#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jk1 n PRO 104 N 0.00 1.58 -3.74 5.56 -0.04 -1.15 -4.61 135.00 132.60 1jk1 n PRO 104 Ca 0.00 -0.89 -0.29 0.00 -0.04 0.00 0.00 63.50 62.27 1jk1 n PRO 104 Cb 0.00 -1.25 -0.13 0.00 -0.04 0.00 0.00 33.50 32.08 1jk1 n PRO 104 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1jk1 s TYR 105 N -1.71 2.28 0.39 0.54 2.02 -1.00 -5.01 117.35 114.85 1jk1 s TYR 105 Ca 0.21 -2.64 -0.14 0.00 -0.37 0.00 0.00 57.07 54.13 1jk1 s TYR 105 Cb 0.11 -2.04 -0.08 0.00 -0.40 0.00 0.00 41.96 39.55 1jk1 s TYR 105 CO 0.16 -0.75 0.80 0.00 -1.57 0.00 0.00 175.55 174.19 1jk1 s ALA 106 N -0.00 3.26 -0.35 3.71 0.00 -1.26 -0.86 121.76 126.26 1jk1 s ALA 106 Ca 0.20 0.02 -0.27 0.00 0.00 0.00 0.00 51.96 51.91 1jk1 s ALA 106 Cb -0.19 -2.84 0.02 0.00 0.00 0.00 0.00 23.12 20.11 1jk1 s ALA 106 CO -0.04 0.12 0.98 0.00 0.00 0.00 0.00 175.76 176.81 1jk1 h PRO 108 N 8.35 0.85 -6.25 0.00 0.13 -1.90 -3.44 132.00 129.73 1jk1 h PRO 108 Ca -0.22 -0.05 -0.65 0.00 -0.87 0.00 0.00 66.00 64.20 1jk1 h PRO 108 Cb 1.07 -0.19 0.02 0.00 0.13 0.00 0.00 31.00 32.03 1jk1 h PRO 108 CO 1.00 0.56 0.99 0.28 -0.23 0.00 0.00 178.00 180.60 1jk1 n VAL 109 N -4.47 0.43 -0.29 1.56 0.31 -1.26 -4.85 118.33 109.76 1jk1 n VAL 109 Ca 0.11 -0.08 0.08 0.00 -0.01 0.00 0.00 64.34 64.44 1jk1 n VAL 109 Cb 0.17 -1.61 0.23 0.00 -0.91 0.00 0.00 33.84 31.72 1jk1 n VAL 109 CO 0.00 0.00 0.00 1.05 -1.32 0.00 0.00 176.83 176.56 1jk1 h GLU 110 N 8.19 0.56 -0.56 5.55 9.09 -2.05 -2.51 114.58 132.85 1jk1 h GLU 110 Ca -0.48 -0.03 0.00 0.00 0.05 0.00 0.00 59.36 58.90 1jk1 h GLU 110 Cb 1.29 -0.13 0.00 0.00 -1.65 0.00 0.00 28.75 28.26 1jk1 h GLU 110 CO 0.94 0.37 0.00 -1.13 0.05 0.00 0.00 179.01 179.24 1jk1 n SER 111 N -4.90 1.01 -4.09 3.06 3.41 -1.26 -4.80 113.62 106.05 1jk1 n SER 111 Ca 0.18 -2.05 -0.22 0.00 -0.26 0.00 0.00 58.87 56.51 1jk1 n SER 111 Cb 0.46 -0.31 -0.15 0.00 -0.26 0.00 0.00 64.21 63.95 1jk1 n SER 111 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jk1 n ASP 113 N 2.95 5.65 -4.91 0.00 -0.08 -1.26 -4.82 116.55 114.09 1jk1 n ASP 113 Ca -0.16 -3.76 -0.32 0.00 -1.51 0.00 0.00 54.79 49.05 1jk1 n ASP 113 Cb 0.55 -0.57 -0.04 0.00 2.34 0.00 0.00 41.12 43.39 1jk1 n ASP 113 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 1jk1 s ARG 114 N -3.68 3.40 -0.01 -0.67 1.81 -1.26 -5.01 118.95 113.54 1jk1 s ARG 114 Ca 0.52 -0.42 0.00 0.00 -1.72 0.00 0.00 55.73 54.11 1jk1 s ARG 114 Cb 0.43 -3.04 0.01 0.00 -0.45 0.00 0.00 34.95 31.90 1jk1 s ARG 114 CO -0.10 0.63 0.01 1.03 -0.68 0.00 0.00 175.30 176.19 1jk1 s ARG 115 N -2.33 -0.00 0.17 3.54 0.52 -1.26 -1.00 118.95 118.59 1jk1 s ARG 115 Ca 0.32 0.06 0.11 0.00 -0.52 0.00 0.00 55.73 55.71 1jk1 s ARG 115 Cb -0.13 -0.10 -0.04 0.00 0.52 0.00 0.00 34.95 35.20 1jk1 s ARG 115 CO 0.25 -0.06 -0.25 -0.06 0.02 0.00 0.00 175.30 175.20 1jk1 s PHE 116 N 0.39 2.29 -0.31 -0.53 0.40 -0.04 -4.95 117.98 115.23 1jk1 s PHE 116 Ca -0.03 -0.37 0.20 0.00 -0.60 0.00 0.00 56.93 56.13 1jk1 s PHE 116 Cb -0.05 -1.18 0.26 0.00 0.51 0.00 0.00 43.02 42.57 1jk1 s PHE 116 CO -0.01 0.43 1.56 0.77 0.70 0.00 0.00 175.22 178.67 1jk1 h SER 117 N 3.48 0.00 -4.63 1.36 0.02 -1.91 -2.63 113.55 109.24 1jk1 h SER 117 Ca -0.48 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.18 1jk1 h SER 117 Cb 1.19 0.00 -0.22 0.00 0.14 0.00 0.00 62.40 63.51 1jk1 h SER 117 CO 0.44 0.20 -0.74 -0.60 -1.14 0.00 0.00 176.83 175.00 1jk1 s ARG 118 N -3.13 0.54 0.23 3.45 3.52 -1.26 -4.71 118.95 117.59 1jk1 s ARG 118 Ca 0.06 -0.69 -0.05 0.00 -0.13 0.00 0.00 55.73 54.91 1jk1 s ARG 118 Cb 0.06 -0.35 0.23 0.00 -1.56 0.00 0.00 34.95 33.34 1jk1 s ARG 118 CO 0.70 0.07 1.77 0.77 -0.81 0.00 0.00 175.30 177.79 1jk1 h SER 119 N 4.70 0.97 -0.89 -2.12 0.02 -1.96 -2.78 113.55 111.48 1jk1 h SER 119 Ca -0.35 -0.19 0.21 0.00 -0.84 0.00 0.00 61.79 60.62 1jk1 h SER 119 Cb 1.20 -0.25 -0.06 0.00 0.14 0.00 0.00 62.40 63.43 1jk1 h SER 119 CO 0.42 0.92 0.60 0.00 -1.14 0.00 0.00 176.83 177.63 1jk1 h ALA 120 N 1.20 2.32 0.01 3.77 0.00 -2.00 0.27 119.26 124.82 1jk1 h ALA 120 Ca 0.21 0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.94 1jk1 h ALA 120 Cb 0.33 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1jk1 h ALA 120 CO -0.00 -0.60 -0.92 0.93 0.00 0.00 0.00 179.25 178.66 1jk1 h GLU 121 N 0.33 0.05 -0.28 0.00 3.07 -1.93 -2.49 114.58 113.33 1jk1 h GLU 121 Ca 0.46 -0.07 -0.19 0.00 -0.50 0.00 0.00 59.36 59.07 1jk1 h GLU 121 Cb 1.26 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 29.20 1jk1 h GLU 121 CO -0.15 0.93 -0.56 1.25 -1.40 0.00 0.00 179.01 179.07 1jk1 h LEU 122 N 0.02 0.99 -0.66 1.33 6.46 -0.97 0.43 115.31 122.92 1jk1 h LEU 122 Ca -0.02 -0.54 -0.02 0.00 -0.12 0.00 0.00 57.88 57.18 1jk1 h LEU 122 Cb 1.60 -0.28 -0.03 0.00 -0.73 0.00 0.00 40.66 41.22 1jk1 h LEU 122 CO 0.13 1.34 0.35 0.74 -0.62 0.00 0.00 178.44 180.38 1jk1 h THR 123 N 0.67 1.21 -0.24 1.05 2.02 -1.29 0.12 112.91 116.45 1jk1 h THR 123 Ca 0.01 -0.54 -0.08 0.00 0.77 0.00 0.00 66.41 66.57 1jk1 h THR 123 Cb 1.18 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.95 1jk1 h THR 123 CO 0.13 0.23 -0.14 -0.09 0.37 0.00 0.00 175.52 176.01 1jk1 h ARG 124 N 0.90 0.53 -0.47 6.66 2.43 -1.37 -3.17 114.38 119.89 1jk1 h ARG 124 Ca 0.23 -0.24 -0.05 0.00 -0.81 0.00 0.00 59.98 59.11 1jk1 h ARG 124 Cb 0.06 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 1jk1 h ARG 124 CO -0.04 0.80 0.09 1.25 -1.51 0.00 0.00 179.97 180.57 1jk1 h HIS 125 N 0.24 0.74 -0.27 2.20 2.76 -0.70 -2.80 115.15 117.33 1jk1 h HIS 125 Ca 0.05 -0.07 0.05 0.00 -2.20 0.00 0.00 60.37 58.21 1jk1 h HIS 125 Cb 0.66 -0.22 -0.01 0.00 1.55 0.00 0.00 27.41 29.39 1jk1 h HIS 125 CO 0.07 0.65 0.19 0.82 -1.30 0.00 0.00 177.93 178.35 1jk1 h ILE 126 N 0.70 0.93 -0.01 6.26 1.08 -0.73 -1.83 117.51 123.91 1jk1 h ILE 126 Ca 0.15 -0.04 0.00 0.00 -0.39 0.00 0.00 64.86 64.58 1jk1 h ILE 126 Cb 0.30 0.79 -0.00 0.00 -3.07 0.00 0.00 36.82 34.84 1jk1 h ILE 126 CO 0.00 0.02 0.08 0.03 -0.69 0.00 0.00 178.15 177.60 1jk1 h ARG 127 N 0.13 0.00 -0.58 2.37 3.08 -1.55 -0.29 114.38 117.54 1jk1 h ARG 127 Ca 0.12 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.10 1jk1 h ARG 127 Cb 0.32 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 1jk1 h ARG 127 CO -0.02 0.00 0.08 0.82 -1.07 0.00 0.00 179.97 179.78 1jk1 h ILE 128 N 0.00 1.26 0.12 2.04 2.04 -1.51 -0.16 117.51 121.30 1jk1 h ILE 128 Ca 0.00 -1.01 -0.27 0.00 1.00 0.00 0.00 64.86 64.59 1jk1 h ILE 128 Cb 0.17 0.79 0.00 0.00 -0.74 0.00 0.00 36.82 37.04 1jk1 h ILE 128 CO -0.00 0.37 -1.22 0.45 0.00 0.00 0.00 178.15 177.75 1jk1 h HIS 129 N 0.86 0.51 0.00 1.37 3.86 -1.24 -3.31 115.15 117.21 1jk1 h HIS 129 Ca 0.17 -0.36 -0.05 0.00 -1.16 0.00 0.00 60.37 58.97 1jk1 h HIS 129 Cb 0.44 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.88 1jk1 h HIS 129 CO 0.03 1.27 -0.26 1.79 0.86 0.00 0.00 177.93 181.63 1jk1 h THR 130 N 0.09 0.45 -0.04 2.45 1.35 -1.37 -3.47 112.91 112.37 1jk1 h THR 130 Ca -0.13 -1.59 -0.02 0.00 -0.55 0.00 0.00 66.41 64.12 1jk1 h THR 130 Cb 1.94 2.18 -0.01 0.00 -1.73 0.00 0.00 68.15 70.53 1jk1 h THR 130 CO 0.20 0.25 -0.02 0.61 -0.25 0.00 0.00 175.52 176.32 1jk1 n GLY 131 N 1.08 0.48 3.61 5.82 0.00 -0.09 -4.98 105.19 111.11 1jk1 n GLY 131 Ca 0.03 -0.54 -0.43 0.00 0.00 0.00 0.00 46.02 45.08 1jk1 n GLY 131 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1jk1 s GLN 132 N -1.20 3.44 -0.66 1.61 2.00 -1.10 -4.96 119.66 118.80 1jk1 s GLN 132 Ca 0.00 1.58 0.05 0.00 -2.00 0.00 0.00 55.36 54.99 1jk1 s GLN 132 Cb 0.00 -4.18 0.17 0.00 0.80 0.00 0.00 33.01 29.80 1jk1 s GLN 132 CO 0.00 -1.73 0.46 0.15 -0.50 0.00 0.00 175.29 173.67 1jk1 s LYS 133 N 5.48 2.27 0.50 1.67 1.02 -1.26 -4.59 119.74 124.84 1jk1 s LYS 133 Ca 0.81 -3.17 0.34 0.00 0.02 0.00 0.00 55.97 53.97 1jk1 s LYS 133 Cb -0.25 -3.22 1.65 0.00 -0.52 0.00 0.00 37.83 35.49 1jk1 s LYS 133 CO 0.33 -1.28 2.02 -1.35 -0.92 0.00 0.00 175.35 174.15 1jk1 h PRO 134 N 5.52 0.00 -4.83 -1.68 0.11 -1.77 -3.38 132.00 125.98 1jk1 h PRO 134 Ca 0.14 0.00 -0.68 0.00 0.11 0.00 0.00 66.00 65.57 1jk1 h PRO 134 Cb 0.78 0.00 -0.34 0.00 0.11 0.00 0.00 31.00 31.55 1jk1 h PRO 134 CO 0.68 0.00 -0.74 -0.06 -0.21 0.00 0.00 178.00 177.67 1jk1 s PHE 135 N -3.76 3.23 -0.01 0.65 0.40 -0.71 -4.97 117.98 112.81 1jk1 s PHE 135 Ca -0.01 -1.99 -0.02 0.00 -0.60 0.00 0.00 56.93 54.31 1jk1 s PHE 135 Cb 0.10 -2.04 -0.04 0.00 0.51 0.00 0.00 43.02 41.55 1jk1 s PHE 135 CO 0.40 -0.82 0.15 -1.14 0.70 0.00 0.00 175.22 174.51 1jk1 s GLN 136 N 1.21 3.31 -0.20 0.44 0.74 -1.26 -0.25 119.66 123.65 1jk1 s GLN 136 Ca -0.06 -0.38 -0.22 0.00 0.05 0.00 0.00 55.36 54.76 1jk1 s GLN 136 Cb -0.19 -3.02 -0.02 0.00 1.10 0.00 0.00 33.01 30.88 1jk1 s GLN 136 CO -0.03 0.67 0.68 0.00 -0.55 0.00 0.00 175.29 176.05 1jk1 h ARG 138 N 7.49 0.79 0.07 0.00 3.08 -1.96 0.22 114.38 124.07 1jk1 h ARG 138 Ca -0.30 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 59.70 1jk1 h ARG 138 Cb 1.14 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 31.01 1jk1 h ARG 138 CO 0.79 0.52 -0.03 0.82 -1.07 0.00 0.00 179.97 181.00 1jk1 h ILE 139 N 0.82 1.21 -0.01 2.04 2.04 -1.99 -3.38 117.51 118.23 1jk1 h ILE 139 Ca 0.25 -1.41 0.00 0.00 1.00 0.00 0.00 64.86 64.71 1jk1 h ILE 139 Cb 0.01 2.07 0.00 0.00 -0.74 0.00 0.00 36.82 38.16 1jk1 h ILE 139 CO -0.07 0.33 -0.06 0.00 0.00 0.00 0.00 178.15 178.35 1jk1 n MET 141 N 0.54 -1.19 -2.90 0.00 2.81 0.79 -4.99 117.12 112.18 1jk1 n MET 141 Ca 0.07 1.05 -0.40 0.00 -1.81 0.00 0.00 57.70 56.62 1jk1 n MET 141 Cb 0.32 -5.26 -0.06 0.00 -0.71 0.00 0.00 33.22 27.51 1jk1 n MET 141 CO 0.00 0.00 0.00 0.50 1.51 0.00 0.00 175.97 177.98 1jk1 s ARG 142 N -3.32 4.63 0.20 0.03 3.52 -1.26 -4.72 118.95 118.04 1jk1 s ARG 142 Ca 0.00 1.25 -0.10 0.00 -0.13 0.00 0.00 55.73 56.75 1jk1 s ARG 142 Cb 0.00 -3.31 -0.07 0.00 -1.56 0.00 0.00 34.95 30.01 1jk1 s ARG 142 CO 0.00 0.44 0.53 -0.80 -0.81 0.00 0.00 175.30 174.65 1jk1 s ASN 143 N -0.72 6.65 0.06 -2.12 -0.87 -1.26 -1.65 114.94 115.02 1jk1 s ASN 143 Ca 0.39 0.91 0.03 0.00 -1.57 0.00 0.00 52.86 52.62 1jk1 s ASN 143 Cb -0.23 -2.22 -0.03 0.00 -0.02 0.00 0.00 41.25 38.75 1jk1 s ASN 143 CO 0.27 -0.02 -0.09 -0.36 -2.57 0.00 0.00 177.10 174.33 1jk1 s PHE 144 N -1.72 0.82 0.06 2.20 0.40 0.65 -4.97 117.98 115.41 1jk1 s PHE 144 Ca 0.44 -0.53 0.15 0.00 -0.60 0.00 0.00 56.93 56.40 1jk1 s PHE 144 Cb -0.12 -0.48 0.33 0.00 0.51 0.00 0.00 43.02 43.27 1jk1 s PHE 144 CO 0.21 -0.05 1.57 0.66 0.70 0.00 0.00 175.22 178.30 1jk1 h SER 145 N 4.30 0.00 -4.32 1.36 4.64 -1.85 -1.85 113.55 115.82 1jk1 h SER 145 Ca -0.37 0.00 -0.45 0.00 -0.47 0.00 0.00 61.79 60.50 1jk1 h SER 145 Cb 1.20 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 63.04 1jk1 h SER 145 CO 0.43 0.52 -0.80 -0.13 -0.87 0.00 0.00 176.83 175.98 1jk1 s ARG 146 N -3.27 0.96 0.14 4.77 0.52 -1.26 -4.61 118.95 116.20 1jk1 s ARG 146 Ca 0.01 -0.76 -0.12 0.00 -0.52 0.00 0.00 55.73 54.34 1jk1 s ARG 146 Cb 0.10 -0.97 -0.00 0.00 0.52 0.00 0.00 34.95 34.60 1jk1 s ARG 146 CO 0.73 0.24 1.56 0.66 0.02 0.00 0.00 175.30 178.51 1jk1 h SER 147 N 4.93 0.88 0.08 0.23 4.64 -1.95 -2.22 113.55 120.16 1jk1 h SER 147 Ca -0.38 -0.35 -0.06 0.00 -0.47 0.00 0.00 61.79 60.52 1jk1 h SER 147 Cb 1.18 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 63.02 1jk1 h SER 147 CO 0.44 1.03 -0.20 -2.24 -0.87 0.00 0.00 176.83 174.99 1jk1 h ASP 148 N 0.72 0.22 1.15 4.97 -0.00 -2.00 -1.93 116.42 119.55 1jk1 h ASP 148 Ca 0.12 -0.06 -0.15 0.00 -0.00 0.00 0.00 57.03 56.94 1jk1 h ASP 148 Cb 0.63 -0.06 -0.02 0.00 -0.00 0.00 0.00 39.33 39.88 1jk1 h ASP 148 CO 0.04 0.44 -0.71 0.45 -0.00 0.00 0.00 179.24 179.46 1jk1 h HIS 149 N 0.21 0.00 -0.28 4.15 3.86 -1.97 -2.95 115.15 118.18 1jk1 h HIS 149 Ca 0.04 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.19 1jk1 h HIS 149 Cb 0.49 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.95 1jk1 h HIS 149 CO 0.01 0.71 -0.07 1.25 0.86 0.00 0.00 177.93 180.70 1jk1 h LEU 150 N 0.00 0.54 -0.09 2.43 5.85 -0.84 -1.77 115.31 121.44 1jk1 h LEU 150 Ca -0.01 -0.36 0.04 0.00 0.84 0.00 0.00 57.88 58.39 1jk1 h LEU 150 Cb 1.48 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 42.31 1jk1 h LEU 150 CO 0.09 0.78 -0.24 0.74 -0.34 0.00 0.00 178.44 179.47 1jk1 h THR 151 N 0.29 0.43 -0.29 1.05 2.02 -1.32 -0.32 112.91 114.78 1jk1 h THR 151 Ca 0.07 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.18 1jk1 h THR 151 Cb 0.54 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 67.37 1jk1 h THR 151 CO 0.03 0.00 -0.14 0.71 0.37 0.00 0.00 175.52 176.49 1jk1 h THR 152 N -0.33 1.24 -0.72 3.16 1.35 -1.54 -2.34 112.91 113.73 1jk1 h THR 152 Ca 0.09 -1.05 -0.04 0.00 -0.55 0.00 0.00 66.41 64.85 1jk1 h THR 152 Cb 0.45 1.17 -0.03 0.00 -1.73 0.00 0.00 68.15 68.01 1jk1 h THR 152 CO -0.27 0.34 0.27 -0.74 -0.25 0.00 0.00 175.52 174.87 1jk1 h HIS 153 N 0.47 1.09 -0.16 4.73 -0.00 -0.70 -2.22 115.15 118.35 1jk1 h HIS 153 Ca 0.08 -0.08 0.02 0.00 -0.00 0.00 0.00 60.37 60.39 1jk1 h HIS 153 Cb 0.52 -0.33 -0.01 0.00 -0.00 0.00 0.00 27.41 27.59 1jk1 h HIS 153 CO 0.02 0.84 0.11 0.82 -0.00 0.00 0.00 177.93 179.71 1jk1 h ILE 154 N 1.04 1.00 0.00 6.26 2.04 -0.51 -0.88 117.51 126.47 1jk1 h ILE 154 Ca 0.24 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 66.05 1jk1 h ILE 154 Cb 0.22 0.84 0.00 0.00 -0.74 0.00 0.00 36.82 37.14 1jk1 h ILE 154 CO -0.02 0.03 0.00 0.03 0.00 0.00 0.00 178.15 178.19 1jk1 h ARG 155 N 0.15 0.00 0.00 2.37 3.08 -1.32 -1.35 114.38 117.31 1jk1 h ARG 155 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1jk1 h ARG 155 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.13 1jk1 h ARG 155 CO -0.01 0.00 0.00 1.79 -1.07 0.00 0.00 179.97 180.68 1jk1 h THR 156 N 0.00 0.00 0.03 2.04 1.35 -1.25 -0.05 112.91 115.03 1jk1 h THR 156 Ca 0.00 -0.54 -0.33 0.00 -0.55 0.00 0.00 66.41 64.99 1jk1 h THR 156 Cb 0.16 1.53 -0.04 0.00 -1.73 0.00 0.00 68.15 68.08 1jk1 h THR 156 CO 0.00 0.00 -1.82 1.41 -0.25 0.00 0.00 175.52 174.86 1jk1 n HIS 157 N -3.06 0.75 0.10 4.73 8.25 -0.53 -4.45 115.22 121.02 1jk1 n HIS 157 Ca 0.01 0.27 -0.02 0.00 -0.26 0.00 0.00 57.72 57.71 1jk1 n HIS 157 Cb 0.32 -1.08 -0.01 0.00 1.12 0.00 0.00 29.99 30.34 1jk1 n HIS 157 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 1jk1 h THR 158 N -0.69 1.34 0.00 1.59 1.35 -1.54 -3.47 112.91 111.49 1jk1 h THR 158 Ca -0.47 -2.75 0.00 0.00 -0.55 0.00 0.00 66.41 62.64 1jk1 h THR 158 Cb 1.58 2.57 0.00 0.00 -1.73 0.00 0.00 68.15 70.57 1jk1 h THR 158 CO -0.19 0.73 0.00 0.61 -0.25 0.00 0.00 175.52 176.43 1jk1 n GLY 159 N 1.12 0.60 3.72 5.82 0.00 -0.03 -5.02 105.19 111.40 1jk1 n GLY 159 Ca 0.01 -0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 1jk1 n GLY 159 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jk1 s GLU 160 N -0.63 4.27 -0.41 1.61 2.12 -1.22 -4.98 118.70 119.46 1jk1 s GLU 160 Ca 0.00 2.25 0.02 0.00 0.36 0.00 0.00 54.97 57.60 1jk1 s GLU 160 Cb 0.00 -3.18 0.16 0.00 0.26 0.00 0.00 34.13 31.37 1jk1 s GLU 160 CO 0.00 -0.50 0.29 0.15 -0.54 0.00 0.00 175.26 174.66 1jk1 s LYS 161 N 0.78 0.91 0.13 4.30 1.02 -1.26 -4.36 119.74 121.25 1jk1 s LYS 161 Ca 0.66 -1.88 0.18 0.00 0.02 0.00 0.00 55.97 54.94 1jk1 s LYS 161 Cb -0.41 -1.59 0.78 0.00 -0.52 0.00 0.00 37.83 36.08 1jk1 s LYS 161 CO 0.34 -1.29 1.56 -2.30 -0.92 0.00 0.00 175.35 172.74 1jk1 n PRO 162 N 3.31 0.09 -3.86 -1.68 -0.02 -1.12 -4.27 135.00 127.45 1jk1 n PRO 162 Ca 0.20 0.35 -0.36 0.00 -2.02 0.00 0.00 63.50 61.68 1jk1 n PRO 162 Cb 0.42 -1.69 -0.13 0.00 -0.02 0.00 0.00 33.50 32.08 1jk1 n PRO 162 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1jk1 s PHE 163 N -3.16 3.29 -0.12 6.00 0.40 -0.75 -4.96 117.98 118.68 1jk1 s PHE 163 Ca 0.05 -1.81 -0.06 0.00 -0.60 0.00 0.00 56.93 54.51 1jk1 s PHE 163 Cb 0.09 -2.25 -0.04 0.00 0.51 0.00 0.00 43.02 41.33 1jk1 s PHE 163 CO 0.31 -0.80 0.09 0.00 0.70 0.00 0.00 175.22 175.52 1jk1 s ALA 164 N 1.28 3.66 0.19 5.36 0.00 -1.26 -0.20 121.76 130.79 1jk1 s ALA 164 Ca -0.03 -0.70 -0.31 0.00 0.00 0.00 0.00 51.96 50.92 1jk1 s ALA 164 Cb -0.20 -1.84 -0.10 0.00 0.00 0.00 0.00 23.12 20.98 1jk1 s ALA 164 CO -0.00 0.54 1.47 0.00 0.00 0.00 0.00 175.76 177.76 1jk1 h ASP 166 N 6.05 0.01 0.04 0.00 3.45 -1.95 0.13 116.42 124.15 1jk1 h ASP 166 Ca -0.44 -0.00 -0.16 0.00 0.43 0.00 0.00 57.03 56.86 1jk1 h ASP 166 Cb 1.21 -0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.97 1jk1 h ASP 166 CO 0.84 0.23 -0.82 0.40 -1.57 0.00 0.00 179.24 178.32 1jk1 h ILE 167 N 0.01 1.30 -0.00 0.35 2.04 -1.97 -3.42 117.51 115.83 1jk1 h ILE 167 Ca 0.00 -2.32 0.00 0.00 1.00 0.00 0.00 64.86 63.54 1jk1 h ILE 167 Cb 0.39 2.83 0.00 0.00 -0.74 0.00 0.00 36.82 39.31 1jk1 h ILE 167 CO 0.03 0.55 -0.17 0.00 0.00 0.00 0.00 178.15 178.55 1jk1 n GLY 169 N 0.92 0.94 3.72 0.00 0.00 0.45 -4.95 105.19 106.27 1jk1 n GLY 169 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1jk1 n GLY 169 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1jk1 s ARG 170 N -0.04 4.14 0.15 1.61 3.52 -1.26 -4.27 118.95 122.79 1jk1 s ARG 170 Ca 0.00 2.57 -0.02 0.00 -0.13 0.00 0.00 55.73 58.15 1jk1 s ARG 170 Cb 0.00 -3.08 -0.05 0.00 -1.56 0.00 0.00 34.95 30.26 1jk1 s ARG 170 CO 0.00 -0.72 0.35 0.15 -0.81 0.00 0.00 175.30 174.27 1jk1 s LYS 171 N 1.01 3.53 0.03 5.12 1.02 -1.26 -0.07 119.74 129.12 1jk1 s LYS 171 Ca 0.73 -0.29 -0.03 0.00 0.02 0.00 0.00 55.97 56.40 1jk1 s LYS 171 Cb -0.49 -2.88 -0.02 0.00 -0.52 0.00 0.00 37.83 33.92 1jk1 s LYS 171 CO 0.33 0.47 0.03 -0.06 -0.92 0.00 0.00 175.35 175.21 1jk1 s PHE 172 N -1.73 0.26 0.22 3.18 0.40 0.72 -4.96 117.98 116.07 1jk1 s PHE 172 Ca 0.38 -0.57 -0.03 0.00 -0.60 0.00 0.00 56.93 56.11 1jk1 s PHE 172 Cb -0.12 -0.19 0.20 0.00 0.51 0.00 0.00 43.02 43.42 1jk1 s PHE 172 CO 0.27 -0.30 1.62 0.00 0.70 0.00 0.00 175.22 177.52 1jk1 h ALA 173 N 3.99 0.88 -3.38 5.36 0.00 -1.86 -1.95 119.26 122.29 1jk1 h ALA 173 Ca -0.32 -0.38 -0.66 0.00 0.00 0.00 0.00 54.91 53.54 1jk1 h ALA 173 Cb 1.19 -0.14 -0.20 0.00 0.00 0.00 0.00 17.79 18.64 1jk1 h ALA 173 CO 0.49 0.63 -0.84 1.03 0.00 0.00 0.00 179.25 180.56 1jk1 s ARG 174 N -4.52 1.49 0.37 0.00 0.52 -1.26 -4.49 118.95 111.06 1jk1 s ARG 174 Ca -0.09 -1.48 0.10 0.00 -0.52 0.00 0.00 55.73 53.75 1jk1 s ARG 174 Cb 0.13 -1.86 0.73 0.00 0.52 0.00 0.00 34.95 34.47 1jk1 s ARG 174 CO 0.83 0.41 1.86 0.66 0.02 0.00 0.00 175.30 179.08 1jk1 h SER 175 N 3.38 0.14 0.64 0.23 4.64 -1.96 -2.54 113.55 118.09 1jk1 h SER 175 Ca -0.48 -0.04 -0.12 0.00 -0.47 0.00 0.00 61.79 60.68 1jk1 h SER 175 Cb 1.20 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 63.23 1jk1 h SER 175 CO 0.46 0.40 -0.58 -2.24 -0.87 0.00 0.00 176.83 173.99 1jk1 h ASP 176 N 0.13 0.00 -0.26 4.97 3.04 -1.99 -1.34 116.42 120.98 1jk1 h ASP 176 Ca 0.02 0.00 -0.05 0.00 -3.24 0.00 0.00 57.03 53.76 1jk1 h ASP 176 Cb 0.53 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.81 1jk1 h ASP 176 CO 0.04 0.58 -0.03 -0.33 -2.04 0.00 0.00 179.24 177.46 1jk1 h GLU 177 N 0.00 0.48 -0.70 4.15 5.08 -1.88 -1.63 114.58 120.08 1jk1 h GLU 177 Ca -0.01 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 58.15 1jk1 h GLU 177 Cb 1.06 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.25 1jk1 h GLU 177 CO 0.08 0.68 0.32 -0.09 -1.00 0.00 0.00 179.01 178.99 1jk1 h ARG 178 N 0.25 1.02 -0.41 2.33 2.43 -1.37 -1.71 114.38 116.93 1jk1 h ARG 178 Ca 0.07 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 1jk1 h ARG 178 Cb 0.48 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.83 1jk1 h ARG 178 CO 0.02 0.82 0.26 -0.22 -1.51 0.00 0.00 179.97 179.34 1jk1 h LYS 179 N 0.99 0.55 -0.36 0.20 3.64 -1.13 -0.55 116.57 119.89 1jk1 h LYS 179 Ca 0.24 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.56 1jk1 h LYS 179 Cb 0.15 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 1jk1 h LYS 179 CO -0.03 0.39 0.14 -0.09 -2.27 0.00 0.00 179.45 177.59 1jk1 h ARG 180 N 0.55 0.51 0.08 1.90 2.43 -1.11 -3.26 114.38 115.47 1jk1 h ARG 180 Ca 0.15 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1jk1 h ARG 180 Cb -0.03 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.42 1jk1 h ARG 180 CO -0.03 0.43 -0.04 1.25 -1.51 0.00 0.00 179.97 180.07 1jk1 h HIS 181 N 0.51 -0.09 -1.02 2.20 2.76 -0.48 -3.34 115.15 115.68 1jk1 h HIS 181 Ca 0.13 -0.00 0.25 0.00 -2.20 0.00 0.00 60.37 58.55 1jk1 h HIS 181 Cb 0.11 0.03 -0.11 0.00 1.55 0.00 0.00 27.41 28.99 1jk1 h HIS 181 CO 0.00 0.45 0.63 1.15 -1.30 0.00 0.00 177.93 178.87 1jk1 h THR 182 N -0.74 0.53 -0.01 6.26 2.02 -1.17 0.49 112.91 120.29 1jk1 h THR 182 Ca -0.01 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.00 1jk1 h THR 182 Cb 0.59 -0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 66.99 1jk1 h THR 182 CO 0.02 0.09 0.08 0.11 0.37 0.00 0.00 175.52 176.18 1jk1 h LYS 183 N 0.50 0.00 0.00 6.66 1.57 -1.68 -2.17 116.57 121.45 1jk1 h LYS 183 Ca 0.62 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.40 1jk1 h LYS 183 Cb 1.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.67 1jk1 h LYS 183 CO -0.39 0.00 0.00 0.44 -0.57 0.00 0.00 179.45 178.93 1jk1 n ILE 184 N -3.13 0.73 1.78 1.86 -5.35 0.16 -2.84 119.36 112.56 1jk1 n ILE 184 Ca -0.03 0.16 0.15 0.00 -0.27 0.00 0.00 62.75 62.76 1jk1 n ILE 184 Cb 0.15 -0.89 0.75 0.00 -1.74 0.00 0.00 39.64 37.90 1jk1 n ILE 184 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 1jk1 n HIS 185 N -1.67 0.01 0.03 4.28 8.25 -0.81 -3.08 115.22 122.22 1jk1 n HIS 185 Ca 0.04 -0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.30 1jk1 n HIS 185 Cb 0.23 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.20 1jk1 n HIS 185 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1jk1 h LEU 186 N 1.02 0.42 0.00 2.41 3.38 -1.74 -3.54 115.31 117.25 1jk1 h LEU 186 Ca 0.00 -0.81 0.00 0.00 0.09 0.00 0.00 57.88 57.16 1jk1 h LEU 186 Cb 0.22 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1jk1 h LEU 186 CO 0.00 1.71 0.00 -1.14 0.09 0.00 0.00 178.44 179.10