#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kas s LEU 122 N 0.00 3.63 0.13 6.15 1.43 -1.26 -5.11 118.68 123.65 3kas s LEU 122 Ca 0.00 -0.49 -0.16 0.00 -1.03 0.00 0.00 54.13 52.45 3kas s LEU 122 Cb 0.00 -2.42 -0.07 0.00 0.03 0.00 0.00 46.19 43.73 3kas s LEU 122 CO 0.00 -0.60 0.57 -0.31 0.23 0.00 0.00 176.35 176.23 3kas s TYR 123 N -2.35 3.66 0.30 0.29 1.51 -1.26 -4.97 117.35 114.53 3kas s TYR 123 Ca 0.49 1.14 0.06 0.00 -1.01 0.00 0.00 57.07 57.74 3kas s TYR 123 Cb -0.07 -2.42 0.77 0.00 -0.11 0.00 0.00 41.96 40.13 3kas s TYR 123 CO 0.30 0.46 1.72 2.35 -1.11 0.00 0.00 175.55 179.27 3kas h TRP 124 N 3.81 0.82 -0.99 2.71 2.91 -1.99 -0.02 115.95 123.20 3kas h TRP 124 Ca -0.49 0.04 0.09 0.00 1.13 0.00 0.00 58.89 59.66 3kas h TRP 124 Cb 1.20 -0.22 -0.07 0.00 -0.51 0.00 0.00 29.16 29.56 3kas h TRP 124 CO 0.66 0.03 0.63 -0.44 -1.03 0.00 0.00 178.44 178.29 3kas h ASP 125 N 0.51 0.98 -0.18 2.65 3.32 -1.99 0.08 116.42 121.79 3kas h ASP 125 Ca 0.58 0.03 -0.11 0.00 0.02 0.00 0.00 57.03 57.55 3kas h ASP 125 Cb 1.07 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 40.44 3kas h ASP 125 CO -0.48 0.58 -0.31 0.44 -1.72 0.00 0.00 179.24 177.75 3kas h ASP 126 N 1.09 0.59 -0.96 6.45 3.32 -1.43 -2.21 116.42 123.26 3kas h ASP 126 Ca 0.45 -0.54 0.01 0.00 0.02 0.00 0.00 57.03 56.98 3kas h ASP 126 Cb 0.29 -0.17 -0.05 0.00 0.22 0.00 0.00 39.33 39.63 3kas h ASP 126 CO -0.21 1.01 0.64 -0.07 -1.72 0.00 0.00 179.24 178.89 3kas h LEU 127 N 0.19 1.11 0.06 1.55 3.38 -0.90 0.28 115.31 120.98 3kas h LEU 127 Ca 0.01 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 57.96 3kas h LEU 127 Cb 0.90 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 3kas h LEU 127 CO 0.07 0.81 -0.08 0.50 0.09 0.00 0.00 178.44 179.83 3kas h LYS 128 N 1.31 -0.16 0.29 1.13 3.64 -0.98 -0.67 116.57 121.13 3kas h LYS 128 Ca 0.35 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.73 3kas h LYS 128 Cb -0.15 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.71 3kas h LYS 128 CO -0.08 -0.11 -0.14 -0.09 -2.27 0.00 0.00 179.45 176.77 3kas h ARG 129 N -0.17 -0.37 -0.27 1.90 2.43 -0.90 -1.72 114.38 115.28 3kas h ARG 129 Ca 0.01 0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.27 3kas h ARG 129 Cb 0.17 0.08 -0.08 0.00 -0.42 0.00 0.00 29.97 29.73 3kas h ARG 129 CO -0.04 -0.21 -0.28 0.87 -1.51 0.00 0.00 179.97 178.80 3kas h LYS 130 N -0.43 -0.26 -0.13 0.20 1.79 -0.38 0.16 116.57 117.51 3kas h LYS 130 Ca -0.04 0.02 0.05 0.00 -2.18 0.00 0.00 60.65 58.49 3kas h LYS 130 Cb 0.33 0.06 -0.06 0.00 -1.58 0.00 0.00 32.23 30.98 3kas h LYS 130 CO 0.06 -0.17 -0.23 1.25 -1.08 0.00 0.00 179.45 179.28 3kas h LEU 131 N -0.27 -0.72 -0.44 2.94 5.85 -1.06 -0.50 115.31 121.11 3kas h LEU 131 Ca 0.14 0.12 0.05 0.00 0.84 0.00 0.00 57.88 59.03 3kas h LEU 131 Cb 0.50 0.32 -0.05 0.00 0.37 0.00 0.00 40.66 41.80 3kas h LEU 131 CO -0.43 -0.28 0.18 -1.28 -0.34 0.00 0.00 178.44 176.29 3kas h SER 132 N -0.30 0.22 0.17 1.25 0.87 -0.67 -0.19 113.55 114.89 3kas h SER 132 Ca 0.10 0.04 -0.17 0.00 -1.23 0.00 0.00 61.79 60.53 3kas h SER 132 Cb 0.44 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.41 3kas h SER 132 CO -0.30 0.16 -0.64 1.05 -0.53 0.00 0.00 176.83 176.57 3kas h GLU 133 N 0.36 0.45 -0.82 2.24 4.11 -0.34 -0.33 114.58 120.26 3kas h GLU 133 Ca 0.20 -0.32 0.02 0.00 0.07 0.00 0.00 59.36 59.33 3kas h GLU 133 Cb 0.17 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.43 3kas h GLU 133 CO -0.19 0.94 0.53 0.87 0.07 0.00 0.00 179.01 181.23 3kas h LYS 134 N 0.33 1.02 -0.50 1.06 1.79 -0.88 -2.33 116.57 117.05 3kas h LYS 134 Ca -0.01 -0.06 -0.04 0.00 -2.18 0.00 0.00 60.65 58.36 3kas h LYS 134 Cb 1.19 -0.23 -0.02 0.00 -1.58 0.00 0.00 32.23 31.58 3kas h LYS 134 CO 0.11 0.67 0.15 -0.07 -1.08 0.00 0.00 179.45 179.23 3kas h LEU 135 N 1.05 0.69 -1.31 2.94 3.38 -0.54 -2.91 115.31 118.62 3kas h LEU 135 Ca 0.32 -0.11 0.06 0.00 0.09 0.00 0.00 57.88 58.24 3kas h LEU 135 Cb -0.04 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.48 3kas h LEU 135 CO -0.10 0.67 0.51 0.44 0.09 0.00 0.00 178.44 180.05 3kas h ASP 136 N 0.73 0.74 -0.62 -0.43 3.45 -0.49 -1.62 116.42 118.19 3kas h ASP 136 Ca 0.17 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.63 3kas h ASP 136 Cb 0.23 -0.16 0.00 0.00 -0.56 0.00 0.00 39.33 38.84 3kas h ASP 136 CO -0.01 0.49 0.00 -1.54 -1.57 0.00 0.00 179.24 176.61 3kas n SER 137 N -4.48 4.87 -4.78 6.45 3.41 -1.11 -4.94 113.62 113.05 3kas n SER 137 Ca 0.11 -2.54 -0.38 0.00 -0.26 0.00 0.00 58.87 55.79 3kas n SER 137 Cb 0.20 -0.59 -0.06 0.00 -0.26 0.00 0.00 64.21 63.50 3kas n SER 137 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3kas s THR 138 N -2.03 5.00 -0.48 6.66 2.01 -0.61 -5.04 115.64 121.16 3kas s THR 138 Ca 0.51 1.02 -0.13 0.00 0.31 0.00 0.00 61.69 63.40 3kas s THR 138 Cb 0.34 -3.82 0.10 0.00 0.01 0.00 0.00 72.50 69.13 3kas s THR 138 CO 0.22 0.47 0.39 -0.62 -0.69 0.00 0.00 174.62 174.39 3kas s ASP 139 N -0.38 5.96 -0.14 3.53 -1.08 -1.26 -4.93 116.67 118.37 3kas s ASP 139 Ca 0.27 -1.63 -0.21 0.00 -0.52 0.00 0.00 52.55 50.45 3kas s ASP 139 Cb -0.17 -2.12 -0.25 0.00 -1.46 0.00 0.00 42.92 38.92 3kas s ASP 139 CO 0.14 -0.70 0.55 -0.26 0.52 0.00 0.00 175.17 175.42 3kas h PHE 140 N 8.66 0.22 -0.44 -5.34 -1.00 -1.96 -3.37 116.94 113.71 3kas h PHE 140 Ca -0.26 -0.16 0.07 0.00 2.81 0.00 0.00 57.97 60.43 3kas h PHE 140 Cb 1.09 -0.01 -0.02 0.00 3.61 0.00 0.00 35.95 40.62 3kas h PHE 140 CO 0.66 1.37 0.30 1.79 -1.61 0.00 0.00 178.31 180.82 3kas h THR 141 N -0.68 0.92 -0.34 -1.55 1.35 -1.91 -1.19 112.91 109.51 3kas h THR 141 Ca -0.22 -0.09 -0.01 0.00 -0.55 0.00 0.00 66.41 65.53 3kas h THR 141 Cb 1.43 0.62 -0.02 0.00 -1.73 0.00 0.00 68.15 68.45 3kas h THR 141 CO -0.02 0.05 0.17 0.28 -0.25 0.00 0.00 175.52 175.75 3kas h SER 142 N 0.28 0.44 -0.43 5.36 0.02 -1.99 0.54 113.55 117.76 3kas h SER 142 Ca 0.20 -0.11 -0.08 0.00 -0.84 0.00 0.00 61.79 60.96 3kas h SER 142 Cb 0.43 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 3kas h SER 142 CO -0.04 0.43 -0.04 0.74 -1.14 0.00 0.00 176.83 176.78 3kas h THR 143 N 0.42 1.27 -0.78 -2.27 2.02 -1.41 0.29 112.91 112.45 3kas h THR 143 Ca 0.12 -1.10 -0.00 0.00 0.77 0.00 0.00 66.41 66.20 3kas h THR 143 Cb 0.10 1.11 -0.04 0.00 -1.74 0.00 0.00 68.15 67.57 3kas h THR 143 CO -0.02 0.38 0.48 0.40 0.37 0.00 0.00 175.52 177.13 3kas h ILE 144 N 0.63 1.22 -0.35 3.11 2.04 -1.20 -0.12 117.51 122.83 3kas h ILE 144 Ca 0.12 -0.46 -0.03 0.00 1.00 0.00 0.00 64.86 65.49 3kas h ILE 144 Cb 0.54 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 3kas h ILE 144 CO 0.03 0.22 0.10 0.50 0.00 0.00 0.00 178.15 179.00 3kas h LYS 145 N 1.06 0.55 -0.92 2.37 3.64 -0.59 -2.82 116.57 119.88 3kas h LYS 145 Ca 0.28 -0.13 0.05 0.00 -1.27 0.00 0.00 60.65 59.59 3kas h LYS 145 Cb -0.06 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 31.63 3kas h LYS 145 CO -0.05 0.59 0.58 1.25 -2.27 0.00 0.00 179.45 179.55 3kas h LEU 146 N 0.41 0.95 0.00 5.20 6.46 0.10 0.13 115.31 128.56 3kas h LEU 146 Ca 0.11 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.88 3kas h LEU 146 Cb 0.27 -0.20 0.00 0.00 -0.73 0.00 0.00 40.66 40.01 3kas h LEU 146 CO -0.00 0.62 0.00 0.18 -0.62 0.00 0.00 178.44 178.62 3kas n LEU 147 N -4.55 0.00 -1.44 2.25 4.77 -0.11 -2.29 117.00 115.65 3kas n LEU 147 Ca 0.13 0.48 0.11 0.00 -0.03 0.00 0.00 56.01 56.70 3kas n LEU 147 Cb 0.14 -0.48 0.33 0.00 -2.33 0.00 0.00 43.42 41.09 3kas n LEU 147 CO 0.33 -0.22 0.79 -3.20 -1.33 0.00 0.00 177.39 173.75 3kas n ASN 148 N -1.48 4.21 -4.88 -1.43 4.05 0.44 -4.45 115.26 111.73 3kas n ASN 148 Ca 0.04 -2.17 -0.30 0.00 0.45 0.00 0.00 54.58 52.59 3kas n ASN 148 Cb 0.18 -0.52 0.01 0.00 1.23 0.00 0.00 39.78 40.68 3kas n ASN 148 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 3kas s GLU 149 N -1.35 3.57 0.56 1.20 2.02 -0.97 -4.65 118.70 119.08 3kas s GLU 149 Ca 0.49 0.65 0.24 0.00 0.02 0.00 0.00 54.97 56.38 3kas s GLU 149 Cb 0.28 -2.13 1.55 0.00 0.10 0.00 0.00 34.13 33.94 3kas s GLU 149 CO 0.30 -0.52 2.16 -0.91 0.02 0.00 0.00 175.26 176.30 3kas h ASN 150 N -0.24 0.00 0.10 -0.19 2.35 -1.93 0.44 115.58 116.11 3kas h ASN 150 Ca -0.44 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.30 3kas h ASN 150 Cb 1.19 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.56 3kas h ASN 150 CO 0.62 0.00 -0.03 -1.28 -1.65 0.00 0.00 177.43 175.09 3kas h SER 151 N 0.00 0.00 0.00 5.81 0.87 -1.94 -3.15 113.55 115.14 3kas h SER 151 Ca 0.05 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 3kas h SER 151 Cb 0.22 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.18 3kas h SER 151 CO -0.00 0.03 -0.16 -1.22 -0.53 0.00 0.00 176.83 174.95 3kas n TYR 152 N -3.71 0.00 -0.10 2.24 4.02 0.56 -4.65 117.16 115.52 3kas n TYR 152 Ca -0.03 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.81 3kas n TYR 152 Cb 0.12 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.40 3kas n TYR 152 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 3kas h VAL 153 N 0.00 0.00 -3.25 -0.72 2.07 -0.25 -3.23 116.25 110.87 3kas h VAL 153 Ca 0.00 0.00 -0.72 0.00 0.82 0.00 0.00 66.70 66.80 3kas h VAL 153 Cb 0.00 0.00 -0.21 0.00 -1.52 0.00 0.00 31.29 29.56 3kas h VAL 153 CO 0.00 0.00 -0.17 -2.16 0.02 0.00 0.00 177.57 175.26 3kas s PRO 154 N -4.03 3.03 -0.57 1.57 0.05 -1.26 -3.49 135.00 130.29 3kas s PRO 154 Ca -0.05 -1.22 0.06 0.00 0.05 0.00 0.00 61.00 59.83 3kas s PRO 154 Cb 0.04 -4.14 0.33 0.00 0.05 0.00 0.00 34.50 30.78 3kas s PRO 154 CO 0.25 -1.14 0.90 2.89 0.05 0.00 0.00 177.00 179.95 3kas n ARG 155 N 5.58 2.95 -1.75 4.56 1.85 -1.20 -4.70 116.66 123.95 3kas n ARG 155 Ca -0.10 -4.71 -0.38 0.00 -1.00 0.00 0.00 57.85 51.65 3kas n ARG 155 Cb 0.44 -2.19 0.05 0.00 -1.05 0.00 0.00 32.46 29.71 3kas n ARG 155 CO 0.00 0.00 0.00 -2.00 -0.01 0.00 0.00 177.63 175.62 3kas s GLU 156 N -3.24 3.06 0.14 2.89 2.12 -0.65 -1.79 118.70 121.22 3kas s GLU 156 Ca 0.47 2.25 -0.35 0.00 0.36 0.00 0.00 54.97 57.70 3kas s GLU 156 Cb 0.27 -2.22 -0.15 0.00 0.26 0.00 0.00 34.13 32.29 3kas s GLU 156 CO -0.12 -1.26 1.51 0.00 -0.54 0.00 0.00 175.26 174.86 3kas n ALA 157 N -1.12 0.73 0.00 6.30 0.00 -1.26 -1.44 120.51 123.72 3kas n ALA 157 Ca 0.11 0.47 0.00 0.00 0.00 0.00 0.00 53.44 54.02 3kas n ALA 157 Cb 0.45 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.62 3kas n ALA 157 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kas n GLY 158 N 3.17 2.60 3.66 0.00 0.00 -1.26 -4.96 105.19 108.40 3kas n GLY 158 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 3kas n GLY 158 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kas s SER 159 N -1.59 2.84 0.26 1.61 1.04 -0.52 -4.75 113.70 112.59 3kas s SER 159 Ca 0.00 1.58 -0.03 0.00 0.48 0.00 0.00 55.95 57.98 3kas s SER 159 Cb 0.00 -2.24 0.32 0.00 0.10 0.00 0.00 66.02 64.20 3kas s SER 159 CO 0.00 -3.05 1.81 1.56 0.98 0.00 0.00 173.24 174.54 3kas h GLN 160 N -1.83 0.96 -0.41 4.02 1.08 -1.94 -0.87 115.11 116.12 3kas h GLN 160 Ca -0.51 -0.18 -0.06 0.00 -1.45 0.00 0.00 58.65 56.44 3kas h GLN 160 Cb 1.29 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 28.56 3kas h GLN 160 CO 0.52 0.82 0.02 0.87 -0.95 0.00 0.00 178.83 180.11 3kas h LYS 161 N 0.93 0.71 -0.66 1.46 1.57 -1.84 0.87 116.57 119.61 3kas h LYS 161 Ca 0.21 -0.22 0.09 0.00 -1.87 0.00 0.00 60.65 58.86 3kas h LYS 161 Cb 0.26 -0.07 -0.07 0.00 0.08 0.00 0.00 32.23 32.43 3kas h LYS 161 CO -0.01 0.79 0.31 0.22 -0.57 0.00 0.00 179.45 180.18 3kas h ASP 162 N 0.55 0.38 -0.08 0.86 -0.00 -1.73 0.18 116.42 116.57 3kas h ASP 162 Ca 0.12 0.06 -0.09 0.00 -0.00 0.00 0.00 57.03 57.12 3kas h ASP 162 Cb 0.45 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 39.77 3kas h ASP 162 CO 0.02 0.22 -0.21 -0.08 -0.00 0.00 0.00 179.24 179.19 3kas h GLU 163 N 0.54 0.49 0.25 0.28 4.81 -0.36 0.03 114.58 120.61 3kas h GLU 163 Ca 0.33 -0.17 -0.01 0.00 -0.13 0.00 0.00 59.36 59.38 3kas h GLU 163 Cb 0.35 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.69 3kas h GLU 163 CO -0.27 0.68 -0.15 -0.91 -0.73 0.00 0.00 179.01 177.62 3kas h ASN 164 N 0.44 -0.38 -0.70 1.04 2.35 0.17 -1.36 115.58 117.13 3kas h ASN 164 Ca 0.07 0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.84 3kas h ASN 164 Cb 0.61 0.11 -0.03 0.00 0.05 0.00 0.00 38.32 39.06 3kas h ASN 164 CO 0.04 -0.25 0.43 0.25 -1.65 0.00 0.00 177.43 176.25 3kas h LEU 165 N -0.39 0.84 -0.78 1.61 5.85 -0.61 0.38 115.31 122.21 3kas h LEU 165 Ca -0.02 -0.06 0.14 0.00 0.84 0.00 0.00 57.88 58.78 3kas h LEU 165 Cb 0.32 -0.21 -0.09 0.00 0.37 0.00 0.00 40.66 41.05 3kas h LEU 165 CO 0.03 0.65 0.35 0.00 -0.34 0.00 0.00 178.44 179.13 3kas h ALA 166 N 1.23 1.13 -0.46 1.25 0.00 -0.85 0.32 119.26 121.88 3kas h ALA 166 Ca 0.25 0.10 -0.13 0.00 0.00 0.00 0.00 54.91 55.14 3kas h ALA 166 Cb -0.04 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3kas h ALA 166 CO -0.05 -0.15 -0.21 -0.07 0.00 0.00 0.00 179.25 178.77 3kas h LEU 167 N 0.52 0.95 -0.04 0.00 3.38 0.06 -1.81 115.31 118.38 3kas h LEU 167 Ca 0.43 -0.35 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 3kas h LEU 167 Cb 0.61 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 3kas h LEU 167 CO -0.37 1.12 0.01 0.22 0.09 0.00 0.00 178.44 179.51 3kas h TYR 168 N 0.80 0.07 -0.65 1.13 3.20 0.33 -0.46 116.97 121.39 3kas h TYR 168 Ca 0.11 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.04 3kas h TYR 168 Cb 0.77 -0.02 -0.06 0.00 1.54 0.00 0.00 36.73 38.96 3kas h TYR 168 CO 0.05 0.29 0.33 0.28 -1.64 0.00 0.00 178.16 177.47 3kas h VAL 169 N -0.17 0.91 -0.78 1.81 2.07 -0.41 -0.49 116.25 119.19 3kas h VAL 169 Ca 0.01 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 3kas h VAL 169 Cb 0.26 0.26 -0.04 0.00 -1.52 0.00 0.00 31.29 30.25 3kas h VAL 169 CO 0.00 0.11 0.39 -0.08 0.02 0.00 0.00 177.57 178.01 3kas h GLU 170 N 0.60 1.11 -0.06 1.57 4.81 -1.15 -1.15 114.58 120.31 3kas h GLU 170 Ca 0.30 -0.15 -0.00 0.00 -0.13 0.00 0.00 59.36 59.37 3kas h GLU 170 Cb 0.25 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.42 3kas h GLU 170 CO -0.22 0.85 0.03 -0.97 -0.73 0.00 0.00 179.01 177.97 3kas h ASN 171 N 1.09 0.08 -0.67 1.04 -0.73 -0.42 -2.28 115.58 113.68 3kas h ASN 171 Ca 0.27 -0.14 0.12 0.00 1.87 0.00 0.00 56.30 58.42 3kas h ASN 171 Cb 0.09 -0.02 -0.09 0.00 0.27 0.00 0.00 38.32 38.58 3kas h ASN 171 CO -0.04 0.20 0.23 1.56 -0.37 0.00 0.00 177.43 179.02 3kas h GLN 172 N -0.04 0.38 -0.75 6.67 1.08 -0.78 0.61 115.11 122.27 3kas h GLN 172 Ca 0.02 -0.02 0.05 0.00 -1.45 0.00 0.00 58.65 57.25 3kas h GLN 172 Cb 0.14 -0.08 -0.05 0.00 -0.05 0.00 0.00 27.48 27.44 3kas h GLN 172 CO -0.00 0.25 0.46 0.74 -0.95 0.00 0.00 178.83 179.32 3kas h PHE 173 N 0.39 0.85 -0.47 2.96 0.05 -1.09 0.41 116.94 120.03 3kas h PHE 173 Ca 0.36 0.03 -0.06 0.00 3.82 0.00 0.00 57.97 62.11 3kas h PHE 173 Cb 0.51 -0.27 -0.02 0.00 2.00 0.00 0.00 35.95 38.16 3kas h PHE 173 CO -0.19 0.45 0.05 0.00 -0.18 0.00 0.00 178.31 178.44 3kas h ARG 174 N 0.86 0.75 -0.08 1.51 3.08 -0.44 -2.20 114.38 117.86 3kas h ARG 174 Ca 0.32 -0.17 -0.12 0.00 0.07 0.00 0.00 59.98 60.08 3kas h ARG 174 Cb 0.11 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 3kas h ARG 174 CO -0.15 0.72 -0.51 0.93 -1.07 0.00 0.00 179.97 179.90 3kas h GLU 175 N 0.71 0.21 0.00 0.04 5.08 -0.23 -2.27 114.58 118.12 3kas h GLU 175 Ca 0.15 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3kas h GLU 175 Cb 0.36 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.62 3kas h GLU 175 CO 0.01 0.67 0.00 0.74 -1.00 0.00 0.00 179.01 179.43 3kas h PHE 176 N 0.17 0.00 -4.50 4.33 0.05 -0.35 -3.47 116.94 113.17 3kas h PHE 176 Ca 0.01 0.00 -0.24 0.00 3.82 0.00 0.00 57.97 61.56 3kas h PHE 176 Cb 0.95 0.00 0.11 0.00 2.00 0.00 0.00 35.95 39.02 3kas h PHE 176 CO 0.02 0.00 -0.52 1.63 -0.18 0.00 0.00 178.31 179.25 3kas n LYS 177 N -2.43 -4.81 -1.79 1.51 5.02 -0.86 -4.81 118.16 110.00 3kas n LYS 177 Ca 0.02 0.59 -0.33 0.00 -2.02 0.00 0.00 58.31 56.57 3kas n LYS 177 Cb 0.25 -4.84 0.04 0.00 -0.02 0.00 0.00 35.03 30.46 3kas n LYS 177 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3kas s LEU 178 N -5.11 3.39 0.25 -0.35 1.43 -1.21 -4.92 118.68 112.16 3kas s LEU 178 Ca 0.09 1.94 -0.06 0.00 -1.03 0.00 0.00 54.13 55.07 3kas s LEU 178 Cb -0.04 -4.54 0.46 0.00 0.03 0.00 0.00 46.19 42.10 3kas s LEU 178 CO 0.51 -1.55 1.64 0.28 0.23 0.00 0.00 176.35 177.45 3kas h SER 179 N 0.04 -0.31 -3.91 2.29 0.02 -1.26 -3.42 113.55 107.01 3kas h SER 179 Ca -0.47 0.19 -0.10 0.00 -0.84 0.00 0.00 61.79 60.58 3kas h SER 179 Cb 1.24 0.33 -0.23 0.00 0.14 0.00 0.00 62.40 63.88 3kas h SER 179 CO 0.55 -0.17 -0.14 -0.75 -1.14 0.00 0.00 176.83 175.17 3kas s LYS 180 N -6.10 0.57 0.02 3.45 2.20 -1.15 -5.01 119.74 113.72 3kas s LYS 180 Ca -0.13 0.69 0.07 0.00 -0.36 0.00 0.00 55.97 56.24 3kas s LYS 180 Cb 0.23 0.28 -0.02 0.00 -1.51 0.00 0.00 37.83 36.80 3kas s LYS 180 CO 0.76 -0.07 -0.22 0.14 -0.36 0.00 0.00 175.35 175.60 3kas s VAL 181 N 0.27 1.75 0.30 4.02 -7.23 -1.26 -1.34 120.40 116.91 3kas s VAL 181 Ca -0.00 -1.10 -0.10 0.00 -1.81 0.00 0.00 61.98 58.97 3kas s VAL 181 Cb -0.03 -1.49 0.01 0.00 0.56 0.00 0.00 36.38 35.42 3kas s VAL 181 CO 0.01 0.36 0.52 -1.66 -0.31 0.00 0.00 175.10 174.01 3kas s TRP 182 N -0.66 0.55 -0.00 2.82 -2.14 -0.50 -5.01 118.94 113.99 3kas s TRP 182 Ca 0.08 -0.91 0.06 0.00 2.66 0.00 0.00 56.10 57.99 3kas s TRP 182 Cb -0.09 0.19 -0.03 0.00 -3.10 0.00 0.00 33.47 30.45 3kas s TRP 182 CO 0.01 -1.11 -0.19 1.03 -2.66 0.00 0.00 176.95 174.03 3kas s ARG 183 N -3.50 2.22 -0.36 3.25 0.52 -1.26 -1.74 118.95 118.09 3kas s ARG 183 Ca 0.24 -0.87 0.03 0.00 -0.52 0.00 0.00 55.73 54.61 3kas s ARG 183 Cb -0.01 -2.22 0.10 0.00 0.52 0.00 0.00 34.95 33.34 3kas s ARG 183 CO 0.13 0.57 0.08 0.34 0.02 0.00 0.00 175.30 176.44 3kas s ASP 184 N -1.02 4.62 0.03 0.23 2.15 0.07 -4.99 116.67 117.78 3kas s ASP 184 Ca 0.12 -2.19 -0.11 0.00 0.43 0.00 0.00 52.55 50.81 3kas s ASP 184 Cb -0.10 -1.53 -0.06 0.00 -0.30 0.00 0.00 42.92 40.93 3kas s ASP 184 CO 0.02 -0.37 0.37 -1.58 -0.17 0.00 0.00 175.17 173.45 3kas s GLN 185 N 0.86 3.77 -0.01 4.34 0.74 -1.26 -1.06 119.66 127.03 3kas s GLN 185 Ca 0.12 0.20 -0.05 0.00 0.05 0.00 0.00 55.36 55.67 3kas s GLN 185 Cb -0.20 -3.09 0.00 0.00 1.10 0.00 0.00 33.01 30.83 3kas s GLN 185 CO -0.09 0.62 0.11 -1.01 -0.55 0.00 0.00 175.29 174.37 3kas s HIS 186 N -1.27 0.02 -0.20 1.67 3.76 -0.94 -5.01 115.29 113.32 3kas s HIS 186 Ca 0.28 -0.05 -0.05 0.00 -0.15 0.00 0.00 55.06 55.09 3kas s HIS 186 Cb -0.15 -0.04 -0.03 0.00 1.11 0.00 0.00 32.58 33.48 3kas s HIS 186 CO 0.15 -0.20 0.01 -0.06 -0.85 0.00 0.00 174.74 173.79 3kas s PHE 187 N -0.95 3.06 0.05 1.40 0.40 -1.26 -1.45 117.98 119.23 3kas s PHE 187 Ca -0.10 -0.39 0.01 0.00 -0.60 0.00 0.00 56.93 55.85 3kas s PHE 187 Cb -0.06 -2.09 -0.03 0.00 0.51 0.00 0.00 43.02 41.35 3kas s PHE 187 CO 0.01 -0.20 -0.05 0.14 0.70 0.00 0.00 175.22 175.81 3kas s VAL 188 N 0.97 0.40 -0.36 -0.44 -7.23 -0.75 -4.96 120.40 108.03 3kas s VAL 188 Ca 0.02 -1.33 -0.18 0.00 -1.81 0.00 0.00 61.98 58.69 3kas s VAL 188 Cb -0.14 -0.88 -0.00 0.00 0.56 0.00 0.00 36.38 35.91 3kas s VAL 188 CO 0.02 -0.62 0.48 -0.54 -0.31 0.00 0.00 175.10 174.14 3kas s LYS 189 N -2.39 3.57 0.52 4.82 1.02 -1.26 -0.55 119.74 125.46 3kas s LYS 189 Ca -0.04 -0.25 0.07 0.00 0.02 0.00 0.00 55.97 55.76 3kas s LYS 189 Cb -0.04 -3.82 0.03 0.00 -0.52 0.00 0.00 37.83 33.48 3kas s LYS 189 CO -0.03 -0.65 0.46 0.96 -0.92 0.00 0.00 175.35 175.18 3kas s ILE 190 N 2.32 1.99 -0.07 2.17 -4.36 -0.27 -4.76 121.20 118.21 3kas s ILE 190 Ca 0.17 -1.38 0.05 0.00 -0.26 0.00 0.00 60.65 59.24 3kas s ILE 190 Cb -0.16 -2.36 -0.01 0.00 1.25 0.00 0.00 42.46 41.18 3kas s ILE 190 CO 0.13 0.00 -0.24 -1.58 0.24 0.00 0.00 174.94 173.49 3kas s GLN 191 N -4.30 2.74 0.32 0.37 0.74 -1.26 -0.58 119.66 117.69 3kas s GLN 191 Ca 0.42 -0.89 0.06 0.00 0.05 0.00 0.00 55.36 55.00 3kas s GLN 191 Cb -0.03 -2.22 -0.06 0.00 1.10 0.00 0.00 33.01 31.79 3kas s GLN 191 CO 0.26 0.31 -0.01 0.08 -0.55 0.00 0.00 175.29 175.38 3kas s VAL 192 N 0.02 1.56 0.38 1.34 1.01 -0.35 -4.77 120.40 119.59 3kas s VAL 192 Ca -0.09 -2.07 -0.18 0.00 0.00 0.00 0.00 61.98 59.64 3kas s VAL 192 Cb -0.15 -2.65 -0.10 0.00 0.00 0.00 0.00 36.38 33.48 3kas s VAL 192 CO 0.06 -0.15 0.85 -1.59 0.00 0.00 0.00 175.10 174.26 3kas s LYS 193 N -3.78 4.14 0.67 2.72 -2.85 -1.26 -0.42 119.74 118.97 3kas s LYS 193 Ca 0.33 0.92 -0.10 0.00 -1.00 0.00 0.00 55.97 56.12 3kas s LYS 193 Cb 0.06 -2.32 0.01 0.00 -2.06 0.00 0.00 37.83 33.52 3kas s LYS 193 CO 0.14 0.07 1.04 0.34 0.10 0.00 0.00 175.35 177.04 3kas s ASP 194 N -2.19 5.57 0.47 0.03 2.15 -1.25 -4.77 116.67 116.67 3kas s ASP 194 Ca 0.58 1.06 0.13 0.00 0.43 0.00 0.00 52.55 54.75 3kas s ASP 194 Cb -0.10 -1.94 1.08 0.00 -0.30 0.00 0.00 42.92 41.66 3kas s ASP 194 CO 0.15 -1.22 2.09 0.77 -0.17 0.00 0.00 175.17 176.79 3kas h SER 195 N -0.50 0.23 -3.40 -0.34 4.64 -1.96 -3.40 113.55 108.82 3kas h SER 195 Ca -0.45 -0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.34 3kas h SER 195 Cb 1.25 -0.06 0.02 0.00 -0.31 0.00 0.00 62.40 63.30 3kas h SER 195 CO 0.63 0.16 0.58 0.00 -0.87 0.00 0.00 176.83 177.33 3kas s ALA 196 N -5.28 3.45 0.30 5.18 0.00 -1.26 -5.00 121.76 119.15 3kas s ALA 196 Ca -0.07 0.96 -0.28 0.00 0.00 0.00 0.00 51.96 52.58 3kas s ALA 196 Cb 0.18 -3.43 -0.09 0.00 0.00 0.00 0.00 23.12 19.77 3kas s ALA 196 CO 0.71 -0.41 1.01 -0.65 0.00 0.00 0.00 175.76 176.41 3kas s GLN 197 N 0.06 4.60 0.50 0.00 -1.52 -1.26 -4.82 119.66 117.21 3kas s GLN 197 Ca 0.55 1.54 -0.21 0.00 -1.95 0.00 0.00 55.36 55.29 3kas s GLN 197 Cb -0.33 -2.99 -0.07 0.00 -0.22 0.00 0.00 33.01 29.40 3kas s GLN 197 CO 0.35 0.25 1.13 -0.80 -0.25 0.00 0.00 175.29 175.97 3kas s ASN 198 N -1.28 6.01 0.00 5.90 0.01 -1.26 -4.80 114.94 119.52 3kas s ASN 198 Ca 0.47 2.19 -0.04 0.00 -0.71 0.00 0.00 52.86 54.77 3kas s ASN 198 Cb -0.25 -2.59 -0.00 0.00 0.41 0.00 0.00 41.25 38.82 3kas s ASN 198 CO 0.32 -1.02 0.07 -0.94 -1.51 0.00 0.00 177.10 174.02 3kas s SER 199 N -1.63 0.07 -0.16 -1.22 1.04 -0.54 -3.90 113.70 107.36 3kas s SER 199 Ca 0.68 -0.22 0.01 0.00 0.48 0.00 0.00 55.95 56.90 3kas s SER 199 Cb -0.25 0.17 0.01 0.00 0.10 0.00 0.00 66.02 66.05 3kas s SER 199 CO 0.29 -0.28 -0.18 -0.69 0.98 0.00 0.00 173.24 173.37 3kas s VAL 200 N -1.11 2.41 0.01 5.02 1.01 -0.30 -1.82 120.40 125.63 3kas s VAL 200 Ca -0.12 -0.85 0.03 0.00 0.00 0.00 0.00 61.98 61.04 3kas s VAL 200 Cb -0.07 -2.01 -0.01 0.00 0.00 0.00 0.00 36.38 34.29 3kas s VAL 200 CO 0.00 0.52 -0.10 -0.63 0.00 0.00 0.00 175.10 174.90 3kas s ILE 201 N 0.92 0.78 -0.14 2.22 1.01 -0.45 -0.36 121.20 125.18 3kas s ILE 201 Ca -0.04 -0.60 -0.06 0.00 0.00 0.00 0.00 60.65 59.95 3kas s ILE 201 Cb -0.15 -0.69 -0.04 0.00 0.01 0.00 0.00 42.46 41.59 3kas s ILE 201 CO -0.03 0.09 0.07 -0.63 0.00 0.00 0.00 174.94 174.44 3kas s ILE 202 N -0.49 4.91 -0.07 2.92 1.01 0.18 -0.32 121.20 129.34 3kas s ILE 202 Ca 0.02 -0.01 0.02 0.00 0.00 0.00 0.00 60.65 60.68 3kas s ILE 202 Cb -0.05 -3.16 -0.03 0.00 0.01 0.00 0.00 42.46 39.23 3kas s ILE 202 CO 0.00 0.54 -0.11 -0.69 0.00 0.00 0.00 174.94 174.68 3kas s VAL 203 N -0.30 3.37 -0.46 2.92 1.01 0.29 -0.60 120.40 126.62 3kas s VAL 203 Ca 0.09 -0.60 -0.20 0.00 0.00 0.00 0.00 61.98 61.27 3kas s VAL 203 Cb -0.12 -2.36 0.03 0.00 0.00 0.00 0.00 36.38 33.93 3kas s VAL 203 CO 0.01 0.58 0.65 -0.62 0.00 0.00 0.00 175.10 175.73 3kas s ASP 204 N -0.60 6.29 0.65 3.32 2.15 -0.55 -2.19 116.67 125.73 3kas s ASP 204 Ca 0.09 -0.51 0.27 0.00 0.43 0.00 0.00 52.55 52.83 3kas s ASP 204 Cb -0.11 -2.31 1.48 0.00 -0.30 0.00 0.00 42.92 41.67 3kas s ASP 204 CO 0.01 -0.83 1.83 0.11 -0.17 0.00 0.00 175.17 176.12 3kas h LYS 205 N 8.93 0.00 -5.47 4.34 1.57 -1.15 0.27 116.57 125.07 3kas h LYS 205 Ca -0.26 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 57.89 3kas h LYS 205 Cb 1.09 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 33.26 3kas h LYS 205 CO 0.92 0.00 0.50 -0.80 -0.57 0.00 0.00 179.45 179.50 3kas s ASN 206 N -4.28 6.21 0.00 0.86 0.01 -1.26 -4.13 114.94 112.35 3kas s ASN 206 Ca -0.03 -0.88 0.00 0.00 -0.71 0.00 0.00 52.86 51.24 3kas s ASN 206 Cb 0.08 -2.41 0.00 0.00 0.41 0.00 0.00 41.25 39.33 3kas s ASN 206 CO 0.25 -1.36 0.00 0.61 -1.51 0.00 0.00 177.10 175.09 3kas n GLY 207 N 5.28 2.67 3.37 0.66 0.00 -1.25 -4.41 105.19 111.51 3kas n GLY 207 Ca -0.03 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.78 3kas n GLY 207 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kas n ARG 208 N -2.00 -7.04 -3.45 1.61 1.74 0.95 -4.99 116.66 103.48 3kas n ARG 208 Ca 0.00 0.75 -0.37 0.00 -0.77 0.00 0.00 57.85 57.47 3kas n ARG 208 Cb 0.00 -5.56 -0.06 0.00 -1.02 0.00 0.00 32.46 25.82 3kas n ARG 208 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3kas s LEU 209 N -6.59 4.43 0.12 0.55 1.02 -1.23 -4.84 118.68 112.14 3kas s LEU 209 Ca 0.44 0.99 0.06 0.00 0.02 0.00 0.00 54.13 55.65 3kas s LEU 209 Cb -0.20 -2.86 -0.04 0.00 0.02 0.00 0.00 46.19 43.11 3kas s LEU 209 CO 0.66 0.24 0.01 0.68 0.02 0.00 0.00 176.35 177.95 3kas s VAL 210 N -1.24 3.93 -0.09 -1.59 -7.23 -1.26 -1.48 120.40 111.44 3kas s VAL 210 Ca 0.30 -1.14 -0.00 0.00 -1.81 0.00 0.00 61.98 59.32 3kas s VAL 210 Cb -0.16 -2.91 0.02 0.00 0.56 0.00 0.00 36.38 33.89 3kas s VAL 210 CO 0.16 0.03 -0.06 -0.31 -0.31 0.00 0.00 175.10 174.62 3kas s TYR 211 N -1.46 1.21 -0.03 2.82 1.51 0.23 -4.97 117.35 116.66 3kas s TYR 211 Ca 0.26 -0.54 -0.30 0.00 -1.01 0.00 0.00 57.07 55.49 3kas s TYR 211 Cb -0.11 -1.07 -0.04 0.00 -0.11 0.00 0.00 41.96 40.64 3kas s TYR 211 CO 0.19 -0.43 1.21 -1.17 -1.11 0.00 0.00 175.55 174.24 3kas s LEU 212 N 1.65 4.30 -0.25 -1.29 2.96 -1.26 -0.64 118.68 124.14 3kas s LEU 212 Ca 0.03 1.86 0.02 0.00 -0.22 0.00 0.00 54.13 55.82 3kas s LEU 212 Cb -0.13 -3.56 -0.16 0.00 0.50 0.00 0.00 46.19 42.84 3kas s LEU 212 CO -0.06 -0.57 -0.22 0.52 -1.32 0.00 0.00 176.35 174.69 3kas n VAL 213 N 4.51 1.45 -3.57 1.68 0.31 0.51 -4.94 118.33 118.27 3kas n VAL 213 Ca 0.11 -0.55 -0.16 0.00 -0.01 0.00 0.00 64.34 63.73 3kas n VAL 213 Cb 0.46 -1.40 -0.06 0.00 -0.91 0.00 0.00 33.84 31.93 3kas n VAL 213 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 3kas s GLU 214 N -2.50 0.94 -0.61 5.55 2.12 -1.05 -4.94 118.70 118.21 3kas s GLU 214 Ca -0.34 0.56 -0.08 0.00 0.36 0.00 0.00 54.97 55.47 3kas s GLU 214 Cb 0.09 0.45 0.16 0.00 0.26 0.00 0.00 34.13 35.09 3kas s GLU 214 CO 0.58 -0.23 0.47 -0.80 -0.54 0.00 0.00 175.26 174.75 3kas s ASN 215 N -0.53 5.74 0.26 -1.70 0.02 -1.26 -1.14 114.94 116.33 3kas s ASN 215 Ca -0.06 -2.46 -0.30 0.00 -1.02 0.00 0.00 52.86 49.02 3kas s ASN 215 Cb -0.02 -1.99 -0.14 0.00 0.02 0.00 0.00 41.25 39.12 3kas s ASN 215 CO 0.06 -0.53 1.22 -2.65 0.02 0.00 0.00 177.10 175.22 3kas n PRO 216 N 4.13 1.68 0.19 -0.60 -0.02 -1.25 -4.89 135.00 134.24 3kas n PRO 216 Ca 0.03 0.59 0.04 0.00 -2.02 0.00 0.00 63.50 62.15 3kas n PRO 216 Cb 0.41 -2.12 0.38 0.00 -0.02 0.00 0.00 33.50 32.15 3kas n PRO 216 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3kas h GLY 217 N 3.11 0.00 -0.88 -1.23 0.00 -1.93 -3.46 103.07 98.68 3kas h GLY 217 Ca -0.43 0.00 -0.44 0.00 0.00 0.00 0.00 47.33 46.45 3kas h GLY 217 CO 0.68 0.00 -0.17 0.61 0.00 0.00 0.00 176.54 177.65 3kas n GLY 218 N -0.19 2.57 3.78 4.60 0.00 -1.26 -4.95 105.19 109.73 3kas n GLY 218 Ca -0.01 -2.26 -0.09 0.00 0.00 0.00 0.00 46.02 43.66 3kas n GLY 218 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3kas s TYR 219 N -2.12 0.15 -0.28 1.61 -0.85 -1.22 -4.75 117.35 109.89 3kas s TYR 219 Ca 0.32 -0.72 0.03 0.00 -0.52 0.00 0.00 57.07 56.17 3kas s TYR 219 Cb -0.03 0.69 0.07 0.00 0.38 0.00 0.00 41.96 43.08 3kas s TYR 219 CO 0.20 -1.43 -0.05 0.08 -1.52 0.00 0.00 175.55 172.84 3kas s VAL 220 N -2.83 2.03 0.21 -3.49 1.01 -1.26 -3.15 120.40 112.91 3kas s VAL 220 Ca 0.16 -1.74 -0.32 0.00 0.00 0.00 0.00 61.98 60.08 3kas s VAL 220 Cb -0.05 -2.28 -0.14 0.00 0.00 0.00 0.00 36.38 33.92 3kas s VAL 220 CO 0.11 -0.22 1.47 0.00 0.00 0.00 0.00 175.10 176.46 3kas n ALA 221 N 4.44 1.19 -0.61 5.51 0.00 0.24 -2.22 120.51 129.06 3kas n ALA 221 Ca -0.08 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.78 3kas n ALA 221 Cb 0.42 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.57 3kas n ALA 221 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3kas n TYR 222 N 2.44 0.00 -2.15 0.00 0.53 -1.26 -1.53 117.16 115.18 3kas n TYR 222 Ca 0.13 0.00 -0.37 0.00 -1.02 0.00 0.00 57.90 56.64 3kas n TYR 222 Cb 0.30 -0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.62 3kas n TYR 222 CO 0.00 0.00 0.00 0.45 -1.02 0.00 0.00 176.86 176.29 3kas s SER 223 N -2.00 5.89 0.20 7.72 0.15 -0.94 -4.12 113.70 120.59 3kas s SER 223 Ca 0.00 2.39 -0.31 0.00 0.70 0.00 0.00 55.95 58.73 3kas s SER 223 Cb 0.00 -2.61 -0.10 0.00 -1.71 0.00 0.00 66.02 61.61 3kas s SER 223 CO 0.00 -1.12 1.45 -0.75 1.20 0.00 0.00 173.24 174.02 3kas s LYS 224 N -2.83 4.28 -0.42 5.44 2.20 -1.01 -4.92 119.74 122.48 3kas s LYS 224 Ca 0.67 2.26 -0.29 0.00 -0.36 0.00 0.00 55.97 58.25 3kas s LYS 224 Cb -0.31 -3.15 0.01 0.00 -1.51 0.00 0.00 37.83 32.88 3kas s LYS 224 CO 0.36 -0.45 1.34 0.00 -0.36 0.00 0.00 175.35 176.24 3kas s ALA 225 N 0.44 3.10 0.12 3.13 0.00 -1.26 -4.03 121.76 123.26 3kas s ALA 225 Ca 0.62 -0.21 -0.26 0.00 0.00 0.00 0.00 51.96 52.11 3kas s ALA 225 Cb -0.41 -3.92 0.07 0.00 0.00 0.00 0.00 23.12 18.87 3kas s ALA 225 CO 0.38 -2.31 0.97 0.00 0.00 0.00 0.00 175.76 174.80 3kas s ALA 226 N 5.11 -1.71 -0.12 0.00 0.00 -0.19 -4.97 121.76 119.89 3kas s ALA 226 Ca 0.58 0.27 0.02 0.00 0.00 0.00 0.00 51.96 52.83 3kas s ALA 226 Cb -0.12 0.59 0.01 0.00 0.00 0.00 0.00 23.12 23.60 3kas s ALA 226 CO 0.32 -1.00 -0.17 0.99 0.00 0.00 0.00 175.76 175.90 3kas s THR 227 N -3.21 1.61 -0.00 0.00 2.01 -1.26 -1.23 115.64 113.56 3kas s THR 227 Ca 0.11 -0.71 0.02 0.00 0.31 0.00 0.00 61.69 61.43 3kas s THR 227 Cb -0.01 -1.46 -0.01 0.00 0.01 0.00 0.00 72.50 71.03 3kas s THR 227 CO 0.00 0.46 -0.08 0.68 -0.69 0.00 0.00 174.62 175.00 3kas s VAL 228 N 0.96 0.61 -0.12 3.82 -7.23 -0.15 -4.99 120.40 113.29 3kas s VAL 228 Ca -0.07 -0.36 0.02 0.00 -1.81 0.00 0.00 61.98 59.76 3kas s VAL 228 Cb -0.15 -0.52 0.01 0.00 0.56 0.00 0.00 36.38 36.29 3kas s VAL 228 CO -0.02 0.15 -0.16 -0.89 -0.31 0.00 0.00 175.10 173.87 3kas s THR 229 N -0.23 1.57 0.03 5.32 2.01 -1.26 -0.47 115.64 122.60 3kas s THR 229 Ca 0.02 -0.68 -0.02 0.00 0.31 0.00 0.00 61.69 61.33 3kas s THR 229 Cb -0.03 -1.43 0.01 0.00 0.01 0.00 0.00 72.50 71.05 3kas s THR 229 CO -0.00 0.45 0.10 0.61 -0.69 0.00 0.00 174.62 175.10 3kas n GLY 230 N 4.25 1.44 3.76 4.40 0.00 -0.24 -4.98 105.19 113.81 3kas n GLY 230 Ca -0.19 -0.97 -0.33 0.00 0.00 0.00 0.00 46.02 44.52 3kas n GLY 230 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3kas s LYS 231 N -2.01 2.59 -0.13 1.61 2.20 -1.26 0.31 119.74 123.04 3kas s LYS 231 Ca 0.02 1.48 -0.01 0.00 -0.36 0.00 0.00 55.97 57.10 3kas s LYS 231 Cb -0.00 -1.92 -0.02 0.00 -1.51 0.00 0.00 37.83 34.38 3kas s LYS 231 CO 0.01 -1.43 -0.09 -1.17 -0.36 0.00 0.00 175.35 172.31 3kas s LEU 232 N -5.00 2.98 -0.06 5.43 2.96 -1.26 -0.32 118.68 123.42 3kas s LEU 232 Ca 0.69 -0.21 0.02 0.00 -0.22 0.00 0.00 54.13 54.40 3kas s LEU 232 Cb -0.23 -1.69 0.02 0.00 0.50 0.00 0.00 46.19 44.79 3kas s LEU 232 CO 0.43 0.19 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.87 3kas s VAL 233 N 0.19 0.89 0.18 1.68 1.01 -0.16 -2.60 120.40 121.59 3kas s VAL 233 Ca -0.05 -0.34 -0.26 0.00 0.00 0.00 0.00 61.98 61.33 3kas s VAL 233 Cb -0.14 -0.84 -0.08 0.00 0.00 0.00 0.00 36.38 35.31 3kas s VAL 233 CO 0.04 0.30 0.79 -2.28 0.00 0.00 0.00 175.10 173.95 3kas s HIS 234 N 0.73 3.91 -0.11 5.22 2.46 -0.26 -0.16 115.29 127.09 3kas s HIS 234 Ca -0.13 1.66 0.24 0.00 0.47 0.00 0.00 55.06 57.30 3kas s HIS 234 Cb -0.15 -2.79 0.46 0.00 -0.13 0.00 0.00 32.58 29.97 3kas s HIS 234 CO 0.02 0.51 1.15 0.00 -2.47 0.00 0.00 174.74 173.95 3kas n ALA 235 N 1.56 2.54 -0.69 1.58 0.00 -0.59 -4.90 120.51 120.01 3kas n ALA 235 Ca -0.05 -2.56 0.00 0.00 0.00 0.00 0.00 53.44 50.83 3kas n ALA 235 Cb 0.49 -0.77 0.00 0.00 0.00 0.00 0.00 19.45 19.17 3kas n ALA 235 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3kas n ASN 236 N 0.02 0.00 -0.53 0.00 5.15 -1.26 -0.01 115.26 118.63 3kas n ASN 236 Ca 0.08 0.00 0.14 0.00 -0.60 0.00 0.00 54.58 54.19 3kas n ASN 236 Cb 1.00 0.00 0.48 0.00 -0.53 0.00 0.00 39.78 40.73 3kas n ASN 236 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 3kas n PHE 237 N 9.75 0.00 -1.80 1.20 3.01 -1.26 0.67 117.46 129.03 3kas n PHE 237 Ca 0.00 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.30 3kas n PHE 237 Cb 0.00 -0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.42 3kas n PHE 237 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3kas n GLY 238 N 1.20 0.90 3.78 1.37 0.00 0.99 -4.79 105.19 108.62 3kas n GLY 238 Ca 0.18 -0.22 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 3kas n GLY 238 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kas s THR 239 N -2.69 3.42 0.25 2.61 -4.23 -1.26 -4.50 115.64 109.24 3kas s THR 239 Ca 0.00 0.52 -0.03 0.00 -1.18 0.00 0.00 61.69 61.00 3kas s THR 239 Cb 0.00 -3.05 0.23 0.00 1.34 0.00 0.00 72.50 71.02 3kas s THR 239 CO 0.00 -0.55 1.74 0.50 -0.54 0.00 0.00 174.62 175.78 3kas h LYS 240 N -0.70 0.49 -0.34 3.99 3.64 -1.95 -1.46 116.57 120.25 3kas h LYS 240 Ca -0.45 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 58.86 3kas h LYS 240 Cb 1.23 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.93 3kas h LYS 240 CO 0.53 0.33 0.03 -0.22 -2.27 0.00 0.00 179.45 177.85 3kas h LYS 241 N 0.51 0.57 -1.00 1.90 3.64 -2.00 -3.03 116.57 117.17 3kas h LYS 241 Ca 0.43 -0.17 0.20 0.00 -1.27 0.00 0.00 60.65 59.84 3kas h LYS 241 Cb 0.64 -0.06 -0.10 0.00 -0.41 0.00 0.00 32.23 32.30 3kas h LYS 241 CO -0.39 0.68 0.61 -0.44 -2.27 0.00 0.00 179.45 177.64 3kas h ASP 242 N 0.39 0.72 -0.23 4.20 3.45 -1.62 -1.25 116.42 122.08 3kas h ASP 242 Ca 0.10 0.09 -0.06 0.00 0.43 0.00 0.00 57.03 57.59 3kas h ASP 242 Cb 0.40 -0.04 -0.01 0.00 -0.56 0.00 0.00 39.33 39.12 3kas h ASP 242 CO 0.01 0.25 -0.07 -0.26 -1.57 0.00 0.00 179.24 177.59 3kas h PHE 243 N 0.69 0.52 -0.32 4.55 -1.00 -1.32 -3.15 116.94 116.91 3kas h PHE 243 Ca 0.57 -0.12 -0.05 0.00 2.81 0.00 0.00 57.97 61.18 3kas h PHE 243 Cb 0.98 -0.13 -0.02 0.00 3.61 0.00 0.00 35.95 40.40 3kas h PHE 243 CO -0.00 0.71 -0.00 0.93 -1.61 0.00 0.00 178.31 178.33 3kas h GLU 244 N 0.19 0.50 0.00 1.51 5.08 -1.22 -2.00 114.58 118.63 3kas h GLU 244 Ca 0.06 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3kas h GLU 244 Cb 0.55 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.72 3kas h GLU 244 CO 0.03 0.53 0.00 -0.25 -1.00 0.00 0.00 179.01 178.31 3kas n ASP 245 N -4.29 0.00 -4.73 1.42 9.92 -0.56 -4.82 116.55 113.50 3kas n ASP 245 Ca 0.01 -0.87 -0.41 0.00 -0.53 0.00 0.00 54.79 52.99 3kas n ASP 245 Cb 0.24 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 40.68 3kas n ASP 245 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 3kas s LEU 246 N -1.91 4.48 0.00 0.64 1.43 -0.76 -4.92 118.68 117.64 3kas s LEU 246 Ca 0.35 1.95 0.23 0.00 -1.03 0.00 0.00 54.13 55.63 3kas s LEU 246 Cb 0.16 -3.59 0.48 0.00 0.03 0.00 0.00 46.19 43.27 3kas s LEU 246 CO 0.27 -0.19 1.43 0.00 0.23 0.00 0.00 176.35 178.08 3kas n TYR 247 N 2.74 0.34 -4.41 0.29 9.36 -1.26 -4.78 117.16 119.44 3kas n TYR 247 Ca 0.03 -0.17 -0.33 0.00 3.32 0.00 0.00 57.90 60.75 3kas n TYR 247 Cb 0.47 0.00 -0.16 0.00 -0.63 0.00 0.00 39.34 39.03 3kas n TYR 247 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 3kas s THR 248 N -1.66 2.39 0.09 2.97 2.01 -1.26 -5.09 115.64 115.08 3kas s THR 248 Ca 0.36 -0.85 -0.31 0.00 0.31 0.00 0.00 61.69 61.19 3kas s THR 248 Cb 0.21 -2.00 -0.08 0.00 0.01 0.00 0.00 72.50 70.64 3kas s THR 248 CO 0.30 0.52 1.47 -2.84 -0.69 0.00 0.00 174.62 173.38 3kas s PRO 249 N 1.00 4.27 0.48 4.92 0.02 -1.26 -4.90 135.00 139.53 3kas s PRO 249 Ca -0.02 2.14 0.27 0.00 0.02 0.00 0.00 61.00 63.41 3kas s PRO 249 Cb -0.15 -3.38 0.72 0.00 0.02 0.00 0.00 34.50 31.72 3kas s PRO 249 CO -0.04 -0.55 1.75 0.28 -0.33 0.00 0.00 177.00 178.11 3kas h VAL 250 N 4.48 0.00 -2.32 3.83 2.07 -1.95 -3.46 116.25 118.90 3kas h VAL 250 Ca -0.41 -0.81 -0.62 0.00 0.82 0.00 0.00 66.70 65.68 3kas h VAL 250 Cb 1.20 1.81 0.09 0.00 -1.52 0.00 0.00 31.29 32.88 3kas h VAL 250 CO 0.89 0.00 0.26 -0.46 0.02 0.00 0.00 177.57 178.29 3kas n ASN 251 N -3.09 1.57 0.00 0.57 0.23 -1.25 -0.79 115.26 112.51 3kas n ASN 251 Ca 0.03 1.16 0.00 0.00 -0.53 0.00 0.00 54.58 55.24 3kas n ASN 251 Cb 0.45 -1.29 0.00 0.00 -2.08 0.00 0.00 39.78 36.86 3kas n ASN 251 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3kas n GLY 252 N 1.65 0.15 3.67 4.83 0.00 -0.67 -4.93 105.19 109.90 3kas n GLY 252 Ca 0.12 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 3kas n GLY 252 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kas s SER 253 N -2.08 4.76 0.31 1.61 0.01 0.03 -4.56 113.70 113.79 3kas s SER 253 Ca 0.00 -0.47 -0.27 0.00 1.31 0.00 0.00 55.95 56.52 3kas s SER 253 Cb 0.00 -0.99 -0.10 0.00 0.21 0.00 0.00 66.02 65.14 3kas s SER 253 CO 0.00 0.04 0.95 -0.63 0.41 0.00 0.00 173.24 174.02 3kas s ILE 254 N -1.99 4.14 0.00 1.44 1.01 0.56 -1.09 121.20 125.28 3kas s ILE 254 Ca 0.29 1.84 0.06 0.00 0.00 0.00 0.00 60.65 62.84 3kas s ILE 254 Cb -0.08 -4.05 -0.03 0.00 0.01 0.00 0.00 42.46 38.32 3kas s ILE 254 CO 0.20 0.20 -0.17 -0.69 0.00 0.00 0.00 174.94 174.48 3kas s VAL 255 N -1.54 2.86 -0.08 2.92 1.01 -0.08 -0.99 120.40 124.50 3kas s VAL 255 Ca 0.49 -0.99 0.04 0.00 0.00 0.00 0.00 61.98 61.52 3kas s VAL 255 Cb -0.20 -2.16 -0.01 0.00 0.00 0.00 0.00 36.38 34.01 3kas s VAL 255 CO 0.26 0.45 -0.22 -0.51 0.00 0.00 0.00 175.10 175.08 3kas s ILE 256 N -0.83 2.27 0.07 2.22 2.07 0.78 -0.18 121.20 127.59 3kas s ILE 256 Ca 0.13 -0.97 0.03 0.00 -1.41 0.00 0.00 60.65 58.43 3kas s ILE 256 Cb -0.11 -1.86 -0.03 0.00 0.13 0.00 0.00 42.46 40.59 3kas s ILE 256 CO 0.03 0.56 -0.09 0.68 -1.91 0.00 0.00 174.94 174.21 3kas s VAL 257 N 0.07 0.72 0.38 4.00 -7.23 -0.23 -1.54 120.40 116.57 3kas s VAL 257 Ca -0.10 -1.39 -0.25 0.00 -1.81 0.00 0.00 61.98 58.44 3kas s VAL 257 Cb -0.16 -1.03 -0.09 0.00 0.56 0.00 0.00 36.38 35.67 3kas s VAL 257 CO 0.06 -0.50 1.07 -0.13 -0.31 0.00 0.00 175.10 175.29 3kas s ARG 258 N -2.29 4.21 0.74 4.82 0.52 0.21 -2.19 118.95 124.97 3kas s ARG 258 Ca -0.02 1.58 -0.13 0.00 -0.52 0.00 0.00 55.73 56.64 3kas s ARG 258 Cb -0.06 -2.64 0.04 0.00 0.52 0.00 0.00 34.95 32.82 3kas s ARG 258 CO -0.00 -0.12 1.14 0.00 0.02 0.00 0.00 175.30 176.34 3kas s ALA 259 N -1.57 2.17 0.00 2.13 0.00 0.09 -4.52 121.76 120.06 3kas s ALA 259 Ca 0.56 0.62 0.00 0.00 0.00 0.00 0.00 51.96 53.14 3kas s ALA 259 Cb -0.24 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.50 3kas s ALA 259 CO 0.30 -1.79 0.00 0.41 0.00 0.00 0.00 175.76 174.69 3kas n GLY 260 N -0.22 1.47 5.00 0.00 0.00 -1.26 -4.90 105.19 105.28 3kas n GLY 260 Ca 0.11 -2.16 0.00 0.00 0.00 0.00 0.00 46.02 43.98 3kas n GLY 260 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kas n LYS 261 N -0.13 0.00 -4.23 1.61 4.76 -1.26 -4.74 118.16 114.17 3kas n LYS 261 Ca 0.00 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.31 3kas n LYS 261 Cb 0.00 0.00 -0.10 0.00 -1.84 0.00 0.00 35.03 33.09 3kas n LYS 261 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 3kas s ILE 262 N 0.00 0.58 0.80 -0.18 -4.36 -1.26 -5.15 121.20 111.64 3kas s ILE 262 Ca 0.00 -1.97 -0.12 0.00 -0.26 0.00 0.00 60.65 58.30 3kas s ILE 262 Cb 0.00 -2.14 0.08 0.00 1.25 0.00 0.00 42.46 41.65 3kas s ILE 262 CO 0.00 -0.45 1.13 0.42 0.24 0.00 0.00 174.94 176.29 3kas s THR 263 N -3.72 2.68 0.18 8.37 -4.23 -1.26 -4.85 115.64 112.80 3kas s THR 263 Ca 0.25 0.25 -0.13 0.00 -1.18 0.00 0.00 61.69 60.88 3kas s THR 263 Cb 0.06 -2.59 0.07 0.00 1.34 0.00 0.00 72.50 71.39 3kas s THR 263 CO 0.04 -0.26 1.78 -0.26 -0.54 0.00 0.00 174.62 175.39 3kas h PHE 264 N -1.12 0.46 -1.00 3.99 0.05 -1.96 -2.23 116.94 115.12 3kas h PHE 264 Ca -0.44 0.02 0.19 0.00 3.82 0.00 0.00 57.97 61.55 3kas h PHE 264 Cb 1.26 -0.13 -0.10 0.00 2.00 0.00 0.00 35.95 38.97 3kas h PHE 264 CO 0.53 0.22 0.61 0.00 -0.18 0.00 0.00 178.31 179.49 3kas h ALA 265 N 1.27 1.68 -0.11 2.45 0.00 -1.76 -0.15 119.26 122.64 3kas h ALA 265 Ca 0.22 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.14 3kas h ALA 265 Cb 0.13 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3kas h ALA 265 CO -0.16 -0.04 -0.19 0.93 0.00 0.00 0.00 179.25 179.79 3kas h GLU 266 N 0.77 0.33 -0.31 0.00 5.08 -1.78 -2.03 114.58 116.64 3kas h GLU 266 Ca 0.57 -0.20 0.07 0.00 -1.00 0.00 0.00 59.36 58.80 3kas h GLU 266 Cb 0.88 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 30.09 3kas h GLU 266 CO -0.37 0.79 -0.13 0.87 -1.00 0.00 0.00 179.01 179.18 3kas h LYS 267 N -0.10 -0.07 -0.16 2.33 1.57 -0.76 0.30 116.57 119.69 3kas h LYS 267 Ca 0.01 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.82 3kas h LYS 267 Cb 0.77 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.07 3kas h LYS 267 CO 0.04 -0.04 -0.00 0.28 -0.57 0.00 0.00 179.45 179.16 3kas h VAL 268 N -0.07 0.88 0.08 0.50 2.07 -1.09 -1.04 116.25 117.58 3kas h VAL 268 Ca 0.16 -0.02 0.01 0.00 0.82 0.00 0.00 66.70 67.67 3kas h VAL 268 Cb 0.31 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 3kas h VAL 268 CO -0.36 0.01 -0.12 0.00 0.02 0.00 0.00 177.57 177.11 3kas h ALA 269 N 1.14 -0.20 -0.58 1.67 0.00 -0.72 0.57 119.26 121.13 3kas h ALA 269 Ca 0.08 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.06 3kas h ALA 269 Cb 0.09 0.19 -0.07 0.00 0.00 0.00 0.00 17.79 18.00 3kas h ALA 269 CO -0.13 -0.64 0.20 -0.91 0.00 0.00 0.00 179.25 177.77 3kas h ASN 270 N -0.25 0.18 -0.26 0.00 2.35 -0.27 0.43 115.58 117.76 3kas h ASN 270 Ca 0.02 0.08 -0.04 0.00 -0.55 0.00 0.00 56.30 55.80 3kas h ASN 270 Cb 0.26 0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.69 3kas h ASN 270 CO -0.07 0.12 -0.01 0.00 -1.65 0.00 0.00 177.43 175.82 3kas h ALA 271 N 1.41 0.36 -0.40 -0.83 0.00 -0.90 -2.78 119.26 116.11 3kas h ALA 271 Ca 0.29 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3kas h ALA 271 Cb 0.36 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3kas h ALA 271 CO -0.31 0.10 0.15 1.49 0.00 0.00 0.00 179.25 180.68 3kas h GLU 272 N 0.25 0.56 0.00 0.00 4.81 0.66 0.29 114.58 121.15 3kas h GLU 272 Ca 0.07 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3kas h GLU 272 Cb 0.43 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.70 3kas h GLU 272 CO 0.01 0.48 -0.02 1.03 -0.73 0.00 0.00 179.01 179.79 3kas h SER 273 N 0.56 0.00 -0.49 1.04 0.87 0.12 -1.22 113.55 114.43 3kas h SER 273 Ca 0.14 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 3kas h SER 273 Cb 0.13 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.09 3kas h SER 273 CO -0.01 0.02 0.00 0.18 -0.53 0.00 0.00 176.83 176.48 3kas n LEU 274 N -3.54 3.45 -0.74 2.23 4.77 0.03 -4.97 117.00 118.23 3kas n LEU 274 Ca -0.03 -2.09 -0.07 0.00 -0.03 0.00 0.00 56.01 53.79 3kas n LEU 274 Cb 0.11 -0.36 -0.01 0.00 -2.33 0.00 0.00 43.42 40.82 3kas n LEU 274 CO 0.25 0.82 -0.09 0.59 -1.33 0.00 0.00 177.39 177.63 3kas n ASN 275 N 0.86 -3.17 -4.74 -1.43 3.02 -0.46 -3.74 115.26 105.61 3kas n ASN 275 Ca 0.17 0.06 -0.35 0.00 -0.03 0.00 0.00 54.58 54.44 3kas n ASN 275 Cb 0.55 -2.06 0.07 0.00 -0.61 0.00 0.00 39.78 37.73 3kas n ASN 275 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kas s ALA 276 N -2.33 2.30 -1.81 5.41 0.00 -0.83 -1.67 121.76 122.82 3kas s ALA 276 Ca 0.00 0.94 0.16 0.00 0.00 0.00 0.00 51.96 53.06 3kas s ALA 276 Cb 0.00 -3.47 0.08 0.00 0.00 0.00 0.00 23.12 19.74 3kas s ALA 276 CO 0.00 -1.60 0.95 0.44 0.00 0.00 0.00 175.76 175.55 3kas n ILE 277 N -2.27 0.00 -3.61 0.00 -5.35 -0.25 -4.65 119.36 103.23 3kas n ILE 277 Ca 0.14 -0.44 -0.03 0.00 -0.27 0.00 0.00 62.75 62.14 3kas n ILE 277 Cb 0.50 1.28 -0.02 0.00 -1.74 0.00 0.00 39.64 39.66 3kas n ILE 277 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3kas s GLY 278 N -1.53 -0.29 -0.04 3.28 0.00 -1.26 -4.15 107.32 103.34 3kas s GLY 278 Ca 0.17 1.56 0.01 0.00 0.00 0.00 0.00 44.72 46.46 3kas s GLY 278 CO 0.27 0.50 -0.03 0.14 0.00 0.00 0.00 173.10 173.98 3kas s VAL 279 N -2.31 0.41 0.03 1.40 1.01 -0.39 -0.90 120.40 119.64 3kas s VAL 279 Ca 0.11 -0.06 0.03 0.00 0.00 0.00 0.00 61.98 62.06 3kas s VAL 279 Cb -0.00 -0.46 -0.04 0.00 0.00 0.00 0.00 36.38 35.89 3kas s VAL 279 CO -0.04 0.19 -0.01 -0.76 0.00 0.00 0.00 175.10 174.49 3kas s LEU 280 N 0.91 3.45 -0.04 3.92 1.43 0.75 -1.13 118.68 127.98 3kas s LEU 280 Ca -0.11 -0.07 0.01 0.00 -1.03 0.00 0.00 54.13 52.93 3kas s LEU 280 Cb -0.14 -2.04 0.02 0.00 0.03 0.00 0.00 46.19 44.06 3kas s LEU 280 CO -0.00 0.25 -0.06 -0.63 0.23 0.00 0.00 176.35 176.14 3kas s ILE 281 N -1.14 0.60 0.28 -0.59 1.01 -0.20 -1.06 121.20 120.09 3kas s ILE 281 Ca 0.21 -0.18 0.04 0.00 0.00 0.00 0.00 60.65 60.72 3kas s ILE 281 Cb -0.12 -0.60 -0.06 0.00 0.01 0.00 0.00 42.46 41.70 3kas s ILE 281 CO 0.12 0.23 0.02 -0.72 0.00 0.00 0.00 174.94 174.59 3kas s TYR 282 N 0.78 1.79 -0.41 3.97 -0.85 -0.93 -0.14 117.35 121.55 3kas s TYR 282 Ca -0.11 -0.92 -0.10 0.00 -0.52 0.00 0.00 57.07 55.42 3kas s TYR 282 Cb -0.14 -1.09 0.07 0.00 0.38 0.00 0.00 41.96 41.17 3kas s TYR 282 CO 0.01 0.01 0.26 -1.64 -1.52 0.00 0.00 175.55 172.67 3kas s MET 283 N -3.86 2.70 0.67 -3.49 -1.94 -1.26 -0.73 119.30 111.39 3kas s MET 283 Ca 0.33 -1.35 -0.14 0.00 -1.71 0.00 0.00 55.69 52.81 3kas s MET 283 Cb 0.07 -3.81 0.01 0.00 2.01 0.00 0.00 34.83 33.10 3kas s MET 283 CO 0.12 -0.90 1.10 0.16 -0.01 0.00 0.00 175.02 175.50 3kas s ASP 284 N 2.04 5.06 0.40 3.03 -4.77 -1.26 -4.60 116.67 116.57 3kas s ASP 284 Ca 0.03 1.96 0.20 0.00 -3.30 0.00 0.00 52.55 51.44 3kas s ASP 284 Cb -0.22 -2.55 0.76 0.00 -1.09 0.00 0.00 42.92 39.82 3kas s ASP 284 CO 0.04 -1.66 1.77 -0.61 0.70 0.00 0.00 175.17 175.41 3kas h GLN 285 N -0.11 0.00 -0.38 2.11 4.15 -1.96 0.28 115.11 119.20 3kas h GLN 285 Ca -0.46 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 58.93 3kas h GLN 285 Cb 1.24 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.92 3kas h GLN 285 CO 0.54 0.33 0.12 1.15 -1.93 0.00 0.00 178.83 179.04 3kas h THR 286 N 0.00 1.21 0.00 2.39 2.02 -1.91 -1.84 112.91 114.78 3kas h THR 286 Ca -0.00 -0.68 -0.06 0.00 0.77 0.00 0.00 66.41 66.44 3kas h THR 286 Cb 0.84 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 68.18 3kas h THR 286 CO 0.04 0.24 -0.68 0.11 0.37 0.00 0.00 175.52 175.60 3kas h LYS 287 N 0.46 0.00 -2.17 6.66 1.79 -1.88 -3.40 116.57 118.03 3kas h LYS 287 Ca 0.12 0.00 -0.58 0.00 -2.18 0.00 0.00 60.65 58.02 3kas h LYS 287 Cb 0.24 0.00 -0.39 0.00 -1.58 0.00 0.00 32.23 30.50 3kas h LYS 287 CO -0.00 0.18 -0.99 1.19 -1.08 0.00 0.00 179.45 178.74 3kas n PHE 288 N -2.97 0.13 -0.03 -1.35 3.01 0.08 -4.74 117.46 111.60 3kas n PHE 288 Ca -0.00 -3.60 -0.01 0.00 1.01 0.00 0.00 57.45 54.85 3kas n PHE 288 Cb 0.64 -0.23 -0.00 0.00 -0.01 0.00 0.00 39.48 39.88 3kas n PHE 288 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 3kas n PRO 289 N 1.74 0.07 -3.40 -1.08 -0.04 -0.70 -4.35 135.00 127.24 3kas n PRO 289 Ca 0.24 -0.50 -0.37 0.00 -0.04 0.00 0.00 63.50 62.83 3kas n PRO 289 Cb 0.49 -1.98 -0.06 0.00 -0.04 0.00 0.00 33.50 31.91 3kas n PRO 289 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3kas s ILE 290 N 4.80 5.22 0.03 0.52 1.01 -1.26 -5.00 121.20 126.51 3kas s ILE 290 Ca 0.01 0.81 -0.25 0.00 0.00 0.00 0.00 60.65 61.22 3kas s ILE 290 Cb 0.00 -3.75 -0.17 0.00 0.01 0.00 0.00 42.46 38.55 3kas s ILE 290 CO -0.00 0.36 1.46 0.58 0.00 0.00 0.00 174.94 177.34 3kas h VAL 291 N 4.64 0.96 -2.50 2.92 2.07 -2.01 -3.40 116.25 118.93 3kas h VAL 291 Ca -0.42 -0.48 -0.56 0.00 0.82 0.00 0.00 66.70 66.06 3kas h VAL 291 Cb 1.18 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 32.17 3kas h VAL 291 CO 0.75 0.11 1.30 0.21 0.02 0.00 0.00 177.57 179.96 3kas s ASN 292 N -5.22 5.73 0.00 0.57 2.47 -1.26 -4.85 114.94 112.37 3kas s ASN 292 Ca -0.15 1.07 0.30 0.00 0.42 0.00 0.00 52.86 54.51 3kas s ASN 292 Cb 0.03 -2.53 1.51 0.00 -1.45 0.00 0.00 41.25 38.82 3kas s ASN 292 CO 0.63 -1.88 2.04 0.00 -3.72 0.00 0.00 177.10 174.16 3kas n ALA 293 N 10.94 2.57 1.31 1.71 0.00 -1.26 -3.30 120.51 132.48 3kas n ALA 293 Ca 0.23 -0.18 0.13 0.00 0.00 0.00 0.00 53.44 53.62 3kas n ALA 293 Cb 0.48 -1.46 0.37 0.00 0.00 0.00 0.00 19.45 18.84 3kas n ALA 293 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3kas n GLU 294 N -1.18 1.64 -1.70 0.00 -0.58 -1.26 -1.14 120.64 116.42 3kas n GLU 294 Ca 0.16 -1.10 -0.43 0.00 -0.42 0.00 0.00 57.16 55.36 3kas n GLU 294 Cb 0.23 -1.48 -0.03 0.00 -0.57 0.00 0.00 31.44 29.59 3kas n GLU 294 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 3kas n LEU 295 N 0.28 3.79 -4.86 -4.62 7.94 -1.21 -4.82 117.00 113.50 3kas n LEU 295 Ca 0.16 1.04 -0.23 0.00 -1.11 0.00 0.00 56.01 55.87 3kas n LEU 295 Cb 0.42 -1.53 -0.04 0.00 0.53 0.00 0.00 43.42 42.80 3kas n LEU 295 CO 0.19 0.07 -0.15 -0.94 -1.11 0.00 0.00 177.39 175.45 3kas s SER 296 N 1.64 5.74 0.20 1.96 1.04 -1.26 -4.30 113.70 118.71 3kas s SER 296 Ca 0.78 -0.13 -0.05 0.00 0.48 0.00 0.00 55.95 57.03 3kas s SER 296 Cb -0.54 -1.54 -0.03 0.00 0.10 0.00 0.00 66.02 64.01 3kas s SER 296 CO 0.36 -0.02 0.23 0.72 0.98 0.00 0.00 173.24 175.51 3kas s PHE 297 N -2.00 0.81 0.14 5.02 -0.00 -1.26 -4.44 117.98 116.25 3kas s PHE 297 Ca 0.33 -1.11 0.07 0.00 -0.00 0.00 0.00 56.93 56.22 3kas s PHE 297 Cb -0.09 -0.29 -0.04 0.00 -0.00 0.00 0.00 43.02 42.60 3kas s PHE 297 CO 0.26 -0.72 -0.16 0.12 -0.00 0.00 0.00 175.22 174.71 3kas s PHE 298 N -4.08 1.58 0.02 3.49 5.36 -0.24 -3.42 117.98 120.69 3kas s PHE 298 Ca 0.30 -0.51 -0.16 0.00 -0.96 0.00 0.00 56.93 55.59 3kas s PHE 298 Cb 0.05 -0.81 0.05 0.00 -0.34 0.00 0.00 43.02 41.97 3kas s PHE 298 CO 0.08 0.22 0.74 0.41 -1.46 0.00 0.00 175.22 175.21 3kas n GLY 299 N 0.48 0.51 3.34 13.12 0.00 -1.19 -4.72 105.19 116.73 3kas n GLY 299 Ca -0.15 -0.99 -0.18 0.00 0.00 0.00 0.00 46.02 44.70 3kas n GLY 299 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3kas s HIS 300 N -2.75 1.64 -0.14 1.61 -3.43 -1.26 -0.59 115.29 110.37 3kas s HIS 300 Ca 0.17 -0.72 0.14 0.00 -0.80 0.00 0.00 55.06 53.85 3kas s HIS 300 Cb -0.01 -0.87 0.35 0.00 -1.43 0.00 0.00 32.58 30.62 3kas s HIS 300 CO 0.01 0.19 1.18 0.00 -2.00 0.00 0.00 174.74 174.11 3kas n ALA 301 N -0.40 2.95 -2.55 -1.38 0.00 -0.58 -3.51 120.51 115.04 3kas n ALA 301 Ca -0.07 -2.81 -0.43 0.00 0.00 0.00 0.00 53.44 50.13 3kas n ALA 301 Cb 0.62 -0.42 -0.02 0.00 0.00 0.00 0.00 19.45 19.63 3kas n ALA 301 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3kas s HIS 302 N -2.49 3.11 -1.57 0.00 5.04 -1.26 -4.39 115.29 113.72 3kas s HIS 302 Ca 0.33 1.25 -0.10 0.00 -1.54 0.00 0.00 55.06 55.00 3kas s HIS 302 Cb 0.32 -3.38 -0.05 0.00 0.04 0.00 0.00 32.58 29.51 3kas s HIS 302 CO -0.05 -1.06 2.79 -0.11 -2.34 0.00 0.00 174.74 173.97 3kas n LEU 303 N 6.42 8.39 0.00 8.88 7.94 -0.38 -4.74 117.00 143.51 3kas n LEU 303 Ca 0.13 -4.37 0.00 0.00 -1.11 0.00 0.00 56.01 50.65 3kas n LEU 303 Cb 0.45 -1.56 0.00 0.00 0.53 0.00 0.00 43.42 42.84 3kas n LEU 303 CO 0.54 1.91 0.00 0.61 -1.11 0.00 0.00 177.39 179.34 3kas n GLY 304 N 3.52 -0.64 3.42 -3.96 0.00 -1.26 -4.74 105.19 101.53 3kas n GLY 304 Ca 0.73 -0.52 -0.21 0.00 0.00 0.00 0.00 46.02 46.02 3kas n GLY 304 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kas s THR 305 N -3.39 0.87 0.01 2.61 -4.23 -1.26 -4.87 115.64 105.37 3kas s THR 305 Ca 0.00 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 3kas s THR 305 Cb 0.00 -2.65 0.00 0.00 1.34 0.00 0.00 72.50 71.19 3kas s THR 305 CO 0.00 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 3kas n GLY 306 N -0.67 -2.24 3.66 3.99 0.00 -0.87 -4.74 105.19 104.32 3kas n GLY 306 Ca -0.02 -1.52 -0.43 0.00 0.00 0.00 0.00 46.02 44.05 3kas n GLY 306 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3kas s ASP 307 N -2.35 6.90 0.34 1.61 -1.08 -1.26 -4.81 116.67 116.03 3kas s ASP 307 Ca 0.00 1.78 0.14 0.00 -0.52 0.00 0.00 52.55 53.94 3kas s ASP 307 Cb 0.00 -2.54 0.61 0.00 -1.46 0.00 0.00 42.92 39.53 3kas s ASP 307 CO 0.00 -0.79 1.74 -0.65 0.52 0.00 0.00 175.17 175.99 3kas h PRO 308 N 8.41 0.00 -2.86 4.34 0.11 -1.85 -3.33 132.00 136.81 3kas h PRO 308 Ca -0.28 0.00 -0.80 0.00 0.11 0.00 0.00 66.00 65.03 3kas h PRO 308 Cb 1.11 0.00 -0.25 0.00 0.11 0.00 0.00 31.00 31.97 3kas h PRO 308 CO 0.97 0.46 1.07 0.66 -0.21 0.00 0.00 178.00 180.94 3kas n TYR 309 N -3.86 2.42 -3.61 0.65 4.02 -1.26 -4.88 117.16 110.64 3kas n TYR 309 Ca -0.01 -2.60 -0.38 0.00 -0.01 0.00 0.00 57.90 54.90 3kas n TYR 309 Cb 0.50 -1.36 -0.06 0.00 -0.02 0.00 0.00 39.34 38.39 3kas n TYR 309 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 3kas s THR 310 N -2.58 4.43 0.16 -0.72 2.01 -1.25 -4.80 115.64 112.89 3kas s THR 310 Ca 0.34 -3.54 -0.30 0.00 0.31 0.00 0.00 61.69 58.50 3kas s THR 310 Cb 0.09 -3.76 -0.08 0.00 0.01 0.00 0.00 72.50 68.75 3kas s THR 310 CO 0.05 -1.04 1.33 -2.16 -0.69 0.00 0.00 174.62 172.10 3kas s PRO 311 N -0.95 4.37 0.00 4.92 0.04 -1.26 -4.86 135.00 137.25 3kas s PRO 311 Ca 0.25 2.05 0.14 0.00 0.04 0.00 0.00 61.00 63.48 3kas s PRO 311 Cb -0.11 -3.22 0.84 0.00 0.04 0.00 0.00 34.50 32.05 3kas s PRO 311 CO -0.10 -0.31 1.29 0.41 0.04 0.00 0.00 177.00 178.33 3kas n GLY 312 N 2.77 -0.49 2.97 0.56 0.00 -1.26 -4.65 105.19 105.09 3kas n GLY 312 Ca 0.08 -0.09 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 3kas n GLY 312 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3kas s PHE 313 N -2.08 0.25 0.64 1.61 -0.71 -1.26 -5.16 117.98 111.26 3kas s PHE 313 Ca 0.20 -0.49 -0.13 0.00 -1.04 0.00 0.00 56.93 55.48 3kas s PHE 313 Cb 0.10 -0.18 -0.02 0.00 -1.21 0.00 0.00 43.02 41.71 3kas s PHE 313 CO 0.17 -0.17 1.05 -1.25 -1.34 0.00 0.00 175.22 173.68 3kas s PRO 314 N -1.35 3.24 0.00 1.99 0.05 -1.26 -5.15 135.00 132.52 3kas s PRO 314 Ca -0.15 1.01 0.00 0.00 0.05 0.00 0.00 61.00 61.91 3kas s PRO 314 Cb -0.09 -2.03 0.00 0.00 0.05 0.00 0.00 34.50 32.43 3kas s PRO 314 CO -0.01 -0.86 0.00 -1.13 0.05 0.00 0.00 177.00 175.05 3kas n SER 315 N -2.59 0.00 0.00 6.66 3.41 -1.26 -5.11 113.62 114.74 3kas n SER 315 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 3kas n SER 315 Cb 0.53 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 3kas n SER 315 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3kas n THR 319 N 0.00 0.00 -2.62 6.66 -2.24 -1.26 -5.10 114.28 109.73 3kas n THR 319 Ca 0.00 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.41 3kas n THR 319 Cb 0.00 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.18 3kas n THR 319 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3kas s GLN 320 N 0.00 4.32 -0.20 -0.78 -1.52 -1.26 -5.05 119.66 115.16 3kas s GLN 320 Ca 0.00 1.46 0.01 0.00 -1.95 0.00 0.00 55.36 54.89 3kas s GLN 320 Cb 0.00 -2.64 0.04 0.00 -0.22 0.00 0.00 33.01 30.19 3kas s GLN 320 CO 0.00 0.00 -0.14 -0.06 -0.25 0.00 0.00 175.29 174.84 3kas s PHE 321 N -1.64 2.70 -0.11 0.91 0.08 -1.26 -5.12 117.98 113.54 3kas s PHE 321 Ca 0.55 -1.73 -0.05 0.00 0.12 0.00 0.00 56.93 55.81 3kas s PHE 321 Cb -0.21 -1.79 -0.04 0.00 -0.57 0.00 0.00 43.02 40.41 3kas s PHE 321 CO 0.27 -0.79 0.08 -1.25 -0.10 0.00 0.00 175.22 173.43 3kas s PRO 322 N 1.30 3.32 1.03 0.24 0.05 -1.26 -5.13 135.00 134.56 3kas s PRO 322 Ca -0.00 -0.25 -0.11 0.00 0.05 0.00 0.00 61.00 60.68 3kas s PRO 322 Cb -0.16 -3.05 0.21 0.00 0.05 0.00 0.00 34.50 31.56 3kas s PRO 322 CO -0.09 0.71 1.08 -2.14 0.05 0.00 0.00 177.00 176.61 3kas s PRO 323 N -0.85 0.09 -0.11 0.56 0.02 -1.26 -5.02 135.00 128.43 3kas s PRO 323 Ca 0.13 1.14 -0.00 0.00 0.02 0.00 0.00 61.00 62.29 3kas s PRO 323 Cb -0.12 -1.65 -0.25 0.00 0.02 0.00 0.00 34.50 32.51 3kas s PRO 323 CO 0.03 -3.13 0.40 0.43 -0.33 0.00 0.00 177.00 174.40 3kas n SER 324 N -4.54 1.71 0.00 2.53 7.64 -1.26 -5.06 113.62 114.65 3kas n SER 324 Ca 0.07 0.24 0.00 0.00 1.01 0.00 0.00 58.87 60.19 3kas n SER 324 Cb 0.53 -0.56 0.00 0.00 -1.01 0.00 0.00 64.21 63.18 3kas n SER 324 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 3kas n ARG 325 N -3.33 0.00 -1.84 1.43 0.00 -1.26 -4.24 116.66 107.43 3kas n ARG 325 Ca -0.29 0.00 -0.41 0.00 -0.00 0.00 0.00 57.85 57.15 3kas n ARG 325 Cb 1.05 0.00 -0.01 0.00 0.00 0.00 0.00 32.46 33.50 3kas n ARG 325 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 3kas n SER 326 N 8.06 6.63 -0.01 6.15 2.88 -1.26 -4.63 113.62 131.43 3kas n SER 326 Ca 0.00 -2.92 -0.07 0.00 -1.33 0.00 0.00 58.87 54.55 3kas n SER 326 Cb 0.00 -1.50 -0.13 0.00 -0.75 0.00 0.00 64.21 61.82 3kas n SER 326 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3kas n SER 327 N 3.66 0.88 0.00 -3.46 3.41 -1.26 -4.90 113.62 111.94 3kas n SER 327 Ca 0.59 0.42 0.00 0.00 -0.26 0.00 0.00 58.87 59.62 3kas n SER 327 Cb 0.30 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.21 3kas n SER 327 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kas n GLY 328 N 1.53 0.57 3.80 5.00 0.00 -1.26 -4.79 105.19 110.03 3kas n GLY 328 Ca -0.15 -0.27 -0.37 0.00 0.00 0.00 0.00 46.02 45.23 3kas n GLY 328 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kas s LEU 329 N 0.00 4.37 0.42 0.99 1.43 -1.26 -1.24 118.68 123.39 3kas s LEU 329 Ca 0.00 1.58 -0.26 0.00 -1.03 0.00 0.00 54.13 54.42 3kas s LEU 329 Cb 0.00 -3.69 -0.09 0.00 0.03 0.00 0.00 46.19 42.45 3kas s LEU 329 CO 0.00 0.02 1.37 -2.84 0.23 0.00 0.00 176.35 175.13 3kas s PRO 330 N -1.89 3.88 0.00 1.29 0.02 -1.26 -4.94 135.00 132.10 3kas s PRO 330 Ca 0.44 2.29 0.21 0.00 0.02 0.00 0.00 61.00 63.96 3kas s PRO 330 Cb -0.18 -2.75 0.44 0.00 0.02 0.00 0.00 34.50 32.03 3kas s PRO 330 CO 0.23 -0.61 1.38 0.09 -0.33 0.00 0.00 177.00 177.75 3kas n ASN 331 N 0.06 3.42 -4.37 2.53 3.02 -1.26 -4.27 115.26 114.38 3kas n ASN 331 Ca 0.04 -1.96 -0.20 0.00 -0.03 0.00 0.00 54.58 52.42 3kas n ASN 331 Cb 0.42 -0.29 -0.10 0.00 -0.61 0.00 0.00 39.78 39.20 3kas n ASN 331 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 3kas s ILE 332 N -1.26 1.92 0.23 2.41 -4.36 -1.26 -4.90 121.20 113.98 3kas s ILE 332 Ca 0.37 -2.18 -0.30 0.00 -0.26 0.00 0.00 60.65 58.28 3kas s ILE 332 Cb 0.21 -2.05 -0.09 0.00 1.25 0.00 0.00 42.46 41.78 3kas s ILE 332 CO 0.29 -0.49 1.17 -2.84 0.24 0.00 0.00 174.94 173.31 3kas s PRO 333 N -3.41 4.54 0.00 0.37 0.02 -1.26 -2.39 135.00 132.87 3kas s PRO 333 Ca 0.22 1.87 0.03 0.00 0.02 0.00 0.00 61.00 63.15 3kas s PRO 333 Cb -0.03 -3.21 -0.01 0.00 0.02 0.00 0.00 34.50 31.28 3kas s PRO 333 CO 0.08 0.02 -0.09 0.54 -0.33 0.00 0.00 177.00 177.23 3kas s VAL 334 N -0.57 0.69 -0.09 3.83 0.11 -1.26 -1.26 120.40 121.85 3kas s VAL 334 Ca 0.49 -0.47 -0.17 0.00 -2.93 0.00 0.00 61.98 58.91 3kas s VAL 334 Cb -0.33 -0.60 0.04 0.00 -1.53 0.00 0.00 36.38 33.96 3kas s VAL 334 CO 0.40 0.13 0.42 -1.58 -3.33 0.00 0.00 175.10 171.14 3kas s GLN 335 N -0.38 0.64 -0.12 1.54 2.00 -0.28 -4.34 119.66 118.71 3kas s GLN 335 Ca 0.02 0.26 -0.09 0.00 -2.00 0.00 0.00 55.36 53.56 3kas s GLN 335 Cb -0.04 0.30 -0.04 0.00 0.80 0.00 0.00 33.01 34.02 3kas s GLN 335 CO -0.00 -0.14 0.18 -0.08 -0.50 0.00 0.00 175.29 174.75 3kas s THR 336 N -0.53 5.43 0.13 -0.34 -1.32 -1.26 -1.04 115.64 116.72 3kas s THR 336 Ca -0.06 0.30 0.04 0.00 -1.21 0.00 0.00 61.69 60.76 3kas s THR 336 Cb -0.03 -3.46 -0.04 0.00 -1.51 0.00 0.00 72.50 67.45 3kas s THR 336 CO 0.03 0.58 -0.11 0.27 -2.21 0.00 0.00 174.62 173.18 3kas s ILE 337 N -0.75 1.14 0.68 5.08 -4.36 0.80 -4.77 121.20 119.02 3kas s ILE 337 Ca 0.15 -1.93 -0.13 0.00 -0.26 0.00 0.00 60.65 58.48 3kas s ILE 337 Cb -0.12 -1.70 0.01 0.00 1.25 0.00 0.00 42.46 41.89 3kas s ILE 337 CO 0.04 -0.67 1.08 -0.94 0.24 0.00 0.00 174.94 174.70 3kas s SER 338 N -2.92 5.13 0.39 4.36 1.04 -1.26 -4.31 113.70 116.13 3kas s SER 338 Ca 0.13 1.84 0.07 0.00 0.48 0.00 0.00 55.95 58.48 3kas s SER 338 Cb 0.00 -2.53 0.80 0.00 0.10 0.00 0.00 66.02 64.40 3kas s SER 338 CO 0.01 -1.61 2.00 -0.09 0.98 0.00 0.00 173.24 174.52 3kas h ARG 339 N -0.35 0.46 -0.16 4.02 2.43 -1.69 -1.35 114.38 117.75 3kas h ARG 339 Ca -0.45 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 58.66 3kas h ARG 339 Cb 1.23 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.68 3kas h ARG 339 CO 0.54 0.39 0.09 0.00 -1.51 0.00 0.00 179.97 179.49 3kas h ALA 340 N 1.68 0.20 -0.63 2.80 0.00 -1.49 -0.01 119.26 121.81 3kas h ALA 340 Ca 0.12 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3kas h ALA 340 Cb 0.11 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3kas h ALA 340 CO -0.01 -0.28 0.37 0.00 0.00 0.00 0.00 179.25 179.32 3kas h ALA 341 N 1.00 1.47 -0.54 0.00 0.00 -1.64 -0.30 119.26 119.25 3kas h ALA 341 Ca 0.06 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 3kas h ALA 341 Cb 0.04 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3kas h ALA 341 CO -0.01 0.46 0.01 0.00 0.00 0.00 0.00 179.25 179.71 3kas h ALA 342 N 1.54 0.73 0.00 0.00 0.00 -0.74 -0.97 119.26 119.82 3kas h ALA 342 Ca 0.23 -0.29 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 3kas h ALA 342 Cb -0.02 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3kas h ALA 342 CO -0.04 0.54 -0.46 0.93 0.00 0.00 0.00 179.25 180.22 3kas h GLU 343 N 0.83 0.00 -0.35 0.00 5.08 -0.27 0.22 114.58 120.10 3kas h GLU 343 Ca 0.16 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.36 3kas h GLU 343 Cb 0.52 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 3kas h GLU 343 CO 0.03 0.46 -0.41 0.87 -1.00 0.00 0.00 179.01 178.95 3kas h LYS 344 N 0.00 0.88 -0.80 2.33 1.57 -0.84 -0.15 116.57 119.56 3kas h LYS 344 Ca -0.00 -0.47 -0.01 0.00 -1.87 0.00 0.00 60.65 58.29 3kas h LYS 344 Cb 0.88 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 33.17 3kas h LYS 344 CO 0.06 1.12 0.45 -0.07 -0.57 0.00 0.00 179.45 180.44 3kas h LEU 345 N 0.71 0.98 -1.28 2.94 3.38 -0.40 -2.49 115.31 119.15 3kas h LEU 345 Ca 0.05 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 3kas h LEU 345 Cb 0.99 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 3kas h LEU 345 CO 0.10 0.79 0.21 -0.26 0.09 0.00 0.00 178.44 179.36 3kas h PHE 346 N 1.10 0.70 -0.31 1.13 0.05 -0.22 -0.46 116.94 118.93 3kas h PHE 346 Ca 0.28 -0.03 0.09 0.00 3.82 0.00 0.00 57.97 62.13 3kas h PHE 346 Cb 0.01 -0.22 -0.01 0.00 2.00 0.00 0.00 35.95 37.73 3kas h PHE 346 CO -0.00 0.54 0.55 0.78 -0.18 0.00 0.00 178.31 180.00 3kas h GLY 347 N 0.84 0.00 -1.32 -1.45 0.00 -0.55 -0.01 103.07 100.58 3kas h GLY 347 Ca 0.17 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.44 3kas h GLY 347 CO -0.02 0.00 -0.09 0.70 0.00 0.00 0.00 176.54 177.13 3kas n ASN 348 N -3.27 2.80 -4.40 0.19 3.02 -0.19 -5.01 115.26 108.40 3kas n ASN 348 Ca 0.05 -3.40 -0.21 0.00 -0.03 0.00 0.00 54.58 50.99 3kas n ASN 348 Cb 0.68 -0.55 -0.10 0.00 -0.61 0.00 0.00 39.78 39.20 3kas n ASN 348 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3kas s MET 349 N -3.04 1.66 0.13 3.52 -1.94 -0.02 -2.50 119.30 117.11 3kas s MET 349 Ca 0.40 -1.93 0.03 0.00 -1.71 0.00 0.00 55.69 52.48 3kas s MET 349 Cb 0.35 -0.78 -0.04 0.00 2.01 0.00 0.00 34.83 36.37 3kas s MET 349 CO 0.02 -0.23 -0.08 -1.21 -0.01 0.00 0.00 175.02 173.52 3kas s GLU 350 N -3.89 0.97 0.00 2.03 2.02 0.32 -4.80 118.70 115.35 3kas s GLU 350 Ca 0.35 -1.41 0.00 0.00 0.02 0.00 0.00 54.97 53.93 3kas s GLU 350 Cb 0.08 -0.41 0.00 0.00 0.10 0.00 0.00 34.13 33.90 3kas s GLU 350 CO 0.15 0.01 0.00 0.41 0.02 0.00 0.00 175.26 175.86 3kas n GLY 351 N -0.13 -0.62 3.81 -1.39 0.00 -1.26 -1.77 105.19 103.82 3kas n GLY 351 Ca -0.11 -1.08 -0.34 0.00 0.00 0.00 0.00 46.02 44.49 3kas n GLY 351 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kas s ASP 352 N -0.12 6.76 0.34 1.61 1.01 -1.26 -1.98 116.67 123.03 3kas s ASP 352 Ca 0.00 1.82 -0.25 0.00 0.71 0.00 0.00 52.55 54.82 3kas s ASP 352 Cb 0.00 -2.55 -0.10 0.00 1.01 0.00 0.00 42.92 41.28 3kas s ASP 352 CO 0.00 -0.49 0.95 0.00 0.21 0.00 0.00 175.17 175.84 3kas n PRO 354 N 0.38 2.05 0.32 0.00 -0.02 -1.26 -4.85 135.00 131.62 3kas n PRO 354 Ca 0.03 0.74 0.20 0.00 -2.02 0.00 0.00 63.50 62.45 3kas n PRO 354 Cb 0.50 -2.49 1.09 0.00 -0.02 0.00 0.00 33.50 32.59 3kas n PRO 354 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3kas h SER 355 N 5.69 0.00 -0.04 2.55 4.64 -1.98 -0.74 113.55 123.68 3kas h SER 355 Ca -0.45 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 60.88 3kas h SER 355 Cb 1.26 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3kas h SER 355 CO 0.87 0.00 0.04 0.44 -0.87 0.00 0.00 176.83 177.31 3kas h ASP 356 N 0.00 0.00 1.38 4.97 3.32 -2.01 -0.85 116.42 123.23 3kas h ASP 356 Ca 0.01 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 3kas h ASP 356 Cb 0.12 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.67 3kas h ASP 356 CO -0.00 0.00 -0.04 -0.50 -1.72 0.00 0.00 179.24 176.98 3kas h TRP 357 N 0.00 0.00 -6.03 4.55 4.06 -1.49 -3.47 115.95 113.56 3kas h TRP 357 Ca 0.02 0.00 -0.40 0.00 2.06 0.00 0.00 58.89 60.57 3kas h TRP 357 Cb 0.09 0.00 0.09 0.00 -1.00 0.00 0.00 29.16 28.34 3kas h TRP 357 CO 0.00 0.04 -0.88 1.63 -3.56 0.00 0.00 178.44 175.67 3kas n LYS 358 N -3.12 -3.04 -4.61 0.49 4.01 -0.33 -5.00 118.16 106.55 3kas n LYS 358 Ca 0.02 0.60 -0.28 0.00 -0.51 0.00 0.00 58.31 58.14 3kas n LYS 358 Cb 0.41 -4.90 -0.09 0.00 -0.51 0.00 0.00 35.03 29.94 3kas n LYS 358 CO 0.00 0.00 0.00 -0.08 -1.11 0.00 0.00 177.40 176.21 3kas s THR 359 N -3.56 1.29 0.61 -0.18 -1.32 -1.26 -4.89 115.64 106.33 3kas s THR 359 Ca 0.25 -2.00 -0.18 0.00 -1.21 0.00 0.00 61.69 58.56 3kas s THR 359 Cb -0.07 -2.55 -0.06 0.00 -1.51 0.00 0.00 72.50 68.31 3kas s THR 359 CO 0.82 0.00 0.76 0.47 -2.21 0.00 0.00 174.62 174.46 3kas n ASP 360 N -1.08 -0.13 0.25 8.08 8.00 -1.26 -4.86 116.55 125.55 3kas n ASP 360 Ca -0.09 0.74 0.16 0.00 0.71 0.00 0.00 54.79 56.31 3kas n ASP 360 Cb 0.67 -1.29 0.64 0.00 -0.02 0.00 0.00 41.12 41.12 3kas n ASP 360 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 3kas h SER 361 N 0.24 0.00 -0.89 -2.24 4.64 -2.00 -2.86 113.55 110.43 3kas h SER 361 Ca -0.47 0.00 0.09 0.00 -0.47 0.00 0.00 61.79 60.94 3kas h SER 361 Cb 1.38 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.39 3kas h SER 361 CO 0.48 0.00 0.54 0.74 -0.87 0.00 0.00 176.83 177.72 3kas h THR 362 N 0.00 0.97 -2.69 2.95 2.02 -2.01 -3.46 112.91 110.69 3kas h THR 362 Ca 0.00 -0.32 -0.60 0.00 0.77 0.00 0.00 66.41 66.27 3kas h THR 362 Cb 0.48 -0.04 0.12 0.00 -1.74 0.00 0.00 68.15 66.97 3kas h THR 362 CO 0.00 0.17 0.10 0.00 0.37 0.00 0.00 175.52 176.16 3kas s ARG 364 N -1.73 1.53 -0.13 0.00 1.81 -1.26 -4.13 118.95 115.04 3kas s ARG 364 Ca 0.60 -1.86 0.05 0.00 -1.72 0.00 0.00 55.73 52.81 3kas s ARG 364 Cb -0.64 0.02 -0.12 0.00 -0.45 0.00 0.00 34.95 33.76 3kas s ARG 364 CO 0.59 -0.45 -0.05 -1.33 -0.68 0.00 0.00 175.30 173.37 3kas n MET 365 N -0.52 1.18 -3.76 3.54 2.81 -0.78 -4.62 117.12 114.97 3kas n MET 365 Ca 0.02 0.04 -0.13 0.00 -1.81 0.00 0.00 57.70 55.82 3kas n MET 365 Cb 0.65 -1.30 -0.09 0.00 -0.71 0.00 0.00 33.22 31.77 3kas n MET 365 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3kas s VAL 366 N -2.29 0.04 0.58 2.03 1.01 -0.73 -1.10 120.40 119.95 3kas s VAL 366 Ca -0.13 -0.30 -0.20 0.00 0.00 0.00 0.00 61.98 61.35 3kas s VAL 366 Cb 0.04 -0.56 -0.03 0.00 0.00 0.00 0.00 36.38 35.83 3kas s VAL 366 CO 0.41 -0.17 1.29 0.42 0.00 0.00 0.00 175.10 177.05 3kas s THR 367 N -0.76 2.24 0.94 3.92 -4.23 -1.07 0.12 115.64 116.80 3kas s THR 367 Ca -0.08 0.16 -0.12 0.00 -1.18 0.00 0.00 61.69 60.47 3kas s THR 367 Cb -0.04 -3.07 0.07 0.00 1.34 0.00 0.00 72.50 70.80 3kas s THR 367 CO 0.03 -0.02 0.63 -1.20 -0.54 0.00 0.00 174.62 173.52 3kas n SER 368 N -1.41 -1.34 -0.25 3.99 7.64 -1.04 -4.67 113.62 116.53 3kas n SER 368 Ca 0.13 0.35 0.05 0.00 1.01 0.00 0.00 58.87 60.41 3kas n SER 368 Cb 0.47 -1.29 0.18 0.00 -1.01 0.00 0.00 64.21 62.57 3kas n SER 368 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 3kas h GLU 369 N -1.68 0.36 -0.00 1.43 4.57 -1.94 -2.54 114.58 114.78 3kas h GLU 369 Ca -0.44 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.72 3kas h GLU 369 Cb 1.28 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.79 3kas h GLU 369 CO 0.36 0.24 -0.06 -1.13 -1.18 0.00 0.00 179.01 177.24 3kas n SER 370 N -5.06 0.21 -4.22 1.04 3.41 -1.26 -4.84 113.62 102.89 3kas n SER 370 Ca 0.14 -0.33 -0.25 0.00 -0.26 0.00 0.00 58.87 58.17 3kas n SER 370 Cb 0.43 -0.18 -0.14 0.00 -0.26 0.00 0.00 64.21 64.06 3kas n SER 370 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3kas s LYS 371 N -2.54 1.35 0.20 4.33 1.02 -0.96 -0.53 119.74 122.62 3kas s LYS 371 Ca 0.28 -0.87 -0.06 0.00 0.02 0.00 0.00 55.97 55.35 3kas s LYS 371 Cb 0.20 -1.42 -0.02 0.00 -0.52 0.00 0.00 37.83 36.07 3kas s LYS 371 CO 0.47 0.37 0.26 0.54 -0.92 0.00 0.00 175.35 176.07 3kas s ASN 372 N -1.04 0.07 0.07 2.83 2.20 -0.93 -4.41 114.94 113.74 3kas s ASN 372 Ca 0.07 -1.13 0.01 0.00 -0.94 0.00 0.00 52.86 50.86 3kas s ASN 372 Cb -0.08 0.44 -0.04 0.00 -2.00 0.00 0.00 41.25 39.57 3kas s ASN 372 CO 0.01 -0.93 0.21 -0.69 -2.94 0.00 0.00 177.10 172.76 3kas s VAL 373 N -4.07 5.31 -0.09 3.54 1.01 0.15 -0.55 120.40 125.70 3kas s VAL 373 Ca 0.28 -0.46 0.04 0.00 0.00 0.00 0.00 61.98 61.84 3kas s VAL 373 Cb 0.04 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.82 3kas s VAL 373 CO 0.08 0.11 -0.21 -0.75 0.00 0.00 0.00 175.10 174.32 3kas s LYS 374 N -2.59 2.73 -0.11 2.72 2.20 0.56 -1.08 119.74 124.17 3kas s LYS 374 Ca 0.34 -0.78 0.03 0.00 -0.36 0.00 0.00 55.97 55.20 3kas s LYS 374 Cb -0.13 -2.10 -0.01 0.00 -1.51 0.00 0.00 37.83 34.09 3kas s LYS 374 CO 0.28 0.16 -0.20 -1.17 -0.36 0.00 0.00 175.35 174.05 3kas s LEU 375 N 0.38 2.32 -0.23 5.43 2.96 0.38 -1.35 118.68 128.57 3kas s LEU 375 Ca -0.17 -0.47 0.02 0.00 -0.22 0.00 0.00 54.13 53.29 3kas s LEU 375 Cb -0.17 -1.48 0.05 0.00 0.50 0.00 0.00 46.19 45.09 3kas s LEU 375 CO 0.08 0.17 -0.11 -0.89 -1.32 0.00 0.00 176.35 174.28 3kas s THR 376 N 0.30 1.89 -0.15 3.68 2.01 -0.75 -0.98 115.64 121.64 3kas s THR 376 Ca -0.15 -1.30 -0.01 0.00 0.31 0.00 0.00 61.69 60.54 3kas s THR 376 Cb -0.17 -1.98 -0.02 0.00 0.01 0.00 0.00 72.50 70.34 3kas s THR 376 CO 0.07 0.09 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.31 3kas s VAL 377 N 1.26 3.26 -0.15 3.82 1.01 -0.36 -1.47 120.40 127.76 3kas s VAL 377 Ca -0.04 -0.58 0.17 0.00 0.00 0.00 0.00 61.98 61.53 3kas s VAL 377 Cb -0.18 -2.40 0.44 0.00 0.00 0.00 0.00 36.38 34.24 3kas s VAL 377 CO -0.07 0.50 1.19 -1.54 0.00 0.00 0.00 175.10 175.18 3kas n SER 378 N 3.76 1.85 -4.60 3.32 3.41 -1.26 -1.02 113.62 119.08 3kas n SER 378 Ca -0.18 -3.04 -0.38 0.00 -0.26 0.00 0.00 58.87 55.01 3kas n SER 378 Cb 0.52 -0.42 0.05 0.00 -0.26 0.00 0.00 64.21 64.10 3kas n SER 378 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3kas n ASN 379 N -0.45 0.59 -4.32 4.04 3.02 -1.26 -3.97 115.26 112.90 3kas n ASN 379 Ca 0.16 0.82 -0.24 0.00 -0.03 0.00 0.00 54.58 55.30 3kas n ASN 379 Cb 0.90 -1.36 -0.12 0.00 -0.61 0.00 0.00 39.78 38.59 3kas n ASN 379 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3kas s VAL 380 N -1.52 1.82 0.04 2.41 -7.23 0.44 -4.74 120.40 111.62 3kas s VAL 380 Ca 0.74 -1.73 -0.30 0.00 -1.81 0.00 0.00 61.98 58.88 3kas s VAL 380 Cb -0.43 -1.72 -0.04 0.00 0.56 0.00 0.00 36.38 34.74 3kas s VAL 380 CO 0.49 -0.15 1.07 -0.76 -0.31 0.00 0.00 175.10 175.44 3kas s LEU 381 N -2.25 4.38 -0.03 1.32 1.43 -1.26 -1.21 118.68 121.06 3kas s LEU 381 Ca 0.11 1.82 0.03 0.00 -1.03 0.00 0.00 54.13 55.07 3kas s LEU 381 Cb -0.08 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.56 3kas s LEU 381 CO 0.06 -0.34 -0.12 -0.75 0.23 0.00 0.00 176.35 175.43 3kas s LYS 382 N 0.95 1.29 -0.04 1.70 2.20 0.26 -4.96 119.74 121.13 3kas s LYS 382 Ca 0.54 -0.43 -0.22 0.00 -0.36 0.00 0.00 55.97 55.51 3kas s LYS 382 Cb -0.25 -1.16 -0.05 0.00 -1.51 0.00 0.00 37.83 34.87 3kas s LYS 382 CO 0.29 0.17 0.64 -2.00 -0.36 0.00 0.00 175.35 174.08 3kas s GLU 383 N 0.13 4.39 0.16 4.03 2.56 -1.26 -1.11 118.70 127.60 3kas s GLU 383 Ca -0.03 0.79 0.06 0.00 0.00 0.00 0.00 54.97 55.79 3kas s GLU 383 Cb -0.10 -3.40 -0.04 0.00 2.00 0.00 0.00 34.13 32.59 3kas s GLU 383 CO 0.01 0.21 -0.13 0.96 -0.56 0.00 0.00 175.26 175.75 3kas s ILE 384 N 0.32 1.46 -0.43 -3.70 -4.36 0.29 -4.95 121.20 109.82 3kas s ILE 384 Ca 0.34 -1.98 -0.15 0.00 -0.26 0.00 0.00 60.65 58.60 3kas s ILE 384 Cb -0.18 -1.80 0.04 0.00 1.25 0.00 0.00 42.46 41.77 3kas s ILE 384 CO 0.17 -0.55 0.33 -0.75 0.24 0.00 0.00 174.94 174.38 3kas s LYS 385 N -3.27 2.94 0.13 0.37 2.20 -1.26 -1.81 119.74 119.03 3kas s LYS 385 Ca 0.16 -1.18 -0.01 0.00 -0.36 0.00 0.00 55.97 54.58 3kas s LYS 385 Cb -0.02 -4.01 -0.04 0.00 -1.51 0.00 0.00 37.83 32.25 3kas s LYS 385 CO 0.04 -0.86 0.31 0.96 -0.36 0.00 0.00 175.35 175.43 3kas s ILE 386 N 1.64 5.27 -0.15 5.43 -4.36 -0.53 -4.50 121.20 124.00 3kas s ILE 386 Ca 0.04 -0.30 0.01 0.00 -0.26 0.00 0.00 60.65 60.15 3kas s ILE 386 Cb -0.21 -3.67 0.02 0.00 1.25 0.00 0.00 42.46 39.85 3kas s ILE 386 CO 0.08 0.01 -0.18 -0.76 0.24 0.00 0.00 174.94 174.32 3kas s LEU 387 N -2.84 1.96 -0.23 0.37 1.43 -1.26 -2.21 118.68 115.90 3kas s LEU 387 Ca 0.38 -0.57 -0.19 0.00 -1.03 0.00 0.00 54.13 52.72 3kas s LEU 387 Cb -0.12 -1.35 -0.03 0.00 0.03 0.00 0.00 46.19 44.72 3kas s LEU 387 CO 0.27 0.00 0.54 0.20 0.23 0.00 0.00 176.35 177.60 3kas s ASN 388 N 1.20 6.53 -0.22 2.29 0.01 -0.23 -4.04 114.94 120.48 3kas s ASN 388 Ca 0.01 0.64 -0.11 0.00 -0.71 0.00 0.00 52.86 52.69 3kas s ASN 388 Cb -0.14 -2.30 -0.05 0.00 0.41 0.00 0.00 41.25 39.17 3kas s ASN 388 CO -0.09 -0.25 0.18 -0.63 -1.51 0.00 0.00 177.10 174.80 3kas s ILE 389 N 2.01 5.36 -0.02 0.60 -1.09 -0.54 -0.75 121.20 126.77 3kas s ILE 389 Ca 0.24 0.24 0.07 0.00 -2.23 0.00 0.00 60.65 58.97 3kas s ILE 389 Cb -0.16 -3.52 -0.02 0.00 -1.58 0.00 0.00 42.46 37.19 3kas s ILE 389 CO 0.09 0.36 -0.24 -0.36 -1.23 0.00 0.00 174.94 173.57 3kas s PHE 390 N 0.87 2.19 0.12 3.97 0.40 -0.71 -0.31 117.98 124.51 3kas s PHE 390 Ca 0.09 -0.45 0.08 0.00 -0.60 0.00 0.00 56.93 56.05 3kas s PHE 390 Cb -0.13 -1.41 -0.04 0.00 0.51 0.00 0.00 43.02 41.95 3kas s PHE 390 CO 0.03 -0.06 -0.19 0.20 0.70 0.00 0.00 175.22 175.90 3kas s GLY 391 N -0.50 1.23 -0.03 4.36 0.00 0.09 -1.41 107.32 111.06 3kas s GLY 391 Ca 0.07 -1.30 -0.01 0.00 0.00 0.00 0.00 44.72 43.48 3kas s GLY 391 CO -0.00 -1.33 0.06 0.54 0.00 0.00 0.00 173.10 172.37 3kas s VAL 392 N -1.55 -0.05 -0.43 1.40 0.11 -0.45 -0.23 120.40 119.21 3kas s VAL 392 Ca 0.09 0.17 -0.15 0.00 -2.93 0.00 0.00 61.98 59.16 3kas s VAL 392 Cb -0.08 -0.11 0.04 0.00 -1.53 0.00 0.00 36.38 34.69 3kas s VAL 392 CO 0.05 0.07 0.32 -0.63 -3.33 0.00 0.00 175.10 171.58 3kas s ILE 393 N 0.88 5.19 0.34 7.04 1.01 0.18 -0.63 121.20 135.21 3kas s ILE 393 Ca -0.07 -0.81 -0.29 0.00 0.00 0.00 0.00 60.65 59.48 3kas s ILE 393 Cb -0.10 -3.96 -0.10 0.00 0.01 0.00 0.00 42.46 38.31 3kas s ILE 393 CO -0.03 -0.39 1.35 -0.54 0.00 0.00 0.00 174.94 175.33 3kas s LYS 394 N 1.65 4.30 0.60 2.79 1.02 -1.26 -1.50 119.74 127.34 3kas s LYS 394 Ca 0.04 2.30 -0.16 0.00 0.02 0.00 0.00 55.97 58.17 3kas s LYS 394 Cb -0.21 -3.04 -0.03 0.00 -0.52 0.00 0.00 37.83 34.03 3kas s LYS 394 CO 0.09 -0.27 1.08 0.20 -0.92 0.00 0.00 175.35 175.53 3kas s GLY 395 N -0.41 2.24 0.14 -3.33 0.00 -1.26 -4.77 107.32 99.93 3kas s GLY 395 Ca 0.50 0.52 0.22 0.00 0.00 0.00 0.00 44.72 45.96 3kas s GLY 395 CO 0.55 0.86 0.91 0.69 0.00 0.00 0.00 173.10 176.11 3kas n PHE 396 N -1.94 0.70 0.00 1.90 3.01 0.81 -4.06 117.46 117.88 3kas n PHE 396 Ca 0.10 0.20 -0.03 0.00 1.01 0.00 0.00 57.45 58.73 3kas n PHE 396 Cb 0.52 -0.82 -0.01 0.00 -0.01 0.00 0.00 39.48 39.16 3kas n PHE 396 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 3kas n VAL 397 N -2.53 0.88 -3.87 -4.37 0.31 -0.28 -4.90 118.33 103.57 3kas n VAL 397 Ca -0.01 0.18 -0.29 0.00 -0.01 0.00 0.00 64.34 64.21 3kas n VAL 397 Cb 0.55 -1.67 -0.13 0.00 -0.91 0.00 0.00 33.84 31.68 3kas n VAL 397 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3kas s GLU 398 N -2.14 2.09 0.40 5.55 2.02 -0.16 -4.93 118.70 121.53 3kas s GLU 398 Ca -0.06 -2.89 0.21 0.00 0.02 0.00 0.00 54.97 52.24 3kas s GLU 398 Cb 0.02 -3.17 0.76 0.00 0.10 0.00 0.00 34.13 31.84 3kas s GLU 398 CO 0.09 -1.22 1.76 -1.35 0.02 0.00 0.00 175.26 174.56 3kas h PRO 399 N 5.93 0.00 0.00 0.39 0.11 -1.72 -2.79 132.00 133.93 3kas h PRO 399 Ca 0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.17 3kas h PRO 399 Cb 0.83 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.94 3kas h PRO 399 CO 0.67 0.32 0.00 -0.40 -0.21 0.00 0.00 178.00 178.37 3kas n ASP 400 N -3.47 0.00 -4.44 -2.05 5.75 -1.26 -4.17 116.55 106.90 3kas n ASP 400 Ca -0.00 -0.64 -0.33 0.00 -0.01 0.00 0.00 54.79 53.81 3kas n ASP 400 Cb 0.48 0.00 -0.14 0.00 -1.03 0.00 0.00 41.12 40.44 3kas n ASP 400 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 3kas s HIS 401 N -2.00 2.70 0.05 2.11 3.76 -1.05 -4.59 115.29 116.27 3kas s HIS 401 Ca 0.29 -0.28 0.03 0.00 -0.15 0.00 0.00 55.06 54.95 3kas s HIS 401 Cb 0.13 -1.67 -0.03 0.00 1.11 0.00 0.00 32.58 32.13 3kas s HIS 401 CO 0.23 0.09 -0.09 1.52 -0.85 0.00 0.00 174.74 175.64 3kas s TYR 402 N -0.50 0.78 -0.10 1.40 -0.85 0.83 -0.43 117.35 118.49 3kas s TYR 402 Ca 0.06 -0.50 -0.17 0.00 -0.52 0.00 0.00 57.07 55.95 3kas s TYR 402 Cb -0.12 -0.46 -0.05 0.00 0.38 0.00 0.00 41.96 41.72 3kas s TYR 402 CO 0.02 -0.06 0.43 0.08 -1.52 0.00 0.00 175.55 174.50 3kas s VAL 403 N -1.40 5.17 -0.17 -3.49 1.01 -0.38 -1.46 120.40 119.68 3kas s VAL 403 Ca -0.08 0.86 -0.04 0.00 0.00 0.00 0.00 61.98 62.72 3kas s VAL 403 Cb -0.10 -3.76 -0.02 0.00 0.00 0.00 0.00 36.38 32.50 3kas s VAL 403 CO 0.01 0.40 -0.04 -0.69 0.00 0.00 0.00 175.10 174.78 3kas s VAL 404 N 0.20 3.77 -0.19 2.92 1.01 0.50 -1.22 120.40 127.40 3kas s VAL 404 Ca 0.24 -0.39 -0.01 0.00 0.00 0.00 0.00 61.98 61.82 3kas s VAL 404 Cb -0.15 -2.67 0.01 0.00 0.00 0.00 0.00 36.38 33.57 3kas s VAL 404 CO 0.10 0.47 -0.15 -0.69 0.00 0.00 0.00 175.10 174.83 3kas s VAL 405 N 0.67 2.49 0.15 2.92 1.01 0.13 0.20 120.40 127.97 3kas s VAL 405 Ca -0.02 -0.79 0.05 0.00 0.00 0.00 0.00 61.98 61.21 3kas s VAL 405 Cb -0.14 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 3kas s VAL 405 CO 0.02 0.50 -0.11 -0.83 0.00 0.00 0.00 175.10 174.68 3kas s GLY 406 N 1.35 1.10 -0.02 4.51 0.00 -0.58 -0.36 107.32 113.32 3kas s GLY 406 Ca 0.05 -1.48 -0.11 0.00 0.00 0.00 0.00 44.72 43.18 3kas s GLY 406 CO -0.10 -1.58 0.24 0.00 0.00 0.00 0.00 173.10 171.67 3kas s ALA 407 N -3.14 -0.61 -0.02 3.20 0.00 -0.29 -0.98 121.76 119.92 3kas s ALA 407 Ca 0.16 0.23 -0.30 0.00 0.00 0.00 0.00 51.96 52.05 3kas s ALA 407 Cb 0.01 0.01 -0.03 0.00 0.00 0.00 0.00 23.12 23.11 3kas s ALA 407 CO 0.01 -0.22 1.11 -1.14 0.00 0.00 0.00 175.76 175.52 3kas s GLN 408 N -1.13 4.44 -0.05 0.00 0.74 -1.26 -0.67 119.66 121.72 3kas s GLN 408 Ca -0.12 1.58 0.21 0.00 0.05 0.00 0.00 55.36 57.07 3kas s GLN 408 Cb -0.06 -3.48 -0.29 0.00 1.10 0.00 0.00 33.01 30.28 3kas s GLN 408 CO 0.03 -0.28 0.43 -2.13 -0.55 0.00 0.00 175.29 172.79 3kas n ARG 409 N 4.54 0.66 -3.39 1.67 0.63 0.27 -4.44 116.66 116.61 3kas n ARG 409 Ca 0.09 -0.11 -0.31 0.00 -0.92 0.00 0.00 57.85 56.60 3kas n ARG 409 Cb 0.48 -1.55 -0.04 0.00 0.45 0.00 0.00 32.46 31.79 3kas n ARG 409 CO 0.00 0.00 0.00 0.16 -2.51 0.00 0.00 177.63 175.28 3kas s ASP 410 N -4.87 6.54 -0.02 6.15 -4.77 -1.25 -4.90 116.67 113.55 3kas s ASP 410 Ca -0.08 0.82 -0.22 0.00 -3.30 0.00 0.00 52.55 49.77 3kas s ASP 410 Cb 0.11 -2.19 0.05 0.00 -1.09 0.00 0.00 42.92 39.80 3kas s ASP 410 CO 0.88 -0.12 0.49 0.00 0.70 0.00 0.00 175.17 177.12 3kas s ALA 411 N -1.92 -1.25 0.05 2.11 0.00 -0.74 -4.62 121.76 115.38 3kas s ALA 411 Ca 0.46 0.75 -0.26 0.00 0.00 0.00 0.00 51.96 52.90 3kas s ALA 411 Cb -0.11 0.11 -0.17 0.00 0.00 0.00 0.00 23.12 22.94 3kas s ALA 411 CO 0.25 -0.35 1.51 2.35 0.00 0.00 0.00 175.76 179.53 3kas h TRP 412 N 3.32 -0.32 0.00 0.00 7.01 -1.95 -1.72 115.95 122.29 3kas h TRP 412 Ca -0.29 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 60.70 3kas h TRP 412 Cb 1.17 0.11 0.00 0.00 -2.10 0.00 0.00 29.16 28.33 3kas h TRP 412 CO 0.44 -0.09 0.00 0.41 -2.79 0.00 0.00 178.44 176.41 3kas n GLY 413 N -0.82 1.17 0.22 2.65 0.00 -1.26 -4.40 105.19 102.74 3kas n GLY 413 Ca -0.10 -0.83 -0.12 0.00 0.00 0.00 0.00 46.02 44.97 3kas n GLY 413 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3kas h PRO 414 N 0.00 0.64 -6.28 1.61 0.11 -1.75 -3.20 132.00 123.14 3kas h PRO 414 Ca 0.00 -0.45 -0.46 0.00 0.11 0.00 0.00 66.00 65.21 3kas h PRO 414 Cb 0.00 0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.17 3kas h PRO 414 CO 0.00 1.07 -0.83 0.41 -0.21 0.00 0.00 178.00 178.43 3kas n GLY 415 N 0.41 -0.31 0.26 -0.55 0.00 -0.75 -4.77 105.19 99.49 3kas n GLY 415 Ca -0.04 0.14 -0.15 0.00 0.00 0.00 0.00 46.02 45.97 3kas n GLY 415 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kas h ALA 416 N 0.88 -0.56 0.01 4.61 0.00 -1.25 0.25 119.26 123.20 3kas h ALA 416 Ca -0.61 -0.11 -0.26 0.00 0.00 0.00 0.00 54.91 53.93 3kas h ALA 416 Cb 1.37 0.27 0.02 0.00 0.00 0.00 0.00 17.79 19.45 3kas h ALA 416 CO 0.61 -0.82 -1.05 0.00 0.00 0.00 0.00 179.25 177.99 3kas h ALA 417 N 0.04 0.15 -0.36 0.00 0.00 -1.87 0.19 119.26 117.41 3kas h ALA 417 Ca -0.04 -0.71 -0.03 0.00 0.00 0.00 0.00 54.91 54.13 3kas h ALA 417 Cb 0.46 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3kas h ALA 417 CO 0.04 0.71 0.09 -0.22 0.00 0.00 0.00 179.25 179.87 3kas h LYS 418 N 0.36 0.53 0.00 0.00 3.64 -1.90 -3.35 116.57 115.85 3kas h LYS 418 Ca -0.13 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 3kas h LYS 418 Cb 1.70 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.43 3kas h LYS 418 CO 0.20 0.49 -0.13 0.45 -2.27 0.00 0.00 179.45 178.19 3kas n SER 419 N -4.34 0.37 0.26 4.20 2.88 0.72 -4.43 113.62 113.28 3kas n SER 419 Ca 0.02 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.40 3kas n SER 419 Cb 0.18 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.56 3kas n SER 419 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 3kas h GLY 420 N 0.00 -0.64 0.03 0.46 0.00 0.74 -0.71 103.07 102.95 3kas h GLY 420 Ca 0.00 0.24 0.02 0.00 0.00 0.00 0.00 47.33 47.59 3kas h GLY 420 CO 0.00 -0.23 -0.53 -2.08 0.00 0.00 0.00 176.54 173.69 3kas h VAL 421 N -0.64 0.01 -0.52 4.60 2.07 -0.92 0.26 116.25 121.12 3kas h VAL 421 Ca -0.06 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.56 3kas h VAL 421 Cb 0.48 0.01 -0.09 0.00 -1.52 0.00 0.00 31.29 30.17 3kas h VAL 421 CO 0.10 0.00 -0.07 1.23 0.02 0.00 0.00 177.57 178.85 3kas h GLY 422 N -0.69 0.45 1.35 2.17 0.00 -1.67 0.04 103.07 104.72 3kas h GLY 422 Ca 0.01 0.12 -0.07 0.00 0.00 0.00 0.00 47.33 47.39 3kas h GLY 422 CO -0.35 -0.18 0.01 -0.84 0.00 0.00 0.00 176.54 175.18 3kas h THR 423 N 0.05 1.24 0.09 4.70 2.02 -0.57 0.43 112.91 120.88 3kas h THR 423 Ca 0.26 -0.99 -0.00 0.00 0.77 0.00 0.00 66.41 66.44 3kas h THR 423 Cb 0.40 0.87 0.00 0.00 -1.74 0.00 0.00 68.15 67.67 3kas h THR 423 CO -0.49 0.35 -0.04 0.00 0.37 0.00 0.00 175.52 175.71 3kas h ALA 424 N 1.26 -0.12 -0.91 6.16 0.00 0.51 -0.32 119.26 125.84 3kas h ALA 424 Ca 0.15 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.05 3kas h ALA 424 Cb 0.44 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.23 3kas h ALA 424 CO 0.02 -0.55 0.59 -0.07 0.00 0.00 0.00 179.25 179.24 3kas h LEU 425 N -0.16 0.97 -0.32 0.00 3.38 -0.76 -0.09 115.31 118.33 3kas h LEU 425 Ca -0.01 -0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.98 3kas h LEU 425 Cb 0.13 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 3kas h LEU 425 CO 0.02 0.66 0.13 0.25 0.09 0.00 0.00 178.44 179.59 3kas h LEU 426 N 1.13 0.16 -0.38 1.67 5.85 -0.51 0.15 115.31 123.38 3kas h LEU 426 Ca 0.37 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 59.08 3kas h LEU 426 Cb 0.03 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 3kas h LEU 426 CO -0.13 0.13 0.09 -0.07 -0.34 0.00 0.00 178.44 178.12 3kas h LEU 427 N 0.28 0.57 -0.38 2.25 3.38 -0.35 -1.60 115.31 119.47 3kas h LEU 427 Ca 0.14 -0.23 -0.17 0.00 0.09 0.00 0.00 57.88 57.71 3kas h LEU 427 Cb 0.09 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 3kas h LEU 427 CO -0.13 0.65 -0.51 0.11 0.09 0.00 0.00 178.44 178.65 3kas h LYS 428 N 0.46 0.81 -0.28 1.13 1.79 -0.86 -1.55 116.57 118.07 3kas h LYS 428 Ca 0.12 -0.49 -0.01 0.00 -2.18 0.00 0.00 60.65 58.09 3kas h LYS 428 Cb 0.31 0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.99 3kas h LYS 428 CO 0.00 1.12 0.14 -0.07 -1.08 0.00 0.00 179.45 179.56 3kas h LEU 429 N 0.63 0.37 -0.32 2.94 3.38 -0.67 0.48 115.31 122.12 3kas h LEU 429 Ca 0.02 -0.12 0.05 0.00 0.09 0.00 0.00 57.88 57.92 3kas h LEU 429 Cb 1.10 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.72 3kas h LEU 429 CO 0.11 0.38 0.06 0.00 0.09 0.00 0.00 178.44 179.08 3kas h ALA 430 N 1.00 0.33 0.42 1.53 0.00 -1.18 -0.53 119.26 120.83 3kas h ALA 430 Ca 0.10 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3kas h ALA 430 Cb 0.11 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 3kas h ALA 430 CO -0.01 -0.35 -0.25 0.37 0.00 0.00 0.00 179.25 179.01 3kas h GLN 431 N 0.17 -0.61 -0.02 0.00 4.15 -1.15 -1.66 115.11 116.00 3kas h GLN 431 Ca 0.15 0.04 0.03 0.00 0.77 0.00 0.00 58.65 59.65 3kas h GLN 431 Cb 0.17 0.14 -0.05 0.00 0.21 0.00 0.00 27.48 27.94 3kas h GLN 431 CO -0.20 -0.41 -0.34 0.52 -1.93 0.00 0.00 178.83 176.48 3kas h MET 432 N -0.63 -0.46 -0.53 1.69 2.86 -0.53 -1.12 114.93 116.21 3kas h MET 432 Ca -0.05 0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 3kas h MET 432 Cb 0.52 0.10 -0.03 0.00 0.06 0.00 0.00 31.60 32.26 3kas h MET 432 CO 0.05 -0.31 0.31 0.74 1.06 0.00 0.00 176.91 178.76 3kas h PHE 433 N -0.48 0.70 -0.74 -0.22 -1.00 -1.11 0.11 116.94 114.20 3kas h PHE 433 Ca 0.06 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.83 3kas h PHE 433 Cb 0.57 -0.23 -0.03 0.00 3.61 0.00 0.00 35.95 39.87 3kas h PHE 433 CO -0.37 0.47 0.40 1.03 -1.61 0.00 0.00 178.31 178.24 3kas h SER 434 N 0.73 0.92 -0.41 2.17 0.87 -0.76 -1.55 113.55 115.51 3kas h SER 434 Ca 0.19 -0.10 -0.09 0.00 -1.23 0.00 0.00 61.79 60.57 3kas h SER 434 Cb -0.01 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.70 3kas h SER 434 CO -0.03 0.75 -0.04 0.44 -0.53 0.00 0.00 176.83 177.42 3kas h ASP 435 N 1.02 0.81 0.12 6.23 3.32 0.07 -1.85 116.42 126.15 3kas h ASP 435 Ca 0.26 -0.22 -0.11 0.00 0.02 0.00 0.00 57.03 56.98 3kas h ASP 435 Cb 0.04 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 3kas h ASP 435 CO -0.04 0.91 -0.38 0.24 -1.72 0.00 0.00 179.24 178.25 3kas h MET 436 N 0.77 0.35 -0.07 3.56 2.86 -0.69 0.13 114.93 121.84 3kas h MET 436 Ca 0.14 -0.16 -0.05 0.00 -2.06 0.00 0.00 59.70 57.57 3kas h MET 436 Cb 0.52 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.18 3kas h MET 436 CO 0.03 0.68 -0.14 0.28 1.06 0.00 0.00 176.91 178.82 3kas h VAL 437 N 0.30 1.41 0.24 -2.22 2.07 -1.14 -0.68 116.25 116.22 3kas h VAL 437 Ca 0.03 -1.44 -0.33 0.00 0.82 0.00 0.00 66.70 65.78 3kas h VAL 437 Cb 0.80 2.19 0.03 0.00 -1.52 0.00 0.00 31.29 32.80 3kas h VAL 437 CO 0.06 0.40 -1.47 -0.07 0.02 0.00 0.00 177.57 176.52 3kas h LEU 438 N -0.26 0.78 0.00 2.57 3.38 -1.24 -3.30 115.31 117.25 3kas h LEU 438 Ca 0.00 -0.85 -0.35 0.00 0.09 0.00 0.00 57.88 56.77 3kas h LEU 438 Cb 0.72 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.17 3kas h LEU 438 CO 0.03 1.67 -1.94 0.29 0.09 0.00 0.00 178.44 178.57 3kas n LYS 439 N -3.68 0.59 0.00 1.13 5.02 0.45 -4.70 118.16 116.96 3kas n LYS 439 Ca -0.16 0.40 0.13 0.00 -2.02 0.00 0.00 58.31 56.66 3kas n LYS 439 Cb 1.10 -1.62 0.33 0.00 -0.02 0.00 0.00 35.03 34.82 3kas n LYS 439 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3kas n ASP 440 N -4.27 2.09 0.00 4.39 8.00 -0.95 -4.93 116.55 120.88 3kas n ASP 440 Ca -0.43 -1.67 0.00 0.00 0.71 0.00 0.00 54.79 53.40 3kas n ASP 440 Cb 0.80 0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.93 3kas n ASP 440 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kas n GLY 441 N 1.26 0.76 3.66 0.44 0.00 -0.48 -4.97 105.19 105.87 3kas n GLY 441 Ca 0.16 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.72 3kas n GLY 441 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3kas n PHE 442 N -2.25 2.13 -3.56 1.61 7.35 -0.39 -4.62 117.46 117.73 3kas n PHE 442 Ca 0.00 0.39 -0.27 0.00 -0.76 0.00 0.00 57.45 56.80 3kas n PHE 442 Cb 0.00 -2.48 -0.11 0.00 0.35 0.00 0.00 39.48 37.24 3kas n PHE 442 CO 0.00 0.00 0.00 -0.65 -0.76 0.00 0.00 176.76 175.35 3kas s GLN 443 N 0.26 1.41 0.19 -4.13 -0.21 -1.26 -4.26 119.66 111.66 3kas s GLN 443 Ca 0.74 -2.50 -0.33 0.00 0.02 0.00 0.00 55.36 53.29 3kas s GLN 443 Cb -0.70 -2.08 -0.14 0.00 1.00 0.00 0.00 33.01 31.10 3kas s GLN 443 CO 0.44 -1.35 1.47 -2.30 -2.12 0.00 0.00 175.29 171.43 3kas n PRO 444 N 2.58 2.01 -0.02 2.91 -0.02 -1.26 -4.78 135.00 136.42 3kas n PRO 444 Ca 0.26 0.72 -0.12 0.00 -2.02 0.00 0.00 63.50 62.34 3kas n PRO 444 Cb 0.43 -2.42 -0.07 0.00 -0.02 0.00 0.00 33.50 31.42 3kas n PRO 444 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 3kas h SER 445 N 4.98 0.13 -1.85 2.55 0.02 -0.43 0.23 113.55 119.18 3kas h SER 445 Ca -0.45 -0.30 -0.51 0.00 -0.84 0.00 0.00 61.79 59.69 3kas h SER 445 Cb 1.27 -0.03 -0.05 0.00 0.14 0.00 0.00 62.40 63.73 3kas h SER 445 CO 0.82 0.40 -0.47 -0.13 -1.14 0.00 0.00 176.83 176.30 3kas s ARG 446 N -5.01 2.60 0.58 3.45 3.00 -1.26 -0.99 118.95 121.32 3kas s ARG 446 Ca -0.14 -1.39 -0.16 0.00 0.00 0.00 0.00 55.73 54.04 3kas s ARG 446 Cb 0.05 -2.38 -0.05 0.00 0.00 0.00 0.00 34.95 32.58 3kas s ARG 446 CO 0.69 0.09 1.04 -1.12 0.00 0.00 0.00 175.30 176.00 3kas s SER 447 N -3.95 5.99 -0.16 0.23 0.01 0.43 -4.00 113.70 112.26 3kas s SER 447 Ca 0.40 1.74 0.02 0.00 1.31 0.00 0.00 55.95 59.41 3kas s SER 447 Cb -0.05 -2.52 0.01 0.00 0.21 0.00 0.00 66.02 63.67 3kas s SER 447 CO 0.25 -1.02 -0.20 -0.63 0.41 0.00 0.00 173.24 172.05 3kas s ILE 448 N -2.54 2.13 -0.14 1.44 1.01 -0.56 -1.24 121.20 121.29 3kas s ILE 448 Ca 0.62 -0.94 -0.02 0.00 0.00 0.00 0.00 60.65 60.31 3kas s ILE 448 Cb -0.14 -1.87 -0.02 0.00 0.01 0.00 0.00 42.46 40.43 3kas s ILE 448 CO 0.37 0.54 -0.07 -0.63 0.00 0.00 0.00 174.94 175.15 3kas s ILE 449 N 1.02 3.60 -0.19 2.92 1.01 -0.36 -0.64 121.20 128.56 3kas s ILE 449 Ca -0.02 -0.47 -0.07 0.00 0.00 0.00 0.00 60.65 60.10 3kas s ILE 449 Cb -0.14 -2.55 -0.04 0.00 0.01 0.00 0.00 42.46 39.74 3kas s ILE 449 CO -0.06 0.51 0.05 -0.36 0.00 0.00 0.00 174.94 175.07 3kas s PHE 450 N 0.29 3.19 -0.17 3.97 0.40 0.68 -0.69 117.98 125.66 3kas s PHE 450 Ca -0.06 -0.04 0.01 0.00 -0.60 0.00 0.00 56.93 56.23 3kas s PHE 450 Cb -0.15 -2.08 0.03 0.00 0.51 0.00 0.00 43.02 41.33 3kas s PHE 450 CO 0.04 0.06 -0.14 0.00 0.70 0.00 0.00 175.22 175.88 3kas s ALA 451 N 0.51 1.98 -0.43 5.36 0.00 0.51 -0.74 121.76 128.96 3kas s ALA 451 Ca 0.02 -1.04 -0.16 0.00 0.00 0.00 0.00 51.96 50.78 3kas s ALA 451 Cb -0.13 -1.14 0.03 0.00 0.00 0.00 0.00 23.12 21.88 3kas s ALA 451 CO 0.01 -0.50 0.37 0.45 0.00 0.00 0.00 175.76 176.10 3kas s SER 452 N 1.43 6.15 0.28 0.00 0.15 0.58 -1.13 113.70 121.15 3kas s SER 452 Ca 0.03 -0.90 -0.08 0.00 0.70 0.00 0.00 55.95 55.69 3kas s SER 452 Cb -0.14 -2.19 -0.06 0.00 -1.71 0.00 0.00 66.02 61.92 3kas s SER 452 CO -0.10 -0.54 0.59 0.26 1.20 0.00 0.00 173.24 174.65 3kas s TRP 453 N 1.86 3.45 0.37 3.44 0.23 0.15 -1.47 118.94 126.97 3kas s TRP 453 Ca 0.07 0.84 0.08 0.00 -2.03 0.00 0.00 56.10 55.07 3kas s TRP 453 Cb -0.19 -2.25 -0.06 0.00 0.03 0.00 0.00 33.47 31.00 3kas s TRP 453 CO 0.11 0.17 0.04 0.45 0.96 0.00 0.00 176.95 178.68 3kas s SER 454 N -2.74 4.14 -1.32 2.95 0.15 -1.26 -0.56 113.70 115.06 3kas s SER 454 Ca 0.47 -1.11 -0.06 0.00 0.70 0.00 0.00 55.95 55.95 3kas s SER 454 Cb -0.11 -0.48 0.04 0.00 -1.71 0.00 0.00 66.02 63.76 3kas s SER 454 CO 0.25 -0.36 0.40 0.00 1.20 0.00 0.00 173.24 174.74 3kas n ALA 455 N -1.01 -0.97 0.05 5.45 0.00 -1.26 -1.39 120.51 121.38 3kas n ALA 455 Ca -0.04 0.14 -0.01 0.00 0.00 0.00 0.00 53.44 53.53 3kas n ALA 455 Cb 0.64 -2.77 0.27 0.00 0.00 0.00 0.00 19.45 17.59 3kas n ALA 455 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3kas h GLY 456 N -0.84 0.41 2.00 0.00 0.00 -1.86 -1.16 103.07 101.62 3kas h GLY 456 Ca -0.43 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 46.60 3kas h GLY 456 CO 0.50 0.28 0.00 -0.55 0.00 0.00 0.00 176.54 176.77 3kas h ASP 457 N 0.34 0.00 -0.58 0.19 3.32 -1.89 -1.37 116.42 116.44 3kas h ASP 457 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 3kas h ASP 457 Cb 0.56 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.11 3kas h ASP 457 CO 0.04 0.00 0.00 0.49 -1.72 0.00 0.00 179.24 178.05 3kas n PHE 458 N -2.75 0.77 0.00 4.55 3.01 -1.17 -4.49 117.46 117.38 3kas n PHE 458 Ca 0.00 -0.39 0.00 0.00 1.01 0.00 0.00 57.45 58.08 3kas n PHE 458 Cb 0.22 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.69 3kas n PHE 458 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3kas n GLY 459 N 1.54 0.69 3.90 1.37 0.00 -0.69 -4.67 105.19 107.34 3kas n GLY 459 Ca 0.22 -0.47 -0.31 0.00 0.00 0.00 0.00 46.02 45.45 3kas n GLY 459 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3kas n SER 460 N 0.00 -2.88 0.07 1.61 7.64 -0.60 -2.05 113.62 117.41 3kas n SER 460 Ca 0.00 -0.75 -0.13 0.00 1.01 0.00 0.00 58.87 59.00 3kas n SER 460 Cb 0.00 -2.41 -0.07 0.00 -1.01 0.00 0.00 64.21 60.72 3kas n SER 460 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3kas h VAL 461 N -1.06 0.95 -0.38 0.44 2.07 -1.42 -0.09 116.25 116.76 3kas h VAL 461 Ca -0.49 -0.09 0.07 0.00 0.82 0.00 0.00 66.70 67.01 3kas h VAL 461 Cb 1.32 1.01 -0.09 0.00 -1.52 0.00 0.00 31.29 32.02 3kas h VAL 461 CO 0.67 0.02 -0.36 1.23 0.02 0.00 0.00 177.57 179.16 3kas h GLY 462 N -0.14 -0.35 0.82 2.17 0.00 -1.35 0.06 103.07 104.28 3kas h GLY 462 Ca -0.01 0.45 0.03 0.00 0.00 0.00 0.00 47.33 47.80 3kas h GLY 462 CO 0.02 -0.20 0.26 0.00 0.00 0.00 0.00 176.54 176.61 3kas h ALA 463 N 0.63 0.59 -0.61 3.60 0.00 -1.70 -2.72 119.26 119.06 3kas h ALA 463 Ca 0.16 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 3kas h ALA 463 Cb 0.56 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3kas h ALA 463 CO -0.54 -0.08 0.02 1.15 0.00 0.00 0.00 179.25 179.80 3kas h THR 464 N 0.51 1.27 -0.50 0.00 2.02 -0.55 -0.81 112.91 114.84 3kas h THR 464 Ca 0.20 -1.13 0.00 0.00 0.77 0.00 0.00 66.41 66.25 3kas h THR 464 Cb 0.07 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 3kas h THR 464 CO -0.11 0.41 0.32 -0.33 0.37 0.00 0.00 175.52 176.18 3kas h GLU 465 N 0.96 0.67 0.14 6.66 4.39 -0.78 0.20 114.58 126.81 3kas h GLU 465 Ca 0.17 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.82 3kas h GLU 465 Cb 0.54 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 3kas h GLU 465 CO 0.03 0.45 -0.07 2.35 -1.16 0.00 0.00 179.01 180.62 3kas h TRP 466 N 0.68 -0.17 -1.01 4.33 7.01 -1.37 -2.81 115.95 122.61 3kas h TRP 466 Ca 0.18 -0.00 0.26 0.00 2.11 0.00 0.00 58.89 61.44 3kas h TRP 466 Cb -0.06 0.06 -0.13 0.00 -2.10 0.00 0.00 29.16 26.93 3kas h TRP 466 CO -0.04 0.04 0.60 -0.07 -2.79 0.00 0.00 178.44 176.18 3kas h LEU 467 N -0.36 0.63 -1.38 0.65 3.38 -0.82 -1.95 115.31 115.46 3kas h LEU 467 Ca -0.02 0.15 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 3kas h LEU 467 Cb 0.29 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 3kas h LEU 467 CO 0.03 0.05 -0.05 -0.33 0.09 0.00 0.00 178.44 178.23 3kas h GLU 468 N 0.51 0.00 0.00 1.13 5.08 -0.70 -1.75 114.58 118.85 3kas h GLU 468 Ca 0.66 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 59.01 3kas h GLU 468 Cb 1.35 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.60 3kas h GLU 468 CO -0.49 0.05 -0.08 0.78 -1.00 0.00 0.00 179.01 178.26 3kas h GLY 469 N 2.06 0.00 -4.46 -3.84 0.00 -1.29 -3.21 103.07 92.32 3kas h GLY 469 Ca -0.00 0.00 -0.46 0.00 0.00 0.00 0.00 47.33 46.87 3kas h GLY 469 CO 0.01 0.00 -0.92 -1.72 0.00 0.00 0.00 176.54 173.91 3kas n TYR 470 N -3.62 2.33 -0.10 5.60 4.02 -0.67 -4.95 117.16 119.76 3kas n TYR 470 Ca -0.02 -2.44 -0.03 0.00 -0.01 0.00 0.00 57.90 55.40 3kas n TYR 470 Cb 0.20 -0.27 -0.02 0.00 -0.02 0.00 0.00 39.34 39.23 3kas n TYR 470 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 176.86 175.74 3kas n LEU 471 N -0.56 -0.26 -0.46 7.72 7.94 -1.17 -1.43 117.00 128.79 3kas n LEU 471 Ca 0.30 0.73 0.07 0.00 -1.11 0.00 0.00 56.01 56.00 3kas n LEU 471 Cb 0.85 -0.20 0.03 0.00 0.53 0.00 0.00 43.42 44.63 3kas n LEU 471 CO 0.29 -0.50 0.37 -1.54 -1.11 0.00 0.00 177.39 174.90 3kas n SER 472 N -3.52 1.86 -0.05 1.96 3.41 -1.26 -4.51 113.62 111.52 3kas n SER 472 Ca 0.00 -1.43 0.01 0.00 -0.26 0.00 0.00 58.87 57.19 3kas n SER 472 Cb 0.06 0.21 -0.15 0.00 -0.26 0.00 0.00 64.21 64.08 3kas n SER 472 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3kas n SER 473 N 0.36 0.61 -0.12 4.04 3.41 -0.97 -4.57 113.62 116.39 3kas n SER 473 Ca 0.07 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.77 3kas n SER 473 Cb 0.33 1.44 0.43 0.00 -0.26 0.00 0.00 64.21 66.15 3kas n SER 473 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3kas h LEU 474 N 0.00 0.50 0.00 1.04 5.85 -1.47 -1.72 115.31 119.51 3kas h LEU 474 Ca -0.22 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.50 3kas h LEU 474 Cb 1.45 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.37 3kas h LEU 474 CO 0.01 0.32 0.00 0.00 -0.34 0.00 0.00 178.44 178.43 3kas n HIS 475 N -4.48 0.00 1.13 1.25 1.44 -1.26 -0.93 115.22 112.37 3kas n HIS 475 Ca 0.10 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.93 3kas n HIS 475 Cb 0.28 -0.21 0.19 0.00 0.12 0.00 0.00 29.99 30.37 3kas n HIS 475 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3kas n LEU 476 N -1.21 1.70 0.01 2.39 4.77 -0.65 -4.58 117.00 119.43 3kas n LEU 476 Ca 0.08 -0.57 0.00 0.00 -0.03 0.00 0.00 56.01 55.48 3kas n LEU 476 Cb 0.09 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 3kas n LEU 476 CO 0.10 0.31 -0.33 0.29 -1.33 0.00 0.00 177.39 176.43 3kas n LYS 477 N -0.13 0.00 -2.95 3.23 5.02 -0.10 -4.87 118.16 118.35 3kas n LYS 477 Ca 0.11 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.98 3kas n LYS 477 Cb 0.43 -0.43 -0.05 0.00 -0.02 0.00 0.00 35.03 34.95 3kas n LYS 477 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kas s ALA 478 N -2.00 3.45 -1.32 7.82 0.00 -0.29 -0.12 121.76 129.30 3kas s ALA 478 Ca 0.00 -0.61 0.22 0.00 0.00 0.00 0.00 51.96 51.57 3kas s ALA 478 Cb 0.00 -3.36 -0.12 0.00 0.00 0.00 0.00 23.12 19.65 3kas s ALA 478 CO 0.00 -1.44 0.99 1.97 0.00 0.00 0.00 175.76 177.28 3kas n PHE 479 N 6.39 0.00 -3.63 0.00 1.16 -0.54 -4.58 117.46 116.26 3kas n PHE 479 Ca 0.03 0.00 -0.12 0.00 -1.87 0.00 0.00 57.45 55.49 3kas n PHE 479 Cb 0.48 -0.01 -0.07 0.00 -1.61 0.00 0.00 39.48 38.27 3kas n PHE 479 CO 0.00 0.00 0.00 0.99 -1.87 0.00 0.00 176.76 175.88 3kas s THR 480 N -2.84 0.00 -0.13 1.97 2.01 -1.25 -4.21 115.64 111.19 3kas s THR 480 Ca 0.12 0.00 0.01 0.00 0.31 0.00 0.00 61.69 62.13 3kas s THR 480 Cb 0.17 -1.00 -0.01 0.00 0.01 0.00 0.00 72.50 71.67 3kas s THR 480 CO 0.77 0.00 -0.16 -0.47 -0.69 0.00 0.00 174.62 174.06 3kas s TYR 481 N 0.53 2.74 -0.26 4.92 5.04 -0.08 -0.37 117.35 129.87 3kas s TYR 481 Ca -0.01 -0.85 -0.05 0.00 -2.44 0.00 0.00 57.07 53.73 3kas s TYR 481 Cb -0.05 -1.82 0.00 0.00 0.35 0.00 0.00 41.96 40.44 3kas s TYR 481 CO -0.03 -0.33 0.01 0.42 -1.34 0.00 0.00 175.55 174.28 3kas s ILE 482 N 0.46 3.58 0.01 3.14 1.01 0.13 -1.49 121.20 128.05 3kas s ILE 482 Ca -0.12 -0.63 -0.20 0.00 0.00 0.00 0.00 60.65 59.70 3kas s ILE 482 Cb -0.16 -2.75 -0.06 0.00 0.01 0.00 0.00 42.46 39.50 3kas s ILE 482 CO 0.05 0.25 0.57 0.21 0.00 0.00 0.00 174.94 176.02 3kas s ASN 483 N 1.47 6.98 0.00 3.58 3.84 -0.31 -1.52 114.94 128.97 3kas s ASN 483 Ca 0.04 1.16 0.12 0.00 0.21 0.00 0.00 52.86 54.38 3kas s ASN 483 Cb -0.16 -2.35 0.29 0.00 -0.55 0.00 0.00 41.25 38.48 3kas s ASN 483 CO -0.01 0.16 1.20 0.18 -2.79 0.00 0.00 177.10 175.84 3kas n LEU 484 N 2.43 2.81 -4.72 3.21 4.77 -0.15 -4.44 117.00 120.92 3kas n LEU 484 Ca -0.08 -1.81 -0.42 0.00 -0.03 0.00 0.00 56.01 53.67 3kas n LEU 484 Cb 0.51 -0.20 -0.03 0.00 -2.33 0.00 0.00 43.42 41.37 3kas n LEU 484 CO 0.42 0.68 0.92 -1.81 -1.33 0.00 0.00 177.39 176.27 3kas s ASP 485 N -1.00 7.03 -1.46 -1.43 1.01 -1.26 -3.56 116.67 115.99 3kas s ASP 485 Ca 0.23 2.11 -0.10 0.00 0.71 0.00 0.00 52.55 55.50 3kas s ASP 485 Cb 0.13 -2.58 0.05 0.00 1.01 0.00 0.00 42.92 41.52 3kas s ASP 485 CO 0.17 -0.49 0.93 0.29 0.21 0.00 0.00 175.17 176.27 3kas n LYS 486 N 3.71 -5.93 0.26 8.23 5.02 -1.26 -4.85 118.16 123.35 3kas n LYS 486 Ca 0.09 0.71 0.15 0.00 -2.02 0.00 0.00 58.31 57.24 3kas n LYS 486 Cb 0.45 -5.63 0.61 0.00 -0.02 0.00 0.00 35.03 30.45 3kas n LYS 486 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kas h ALA 487 N 0.99 1.01 -3.53 7.82 0.00 -1.75 -3.41 119.26 120.40 3kas h ALA 487 Ca -0.55 -0.05 -0.60 0.00 0.00 0.00 0.00 54.91 53.71 3kas h ALA 487 Cb 1.36 -0.01 -0.39 0.00 0.00 0.00 0.00 17.79 18.76 3kas h ALA 487 CO 0.61 0.07 -0.77 0.08 0.00 0.00 0.00 179.25 179.24 3kas s VAL 488 N -3.66 1.38 0.00 0.00 1.01 -1.26 -0.52 120.40 117.34 3kas s VAL 488 Ca 0.01 -1.25 0.00 0.00 0.00 0.00 0.00 61.98 60.74 3kas s VAL 488 Cb 0.09 -1.75 0.00 0.00 0.00 0.00 0.00 36.38 34.72 3kas s VAL 488 CO 0.57 -0.23 0.00 0.18 0.00 0.00 0.00 175.10 175.63 3kas n LEU 489 N 4.71 0.01 0.00 3.92 4.77 -0.08 -4.92 117.00 125.40 3kas n LEU 489 Ca -0.09 -0.13 0.00 0.00 -0.03 0.00 0.00 56.01 55.76 3kas n LEU 489 Cb 0.44 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 3kas n LEU 489 CO 0.17 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.84 3kas n GLY 490 N 0.24 1.23 0.00 -0.72 0.00 -0.68 -4.66 105.19 100.59 3kas n GLY 490 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.35 3kas n GLY 490 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3kas n THR 491 N 0.00 0.00 -0.12 2.61 -1.04 -1.25 -3.97 114.28 110.51 3kas n THR 491 Ca 0.00 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.89 3kas n THR 491 Cb 0.00 -0.16 -0.02 0.00 -1.82 0.00 0.00 70.33 68.33 3kas n THR 491 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 3kas h SER 492 N 0.00 0.82 -2.85 8.00 0.02 -1.90 -3.45 113.55 114.19 3kas h SER 492 Ca 0.00 -0.42 -0.50 0.00 -0.84 0.00 0.00 61.79 60.03 3kas h SER 492 Cb 0.20 -0.23 -0.14 0.00 0.14 0.00 0.00 62.40 62.37 3kas h SER 492 CO 0.00 1.06 -0.71 0.20 -1.14 0.00 0.00 176.83 176.24 3kas s ASN 493 N -6.53 2.88 -0.20 3.07 0.01 0.14 -4.94 114.94 109.37 3kas s ASN 493 Ca -0.12 -1.11 0.01 0.00 -0.71 0.00 0.00 52.86 50.93 3kas s ASN 493 Cb 0.10 -0.19 0.05 0.00 0.41 0.00 0.00 41.25 41.62 3kas s ASN 493 CO 0.83 -0.21 -0.09 0.12 -1.51 0.00 0.00 177.10 176.24 3kas s PHE 494 N -2.90 2.36 0.10 2.20 5.36 -1.26 -1.10 117.98 122.75 3kas s PHE 494 Ca 0.27 -1.58 0.05 0.00 -0.96 0.00 0.00 56.93 54.71 3kas s PHE 494 Cb 0.01 -1.61 -0.04 0.00 -0.34 0.00 0.00 43.02 41.04 3kas s PHE 494 CO 0.11 -0.74 -0.00 0.15 -1.46 0.00 0.00 175.22 173.28 3kas s LYS 495 N 1.41 2.52 -0.04 10.12 3.01 0.47 -4.95 119.74 132.29 3kas s LYS 495 Ca -0.02 -0.87 -0.03 0.00 -1.01 0.00 0.00 55.97 54.04 3kas s LYS 495 Cb -0.17 -2.51 0.01 0.00 -1.01 0.00 0.00 37.83 34.15 3kas s LYS 495 CO -0.08 0.53 0.10 0.08 0.51 0.00 0.00 175.35 176.49 3kas s VAL 496 N -1.36 -0.01 -0.01 3.17 1.01 -1.26 -0.92 120.40 121.02 3kas s VAL 496 Ca 0.26 0.03 0.03 0.00 0.00 0.00 0.00 61.98 62.30 3kas s VAL 496 Cb -0.11 -0.15 -0.00 0.00 0.00 0.00 0.00 36.38 36.11 3kas s VAL 496 CO 0.18 0.01 -0.10 -0.44 0.00 0.00 0.00 175.10 174.76 3kas s SER 497 N 0.25 1.18 -0.01 3.32 0.01 0.61 -4.40 113.70 114.65 3kas s SER 497 Ca -0.02 -0.18 -0.30 0.00 1.31 0.00 0.00 55.95 56.77 3kas s SER 497 Cb -0.03 -0.18 0.10 0.00 0.21 0.00 0.00 66.02 66.13 3kas s SER 497 CO -0.01 0.11 1.07 0.00 0.41 0.00 0.00 173.24 174.82 3kas s ALA 498 N -0.13 -1.93 0.45 1.44 0.00 -1.26 -0.74 121.76 119.60 3kas s ALA 498 Ca 0.02 0.85 -0.24 0.00 0.00 0.00 0.00 51.96 52.59 3kas s ALA 498 Cb -0.05 0.34 -0.09 0.00 0.00 0.00 0.00 23.12 23.32 3kas s ALA 498 CO -0.00 -0.84 1.21 0.45 0.00 0.00 0.00 175.76 176.59 3kas n SER 499 N -0.32 2.21 0.33 0.00 2.88 -0.66 -4.87 113.62 113.19 3kas n SER 499 Ca -0.06 1.05 0.21 0.00 -1.33 0.00 0.00 58.87 58.74 3kas n SER 499 Cb 0.61 -1.48 1.15 0.00 -0.75 0.00 0.00 64.21 63.74 3kas n SER 499 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3kas h PRO 500 N 1.77 0.00 0.00 -1.46 0.11 -1.95 -2.28 132.00 128.19 3kas h PRO 500 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3kas h PRO 500 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 3kas h PRO 500 CO 0.58 0.00 0.00 -0.07 -0.21 0.00 0.00 178.00 178.30 3kas h LEU 501 N 0.00 0.00 -2.14 2.35 3.38 -1.90 -2.16 115.31 114.84 3kas h LEU 501 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kas h LEU 501 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3kas h LEU 501 CO -0.00 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.71 3kas n LEU 502 N -2.48 2.29 -0.33 1.67 4.77 -0.86 -0.32 117.00 121.74 3kas n LEU 502 Ca -0.01 -1.50 -0.03 0.00 -0.03 0.00 0.00 56.01 54.44 3kas n LEU 502 Cb 0.10 -0.10 0.09 0.00 -2.33 0.00 0.00 43.42 41.19 3kas n LEU 502 CO 0.15 0.52 1.25 1.88 -1.33 0.00 0.00 177.39 179.86 3kas h TYR 503 N 1.78 1.11 -0.14 -1.77 -1.99 -1.49 -0.01 116.97 114.46 3kas h TYR 503 Ca 0.00 0.03 -0.02 0.00 2.00 0.00 0.00 58.73 60.74 3kas h TYR 503 Cb 0.54 -0.38 -0.01 0.00 2.00 0.00 0.00 36.73 38.89 3kas h TYR 503 CO 0.10 0.69 0.02 1.15 -0.00 0.00 0.00 178.16 180.12 3kas h THR 504 N 1.19 1.22 -0.51 -2.88 2.02 -1.83 0.73 112.91 112.85 3kas h THR 504 Ca 0.33 -0.70 0.07 0.00 0.77 0.00 0.00 66.41 66.88 3kas h THR 504 Cb -0.11 1.42 -0.06 0.00 -1.74 0.00 0.00 68.15 67.66 3kas h THR 504 CO -0.08 0.21 0.18 0.25 0.37 0.00 0.00 175.52 176.44 3kas h LEU 505 N 0.01 0.17 -0.76 2.58 5.85 -1.76 -0.09 115.31 121.30 3kas h LEU 505 Ca 0.04 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 3kas h LEU 505 Cb 0.30 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.35 3kas h LEU 505 CO 0.00 0.12 0.47 0.40 -0.34 0.00 0.00 178.44 179.09 3kas h ILE 506 N 0.35 1.21 0.11 4.05 2.04 -0.73 -1.04 117.51 123.50 3kas h ILE 506 Ca 0.25 -0.45 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 3kas h ILE 506 Cb 0.28 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.49 3kas h ILE 506 CO -0.26 0.22 -0.05 -0.08 0.00 0.00 0.00 178.15 177.97 3kas h GLU 507 N 1.04 -0.15 -0.21 2.37 4.81 -0.24 -0.61 114.58 121.59 3kas h GLU 507 Ca 0.28 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.51 3kas h GLU 507 Cb -0.05 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 3kas h GLU 507 CO -0.05 0.15 0.12 0.87 -0.73 0.00 0.00 179.01 179.37 3kas h LYS 508 N -0.45 0.28 -0.25 1.92 1.57 -0.95 -1.22 116.57 117.48 3kas h LYS 508 Ca -0.02 -0.02 -0.17 0.00 -1.87 0.00 0.00 60.65 58.57 3kas h LYS 508 Cb 0.37 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.62 3kas h LYS 508 CO 0.03 0.21 -0.52 1.15 -0.57 0.00 0.00 179.45 179.75 3kas h THR 509 N 0.29 1.29 0.00 -0.16 2.02 -0.94 -2.69 112.91 112.72 3kas h THR 509 Ca 0.08 -1.72 -0.02 0.00 0.77 0.00 0.00 66.41 65.52 3kas h THR 509 Cb -0.00 1.74 -0.00 0.00 -1.74 0.00 0.00 68.15 68.15 3kas h THR 509 CO -0.01 0.55 -0.10 0.24 0.37 0.00 0.00 175.52 176.56 3kas h MET 510 N 0.53 0.00 0.00 6.66 2.86 -0.49 -1.69 114.93 122.80 3kas h MET 510 Ca 0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 3kas h MET 510 Cb 1.13 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.79 3kas h MET 510 CO 0.11 0.10 0.00 1.04 1.06 0.00 0.00 176.91 179.23 3kas n GLN 511 N -3.38 0.23 -0.25 1.72 6.02 -0.52 -1.83 117.38 119.36 3kas n GLN 511 Ca -0.01 0.27 0.02 0.00 -0.01 0.00 0.00 57.00 57.27 3kas n GLN 511 Cb 0.28 -1.81 0.03 0.00 1.02 0.00 0.00 30.24 29.76 3kas n GLN 511 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 3kas n ASN 512 N -2.21 0.66 -4.59 1.08 0.23 -1.04 -4.92 115.26 104.45 3kas n ASN 512 Ca 0.05 -1.99 -0.34 0.00 -0.53 0.00 0.00 54.58 51.76 3kas n ASN 512 Cb 0.36 -0.18 -0.11 0.00 -2.08 0.00 0.00 39.78 37.77 3kas n ASN 512 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 3kas s VAL 513 N -0.67 4.14 0.08 3.53 1.01 -0.66 -5.06 120.40 122.78 3kas s VAL 513 Ca 0.06 -0.29 -0.07 0.00 0.00 0.00 0.00 61.98 61.68 3kas s VAL 513 Cb 0.06 -2.78 -0.05 0.00 0.00 0.00 0.00 36.38 33.60 3kas s VAL 513 CO 0.01 0.54 0.36 -0.54 0.00 0.00 0.00 175.10 175.47 3kas s LYS 514 N -0.23 3.67 0.20 2.72 1.02 -1.26 -0.70 119.74 125.16 3kas s LYS 514 Ca 0.05 0.03 -0.31 0.00 0.02 0.00 0.00 55.97 55.76 3kas s LYS 514 Cb -0.13 -2.97 -0.09 0.00 -0.52 0.00 0.00 37.83 34.13 3kas s LYS 514 CO 0.02 0.55 1.42 -1.58 -0.92 0.00 0.00 175.35 174.85 3kas s HIS 515 N -1.46 3.13 0.42 3.18 5.65 0.10 -4.81 115.29 121.50 3kas s HIS 515 Ca 0.34 0.98 0.13 0.00 0.25 0.00 0.00 55.06 56.76 3kas s HIS 515 Cb -0.13 -3.76 0.90 0.00 -1.18 0.00 0.00 32.58 28.40 3kas s HIS 515 CO 0.20 -2.58 1.95 -1.35 -0.65 0.00 0.00 174.74 172.31 3kas h PRO 516 N 5.79 0.07 0.00 2.88 0.11 -1.90 -0.49 132.00 138.47 3kas h PRO 516 Ca -0.44 -0.02 -0.35 0.00 0.11 0.00 0.00 66.00 65.30 3kas h PRO 516 Cb 1.21 -0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.26 3kas h PRO 516 CO 0.82 0.26 -2.08 0.28 -0.21 0.00 0.00 178.00 177.08 3kas n VAL 517 N -4.28 1.52 -0.08 3.15 0.31 -1.26 -4.72 118.33 112.97 3kas n VAL 517 Ca -0.02 -0.24 -0.14 0.00 -0.01 0.00 0.00 64.34 63.93 3kas n VAL 517 Cb 0.27 -1.99 -0.04 0.00 -0.91 0.00 0.00 33.84 31.17 3kas n VAL 517 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 3kas h THR 518 N -1.00 1.29 0.00 2.52 2.02 -1.94 -3.47 112.91 112.34 3kas h THR 518 Ca -0.53 -1.60 0.00 0.00 0.77 0.00 0.00 66.41 65.04 3kas h THR 518 Cb 1.45 1.64 0.00 0.00 -1.74 0.00 0.00 68.15 69.50 3kas h THR 518 CO -0.32 0.52 0.00 0.61 0.37 0.00 0.00 175.52 176.69 3kas n GLY 519 N 0.29 1.99 3.87 2.16 0.00 -0.19 -4.99 105.19 108.32 3kas n GLY 519 Ca -0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 3kas n GLY 519 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kas s GLN 520 N -0.56 3.71 0.53 1.61 -1.52 -1.26 -4.63 119.66 117.53 3kas s GLN 520 Ca 0.00 0.64 -0.21 0.00 -1.95 0.00 0.00 55.36 53.84 3kas s GLN 520 Cb 0.00 -2.21 -0.05 0.00 -0.22 0.00 0.00 33.01 30.53 3kas s GLN 520 CO 0.00 -0.33 1.27 -0.06 -0.25 0.00 0.00 175.29 175.92 3kas s PHE 521 N -2.81 2.49 0.54 0.91 0.40 -1.26 0.03 117.98 118.27 3kas s PHE 521 Ca 0.54 1.46 0.23 0.00 -0.60 0.00 0.00 56.93 58.55 3kas s PHE 521 Cb -0.10 -3.60 1.40 0.00 0.51 0.00 0.00 43.02 41.23 3kas s PHE 521 CO 0.42 -2.32 2.07 -0.07 0.70 0.00 0.00 175.22 176.03 3kas h LEU 522 N 1.52 0.00 -8.74 -0.37 3.38 -0.57 -3.40 115.31 107.13 3kas h LEU 522 Ca -0.50 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 56.91 3kas h LEU 522 Cb 1.28 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.96 3kas h LEU 522 CO 0.58 0.00 0.93 -0.47 0.09 0.00 0.00 178.44 179.57 3kas s TYR 523 N -4.97 2.81 0.00 1.13 5.04 -0.76 -4.76 117.35 115.85 3kas s TYR 523 Ca -0.05 0.74 0.00 0.00 -2.44 0.00 0.00 57.07 55.32 3kas s TYR 523 Cb 0.18 -4.39 0.00 0.00 0.35 0.00 0.00 41.96 38.10 3kas s TYR 523 CO 0.68 -1.28 0.00 0.94 -1.34 0.00 0.00 175.55 174.55 3kas n GLN 524 N 7.80 1.59 -3.84 4.97 -0.06 -1.26 -4.94 117.38 121.64 3kas n GLN 524 Ca 0.12 -0.00 -0.29 0.00 -2.00 0.00 0.00 57.00 54.83 3kas n GLN 524 Cb 0.49 -0.12 -0.16 0.00 -4.06 0.00 0.00 30.24 26.39 3kas n GLN 524 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 3kas s ASP 525 N -0.23 3.56 0.25 1.69 2.15 -1.26 -4.99 116.67 117.84 3kas s ASP 525 Ca 0.00 -1.14 0.14 0.00 0.43 0.00 0.00 52.55 51.98 3kas s ASP 525 Cb 0.00 -0.94 0.78 0.00 -0.30 0.00 0.00 42.92 42.46 3kas s ASP 525 CO 0.00 -0.29 1.39 -1.54 -0.17 0.00 0.00 175.17 174.56 3kas n SER 526 N 4.82 0.37 -0.36 -0.34 3.41 -1.26 -1.92 113.62 118.34 3kas n SER 526 Ca -0.09 0.63 0.05 0.00 -0.26 0.00 0.00 58.87 59.20 3kas n SER 526 Cb 0.45 -0.65 0.11 0.00 -0.26 0.00 0.00 64.21 63.86 3kas n SER 526 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3kas n ASN 527 N -2.01 2.65 -0.21 4.04 2.85 -1.26 -4.73 115.26 116.59 3kas n ASN 527 Ca -0.01 -2.32 0.23 0.00 -0.11 0.00 0.00 54.58 52.37 3kas n ASN 527 Cb 0.12 -0.22 0.60 0.00 1.24 0.00 0.00 39.78 41.51 3kas n ASN 527 CO 0.00 0.00 0.00 4.11 -2.11 0.00 0.00 177.26 179.26 3kas h TRP 528 N 0.95 0.33 0.00 1.20 5.08 -1.82 -2.56 115.95 119.13 3kas h TRP 528 Ca 0.00 0.01 -0.05 0.00 1.08 0.00 0.00 58.89 59.93 3kas h TRP 528 Cb 0.79 -0.10 -0.01 0.00 -3.00 0.00 0.00 29.16 26.85 3kas h TRP 528 CO 0.15 0.08 -0.23 0.00 -1.28 0.00 0.00 178.44 177.17 3kas h ALA 529 N 1.60 1.30 0.00 0.11 0.00 -1.86 -2.43 119.26 117.98 3kas h ALA 529 Ca 0.45 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3kas h ALA 529 Cb 1.38 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.13 3kas h ALA 529 CO -0.12 0.28 -0.30 -1.13 0.00 0.00 0.00 179.25 177.99 3kas n SER 530 N -3.80 0.34 -0.93 0.00 3.41 -0.97 -3.44 113.62 108.24 3kas n SER 530 Ca -0.02 0.09 0.08 0.00 -0.26 0.00 0.00 58.87 58.77 3kas n SER 530 Cb 0.33 -0.08 0.21 0.00 -0.26 0.00 0.00 64.21 64.41 3kas n SER 530 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3kas n LYS 531 N -1.58 2.63 -2.54 4.33 5.02 -0.93 -4.97 118.16 120.13 3kas n LYS 531 Ca 0.06 -2.23 -0.42 0.00 -2.02 0.00 0.00 58.31 53.69 3kas n LYS 531 Cb 0.35 -1.40 -0.03 0.00 -0.02 0.00 0.00 35.03 33.94 3kas n LYS 531 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3kas s VAL 532 N -1.05 4.43 0.27 -0.18 1.01 -1.15 -5.03 120.40 118.69 3kas s VAL 532 Ca 0.33 1.73 -0.12 0.00 0.00 0.00 0.00 61.98 63.92 3kas s VAL 532 Cb 0.18 -4.11 -0.08 0.00 0.00 0.00 0.00 36.38 32.36 3kas s VAL 532 CO 0.24 0.02 0.64 -1.61 0.00 0.00 0.00 175.10 174.38 3kas s GLU 533 N 1.95 3.90 0.50 2.72 2.02 -1.26 -5.05 118.70 123.48 3kas s GLU 533 Ca 0.54 0.46 -0.14 0.00 0.02 0.00 0.00 54.97 55.85 3kas s GLU 533 Cb -0.23 -2.56 -0.07 0.00 0.10 0.00 0.00 34.13 31.38 3kas s GLU 533 CO 0.22 0.25 0.92 -1.59 0.02 0.00 0.00 175.26 175.08 3kas s LYS 534 N -2.87 3.83 0.25 1.61 -2.85 -1.26 -4.49 119.74 113.97 3kas s LYS 534 Ca 0.50 0.75 -0.31 0.00 -1.00 0.00 0.00 55.97 55.92 3kas s LYS 534 Cb -0.11 -2.21 -0.13 0.00 -2.06 0.00 0.00 37.83 33.31 3kas s LYS 534 CO 0.19 -0.24 1.34 1.28 0.10 0.00 0.00 175.35 178.02 3kas n LEU 535 N -1.69 2.93 -4.90 2.77 4.77 -1.26 -5.00 117.00 114.62 3kas n LEU 535 Ca 0.05 1.16 -0.20 0.00 -0.03 0.00 0.00 56.01 56.98 3kas n LEU 535 Cb 0.54 -1.41 -0.02 0.00 -2.33 0.00 0.00 43.42 40.20 3kas n LEU 535 CO 0.49 -0.63 0.03 0.42 -1.33 0.00 0.00 177.39 176.36 3kas s THR 536 N -0.31 2.65 0.43 -5.08 -4.23 -1.26 -4.97 115.64 102.86 3kas s THR 536 Ca 0.66 -1.29 0.18 0.00 -1.18 0.00 0.00 61.69 60.06 3kas s THR 536 Cb -0.66 -2.94 0.21 0.00 1.34 0.00 0.00 72.50 70.45 3kas s THR 536 CO 0.53 0.00 2.00 0.25 -0.54 0.00 0.00 174.62 176.86 3kas h LEU 537 N 0.94 0.00 0.00 4.79 6.46 -1.98 -1.37 115.31 124.16 3kas h LEU 537 Ca -0.41 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.35 3kas h LEU 537 Cb 1.27 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.20 3kas h LEU 537 CO 0.55 0.18 0.00 -0.90 -0.62 0.00 0.00 178.44 177.66 3kas n ASP 538 N -4.07 0.00 -4.59 1.25 3.85 -1.26 -4.75 116.55 106.98 3kas n ASP 538 Ca -0.02 -1.34 -0.34 0.00 -0.71 0.00 0.00 54.79 52.37 3kas n ASP 538 Cb 0.26 0.00 -0.11 0.00 -1.35 0.00 0.00 41.12 39.92 3kas n ASP 538 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.20 176.40 3kas s ASN 539 N -1.63 5.36 0.54 -1.12 3.84 -0.52 -4.93 114.94 116.49 3kas s ASN 539 Ca 0.29 0.01 0.36 0.00 0.21 0.00 0.00 52.86 53.72 3kas s ASN 539 Cb 0.13 -1.91 1.86 0.00 -0.55 0.00 0.00 41.25 40.78 3kas s ASN 539 CO 0.22 0.16 2.10 0.00 -2.79 0.00 0.00 177.10 176.79 3kas h ALA 540 N 6.77 1.00 0.00 1.71 0.00 -1.86 -0.23 119.26 126.65 3kas h ALA 540 Ca -0.35 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 3kas h ALA 540 Cb 1.17 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 3kas h ALA 540 CO 0.68 0.00 -0.20 0.00 0.00 0.00 0.00 179.25 179.73 3kas h ALA 541 N 2.02 1.00 0.70 0.00 0.00 -1.93 -3.33 119.26 117.73 3kas h ALA 541 Ca 0.00 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 3kas h ALA 541 Cb 0.12 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.88 3kas h ALA 541 CO 0.00 0.25 -0.34 0.35 0.00 0.00 0.00 179.25 179.51 3kas h PHE 542 N 0.00 -0.87 -0.68 0.00 3.57 -1.26 -2.75 116.94 114.94 3kas h PHE 542 Ca -0.00 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.50 3kas h PHE 542 Cb 0.75 0.29 -0.04 0.00 2.79 0.00 0.00 35.95 39.74 3kas h PHE 542 CO 0.00 -0.54 0.45 -1.35 -2.23 0.00 0.00 178.31 174.64 3kas h PRO 543 N -0.95 0.82 0.12 6.41 0.11 -1.73 0.17 132.00 136.95 3kas h PRO 543 Ca -0.10 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 65.98 3kas h PRO 543 Cb 0.72 -0.18 -0.04 0.00 0.11 0.00 0.00 31.00 31.61 3kas h PRO 543 CO 0.16 0.54 -0.33 0.74 -0.21 0.00 0.00 178.00 178.90 3kas h PHE 544 N 0.84 -0.89 0.37 0.65 -1.00 -1.69 0.12 116.94 115.34 3kas h PHE 544 Ca 0.27 0.02 -0.02 0.00 2.81 0.00 0.00 57.97 61.05 3kas h PHE 544 Cb 0.03 0.38 0.00 0.00 3.61 0.00 0.00 35.95 39.97 3kas h PHE 544 CO -0.00 -0.43 -0.18 1.25 -1.61 0.00 0.00 178.31 177.34 3kas h LEU 545 N -0.56 -0.43 0.00 1.54 5.85 -1.16 -0.01 115.31 120.55 3kas h LEU 545 Ca 0.03 -0.14 -0.12 0.00 0.84 0.00 0.00 57.88 58.49 3kas h LEU 545 Cb 0.58 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.71 3kas h LEU 545 CO -0.19 -0.02 -0.79 0.00 -0.34 0.00 0.00 178.44 177.09 3kas h ALA 546 N -0.52 0.66 0.00 1.25 0.00 -0.69 -2.28 119.26 117.68 3kas h ALA 546 Ca -0.05 -0.54 -0.35 0.00 0.00 0.00 0.00 54.91 53.97 3kas h ALA 546 Cb 0.54 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.30 3kas h ALA 546 CO 0.08 0.67 -2.32 0.98 0.00 0.00 0.00 179.25 178.66 3kas n TYR 547 N -3.09 0.00 -0.03 0.00 9.36 0.32 -1.81 117.16 121.91 3kas n TYR 547 Ca -0.02 0.00 0.07 0.00 3.32 0.00 0.00 57.90 61.27 3kas n TYR 547 Cb 0.75 -0.90 -0.17 0.00 -0.63 0.00 0.00 39.34 38.40 3kas n TYR 547 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 3kas n SER 548 N -3.14 0.00 -0.07 2.98 7.64 -0.59 -4.84 113.62 115.60 3kas n SER 548 Ca -0.40 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.48 3kas n SER 548 Cb 0.95 1.80 0.00 0.00 -1.01 0.00 0.00 64.21 65.96 3kas n SER 548 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kas n GLY 549 N 1.35 0.47 3.38 0.23 0.00 -0.12 -4.42 105.19 106.09 3kas n GLY 549 Ca -0.10 -0.85 -0.35 0.00 0.00 0.00 0.00 46.02 44.73 3kas n GLY 549 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kas s ILE 550 N -2.14 3.64 0.35 -0.61 1.01 -0.62 -3.14 121.20 119.69 3kas s ILE 550 Ca 0.00 -0.42 -0.28 0.00 0.00 0.00 0.00 60.65 59.95 3kas s ILE 550 Cb 0.00 -2.64 -0.12 0.00 0.01 0.00 0.00 42.46 39.71 3kas s ILE 550 CO 0.00 0.43 1.32 -2.65 0.00 0.00 0.00 174.94 174.04 3kas n PRO 551 N 4.42 2.21 -3.97 2.79 -0.02 -1.26 -2.64 135.00 136.53 3kas n PRO 551 Ca -0.18 0.77 -0.09 0.00 -2.02 0.00 0.00 63.50 61.99 3kas n PRO 551 Cb 0.51 -2.38 -0.10 0.00 -0.02 0.00 0.00 33.50 31.52 3kas n PRO 551 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kas s ALA 552 N -1.10 0.08 -0.08 3.55 0.00 -1.26 -0.91 121.76 122.05 3kas s ALA 552 Ca 0.55 -0.71 -0.05 0.00 0.00 0.00 0.00 51.96 51.75 3kas s ALA 552 Cb -0.55 0.26 0.03 0.00 0.00 0.00 0.00 23.12 22.85 3kas s ALA 552 CO 0.63 -0.32 0.19 0.54 0.00 0.00 0.00 175.76 176.79 3kas s VAL 553 N -2.83 -0.03 0.09 0.00 0.11 -0.55 -1.66 120.40 115.53 3kas s VAL 553 Ca -0.03 0.11 0.09 0.00 -2.93 0.00 0.00 61.98 59.22 3kas s VAL 553 Cb 0.00 -0.29 -0.03 0.00 -1.53 0.00 0.00 36.38 34.53 3kas s VAL 553 CO -0.06 0.04 -0.23 -0.55 -3.33 0.00 0.00 175.10 170.98 3kas s SER 554 N 0.84 2.82 0.16 3.54 0.15 0.08 -1.16 113.70 120.14 3kas s SER 554 Ca -0.06 -0.66 -0.16 0.00 0.70 0.00 0.00 55.95 55.77 3kas s SER 554 Cb -0.08 -0.19 0.03 0.00 -1.71 0.00 0.00 66.02 64.07 3kas s SER 554 CO -0.05 0.14 0.45 0.72 1.20 0.00 0.00 173.24 175.70 3kas s PHE 555 N -1.02 -0.10 0.03 3.44 -0.12 -1.26 -0.29 117.98 118.66 3kas s PHE 555 Ca 0.09 -0.23 -0.28 0.00 -0.05 0.00 0.00 56.93 56.46 3kas s PHE 555 Cb -0.10 0.29 0.10 0.00 -0.63 0.00 0.00 43.02 42.68 3kas s PHE 555 CO 0.04 -0.81 0.85 0.00 -0.05 0.00 0.00 175.22 175.25 3kas s PHE 557 N -3.22 3.49 0.16 0.00 0.40 0.32 -0.39 117.98 118.74 3kas s PHE 557 Ca 0.05 0.69 -0.07 0.00 -0.60 0.00 0.00 56.93 56.99 3kas s PHE 557 Cb -0.01 -2.38 0.03 0.00 0.51 0.00 0.00 43.02 41.16 3kas s PHE 557 CO -0.09 0.25 0.37 0.00 0.70 0.00 0.00 175.22 176.46 3kas n GLU 559 N -0.26 1.35 0.00 0.00 4.71 -1.26 0.25 120.64 125.43 3kas n GLU 559 Ca -0.03 -1.42 0.08 0.00 -0.01 0.00 0.00 57.16 55.77 3kas n GLU 559 Cb 0.26 0.27 0.45 0.00 -1.01 0.00 0.00 31.44 31.42 3kas n GLU 559 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 3kas n ASP 560 N -1.52 0.00 -4.29 1.62 9.92 -1.26 -4.75 116.55 116.26 3kas n ASP 560 Ca -0.05 -1.44 -0.29 0.00 -0.53 0.00 0.00 54.79 52.48 3kas n ASP 560 Cb 0.25 0.00 -0.15 0.00 -0.64 0.00 0.00 41.12 40.58 3kas n ASP 560 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 3kas s THR 561 N -2.00 1.94 0.53 -3.53 2.01 -1.26 -5.11 115.64 108.21 3kas s THR 561 Ca 0.23 -1.14 -0.21 0.00 0.31 0.00 0.00 61.69 60.88 3kas s THR 561 Cb 0.10 -1.63 -0.06 0.00 0.01 0.00 0.00 72.50 70.92 3kas s THR 561 CO 0.18 0.46 1.17 -1.81 -0.69 0.00 0.00 174.62 173.93 3kas s ASP 562 N -0.81 5.74 -0.26 3.53 1.01 -1.26 -4.92 116.67 119.71 3kas s ASP 562 Ca 0.10 2.29 -0.29 0.00 0.71 0.00 0.00 52.55 55.37 3kas s ASP 562 Cb -0.09 -2.59 -0.03 0.00 1.01 0.00 0.00 42.92 41.21 3kas s ASP 562 CO 0.00 -1.21 1.74 -0.47 0.21 0.00 0.00 175.17 175.44 3kas s TYR 563 N -1.63 1.89 0.47 4.23 5.04 -1.26 -4.87 117.35 121.22 3kas s TYR 563 Ca 0.71 0.53 0.16 0.00 -2.44 0.00 0.00 57.07 56.03 3kas s TYR 563 Cb -0.28 -4.06 1.14 0.00 0.35 0.00 0.00 41.96 39.12 3kas s TYR 563 CO 0.32 -3.13 2.05 -1.00 -1.34 0.00 0.00 175.55 172.46 3kas h PRO 564 N 11.86 0.00 -0.08 4.97 0.13 -1.91 -3.12 132.00 143.85 3kas h PRO 564 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 3kas h PRO 564 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3kas h PRO 564 CO 1.01 0.12 0.00 0.66 -0.23 0.00 0.00 178.00 179.56 3kas n TYR 565 N -4.32 0.09 -1.77 1.56 4.02 -1.26 -4.89 117.16 110.59 3kas n TYR 565 Ca -0.03 -0.04 -0.42 0.00 -0.01 0.00 0.00 57.90 57.40 3kas n TYR 565 Cb 0.19 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.49 3kas n TYR 565 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3kas s LEU 566 N -1.82 4.35 -0.17 7.72 1.43 -1.18 -1.65 118.68 127.37 3kas s LEU 566 Ca 0.36 2.91 0.00 0.00 -1.03 0.00 0.00 54.13 56.37 3kas s LEU 566 Cb 0.19 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.79 3kas s LEU 566 CO 0.30 -0.93 0.00 0.61 0.23 0.00 0.00 176.35 176.57 3kas n GLY 567 N 2.79 0.52 3.70 -3.19 0.00 -1.26 -4.86 105.19 102.89 3kas n GLY 567 Ca 0.11 -0.54 -0.31 0.00 0.00 0.00 0.00 46.02 45.28 3kas n GLY 567 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kas s THR 568 N -2.00 1.16 -1.75 2.61 -4.23 -0.66 -1.08 115.64 109.69 3kas s THR 568 Ca 0.00 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 58.80 3kas s THR 568 Cb 0.00 -2.29 0.49 0.00 1.34 0.00 0.00 72.50 72.03 3kas s THR 568 CO 0.00 0.00 1.86 0.35 -0.54 0.00 0.00 174.62 176.29 3kas n THR 569 N -1.16 0.00 1.43 3.99 -2.24 -1.26 -3.30 114.28 111.74 3kas n THR 569 Ca -0.15 -0.08 0.14 0.00 -2.27 0.00 0.00 64.05 61.69 3kas n THR 569 Cb 0.67 -0.05 0.48 0.00 -2.10 0.00 0.00 70.33 69.34 3kas n THR 569 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 3kas n MET 570 N -0.84 1.48 -1.75 -0.78 2.00 -1.26 -4.60 117.12 111.38 3kas n MET 570 Ca 0.15 -0.87 -0.42 0.00 0.00 0.00 0.00 57.70 56.57 3kas n MET 570 Cb 0.27 -1.48 -0.02 0.00 0.00 0.00 0.00 33.22 32.00 3kas n MET 570 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 3kas n ASP 571 N -0.00 3.66 -4.69 7.83 2.03 -1.21 -4.71 116.55 119.46 3kas n ASP 571 Ca 0.17 -2.80 -0.23 0.00 0.52 0.00 0.00 54.79 52.45 3kas n ASP 571 Cb 0.36 -1.55 -0.07 0.00 -0.72 0.00 0.00 41.12 39.14 3kas n ASP 571 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 3kas s THR 572 N 4.30 3.17 0.20 5.18 -4.23 -1.26 -0.77 115.64 122.23 3kas s THR 572 Ca 0.52 -1.81 -0.10 0.00 -1.18 0.00 0.00 61.69 59.12 3kas s THR 572 Cb 0.12 -2.92 0.13 0.00 1.34 0.00 0.00 72.50 71.17 3kas s THR 572 CO 0.00 -0.26 1.78 0.22 -0.54 0.00 0.00 174.62 175.82 3kas h TYR 573 N 1.71 0.53 -0.88 3.99 3.20 -1.90 -0.07 116.97 123.55 3kas h TYR 573 Ca -0.44 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.45 3kas h TYR 573 Cb 1.25 -0.15 -0.04 0.00 1.54 0.00 0.00 36.73 39.33 3kas h TYR 573 CO 0.66 0.22 0.53 0.87 -1.64 0.00 0.00 178.16 178.80 3kas h LYS 574 N 0.54 1.19 -0.21 1.82 1.57 -1.95 0.60 116.57 120.13 3kas h LYS 574 Ca 0.28 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 58.94 3kas h LYS 574 Cb 0.25 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 3kas h LYS 574 CO -0.22 0.83 0.03 1.49 -0.57 0.00 0.00 179.45 181.02 3kas h GLU 575 N 1.21 0.34 -0.03 3.15 4.57 -1.75 -2.34 114.58 119.72 3kas h GLU 575 Ca 0.32 -0.09 0.02 0.00 -1.18 0.00 0.00 59.36 58.42 3kas h GLU 575 Cb -0.06 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.48 3kas h GLU 575 CO -0.06 0.49 -0.06 1.25 -1.18 0.00 0.00 179.01 179.45 3kas h LEU 576 N 0.14 -0.17 -1.31 1.64 5.85 0.04 -2.10 115.31 119.40 3kas h LEU 576 Ca 0.06 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.81 3kas h LEU 576 Cb 0.31 0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.42 3kas h LEU 576 CO 0.00 -0.08 0.00 -0.29 -0.34 0.00 0.00 178.44 177.73 3kas h ILE 577 N -0.09 0.00 0.17 4.05 6.09 0.19 -1.43 117.51 126.49 3kas h ILE 577 Ca 0.04 -0.28 -0.27 0.00 -1.37 0.00 0.00 64.86 62.97 3kas h ILE 577 Cb 0.13 1.11 0.02 0.00 0.47 0.00 0.00 36.82 38.55 3kas h ILE 577 CO -0.08 0.00 -1.26 -0.08 -3.07 0.00 0.00 178.15 173.65 3kas h GLU 578 N 0.00 0.35 0.00 2.19 4.81 -0.83 -3.05 114.58 118.05 3kas h GLU 578 Ca 0.00 -0.60 -0.03 0.00 -0.13 0.00 0.00 59.36 58.60 3kas h GLU 578 Cb 0.34 0.23 -0.00 0.00 0.63 0.00 0.00 28.75 29.94 3kas h GLU 578 CO 0.00 1.29 -0.13 0.00 -0.73 0.00 0.00 179.01 179.44 3kas h ARG 579 N -0.17 0.00 -2.61 1.92 3.08 -1.22 -3.39 114.38 111.99 3kas h ARG 579 Ca -0.24 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.21 3kas h ARG 579 Cb 1.86 0.00 -0.39 0.00 0.08 0.00 0.00 29.97 31.52 3kas h ARG 579 CO 0.16 0.13 -0.85 0.42 -1.07 0.00 0.00 179.97 178.76 3kas s ILE 580 N -3.20 0.86 0.22 2.04 1.01 -0.56 -4.97 121.20 116.60 3kas s ILE 580 Ca 0.06 -2.71 0.33 0.00 0.00 0.00 0.00 60.65 58.32 3kas s ILE 580 Cb 0.06 -1.60 0.36 0.00 0.01 0.00 0.00 42.46 41.30 3kas s ILE 580 CO 0.68 -1.10 2.02 -0.65 0.00 0.00 0.00 174.94 175.88 3kas h PRO 581 N 6.03 0.00 -0.81 2.79 0.11 -1.74 -1.94 132.00 136.44 3kas h PRO 581 Ca 0.17 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.25 3kas h PRO 581 Cb 0.90 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.99 3kas h PRO 581 CO 0.42 0.05 0.03 0.39 -0.21 0.00 0.00 178.00 178.69 3kas n GLU 582 N -3.20 2.88 -0.35 1.05 4.71 -1.26 -4.65 120.64 119.82 3kas n GLU 582 Ca -0.00 -1.62 0.03 0.00 -0.01 0.00 0.00 57.16 55.56 3kas n GLU 582 Cb 0.29 -1.87 0.10 0.00 -1.01 0.00 0.00 31.44 28.95 3kas n GLU 582 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 3kas h LEU 583 N 1.95 -1.09 -0.54 -4.62 5.85 -1.69 0.04 115.31 115.20 3kas h LEU 583 Ca 0.03 0.29 0.05 0.00 0.84 0.00 0.00 57.88 59.09 3kas h LEU 583 Cb 1.34 0.65 -0.05 0.00 0.37 0.00 0.00 40.66 42.97 3kas h LEU 583 CO 0.29 -0.31 0.28 -1.13 -0.34 0.00 0.00 178.44 177.23 3kas h ASN 584 N -0.01 0.42 -0.57 1.25 -1.24 -1.88 0.20 115.58 113.75 3kas h ASN 584 Ca 0.41 0.03 -0.06 0.00 0.71 0.00 0.00 56.30 57.39 3kas h ASN 584 Cb 0.66 -0.05 -0.02 0.00 0.73 0.00 0.00 38.32 39.63 3kas h ASN 584 CO -0.98 0.28 0.12 0.50 -1.29 0.00 0.00 177.43 176.07 3kas h LYS 585 N 0.55 0.92 -0.19 6.67 3.64 -1.42 -0.71 116.57 126.03 3kas h LYS 585 Ca 0.24 -0.23 -0.07 0.00 -1.27 0.00 0.00 60.65 59.32 3kas h LYS 585 Cb 0.13 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.83 3kas h LYS 585 CO -0.16 0.87 -0.14 0.28 -2.27 0.00 0.00 179.45 178.03 3kas h VAL 586 N 0.82 1.32 -0.69 2.00 2.07 -0.68 -1.14 116.25 119.95 3kas h VAL 586 Ca 0.18 -1.26 0.04 0.00 0.82 0.00 0.00 66.70 66.48 3kas h VAL 586 Cb 0.37 1.72 -0.04 0.00 -1.52 0.00 0.00 31.29 31.83 3kas h VAL 586 CO 0.01 0.38 0.46 0.00 0.02 0.00 0.00 177.57 178.43 3kas h ALA 587 N 0.66 1.63 -0.71 1.67 0.00 -0.63 -0.80 119.26 121.08 3kas h ALA 587 Ca 0.04 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3kas h ALA 587 Cb 0.66 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 3kas h ALA 587 CO 0.04 0.28 0.37 -0.09 0.00 0.00 0.00 179.25 179.85 3kas h ARG 588 N 0.81 1.00 -0.39 0.00 2.43 -0.65 -0.86 114.38 116.71 3kas h ARG 588 Ca 0.28 -0.13 -0.10 0.00 -0.81 0.00 0.00 59.98 59.21 3kas h ARG 588 Cb 0.11 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 3kas h ARG 588 CO -0.08 0.77 -0.18 0.00 -1.51 0.00 0.00 179.97 178.96 3kas h ALA 589 N 1.18 0.94 -0.55 2.80 0.00 -0.32 -2.08 119.26 121.23 3kas h ALA 589 Ca 0.25 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 3kas h ALA 589 Cb 0.08 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3kas h ALA 589 CO -0.04 0.61 0.24 0.00 0.00 0.00 0.00 179.25 180.06 3kas h ALA 590 N 1.13 1.39 -0.01 0.00 0.00 -0.71 -2.38 119.26 118.67 3kas h ALA 590 Ca 0.10 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 3kas h ALA 590 Cb 0.67 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3kas h ALA 590 CO 0.05 0.47 -0.62 0.00 0.00 0.00 0.00 179.25 179.15 3kas h ALA 591 N 1.49 0.94 -0.25 0.00 0.00 -0.80 -2.75 119.26 117.89 3kas h ALA 591 Ca 0.19 -0.56 -0.15 0.00 0.00 0.00 0.00 54.91 54.39 3kas h ALA 591 Cb 0.13 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 3kas h ALA 591 CO -0.02 0.77 -0.43 1.49 0.00 0.00 0.00 179.25 181.06 3kas h GLU 592 N 0.03 0.73 0.13 0.00 4.81 -0.91 0.45 114.58 119.83 3kas h GLU 592 Ca -0.01 -0.45 -0.01 0.00 -0.13 0.00 0.00 59.36 58.76 3kas h GLU 592 Cb 1.11 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.54 3kas h GLU 592 CO 0.08 1.07 -0.06 -0.39 -0.73 0.00 0.00 179.01 178.99 3kas h VAL 593 N 0.46 0.96 -0.54 0.32 -1.51 -1.44 0.23 116.25 114.73 3kas h VAL 593 Ca 0.02 -0.39 0.06 0.00 -1.23 0.00 0.00 66.70 65.15 3kas h VAL 593 Cb 1.03 1.21 -0.05 0.00 -2.13 0.00 0.00 31.29 31.35 3kas h VAL 593 CO 0.10 0.09 0.25 0.00 -1.23 0.00 0.00 177.57 176.78 3kas h ALA 594 N 0.48 0.70 -0.39 5.19 0.00 -1.45 0.07 119.26 123.86 3kas h ALA 594 Ca -0.02 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3kas h ALA 594 Cb 0.29 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3kas h ALA 594 CO 0.03 -0.11 0.25 0.78 0.00 0.00 0.00 179.25 180.20 3kas h GLY 595 N 0.48 0.55 0.96 0.00 0.00 0.07 -0.66 103.07 104.46 3kas h GLY 595 Ca 0.25 -0.21 -0.03 0.00 0.00 0.00 0.00 47.33 47.34 3kas h GLY 595 CO -0.20 0.20 0.18 1.46 0.00 0.00 0.00 176.54 178.18 3kas h GLN 596 N 0.52 0.72 -0.56 4.80 4.20 -0.14 0.74 115.11 125.40 3kas h GLN 596 Ca 0.14 -0.14 0.09 0.00 0.06 0.00 0.00 58.65 58.80 3kas h GLN 596 Cb -0.05 -0.11 -0.11 0.00 0.30 0.00 0.00 27.48 27.51 3kas h GLN 596 CO -0.03 0.66 -0.42 0.74 -0.67 0.00 0.00 178.83 179.11 3kas h PHE 597 N 0.63 -1.23 -0.31 2.96 0.04 -0.73 -0.28 116.94 118.02 3kas h PHE 597 Ca 0.16 0.08 -0.08 0.00 2.80 0.00 0.00 57.97 60.93 3kas h PHE 597 Cb 0.21 0.62 -0.02 0.00 2.20 0.00 0.00 35.95 38.96 3kas h PHE 597 CO 0.01 -0.42 -0.13 0.28 -0.60 0.00 0.00 178.31 177.45 3kas h VAL 598 N -0.23 1.24 0.26 -0.55 2.07 -0.38 -1.30 116.25 117.35 3kas h VAL 598 Ca 0.18 -1.06 -0.01 0.00 0.82 0.00 0.00 66.70 66.63 3kas h VAL 598 Cb 0.56 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.48 3kas h VAL 598 CO -0.67 0.35 -0.13 0.40 0.02 0.00 0.00 177.57 177.54 3kas h ILE 599 N 0.49 0.55 -0.78 4.57 2.04 -0.40 -2.75 117.51 121.23 3kas h ILE 599 Ca 0.09 -0.89 0.17 0.00 1.00 0.00 0.00 64.86 65.22 3kas h ILE 599 Cb 0.52 0.90 -0.14 0.00 -0.74 0.00 0.00 36.82 37.36 3kas h ILE 599 CO 0.03 0.13 -0.12 0.11 0.00 0.00 0.00 178.15 178.31 3kas h LYS 600 N -0.94 0.03 -0.01 2.37 1.79 -0.96 0.11 116.57 118.96 3kas h LYS 600 Ca -0.04 -0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.39 3kas h LYS 600 Cb 0.49 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.13 3kas h LYS 600 CO 0.06 0.02 -0.21 -0.07 -1.08 0.00 0.00 179.45 178.17 3kas h LEU 601 N 0.03 0.01 -2.36 2.94 3.38 -1.26 -2.46 115.31 115.59 3kas h LEU 601 Ca 0.39 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.36 3kas h LEU 601 Cb 0.65 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 3kas h LEU 601 CO -0.76 0.22 0.00 0.35 0.09 0.00 0.00 178.44 178.34 3kas n THR 602 N -4.28 0.62 -0.06 0.22 -2.24 -0.35 -4.66 114.28 103.52 3kas n THR 602 Ca -0.02 -0.81 -0.13 0.00 -2.27 0.00 0.00 64.05 60.82 3kas n THR 602 Cb 0.27 0.81 -0.04 0.00 -2.10 0.00 0.00 70.33 69.27 3kas n THR 602 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 3kas n HIS 603 N 0.84 0.00 -1.73 4.78 -0.00 0.23 0.35 115.22 119.68 3kas n HIS 603 Ca 0.13 0.00 -0.39 0.00 -0.00 0.00 0.00 57.72 57.46 3kas n HIS 603 Cb 0.44 -0.46 0.04 0.00 -0.00 0.00 0.00 29.99 30.01 3kas n HIS 603 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 3kas n ASP 604 N -3.77 2.59 0.09 0.26 8.00 -0.96 -4.84 116.55 117.91 3kas n ASP 604 Ca -0.23 0.98 -0.06 0.00 0.71 0.00 0.00 54.79 56.18 3kas n ASP 604 Cb 0.59 -1.56 0.04 0.00 -0.02 0.00 0.00 41.12 40.17 3kas n ASP 604 CO 0.00 0.00 0.00 -0.37 -0.39 0.00 0.00 177.20 176.44 3kas h VAL 605 N 1.42 1.48 -3.94 2.53 -1.51 -1.94 -3.42 116.25 110.87 3kas h VAL 605 Ca -0.50 -2.46 -0.49 0.00 -1.23 0.00 0.00 66.70 62.02 3kas h VAL 605 Cb 1.31 2.34 0.03 0.00 -2.13 0.00 0.00 31.29 32.83 3kas h VAL 605 CO 0.57 0.71 0.25 -1.61 -1.23 0.00 0.00 177.57 176.26 3kas s GLU 606 N -3.36 3.71 0.08 5.19 2.02 -1.26 -4.96 118.70 120.12 3kas s GLU 606 Ca -0.02 0.57 -0.28 0.00 0.02 0.00 0.00 54.97 55.26 3kas s GLU 606 Cb 0.11 -2.25 -0.06 0.00 0.10 0.00 0.00 34.13 32.03 3kas s GLU 606 CO 0.81 -0.27 0.90 -0.51 0.02 0.00 0.00 175.26 176.21 3kas s LEU 607 N -4.46 4.48 0.00 1.80 1.43 -1.26 -4.93 118.68 115.73 3kas s LEU 607 Ca 0.53 1.67 -0.05 0.00 -1.03 0.00 0.00 54.13 55.25 3kas s LEU 607 Cb -0.10 -3.47 -0.22 0.00 0.03 0.00 0.00 46.19 42.43 3kas s LEU 607 CO 0.41 -0.05 3.19 0.59 0.23 0.00 0.00 176.35 180.72 3kas n ASN 608 N 2.83 4.88 -4.33 2.29 4.13 -1.26 -4.74 115.26 119.06 3kas n ASN 608 Ca 0.01 -2.40 -0.37 0.00 1.68 0.00 0.00 54.58 53.51 3kas n ASN 608 Cb 0.50 -1.28 -0.13 0.00 -1.54 0.00 0.00 39.78 37.33 3kas n ASN 608 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3kas s LEU 609 N 0.00 3.63 -1.07 3.41 1.43 -1.26 -4.61 118.68 120.21 3kas s LEU 609 Ca 0.53 -0.66 -0.16 0.00 -1.03 0.00 0.00 54.13 52.81 3kas s LEU 609 Cb 0.25 -1.84 0.15 0.00 0.03 0.00 0.00 46.19 44.79 3kas s LEU 609 CO 0.00 -0.15 1.28 -0.62 0.23 0.00 0.00 176.35 177.09 3kas s ASP 610 N 1.48 6.86 0.48 2.29 -1.08 0.56 -4.83 116.67 122.43 3kas s ASP 610 Ca 0.03 -2.54 0.22 0.00 -0.52 0.00 0.00 52.55 49.74 3kas s ASP 610 Cb -0.17 -2.40 1.24 0.00 -1.46 0.00 0.00 42.92 40.14 3kas s ASP 610 CO 0.01 -0.90 2.02 0.10 0.52 0.00 0.00 175.17 176.92 3kas h TYR 611 N 7.96 0.00 -0.08 -5.34 -0.00 -1.92 -1.97 116.97 115.63 3kas h TYR 611 Ca 0.24 0.00 0.02 0.00 0.00 0.00 0.00 58.73 58.99 3kas h TYR 611 Cb 0.95 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.67 3kas h TYR 611 CO 1.13 0.16 0.11 0.93 -0.00 0.00 0.00 178.16 180.50 3kas h GLU 612 N 0.00 0.00 -0.47 0.10 5.08 -1.94 -2.70 114.58 114.65 3kas h GLU 612 Ca -0.00 0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.47 3kas h GLU 612 Cb 0.37 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 3kas h GLU 612 CO 0.02 0.00 0.33 0.00 -1.00 0.00 0.00 179.01 178.36 3kas h ARG 613 N 0.00 0.11 0.00 2.33 2.47 -1.66 -1.05 114.38 116.58 3kas h ARG 613 Ca 0.04 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.75 3kas h ARG 613 Cb 0.26 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.55 3kas h ARG 613 CO -0.00 0.07 0.00 0.66 0.56 0.00 0.00 179.97 181.26 3kas n TYR 614 N -4.43 0.00 -0.09 3.04 4.02 -1.02 -2.19 117.16 116.50 3kas n TYR 614 Ca 0.08 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.86 3kas n TYR 614 Cb 0.47 -0.47 -0.04 0.00 -0.02 0.00 0.00 39.34 39.28 3kas n TYR 614 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 176.86 174.94 3kas h ASN 615 N 0.00 0.42 -0.59 7.72 2.35 -1.39 -1.41 115.58 122.69 3kas h ASN 615 Ca 0.00 -0.28 0.03 0.00 -0.55 0.00 0.00 56.30 55.50 3kas h ASN 615 Cb 0.34 -0.11 -0.04 0.00 0.05 0.00 0.00 38.32 38.55 3kas h ASN 615 CO 0.00 0.59 0.35 0.28 -1.65 0.00 0.00 177.43 177.01 3kas h SER 616 N 0.24 0.57 0.01 5.81 0.02 -1.58 0.13 113.55 118.75 3kas h SER 616 Ca 0.08 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 3kas h SER 616 Cb 0.36 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 3kas h SER 616 CO 0.01 0.40 -0.03 1.56 -1.14 0.00 0.00 176.83 177.62 3kas h GLN 617 N 0.70 -0.06 -0.61 3.45 1.08 -1.49 0.31 115.11 118.49 3kas h GLN 617 Ca 0.24 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.42 3kas h GLN 617 Cb 0.03 0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.45 3kas h GLN 617 CO -0.11 -0.04 0.31 -0.07 -0.95 0.00 0.00 178.83 177.97 3kas h LEU 618 N -0.07 0.78 0.35 1.46 3.38 -1.05 -0.83 115.31 119.34 3kas h LEU 618 Ca 0.01 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 3kas h LEU 618 Cb 0.08 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 3kas h LEU 618 CO -0.03 0.68 -0.33 0.25 0.09 0.00 0.00 178.44 179.11 3kas h LEU 619 N 0.83 -0.87 -0.94 1.67 5.85 -0.49 0.32 115.31 121.67 3kas h LEU 619 Ca 0.21 0.07 0.20 0.00 0.84 0.00 0.00 57.88 59.20 3kas h LEU 619 Cb 0.09 0.29 -0.11 0.00 0.37 0.00 0.00 40.66 41.30 3kas h LEU 619 CO -0.03 -0.47 0.51 -1.28 -0.34 0.00 0.00 178.44 176.83 3kas h SER 620 N -0.70 0.59 0.00 1.25 0.87 -0.22 0.46 113.55 115.80 3kas h SER 620 Ca -0.02 0.12 -0.00 0.00 -1.23 0.00 0.00 61.79 60.65 3kas h SER 620 Cb 0.62 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.61 3kas h SER 620 CO -0.05 0.16 -0.00 0.15 -0.53 0.00 0.00 176.83 176.56 3kas h PHE 621 N 0.60 -0.01 -0.90 2.24 3.57 -0.60 -1.91 116.94 119.94 3kas h PHE 621 Ca 0.56 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 62.05 3kas h PHE 621 Cb 0.95 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.65 3kas h PHE 621 CO -0.06 0.57 0.54 0.28 -2.23 0.00 0.00 178.31 177.41 3kas h VAL 622 N -0.58 1.25 -1.01 1.41 2.07 -0.72 -0.36 116.25 118.31 3kas h VAL 622 Ca -0.00 -0.54 0.09 0.00 0.82 0.00 0.00 66.70 67.07 3kas h VAL 622 Cb 0.58 -0.01 -0.08 0.00 -1.52 0.00 0.00 31.29 30.26 3kas h VAL 622 CO 0.00 0.26 0.64 -0.09 0.02 0.00 0.00 177.57 178.40 3kas h ARG 623 N 1.24 1.05 -0.10 1.57 2.43 -0.00 0.42 114.38 120.99 3kas h ARG 623 Ca 0.32 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.40 3kas h ARG 623 Cb -0.05 -0.24 -0.00 0.00 -0.42 0.00 0.00 29.97 29.26 3kas h ARG 623 CO -0.06 0.70 -0.05 -0.44 -1.51 0.00 0.00 179.97 178.61 3kas h ASP 624 N 1.09 0.22 -0.95 -3.80 5.19 -0.77 -3.23 116.42 114.16 3kas h ASP 624 Ca 0.47 -0.41 0.00 0.00 -0.62 0.00 0.00 57.03 56.47 3kas h ASP 624 Cb 0.33 -0.06 -0.05 0.00 0.18 0.00 0.00 39.33 39.73 3kas h ASP 624 CO -0.22 0.59 0.60 0.25 -3.12 0.00 0.00 179.24 177.33 3kas h LEU 625 N -0.14 1.12 0.00 1.55 5.85 0.15 -1.04 115.31 122.80 3kas h LEU 625 Ca 0.02 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.69 3kas h LEU 625 Cb 0.50 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.25 3kas h LEU 625 CO 0.02 0.84 0.00 0.59 -0.34 0.00 0.00 178.44 179.54 3kas n ASN 626 N -4.37 0.00 -0.28 1.25 5.03 0.14 -1.67 115.26 115.37 3kas n ASN 626 Ca 0.11 0.46 0.00 0.00 0.87 0.00 0.00 54.58 56.02 3kas n ASN 626 Cb 0.04 -0.46 0.00 0.00 -1.02 0.00 0.00 39.78 38.34 3kas n ASN 626 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3kas n GLN 627 N -1.46 0.90 -0.86 3.52 6.02 -0.39 -2.95 117.38 122.16 3kas n GLN 627 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 57.00 57.00 3kas n GLN 627 Cb 0.00 -1.25 0.00 0.00 1.02 0.00 0.00 30.24 30.02 3kas n GLN 627 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3kas n TYR 628 N -0.19 0.00 0.02 1.08 4.02 -0.67 -4.87 117.16 116.54 3kas n TYR 628 Ca 0.00 -0.19 0.01 0.00 -0.01 0.00 0.00 57.90 57.71 3kas n TYR 628 Cb 0.12 -0.05 0.07 0.00 -0.02 0.00 0.00 39.34 39.47 3kas n TYR 628 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 3kas n ARG 629 N 0.17 0.02 -0.08 -0.72 1.74 -1.15 -1.16 116.66 115.47 3kas n ARG 629 Ca 0.01 0.51 -0.16 0.00 -0.77 0.00 0.00 57.85 57.44 3kas n ARG 629 Cb 0.84 -1.56 -0.11 0.00 -1.02 0.00 0.00 32.46 30.62 3kas n ARG 629 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kas h ALA 630 N 1.97 0.12 0.00 7.54 0.00 -1.89 -3.30 119.26 123.70 3kas h ALA 630 Ca 0.00 -0.79 -0.00 0.00 0.00 0.00 0.00 54.91 54.11 3kas h ALA 630 Cb 0.01 0.38 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 3kas h ALA 630 CO 0.00 0.36 -0.02 -0.44 0.00 0.00 0.00 179.25 179.15 3kas h ASP 631 N -1.00 0.00 1.68 0.00 3.45 -1.52 -0.32 116.42 118.71 3kas h ASP 631 Ca -0.16 0.00 -0.04 0.00 0.43 0.00 0.00 57.03 57.26 3kas h ASP 631 Cb 1.03 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.79 3kas h ASP 631 CO -0.10 0.02 -0.20 0.40 -1.57 0.00 0.00 179.24 177.79 3kas h ILE 632 N 0.00 0.36 0.09 0.35 1.08 -1.51 -3.21 117.51 114.67 3kas h ILE 632 Ca -0.00 -1.43 -0.00 0.00 -0.39 0.00 0.00 64.86 63.03 3kas h ILE 632 Cb 0.20 2.11 0.00 0.00 -3.07 0.00 0.00 36.82 36.06 3kas h ILE 632 CO 0.00 0.20 -0.04 0.11 -0.69 0.00 0.00 178.15 177.73 3kas h LYS 633 N 0.00 -0.12 0.00 2.37 1.79 -1.14 -2.01 116.57 117.46 3kas h LYS 633 Ca -0.00 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 3kas h LYS 633 Cb 1.10 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.78 3kas h LYS 633 CO 0.03 0.36 0.00 0.39 -1.08 0.00 0.00 179.45 179.15 3kas n GLU 634 N -4.90 0.20 0.00 3.15 1.02 -1.03 -0.66 120.64 118.42 3kas n GLU 634 Ca -0.08 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.06 3kas n GLU 634 Cb 0.27 -1.26 0.00 0.00 -0.02 0.00 0.00 31.44 30.44 3kas n GLU 634 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 3kas n MET 635 N -0.76 -0.40 -1.05 3.49 2.81 -1.23 -5.00 117.12 114.98 3kas n MET 635 Ca 0.02 -0.56 -0.02 0.00 -1.81 0.00 0.00 57.70 55.34 3kas n MET 635 Cb 0.01 -0.93 -0.01 0.00 -0.71 0.00 0.00 33.22 31.58 3kas n MET 635 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3kas n GLY 636 N -0.06 0.54 3.80 3.03 0.00 0.16 -5.02 105.19 107.64 3kas n GLY 636 Ca 0.00 -0.53 -0.36 0.00 0.00 0.00 0.00 46.02 45.13 3kas n GLY 636 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kas s LEU 637 N -0.42 4.05 0.00 0.99 1.43 -0.76 -5.05 118.68 118.93 3kas s LEU 637 Ca 0.00 0.33 -0.01 0.00 -1.03 0.00 0.00 54.13 53.42 3kas s LEU 637 Cb 0.00 -1.96 -0.04 0.00 0.03 0.00 0.00 46.19 44.22 3kas s LEU 637 CO 0.00 0.40 0.14 -0.55 0.23 0.00 0.00 176.35 176.57 3kas s SER 638 N -0.97 6.05 -0.08 2.29 0.15 -1.26 -4.33 113.70 115.55 3kas s SER 638 Ca 0.14 0.24 0.19 0.00 0.70 0.00 0.00 55.95 57.22 3kas s SER 638 Cb -0.12 -1.82 0.69 0.00 -1.71 0.00 0.00 66.02 63.06 3kas s SER 638 CO 0.03 0.25 1.60 0.18 1.20 0.00 0.00 173.24 176.50 3kas n LEU 639 N 0.95 4.51 -0.25 3.45 4.77 -1.26 -4.63 117.00 124.53 3kas n LEU 639 Ca -0.11 -2.34 -0.07 0.00 -0.03 0.00 0.00 56.01 53.46 3kas n LEU 639 Cb 0.52 -0.55 0.05 0.00 -2.33 0.00 0.00 43.42 41.11 3kas n LEU 639 CO 0.42 0.85 1.01 -0.61 -1.33 0.00 0.00 177.39 177.74 3kas h GLN 640 N 4.02 1.05 0.00 3.23 5.75 -2.00 -1.38 115.11 125.78 3kas h GLN 640 Ca 0.00 -0.20 -0.06 0.00 -0.15 0.00 0.00 58.65 58.24 3kas h GLN 640 Cb 1.32 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 29.70 3kas h GLN 640 CO 0.17 0.88 -0.31 -1.49 -2.65 0.00 0.00 178.83 175.43 3kas h TRP 641 N 1.00 0.00 -0.07 3.99 4.06 -1.99 -1.63 115.95 121.31 3kas h TRP 641 Ca 0.23 0.00 -0.23 0.00 2.06 0.00 0.00 58.89 60.95 3kas h TRP 641 Cb 0.23 0.00 0.02 0.00 -1.00 0.00 0.00 29.16 28.40 3kas h TRP 641 CO 0.02 0.31 -0.87 1.25 -3.56 0.00 0.00 178.44 175.59 3kas h LEU 642 N 0.00 0.88 -0.72 -4.49 5.85 -1.72 -1.94 115.31 113.16 3kas h LEU 642 Ca -0.00 -0.69 0.01 0.00 0.84 0.00 0.00 57.88 58.03 3kas h LEU 642 Cb 0.67 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.40 3kas h LEU 642 CO 0.04 1.44 0.47 1.88 -0.34 0.00 0.00 178.44 181.93 3kas h TYR 643 N 0.39 0.91 -0.51 1.25 0.99 -1.01 -1.43 116.97 117.55 3kas h TYR 643 Ca -0.09 0.02 -0.04 0.00 2.00 0.00 0.00 58.73 60.61 3kas h TYR 643 Cb 1.52 -0.31 -0.02 0.00 1.00 0.00 0.00 36.73 38.92 3kas h TYR 643 CO 0.10 0.58 0.14 1.03 -0.00 0.00 0.00 178.16 180.01 3kas h SER 644 N 0.97 0.71 -0.03 3.88 0.87 -1.28 0.43 113.55 119.11 3kas h SER 644 Ca 0.26 -0.11 -0.00 0.00 -1.23 0.00 0.00 61.79 60.71 3kas h SER 644 Cb -0.10 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 61.67 3kas h SER 644 CO -0.06 0.69 0.01 0.00 -0.53 0.00 0.00 176.83 176.95 3kas h ALA 645 N 1.41 0.04 -0.44 6.23 0.00 -0.82 0.01 119.26 125.68 3kas h ALA 645 Ca 0.17 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.07 3kas h ALA 645 Cb 0.25 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 3kas h ALA 645 CO -0.01 -0.41 0.18 -0.09 0.00 0.00 0.00 179.25 178.93 3kas h ARG 646 N -0.06 0.35 -0.41 0.00 2.43 -0.76 0.12 114.38 116.04 3kas h ARG 646 Ca 0.01 -0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.21 3kas h ARG 646 Cb 0.11 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.54 3kas h ARG 646 CO -0.00 0.23 0.15 0.78 -1.51 0.00 0.00 179.97 179.63 3kas h GLY 647 N 0.36 0.54 1.50 2.80 0.00 -0.80 -1.58 103.07 105.89 3kas h GLY 647 Ca 0.20 -0.09 -0.02 0.00 0.00 0.00 0.00 47.33 47.42 3kas h GLY 647 CO -0.18 0.03 0.20 -0.55 0.00 0.00 0.00 176.54 176.04 3kas h ASP 648 N 0.32 0.59 -0.39 0.19 5.19 -0.38 -0.34 116.42 121.60 3kas h ASP 648 Ca 0.19 -0.06 -0.09 0.00 -0.62 0.00 0.00 57.03 56.46 3kas h ASP 648 Cb 0.17 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 39.51 3kas h ASP 648 CO -0.19 0.52 -0.09 0.15 -3.12 0.00 0.00 179.24 176.52 3kas h PHE 649 N 0.65 0.84 -0.18 4.55 3.57 -0.61 -0.49 116.94 125.27 3kas h PHE 649 Ca 0.16 -0.18 0.04 0.00 3.53 0.00 0.00 57.97 61.52 3kas h PHE 649 Cb 0.11 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 38.61 3kas h PHE 649 CO 0.01 0.88 -0.04 0.35 -2.23 0.00 0.00 178.31 177.27 3kas h PHE 650 N 0.56 -0.09 -0.68 0.41 3.57 -0.52 0.50 116.94 120.68 3kas h PHE 650 Ca 0.10 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.70 3kas h PHE 650 Cb 0.61 0.07 -0.07 0.00 2.79 0.00 0.00 35.95 39.35 3kas h PHE 650 CO 0.05 -0.08 0.33 0.00 -2.23 0.00 0.00 178.31 176.39 3kas h ARG 651 N 0.00 0.56 -0.52 1.11 3.08 -1.04 -0.95 114.38 116.63 3kas h ARG 651 Ca 0.09 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.06 3kas h ARG 651 Cb 0.13 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 3kas h ARG 651 CO -0.19 0.37 0.16 0.00 -1.07 0.00 0.00 179.97 179.25 3kas h ALA 652 N 1.41 0.69 -0.53 0.04 0.00 0.11 -0.66 119.26 120.33 3kas h ALA 652 Ca 0.33 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 3kas h ALA 652 Cb 0.33 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3kas h ALA 652 CO -0.26 0.34 0.02 1.79 0.00 0.00 0.00 179.25 181.15 3kas h THR 653 N 0.72 1.26 -0.69 0.00 1.35 -0.63 -2.14 112.91 112.78 3kas h THR 653 Ca 0.17 -1.06 0.03 0.00 -0.55 0.00 0.00 66.41 64.99 3kas h THR 653 Cb 0.27 0.91 -0.04 0.00 -1.73 0.00 0.00 68.15 67.56 3kas h THR 653 CO -0.01 0.38 0.44 0.28 -0.25 0.00 0.00 175.52 176.36 3kas h SER 654 N 0.79 0.73 -0.76 5.36 0.02 -0.78 -0.07 113.55 118.84 3kas h SER 654 Ca 0.15 -0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.05 3kas h SER 654 Cb 0.50 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.84 3kas h SER 654 CO 0.02 0.51 0.29 -0.09 -1.14 0.00 0.00 176.83 176.42 3kas h ARG 655 N 0.86 1.15 -0.41 3.45 2.43 -1.05 -2.05 114.38 118.76 3kas h ARG 655 Ca 0.27 -0.21 -0.11 0.00 -0.81 0.00 0.00 59.98 59.12 3kas h ARG 655 Cb -0.00 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.35 3kas h ARG 655 CO -0.10 0.94 -0.20 1.25 -1.51 0.00 0.00 179.97 180.36 3kas h LEU 656 N 1.12 0.80 -0.37 3.80 5.85 -0.59 0.04 115.31 125.96 3kas h LEU 656 Ca 0.25 -0.28 -0.06 0.00 0.84 0.00 0.00 57.88 58.64 3kas h LEU 656 Cb 0.23 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 3kas h LEU 656 CO -0.02 0.98 0.01 0.74 -0.34 0.00 0.00 178.44 179.81 3kas h THR 657 N 0.70 1.26 -0.30 1.05 2.02 -0.85 -1.24 112.91 115.55 3kas h THR 657 Ca 0.10 -0.98 0.04 0.00 0.77 0.00 0.00 66.41 66.35 3kas h THR 657 Cb 0.71 1.17 -0.04 0.00 -1.74 0.00 0.00 68.15 68.24 3kas h THR 657 CO 0.05 0.33 0.08 0.74 0.37 0.00 0.00 175.52 177.08 3kas h THR 658 N 0.46 0.87 -0.70 3.16 2.02 -1.11 -1.09 112.91 116.52 3kas h THR 658 Ca 0.10 -0.07 0.06 0.00 0.77 0.00 0.00 66.41 67.28 3kas h THR 658 Cb 0.45 0.67 -0.06 0.00 -1.74 0.00 0.00 68.15 67.47 3kas h THR 658 CO 0.02 0.04 0.40 0.44 0.37 0.00 0.00 175.52 176.79 3kas h ASP 659 N 0.19 0.61 -0.19 4.18 5.19 -0.81 -0.04 116.42 125.54 3kas h ASP 659 Ca 0.14 0.03 0.01 0.00 -0.62 0.00 0.00 57.03 56.58 3kas h ASP 659 Cb 0.14 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 39.54 3kas h ASP 659 CO -0.17 0.39 0.11 -0.26 -3.12 0.00 0.00 179.24 176.19 3kas h PHE 660 N 0.74 0.21 -0.94 4.55 -1.00 -0.78 -1.21 116.94 118.51 3kas h PHE 660 Ca 0.31 0.01 0.05 0.00 2.81 0.00 0.00 57.97 61.15 3kas h PHE 660 Cb 0.18 -0.07 -0.06 0.00 3.61 0.00 0.00 35.95 39.62 3kas h PHE 660 CO -0.07 0.13 0.61 0.78 -1.61 0.00 0.00 178.31 178.15 3kas h GLY 661 N 0.24 1.39 1.16 -1.45 0.00 -0.62 -2.21 103.07 101.58 3kas h GLY 661 Ca 0.07 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 46.95 3kas h GLY 661 CO -0.03 0.36 -0.07 0.70 0.00 0.00 0.00 176.54 177.50 3kas n ASN 662 N -4.51 0.27 -4.83 0.19 3.02 -0.08 -4.86 115.26 104.45 3kas n ASN 662 Ca 0.13 -0.42 -0.33 0.00 -0.03 0.00 0.00 54.58 53.93 3kas n ASN 662 Cb 0.12 -0.15 -0.06 0.00 -0.61 0.00 0.00 39.78 39.08 3kas n ASN 662 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kas s ALA 663 N -2.50 3.17 -0.54 5.41 0.00 -0.48 -5.01 121.76 121.81 3kas s ALA 663 Ca 0.29 0.22 -0.25 0.00 0.00 0.00 0.00 51.96 52.22 3kas s ALA 663 Cb 0.20 -2.97 0.04 0.00 0.00 0.00 0.00 23.12 20.39 3kas s ALA 663 CO 0.47 0.21 1.00 -1.21 0.00 0.00 0.00 175.76 176.23 3kas s GLU 664 N -3.12 3.41 0.33 0.00 8.01 -1.26 -4.90 118.70 121.17 3kas s GLU 664 Ca 0.58 -0.08 0.17 0.00 0.01 0.00 0.00 54.97 55.66 3kas s GLU 664 Cb -0.10 -4.02 0.95 0.00 -4.31 0.00 0.00 34.13 26.65 3kas s GLU 664 CO 0.16 -1.49 1.48 1.63 0.01 0.00 0.00 175.26 177.04 3kas n LYS 665 N 7.65 0.12 -0.01 1.61 4.76 -1.26 -0.11 118.16 130.91 3kas n LYS 665 Ca 0.04 0.61 0.13 0.00 -2.87 0.00 0.00 58.31 56.21 3kas n LYS 665 Cb 0.48 -2.05 0.26 0.00 -1.84 0.00 0.00 35.03 31.88 3kas n LYS 665 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 3kas n THR 666 N -2.17 0.02 -3.26 -0.18 -2.24 -1.26 -4.75 114.28 100.44 3kas n THR 666 Ca -0.01 -0.42 -0.46 0.00 -2.27 0.00 0.00 64.05 60.89 3kas n THR 666 Cb 0.20 1.10 -0.03 0.00 -2.10 0.00 0.00 70.33 69.50 3kas n THR 666 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3kas s ASP 667 N -1.98 6.48 0.42 3.42 2.15 0.84 -4.91 116.67 123.08 3kas s ASP 667 Ca 0.32 -2.16 0.29 0.00 0.43 0.00 0.00 52.55 51.43 3kas s ASP 667 Cb 0.20 -2.24 1.40 0.00 -0.30 0.00 0.00 42.92 41.99 3kas s ASP 667 CO 0.31 -0.78 1.88 0.08 -0.17 0.00 0.00 175.17 176.49 3kas h ARG 668 N 8.44 0.00 -0.02 4.34 0.11 -1.85 -1.99 114.38 123.41 3kas h ARG 668 Ca -0.09 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.97 3kas h ARG 668 Cb 1.07 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.15 3kas h ARG 668 CO 0.93 0.00 -0.09 0.35 0.10 0.00 0.00 179.97 181.26 3kas h PHE 669 N 0.00 0.12 -0.49 4.08 3.57 -1.96 -1.03 116.94 121.23 3kas h PHE 669 Ca 0.00 -0.05 -0.12 0.00 3.53 0.00 0.00 57.97 61.32 3kas h PHE 669 Cb 0.22 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 3kas h PHE 669 CO 0.00 0.74 -0.18 -0.24 -2.23 0.00 0.00 178.31 176.40 3kas h VAL 670 N -0.54 1.27 -0.35 1.41 3.04 -1.79 -2.30 116.25 117.00 3kas h VAL 670 Ca -0.01 -1.34 -0.03 0.00 -1.01 0.00 0.00 66.70 64.32 3kas h VAL 670 Cb 0.75 1.08 -0.01 0.00 -2.01 0.00 0.00 31.29 31.10 3kas h VAL 670 CO 0.02 0.46 0.11 0.24 -1.01 0.00 0.00 177.57 177.40 3kas h MET 671 N 0.86 0.53 -0.46 4.17 2.86 -1.47 -0.99 114.93 120.43 3kas h MET 671 Ca 0.12 -0.11 0.09 0.00 -2.06 0.00 0.00 59.70 57.74 3kas h MET 671 Cb 0.75 -0.08 -0.10 0.00 0.06 0.00 0.00 31.60 32.24 3kas h MET 671 CO 0.06 0.55 -0.20 -0.22 1.06 0.00 0.00 176.91 178.16 3kas h LYS 672 N 0.41 -0.10 -0.51 1.72 1.63 -1.09 0.86 116.57 119.48 3kas h LYS 672 Ca 0.11 0.01 0.02 0.00 -0.85 0.00 0.00 60.65 59.94 3kas h LYS 672 Cb 0.24 0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 31.86 3kas h LYS 672 CO -0.00 -0.07 0.32 -0.22 -3.45 0.00 0.00 179.45 176.03 3kas h LYS 673 N -0.10 0.62 -0.27 1.90 3.11 -1.17 0.17 116.57 120.84 3kas h LYS 673 Ca 0.22 -0.04 -0.16 0.00 -2.81 0.00 0.00 60.65 57.87 3kas h LYS 673 Cb 0.44 -0.14 -0.00 0.00 -1.00 0.00 0.00 32.23 31.53 3kas h LYS 673 CO -0.53 0.41 -0.44 -0.07 -2.81 0.00 0.00 179.45 176.02 3kas h LEU 674 N 0.64 0.85 -0.88 5.20 3.38 -0.53 -2.86 115.31 121.12 3kas h LEU 674 Ca 0.20 -0.52 -0.06 0.00 0.09 0.00 0.00 57.88 57.59 3kas h LEU 674 Cb -0.02 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 3kas h LEU 674 CO -0.07 1.21 0.20 0.78 0.09 0.00 0.00 178.44 180.64 3kas h ASN 675 N 0.52 0.96 -0.61 -0.43 2.35 0.10 -2.36 115.58 116.11 3kas h ASN 675 Ca 0.02 -0.18 -0.01 0.00 -0.55 0.00 0.00 56.30 55.58 3kas h ASN 675 Cb 1.04 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 39.13 3kas h ASN 675 CO 0.10 0.90 0.34 0.44 -1.65 0.00 0.00 177.43 177.56 3kas h ASP 676 N 0.99 0.78 -0.73 5.81 5.19 -0.65 0.09 116.42 127.89 3kas h ASP 676 Ca 0.22 -0.06 -0.04 0.00 -0.62 0.00 0.00 57.03 56.52 3kas h ASP 676 Cb 0.30 -0.20 -0.03 0.00 0.18 0.00 0.00 39.33 39.58 3kas h ASP 676 CO -0.01 0.63 0.28 0.03 -3.12 0.00 0.00 179.24 177.06 3kas h ARG 677 N 0.88 1.11 -0.37 3.56 3.08 -1.22 -2.71 114.38 118.71 3kas h ARG 677 Ca 0.22 -0.21 -0.09 0.00 0.07 0.00 0.00 59.98 59.97 3kas h ARG 677 Cb 0.03 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 29.89 3kas h ARG 677 CO -0.04 0.91 -0.16 0.28 -1.07 0.00 0.00 179.97 179.89 3kas h VAL 678 N 1.06 1.26 0.00 2.04 2.07 -0.79 -2.74 116.25 119.14 3kas h VAL 678 Ca 0.24 -1.20 0.00 0.00 0.82 0.00 0.00 66.70 66.56 3kas h VAL 678 Cb 0.23 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 3kas h VAL 678 CO -0.02 0.40 0.00 0.80 0.02 0.00 0.00 177.57 178.77 3kas n MET 679 N -4.15 0.12 -0.00 1.57 1.56 -0.08 -2.61 117.12 113.53 3kas n MET 679 Ca 0.01 0.45 0.07 0.00 -0.27 0.00 0.00 57.70 57.96 3kas n MET 679 Cb 0.38 -1.78 -0.09 0.00 2.15 0.00 0.00 33.22 33.88 3kas n MET 679 CO 0.00 0.00 0.00 0.54 -0.73 0.00 0.00 175.97 175.78 3kas n ARG 680 N -2.01 1.61 0.04 2.12 1.74 -1.04 -4.53 116.66 114.59 3kas n ARG 680 Ca 0.01 -0.04 -0.14 0.00 -0.77 0.00 0.00 57.85 56.92 3kas n ARG 680 Cb 0.14 -1.25 -0.09 0.00 -1.02 0.00 0.00 32.46 30.24 3kas n ARG 680 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3kas h VAL 681 N 0.00 0.00 -0.37 1.55 2.07 -1.47 -2.21 116.25 115.82 3kas h VAL 681 Ca 0.00 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.60 3kas h VAL 681 Cb 0.45 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.14 3kas h VAL 681 CO 0.00 0.00 -0.15 -0.08 0.02 0.00 0.00 177.57 177.36 3kas h GLU 682 N -0.59 -0.07 -0.27 1.57 4.57 -1.80 -1.67 114.58 116.32 3kas h GLU 682 Ca 0.01 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.19 3kas h GLU 682 Cb 0.64 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.23 3kas h GLU 682 CO -0.32 -0.05 0.13 -0.92 -1.18 0.00 0.00 179.01 176.67 3kas h TYR 683 N -0.07 0.35 0.00 0.92 3.20 -1.46 -1.66 116.97 118.25 3kas h TYR 683 Ca 0.19 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.05 3kas h TYR 683 Cb 0.36 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.51 3kas h TYR 683 CO -0.38 0.27 0.00 0.72 -1.64 0.00 0.00 178.16 177.12 3kas n HIS 684 N -4.45 0.00 0.90 -3.82 8.25 -0.63 -1.00 115.22 114.48 3kas n HIS 684 Ca 0.01 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.57 3kas n HIS 684 Cb 0.11 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.25 3kas n HIS 684 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3kas n PHE 685 N -0.84 0.00 -2.26 4.41 0.99 -0.62 -4.47 117.46 114.68 3kas n PHE 685 Ca 0.11 0.00 -0.42 0.00 -0.00 0.00 0.00 57.45 57.14 3kas n PHE 685 Cb 0.05 0.00 -0.03 0.00 -1.00 0.00 0.00 39.48 38.50 3kas n PHE 685 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 3kas s LEU 686 N -2.14 4.32 0.09 4.37 1.43 -0.17 -1.52 118.68 125.07 3kas s LEU 686 Ca 0.20 2.09 -0.31 0.00 -1.03 0.00 0.00 54.13 55.08 3kas s LEU 686 Cb 0.17 -3.56 -0.09 0.00 0.03 0.00 0.00 46.19 42.74 3kas s LEU 686 CO 0.43 -0.68 1.70 -0.55 0.23 0.00 0.00 176.35 177.47 3kas s SER 687 N 1.72 6.55 0.00 2.29 0.15 -0.17 -4.86 113.70 119.38 3kas s SER 687 Ca 0.63 2.57 0.29 0.00 0.70 0.00 0.00 55.95 60.14 3kas s SER 687 Cb -0.31 -2.57 1.36 0.00 -1.71 0.00 0.00 66.02 62.79 3kas s SER 687 CO 0.26 -0.92 1.97 -2.65 1.20 0.00 0.00 173.24 173.11 3kas n PRO 688 N 5.50 0.23 -0.56 5.44 -0.02 -1.26 -3.79 135.00 140.54 3kas n PRO 688 Ca 0.16 0.01 0.09 0.00 -2.02 0.00 0.00 63.50 61.74 3kas n PRO 688 Cb 0.40 -1.50 0.32 0.00 -0.02 0.00 0.00 33.50 32.70 3kas n PRO 688 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3kas n TYR 689 N -1.38 1.32 -4.11 6.00 4.02 -1.26 -4.91 117.16 116.84 3kas n TYR 689 Ca 0.11 -0.66 -0.16 0.00 -0.01 0.00 0.00 57.90 57.19 3kas n TYR 689 Cb 0.28 -0.26 -0.15 0.00 -0.02 0.00 0.00 39.34 39.20 3kas n TYR 689 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 3kas s VAL 690 N -2.00 0.35 0.17 -0.72 -7.23 -1.25 -5.13 120.40 104.58 3kas s VAL 690 Ca 0.46 -0.17 -0.30 0.00 -1.81 0.00 0.00 61.98 60.17 3kas s VAL 690 Cb 0.31 -0.31 -0.08 0.00 0.56 0.00 0.00 36.38 36.87 3kas s VAL 690 CO 0.20 0.11 1.19 -0.55 -0.31 0.00 0.00 175.10 175.74 3kas s SER 691 N 0.03 7.10 0.61 4.85 0.15 -1.26 -4.92 113.70 120.25 3kas s SER 691 Ca 0.00 2.20 0.39 0.00 0.70 0.00 0.00 55.95 59.24 3kas s SER 691 Cb -0.03 -2.60 1.93 0.00 -1.71 0.00 0.00 66.02 63.60 3kas s SER 691 CO -0.00 -0.37 2.18 -0.65 1.20 0.00 0.00 173.24 175.60 3kas h PRO 692 N 5.42 0.00 -0.02 5.44 0.11 -1.92 0.44 132.00 141.47 3kas h PRO 692 Ca -0.44 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.55 3kas h PRO 692 Cb 1.21 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.33 3kas h PRO 692 CO 0.75 0.00 -0.45 0.87 -0.21 0.00 0.00 178.00 178.96 3kas h LYS 693 N 0.00 0.34 -0.16 1.05 1.79 -1.95 -2.00 116.57 115.64 3kas h LYS 693 Ca 0.00 -0.34 -0.13 0.00 -2.18 0.00 0.00 60.65 58.00 3kas h LYS 693 Cb 0.23 0.09 0.00 0.00 -1.58 0.00 0.00 32.23 30.97 3kas h LYS 693 CO 0.00 1.02 -0.40 0.93 -1.08 0.00 0.00 179.45 179.92 3kas h GLU 694 N -0.21 0.55 -2.47 3.15 5.08 -1.83 -3.41 114.58 115.43 3kas h GLU 694 Ca -0.05 -0.38 -0.51 0.00 -1.00 0.00 0.00 59.36 57.42 3kas h GLU 694 Cb 1.16 0.06 -0.37 0.00 0.50 0.00 0.00 28.75 30.10 3kas h GLU 694 CO 0.09 1.00 -0.78 -1.54 -1.00 0.00 0.00 179.01 176.77 3kas s SER 695 N -6.58 2.65 0.44 1.42 1.04 0.12 -5.00 113.70 107.78 3kas s SER 695 Ca -0.13 -1.72 0.12 0.00 0.48 0.00 0.00 55.95 54.70 3kas s SER 695 Cb 0.06 -0.12 0.97 0.00 0.10 0.00 0.00 66.02 67.03 3kas s SER 695 CO 0.82 -0.34 2.01 -0.65 0.98 0.00 0.00 173.24 176.06 3kas h PRO 696 N 7.47 0.15 -4.23 4.02 0.11 -1.55 -3.34 132.00 134.62 3kas h PRO 696 Ca -0.02 -0.02 -0.75 0.00 0.11 0.00 0.00 66.00 65.31 3kas h PRO 696 Cb 1.01 -0.03 -0.18 0.00 0.11 0.00 0.00 31.00 31.91 3kas h PRO 696 CO 0.30 0.23 1.44 1.19 -0.21 0.00 0.00 178.00 180.94 3kas n PHE 697 N -4.37 4.34 1.06 0.65 0.99 -1.26 -4.16 117.46 114.70 3kas n PHE 697 Ca -0.01 -3.22 0.14 0.00 -0.00 0.00 0.00 57.45 54.35 3kas n PHE 697 Cb 0.19 -2.04 0.56 0.00 -1.00 0.00 0.00 39.48 37.20 3kas n PHE 697 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 3kas n ARG 698 N 4.72 0.07 -1.85 -1.08 1.74 -0.75 -1.08 116.66 118.42 3kas n ARG 698 Ca 0.36 -0.01 -0.43 0.00 -0.77 0.00 0.00 57.85 57.00 3kas n ARG 698 Cb 0.40 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.31 3kas n ARG 698 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 3kas s HIS 699 N -2.94 1.63 -0.11 -1.55 2.46 -1.12 -0.99 115.29 112.66 3kas s HIS 699 Ca 0.15 0.20 0.27 0.00 0.47 0.00 0.00 55.06 56.16 3kas s HIS 699 Cb 0.19 -4.04 1.34 0.00 -0.13 0.00 0.00 32.58 29.94 3kas s HIS 699 CO 0.55 -4.09 1.83 -0.39 -2.47 0.00 0.00 174.74 170.17 3kas h VAL 700 N 6.16 0.00 0.05 0.89 -1.51 -1.54 0.72 116.25 121.02 3kas h VAL 700 Ca -0.41 -0.13 -0.38 0.00 -1.23 0.00 0.00 66.70 64.56 3kas h VAL 700 Cb 1.20 0.83 -0.05 0.00 -2.13 0.00 0.00 31.29 31.14 3kas h VAL 700 CO 0.97 0.00 -2.26 0.49 -1.23 0.00 0.00 177.57 175.54 3kas n PHE 701 N -2.48 0.53 -0.08 5.19 3.01 -1.26 -0.14 117.46 122.23 3kas n PHE 701 Ca -0.00 0.12 0.00 0.00 1.01 0.00 0.00 57.45 58.57 3kas n PHE 701 Cb 0.13 -1.07 0.00 0.00 -0.01 0.00 0.00 39.48 38.53 3kas n PHE 701 CO 0.00 0.00 0.00 0.91 1.01 0.00 0.00 176.76 178.68 3kas n TRP 702 N -3.31 0.00 -0.77 1.38 5.03 -0.85 -4.86 117.44 114.06 3kas n TRP 702 Ca -0.39 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.14 3kas n TRP 702 Cb 1.02 0.00 0.00 0.00 -1.03 0.00 0.00 31.31 31.30 3kas n TRP 702 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 3kas n GLY 703 N 0.44 0.03 3.02 6.99 0.00 0.25 -4.84 105.19 111.08 3kas n GLY 703 Ca 0.00 -1.77 -0.22 0.00 0.00 0.00 0.00 46.02 44.03 3kas n GLY 703 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kas s SER 704 N -1.00 1.45 0.00 1.61 0.01 -0.24 -4.91 113.70 110.61 3kas s SER 704 Ca 0.00 -0.23 0.00 0.00 1.31 0.00 0.00 55.95 57.03 3kas s SER 704 Cb 0.00 -0.47 0.00 0.00 0.21 0.00 0.00 66.02 65.76 3kas s SER 704 CO 0.00 0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.33 3kas n GLY 705 N 3.41 0.89 0.01 3.44 0.00 -1.26 -4.64 105.19 107.04 3kas n GLY 705 Ca -0.20 -1.99 0.15 0.00 0.00 0.00 0.00 46.02 43.99 3kas n GLY 705 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kas n SER 706 N 2.47 0.04 -0.46 1.61 3.41 -1.26 -3.01 113.62 116.40 3kas n SER 706 Ca 0.00 -0.56 0.12 0.00 -0.26 0.00 0.00 58.87 58.16 3kas n SER 706 Cb 0.00 -0.14 0.10 0.00 -0.26 0.00 0.00 64.21 63.90 3kas n SER 706 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kas n HIS 707 N -1.13 0.00 -3.14 7.33 -0.00 -1.26 -4.61 115.22 112.41 3kas n HIS 707 Ca 0.19 0.00 -0.35 0.00 -0.00 0.00 0.00 57.72 57.56 3kas n HIS 707 Cb 0.18 -0.03 -0.06 0.00 -0.00 0.00 0.00 29.99 30.09 3kas n HIS 707 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.34 177.29 3kas s THR 708 N -2.45 4.63 0.24 0.61 -4.23 -1.17 -4.65 115.64 108.62 3kas s THR 708 Ca 0.21 1.13 -0.06 0.00 -1.18 0.00 0.00 61.69 61.79 3kas s THR 708 Cb 0.18 -3.77 0.22 0.00 1.34 0.00 0.00 72.50 70.47 3kas s THR 708 CO 0.54 0.09 1.69 -0.07 -0.54 0.00 0.00 174.62 176.33 3kas h LEU 709 N 3.08 -0.02 -0.62 4.79 3.38 -0.88 -0.85 115.31 124.19 3kas h LEU 709 Ca -0.48 0.14 0.10 0.00 0.09 0.00 0.00 57.88 57.74 3kas h LEU 709 Cb 1.19 0.20 -0.08 0.00 0.09 0.00 0.00 40.66 42.06 3kas h LEU 709 CO 0.65 -0.04 0.21 -0.65 0.09 0.00 0.00 178.44 178.70 3kas h PRO 710 N 0.25 0.36 -0.91 1.13 0.11 -1.89 -1.39 132.00 129.66 3kas h PRO 710 Ca 0.39 -0.02 0.09 0.00 0.11 0.00 0.00 66.00 66.57 3kas h PRO 710 Cb 0.65 -0.08 -0.07 0.00 0.11 0.00 0.00 31.00 31.61 3kas h PRO 710 CO -0.50 0.24 0.56 0.00 -0.21 0.00 0.00 178.00 178.09 3kas h ALA 711 N 1.45 1.31 -0.80 -0.75 0.00 -1.41 -0.48 119.26 118.58 3kas h ALA 711 Ca 0.32 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 3kas h ALA 711 Cb 0.43 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 3kas h ALA 711 CO -0.34 0.23 0.50 1.25 0.00 0.00 0.00 179.25 180.88 3kas h LEU 712 N 0.95 0.95 -0.36 0.00 6.46 -0.76 -1.18 115.31 121.37 3kas h LEU 712 Ca 0.43 -0.05 -0.06 0.00 -0.12 0.00 0.00 57.88 58.08 3kas h LEU 712 Cb 0.33 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 40.00 3kas h LEU 712 CO -0.22 0.72 0.01 -0.07 -0.62 0.00 0.00 178.44 178.25 3kas h LEU 713 N 1.09 0.62 -0.98 2.25 3.38 -0.71 -2.93 115.31 118.03 3kas h LEU 713 Ca 0.29 -0.30 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 3kas h LEU 713 Cb -0.07 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 3kas h LEU 713 CO -0.06 0.77 0.01 -0.33 0.09 0.00 0.00 178.44 178.92 3kas h GLU 714 N 0.45 0.75 0.00 1.13 5.08 -0.74 0.11 114.58 121.36 3kas h GLU 714 Ca 0.10 -0.19 -0.04 0.00 -1.00 0.00 0.00 59.36 58.23 3kas h GLU 714 Cb 0.44 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 3kas h GLU 714 CO 0.02 0.75 -0.21 -0.97 -1.00 0.00 0.00 179.01 177.60 3kas h ASN 715 N 0.70 0.00 0.43 1.42 -1.24 -1.22 -2.88 115.58 112.79 3kas h ASN 715 Ca 0.14 0.00 -0.30 0.00 0.71 0.00 0.00 56.30 56.85 3kas h ASN 715 Cb 0.42 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.42 3kas h ASN 715 CO 0.02 0.21 -1.79 -0.11 -1.29 0.00 0.00 177.43 174.47 3kas n LEU 716 N -3.73 0.86 0.27 0.34 7.94 -0.58 -3.35 117.00 118.75 3kas n LEU 716 Ca -0.01 0.37 0.15 0.00 -1.11 0.00 0.00 56.01 55.41 3kas n LEU 716 Cb 0.32 0.15 0.76 0.00 0.53 0.00 0.00 43.42 45.19 3kas n LEU 716 CO 0.33 0.42 0.99 0.50 -1.11 0.00 0.00 177.39 178.52 3kas h LYS 717 N 0.00 0.00 -0.94 1.96 3.64 -0.72 -2.41 116.57 118.10 3kas h LYS 717 Ca -0.32 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.06 3kas h LYS 717 Cb 2.04 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.86 3kas h LYS 717 CO 0.07 0.08 0.00 1.28 -2.27 0.00 0.00 179.45 178.62 3kas n LEU 718 N -3.36 1.30 -0.02 5.20 4.77 -1.10 -3.28 117.00 120.51 3kas n LEU 718 Ca -0.01 -0.65 0.06 0.00 -0.03 0.00 0.00 56.01 55.38 3kas n LEU 718 Cb 0.26 -0.50 -0.07 0.00 -2.33 0.00 0.00 43.42 40.78 3kas n LEU 718 CO 0.28 0.27 -0.02 -1.14 -1.33 0.00 0.00 177.39 175.45 3kas n ARG 719 N 0.03 2.72 0.01 3.23 0.63 -0.91 -3.25 116.66 119.13 3kas n ARG 719 Ca 0.02 -0.04 -0.18 0.00 -0.92 0.00 0.00 57.85 56.73 3kas n ARG 719 Cb 0.31 -1.11 -0.08 0.00 0.45 0.00 0.00 32.46 32.03 3kas n ARG 719 CO 0.00 0.00 0.00 1.57 -2.51 0.00 0.00 177.63 176.69 3kas h LYS 720 N 0.08 0.71 -6.53 -0.14 2.10 -1.77 -3.42 116.57 107.60 3kas h LYS 720 Ca 0.00 -0.66 -0.53 0.00 -2.00 0.00 0.00 60.65 57.46 3kas h LYS 720 Cb 0.31 0.16 0.01 0.00 -0.90 0.00 0.00 32.23 31.81 3kas h LYS 720 CO 0.00 1.26 0.59 1.14 -2.00 0.00 0.00 179.45 180.44 3kas s GLN 721 N -3.54 4.42 0.00 0.07 -2.07 -1.26 -4.90 119.66 112.38 3kas s GLN 721 Ca -0.09 1.85 0.00 0.00 -1.82 0.00 0.00 55.36 55.29 3kas s GLN 721 Cb 0.08 -3.30 0.00 0.00 -1.09 0.00 0.00 33.01 28.70 3kas s GLN 721 CO 0.91 -0.25 0.89 0.09 -1.32 0.00 0.00 175.29 175.60 3kas n ASN 722 N 3.61 0.20 -4.79 12.60 3.02 -1.26 -4.83 115.26 123.82 3kas n ASN 722 Ca 0.08 -1.98 -0.33 0.00 -0.03 0.00 0.00 54.58 52.33 3kas n ASN 722 Cb 0.45 -0.10 0.04 0.00 -0.61 0.00 0.00 39.78 39.56 3kas n ASN 722 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3kas s ASN 723 N -0.81 5.34 0.00 6.41 2.47 -1.26 -4.92 114.94 122.17 3kas s ASN 723 Ca 0.00 1.90 0.00 0.00 0.42 0.00 0.00 52.86 55.18 3kas s ASN 723 Cb 0.00 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.26 3kas s ASN 723 CO 0.00 -1.47 0.56 0.61 -3.72 0.00 0.00 177.10 173.08 3kas n GLY 724 N -0.83 0.07 0.24 1.21 0.00 -1.26 -3.77 105.19 100.85 3kas n GLY 724 Ca 0.09 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.01 3kas n GLY 724 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kas h ALA 725 N 2.12 0.69 -2.97 4.61 0.00 -1.91 -3.44 119.26 118.36 3kas h ALA 725 Ca 0.00 -0.47 -0.56 0.00 0.00 0.00 0.00 54.91 53.88 3kas h ALA 725 Cb 0.16 -0.10 0.15 0.00 0.00 0.00 0.00 17.79 17.99 3kas h ALA 725 CO 0.00 0.67 0.49 0.34 0.00 0.00 0.00 179.25 180.75 3kas n PHE 726 N -4.02 1.95 -3.47 0.00 7.35 -1.20 -4.98 117.46 113.08 3kas n PHE 726 Ca -0.02 0.44 -0.27 0.00 -0.76 0.00 0.00 57.45 56.84 3kas n PHE 726 Cb 0.55 -2.31 -0.10 0.00 0.35 0.00 0.00 39.48 37.98 3kas n PHE 726 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 3kas n ASN 727 N -1.00 0.65 -0.31 -2.13 2.85 -1.26 -5.00 115.26 109.07 3kas n ASN 727 Ca 0.12 -2.67 0.15 0.00 -0.11 0.00 0.00 54.58 52.06 3kas n ASN 727 Cb 0.45 -0.62 0.33 0.00 1.24 0.00 0.00 39.78 41.18 3kas n ASN 727 CO 0.00 0.00 0.00 -0.08 -2.11 0.00 0.00 177.26 175.07 3kas h GLU 728 N 5.23 0.27 0.66 1.20 4.81 -1.93 -1.43 114.58 123.38 3kas h GLU 728 Ca 0.21 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.39 3kas h GLU 728 Cb 0.85 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.18 3kas h GLU 728 CO 0.49 0.18 -0.33 1.79 -0.73 0.00 0.00 179.01 180.41 3kas h THR 729 N 0.28 0.32 -0.86 0.32 1.35 -2.00 -2.21 112.91 110.11 3kas h THR 729 Ca 0.59 0.00 0.22 0.00 -0.55 0.00 0.00 66.41 66.67 3kas h THR 729 Cb 1.20 0.32 -0.14 0.00 -1.73 0.00 0.00 68.15 67.80 3kas h THR 729 CO -0.62 0.00 0.20 0.25 -0.25 0.00 0.00 175.52 175.11 3kas h LEU 730 N -0.90 -0.05 -0.70 3.87 5.85 -1.73 -0.90 115.31 120.75 3kas h LEU 730 Ca -0.09 0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 3kas h LEU 730 Cb 0.70 0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.98 3kas h LEU 730 CO 0.14 -0.16 0.38 0.15 -0.34 0.00 0.00 178.44 178.61 3kas h PHE 731 N 0.20 0.96 -0.08 1.25 3.57 -0.95 0.22 116.94 122.11 3kas h PHE 731 Ca 0.53 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.97 3kas h PHE 731 Cb 1.05 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 39.47 3kas h PHE 731 CO -0.29 0.68 -0.13 0.00 -2.23 0.00 0.00 178.31 176.34 3kas h ARG 732 N 0.96 0.13 -0.01 1.11 3.08 -0.58 0.47 114.38 119.54 3kas h ARG 732 Ca 0.25 -0.03 -0.15 0.00 0.07 0.00 0.00 59.98 60.13 3kas h ARG 732 Cb 0.04 -0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.08 3kas h ARG 732 CO -0.04 0.27 -0.56 -0.97 -1.07 0.00 0.00 179.97 177.60 3kas h ASN 733 N 0.12 0.51 -0.33 7.04 -0.00 -0.82 -2.22 115.58 119.88 3kas h ASN 733 Ca 0.03 -0.75 0.04 0.00 -0.00 0.00 0.00 56.30 55.61 3kas h ASN 733 Cb 0.31 -0.16 -0.03 0.00 -0.00 0.00 0.00 38.32 38.44 3kas h ASN 733 CO 0.02 1.19 0.12 1.56 -0.00 0.00 0.00 177.43 180.32 3kas h GLN 734 N -0.12 0.26 -0.37 6.67 4.20 -0.06 0.27 115.11 125.96 3kas h GLN 734 Ca -0.07 -0.02 0.06 0.00 0.06 0.00 0.00 58.65 58.68 3kas h GLN 734 Cb 1.27 -0.06 -0.05 0.00 0.30 0.00 0.00 27.48 28.94 3kas h GLN 734 CO 0.11 0.17 0.07 1.25 -0.67 0.00 0.00 178.83 179.76 3kas h LEU 735 N 0.27 -0.00 0.73 1.46 5.85 -0.11 0.65 115.31 124.15 3kas h LEU 735 Ca 0.15 0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.89 3kas h LEU 735 Cb 0.11 0.09 0.01 0.00 0.37 0.00 0.00 40.66 41.24 3kas h LEU 735 CO -0.14 0.04 -0.35 0.00 -0.34 0.00 0.00 178.44 177.64 3kas h ALA 736 N 1.28 -0.98 -0.76 1.25 0.00 -0.72 -1.26 119.26 118.06 3kas h ALA 736 Ca 0.18 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 54.92 3kas h ALA 736 Cb 0.21 0.38 -0.06 0.00 0.00 0.00 0.00 17.79 18.32 3kas h ALA 736 CO -0.24 -1.04 0.46 -0.07 0.00 0.00 0.00 179.25 178.36 3kas h LEU 737 N -1.00 0.72 0.00 0.00 3.38 -0.31 0.81 115.31 118.91 3kas h LEU 737 Ca -0.10 0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.90 3kas h LEU 737 Cb 0.76 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 3kas h LEU 737 CO 0.16 0.46 -0.06 0.00 0.09 0.00 0.00 178.44 179.10 3kas h ALA 738 N 1.37 -0.07 -0.24 1.53 0.00 -0.83 0.14 119.26 121.17 3kas h ALA 738 Ca 0.33 0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.29 3kas h ALA 738 Cb 0.15 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 3kas h ALA 738 CO -0.17 -0.56 0.01 1.15 0.00 0.00 0.00 179.25 179.68 3kas h THR 739 N -0.12 0.84 -0.48 0.00 2.02 -0.28 -0.71 112.91 114.18 3kas h THR 739 Ca 0.03 -0.03 0.02 0.00 0.77 0.00 0.00 66.41 67.20 3kas h THR 739 Cb 0.15 0.75 -0.03 0.00 -1.74 0.00 0.00 68.15 67.27 3kas h THR 739 CO -0.06 0.02 0.28 -0.50 0.37 0.00 0.00 175.52 175.62 3kas h TRP 740 N 0.08 0.52 -0.22 3.16 6.55 -0.61 0.10 115.95 125.55 3kas h TRP 740 Ca 0.11 0.02 0.02 0.00 0.95 0.00 0.00 58.89 59.99 3kas h TRP 740 Cb 0.14 -0.17 -0.02 0.00 -0.86 0.00 0.00 29.16 28.25 3kas h TRP 740 CO -0.19 0.30 0.09 1.15 -1.05 0.00 0.00 178.44 178.74 3kas h THR 741 N 0.56 0.97 -0.38 1.49 2.02 -0.23 0.11 112.91 117.45 3kas h THR 741 Ca 0.19 -0.07 -0.06 0.00 0.77 0.00 0.00 66.41 67.25 3kas h THR 741 Cb 0.03 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.17 3kas h THR 741 CO -0.09 0.04 0.02 0.40 0.37 0.00 0.00 175.52 176.25 3kas h ILE 742 N 0.21 1.25 0.00 3.11 2.04 -0.86 -1.04 117.51 122.22 3kas h ILE 742 Ca 0.09 -0.96 0.02 0.00 1.00 0.00 0.00 64.86 65.01 3kas h ILE 742 Cb 0.04 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 3kas h ILE 742 CO -0.08 0.32 -0.11 1.56 0.00 0.00 0.00 178.15 179.85 3kas h GLN 743 N 0.49 -0.18 -0.80 2.37 1.08 -0.65 -0.77 115.11 116.66 3kas h GLN 743 Ca 0.11 0.01 0.14 0.00 -1.45 0.00 0.00 58.65 57.47 3kas h GLN 743 Cb 0.44 0.04 -0.09 0.00 -0.05 0.00 0.00 27.48 27.82 3kas h GLN 743 CO 0.02 -0.12 0.38 0.78 -0.95 0.00 0.00 178.83 178.93 3kas h GLY 744 N -0.18 1.27 1.00 3.46 0.00 -0.56 0.24 103.07 108.30 3kas h GLY 744 Ca 0.04 -0.21 -0.08 0.00 0.00 0.00 0.00 47.33 47.08 3kas h GLY 744 CO -0.11 -0.06 -0.01 0.00 0.00 0.00 0.00 176.54 176.37 3kas h ALA 745 N 1.55 0.65 -0.42 3.60 0.00 -0.76 0.15 119.26 124.03 3kas h ALA 745 Ca 0.44 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3kas h ALA 745 Cb 0.63 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3kas h ALA 745 CO -0.37 0.46 0.25 0.00 0.00 0.00 0.00 179.25 179.59 3kas h ALA 746 N 0.92 0.54 -0.58 0.00 0.00 0.25 -2.39 119.26 118.00 3kas h ALA 746 Ca 0.14 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 3kas h ALA 746 Cb 0.52 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3kas h ALA 746 CO 0.03 0.03 0.08 -0.91 0.00 0.00 0.00 179.25 178.47 3kas h ASN 747 N 0.56 0.90 0.25 0.00 2.35 -0.35 -2.11 115.58 117.19 3kas h ASN 747 Ca 0.15 -0.21 -0.00 0.00 -0.55 0.00 0.00 56.30 55.69 3kas h ASN 747 Cb -0.00 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.13 3kas h ASN 747 CO -0.03 0.92 -0.02 0.00 -1.65 0.00 0.00 177.43 176.65 3kas h ALA 748 N 1.19 1.13 0.00 -0.83 0.00 -0.45 -3.03 119.26 117.26 3kas h ALA 748 Ca 0.18 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 3kas h ALA 748 Cb 0.42 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3kas h ALA 748 CO 0.01 0.03 -1.78 -0.11 0.00 0.00 0.00 179.25 177.40 3kas n LEU 749 N -3.30 0.23 0.23 0.00 7.94 -0.84 -4.41 117.00 116.85 3kas n LEU 749 Ca -0.02 0.09 0.16 0.00 -1.11 0.00 0.00 56.01 55.13 3kas n LEU 749 Cb 0.15 0.02 0.73 0.00 0.53 0.00 0.00 43.42 44.84 3kas n LEU 749 CO 0.24 -0.00 0.97 0.77 -1.11 0.00 0.00 177.39 178.26 3kas h SER 750 N 0.00 0.00 0.00 1.96 4.64 -1.31 -3.46 113.55 115.37 3kas h SER 750 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 3kas h SER 750 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 3kas h SER 750 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3kas n GLY 751 N -0.41 1.20 3.74 -0.77 0.00 -1.26 -4.91 105.19 102.78 3kas n GLY 751 Ca -0.00 -0.91 -0.41 0.00 0.00 0.00 0.00 46.02 44.70 3kas n GLY 751 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kas s ASP 752 N -4.00 7.36 0.66 1.61 1.01 -1.26 -4.91 116.67 117.13 3kas s ASP 752 Ca 0.00 2.06 0.42 0.00 0.71 0.00 0.00 52.55 55.74 3kas s ASP 752 Cb 0.00 -2.61 2.34 0.00 1.01 0.00 0.00 42.92 43.66 3kas s ASP 752 CO 0.00 -0.13 2.35 -0.37 0.21 0.00 0.00 175.17 177.24 3kas h VAL 753 N 3.58 0.08 -0.01 -1.27 -1.51 -1.98 0.36 116.25 115.50 3kas h VAL 753 Ca -0.45 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.02 3kas h VAL 753 Cb 1.21 0.99 0.00 0.00 -2.13 0.00 0.00 31.29 31.36 3kas h VAL 753 CO 0.71 0.00 -0.01 -2.67 -1.23 0.00 0.00 177.57 174.37 3kas n TRP 754 N -3.20 0.00 -3.47 5.19 2.14 -1.26 -4.63 117.44 112.21 3kas n TRP 754 Ca -0.03 0.00 -0.43 0.00 2.07 0.00 0.00 57.50 59.11 3kas n TRP 754 Cb 0.08 -0.01 -0.07 0.00 -0.81 0.00 0.00 31.31 30.50 3kas n TRP 754 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 3kas s ASP 755 N -2.02 5.95 0.00 -0.67 1.01 0.12 -5.24 116.67 115.82 3kas s ASP 755 Ca 0.43 -2.09 0.00 0.00 0.71 0.00 0.00 52.55 51.60 3kas s ASP 755 Cb 0.21 -2.08 0.00 0.00 1.01 0.00 0.00 42.92 42.07 3kas s ASP 755 CO 0.36 -0.69 0.00 -0.38 0.21 0.00 0.00 175.17 174.67