#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jk3 n PRO 107 N 0.00 2.50 -4.11 1.61 -0.02 -1.26 -5.04 135.00 128.68 1jk3 n PRO 107 Ca 0.00 0.88 -0.10 0.00 -2.02 0.00 0.00 63.50 62.26 1jk3 n PRO 107 Cb 0.00 -2.56 -0.10 0.00 -0.02 0.00 0.00 33.50 30.82 1jk3 n PRO 107 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1jk3 s VAL 108 N -1.10 0.45 0.22 -1.45 -7.23 -1.26 -4.45 120.40 105.58 1jk3 s VAL 108 Ca 0.54 -1.65 -0.30 0.00 -1.81 0.00 0.00 61.98 58.76 1jk3 s VAL 108 Cb -0.51 -1.30 -0.09 0.00 0.56 0.00 0.00 36.38 35.04 1jk3 s VAL 108 CO 0.63 -0.79 1.32 0.26 -0.31 0.00 0.00 175.10 176.20 1jk3 s TRP 109 N -3.12 3.22 -0.45 2.82 0.52 -1.26 -4.89 118.94 115.77 1jk3 s TRP 109 Ca 0.04 1.24 0.04 0.00 0.02 0.00 0.00 56.10 57.44 1jk3 s TRP 109 Cb 0.02 -3.62 0.54 0.00 -1.15 0.00 0.00 33.47 29.26 1jk3 s TRP 109 CO -0.05 -1.92 1.74 0.54 0.02 0.00 0.00 176.95 177.29 1jk3 n ARG 110 N 2.32 2.39 -3.63 4.98 5.12 -1.26 -4.94 116.66 121.65 1jk3 n ARG 110 Ca 0.05 -3.26 -0.10 0.00 -1.93 0.00 0.00 57.85 52.60 1jk3 n ARG 110 Cb 0.42 -2.12 -0.04 0.00 -1.16 0.00 0.00 32.46 29.56 1jk3 n ARG 110 CO 0.00 0.00 0.00 -1.59 -1.93 0.00 0.00 177.63 174.11 1jk3 s LYS 111 N -3.46 1.10 -0.07 5.56 -2.85 -1.26 -5.09 119.74 113.67 1jk3 s LYS 111 Ca 0.55 -0.71 0.20 0.00 -1.00 0.00 0.00 55.97 55.01 1jk3 s LYS 111 Cb 0.46 0.48 -0.27 0.00 -2.06 0.00 0.00 37.83 36.44 1jk3 s LYS 111 CO 0.04 -0.44 0.39 0.72 0.10 0.00 0.00 175.35 176.16 1jk3 n HIS 112 N -0.24 0.17 -3.43 1.78 8.25 -1.26 -4.83 115.22 115.66 1jk3 n HIS 112 Ca -0.16 0.06 -0.40 0.00 -0.26 0.00 0.00 57.72 56.96 1jk3 n HIS 112 Cb 0.64 -0.79 -0.10 0.00 1.12 0.00 0.00 29.99 30.87 1jk3 n HIS 112 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1jk3 s TYR 113 N -3.04 3.22 -0.02 4.41 1.51 -1.26 -1.00 117.35 121.16 1jk3 s TYR 113 Ca -0.08 0.05 0.06 0.00 -1.01 0.00 0.00 57.07 56.10 1jk3 s TYR 113 Cb 0.10 -2.61 -0.02 0.00 -0.11 0.00 0.00 41.96 39.32 1jk3 s TYR 113 CO 0.86 -0.36 -0.21 0.42 -1.11 0.00 0.00 175.55 175.15 1jk3 s ILE 114 N 1.98 2.49 0.13 2.71 -1.09 -0.00 -4.99 121.20 122.43 1jk3 s ILE 114 Ca 0.11 -0.98 0.06 0.00 -2.23 0.00 0.00 60.65 57.62 1jk3 s ILE 114 Cb -0.16 -1.93 -0.04 0.00 -1.58 0.00 0.00 42.46 38.75 1jk3 s ILE 114 CO 0.11 0.56 -0.03 0.42 -1.23 0.00 0.00 174.94 174.77 1jk3 s THR 115 N -0.69 3.69 0.10 2.92 -4.23 -1.26 -1.40 115.64 114.78 1jk3 s THR 115 Ca 0.11 -1.25 0.03 0.00 -1.18 0.00 0.00 61.69 59.40 1jk3 s THR 115 Cb -0.10 -2.79 -0.04 0.00 1.34 0.00 0.00 72.50 70.91 1jk3 s THR 115 CO 0.00 0.03 -0.08 -0.72 -0.54 0.00 0.00 174.62 173.31 1jk3 s TYR 116 N -1.44 0.98 -0.02 3.99 -0.85 -0.31 -1.36 117.35 118.33 1jk3 s TYR 116 Ca 0.25 -0.79 -0.02 0.00 -0.52 0.00 0.00 57.07 55.98 1jk3 s TYR 116 Cb -0.11 -0.54 0.01 0.00 0.38 0.00 0.00 41.96 41.70 1jk3 s TYR 116 CO 0.17 -0.07 0.06 0.50 -1.52 0.00 0.00 175.55 174.70 1jk3 s ARG 117 N -3.40 0.09 -0.46 -3.49 3.52 -0.65 -0.82 118.95 113.74 1jk3 s ARG 117 Ca 0.10 0.05 -0.16 0.00 -0.13 0.00 0.00 55.73 55.58 1jk3 s ARG 117 Cb 0.02 0.04 0.05 0.00 -1.56 0.00 0.00 34.95 33.50 1jk3 s ARG 117 CO -0.02 -0.01 0.42 0.42 -0.81 0.00 0.00 175.30 175.30 1jk3 s ILE 118 N -0.06 5.16 0.17 4.11 1.01 -1.26 -0.61 121.20 129.73 1jk3 s ILE 118 Ca -0.01 -0.80 -0.10 0.00 0.00 0.00 0.00 60.65 59.74 1jk3 s ILE 118 Cb -0.01 -4.11 0.06 0.00 0.01 0.00 0.00 42.46 38.41 1jk3 s ILE 118 CO 0.00 -0.55 1.65 -1.13 0.00 0.00 0.00 174.94 174.91 1jk3 h ASN 119 N 8.77 0.96 -5.08 3.58 -1.24 -1.06 -3.46 115.58 118.05 1jk3 h ASN 119 Ca -0.28 -0.28 -0.01 0.00 0.71 0.00 0.00 56.30 56.45 1jk3 h ASN 119 Cb 1.11 -0.26 -0.09 0.00 0.73 0.00 0.00 38.32 39.81 1jk3 h ASN 119 CO 0.85 1.00 0.07 0.54 -1.29 0.00 0.00 177.43 178.60 1jk3 s ASN 120 N -6.43 -0.26 -0.07 1.15 4.22 -1.26 -5.06 114.94 107.24 1jk3 s ASN 120 Ca -0.12 -0.54 0.05 0.00 -2.14 0.00 0.00 52.86 50.11 1jk3 s ASN 120 Cb 0.13 0.61 -0.00 0.00 1.28 0.00 0.00 41.25 43.27 1jk3 s ASN 120 CO 0.84 -1.12 -0.23 -0.31 -2.04 0.00 0.00 177.10 174.23 1jk3 s TYR 121 N -3.89 2.39 0.30 1.54 2.02 -1.26 -4.43 117.35 114.01 1jk3 s TYR 121 Ca 0.11 -0.83 -0.29 0.00 -0.37 0.00 0.00 57.07 55.68 1jk3 s TYR 121 Cb -0.02 -1.59 -0.11 0.00 -0.40 0.00 0.00 41.96 39.85 1jk3 s TYR 121 CO 0.00 -0.30 1.46 -0.08 -1.57 0.00 0.00 175.55 175.07 1jk3 s THR 122 N 0.09 2.42 -1.78 -0.71 -1.32 -1.26 -4.89 115.64 108.18 1jk3 s THR 122 Ca -0.10 0.37 0.24 0.00 -1.21 0.00 0.00 61.69 60.99 1jk3 s THR 122 Cb -0.15 -3.24 0.59 0.00 -1.51 0.00 0.00 72.50 68.19 1jk3 s THR 122 CO 0.06 0.07 1.82 -0.81 -2.21 0.00 0.00 174.62 173.54 1jk3 n PRO 123 N 1.72 0.61 0.24 7.08 -0.04 -1.26 -3.37 135.00 139.99 1jk3 n PRO 123 Ca 0.05 0.02 0.13 0.00 -0.04 0.00 0.00 63.50 63.67 1jk3 n PRO 123 Cb 0.40 -1.50 0.49 0.00 -0.04 0.00 0.00 33.50 32.85 1jk3 n PRO 123 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1jk3 h ASP 124 N 0.00 0.00 -3.96 3.54 3.45 -1.90 -3.46 116.42 114.09 1jk3 h ASP 124 Ca 0.00 0.00 -0.33 0.00 0.43 0.00 0.00 57.03 57.13 1jk3 h ASP 124 Cb 0.08 0.00 -0.15 0.00 -0.56 0.00 0.00 39.33 38.71 1jk3 h ASP 124 CO 0.00 0.09 -0.71 -0.04 -1.57 0.00 0.00 179.24 177.01 1jk3 s MET 125 N -3.55 1.09 0.35 3.56 -1.94 -1.22 -4.84 119.30 112.75 1jk3 s MET 125 Ca 0.02 -1.47 -0.28 0.00 -1.71 0.00 0.00 55.69 52.25 1jk3 s MET 125 Cb 0.09 -0.62 -0.10 0.00 2.01 0.00 0.00 34.83 36.20 1jk3 s MET 125 CO 0.60 0.06 1.31 -0.80 -0.01 0.00 0.00 175.02 176.19 1jk3 s ASN 126 N -3.18 6.66 0.21 3.03 0.01 -1.26 -4.91 114.94 115.51 1jk3 s ASN 126 Ca 0.18 2.70 -0.10 0.00 -0.71 0.00 0.00 52.86 54.93 1jk3 s ASN 126 Cb 0.03 -2.65 0.31 0.00 0.41 0.00 0.00 41.25 39.35 1jk3 s ASN 126 CO 0.01 -0.61 1.70 -0.09 -1.51 0.00 0.00 177.10 176.60 1jk3 h ARG 127 N 3.22 0.24 -0.00 -0.60 2.43 -1.99 -0.68 114.38 117.00 1jk3 h ARG 127 Ca -0.49 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 58.61 1jk3 h ARG 127 Cb 1.23 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.72 1jk3 h ARG 127 CO 0.65 0.16 -0.24 1.05 -1.51 0.00 0.00 179.97 180.08 1jk3 h GLU 128 N 0.25 0.00 -0.06 0.20 4.11 -1.99 -1.74 114.58 115.35 1jk3 h GLU 128 Ca 0.32 -0.00 -0.18 0.00 0.07 0.00 0.00 59.36 59.58 1jk3 h GLU 128 Cb 0.49 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1jk3 h GLU 128 CO -0.42 0.24 -0.73 -0.44 0.07 0.00 0.00 179.01 177.73 1jk3 h ASP 129 N 0.00 0.37 -0.03 3.06 3.32 -1.52 -1.26 116.42 120.37 1jk3 h ASP 129 Ca -0.00 -0.25 -0.00 0.00 0.02 0.00 0.00 57.03 56.80 1jk3 h ASP 129 Cb 0.42 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.86 1jk3 h ASP 129 CO 0.03 0.98 0.01 0.58 -1.72 0.00 0.00 179.24 179.12 1jk3 h VAL 130 N 0.21 1.12 -0.46 -1.35 2.07 -0.87 -0.91 116.25 116.06 1jk3 h VAL 130 Ca -0.03 -0.36 0.06 0.00 0.82 0.00 0.00 66.70 67.19 1jk3 h VAL 130 Cb 1.30 1.31 -0.05 0.00 -1.52 0.00 0.00 31.29 32.33 1jk3 h VAL 130 CO 0.12 0.10 0.17 0.44 0.02 0.00 0.00 177.57 178.42 1jk3 h ASP 131 N -0.10 0.19 -0.42 0.57 3.32 -1.25 -1.94 116.42 116.78 1jk3 h ASP 131 Ca 0.01 0.05 -0.07 0.00 0.02 0.00 0.00 57.03 57.04 1jk3 h ASP 131 Cb 0.15 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 1jk3 h ASP 131 CO -0.00 0.14 -0.00 0.22 -1.72 0.00 0.00 179.24 177.87 1jk3 h TYR 132 N 0.35 0.81 -0.45 4.55 3.20 -1.14 -0.88 116.97 123.41 1jk3 h TYR 132 Ca 0.22 -0.14 0.00 0.00 3.14 0.00 0.00 58.73 61.95 1jk3 h TYR 132 Cb 0.21 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.25 1jk3 h TYR 132 CO -0.15 0.81 0.29 0.00 -1.64 0.00 0.00 178.16 177.47 1jk3 h ALA 133 N 0.89 0.57 -0.21 1.82 0.00 -0.91 0.70 119.26 122.12 1jk3 h ALA 133 Ca 0.12 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1jk3 h ALA 133 Cb 0.49 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1jk3 h ALA 133 CO 0.02 0.03 -0.05 0.82 0.00 0.00 0.00 179.25 180.08 1jk3 h ILE 134 N 0.60 1.28 -0.44 0.00 1.08 -1.27 -1.45 117.51 117.30 1jk3 h ILE 134 Ca 0.16 -1.02 0.06 0.00 -0.39 0.00 0.00 64.86 63.67 1jk3 h ILE 134 Cb -0.05 1.53 -0.05 0.00 -3.07 0.00 0.00 36.82 35.18 1jk3 h ILE 134 CO -0.03 0.31 0.14 -0.09 -0.69 0.00 0.00 178.15 177.78 1jk3 h ARG 135 N 0.12 0.28 -0.38 2.37 2.43 -0.93 -1.55 114.38 116.74 1jk3 h ARG 135 Ca 0.05 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.13 1jk3 h ARG 135 Cb 0.49 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.96 1jk3 h ARG 135 CO 0.02 0.19 -0.07 0.87 -1.51 0.00 0.00 179.97 179.46 1jk3 h LYS 136 N 0.29 0.63 -0.62 0.20 1.79 -0.77 -1.56 116.57 116.53 1jk3 h LYS 136 Ca 0.21 -0.18 -0.06 0.00 -2.18 0.00 0.00 60.65 58.45 1jk3 h LYS 136 Cb 0.23 -0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 30.78 1jk3 h LYS 136 CO -0.24 0.71 0.16 0.00 -1.08 0.00 0.00 179.45 179.00 1jk3 h ALA 137 N 1.33 0.81 -0.78 3.86 0.00 -0.77 -2.24 119.26 121.48 1jk3 h ALA 137 Ca 0.11 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1jk3 h ALA 137 Cb 0.48 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1jk3 h ALA 137 CO 0.03 0.51 0.30 0.74 0.00 0.00 0.00 179.25 180.82 1jk3 h PHE 138 N 0.90 1.20 -0.67 0.00 -1.00 -1.00 -2.75 116.94 113.62 1jk3 h PHE 138 Ca 0.20 -0.10 0.04 0.00 2.81 0.00 0.00 57.97 60.91 1jk3 h PHE 138 Cb 0.34 -0.36 -0.04 0.00 3.61 0.00 0.00 35.95 39.50 1jk3 h PHE 138 CO 0.02 0.92 0.44 1.96 -1.61 0.00 0.00 178.31 180.05 1jk3 h GLN 139 N 1.14 0.77 -0.79 1.51 4.20 -0.88 -0.64 115.11 120.41 1jk3 h GLN 139 Ca 0.26 -0.05 0.12 0.00 0.06 0.00 0.00 58.65 59.04 1jk3 h GLN 139 Cb 0.24 -0.17 -0.08 0.00 0.30 0.00 0.00 27.48 27.76 1jk3 h GLN 139 CO -0.02 0.51 0.39 0.28 -0.67 0.00 0.00 178.83 179.32 1jk3 h VAL 140 N 0.79 0.78 0.10 -0.54 2.07 -1.10 -0.56 116.25 117.78 1jk3 h VAL 140 Ca 0.27 -0.21 -0.29 0.00 0.82 0.00 0.00 66.70 67.29 1jk3 h VAL 140 Cb 0.10 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 29.97 1jk3 h VAL 140 CO -0.08 0.11 -1.47 -0.50 0.02 0.00 0.00 177.57 175.65 1jk3 h TRP 141 N 0.61 0.37 0.00 1.57 4.06 -1.34 -3.21 115.95 118.00 1jk3 h TRP 141 Ca 0.41 -0.27 -0.03 0.00 2.06 0.00 0.00 58.89 61.07 1jk3 h TRP 141 Cb 0.53 -0.01 -0.00 0.00 -1.00 0.00 0.00 29.16 28.67 1jk3 h TRP 141 CO -0.11 1.30 -0.13 0.66 -3.56 0.00 0.00 178.44 176.61 1jk3 h SER 142 N 0.05 0.00 0.34 -3.49 4.64 -0.89 -2.37 113.55 111.84 1jk3 h SER 142 Ca -0.22 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.08 1jk3 h SER 142 Cb 1.99 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 64.07 1jk3 h SER 142 CO 0.15 0.13 -0.12 0.78 -0.87 0.00 0.00 176.83 176.90 1jk3 h ASN 143 N 0.00 0.00 0.00 4.97 2.35 -1.10 -3.19 115.58 118.61 1jk3 h ASN 143 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1jk3 h ASN 143 Cb 0.37 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.74 1jk3 h ASN 143 CO 0.02 0.12 -0.02 1.33 -1.65 0.00 0.00 177.43 177.23 1jk3 n VAL 144 N -3.72 1.45 -4.14 2.81 0.24 -0.92 -5.04 118.33 109.02 1jk3 n VAL 144 Ca -0.02 -1.67 -0.12 0.00 -2.04 0.00 0.00 64.34 60.48 1jk3 n VAL 144 Cb 0.23 0.08 -0.08 0.00 -1.47 0.00 0.00 33.84 32.61 1jk3 n VAL 144 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1jk3 s THR 145 N -2.03 0.00 -2.00 3.34 -4.23 -1.06 -4.75 115.64 104.91 1jk3 s THR 145 Ca 0.19 -1.79 0.18 0.00 -1.18 0.00 0.00 61.69 59.10 1jk3 s THR 145 Cb 0.16 -2.44 0.53 0.00 1.34 0.00 0.00 72.50 72.09 1jk3 s THR 145 CO 0.02 0.00 1.68 -0.81 -0.54 0.00 0.00 174.62 174.97 1jk3 n PRO 146 N -0.38 0.96 -2.57 3.99 -0.05 -1.26 -4.81 135.00 130.88 1jk3 n PRO 146 Ca 0.02 0.00 -0.35 0.00 -0.05 0.00 0.00 63.50 63.12 1jk3 n PRO 146 Cb 0.64 -1.30 -0.04 0.00 -0.05 0.00 0.00 33.50 32.75 1jk3 n PRO 146 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 175.50 174.94 1jk3 s LEU 147 N -1.60 3.94 -0.05 1.53 1.43 -1.26 -4.92 118.68 117.75 1jk3 s LEU 147 Ca 0.28 1.94 0.06 0.00 -1.03 0.00 0.00 54.13 55.37 1jk3 s LEU 147 Cb 0.13 -4.45 -0.01 0.00 0.03 0.00 0.00 46.19 41.89 1jk3 s LEU 147 CO 0.21 -0.66 -0.23 -0.54 0.23 0.00 0.00 176.35 175.37 1jk3 s LYS 148 N -3.01 2.29 -0.06 1.70 -0.14 -0.17 -4.65 119.74 115.69 1jk3 s LYS 148 Ca 0.64 -0.82 0.05 0.00 -1.36 0.00 0.00 55.97 54.48 1jk3 s LYS 148 Cb -0.17 -1.97 -0.02 0.00 -1.68 0.00 0.00 37.83 33.99 1jk3 s LYS 148 CO 0.21 0.36 -0.21 -0.06 -0.76 0.00 0.00 175.35 174.89 1jk3 s PHE 149 N -0.15 2.55 -0.03 3.18 0.08 -1.26 -0.82 117.98 121.53 1jk3 s PHE 149 Ca -0.02 -0.54 0.02 0.00 0.12 0.00 0.00 56.93 56.51 1jk3 s PHE 149 Cb -0.13 -1.63 0.01 0.00 -0.57 0.00 0.00 43.02 40.70 1jk3 s PHE 149 CO 0.03 -0.09 -0.09 -1.12 -0.10 0.00 0.00 175.22 173.85 1jk3 s SER 150 N -0.28 1.22 0.09 1.36 0.01 -0.49 -4.99 113.70 110.61 1jk3 s SER 150 Ca 0.01 -0.19 -0.27 0.00 1.31 0.00 0.00 55.95 56.80 1jk3 s SER 150 Cb -0.13 -0.37 -0.06 0.00 0.21 0.00 0.00 66.02 65.67 1jk3 s SER 150 CO 0.03 0.05 0.86 -0.75 0.41 0.00 0.00 173.24 173.84 1jk3 s LYS 151 N 0.30 4.60 0.20 12.44 2.20 -1.26 -1.16 119.74 137.06 1jk3 s LYS 151 Ca -0.05 1.26 0.09 0.00 -0.36 0.00 0.00 55.97 56.91 1jk3 s LYS 151 Cb -0.10 -3.36 -0.04 0.00 -1.51 0.00 0.00 37.83 32.82 1jk3 s LYS 151 CO 0.01 0.27 -0.18 0.96 -0.36 0.00 0.00 175.35 176.05 1jk3 s ILE 152 N -0.11 1.97 -0.23 5.43 -4.36 0.00 -4.92 121.20 118.98 1jk3 s ILE 152 Ca 0.42 -2.10 0.02 0.00 -0.26 0.00 0.00 60.65 58.74 1jk3 s ILE 152 Cb -0.22 -2.01 0.00 0.00 1.25 0.00 0.00 42.46 41.48 1jk3 s ILE 152 CO 0.26 -0.39 0.41 0.59 0.24 0.00 0.00 174.94 176.05 1jk3 n ASN 153 N -0.06 0.82 -3.91 4.36 3.02 -1.26 -4.36 115.26 113.86 1jk3 n ASN 153 Ca -0.10 -0.91 -0.09 0.00 -0.03 0.00 0.00 54.58 53.45 1jk3 n ASN 153 Cb 0.58 0.35 -0.08 0.00 -0.61 0.00 0.00 39.78 40.02 1jk3 n ASN 153 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1jk3 s THR 154 N -0.56 0.15 0.00 3.41 -4.23 -1.26 -5.08 115.64 108.08 1jk3 s THR 154 Ca 0.02 -1.21 0.00 0.00 -1.18 0.00 0.00 61.69 59.32 1jk3 s THR 154 Cb 0.02 -1.20 0.00 0.00 1.34 0.00 0.00 72.50 72.66 1jk3 s THR 154 CO 0.05 -0.67 0.00 0.61 -0.54 0.00 0.00 174.62 174.07 1jk3 n GLY 155 N 0.27 -1.91 3.67 3.99 0.00 -1.26 -4.84 105.19 105.11 1jk3 n GLY 155 Ca -0.16 -1.36 -0.39 0.00 0.00 0.00 0.00 46.02 44.11 1jk3 n GLY 155 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1jk3 s MET 156 N -0.09 4.21 0.29 1.61 -2.45 -1.26 -5.07 119.30 116.54 1jk3 s MET 156 Ca 0.00 0.37 0.06 0.00 -1.25 0.00 0.00 55.69 54.87 1jk3 s MET 156 Cb 0.00 -3.54 -0.02 0.00 1.25 0.00 0.00 34.83 32.52 1jk3 s MET 156 CO 0.00 -0.08 0.40 0.00 1.05 0.00 0.00 175.02 176.38 1jk3 s ALA 157 N 1.43 4.05 0.04 4.11 0.00 -1.26 -5.03 121.76 125.09 1jk3 s ALA 157 Ca 0.23 -1.36 -0.24 0.00 0.00 0.00 0.00 51.96 50.59 1jk3 s ALA 157 Cb -0.15 -1.66 -0.17 0.00 0.00 0.00 0.00 23.12 21.14 1jk3 s ALA 157 CO 0.09 0.11 1.53 -0.44 0.00 0.00 0.00 175.76 177.05 1jk3 h ASP 158 N 1.07 0.01 -3.73 0.00 3.45 -1.82 -3.41 116.42 111.98 1jk3 h ASP 158 Ca -0.49 -0.22 -0.68 0.00 0.43 0.00 0.00 57.03 56.07 1jk3 h ASP 158 Cb 1.24 -0.00 -0.33 0.00 -0.56 0.00 0.00 39.33 39.68 1jk3 h ASP 158 CO 0.57 0.23 -0.68 -0.63 -1.57 0.00 0.00 179.24 177.16 1jk3 s ILE 159 N -5.31 3.05 -0.21 0.35 1.01 -0.47 -4.46 121.20 115.17 1jk3 s ILE 159 Ca -0.14 -1.47 -0.17 0.00 0.00 0.00 0.00 60.65 58.87 1jk3 s ILE 159 Cb 0.04 -2.80 -0.03 0.00 0.01 0.00 0.00 42.46 39.67 1jk3 s ILE 159 CO 0.67 -0.19 0.46 -0.22 0.00 0.00 0.00 174.94 175.66 1jk3 s LEU 160 N 1.24 4.13 -0.25 2.97 2.96 -1.26 -1.64 118.68 126.84 1jk3 s LEU 160 Ca -0.03 0.57 -0.14 0.00 -0.22 0.00 0.00 54.13 54.31 1jk3 s LEU 160 Cb -0.20 -2.61 -0.04 0.00 0.50 0.00 0.00 46.19 43.84 1jk3 s LEU 160 CO -0.01 -0.15 0.33 -0.69 -1.32 0.00 0.00 176.35 174.51 1jk3 s VAL 161 N 1.60 5.22 -0.03 1.68 1.01 0.22 -1.01 120.40 129.09 1jk3 s VAL 161 Ca 0.21 0.51 0.03 0.00 0.00 0.00 0.00 61.98 62.73 1jk3 s VAL 161 Cb -0.15 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.57 1jk3 s VAL 161 CO 0.09 0.22 -0.10 -0.69 0.00 0.00 0.00 175.10 174.62 1jk3 s VAL 162 N 1.67 0.89 -0.21 2.92 1.01 -0.38 -0.33 120.40 125.97 1jk3 s VAL 162 Ca 0.14 -0.41 -0.10 0.00 0.00 0.00 0.00 61.98 61.62 1jk3 s VAL 162 Cb -0.15 -0.79 -0.05 0.00 0.00 0.00 0.00 36.38 35.39 1jk3 s VAL 162 CO 0.09 0.28 0.12 -0.36 0.00 0.00 0.00 175.10 175.23 1jk3 s PHE 163 N 0.25 3.34 0.16 5.22 0.40 -1.26 -0.44 117.98 125.64 1jk3 s PHE 163 Ca -0.05 0.23 -0.15 0.00 -0.60 0.00 0.00 56.93 56.36 1jk3 s PHE 163 Cb -0.10 -2.18 0.02 0.00 0.51 0.00 0.00 43.02 41.28 1jk3 s PHE 163 CO 0.01 0.18 0.42 0.00 0.70 0.00 0.00 175.22 176.53 1jk3 s ALA 164 N 0.60 -0.75 0.13 5.36 0.00 -0.54 -4.88 121.76 121.68 1jk3 s ALA 164 Ca 0.07 -0.28 0.06 0.00 0.00 0.00 0.00 51.96 51.81 1jk3 s ALA 164 Cb -0.12 0.78 -0.04 0.00 0.00 0.00 0.00 23.12 23.74 1jk3 s ALA 164 CO 0.01 -0.71 -0.13 -0.98 0.00 0.00 0.00 175.76 173.95 1jk3 s ARG 165 N -3.86 1.05 3.43 0.00 1.70 -1.26 -0.30 118.95 119.71 1jk3 s ARG 165 Ca 0.08 -1.29 0.00 0.00 -0.47 0.00 0.00 55.73 54.05 1jk3 s ARG 165 Cb 0.01 -0.87 0.00 0.00 -0.57 0.00 0.00 34.95 33.52 1jk3 s ARG 165 CO -0.06 0.16 0.00 0.41 -1.08 0.00 0.00 175.30 174.72 1jk3 n GLY 166 N 0.36 2.19 3.67 3.88 0.00 -1.26 -4.30 105.19 109.73 1jk3 n GLY 166 Ca -0.14 -0.35 -0.43 0.00 0.00 0.00 0.00 46.02 45.11 1jk3 n GLY 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jk3 s ALA 167 N -1.58 3.61 -0.05 4.61 0.00 -1.26 -2.08 121.76 125.00 1jk3 s ALA 167 Ca 0.00 0.60 0.25 0.00 0.00 0.00 0.00 51.96 52.80 1jk3 s ALA 167 Cb 0.00 -3.61 0.44 0.00 0.00 0.00 0.00 23.12 19.95 1jk3 s ALA 167 CO 0.00 -1.07 1.16 -2.39 0.00 0.00 0.00 175.76 173.46 1jk3 n HIS 168 N 6.19 0.20 -0.19 0.00 -0.00 -1.26 -5.00 115.22 115.15 1jk3 n HIS 168 Ca 0.13 -0.79 0.00 0.00 -0.00 0.00 0.00 57.72 57.06 1jk3 n HIS 168 Cb 0.45 -0.17 0.00 0.00 -0.00 0.00 0.00 29.99 30.27 1jk3 n HIS 168 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1jk3 n GLY 169 N 0.26 0.89 1.67 -1.39 0.00 -1.26 -5.08 105.19 100.28 1jk3 n GLY 169 Ca 0.07 -0.11 -0.09 0.00 0.00 0.00 0.00 46.02 45.89 1jk3 n GLY 169 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jk3 n ASP 170 N 0.20 -0.52 -0.13 1.61 3.85 -1.26 -5.03 116.55 115.27 1jk3 n ASP 170 Ca 0.00 -2.04 0.10 0.00 -0.71 0.00 0.00 54.79 52.14 1jk3 n ASP 170 Cb 0.00 1.06 0.51 0.00 -1.35 0.00 0.00 41.12 41.34 1jk3 n ASP 170 CO 0.00 0.00 0.00 0.49 -1.01 0.00 0.00 177.20 176.68 1jk3 n PHE 171 N -0.31 0.05 -2.45 2.11 3.01 -1.26 -4.22 117.46 114.39 1jk3 n PHE 171 Ca 0.02 -0.02 -0.28 0.00 1.01 0.00 0.00 57.45 58.18 1jk3 n PHE 171 Cb 0.30 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.77 1jk3 n PHE 171 CO 0.00 0.00 0.00 0.72 1.01 0.00 0.00 176.76 178.49 1jk3 n HIS 172 N -0.53 3.41 -1.59 1.38 8.25 -1.26 -5.05 115.22 119.83 1jk3 n HIS 172 Ca 0.14 -3.09 -0.43 0.00 -0.26 0.00 0.00 57.72 54.08 1jk3 n HIS 172 Cb 0.13 -0.21 -0.00 0.00 1.12 0.00 0.00 29.99 31.02 1jk3 n HIS 172 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1jk3 n ALA 173 N -0.47 -0.11 -1.92 -1.41 0.00 -1.26 -4.96 120.51 110.38 1jk3 n ALA 173 Ca 0.40 0.32 -0.29 0.00 0.00 0.00 0.00 53.44 53.87 1jk3 n ALA 173 Cb 0.60 -2.03 0.05 0.00 0.00 0.00 0.00 19.45 18.07 1jk3 n ALA 173 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1jk3 s PHE 174 N -1.16 3.25 -0.08 0.00 0.08 -0.88 -4.97 117.98 114.22 1jk3 s PHE 174 Ca 0.60 0.93 0.13 0.00 0.12 0.00 0.00 56.93 58.71 1jk3 s PHE 174 Cb -0.64 -3.08 0.25 0.00 -0.57 0.00 0.00 43.02 38.98 1jk3 s PHE 174 CO 0.59 -1.21 1.12 -0.40 -0.10 0.00 0.00 175.22 175.22 1jk3 n ASP 175 N -2.98 1.31 0.00 1.36 3.85 -1.26 -4.27 116.55 114.56 1jk3 n ASP 175 Ca 0.07 -2.74 0.00 0.00 -0.71 0.00 0.00 54.79 51.41 1jk3 n ASP 175 Cb 0.58 -0.36 0.00 0.00 -1.35 0.00 0.00 41.12 39.99 1jk3 n ASP 175 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1jk3 n GLY 176 N -0.64 -2.05 3.77 6.12 0.00 -1.26 -4.84 105.19 106.29 1jk3 n GLY 176 Ca 0.10 -1.44 -0.41 0.00 0.00 0.00 0.00 46.02 44.27 1jk3 n GLY 176 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1jk3 s LYS 177 N 0.00 4.21 0.65 1.61 2.20 -1.26 -4.73 119.74 122.42 1jk3 s LYS 177 Ca 0.00 2.43 0.00 0.00 -0.36 0.00 0.00 55.97 58.04 1jk3 s LYS 177 Cb 0.00 -3.03 0.00 0.00 -1.51 0.00 0.00 37.83 33.29 1jk3 s LYS 177 CO 0.00 -0.43 0.00 0.41 -0.36 0.00 0.00 175.35 174.97 1jk3 n GLY 178 N 1.03 -2.09 7.00 5.54 0.00 -1.26 -4.98 105.19 110.43 1jk3 n GLY 178 Ca 0.02 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.44 1jk3 n GLY 178 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jk3 n GLY 179 N -0.09 3.82 3.70 -0.02 0.00 -1.26 -4.58 105.19 106.76 1jk3 n GLY 179 Ca 0.00 0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 1jk3 n GLY 179 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jk3 s ILE 180 N 0.00 4.00 -0.15 -0.61 1.01 -1.26 -4.93 121.20 119.26 1jk3 s ILE 180 Ca 0.00 1.38 0.13 0.00 0.00 0.00 0.00 60.65 62.16 1jk3 s ILE 180 Cb 0.00 -3.89 -0.24 0.00 0.01 0.00 0.00 42.46 38.34 1jk3 s ILE 180 CO 0.00 0.04 0.25 0.18 0.00 0.00 0.00 174.94 175.41 1jk3 n LEU 181 N 4.81 0.75 -3.55 2.97 4.77 -1.26 -4.70 117.00 120.79 1jk3 n LEU 181 Ca 0.11 0.13 -0.06 0.00 -0.03 0.00 0.00 56.01 56.16 1jk3 n LEU 181 Cb 0.45 0.15 -0.02 0.00 -2.33 0.00 0.00 43.42 41.67 1jk3 n LEU 181 CO 0.56 0.53 0.83 0.00 -1.33 0.00 0.00 177.39 177.98 1jk3 s ALA 182 N -2.53 -1.93 0.14 -1.18 0.00 -1.26 -1.15 121.76 113.85 1jk3 s ALA 182 Ca -0.12 1.22 -0.14 0.00 0.00 0.00 0.00 51.96 52.92 1jk3 s ALA 182 Cb 0.07 0.20 0.02 0.00 0.00 0.00 0.00 23.12 23.41 1jk3 s ALA 182 CO 0.80 -0.67 0.37 -3.38 0.00 0.00 0.00 175.76 172.88 1jk3 s HIS 183 N -2.82 -0.03 0.03 0.00 -3.43 -0.31 -5.00 115.29 103.74 1jk3 s HIS 183 Ca 0.07 -0.32 -0.14 0.00 -0.80 0.00 0.00 55.06 53.87 1jk3 s HIS 183 Cb -0.01 0.18 0.02 0.00 -1.43 0.00 0.00 32.58 31.34 1jk3 s HIS 183 CO -0.07 -0.72 0.31 0.00 -2.00 0.00 0.00 174.74 172.26 1jk3 s ALA 184 N -3.85 -0.71 -0.06 -1.38 0.00 -1.26 -0.84 121.76 113.66 1jk3 s ALA 184 Ca 0.07 0.07 -0.05 0.00 0.00 0.00 0.00 51.96 52.05 1jk3 s ALA 184 Cb 0.02 0.28 -0.04 0.00 0.00 0.00 0.00 23.12 23.38 1jk3 s ALA 184 CO -0.08 -0.39 0.17 -0.06 0.00 0.00 0.00 175.76 175.40 1jk3 s PHE 185 N -2.34 3.57 1.04 0.00 0.40 -0.30 -4.77 117.98 115.59 1jk3 s PHE 185 Ca -0.06 0.44 -0.12 0.00 -0.60 0.00 0.00 56.93 56.58 1jk3 s PHE 185 Cb -0.02 -1.89 0.21 0.00 0.51 0.00 0.00 43.02 41.84 1jk3 s PHE 185 CO -0.02 0.69 1.07 0.20 0.70 0.00 0.00 175.22 177.86 1jk3 s GLY 186 N -1.52 1.56 0.38 4.36 0.00 -1.25 -1.60 107.32 109.25 1jk3 s GLY 186 Ca 0.22 -0.26 -0.26 0.00 0.00 0.00 0.00 44.72 44.41 1jk3 s GLY 186 CO 0.12 0.37 1.18 -1.05 0.00 0.00 0.00 173.10 173.72 1jk3 n PRO 187 N -4.39 1.77 0.00 2.90 -0.02 -1.23 -1.08 135.00 132.95 1jk3 n PRO 187 Ca 0.05 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 1jk3 n PRO 187 Cb 0.56 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 1jk3 n PRO 187 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jk3 n GLY 188 N 0.94 -0.00 3.84 -1.23 0.00 -1.26 -4.74 105.19 102.73 1jk3 n GLY 188 Ca 0.07 -1.23 -0.30 0.00 0.00 0.00 0.00 46.02 44.56 1jk3 n GLY 188 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jk3 s SER 189 N 0.00 4.93 1.88 1.61 1.04 -1.26 -3.91 113.70 117.98 1jk3 s SER 189 Ca 0.00 1.27 0.00 0.00 0.48 0.00 0.00 55.95 57.70 1jk3 s SER 189 Cb 0.00 -2.04 0.00 0.00 0.10 0.00 0.00 66.02 64.08 1jk3 s SER 189 CO 0.00 -1.68 0.00 0.61 0.98 0.00 0.00 173.24 173.15 1jk3 n GLY 190 N -2.43 3.90 0.19 7.32 0.00 -1.26 -1.51 105.19 111.40 1jk3 n GLY 190 Ca 0.07 0.10 0.14 0.00 0.00 0.00 0.00 46.02 46.34 1jk3 n GLY 190 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1jk3 h ILE 191 N 0.00 0.00 -2.28 -0.61 6.09 -1.95 -3.44 117.51 115.31 1jk3 h ILE 191 Ca 0.00 -0.34 -0.62 0.00 -1.37 0.00 0.00 64.86 62.53 1jk3 h ILE 191 Cb 0.00 1.18 0.10 0.00 0.47 0.00 0.00 36.82 38.57 1jk3 h ILE 191 CO 0.00 0.00 0.20 0.61 -3.07 0.00 0.00 178.15 175.89 1jk3 n GLY 192 N 0.02 -0.10 3.26 8.18 0.00 -0.57 -1.16 105.19 114.83 1jk3 n GLY 192 Ca 0.02 0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.44 1jk3 n GLY 192 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jk3 n GLY 193 N 1.57 3.02 3.79 -0.02 0.00 -0.24 -4.48 105.19 108.82 1jk3 n GLY 193 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 1jk3 n GLY 193 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jk3 s ASP 194 N -1.30 6.00 -0.13 1.61 -0.00 -0.31 -4.52 116.67 118.01 1jk3 s ASP 194 Ca 0.00 2.03 0.01 0.00 -0.00 0.00 0.00 52.55 54.59 1jk3 s ASP 194 Cb 0.00 -2.57 0.02 0.00 -0.00 0.00 0.00 42.92 40.37 1jk3 s ASP 194 CO 0.00 -1.02 -0.13 0.00 -0.00 0.00 0.00 175.17 174.02 1jk3 s ALA 195 N -1.93 1.73 -0.09 5.23 0.00 -0.18 -1.14 121.76 125.38 1jk3 s ALA 195 Ca 0.69 -0.80 0.02 0.00 0.00 0.00 0.00 51.96 51.87 1jk3 s ALA 195 Cb -0.20 -0.98 -0.02 0.00 0.00 0.00 0.00 23.12 21.92 1jk3 s ALA 195 CO 0.25 -0.32 -0.14 -1.01 0.00 0.00 0.00 175.76 174.53 1jk3 s HIS 196 N 1.41 2.74 -0.09 0.00 3.76 -0.02 -1.24 115.29 121.85 1jk3 s HIS 196 Ca 0.02 -0.42 0.05 0.00 -0.15 0.00 0.00 55.06 54.56 1jk3 s HIS 196 Cb -0.13 -1.73 -0.00 0.00 1.11 0.00 0.00 32.58 31.83 1jk3 s HIS 196 CO -0.08 -0.02 -0.24 -0.06 -0.85 0.00 0.00 174.74 173.48 1jk3 s PHE 197 N -0.20 2.53 -0.29 1.40 0.08 0.41 -1.16 117.98 120.76 1jk3 s PHE 197 Ca 0.00 -0.96 -0.29 0.00 0.12 0.00 0.00 56.93 55.80 1jk3 s PHE 197 Cb -0.13 -1.68 -0.00 0.00 -0.57 0.00 0.00 43.02 40.64 1jk3 s PHE 197 CO 0.03 -0.36 1.31 0.34 -0.10 0.00 0.00 175.22 176.43 1jk3 s ASP 198 N 0.20 6.69 0.38 1.36 3.68 -0.30 -1.47 116.67 127.21 1jk3 s ASP 198 Ca -0.15 1.26 0.28 0.00 2.13 0.00 0.00 52.55 56.06 1jk3 s ASP 198 Cb -0.17 -2.54 1.25 0.00 -1.45 0.00 0.00 42.92 40.01 1jk3 s ASP 198 CO 0.08 -1.06 1.83 -0.08 0.13 0.00 0.00 175.17 176.07 1jk3 h GLU 199 N 9.23 0.00 0.00 4.34 4.57 -0.99 -1.51 114.58 130.22 1jk3 h GLU 199 Ca -0.26 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.92 1jk3 h GLU 199 Cb 1.10 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.69 1jk3 h GLU 199 CO 1.03 0.00 0.00 -0.25 -1.18 0.00 0.00 179.01 178.61 1jk3 n ASP 200 N -2.51 0.00 -4.90 1.04 10.43 -1.26 -4.67 116.55 114.67 1jk3 n ASP 200 Ca 0.01 0.23 -0.29 0.00 2.57 0.00 0.00 54.79 57.31 1jk3 n ASP 200 Cb 0.19 -0.38 0.05 0.00 1.84 0.00 0.00 41.12 42.82 1jk3 n ASP 200 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 1jk3 s GLU 201 N -2.76 2.76 -0.43 -1.24 0.41 -0.57 -4.02 118.70 112.85 1jk3 s GLU 201 Ca 0.14 0.24 -0.07 0.00 -0.41 0.00 0.00 54.97 54.86 1jk3 s GLU 201 Cb 0.13 -2.10 0.10 0.00 -1.78 0.00 0.00 34.13 30.47 1jk3 s GLU 201 CO 0.31 -0.99 0.26 0.12 -0.49 0.00 0.00 175.26 174.47 1jk3 s PHE 202 N -3.26 3.42 0.23 1.61 5.36 -1.26 -5.03 117.98 119.05 1jk3 s PHE 202 Ca 0.57 -1.85 -0.29 0.00 -0.96 0.00 0.00 56.93 54.40 1jk3 s PHE 202 Cb -0.11 -3.14 -0.09 0.00 -0.34 0.00 0.00 43.02 39.34 1jk3 s PHE 202 CO 0.49 -0.92 0.92 -1.58 -1.46 0.00 0.00 175.22 172.67 1jk3 s TRP 203 N 1.33 3.98 0.23 10.12 0.52 -1.26 -0.67 118.94 133.19 1jk3 s TRP 203 Ca 0.05 1.88 -0.06 0.00 0.02 0.00 0.00 56.10 57.99 1jk3 s TRP 203 Cb -0.24 -2.95 -0.02 0.00 -1.15 0.00 0.00 33.47 29.11 1jk3 s TRP 203 CO -0.00 0.47 0.29 0.95 0.02 0.00 0.00 176.95 178.67 1jk3 s THR 204 N -1.17 0.00 -2.42 2.01 -4.23 -0.39 -4.48 115.64 104.97 1jk3 s THR 204 Ca 0.40 -1.74 0.26 0.00 -1.18 0.00 0.00 61.69 59.43 1jk3 s THR 204 Cb -0.26 -2.39 0.53 0.00 1.34 0.00 0.00 72.50 71.73 1jk3 s THR 204 CO 0.31 0.00 1.70 0.35 -0.54 0.00 0.00 174.62 176.45 1jk3 n THR 205 N -0.34 0.06 -2.51 3.99 -2.24 -1.26 -1.65 114.28 110.33 1jk3 n THR 205 Ca 0.01 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 1jk3 n THR 205 Cb 0.64 0.43 0.00 0.00 -2.10 0.00 0.00 70.33 69.30 1jk3 n THR 205 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jk3 n HIS 206 N 0.17 0.00 0.24 4.78 1.44 -1.26 -5.00 115.22 115.60 1jk3 n HIS 206 Ca 0.18 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 56.01 1jk3 n HIS 206 Cb 0.34 0.00 0.16 0.00 0.12 0.00 0.00 29.99 30.61 1jk3 n HIS 206 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 1jk3 h SER 207 N 0.00 0.00 -4.24 4.39 4.64 -1.97 -3.39 113.55 112.98 1jk3 h SER 207 Ca 0.00 -0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.81 1jk3 h SER 207 Cb 0.00 0.00 0.11 0.00 -0.31 0.00 0.00 62.40 62.20 1jk3 h SER 207 CO 0.00 0.00 0.35 -0.83 -0.87 0.00 0.00 176.83 175.49 1jk3 s GLY 208 N -4.17 1.98 0.00 -0.77 0.00 -1.26 -4.80 107.32 98.30 1jk3 s GLY 208 Ca 0.06 0.43 0.00 0.00 0.00 0.00 0.00 44.72 45.22 1jk3 s GLY 208 CO 0.68 0.78 0.00 0.61 0.00 0.00 0.00 173.10 175.18 1jk3 n GLY 209 N -0.80 2.73 3.25 0.20 0.00 -1.26 -4.36 105.19 104.94 1jk3 n GLY 209 Ca 0.10 -0.35 -0.33 0.00 0.00 0.00 0.00 46.02 45.44 1jk3 n GLY 209 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jk3 s THR 210 N 0.00 2.56 -0.09 2.61 2.01 0.15 -4.97 115.64 117.90 1jk3 s THR 210 Ca 0.00 -0.81 -0.30 0.00 0.31 0.00 0.00 61.69 60.89 1jk3 s THR 210 Cb 0.00 -2.07 -0.03 0.00 0.01 0.00 0.00 72.50 70.41 1jk3 s THR 210 CO 0.00 0.52 1.29 0.21 -0.69 0.00 0.00 174.62 175.96 1jk3 s ASN 211 N 0.77 6.94 0.09 3.53 3.84 -1.26 -1.26 114.94 127.60 1jk3 s ASN 211 Ca -0.06 1.84 -0.18 0.00 0.21 0.00 0.00 52.86 54.66 1jk3 s ASN 211 Cb -0.15 -2.55 -0.07 0.00 -0.55 0.00 0.00 41.25 37.93 1jk3 s ASN 211 CO 0.00 -0.71 1.56 0.25 -2.79 0.00 0.00 177.10 175.42 1jk3 h LEU 212 N 9.03 0.42 -0.13 3.21 5.85 -1.66 -2.41 115.31 129.62 1jk3 h LEU 212 Ca -0.32 -0.27 0.04 0.00 0.84 0.00 0.00 57.88 58.18 1jk3 h LEU 212 Cb 1.14 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 42.01 1jk3 h LEU 212 CO 0.93 0.58 -0.14 0.15 -0.34 0.00 0.00 178.44 179.62 1jk3 h PHE 213 N 0.25 -0.34 -0.77 1.25 3.04 -1.82 0.13 116.94 118.68 1jk3 h PHE 213 Ca 0.08 0.02 -0.05 0.00 3.98 0.00 0.00 57.97 62.00 1jk3 h PHE 213 Cb 0.34 0.17 -0.03 0.00 2.56 0.00 0.00 35.95 38.99 1jk3 h PHE 213 CO 0.02 -0.20 0.27 -0.07 -2.02 0.00 0.00 178.31 176.32 1jk3 h LEU 214 N -0.16 1.09 -0.61 0.59 3.38 -1.92 -0.64 115.31 117.04 1jk3 h LEU 214 Ca 0.09 -0.19 -0.09 0.00 0.09 0.00 0.00 57.88 57.78 1jk3 h LEU 214 Cb 0.30 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1jk3 h LEU 214 CO -0.23 0.99 0.05 0.74 0.09 0.00 0.00 178.44 180.08 1jk3 h THR 215 N 1.13 1.26 -0.23 0.22 2.02 -1.03 -2.95 112.91 113.34 1jk3 h THR 215 Ca 0.25 -1.09 -0.09 0.00 0.77 0.00 0.00 66.41 66.25 1jk3 h THR 215 Cb 0.27 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 1jk3 h THR 215 CO -0.01 0.40 -0.24 0.00 0.37 0.00 0.00 175.52 176.03 1jk3 h ALA 216 N 1.00 1.16 -0.32 6.16 0.00 -0.23 -0.64 119.26 126.40 1jk3 h ALA 216 Ca 0.18 -0.33 0.02 0.00 0.00 0.00 0.00 54.91 54.78 1jk3 h ALA 216 Cb 0.50 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1jk3 h ALA 216 CO 0.02 0.53 0.18 0.28 0.00 0.00 0.00 179.25 180.27 1jk3 h VAL 217 N 0.38 1.02 0.11 0.00 2.07 -0.96 0.11 116.25 118.98 1jk3 h VAL 217 Ca 0.06 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 1jk3 h VAL 217 Cb 0.64 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 1jk3 h VAL 217 CO 0.05 0.07 -0.05 -0.74 0.02 0.00 0.00 177.57 176.91 1jk3 h HIS 218 N 0.37 -0.14 -0.40 1.57 6.17 -1.35 -1.80 115.15 119.56 1jk3 h HIS 218 Ca 0.13 -0.00 0.04 0.00 0.71 0.00 0.00 60.37 61.25 1jk3 h HIS 218 Cb 0.01 0.05 -0.04 0.00 2.52 0.00 0.00 27.41 29.95 1jk3 h HIS 218 CO -0.08 -0.02 0.16 0.00 0.71 0.00 0.00 177.93 178.70 1jk3 h ALA 219 N 0.66 0.48 -0.21 5.26 0.00 -0.91 -2.00 119.26 122.55 1jk3 h ALA 219 Ca -0.02 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1jk3 h ALA 219 Cb 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1jk3 h ALA 219 CO 0.03 -0.23 -0.11 0.82 0.00 0.00 0.00 179.25 179.76 1jk3 h ILE 220 N 0.33 1.19 -0.57 0.00 2.04 -0.75 -0.92 117.51 118.82 1jk3 h ILE 220 Ca 0.18 -0.82 0.11 0.00 1.00 0.00 0.00 64.86 65.33 1jk3 h ILE 220 Cb 0.15 1.15 -0.08 0.00 -0.74 0.00 0.00 36.82 37.30 1jk3 h ILE 220 CO -0.17 0.26 0.11 1.23 0.00 0.00 0.00 178.15 179.58 1jk3 h GLY 221 N 0.79 0.72 0.98 5.37 0.00 -0.56 -0.33 103.07 110.03 1jk3 h GLY 221 Ca 0.06 -0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.36 1jk3 h GLY 221 CO 0.02 -0.11 0.27 0.45 0.00 0.00 0.00 176.54 177.17 1jk3 h HIS 222 N 0.24 0.78 -0.16 5.60 3.86 -1.02 -0.80 115.15 123.66 1jk3 h HIS 222 Ca 0.30 -0.03 0.05 0.00 -1.16 0.00 0.00 60.37 59.52 1jk3 h HIS 222 Cb 0.44 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.66 1jk3 h HIS 222 CO -0.25 0.60 0.19 0.77 0.86 0.00 0.00 177.93 180.09 1jk3 h SER 223 N 0.73 0.00 0.29 2.45 0.02 -0.03 -0.78 113.55 116.23 1jk3 h SER 223 Ca 0.19 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 1jk3 h SER 223 Cb 0.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.65 1jk3 h SER 223 CO -0.02 0.00 -0.61 0.18 -1.14 0.00 0.00 176.83 175.23 1jk3 n LEU 224 N -3.73 0.80 0.00 5.07 4.77 -0.25 -3.54 117.00 120.12 1jk3 n LEU 224 Ca 0.01 -0.22 0.00 0.00 -0.03 0.00 0.00 56.01 55.77 1jk3 n LEU 224 Cb 0.30 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 1jk3 n LEU 224 CO 0.26 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 1jk3 n GLY 225 N 1.48 1.15 3.81 -0.72 0.00 -0.30 -4.57 105.19 106.04 1jk3 n GLY 225 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 1jk3 n GLY 225 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jk3 s LEU 226 N 0.00 4.00 0.00 0.99 1.43 -0.34 -4.83 118.68 119.93 1jk3 s LEU 226 Ca 0.00 1.73 0.00 0.00 -1.03 0.00 0.00 54.13 54.83 1jk3 s LEU 226 Cb 0.00 -4.45 0.00 0.00 0.03 0.00 0.00 46.19 41.77 1jk3 s LEU 226 CO 0.00 -0.33 0.00 0.61 0.23 0.00 0.00 176.35 176.86 1jk3 n GLY 227 N -0.42 2.00 3.82 -3.19 0.00 -1.26 -4.08 105.19 102.06 1jk3 n GLY 227 Ca 0.06 -2.13 -0.33 0.00 0.00 0.00 0.00 46.02 43.63 1jk3 n GLY 227 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1jk3 s HIS 228 N 0.97 3.28 -0.02 1.61 0.09 -1.26 -4.89 115.29 115.06 1jk3 s HIS 228 Ca 0.00 1.53 0.00 0.00 -0.00 0.00 0.00 55.06 56.59 1jk3 s HIS 228 Cb 0.00 -2.88 -0.04 0.00 -0.00 0.00 0.00 32.58 29.66 1jk3 s HIS 228 CO 0.00 -0.47 0.03 0.45 -0.00 0.00 0.00 174.74 174.74 1jk3 s SER 229 N -2.62 5.32 0.00 1.40 0.15 -0.79 -4.97 113.70 112.18 1jk3 s SER 229 Ca 0.62 0.07 0.29 0.00 0.70 0.00 0.00 55.95 57.63 1jk3 s SER 229 Cb -0.11 -1.46 1.28 0.00 -1.71 0.00 0.00 66.02 64.02 1jk3 s SER 229 CO 0.25 0.30 1.90 -1.54 1.20 0.00 0.00 173.24 175.35 1jk3 n SER 230 N 1.46 0.34 -4.60 5.45 3.41 -1.26 -4.10 113.62 114.33 1jk3 n SER 230 Ca -0.15 -0.43 -0.42 0.00 -0.26 0.00 0.00 58.87 57.61 1jk3 n SER 230 Cb 0.53 -0.13 -0.05 0.00 -0.26 0.00 0.00 64.21 64.31 1jk3 n SER 230 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1jk3 s ASP 231 N -2.53 6.64 0.51 4.04 3.68 -1.26 -4.93 116.67 122.81 1jk3 s ASP 231 Ca 0.28 0.55 0.29 0.00 2.13 0.00 0.00 52.55 55.79 1jk3 s ASP 231 Cb 0.20 -2.42 1.58 0.00 -1.45 0.00 0.00 42.92 40.82 1jk3 s ASP 231 CO 0.48 -0.72 1.87 -0.65 0.13 0.00 0.00 175.17 176.28 1jk3 h PRO 232 N 8.33 0.00 0.00 4.34 0.11 -2.00 -0.92 132.00 141.86 1jk3 h PRO 232 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1jk3 h PRO 232 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1jk3 h PRO 232 CO 0.92 0.00 -0.26 1.17 -0.21 0.00 0.00 178.00 179.62 1jk3 n LYS 233 N -2.61 0.10 -3.03 1.05 4.81 -1.26 -4.90 118.16 112.31 1jk3 n LYS 233 Ca -0.02 0.05 -0.34 0.00 -0.87 0.00 0.00 58.31 57.13 1jk3 n LYS 233 Cb 0.18 -1.58 -0.06 0.00 0.02 0.00 0.00 35.03 33.58 1jk3 n LYS 233 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1jk3 s ALA 234 N -3.05 3.30 0.40 3.14 0.00 -0.35 -4.61 121.76 120.58 1jk3 s ALA 234 Ca 0.11 0.21 0.16 0.00 0.00 0.00 0.00 51.96 52.44 1jk3 s ALA 234 Cb 0.16 -2.90 0.96 0.00 0.00 0.00 0.00 23.12 21.34 1jk3 s ALA 234 CO 0.62 0.28 1.93 -0.39 0.00 0.00 0.00 175.76 178.20 1jk3 h VAL 235 N 2.33 1.06 -0.04 0.00 -1.51 -1.88 -2.25 116.25 113.96 1jk3 h VAL 235 Ca -0.48 -0.92 0.00 0.00 -1.23 0.00 0.00 66.70 64.07 1jk3 h VAL 235 Cb 1.18 1.51 0.00 0.00 -2.13 0.00 0.00 31.29 31.86 1jk3 h VAL 235 CO 0.65 0.25 0.00 0.23 -1.23 0.00 0.00 177.57 177.47 1jk3 n MET 236 N -4.06 1.14 -2.04 5.19 2.81 -1.26 -4.71 117.12 114.19 1jk3 n MET 236 Ca -0.02 -0.21 -0.41 0.00 -1.81 0.00 0.00 57.70 55.25 1jk3 n MET 236 Cb 0.32 -1.21 -0.02 0.00 -0.71 0.00 0.00 33.22 31.60 1jk3 n MET 236 CO 0.00 0.00 0.00 0.12 1.51 0.00 0.00 175.97 177.60 1jk3 s PHE 237 N -1.94 2.95 -1.53 2.03 5.36 -0.85 -1.89 117.98 122.11 1jk3 s PHE 237 Ca 0.20 1.30 0.01 0.00 -0.96 0.00 0.00 56.93 57.47 1jk3 s PHE 237 Cb 0.09 -3.77 0.02 0.00 -0.34 0.00 0.00 43.02 39.02 1jk3 s PHE 237 CO 0.15 -2.22 0.80 -0.35 -1.46 0.00 0.00 175.22 172.14 1jk3 n PRO 238 N 1.01 1.08 -5.04 10.12 -0.04 -1.26 -4.70 135.00 136.17 1jk3 n PRO 238 Ca 0.01 -0.08 -0.32 0.00 -0.04 0.00 0.00 63.50 63.07 1jk3 n PRO 238 Cb 0.41 -1.25 -0.16 0.00 -0.04 0.00 0.00 33.50 32.46 1jk3 n PRO 238 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1jk3 s THR 239 N -1.55 2.50 0.23 0.52 2.01 -1.26 -5.11 115.64 112.98 1jk3 s THR 239 Ca 0.01 -0.87 -0.30 0.00 0.31 0.00 0.00 61.69 60.84 1jk3 s THR 239 Cb 0.01 -1.99 -0.09 0.00 0.01 0.00 0.00 72.50 70.44 1jk3 s THR 239 CO 0.01 0.55 1.36 -0.47 -0.69 0.00 0.00 174.62 175.38 1jk3 s TYR 240 N 0.21 3.15 -0.09 4.92 6.14 -1.26 -5.03 117.35 125.39 1jk3 s TYR 240 Ca -0.12 1.15 -0.00 0.00 0.64 0.00 0.00 57.07 58.74 1jk3 s TYR 240 Cb -0.16 -3.70 0.02 0.00 0.42 0.00 0.00 41.96 38.54 1jk3 s TYR 240 CO 0.07 -2.20 -0.06 0.15 0.64 0.00 0.00 175.55 174.14 1jk3 s LYS 241 N -0.32 1.26 0.08 4.97 3.01 -1.26 -5.12 119.74 122.36 1jk3 s LYS 241 Ca 0.57 -0.18 -0.30 0.00 -1.01 0.00 0.00 55.97 55.05 1jk3 s LYS 241 Cb -0.39 -1.34 -0.06 0.00 -1.01 0.00 0.00 37.83 35.03 1jk3 s LYS 241 CO 0.41 -0.21 1.16 -0.47 0.51 0.00 0.00 175.35 176.75 1jk3 s TYR 242 N 1.53 3.49 0.02 3.18 5.04 -1.26 -5.03 117.35 124.33 1jk3 s TYR 242 Ca 0.00 1.40 0.01 0.00 -2.44 0.00 0.00 57.07 56.05 1jk3 s TYR 242 Cb -0.13 -3.36 -0.02 0.00 0.35 0.00 0.00 41.96 38.80 1jk3 s TYR 242 CO -0.05 -1.02 -0.05 0.14 -1.34 0.00 0.00 175.55 173.23 1jk3 s VAL 243 N 0.77 0.29 0.76 3.14 -7.23 -1.26 -5.15 120.40 111.72 1jk3 s VAL 243 Ca 0.56 -0.75 -0.11 0.00 -1.81 0.00 0.00 61.98 59.86 1jk3 s VAL 243 Cb -0.29 -0.36 0.05 0.00 0.56 0.00 0.00 36.38 36.35 1jk3 s VAL 243 CO 0.30 -0.31 1.14 1.51 -0.31 0.00 0.00 175.10 177.43 1jk3 s ASP 244 N -1.13 4.87 -0.28 4.85 1.47 -1.26 -4.75 116.67 120.44 1jk3 s ASP 244 Ca -0.09 0.88 -0.03 0.00 1.18 0.00 0.00 52.55 54.49 1jk3 s ASP 244 Cb -0.08 -1.50 0.03 0.00 -0.34 0.00 0.00 42.92 41.04 1jk3 s ASP 244 CO -0.00 -1.68 2.65 -0.38 0.68 0.00 0.00 175.17 176.44 1jk3 n ILE 245 N -3.17 2.97 0.00 2.11 -0.00 -1.26 -1.35 119.36 118.66 1jk3 n ILE 245 Ca 0.08 -2.06 0.00 0.00 -0.00 0.00 0.00 62.75 60.76 1jk3 n ILE 245 Cb 0.60 -1.59 0.00 0.00 -0.00 0.00 0.00 39.64 38.64 1jk3 n ILE 245 CO 0.00 0.00 0.00 -3.20 -0.00 0.00 0.00 176.55 173.35 1jk3 n ASN 246 N 1.11 2.73 -0.00 4.38 5.15 -1.26 -4.77 115.26 122.60 1jk3 n ASN 246 Ca 0.38 0.00 0.06 0.00 -0.60 0.00 0.00 54.58 54.41 1jk3 n ASN 246 Cb 0.63 0.12 -0.08 0.00 -0.53 0.00 0.00 39.78 39.91 1jk3 n ASN 246 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1jk3 n THR 247 N -1.86 0.00 -2.00 -0.44 -2.24 -0.76 -5.01 114.28 101.96 1jk3 n THR 247 Ca 0.00 -0.25 -0.42 0.00 -2.27 0.00 0.00 64.05 61.11 1jk3 n THR 247 Cb 0.31 0.54 -0.03 0.00 -2.10 0.00 0.00 70.33 69.06 1jk3 n THR 247 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1jk3 s PHE 248 N -2.54 3.08 -0.02 4.78 5.36 -0.46 -4.95 117.98 123.23 1jk3 s PHE 248 Ca -0.01 0.84 -0.29 0.00 -0.96 0.00 0.00 56.93 56.51 1jk3 s PHE 248 Cb 0.08 -3.84 0.09 0.00 -0.34 0.00 0.00 43.02 39.01 1jk3 s PHE 248 CO 0.49 -2.95 0.76 1.03 -1.46 0.00 0.00 175.22 173.10 1jk3 s ARG 249 N 0.53 0.97 0.45 10.12 0.52 -1.26 -5.02 118.95 125.26 1jk3 s ARG 249 Ca 0.65 -0.00 -0.25 0.00 -0.52 0.00 0.00 55.73 55.61 1jk3 s ARG 249 Cb -0.42 0.45 -0.08 0.00 0.52 0.00 0.00 34.95 35.43 1jk3 s ARG 249 CO 0.36 -0.35 1.33 -0.51 0.02 0.00 0.00 175.30 176.14 1jk3 s LEU 250 N -1.69 4.09 0.66 2.53 1.43 -1.26 -4.84 118.68 119.59 1jk3 s LEU 250 Ca -0.04 2.69 -0.05 0.00 -1.03 0.00 0.00 54.13 55.71 1jk3 s LEU 250 Cb -0.00 -4.03 0.05 0.00 0.03 0.00 0.00 46.19 42.23 1jk3 s LEU 250 CO 0.00 -1.09 0.95 -0.94 0.23 0.00 0.00 176.35 175.50 1jk3 s SER 251 N -0.81 5.00 0.24 2.29 1.04 -1.26 -4.89 113.70 115.30 1jk3 s SER 251 Ca 0.62 0.37 -0.06 0.00 0.48 0.00 0.00 55.95 57.36 1jk3 s SER 251 Cb -0.39 -1.11 0.32 0.00 0.10 0.00 0.00 66.02 64.94 1jk3 s SER 251 CO 0.48 -1.44 1.85 0.00 0.98 0.00 0.00 173.24 175.11 1jk3 h ALA 252 N -0.40 1.14 -0.47 5.32 0.00 -1.96 -0.89 119.26 122.01 1jk3 h ALA 252 Ca -0.44 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.52 1jk3 h ALA 252 Cb 1.31 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.83 1jk3 h ALA 252 CO 0.58 0.25 0.19 0.22 0.00 0.00 0.00 179.25 180.49 1jk3 h ASP 253 N 0.93 0.22 -0.58 0.00 1.82 -1.97 -0.63 116.42 116.22 1jk3 h ASP 253 Ca 0.36 0.05 -0.07 0.00 -0.39 0.00 0.00 57.03 56.98 1jk3 h ASP 253 Cb 0.17 0.02 -0.02 0.00 0.68 0.00 0.00 39.33 40.17 1jk3 h ASP 253 CO -0.17 0.16 0.11 0.44 -1.61 0.00 0.00 179.24 178.16 1jk3 h ASP 254 N 0.37 0.91 -0.33 2.28 3.45 -1.67 -1.04 116.42 120.39 1jk3 h ASP 254 Ca 0.22 -0.25 -0.02 0.00 0.43 0.00 0.00 57.03 57.40 1jk3 h ASP 254 Cb 0.19 -0.24 -0.01 0.00 -0.56 0.00 0.00 39.33 38.71 1jk3 h ASP 254 CO -0.20 0.93 0.13 0.40 -1.57 0.00 0.00 179.24 178.93 1jk3 h ILE 255 N 0.85 1.19 -0.77 0.35 1.08 -0.96 -0.52 117.51 118.73 1jk3 h ILE 255 Ca 0.18 -0.58 -0.02 0.00 -0.39 0.00 0.00 64.86 64.05 1jk3 h ILE 255 Cb 0.40 0.94 -0.04 0.00 -3.07 0.00 0.00 36.82 35.06 1jk3 h ILE 255 CO 0.01 0.20 0.38 0.03 -0.69 0.00 0.00 178.15 178.08 1jk3 h ARG 256 N 0.39 1.09 0.19 2.37 3.08 -1.03 -0.67 114.38 119.80 1jk3 h ARG 256 Ca 0.11 -0.15 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 1jk3 h ARG 256 Cb 0.19 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 1jk3 h ARG 256 CO -0.01 0.84 -0.13 0.78 -1.07 0.00 0.00 179.97 180.38 1jk3 h GLY 257 N 1.07 -0.32 1.38 0.04 0.00 -0.86 -1.18 103.07 103.20 1jk3 h GLY 257 Ca 0.27 0.15 -0.17 0.00 0.00 0.00 0.00 47.33 47.57 1jk3 h GLY 257 CO -0.04 -0.14 -0.56 1.19 0.00 0.00 0.00 176.54 177.00 1jk3 h ILE 258 N -0.32 1.31 0.00 2.60 6.09 -0.88 -2.79 117.51 123.51 1jk3 h ILE 258 Ca -0.01 -1.79 0.00 0.00 -1.37 0.00 0.00 64.86 61.69 1jk3 h ILE 258 Cb 0.28 1.74 0.00 0.00 0.47 0.00 0.00 36.82 39.31 1jk3 h ILE 258 CO 0.00 0.56 0.00 1.56 -3.07 0.00 0.00 178.15 177.21 1jk3 h GLN 259 N 0.50 0.00 0.00 2.19 4.20 -1.08 -0.61 115.11 120.30 1jk3 h GLN 259 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1jk3 h GLN 259 Cb 1.13 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.91 1jk3 h GLN 259 CO 0.11 0.00 0.00 0.66 -0.67 0.00 0.00 178.83 178.93 1jk3 h SER 260 N 0.00 0.00 0.00 1.46 4.64 -0.93 -3.26 113.55 115.46 1jk3 h SER 260 Ca 0.00 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.96 1jk3 h SER 260 Cb 0.58 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.60 1jk3 h SER 260 CO 0.00 0.00 -2.35 0.18 -0.87 0.00 0.00 176.83 173.79 1jk3 n LEU 261 N -2.45 1.22 -4.07 5.97 4.77 -0.62 -5.04 117.00 116.77 1jk3 n LEU 261 Ca 0.03 -0.05 -0.10 0.00 -0.03 0.00 0.00 56.01 55.85 1jk3 n LEU 261 Cb 0.34 -0.07 -0.11 0.00 -2.33 0.00 0.00 43.42 41.25 1jk3 n LEU 261 CO 0.26 0.65 -0.38 -0.31 -1.33 0.00 0.00 177.39 176.28 1jk3 s TYR 262 N -2.48 0.59 0.00 -1.77 1.51 -0.33 -5.01 117.35 109.86 1jk3 s TYR 262 Ca -0.19 -0.70 0.00 0.00 -1.01 0.00 0.00 57.07 55.16 1jk3 s TYR 262 Cb 0.07 -0.37 0.00 0.00 -0.11 0.00 0.00 41.96 41.54 1jk3 s TYR 262 CO 0.70 -0.18 0.00 0.41 -1.11 0.00 0.00 175.55 175.37