#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i86 h TYR 110 N 0.00 0.00 -0.38 6.34 0.05 -1.99 -3.08 116.97 117.91 3i86 h TYR 110 Ca 0.00 0.00 -0.15 0.00 0.05 0.00 0.00 58.73 58.63 3i86 h TYR 110 Cb 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.73 3i86 h TYR 110 CO 0.00 0.40 -0.34 0.78 -1.05 0.00 0.00 178.16 177.96 3i86 h GLY 111 N 3.37 0.98 1.18 3.88 0.00 -1.96 -0.76 103.07 109.76 3i86 h GLY 111 Ca -0.00 -0.98 -0.12 0.00 0.00 0.00 0.00 47.33 46.22 3i86 h GLY 111 CO 0.05 0.89 -0.17 -0.09 0.00 0.00 0.00 176.54 177.22 3i86 h ARG 112 N 0.72 0.95 -0.14 4.80 2.43 -1.90 -2.64 114.38 118.60 3i86 h ARG 112 Ca 0.07 -0.37 -0.18 0.00 -0.81 0.00 0.00 59.98 58.69 3i86 h ARG 112 Cb 0.93 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.42 3i86 h ARG 112 CO 0.09 1.04 -0.64 1.96 -1.51 0.00 0.00 179.97 180.90 3i86 h GLN 113 N 0.84 0.51 -0.66 0.20 4.20 -1.45 -2.63 115.11 116.11 3i86 h GLN 113 Ca 0.12 -0.37 -0.04 0.00 0.06 0.00 0.00 58.65 58.43 3i86 h GLN 113 Cb 0.72 0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.54 3i86 h GLN 113 CO 0.06 0.99 0.27 0.00 -0.67 0.00 0.00 178.83 179.47 3i86 h ALA 114 N 0.92 0.86 -0.42 3.87 0.00 -1.04 -1.13 119.26 122.33 3i86 h ALA 114 Ca -0.01 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 3i86 h ALA 114 Cb 1.21 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 3i86 h ALA 114 CO 0.12 0.47 0.14 0.82 0.00 0.00 0.00 179.25 180.80 3i86 h ILE 115 N 0.93 1.21 -0.20 0.00 2.04 -1.41 0.28 117.51 120.37 3i86 h ILE 115 Ca 0.22 -0.68 0.01 0.00 1.00 0.00 0.00 64.86 65.41 3i86 h ILE 115 Cb 0.20 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 3i86 h ILE 115 CO -0.02 0.25 0.10 -0.33 0.00 0.00 0.00 178.15 178.15 3i86 h GLU 116 N 0.54 0.21 -0.19 2.37 4.39 -1.29 0.01 114.58 120.62 3i86 h GLU 116 Ca 0.14 -0.01 0.05 0.00 0.34 0.00 0.00 59.36 59.88 3i86 h GLU 116 Cb 0.24 -0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 28.78 3i86 h GLU 116 CO -0.01 0.14 -0.17 -0.92 -1.16 0.00 0.00 179.01 176.89 3i86 h TYR 117 N 0.22 -0.45 -0.09 4.33 3.20 -0.87 0.95 116.97 124.26 3i86 h TYR 117 Ca 0.08 0.03 0.04 0.00 3.14 0.00 0.00 58.73 62.02 3i86 h TYR 117 Cb 0.01 0.23 -0.05 0.00 1.54 0.00 0.00 36.73 38.45 3i86 h TYR 117 CO -0.09 -0.25 -0.24 0.28 -1.64 0.00 0.00 178.16 176.23 3i86 h VAL 118 N -0.19 0.44 -0.63 1.81 2.07 0.01 -0.18 116.25 119.57 3i86 h VAL 118 Ca 0.12 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.72 3i86 h VAL 118 Cb 0.37 0.44 -0.07 0.00 -1.52 0.00 0.00 31.29 30.51 3i86 h VAL 118 CO -0.31 0.00 0.29 0.40 0.02 0.00 0.00 177.57 177.97 3i86 h ILE 119 N -0.32 0.84 -0.72 4.57 2.04 -0.69 -0.83 117.51 122.39 3i86 h ILE 119 Ca 0.09 -0.17 -0.06 0.00 1.00 0.00 0.00 64.86 65.72 3i86 h ILE 119 Cb 0.45 0.28 -0.03 0.00 -0.74 0.00 0.00 36.82 36.78 3i86 h ILE 119 CO -0.28 0.09 0.23 0.50 0.00 0.00 0.00 178.15 178.69 3i86 h LYS 120 N 0.51 1.12 -0.42 2.37 1.63 -0.36 0.96 116.57 122.38 3i86 h LYS 120 Ca 0.31 -0.24 -0.06 0.00 -0.85 0.00 0.00 60.65 59.82 3i86 h LYS 120 Cb 0.33 -0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 31.78 3i86 h LYS 120 CO -0.26 0.95 0.04 -0.09 -3.45 0.00 0.00 179.45 176.64 3i86 h ARG 121 N 1.08 0.71 -0.05 1.90 2.43 -0.52 -1.33 114.38 118.59 3i86 h ARG 121 Ca 0.23 -0.20 -0.00 0.00 -0.81 0.00 0.00 59.98 59.20 3i86 h ARG 121 Cb 0.30 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.77 3i86 h ARG 121 CO -0.01 0.76 0.02 0.52 -1.51 0.00 0.00 179.97 179.75 3i86 h MET 122 N 0.56 0.08 -0.85 0.20 2.86 -0.96 -2.60 114.93 114.22 3i86 h MET 122 Ca 0.12 -0.02 0.25 0.00 -2.06 0.00 0.00 59.70 57.99 3i86 h MET 122 Cb 0.41 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.03 3i86 h MET 122 CO 0.01 0.26 0.78 0.78 1.06 0.00 0.00 176.91 179.80 3i86 h GLY 123 N -0.10 0.00 2.00 8.32 0.00 -0.63 0.63 103.07 113.29 3i86 h GLY 123 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 3i86 h GLY 123 CO -0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.40 3i86 n SER 124 N -3.78 0.01 -1.51 0.19 3.41 -0.52 -2.35 113.62 109.07 3i86 n SER 124 Ca 0.18 0.50 0.10 0.00 -0.26 0.00 0.00 58.87 59.39 3i86 n SER 124 Cb 1.07 -0.50 0.35 0.00 -0.26 0.00 0.00 64.21 64.86 3i86 n SER 124 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i86 n GLN 125 N -1.51 3.34 -1.66 4.33 1.13 0.21 -4.98 117.38 118.25 3i86 n GLN 125 Ca 0.05 -2.79 -0.57 0.00 -1.94 0.00 0.00 57.00 51.74 3i86 n GLN 125 Cb 0.24 -1.78 -0.07 0.00 0.11 0.00 0.00 30.24 28.74 3i86 n GLN 125 CO 0.00 0.00 0.00 -0.12 -1.44 0.00 0.00 177.06 175.50 3i86 n MET 126 N 1.36 0.87 0.00 -1.09 1.56 -0.99 -0.95 117.12 117.87 3i86 n MET 126 Ca 0.26 0.32 0.00 0.00 -0.27 0.00 0.00 57.70 58.00 3i86 n MET 126 Cb 0.79 -1.94 0.00 0.00 2.15 0.00 0.00 33.22 34.22 3i86 n MET 126 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 3i86 n GLY 127 N 3.35 2.60 3.65 -5.12 0.00 -0.24 -4.92 105.19 104.51 3i86 n GLY 127 Ca 0.24 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.79 3i86 n GLY 127 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3i86 n VAL 128 N -2.00 0.49 -1.66 1.61 0.31 -0.13 -4.53 118.33 112.43 3i86 n VAL 128 Ca 0.00 -0.12 -0.33 0.00 -0.01 0.00 0.00 64.34 63.88 3i86 n VAL 128 Cb 0.00 -1.36 0.06 0.00 -0.91 0.00 0.00 33.84 31.63 3i86 n VAL 128 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 3i86 s PRO 129 N 0.17 2.65 0.14 5.55 0.04 -1.26 -0.79 135.00 141.50 3i86 s PRO 129 Ca 0.74 1.41 -0.30 0.00 0.04 0.00 0.00 61.00 62.89 3i86 s PRO 129 Cb -0.72 -1.93 -0.08 0.00 0.04 0.00 0.00 34.50 31.82 3i86 s PRO 129 CO 0.45 -1.37 1.28 -0.47 0.04 0.00 0.00 177.00 176.93 3i86 s TYR 130 N -2.36 3.34 -0.13 0.56 5.04 0.32 -2.45 117.35 121.66 3i86 s TYR 130 Ca 0.67 1.21 -0.04 0.00 -2.44 0.00 0.00 57.07 56.47 3i86 s TYR 130 Cb -0.21 -3.54 0.05 0.00 0.35 0.00 0.00 41.96 38.61 3i86 s TYR 130 CO 0.43 -1.72 0.08 0.45 -1.34 0.00 0.00 175.55 173.45 3i86 s SER 131 N 0.67 1.99 0.06 4.32 0.15 0.14 -4.79 113.70 116.24 3i86 s SER 131 Ca 0.58 -0.40 -0.32 0.00 0.70 0.00 0.00 55.95 56.51 3i86 s SER 131 Cb -0.34 -0.23 -0.11 0.00 -1.71 0.00 0.00 66.02 63.63 3i86 s SER 131 CO 0.34 -0.32 1.82 1.87 1.20 0.00 0.00 173.24 178.15 3i86 n TRP 132 N 5.28 2.46 -0.96 3.44 -0.00 -1.26 -0.33 117.44 126.07 3i86 n TRP 132 Ca -0.06 -0.06 0.00 0.00 -0.00 0.00 0.00 57.50 57.38 3i86 n TRP 132 Cb 0.49 -2.69 0.00 0.00 -0.00 0.00 0.00 31.31 29.11 3i86 n TRP 132 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 3i86 n GLY 133 N 4.17 0.94 3.88 5.87 0.00 -1.26 -0.58 105.19 118.20 3i86 n GLY 133 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 3i86 n GLY 133 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i86 s GLY 134 N -1.96 2.27 0.00 -0.02 0.00 0.56 -4.41 107.32 103.75 3i86 s GLY 134 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 44.72 44.42 3i86 s GLY 134 CO 0.00 -0.17 0.00 0.61 0.00 0.00 0.00 173.10 173.54 3i86 n GLY 135 N -0.13 3.97 0.64 0.20 0.00 -0.95 -1.66 105.19 107.26 3i86 n GLY 135 Ca 0.00 -1.34 -0.05 0.00 0.00 0.00 0.00 46.02 44.63 3i86 n GLY 135 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i86 n SER 136 N 0.00 1.48 0.22 1.61 3.41 0.74 -4.68 113.62 116.39 3i86 n SER 136 Ca 0.00 -1.40 0.11 0.00 -0.26 0.00 0.00 58.87 57.31 3i86 n SER 136 Cb 0.00 0.14 0.38 0.00 -0.26 0.00 0.00 64.21 64.48 3i86 n SER 136 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3i86 h LEU 137 N 0.00 0.00 -0.56 1.04 4.07 -1.93 -3.33 115.31 114.60 3i86 h LEU 137 Ca -0.07 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.89 3i86 h LEU 137 Cb 0.23 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.97 3i86 h LEU 137 CO 0.11 0.17 -0.39 0.47 -1.08 0.00 0.00 178.44 177.71 3i86 n ASP 138 N -3.24 1.19 0.00 -0.43 8.00 -1.26 -4.77 116.55 116.04 3i86 n ASP 138 Ca 0.01 -1.10 0.00 0.00 0.71 0.00 0.00 54.79 54.42 3i86 n ASP 138 Cb 0.47 0.64 0.00 0.00 -0.02 0.00 0.00 41.12 42.21 3i86 n ASP 138 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i86 n GLY 139 N 1.14 -1.23 3.74 0.44 0.00 -1.25 -5.12 105.19 102.90 3i86 n GLY 139 Ca 0.05 -1.17 -0.36 0.00 0.00 0.00 0.00 46.02 44.54 3i86 n GLY 139 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3i86 s PRO 140 N -1.83 2.68 0.12 1.61 0.02 -1.26 -0.19 135.00 136.16 3i86 s PRO 140 Ca 0.00 1.83 -0.07 0.00 0.02 0.00 0.00 61.00 62.78 3i86 s PRO 140 Cb 0.00 -1.89 -0.01 0.00 0.02 0.00 0.00 34.50 32.61 3i86 s PRO 140 CO 0.00 -1.43 0.18 -1.54 -0.33 0.00 0.00 177.00 173.88 3i86 s SER 141 N -1.72 0.16 0.28 2.53 1.04 -0.89 -4.66 113.70 110.44 3i86 s SER 141 Ca 0.77 -0.86 -0.30 0.00 0.48 0.00 0.00 55.95 56.04 3i86 s SER 141 Cb -0.31 0.35 -0.12 0.00 0.10 0.00 0.00 66.02 66.04 3i86 s SER 141 CO 0.38 -0.78 1.54 0.29 0.98 0.00 0.00 173.24 175.65 3i86 n LYS 142 N -0.11 2.51 0.00 4.02 5.02 -1.26 -1.93 118.16 126.42 3i86 n LYS 142 Ca -0.10 0.89 0.00 0.00 -2.02 0.00 0.00 58.31 57.08 3i86 n LYS 142 Cb 0.63 -2.64 0.00 0.00 -0.02 0.00 0.00 35.03 33.00 3i86 n LYS 142 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i86 n GLY 143 N 2.13 0.74 3.19 0.72 0.00 -0.36 -4.48 105.19 107.13 3i86 n GLY 143 Ca 0.09 -1.64 -0.11 0.00 0.00 0.00 0.00 46.02 44.36 3i86 n GLY 143 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i86 s VAL 144 N 0.68 0.20 0.00 1.61 -7.23 0.25 -3.76 120.40 112.15 3i86 s VAL 144 Ca 0.00 -1.95 0.00 0.00 -1.81 0.00 0.00 61.98 58.22 3i86 s VAL 144 Cb 0.00 -2.21 0.00 0.00 0.56 0.00 0.00 36.38 34.73 3i86 s VAL 144 CO 0.00 -0.32 0.00 0.61 -0.31 0.00 0.00 175.10 175.08 3i86 n GLY 145 N -0.19 2.69 0.11 2.32 0.00 -1.26 -1.76 105.19 107.11 3i86 n GLY 145 Ca -0.03 -0.36 0.10 0.00 0.00 0.00 0.00 46.02 45.73 3i86 n GLY 145 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3i86 n ASP 146 N 3.44 0.50 0.00 1.61 5.68 -1.26 -1.23 116.55 125.29 3i86 n ASP 146 Ca 0.00 0.65 0.14 0.00 -0.50 0.00 0.00 54.79 55.09 3i86 n ASP 146 Cb 0.00 -0.75 0.78 0.00 -1.14 0.00 0.00 41.12 40.01 3i86 n ASP 146 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3i86 n GLY 147 N -0.42 -1.10 0.30 6.12 0.00 -0.72 -4.02 105.19 105.35 3i86 n GLY 147 Ca 0.01 -0.16 0.15 0.00 0.00 0.00 0.00 46.02 46.03 3i86 n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i86 h ALA 148 N 3.55 1.53 -0.01 4.61 0.00 -1.26 -0.75 119.26 126.93 3i86 h ALA 148 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i86 h ALA 148 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3i86 h ALA 148 CO 0.00 -0.01 -0.35 0.09 0.00 0.00 0.00 179.25 178.99 3i86 n ASN 149 N -3.84 1.78 -4.33 0.00 5.03 -1.26 -4.71 115.26 107.94 3i86 n ASN 149 Ca -0.03 -1.39 -0.35 0.00 0.87 0.00 0.00 54.58 53.68 3i86 n ASN 149 Cb 0.09 0.44 -0.14 0.00 -1.02 0.00 0.00 39.78 39.15 3i86 n ASN 149 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3i86 s ILE 150 N -2.01 3.46 -0.87 2.41 1.01 -0.76 -5.05 121.20 119.39 3i86 s ILE 150 Ca 0.15 -0.47 -0.22 0.00 0.00 0.00 0.00 60.65 60.11 3i86 s ILE 150 Cb 0.14 -2.57 0.08 0.00 0.01 0.00 0.00 42.46 40.12 3i86 s ILE 150 CO 0.43 0.42 1.20 -0.89 0.00 0.00 0.00 174.94 176.11 3i86 s THR 151 N 1.39 4.26 0.00 2.92 2.01 -1.26 -3.11 115.64 121.85 3i86 s THR 151 Ca 0.05 -0.79 0.00 0.00 0.31 0.00 0.00 61.69 61.26 3i86 s THR 151 Cb -0.14 -4.86 0.00 0.00 0.01 0.00 0.00 72.50 67.51 3i86 s THR 151 CO -0.02 -1.67 0.00 0.61 -0.69 0.00 0.00 174.62 172.85 3i86 n GLY 152 N 5.85 4.01 2.98 4.40 0.00 -0.81 -4.61 105.19 117.01 3i86 n GLY 152 Ca 0.17 -0.27 -0.12 0.00 0.00 0.00 0.00 46.02 45.79 3i86 n GLY 152 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i86 s PHE 153 N 0.80 -0.12 0.54 1.61 0.08 -1.03 -2.10 117.98 117.77 3i86 s PHE 153 Ca 0.00 0.30 0.04 0.00 0.12 0.00 0.00 56.93 57.38 3i86 s PHE 153 Cb 0.00 0.03 0.10 0.00 -0.57 0.00 0.00 43.02 42.58 3i86 s PHE 153 CO 0.00 -0.06 0.74 -0.40 -0.10 0.00 0.00 175.22 175.40 3i86 n ASP 154 N 3.07 1.38 0.33 1.36 5.68 -0.66 -0.68 116.55 127.03 3i86 n ASP 154 Ca -0.13 -2.08 -0.17 0.00 -0.50 0.00 0.00 54.79 51.91 3i86 n ASP 154 Cb 0.59 -0.44 -0.09 0.00 -1.14 0.00 0.00 41.12 40.04 3i86 n ASP 154 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3i86 h SER 156 N -0.88 0.53 -0.97 0.00 4.64 -1.86 -2.52 113.55 112.49 3i86 h SER 156 Ca -0.08 -0.04 0.01 0.00 -0.47 0.00 0.00 61.79 61.20 3i86 h SER 156 Cb 0.65 -0.13 -0.05 0.00 -0.31 0.00 0.00 62.40 62.56 3i86 h SER 156 CO 0.14 0.46 0.64 1.23 -0.87 0.00 0.00 176.83 178.43 3i86 h GLY 157 N 0.71 1.36 0.67 -0.77 0.00 -1.71 -1.20 103.07 102.14 3i86 h GLY 157 Ca 0.15 -0.50 -0.01 0.00 0.00 0.00 0.00 47.33 46.97 3i86 h GLY 157 CO -0.02 0.49 -0.05 -2.00 0.00 0.00 0.00 176.54 174.96 3i86 h LEU 158 N 1.30 -0.12 -0.66 3.11 5.85 -0.93 -1.90 115.31 121.96 3i86 h LEU 158 Ca 0.36 -0.27 0.14 0.00 0.84 0.00 0.00 57.88 58.94 3i86 h LEU 158 Cb -0.14 0.03 -0.11 0.00 0.37 0.00 0.00 40.66 40.81 3i86 h LEU 158 CO -0.08 0.22 0.00 0.24 -0.34 0.00 0.00 178.44 178.48 3i86 h MET 159 N -0.48 0.11 -0.19 1.25 2.86 -1.39 0.78 114.93 117.87 3i86 h MET 159 Ca -0.02 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 3i86 h MET 159 Cb 0.39 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.02 3i86 h MET 159 CO 0.02 0.07 0.07 -0.09 1.06 0.00 0.00 176.91 178.05 3i86 h ARG 160 N 0.11 0.28 -0.60 1.72 2.43 -1.12 -2.35 114.38 114.85 3i86 h ARG 160 Ca 0.35 -0.05 0.03 0.00 -0.81 0.00 0.00 59.98 59.49 3i86 h ARG 160 Cb 0.57 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.04 3i86 h ARG 160 CO -0.57 0.36 0.37 -0.92 -1.51 0.00 0.00 179.97 177.70 3i86 h TYR 161 N 0.14 0.69 -0.03 2.20 3.20 -0.57 -1.23 116.97 121.37 3i86 h TYR 161 Ca 0.06 0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.99 3i86 h TYR 161 Cb 0.19 -0.23 -0.04 0.00 1.54 0.00 0.00 36.73 38.19 3i86 h TYR 161 CO -0.01 0.40 -0.22 0.78 -1.64 0.00 0.00 178.16 177.47 3i86 h GLY 162 N 0.73 -0.29 2.00 1.82 0.00 -0.64 -2.82 103.07 103.88 3i86 h GLY 162 Ca 0.24 0.26 -0.08 0.00 0.00 0.00 0.00 47.33 47.76 3i86 h GLY 162 CO -0.10 -0.19 -0.36 0.74 0.00 0.00 0.00 176.54 176.63 3i86 h PHE 163 N -0.33 0.00 -0.23 5.60 0.04 -1.16 -2.12 116.94 118.74 3i86 h PHE 163 Ca 0.07 0.00 0.07 0.00 2.80 0.00 0.00 57.97 60.91 3i86 h PHE 163 Cb 0.42 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.56 3i86 h PHE 163 CO -0.28 0.36 0.17 0.00 -0.60 0.00 0.00 178.31 177.97 3i86 h ALA 164 N 1.64 2.18 0.00 2.45 0.00 -0.97 -1.46 119.26 123.10 3i86 h ALA 164 Ca -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3i86 h ALA 164 Cb 0.64 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 3i86 h ALA 164 CO 0.05 -0.29 -0.04 0.78 0.00 0.00 0.00 179.25 179.75 3i86 h GLY 165 N 0.00 0.00 -1.00 0.00 0.00 -1.30 -0.85 103.07 99.92 3i86 h GLY 165 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.44 3i86 h GLY 165 CO -0.00 0.00 0.00 3.33 0.00 0.00 0.00 176.54 179.87 3i86 n VAL 166 N -3.35 1.64 -0.63 4.60 0.24 -0.60 -4.98 118.33 115.24 3i86 n VAL 166 Ca -0.02 -1.55 0.00 0.00 -2.04 0.00 0.00 64.34 60.74 3i86 n VAL 166 Cb 0.16 0.09 0.00 0.00 -1.47 0.00 0.00 33.84 32.62 3i86 n VAL 166 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3i86 n GLY 167 N -0.35 0.75 3.66 7.63 0.00 -0.33 -5.03 105.19 111.53 3i86 n GLY 167 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 3i86 n GLY 167 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i86 s VAL 168 N -2.62 5.22 -0.33 1.61 1.01 -0.91 -4.96 120.40 119.41 3i86 s VAL 168 Ca 0.00 0.63 -0.13 0.00 0.00 0.00 0.00 61.98 62.49 3i86 s VAL 168 Cb 0.00 -3.70 -0.02 0.00 0.00 0.00 0.00 36.38 32.66 3i86 s VAL 168 CO 0.00 0.25 0.24 -0.22 0.00 0.00 0.00 175.10 175.38 3i86 s LEU 169 N 1.34 4.44 0.29 3.92 2.96 -1.26 -2.87 118.68 127.51 3i86 s LEU 169 Ca 0.17 -0.34 0.08 0.00 -0.22 0.00 0.00 54.13 53.82 3i86 s LEU 169 Cb -0.15 -2.15 -0.04 0.00 0.50 0.00 0.00 46.19 44.36 3i86 s LEU 169 CO 0.08 -0.21 0.15 0.27 -1.32 0.00 0.00 176.35 175.31 3i86 s ILE 170 N 1.75 3.67 1.04 6.68 -4.36 -1.26 -5.10 121.20 123.61 3i86 s ILE 170 Ca 0.07 -1.61 -0.12 0.00 -0.26 0.00 0.00 60.65 58.73 3i86 s ILE 170 Cb -0.17 -3.11 0.21 0.00 1.25 0.00 0.00 42.46 40.64 3i86 s ILE 170 CO 0.11 -0.28 1.07 -2.84 0.24 0.00 0.00 174.94 173.24 3i86 s PRO 171 N -3.82 0.07 0.15 0.37 0.02 -1.26 -4.95 135.00 125.57 3i86 s PRO 171 Ca 0.35 1.02 -0.06 0.00 0.02 0.00 0.00 61.00 62.33 3i86 s PRO 171 Cb -0.06 -1.66 -0.02 0.00 0.02 0.00 0.00 34.50 32.79 3i86 s PRO 171 CO 0.23 -3.11 1.40 -0.09 -0.33 0.00 0.00 177.00 175.10 3i86 h ARG 172 N -2.19 0.61 -5.47 5.54 9.65 -1.96 -3.44 114.38 117.11 3i86 h ARG 172 Ca -0.54 -0.47 -0.60 0.00 -1.10 0.00 0.00 59.98 57.28 3i86 h ARG 172 Cb 1.31 0.09 -0.10 0.00 -1.39 0.00 0.00 29.97 29.87 3i86 h ARG 172 CO 0.49 1.09 -0.37 0.12 2.80 0.00 0.00 179.97 184.09 3i86 s PHE 173 N -3.77 3.47 0.45 2.20 5.36 -1.26 -4.53 117.98 119.90 3i86 s PHE 173 Ca -0.08 0.54 0.18 0.00 -0.96 0.00 0.00 56.93 56.61 3i86 s PHE 173 Cb 0.10 -2.26 1.14 0.00 -0.34 0.00 0.00 43.02 41.65 3i86 s PHE 173 CO 0.87 0.31 1.95 0.66 -1.46 0.00 0.00 175.22 177.54 3i86 h SER 174 N 6.46 0.29 -0.26 6.13 4.64 -1.87 0.18 113.55 129.11 3i86 h SER 174 Ca -0.43 0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 60.83 3i86 h SER 174 Cb 1.17 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 63.20 3i86 h SER 174 CO 0.74 0.15 -0.08 1.23 -0.87 0.00 0.00 176.83 178.00 3i86 h GLY 175 N 0.31 0.69 1.67 -0.77 0.00 -1.77 0.42 103.07 103.61 3i86 h GLY 175 Ca 0.33 -0.47 -0.21 0.00 0.00 0.00 0.00 47.33 46.98 3i86 h GLY 175 CO -0.08 0.44 -1.13 -0.55 0.00 0.00 0.00 176.54 175.22 3i86 h ASP 176 N 0.59 0.00 -0.30 0.19 3.32 -1.40 -3.19 116.42 115.63 3i86 h ASP 176 Ca 0.11 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.14 3i86 h ASP 176 Cb 0.49 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.02 3i86 h ASP 176 CO 0.03 0.89 0.14 1.56 -1.72 0.00 0.00 179.24 180.13 3i86 h GLN 177 N 0.00 0.49 -0.89 3.56 4.20 -0.35 -2.40 115.11 119.71 3i86 h GLN 177 Ca -0.09 -0.06 0.13 0.00 0.06 0.00 0.00 58.65 58.70 3i86 h GLN 177 Cb 1.75 -0.09 -0.07 0.00 0.30 0.00 0.00 27.48 29.37 3i86 h GLN 177 CO 0.10 0.41 0.58 -0.92 -0.67 0.00 0.00 178.83 178.32 3i86 h TYR 178 N 0.49 0.86 -0.66 2.96 3.20 -0.91 -1.83 116.97 121.09 3i86 h TYR 178 Ca 0.12 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.02 3i86 h TYR 178 Cb 0.10 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.10 3i86 h TYR 178 CO 0.00 0.34 0.00 0.09 -1.64 0.00 0.00 178.16 176.95 3i86 n ASN 179 N -4.56 4.59 -0.59 -2.11 3.02 -0.92 -4.51 115.26 110.18 3i86 n ASN 179 Ca 0.17 -2.37 0.12 0.00 -0.03 0.00 0.00 54.58 52.47 3i86 n ASN 179 Cb 0.43 -0.57 0.40 0.00 -0.61 0.00 0.00 39.78 39.44 3i86 n ASN 179 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i86 n ALA 180 N 1.20 2.53 -3.00 5.41 0.00 -0.69 -4.92 120.51 121.04 3i86 n ALA 180 Ca 0.25 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 53.16 3i86 n ALA 180 Cb 0.84 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 19.21 3i86 n ALA 180 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i86 n GLY 181 N 1.18 3.17 3.78 0.00 0.00 -1.26 -4.85 105.19 107.22 3i86 n GLY 181 Ca 0.17 -0.90 -0.39 0.00 0.00 0.00 0.00 46.02 44.91 3i86 n GLY 181 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3i86 s ARG 182 N 0.53 4.36 0.03 1.61 3.52 -0.68 -4.77 118.95 123.56 3i86 s ARG 182 Ca 0.00 0.89 -0.30 0.00 -0.13 0.00 0.00 55.73 56.19 3i86 s ARG 182 Cb 0.00 -3.29 -0.05 0.00 -1.56 0.00 0.00 34.95 30.06 3i86 s ARG 182 CO 0.00 0.51 1.12 -1.01 -0.81 0.00 0.00 175.30 175.11 3i86 s HIS 183 N -0.76 3.51 -0.09 5.12 3.76 -1.26 -0.88 115.29 124.69 3i86 s HIS 183 Ca 0.32 1.45 0.02 0.00 -0.15 0.00 0.00 55.06 56.70 3i86 s HIS 183 Cb -0.20 -3.31 -0.02 0.00 1.11 0.00 0.00 32.58 30.16 3i86 s HIS 183 CO 0.21 -0.81 -0.16 0.42 -0.85 0.00 0.00 174.74 173.55 3i86 s ILE 184 N 1.09 2.81 0.43 0.60 -1.09 -0.38 -4.95 121.20 119.70 3i86 s ILE 184 Ca 0.56 -0.78 -0.26 0.00 -2.23 0.00 0.00 60.65 57.95 3i86 s ILE 184 Cb -0.26 -2.13 -0.09 0.00 -1.58 0.00 0.00 42.46 38.41 3i86 s ILE 184 CO 0.28 0.55 1.41 -2.84 -1.23 0.00 0.00 174.94 173.12 3i86 s PRO 185 N -0.03 3.82 0.36 2.79 0.02 -1.26 -1.02 135.00 139.67 3i86 s PRO 185 Ca -0.04 2.38 0.18 0.00 0.02 0.00 0.00 61.00 63.54 3i86 s PRO 185 Cb -0.14 -2.73 1.23 0.00 0.02 0.00 0.00 34.50 32.88 3i86 s PRO 185 CO 0.04 -0.70 1.61 1.96 -0.33 0.00 0.00 177.00 179.59 3i86 h GLN 186 N 2.52 0.12 -0.01 5.54 1.08 -1.96 0.19 115.11 122.59 3i86 h GLN 186 Ca -0.51 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 56.69 3i86 h GLN 186 Cb 1.26 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.66 3i86 h GLN 186 CO 0.62 0.08 0.00 -0.40 -0.95 0.00 0.00 178.83 178.18 3i86 n ASP 187 N -5.19 0.21 -0.13 1.46 5.75 -1.26 -2.26 116.55 115.13 3i86 n ASP 187 Ca 0.35 -1.18 0.01 0.00 -0.01 0.00 0.00 54.79 53.96 3i86 n ASP 187 Cb 1.16 -0.00 0.03 0.00 -1.03 0.00 0.00 41.12 41.28 3i86 n ASP 187 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3i86 n GLN 188 N -0.78 2.94 -1.63 0.11 6.02 0.04 -5.06 117.38 119.03 3i86 n GLN 188 Ca 0.21 -1.63 -0.43 0.00 -0.01 0.00 0.00 57.00 55.13 3i86 n GLN 188 Cb 0.13 -1.07 -0.01 0.00 1.02 0.00 0.00 30.24 30.32 3i86 n GLN 188 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3i86 n ALA 189 N -0.32 0.35 -3.03 -1.58 0.00 -0.96 -4.92 120.51 110.04 3i86 n ALA 189 Ca 0.03 0.36 -0.12 0.00 0.00 0.00 0.00 53.44 53.70 3i86 n ALA 189 Cb 0.29 -2.11 -0.14 0.00 0.00 0.00 0.00 19.45 17.50 3i86 n ALA 189 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3i86 s ARG 190 N -1.72 0.02 -0.10 0.00 3.52 -1.26 -5.06 118.95 114.35 3i86 s ARG 190 Ca 0.58 0.06 -0.41 0.00 -0.13 0.00 0.00 55.73 55.83 3i86 s ARG 190 Cb -0.64 -0.03 -0.20 0.00 -1.56 0.00 0.00 34.95 32.53 3i86 s ARG 190 CO 0.60 -0.03 1.20 -2.13 -0.81 0.00 0.00 175.30 174.14 3i86 n ARG 191 N 3.25 0.09 0.00 5.12 0.63 -1.26 0.11 116.66 124.61 3i86 n ARG 191 Ca -0.15 0.03 0.00 0.00 -0.92 0.00 0.00 57.85 56.82 3i86 n ARG 191 Cb 0.58 -1.54 0.00 0.00 0.45 0.00 0.00 32.46 31.95 3i86 n ARG 191 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3i86 n GLY 192 N 2.10 3.43 3.76 5.14 0.00 0.35 -4.95 105.19 115.01 3i86 n GLY 192 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 3i86 n GLY 192 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i86 s ASP 193 N -0.77 6.77 0.22 1.61 1.01 0.12 -4.72 116.67 120.90 3i86 s ASP 193 Ca 0.00 2.64 -0.29 0.00 0.71 0.00 0.00 52.55 55.61 3i86 s ASP 193 Cb 0.00 -2.64 -0.09 0.00 1.01 0.00 0.00 42.92 41.21 3i86 s ASP 193 CO 0.00 -0.57 0.89 -0.76 0.21 0.00 0.00 175.17 174.94 3i86 s LEU 194 N -1.20 4.63 -0.13 1.23 1.43 -0.23 -1.00 118.68 123.41 3i86 s LEU 194 Ca 0.52 1.86 -0.02 0.00 -1.03 0.00 0.00 54.13 55.46 3i86 s LEU 194 Cb -0.40 -3.52 -0.03 0.00 0.03 0.00 0.00 46.19 42.28 3i86 s LEU 194 CO 0.48 0.17 -0.05 -0.63 0.23 0.00 0.00 176.35 176.56 3i86 s ILE 195 N -1.17 3.82 0.20 -0.59 1.01 0.14 -1.69 121.20 122.92 3i86 s ILE 195 Ca 0.39 -0.40 0.10 0.00 0.00 0.00 0.00 60.65 60.75 3i86 s ILE 195 Cb -0.25 -2.64 -0.04 0.00 0.01 0.00 0.00 42.46 39.53 3i86 s ILE 195 CO 0.30 0.53 -0.13 -0.36 0.00 0.00 0.00 174.94 175.28 3i86 s PHE 196 N 0.03 2.53 0.04 3.97 0.40 -1.26 -0.87 117.98 122.82 3i86 s PHE 196 Ca -0.00 -0.26 0.03 0.00 -0.60 0.00 0.00 56.93 56.10 3i86 s PHE 196 Cb -0.13 -1.22 -0.02 0.00 0.51 0.00 0.00 43.02 42.15 3i86 s PHE 196 CO 0.03 0.53 -0.11 0.71 0.70 0.00 0.00 175.22 177.09 3i86 s TYR 197 N -1.81 0.92 0.03 0.36 2.02 -0.05 -1.38 117.35 117.43 3i86 s TYR 197 Ca 0.25 -0.40 0.00 0.00 -0.37 0.00 0.00 57.07 56.55 3i86 s TYR 197 Cb -0.08 -0.54 0.00 0.00 -0.40 0.00 0.00 41.96 40.94 3i86 s TYR 197 CO 0.14 -0.01 0.00 0.41 -1.57 0.00 0.00 175.55 174.52 3i86 n GLY 198 N 1.73 -2.67 3.68 0.71 0.00 0.35 -1.36 105.19 107.64 3i86 n GLY 198 Ca -0.20 -1.42 -0.51 0.00 0.00 0.00 0.00 46.02 43.89 3i86 n GLY 198 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3i86 n PRO 199 N -2.08 1.83 -1.69 1.61 -0.02 -1.26 0.38 135.00 133.76 3i86 n PRO 199 Ca -0.00 0.67 -0.17 0.00 -2.02 0.00 0.00 63.50 61.97 3i86 n PRO 199 Cb 0.03 -2.44 -0.06 0.00 -0.02 0.00 0.00 33.50 31.01 3i86 n PRO 199 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i86 n GLY 200 N 4.01 1.17 2.11 -1.23 0.00 -1.26 -2.31 105.19 107.68 3i86 n GLY 200 Ca 0.22 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.20 3i86 n GLY 200 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i86 n GLY 201 N -0.45 0.49 0.08 -0.02 0.00 0.16 -4.47 105.19 100.99 3i86 n GLY 201 Ca -0.18 -0.80 0.11 0.00 0.00 0.00 0.00 46.02 45.16 3i86 n GLY 201 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i86 n SER 202 N 1.23 0.47 -0.14 1.61 3.41 -0.98 -3.37 113.62 115.85 3i86 n SER 202 Ca -0.05 0.59 -0.30 0.00 -0.26 0.00 0.00 58.87 58.85 3i86 n SER 202 Cb 0.31 -0.70 -0.10 0.00 -0.26 0.00 0.00 64.21 63.47 3i86 n SER 202 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 3i86 n GLN 203 N -1.99 0.58 -3.93 4.33 7.27 -0.46 -4.78 117.38 118.40 3i86 n GLN 203 Ca 0.04 0.26 -0.10 0.00 0.07 0.00 0.00 57.00 57.27 3i86 n GLN 203 Cb 0.28 -1.48 -0.10 0.00 2.41 0.00 0.00 30.24 31.35 3i86 n GLN 203 CO 0.00 0.00 0.00 -1.01 0.07 0.00 0.00 177.06 176.12 3i86 s HIS 204 N -2.50 0.17 -0.03 3.69 3.76 -0.99 -4.97 115.29 114.42 3i86 s HIS 204 Ca -0.39 -0.39 -0.02 0.00 -0.15 0.00 0.00 55.06 54.11 3i86 s HIS 204 Cb 0.15 -0.13 0.02 0.00 1.11 0.00 0.00 32.58 33.72 3i86 s HIS 204 CO 0.48 -0.28 0.07 0.54 -0.85 0.00 0.00 174.74 174.70 3i86 s VAL 205 N -1.85 -0.02 0.10 -0.90 0.11 -1.26 -0.87 120.40 115.72 3i86 s VAL 205 Ca -0.12 0.07 -0.01 0.00 -2.93 0.00 0.00 61.98 58.99 3i86 s VAL 205 Cb -0.06 -0.12 -0.04 0.00 -1.53 0.00 0.00 36.38 34.63 3i86 s VAL 205 CO -0.01 0.03 0.03 0.42 -3.33 0.00 0.00 175.10 172.24 3i86 s THR 206 N 0.40 0.14 -0.26 5.04 -4.23 -0.05 -4.56 115.64 112.12 3i86 s THR 206 Ca -0.03 -1.86 -0.11 0.00 -1.18 0.00 0.00 61.69 58.51 3i86 s THR 206 Cb -0.04 -1.85 -0.05 0.00 1.34 0.00 0.00 72.50 71.89 3i86 s THR 206 CO -0.01 -0.65 0.19 -0.32 -0.54 0.00 0.00 174.62 173.29 3i86 s MET 207 N -4.00 4.01 -0.16 3.99 -2.45 -0.06 0.29 119.30 120.92 3i86 s MET 207 Ca 0.18 -0.27 -0.29 0.00 -1.25 0.00 0.00 55.69 54.06 3i86 s MET 207 Cb 0.08 -3.60 -0.02 0.00 1.25 0.00 0.00 34.83 32.53 3i86 s MET 207 CO -0.02 -0.07 1.35 -0.47 1.05 0.00 0.00 175.02 176.85 3i86 s TYR 208 N 1.45 2.65 -1.90 4.11 5.04 -0.17 -0.38 117.35 128.15 3i86 s TYR 208 Ca 0.08 0.83 0.27 0.00 -2.44 0.00 0.00 57.07 55.81 3i86 s TYR 208 Cb -0.15 -3.63 0.81 0.00 0.35 0.00 0.00 41.96 39.35 3i86 s TYR 208 CO 0.08 -2.14 1.60 1.28 -1.34 0.00 0.00 175.55 175.03 3i86 n LEU 209 N 6.85 1.11 0.00 6.97 4.77 -0.25 -0.49 117.00 135.97 3i86 n LEU 209 Ca 0.15 -0.31 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 3i86 n LEU 209 Cb 0.45 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 3i86 n LEU 209 CO 0.58 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.45 3i86 n GLY 210 N 1.31 -1.34 2.39 -0.72 0.00 -1.25 -4.70 105.19 100.88 3i86 n GLY 210 Ca 0.13 -1.59 -0.17 0.00 0.00 0.00 0.00 46.02 44.39 3i86 n GLY 210 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3i86 n ASN 211 N -1.80 -5.07 -1.80 1.61 3.02 -1.26 -2.51 115.26 107.45 3i86 n ASN 211 Ca 0.00 0.14 -0.16 0.00 -0.03 0.00 0.00 54.58 54.53 3i86 n ASN 211 Cb 0.00 -4.13 -0.01 0.00 -0.61 0.00 0.00 39.78 35.03 3i86 n ASN 211 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i86 n GLY 212 N -0.96 -0.27 3.24 7.41 0.00 -1.26 -5.00 105.19 108.34 3i86 n GLY 212 Ca -0.19 -0.23 -0.24 0.00 0.00 0.00 0.00 46.02 45.36 3i86 n GLY 212 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i86 s GLN 213 N -4.81 1.25 0.13 1.61 -1.52 -1.04 -2.06 119.66 113.21 3i86 s GLN 213 Ca 0.01 -0.95 0.03 0.00 -1.95 0.00 0.00 55.36 52.51 3i86 s GLN 213 Cb -0.01 -1.37 -0.04 0.00 -0.22 0.00 0.00 33.01 31.38 3i86 s GLN 213 CO 0.01 0.34 -0.08 0.00 -0.25 0.00 0.00 175.29 175.31 3i86 s MET 214 N -1.31 0.96 -0.15 2.91 0.23 0.17 -1.09 119.30 121.02 3i86 s MET 214 Ca 0.06 -1.40 -0.02 0.00 -1.03 0.00 0.00 55.69 53.30 3i86 s MET 214 Cb -0.09 -0.43 -0.02 0.00 -1.53 0.00 0.00 34.83 32.76 3i86 s MET 214 CO 0.02 0.03 -0.08 -1.17 -2.03 0.00 0.00 175.02 171.79 3i86 s LEU 215 N -3.11 2.98 0.02 0.18 2.96 0.49 -0.95 118.68 121.24 3i86 s LEU 215 Ca 0.15 -0.24 -0.12 0.00 -0.22 0.00 0.00 54.13 53.69 3i86 s LEU 215 Cb 0.04 -1.70 0.02 0.00 0.50 0.00 0.00 46.19 45.04 3i86 s LEU 215 CO -0.02 0.15 0.27 -1.83 -1.32 0.00 0.00 176.35 173.60 3i86 s GLU 216 N 0.46 0.72 0.03 1.98 -1.05 -0.89 -0.89 118.70 119.06 3i86 s GLU 216 Ca -0.06 -0.44 -0.18 0.00 -0.15 0.00 0.00 54.97 54.14 3i86 s GLU 216 Cb -0.15 0.31 -0.21 0.00 -0.44 0.00 0.00 34.13 33.63 3i86 s GLU 216 CO 0.04 -0.21 1.17 0.00 0.95 0.00 0.00 175.26 177.20 3i86 h ALA 217 N 3.53 0.13 -2.65 -0.84 0.00 -1.85 -0.90 119.26 116.69 3i86 h ALA 217 Ca -0.31 -0.58 -0.79 0.00 0.00 0.00 0.00 54.91 53.23 3i86 h ALA 217 Cb 1.19 0.02 -0.28 0.00 0.00 0.00 0.00 17.79 18.72 3i86 h ALA 217 CO 0.45 0.45 0.33 0.45 0.00 0.00 0.00 179.25 180.92 3i86 s SER 218 N -6.86 7.10 0.30 0.00 0.15 -1.26 -2.61 113.70 110.53 3i86 s SER 218 Ca -0.12 -3.41 0.07 0.00 0.70 0.00 0.00 55.95 53.19 3i86 s SER 218 Cb 0.05 -2.19 -0.03 0.00 -1.71 0.00 0.00 66.02 62.15 3i86 s SER 218 CO 0.85 -0.34 0.31 -0.83 1.20 0.00 0.00 173.24 174.43 3i86 s GLY 219 N 1.40 1.58 0.11 9.45 0.00 -1.12 -4.92 107.32 113.82 3i86 s GLY 219 Ca 0.28 -1.50 -0.34 0.00 0.00 0.00 0.00 44.72 43.15 3i86 s GLY 219 CO -0.08 -1.47 0.95 -1.26 0.00 0.00 0.00 173.10 171.24 3i86 n SER 220 N -1.38 0.09 0.00 1.64 2.88 -1.26 0.14 113.62 115.73 3i86 n SER 220 Ca -0.04 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.65 3i86 n SER 220 Cb 0.59 -1.03 0.00 0.00 -0.75 0.00 0.00 64.21 63.02 3i86 n SER 220 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3i86 n ALA 221 N 1.09 0.00 -4.12 -1.46 0.00 -1.26 -4.50 120.51 110.26 3i86 n ALA 221 Ca 0.18 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 53.17 3i86 n ALA 221 Cb 0.18 -0.17 0.00 0.00 0.00 0.00 0.00 19.45 19.47 3i86 n ALA 221 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i86 n GLY 222 N -2.91 -0.72 3.14 0.00 0.00 0.37 -4.82 105.19 100.25 3i86 n GLY 222 Ca 0.00 0.30 -0.09 0.00 0.00 0.00 0.00 46.02 46.23 3i86 n GLY 222 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i86 s LYS 223 N -7.45 0.67 0.19 1.61 1.02 -1.17 0.12 119.74 114.73 3i86 s LYS 223 Ca 0.43 -0.87 -0.32 0.00 0.02 0.00 0.00 55.97 55.23 3i86 s LYS 223 Cb -0.24 0.26 -0.12 0.00 -0.52 0.00 0.00 37.83 37.22 3i86 s LYS 223 CO 0.96 -0.18 1.74 0.08 -0.92 0.00 0.00 175.35 177.04 3i86 s VAL 224 N -3.15 2.12 0.34 3.17 1.01 0.03 -2.78 120.40 121.14 3i86 s VAL 224 Ca -0.00 0.02 -0.11 0.00 0.00 0.00 0.00 61.98 61.89 3i86 s VAL 224 Cb 0.02 -3.01 0.05 0.00 0.00 0.00 0.00 36.38 33.43 3i86 s VAL 224 CO -0.07 0.00 0.65 1.07 0.00 0.00 0.00 175.10 176.75 3i86 n THR 225 N 4.13 0.00 -4.00 3.92 5.66 -0.34 -1.08 114.28 122.57 3i86 n THR 225 Ca 0.16 -0.95 -0.35 0.00 -3.05 0.00 0.00 64.05 59.86 3i86 n THR 225 Cb 0.36 0.87 -0.13 0.00 -1.55 0.00 0.00 70.33 69.87 3i86 n THR 225 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 3i86 s VAL 226 N -2.29 3.65 0.17 1.08 1.01 -1.26 -2.10 120.40 120.66 3i86 s VAL 226 Ca 0.15 -0.41 0.07 0.00 0.00 0.00 0.00 61.98 61.80 3i86 s VAL 226 Cb -0.04 -2.66 -0.04 0.00 0.00 0.00 0.00 36.38 33.64 3i86 s VAL 226 CO 0.11 0.42 -0.14 -0.44 0.00 0.00 0.00 175.10 175.05 3i86 s SER 227 N 1.27 2.38 0.55 3.32 0.01 -0.13 -4.95 113.70 116.15 3i86 s SER 227 Ca 0.03 -0.95 -0.21 0.00 1.31 0.00 0.00 55.95 56.13 3i86 s SER 227 Cb -0.14 -0.11 -0.05 0.00 0.21 0.00 0.00 66.02 65.93 3i86 s SER 227 CO -0.00 -0.16 1.25 -2.84 0.41 0.00 0.00 173.24 171.90 3i86 s PRO 228 N -3.33 3.20 0.29 12.44 0.02 -1.26 0.42 135.00 146.78 3i86 s PRO 228 Ca 0.18 1.97 -0.30 0.00 0.02 0.00 0.00 61.00 62.87 3i86 s PRO 228 Cb -0.02 -2.15 -0.11 0.00 0.02 0.00 0.00 34.50 32.24 3i86 s PRO 228 CO 0.05 -1.06 1.46 0.08 -0.33 0.00 0.00 177.00 177.20 3i86 s VAL 229 N -1.47 2.44 0.04 3.83 1.01 -0.88 -4.70 120.40 120.68 3i86 s VAL 229 Ca 0.72 0.39 0.01 0.00 0.00 0.00 0.00 61.98 63.11 3i86 s VAL 229 Cb -0.34 -3.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 3i86 s VAL 229 CO 0.39 0.07 0.11 -0.13 0.00 0.00 0.00 175.10 175.54 3i86 s ARG 230 N -0.85 3.09 -0.18 2.72 0.52 -1.26 -5.02 118.95 117.96 3i86 s ARG 230 Ca 0.58 -0.55 -0.15 0.00 -0.52 0.00 0.00 55.73 55.09 3i86 s ARG 230 Cb -0.44 -2.86 -0.21 0.00 0.52 0.00 0.00 34.95 31.97 3i86 s ARG 230 CO 0.49 0.61 0.20 1.63 0.02 0.00 0.00 175.30 178.25 3i86 n LYS 231 N 0.70 0.64 -1.66 3.54 4.76 -1.26 -4.74 118.16 120.14 3i86 n LYS 231 Ca -0.09 0.42 -0.47 0.00 -2.87 0.00 0.00 58.31 55.30 3i86 n LYS 231 Cb 0.52 -1.70 -0.04 0.00 -1.84 0.00 0.00 35.03 31.96 3i86 n LYS 231 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 3i86 n PRO 232 N -4.03 2.04 -0.17 1.97 -0.02 -1.26 -2.66 135.00 130.87 3i86 n PRO 232 Ca -0.35 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 3i86 n PRO 232 Cb 0.84 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 3i86 n PRO 232 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i86 n GLY 233 N 3.43 1.75 3.73 -1.23 0.00 -1.26 -4.94 105.19 106.67 3i86 n GLY 233 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3i86 n GLY 233 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3i86 s MET 234 N -0.32 4.25 0.44 1.61 0.00 -1.09 -0.50 119.30 123.70 3i86 s MET 234 Ca 0.00 2.29 -0.22 0.00 0.00 0.00 0.00 55.69 57.76 3i86 s MET 234 Cb 0.00 -3.15 -0.08 0.00 0.00 0.00 0.00 34.83 31.60 3i86 s MET 234 CO 0.00 -0.50 1.07 0.95 0.00 0.00 0.00 175.02 176.53 3i86 s THR 235 N 0.66 3.63 0.34 10.11 -4.23 -0.48 -4.86 115.64 120.81 3i86 s THR 235 Ca 0.65 1.15 0.10 0.00 -1.18 0.00 0.00 61.69 62.41 3i86 s THR 235 Cb -0.42 -3.55 0.33 0.00 1.34 0.00 0.00 72.50 70.20 3i86 s THR 235 CO 0.36 -0.09 1.78 -0.65 -0.54 0.00 0.00 174.62 175.49 3i86 h PRO 236 N 2.06 0.61 -6.52 3.99 0.11 -1.93 -3.43 132.00 126.90 3i86 h PRO 236 Ca -0.49 -0.04 -0.67 0.00 0.11 0.00 0.00 66.00 64.91 3i86 h PRO 236 Cb 1.22 -0.14 -0.18 0.00 0.11 0.00 0.00 31.00 32.02 3i86 h PRO 236 CO 0.61 0.40 -0.75 -0.06 -0.21 0.00 0.00 178.00 177.99 3i86 s PHE 237 N -5.72 2.71 0.71 0.65 0.08 -1.26 -3.96 117.98 111.19 3i86 s PHE 237 Ca -0.10 -0.17 -0.06 0.00 0.12 0.00 0.00 56.93 56.72 3i86 s PHE 237 Cb 0.25 -1.47 0.07 0.00 -0.57 0.00 0.00 43.02 41.30 3i86 s PHE 237 CO 0.80 0.37 1.01 -0.51 -0.10 0.00 0.00 175.22 176.79 3i86 s LEU 238 N -1.85 2.86 -0.12 -0.37 1.02 -0.19 -4.51 118.68 115.52 3i86 s LEU 238 Ca 0.19 0.34 0.01 0.00 0.02 0.00 0.00 54.13 54.68 3i86 s LEU 238 Cb -0.11 -2.95 0.02 0.00 0.02 0.00 0.00 46.19 43.17 3i86 s LEU 238 CO 0.10 -1.66 -0.13 -0.89 0.02 0.00 0.00 176.35 173.79 3i86 s THR 239 N -3.24 1.41 -0.23 5.49 2.01 -0.68 -1.25 115.64 119.14 3i86 s THR 239 Ca 0.61 -0.56 -0.17 0.00 0.31 0.00 0.00 61.69 61.89 3i86 s THR 239 Cb -0.10 -1.32 -0.03 0.00 0.01 0.00 0.00 72.50 71.05 3i86 s THR 239 CO 0.45 0.43 0.44 -0.60 -0.69 0.00 0.00 174.62 174.65 3i86 s ARG 240 N 1.31 4.12 -0.20 4.92 3.52 -0.05 -1.06 118.95 131.49 3i86 s ARG 240 Ca -0.00 0.24 -0.13 0.00 -0.13 0.00 0.00 55.73 55.70 3i86 s ARG 240 Cb -0.14 -3.59 -0.19 0.00 -1.56 0.00 0.00 34.95 29.47 3i86 s ARG 240 CO -0.06 -0.18 0.09 -0.89 -0.81 0.00 0.00 175.30 173.45 3i86 n ILE 241 N 4.73 1.60 -3.74 4.11 2.08 -1.26 -1.69 119.36 125.19 3i86 n ILE 241 Ca -0.07 -0.33 -0.38 0.00 0.56 0.00 0.00 62.75 62.53 3i86 n ILE 241 Cb 0.51 -1.85 -0.12 0.00 -0.75 0.00 0.00 39.64 37.42 3i86 n ILE 241 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 3i86 s ILE 242 N -2.46 4.02 -0.49 1.39 1.01 -1.26 -4.92 121.20 118.48 3i86 s ILE 242 Ca -0.30 -0.78 0.00 0.00 0.00 0.00 0.00 60.65 59.57 3i86 s ILE 242 Cb 0.08 -3.13 0.00 0.00 0.01 0.00 0.00 42.46 39.43 3i86 s ILE 242 CO 0.62 -0.00 0.71 -0.62 0.00 0.00 0.00 174.94 175.65 3i86 n GLU 243 N 4.87 0.95 0.00 2.79 -0.58 -1.26 -5.00 120.64 122.41 3i86 n GLU 243 Ca -0.14 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.60 3i86 n GLU 243 Cb 0.47 -1.25 0.00 0.00 -0.57 0.00 0.00 31.44 30.09 3i86 n GLU 243 CO 0.00 0.00 0.00 2.48 -0.48 0.00 0.00 177.13 179.13