2m s GLY 163 N -2.31 1.56 0.34 5.00 0.00 -0.39 -5.11 107.32 106.41 3k2m s GLY 163 Ca 0.40 -0.75 0.03 0.00 0.00 0.00 0.00 44.72 44.40 3k2m s GLY 163 CO 0.05 0.06 0.12 0.29 0.00 0.00 0.00 173.10 173.62 3k2m n ILE 164 N -4.67 0.00 -1.63 0.90 -5.35 -1.26 -5.02 119.36 102.33 3k2m n ILE 164 Ca 0.10 -1.98 -0.48 0.00 -0.27 0.00 0.00 62.75 60.12 3k2m n ILE 164 Cb 0.59 0.70 -0.05 0.00 -1.74 0.00 0.00 39.64 39.14 3k2m n ILE 164 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 3k2m n ASN 165 N -1.60 2.32 0.00 7.28 3.02 -1.26 -1.33 115.26 123.69 3k2m n ASN 165 Ca -0.05 1.11 0.00 0.00 -0.03 0.00 0.00 54.58 55.61 3k2m n ASN 165 Cb 0.51 -1.31 0.00 0.00 -0.61 0.00 0.00 39.78 38.37 3k2m n ASN 165 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3k2m n GLY 166 N 2.78 1.14 3.77 7.41 0.00 -0.40 -4.81 105.19 115.08 3k2m n GLY 166 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 3k2m n GLY 166 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3k2m s SER 167 N -3.09 6.90 0.19 1.61 0.01 -0.44 -0.06 113.70 118.83 3k2m s SER 167 Ca 0.00 2.54 -0.18 0.00 1.31 0.00 0.00 55.95 59.62 3k2m s SER 167 Cb 0.00 -2.64 0.03 0.00 0.21 0.00 0.00 66.02 63.62 3k2m s SER 167 CO 0.00 -0.43 0.54 0.72 0.41 0.00 0.00 173.24 174.48 3k2m s PHE 168 N -1.17 -0.17 0.03 2.43 -0.71 0.10 -0.98 117.98 117.52 3k2m s PHE 168 Ca 0.48 -0.17 -0.12 0.00 -1.04 0.00 0.00 56.93 56.09 3k2m s PHE 168 Cb -0.37 0.43 0.01 0.00 -1.21 0.00 0.00 43.02 41.88 3k2m s PHE 168 CO 0.48 -0.92 0.25 -0.48 -1.34 0.00 0.00 175.22 173.21 3k2m s LEU 169 N -2.86 1.12 -0.18 -1.99 0.05 -0.52 -0.82 118.68 113.48 3k2m s LEU 169 Ca 0.08 -0.22 -0.09 0.00 0.05 0.00 0.00 54.13 53.96 3k2m s LEU 169 Cb -0.01 1.13 -0.05 0.00 -2.05 0.00 0.00 46.19 45.21 3k2m s LEU 169 CO -0.04 -0.55 0.11 -0.69 -0.55 0.00 0.00 176.35 174.64 3k2m s VAL 170 N -2.27 5.27 0.19 1.48 1.01 0.11 -0.85 120.40 125.33 3k2m s VAL 170 Ca -0.07 0.14 0.01 0.00 0.00 0.00 0.00 61.98 62.05 3k2m s VAL 170 Cb -0.02 -3.38 -0.04 0.00 0.00 0.00 0.00 36.38 32.94 3k2m s VAL 170 CO -0.02 0.48 0.06 0.00 0.00 0.00 0.00 175.10 175.62 3k2m s ARG 171 N 0.09 1.16 -0.13 2.72 1.70 0.00 -0.77 118.95 123.72 3k2m s ARG 171 Ca 0.08 -1.58 -0.23 0.00 -0.47 0.00 0.00 55.73 53.53 3k2m s ARG 171 Cb -0.11 -0.06 -0.03 0.00 -0.57 0.00 0.00 34.95 34.18 3k2m s ARG 171 CO -0.00 -0.24 0.72 -1.21 -1.08 0.00 0.00 175.30 173.48 3k2m s GLU 172 N -4.01 4.34 0.13 3.89 0.41 -0.33 -0.38 118.70 122.74 3k2m s GLU 172 Ca 0.30 0.85 -0.30 0.00 -0.41 0.00 0.00 54.97 55.41 3k2m s GLU 172 Cb 0.07 -3.52 -0.07 0.00 -1.78 0.00 0.00 34.13 28.83 3k2m s GLU 172 CO 0.07 -0.13 1.21 0.45 -0.49 0.00 0.00 175.26 176.38 3k2m s SER 173 N 1.00 7.06 0.11 -0.19 0.15 0.64 -4.20 113.70 118.27 3k2m s SER 173 Ca 0.35 2.15 0.10 0.00 0.70 0.00 0.00 55.95 59.25 3k2m s SER 173 Cb -0.17 -2.59 -0.17 0.00 -1.71 0.00 0.00 66.02 61.38 3k2m s SER 173 CO 0.14 -0.43 1.15 -0.33 1.20 0.00 0.00 173.24 174.97 3k2m h GLU 174 N 6.04 0.00 -0.13 5.44 5.08 -1.89 -3.10 114.58 126.02 3k2m h GLU 174 Ca -0.43 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 57.85 3k2m h GLU 174 Cb 1.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 3k2m h GLU 174 CO 0.78 0.77 -0.28 0.66 -1.00 0.00 0.00 179.01 179.95 3k2m h SER 175 N 0.00 0.23 -2.57 1.42 4.64 -1.98 -3.39 113.55 111.90 3k2m h SER 175 Ca -0.08 -0.07 -0.35 0.00 -0.47 0.00 0.00 61.79 60.82 3k2m h SER 175 Cb 1.75 -0.06 -0.37 0.00 -0.31 0.00 0.00 62.40 63.41 3k2m h SER 175 CO 0.10 0.51 -0.65 -0.94 -0.87 0.00 0.00 176.83 174.98 3k2m s SER 176 N -6.88 1.69 0.93 4.97 1.04 -1.24 -5.16 113.70 109.05 3k2m s SER 176 Ca -0.05 -0.41 -0.14 0.00 0.48 0.00 0.00 55.95 55.83 3k2m s SER 176 Cb 0.14 0.26 -0.02 0.00 0.10 0.00 0.00 66.02 66.51 3k2m s SER 176 CO 0.75 -0.34 0.12 -2.65 0.98 0.00 0.00 173.24 172.10 3k2m n PRO 177 N 5.31 -0.16 0.00 4.02 -0.02 -1.17 -2.27 135.00 140.71 3k2m n PRO 177 Ca -0.05 -0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.41 3k2m n PRO 177 Cb 0.49 -1.64 0.00 0.00 -0.02 0.00 0.00 33.50 32.33 3k2m n PRO 177 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k2m n GLY 178 N 2.00 0.21 3.84 -1.23 0.00 -1.26 -4.95 105.19 103.80 3k2m n GLY 178 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 3k2m n GLY 178 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3k2m s GLN 179 N 0.00 3.94 0.27 1.61 -0.21 -0.96 -4.99 119.66 119.32 3k2m s GLN 179 Ca 0.00 0.43 0.09 0.00 0.02 0.00 0.00 55.36 55.90 3k2m s GLN 179 Cb 0.00 -3.19 -0.04 0.00 1.00 0.00 0.00 33.01 30.78 3k2m s GLN 179 CO 0.00 0.66 0.08 1.03 -2.12 0.00 0.00 175.29 174.95 3k2m s ARG 180 N -1.20 2.51 0.04 2.91 0.52 -1.26 -0.26 118.95 122.21 3k2m s ARG 180 Ca 0.26 -1.31 -0.02 0.00 -0.52 0.00 0.00 55.73 54.14 3k2m s ARG 180 Cb -0.17 -2.30 -0.03 0.00 0.52 0.00 0.00 34.95 32.98 3k2m s ARG 180 CO 0.15 0.34 0.00 -1.12 0.02 0.00 0.00 175.30 174.69 3k2m s SER 181 N -3.75 0.35 -0.15 0.23 0.01 0.49 -0.95 113.70 109.93 3k2m s SER 181 Ca 0.33 -0.76 -0.04 0.00 1.31 0.00 0.00 55.95 56.78 3k2m s SER 181 Cb -0.06 0.19 -0.03 0.00 0.21 0.00 0.00 66.02 66.32 3k2m s SER 181 CO 0.22 -0.51 -0.00 -0.63 0.41 0.00 0.00 173.24 172.73 3k2m s ILE 182 N -3.02 4.24 -0.18 1.44 1.01 0.49 -0.82 121.20 124.36 3k2m s ILE 182 Ca -0.01 -0.24 -0.03 0.00 0.00 0.00 0.00 60.65 60.37 3k2m s ILE 182 Cb 0.01 -2.86 -0.02 0.00 0.01 0.00 0.00 42.46 39.61 3k2m s ILE 182 CO -0.07 0.50 -0.07 -0.44 0.00 0.00 0.00 174.94 174.87 3k2m s SER 183 N 0.14 4.36 -0.08 3.58 0.01 -0.03 -0.42 113.70 121.25 3k2m s SER 183 Ca 0.01 -0.30 0.01 0.00 1.31 0.00 0.00 55.95 56.98 3k2m s SER 183 Cb -0.13 -1.72 0.02 0.00 0.21 0.00 0.00 66.02 64.40 3k2m s SER 183 CO 0.02 0.09 -0.08 -0.22 0.41 0.00 0.00 173.24 173.46 3k2m s LEU 184 N 0.84 1.31 -0.02 2.44 2.96 0.37 -1.44 118.68 125.13 3k2m s LEU 184 Ca -0.02 -0.26 -0.20 0.00 -0.22 0.00 0.00 54.13 53.43 3k2m s LEU 184 Cb -0.15 -0.75 -0.05 0.00 0.50 0.00 0.00 46.19 45.74 3k2m s LEU 184 CO 0.01 -0.07 0.58 -0.60 -1.32 0.00 0.00 176.35 174.95 3k2m s ARG 185 N 1.28 4.31 -0.16 1.98 3.52 -0.15 -0.08 118.95 129.64 3k2m s ARG 185 Ca -0.04 0.69 -0.08 0.00 -0.13 0.00 0.00 55.73 56.18 3k2m s ARG 185 Cb -0.14 -3.35 0.06 0.00 -1.56 0.00 0.00 34.95 29.96 3k2m s ARG 185 CO -0.03 0.34 0.37 -0.47 -0.81 0.00 0.00 175.30 174.70 3k2m s TYR 186 N -0.07 -0.57 -1.52 5.12 5.04 0.17 -1.28 117.35 124.24 3k2m s TYR 186 Ca 0.30 1.21 -0.02 0.00 -2.44 0.00 0.00 57.07 56.12 3k2m s TYR 186 Cb -0.18 0.20 0.02 0.00 0.35 0.00 0.00 41.96 42.36 3k2m s TYR 186 CO 0.16 -0.35 0.24 0.39 -1.34 0.00 0.00 175.55 174.65 3k2m n GLU 187 N 4.59 -1.95 -0.33 4.97 -0.58 -1.26 -1.69 120.64 124.38 3k2m n GLU 187 Ca -0.19 0.23 0.00 0.00 -0.42 0.00 0.00 57.16 56.78 3k2m n GLU 187 Cb 0.53 -4.09 0.00 0.00 -0.57 0.00 0.00 31.44 27.31 3k2m n GLU 187 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3k2m n GLY 188 N -2.21 1.88 3.63 0.62 0.00 -1.26 -5.01 105.19 102.85 3k2m n GLY 188 Ca -0.28 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.44 3k2m n GLY 188 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3k2m s ARG 189 N -0.16 2.37 -0.15 1.61 3.52 -0.68 -5.12 118.95 120.33 3k2m s ARG 189 Ca 0.00 -0.91 -0.06 0.00 -0.13 0.00 0.00 55.73 54.63 3k2m s ARG 189 Cb 0.00 -2.43 -0.04 0.00 -1.56 0.00 0.00 34.95 30.92 3k2m s ARG 189 CO 0.00 0.53 0.05 0.08 -0.81 0.00 0.00 175.30 175.15 3k2m s VAL 190 N -1.24 4.69 -0.06 7.11 1.01 -1.26 -0.65 120.40 130.00 3k2m s VAL 190 Ca 0.23 -0.08 0.03 0.00 0.00 0.00 0.00 61.98 62.16 3k2m s VAL 190 Cb -0.11 -3.07 -0.03 0.00 0.00 0.00 0.00 36.38 33.17 3k2m s VAL 190 CO 0.15 0.51 -0.14 -0.31 0.00 0.00 0.00 175.10 175.31 3k2m s TYR 191 N -0.02 2.73 -0.15 5.22 1.51 0.88 -4.91 117.35 122.62 3k2m s TYR 191 Ca 0.05 -0.17 0.01 0.00 -1.01 0.00 0.00 57.07 55.96 3k2m s TYR 191 Cb -0.12 -1.65 0.00 0.00 -0.11 0.00 0.00 41.96 40.08 3k2m s TYR 191 CO 0.01 0.18 -0.18 -1.01 -1.11 0.00 0.00 175.55 173.45 3k2m s HIS 192 N -0.68 2.74 -0.06 2.71 3.76 -1.26 -0.48 115.29 122.02 3k2m s HIS 192 Ca 0.10 -1.12 0.06 0.00 -0.15 0.00 0.00 55.06 53.95 3k2m s HIS 192 Cb -0.11 -1.86 -0.01 0.00 1.11 0.00 0.00 32.58 31.71 3k2m s HIS 192 CO 0.01 -0.51 -0.25 0.71 -0.85 0.00 0.00 174.74 173.85 3k2m s TYR 193 N 0.78 2.45 0.14 1.40 2.02 0.44 -4.97 117.35 119.61 3k2m s TYR 193 Ca -0.07 -0.72 -0.30 0.00 -0.37 0.00 0.00 57.07 55.62 3k2m s TYR 193 Cb -0.15 -1.60 -0.07 0.00 -0.40 0.00 0.00 41.96 39.73 3k2m s TYR 193 CO -0.00 -0.21 1.21 1.03 -1.57 0.00 0.00 175.55 176.00 3k2m s ARG 194 N -0.17 4.47 -0.39 -0.62 0.52 -1.26 -0.38 118.95 121.11 3k2m s ARG 194 Ca -0.03 1.85 -0.20 0.00 -0.52 0.00 0.00 55.73 56.82 3k2m s ARG 194 Cb -0.14 -3.27 0.01 0.00 0.52 0.00 0.00 34.95 32.07 3k2m s ARG 194 CO 0.04 -0.15 0.63 0.42 0.02 0.00 0.00 175.30 176.25 3k2m s ILE 195 N 0.34 4.87 0.27 1.52 1.01 -0.12 -4.48 121.20 124.61 3k2m s ILE 195 Ca 0.55 0.35 -0.20 0.00 0.00 0.00 0.00 60.65 61.35 3k2m s ILE 195 Cb -0.32 -4.12 -0.09 0.00 0.01 0.00 0.00 42.46 37.94 3k2m s ILE 195 CO 0.34 -0.43 0.78 0.20 0.00 0.00 0.00 174.94 175.83 3k2m s ASN 196 N 1.88 7.06 -0.27 3.58 0.01 0.19 -4.34 114.94 123.06 3k2m s ASN 196 Ca 0.23 1.49 -0.06 0.00 -0.71 0.00 0.00 52.86 53.81 3k2m s ASN 196 Cb -0.14 -2.45 0.00 0.00 0.41 0.00 0.00 41.25 39.07 3k2m s ASN 196 CO 0.17 -0.04 0.04 -0.89 -1.51 0.00 0.00 177.10 174.86 3k2m s THR 197 N -1.64 3.82 0.99 1.60 2.01 -1.26 -1.66 115.64 119.49 3k2m s THR 197 Ca 0.47 -0.59 -0.12 0.00 0.31 0.00 0.00 61.69 61.76 3k2m s THR 197 Cb -0.16 -2.89 0.19 0.00 0.01 0.00 0.00 72.50 69.65 3k2m s THR 197 CO 0.21 0.21 1.08 0.00 -0.69 0.00 0.00 174.62 175.42 3k2m s ALA 198 N 1.50 0.91 0.38 7.40 0.00 0.39 -4.91 121.76 127.43 3k2m s ALA 198 Ca 0.04 -0.21 0.25 0.00 0.00 0.00 0.00 51.96 52.03 3k2m s ALA 198 Cb -0.16 -3.17 1.29 0.00 0.00 0.00 0.00 23.12 21.08 3k2m s ALA 198 CO 0.01 -2.86 2.02 0.66 0.00 0.00 0.00 175.76 175.59 3k2m h SER 199 N -1.91 0.00 -0.56 0.00 4.64 -1.99 -1.75 113.55 111.97 3k2m h SER 199 Ca -0.54 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.78 3k2m h SER 199 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 3k2m h SER 199 CO 0.55 0.16 0.00 -0.90 -0.87 0.00 0.00 176.83 175.77 3k2m n ASP 200 N -3.70 3.62 0.00 4.97 5.75 -1.26 -4.93 116.55 120.99 3k2m n ASP 200 Ca -0.02 -2.20 0.00 0.00 -0.01 0.00 0.00 54.79 52.56 3k2m n ASP 200 Cb 0.27 -0.47 0.00 0.00 -1.03 0.00 0.00 41.12 39.90 3k2m n ASP 200 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3k2m n GLY 201 N 1.19 2.93 3.74 6.12 0.00 -0.66 -5.04 105.19 113.47 3k2m n GLY 201 Ca 0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 3k2m n GLY 201 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k2m s LYS 202 N -0.66 2.59 0.05 1.61 1.02 -1.26 -4.63 119.74 118.46 3k2m s LYS 202 Ca 0.00 1.75 0.03 0.00 0.02 0.00 0.00 55.97 57.77 3k2m s LYS 202 Cb 0.00 -1.89 -0.04 0.00 -0.52 0.00 0.00 37.83 35.38 3k2m s LYS 202 CO 0.00 -1.49 0.01 -0.51 -0.92 0.00 0.00 175.35 172.44 3k2m s LEU 203 N -4.64 3.52 -0.13 3.17 1.43 0.16 -0.46 118.68 121.72 3k2m s LEU 203 Ca 0.75 -0.09 -0.29 0.00 -1.03 0.00 0.00 54.13 53.46 3k2m s LEU 203 Cb -0.29 -2.16 0.09 0.00 0.03 0.00 0.00 46.19 43.86 3k2m s LEU 203 CO 0.40 0.22 0.78 -0.72 0.23 0.00 0.00 176.35 177.25 3k2m s TYR 204 N -1.23 -0.61 -0.22 0.29 1.13 -0.67 -0.79 117.35 115.26 3k2m s TYR 204 Ca 0.24 1.17 -0.13 0.00 -1.41 0.00 0.00 57.07 56.93 3k2m s TYR 204 Cb -0.12 0.39 -0.18 0.00 -1.10 0.00 0.00 41.96 40.95 3k2m s TYR 204 CO 0.15 -0.49 0.00 0.28 -2.51 0.00 0.00 175.55 172.99 3k2m n VAL 205 N 1.28 1.57 -4.27 -3.49 0.31 -1.26 0.54 118.33 113.00 3k2m n VAL 205 Ca -0.16 -0.34 -0.34 0.00 -0.01 0.00 0.00 64.34 63.49 3k2m n VAL 205 Cb 0.57 -1.84 -0.10 0.00 -0.91 0.00 0.00 33.84 31.55 3k2m n VAL 205 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 3k2m s SER 206 N -7.04 5.24 0.37 4.52 0.15 -1.26 -4.91 113.70 110.77 3k2m s SER 206 Ca -0.32 0.06 0.10 0.00 0.70 0.00 0.00 55.95 56.49 3k2m s SER 206 Cb 0.09 -1.70 0.85 0.00 -1.71 0.00 0.00 66.02 63.55 3k2m s SER 206 CO 0.60 0.27 1.88 -1.28 1.20 0.00 0.00 173.24 175.90 3k2m h SER 207 N 5.98 0.61 0.79 5.45 0.87 -1.95 -1.41 113.55 123.90 3k2m h SER 207 Ca -0.42 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.18 3k2m h SER 207 Cb 1.19 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 63.06 3k2m h SER 207 CO 0.61 0.31 0.00 1.21 -0.53 0.00 0.00 176.83 178.44 3k2m n GLU 208 N -4.54 0.09 -3.68 2.24 2.13 -1.26 -4.52 120.64 111.10 3k2m n GLU 208 Ca 0.17 0.25 -0.30 0.00 0.66 0.00 0.00 57.16 57.94 3k2m n GLU 208 Cb 0.47 -1.65 -0.13 0.00 0.27 0.00 0.00 31.44 30.40 3k2m n GLU 208 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 3k2m s SER 209 N -3.56 3.68 0.02 4.31 0.01 -0.53 -5.11 113.70 112.53 3k2m s SER 209 Ca 0.08 -2.25 0.06 0.00 1.31 0.00 0.00 55.95 55.14 3k2m s SER 209 Cb 0.12 -0.89 -0.03 0.00 0.21 0.00 0.00 66.02 65.42 3k2m s SER 209 CO 0.39 -0.32 -0.15 -0.13 0.41 0.00 0.00 173.24 173.45 3k2m s ARG 210 N 0.85 2.24 0.08 12.44 0.52 -1.26 -4.48 118.95 129.33 3k2m s ARG 210 Ca 0.15 -0.89 0.03 0.00 -0.52 0.00 0.00 55.73 54.51 3k2m s ARG 210 Cb -0.22 -2.28 -0.03 0.00 0.52 0.00 0.00 34.95 32.93 3k2m s ARG 210 CO -0.07 0.56 -0.10 -0.06 0.02 0.00 0.00 175.30 175.65 3k2m s PHE 211 N -0.92 0.95 0.38 -0.53 0.08 0.03 -4.89 117.98 113.08 3k2m s PHE 211 Ca 0.15 -0.60 0.13 0.00 0.12 0.00 0.00 56.93 56.73 3k2m s PHE 211 Cb -0.11 -0.54 0.76 0.00 -0.57 0.00 0.00 43.02 42.57 3k2m s PHE 211 CO 0.05 -0.03 1.84 -0.91 -0.10 0.00 0.00 175.22 176.08 3k2m h ASN 212 N 3.90 0.00 -4.99 1.36 2.35 -1.92 0.48 115.58 116.75 3k2m h ASN 212 Ca -0.37 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.21 3k2m h ASN 212 Cb 1.19 0.00 -0.17 0.00 0.05 0.00 0.00 38.32 39.39 3k2m h ASN 212 CO 0.48 0.35 -0.69 0.42 -1.65 0.00 0.00 177.43 176.34 3k2m s THR 213 N -4.22 0.34 0.23 2.81 -4.23 -1.26 -4.76 115.64 104.55 3k2m s THR 213 Ca -0.03 -1.59 -0.07 0.00 -1.18 0.00 0.00 61.69 58.82 3k2m s THR 213 Cb 0.14 -1.23 0.19 0.00 1.34 0.00 0.00 72.50 72.95 3k2m s THR 213 CO 0.72 -0.81 1.85 0.25 -0.54 0.00 0.00 174.62 176.08 3k2m h LEU 214 N 3.53 0.77 -0.95 4.79 5.85 -1.96 -1.70 115.31 125.64 3k2m h LEU 214 Ca -0.34 0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.46 3k2m h LEU 214 Cb 1.17 -0.15 -0.07 0.00 0.37 0.00 0.00 40.66 41.98 3k2m h LEU 214 CO 0.58 0.51 0.60 0.00 -0.34 0.00 0.00 178.44 179.79 3k2m h ALA 215 N 1.37 1.32 -0.44 1.25 0.00 -1.99 0.33 119.26 121.10 3k2m h ALA 215 Ca 0.34 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 55.13 3k2m h ALA 215 Cb 0.13 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3k2m h ALA 215 CO -0.16 0.37 -0.16 0.93 0.00 0.00 0.00 179.25 180.23 3k2m h GLU 216 N 1.09 0.83 -0.07 0.00 5.08 -1.84 -0.97 114.58 118.70 3k2m h GLU 216 Ca 0.41 -0.31 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 3k2m h GLU 216 Cb 0.18 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 3k2m h GLU 216 CO -0.18 0.94 0.02 1.25 -1.00 0.00 0.00 179.01 180.03 3k2m h LEU 217 N 0.74 0.11 -0.35 1.33 5.85 -0.39 -1.01 115.31 121.58 3k2m h LEU 217 Ca 0.11 -0.23 0.01 0.00 0.84 0.00 0.00 57.88 58.61 3k2m h LEU 217 Cb 0.67 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.65 3k2m h LEU 217 CO 0.05 0.32 0.22 0.58 -0.34 0.00 0.00 178.44 179.27 3k2m h VAL 218 N -0.09 1.06 -0.20 1.05 2.07 -0.92 -1.88 116.25 117.34 3k2m h VAL 218 Ca 0.02 -0.15 0.05 0.00 0.82 0.00 0.00 66.70 67.44 3k2m h VAL 218 Cb 0.25 0.57 -0.05 0.00 -1.52 0.00 0.00 31.29 30.54 3k2m h VAL 218 CO 0.00 0.08 -0.13 -0.74 0.02 0.00 0.00 177.57 176.80 3k2m h HIS 219 N 0.45 -0.32 -0.10 1.57 -0.00 -1.08 -0.53 115.15 115.14 3k2m h HIS 219 Ca 0.14 0.03 0.04 0.00 -0.00 0.00 0.00 60.37 60.57 3k2m h HIS 219 Cb -0.02 0.17 -0.05 0.00 -0.00 0.00 0.00 27.41 27.51 3k2m h HIS 219 CO -0.06 -0.19 -0.23 1.25 -0.00 0.00 0.00 177.93 178.69 3k2m h HIS 220 N -0.12 -0.62 0.00 5.26 6.17 -0.99 -2.46 115.15 122.39 3k2m h HIS 220 Ca 0.12 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.22 3k2m h HIS 220 Cb 0.30 0.29 0.00 0.00 2.52 0.00 0.00 27.41 30.52 3k2m h HIS 220 CO -0.29 -0.32 0.00 0.72 0.71 0.00 0.00 177.93 178.76 3k2m n HIS 221 N -5.36 0.00 0.30 5.26 8.25 -0.72 -1.77 115.22 121.17 3k2m n HIS 221 Ca -0.03 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.55 3k2m n HIS 221 Cb 0.28 -0.19 0.20 0.00 1.12 0.00 0.00 29.99 31.40 3k2m n HIS 221 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3k2m h SER 222 N 0.00 0.00 0.00 0.41 4.64 -0.61 -0.62 113.55 117.37 3k2m h SER 222 Ca 0.00 -0.01 -0.25 0.00 -0.47 0.00 0.00 61.79 61.06 3k2m h SER 222 Cb 0.17 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.22 3k2m h SER 222 CO 0.00 0.00 -2.07 0.35 -0.87 0.00 0.00 176.83 174.24 3k2m n THR 223 N -2.88 0.94 -3.78 2.95 -2.24 -0.73 -4.56 114.28 103.98 3k2m n THR 223 Ca 0.04 -0.65 -0.13 0.00 -2.27 0.00 0.00 64.05 61.04 3k2m n THR 223 Cb 0.51 -0.46 -0.14 0.00 -2.10 0.00 0.00 70.33 68.14 3k2m n THR 223 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3k2m s VAL 224 N -2.53 -0.03 0.10 2.28 0.11 -0.98 -5.05 120.40 114.31 3k2m s VAL 224 Ca -0.08 0.11 -0.21 0.00 -2.93 0.00 0.00 61.98 58.87 3k2m s VAL 224 Cb 0.06 -0.19 -0.10 0.00 -1.53 0.00 0.00 36.38 34.62 3k2m s VAL 224 CO 0.68 0.05 1.73 0.00 -3.33 0.00 0.00 175.10 174.22 3k2m h ALA 225 N 6.75 0.16 -6.33 1.54 0.00 -1.83 -3.37 119.26 116.18 3k2m h ALA 225 Ca -0.36 -0.03 -0.46 0.00 0.00 0.00 0.00 54.91 54.06 3k2m h ALA 225 Cb 1.16 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.92 3k2m h ALA 225 CO 0.44 -0.33 -0.90 -3.47 0.00 0.00 0.00 179.25 174.99 3k2m n ASP 226 N -4.97 -2.24 0.00 0.00 2.03 -1.26 -1.99 116.55 108.12 3k2m n ASP 226 Ca -0.05 -0.98 0.00 0.00 0.52 0.00 0.00 54.79 54.28 3k2m n ASP 226 Cb 0.05 -3.34 0.00 0.00 -0.72 0.00 0.00 41.12 37.11 3k2m n ASP 226 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3k2m n GLY 227 N -1.80 2.09 3.79 0.27 0.00 -1.26 -4.60 105.19 103.66 3k2m n GLY 227 Ca -0.23 -0.32 -0.32 0.00 0.00 0.00 0.00 46.02 45.15 3k2m n GLY 227 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k2m s LEU 228 N 0.00 3.25 0.51 0.99 1.43 -0.84 -4.96 118.68 119.06 3k2m s LEU 228 Ca 0.00 1.83 0.28 0.00 -1.03 0.00 0.00 54.13 55.21 3k2m s LEU 228 Cb 0.00 -4.53 1.38 0.00 0.03 0.00 0.00 46.19 43.08 3k2m s LEU 228 CO 0.00 -1.62 2.03 -0.29 0.23 0.00 0.00 176.35 176.70 3k2m h ILE 229 N -0.39 0.52 -3.14 -0.59 2.10 -1.98 -3.46 117.51 110.56 3k2m h ILE 229 Ca -0.45 -0.62 -0.03 0.00 1.08 0.00 0.00 64.86 64.84 3k2m h ILE 229 Cb 1.23 1.42 -0.02 0.00 -1.09 0.00 0.00 36.82 38.36 3k2m h ILE 229 CO 0.54 0.13 0.20 0.28 -1.08 0.00 0.00 178.15 178.22 3k2m s THR 230 N -4.06 0.00 0.61 2.19 -1.32 -1.26 -5.07 115.64 106.73 3k2m s THR 230 Ca -0.02 -1.08 -0.13 0.00 -1.21 0.00 0.00 61.69 59.25 3k2m s THR 230 Cb 0.12 -2.62 -0.04 0.00 -1.51 0.00 0.00 72.50 68.45 3k2m s THR 230 CO 0.59 0.00 1.03 0.42 -2.21 0.00 0.00 174.62 174.45 3k2m s THR 231 N -2.84 4.42 -0.17 5.08 -4.23 -1.26 -4.66 115.64 111.98 3k2m s THR 231 Ca 0.16 0.91 -0.29 0.00 -1.18 0.00 0.00 61.69 61.29 3k2m s THR 231 Cb -0.05 -3.68 -0.01 0.00 1.34 0.00 0.00 72.50 70.11 3k2m s THR 231 CO 0.11 -0.91 1.17 -0.76 -0.54 0.00 0.00 174.62 173.69 3k2m s LEU 232 N -4.94 4.17 0.02 4.79 1.43 -0.24 -4.43 118.68 119.49 3k2m s LEU 232 Ca 0.57 1.59 -0.00 0.00 -1.03 0.00 0.00 54.13 55.27 3k2m s LEU 232 Cb -0.12 -3.54 -0.00 0.00 0.03 0.00 0.00 46.19 42.56 3k2m s LEU 232 CO 0.47 -0.70 -0.00 1.57 0.23 0.00 0.00 176.35 177.92 3k2m n HIS 233 N 6.28 0.00 -4.68 0.29 -0.00 0.91 -4.22 115.22 113.80 3k2m n HIS 233 Ca 0.13 0.00 -0.33 0.00 0.46 0.00 0.00 57.72 57.98 3k2m n HIS 233 Cb 0.46 -0.00 -0.15 0.00 -0.12 0.00 0.00 29.99 30.17 3k2m n HIS 233 CO 0.00 0.00 0.00 0.71 0.46 0.00 0.00 176.34 177.51 3k2m s TYR 234 N -1.25 2.80 0.41 1.57 1.51 -0.74 -4.98 117.35 116.67 3k2m s TYR 234 Ca -0.00 -0.77 -0.26 0.00 -1.01 0.00 0.00 57.07 55.03 3k2m s TYR 234 Cb 0.00 -1.86 -0.09 0.00 -0.11 0.00 0.00 41.96 39.90 3k2m s TYR 234 CO 0.00 -0.30 1.29 -2.14 -1.11 0.00 0.00 175.55 173.29 3k2m s PRO 235 N 0.53 3.96 0.38 -1.71 0.02 -1.26 -0.72 135.00 136.19 3k2m s PRO 235 Ca -0.09 2.12 -0.28 0.00 0.02 0.00 0.00 61.00 62.78 3k2m s PRO 235 Cb -0.16 -2.74 -0.10 0.00 0.02 0.00 0.00 34.50 31.53 3k2m s PRO 235 CO 0.04 -0.49 1.38 0.00 -0.33 0.00 0.00 177.00 177.60 3k2m s ALA 236 N -1.28 3.45 0.37 -1.55 0.00 -0.00 -4.76 121.76 117.99 3k2m s ALA 236 Ca 0.57 1.38 -0.28 0.00 0.00 0.00 0.00 51.96 53.64 3k2m s ALA 236 Cb -0.37 -3.54 -0.10 0.00 0.00 0.00 0.00 23.12 19.11 3k2m s ALA 236 CO 0.48 -0.88 1.40 -2.14 0.00 0.00 0.00 175.76 174.62 3k2m s PRO 237 N -2.06 4.14 0.23 0.00 0.02 -1.26 -4.79 135.00 131.28 3k2m s PRO 237 Ca 0.53 2.40 -0.25 0.00 0.02 0.00 0.00 61.00 63.70 3k2m s PRO 237 Cb -0.42 -2.96 -0.09 0.00 0.02 0.00 0.00 34.50 31.06 3k2m s PRO 237 CO 0.56 -0.44 0.84 0.15 -0.33 0.00 0.00 177.00 177.78 3k2m s LYS 238 N -2.04 4.57 0.00 5.54 1.02 -1.26 -4.92 119.74 122.65 3k2m s LYS 238 Ca 0.52 1.20 0.00 0.00 0.02 0.00 0.00 55.97 57.72 3k2m s LYS 238 Cb -0.43 -3.08 0.00 0.00 -0.52 0.00 0.00 37.83 33.80 3k2m s LYS 238 CO 0.58 0.46 0.11 0.54 -0.92 0.00 0.00 175.35 176.11