#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1un6 s TYR 105 N 0.00 2.35 -0.02 2.03 2.02 0.20 -4.97 117.35 118.95 1un6 s TYR 105 Ca 0.00 -1.39 0.08 0.00 -0.37 0.00 0.00 57.07 55.38 1un6 s TYR 105 Cb 0.00 -1.67 -0.02 0.00 -0.40 0.00 0.00 41.96 39.87 1un6 s TYR 105 CO 0.00 -0.71 -0.25 0.08 -1.57 0.00 0.00 175.55 173.10 1un6 s VAL 106 N 1.43 1.97 0.28 0.71 1.01 -1.26 0.11 120.40 124.64 1un6 s VAL 106 Ca 0.03 -1.06 -0.00 0.00 0.00 0.00 0.00 61.98 60.95 1un6 s VAL 106 Cb -0.14 -1.64 -0.04 0.00 0.00 0.00 0.00 36.38 34.57 1un6 s VAL 106 CO -0.10 0.56 0.47 0.00 0.00 0.00 0.00 175.10 176.03 1un6 n HIS 108 N -1.23 0.00 -0.05 0.00 8.25 -1.26 -3.29 115.22 117.64 1un6 n HIS 108 Ca -0.05 -0.43 -0.01 0.00 -0.26 0.00 0.00 57.72 56.97 1un6 n HIS 108 Cb 0.55 -0.07 -0.01 0.00 1.12 0.00 0.00 29.99 31.58 1un6 n HIS 108 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1un6 n PHE 109 N -0.56 -0.06 -2.79 4.41 7.35 -1.26 -2.31 117.46 122.24 1un6 n PHE 109 Ca 0.05 0.16 -0.11 0.00 -0.76 0.00 0.00 57.45 56.79 1un6 n PHE 109 Cb 0.51 -0.31 0.04 0.00 0.35 0.00 0.00 39.48 40.07 1un6 n PHE 109 CO 0.00 0.00 0.00 -1.91 -0.76 0.00 0.00 176.76 174.09 1un6 n GLU 110 N -3.21 1.10 -2.24 -4.13 2.13 -1.26 -4.89 120.64 108.15 1un6 n GLU 110 Ca 0.00 -2.87 -0.15 0.00 0.66 0.00 0.00 57.16 54.80 1un6 n GLU 110 Cb 0.03 -1.08 -0.01 0.00 0.27 0.00 0.00 31.44 30.65 1un6 n GLU 110 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1un6 n ASN 111 N -0.06 -4.51 -0.34 4.31 3.02 -0.98 -4.89 115.26 111.81 1un6 n ASN 111 Ca 0.10 0.01 0.22 0.00 -0.03 0.00 0.00 54.58 54.88 1un6 n ASN 111 Cb 0.78 -3.64 0.46 0.00 -0.61 0.00 0.00 39.78 36.77 1un6 n ASN 111 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1un6 n GLY 113 N -1.34 1.57 0.00 0.00 0.00 -1.21 -4.95 105.19 99.27 1un6 n GLY 113 Ca 0.30 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1un6 n GLY 113 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1un6 n LYS 114 N 0.00 0.00 -4.26 1.61 4.76 -1.26 -4.45 118.16 114.56 1un6 n LYS 114 Ca 0.00 0.00 -0.34 0.00 -2.87 0.00 0.00 58.31 55.10 1un6 n LYS 114 Cb 0.00 0.00 -0.12 0.00 -1.84 0.00 0.00 35.03 33.07 1un6 n LYS 114 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1un6 s ALA 115 N 0.00 3.00 0.06 7.82 0.00 -1.26 -3.21 121.76 128.17 1un6 s ALA 115 Ca 0.00 -0.90 0.08 0.00 0.00 0.00 0.00 51.96 51.15 1un6 s ALA 115 Cb 0.00 -1.64 -0.03 0.00 0.00 0.00 0.00 23.12 21.45 1un6 s ALA 115 CO 0.00 0.05 -0.22 -0.06 0.00 0.00 0.00 175.76 175.54 1un6 s PHE 116 N 0.64 2.45 0.00 0.00 0.08 0.30 -4.94 117.98 116.52 1un6 s PHE 116 Ca -0.02 -0.32 -0.22 0.00 0.12 0.00 0.00 56.93 56.50 1un6 s PHE 116 Cb -0.14 -1.40 -0.19 0.00 -0.57 0.00 0.00 43.02 40.72 1un6 s PHE 116 CO 0.02 0.24 1.21 -0.22 -0.10 0.00 0.00 175.22 176.38 1un6 h LYS 117 N 4.42 0.29 -5.92 0.44 3.64 -1.96 0.57 116.57 118.06 1un6 h LYS 117 Ca -0.48 -0.21 -0.68 0.00 -1.27 0.00 0.00 60.65 58.02 1un6 h LYS 117 Cb 1.15 0.03 -0.23 0.00 -0.41 0.00 0.00 32.23 32.78 1un6 h LYS 117 CO 0.45 0.83 -0.74 0.15 -2.27 0.00 0.00 179.45 177.87 1un6 s LYS 118 N -3.81 2.91 0.00 1.90 1.02 -1.26 -4.55 119.74 115.95 1un6 s LYS 118 Ca -0.15 -0.64 0.05 0.00 0.02 0.00 0.00 55.97 55.25 1un6 s LYS 118 Cb 0.03 -2.55 0.25 0.00 -0.52 0.00 0.00 37.83 35.05 1un6 s LYS 118 CO 0.75 0.49 0.91 -2.39 -0.92 0.00 0.00 175.35 174.19 1un6 n HIS 119 N 2.73 0.00 0.03 3.18 1.44 -1.26 -1.36 115.22 119.98 1un6 n HIS 119 Ca -0.18 0.00 -0.21 0.00 -2.01 0.00 0.00 57.72 55.32 1un6 n HIS 119 Cb 0.53 -0.19 -0.14 0.00 0.12 0.00 0.00 29.99 30.30 1un6 n HIS 119 CO 0.00 0.00 0.00 -0.91 -2.81 0.00 0.00 176.34 172.62 1un6 h ASN 120 N 0.00 0.44 -0.77 4.39 2.35 -1.98 -3.03 115.58 116.97 1un6 h ASN 120 Ca 0.00 -0.90 0.11 0.00 -0.55 0.00 0.00 56.30 54.96 1un6 h ASN 120 Cb 0.03 -0.14 -0.05 0.00 0.05 0.00 0.00 38.32 38.20 1un6 h ASN 120 CO 0.00 1.52 0.51 1.56 -1.65 0.00 0.00 177.43 179.36 1un6 h GLN 121 N -0.32 0.61 0.26 0.81 4.20 -1.65 -0.68 115.11 118.34 1un6 h GLN 121 Ca -0.23 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.43 1un6 h GLN 121 Cb 1.72 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 29.37 1un6 h GLN 121 CO 0.11 0.40 -0.12 1.25 -0.67 0.00 0.00 178.83 179.80 1un6 h LEU 122 N 0.63 -0.29 -0.75 1.46 5.85 -1.59 -1.95 115.31 118.67 1un6 h LEU 122 Ca 0.37 0.01 0.14 0.00 0.84 0.00 0.00 57.88 59.24 1un6 h LEU 122 Cb 0.57 0.08 -0.14 0.00 0.37 0.00 0.00 40.66 41.53 1un6 h LEU 122 CO -0.14 -0.19 -0.24 0.50 -0.34 0.00 0.00 178.44 178.04 1un6 h LYS 123 N -0.38 -0.03 -0.71 1.25 3.64 -1.37 0.36 116.57 119.33 1un6 h LYS 123 Ca -0.04 0.00 0.14 0.00 -1.27 0.00 0.00 60.65 59.49 1un6 h LYS 123 Cb 0.26 0.01 -0.10 0.00 -0.41 0.00 0.00 32.23 31.99 1un6 h LYS 123 CO 0.06 -0.02 0.18 0.28 -2.27 0.00 0.00 179.45 177.68 1un6 h VAL 124 N -0.03 0.57 0.00 2.00 2.07 -1.14 0.98 116.25 120.70 1un6 h VAL 124 Ca 0.34 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.76 1un6 h VAL 124 Cb 0.56 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1un6 h VAL 124 CO -0.78 0.05 0.00 1.57 0.02 0.00 0.00 177.57 178.43 1un6 n HIS 125 N -5.13 0.72 1.49 1.57 -0.00 0.12 -2.40 115.22 111.60 1un6 n HIS 125 Ca 0.13 0.35 0.07 0.00 -0.00 0.00 0.00 57.72 58.27 1un6 n HIS 125 Cb 0.42 -1.06 0.40 0.00 -0.00 0.00 0.00 29.99 29.75 1un6 n HIS 125 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 1un6 n GLN 126 N -2.22 0.75 -0.00 1.57 3.00 0.34 -3.26 117.38 117.55 1un6 n GLN 126 Ca -0.01 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.86 1un6 n GLN 126 Cb 0.08 -1.29 -0.10 0.00 0.00 0.00 0.00 30.24 28.94 1un6 n GLN 126 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.06 177.41 1un6 h PHE 127 N 0.00 -0.01 0.01 1.08 -0.00 -1.65 -3.31 116.94 113.06 1un6 h PHE 127 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.97 1un6 h PHE 127 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 35.95 1un6 h PHE 127 CO 0.00 0.42 -0.02 0.66 -0.00 0.00 0.00 178.31 179.37 1un6 h SER 128 N -0.45 -0.06 -3.93 0.41 4.64 -1.83 -3.28 113.55 109.05 1un6 h SER 128 Ca -0.00 0.01 -0.54 0.00 -0.47 0.00 0.00 61.79 60.79 1un6 h SER 128 Cb 0.44 0.02 0.19 0.00 -0.31 0.00 0.00 62.40 62.74 1un6 h SER 128 CO 0.00 -0.02 0.06 1.41 -0.87 0.00 0.00 176.83 177.41 1un6 n HIS 129 N -2.53 0.47 0.00 4.77 8.25 -1.24 -4.46 115.22 120.47 1un6 n HIS 129 Ca -0.00 0.37 0.00 0.00 -0.26 0.00 0.00 57.72 57.83 1un6 n HIS 129 Cb 0.02 -2.01 0.00 0.00 1.12 0.00 0.00 29.99 29.12 1un6 n HIS 129 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1un6 n THR 130 N -3.35 0.00 0.00 1.59 -2.24 -1.26 -4.77 114.28 104.25 1un6 n THR 130 Ca 0.12 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 1un6 n THR 130 Cb 0.51 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 1un6 n THR 130 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1un6 n GLN 131 N 14.00 0.00 -1.50 -0.78 1.13 -1.24 -5.00 117.38 123.99 1un6 n GLN 131 Ca 0.00 0.00 -0.54 0.00 -1.94 0.00 0.00 57.00 54.52 1un6 n GLN 131 Cb 0.00 0.00 -0.06 0.00 0.11 0.00 0.00 30.24 30.29 1un6 n GLN 131 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1un6 n GLN 132 N -0.55 0.31 -2.12 -1.09 6.02 -1.26 -4.80 117.38 113.89 1un6 n GLN 132 Ca 0.00 0.11 -0.43 0.00 -0.01 0.00 0.00 57.00 56.68 1un6 n GLN 132 Cb 0.00 -1.51 -0.03 0.00 1.02 0.00 0.00 30.24 29.72 1un6 n GLN 132 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1un6 s LEU 133 N 0.83 4.18 0.15 1.08 1.43 -1.26 -4.68 118.68 120.40 1un6 s LEU 133 Ca 0.81 1.97 -0.27 0.00 -1.03 0.00 0.00 54.13 55.60 1un6 s LEU 133 Cb -1.09 -3.53 -0.01 0.00 0.03 0.00 0.00 46.19 41.59 1un6 s LEU 133 CO 0.55 -0.98 1.57 1.55 0.23 0.00 0.00 176.35 179.27 1un6 h PRO 134 N 9.60 -0.33 -6.17 1.29 0.13 -1.83 -3.41 132.00 131.28 1un6 h PRO 134 Ca -0.35 0.02 -0.57 0.00 -0.87 0.00 0.00 66.00 64.24 1un6 h PRO 134 Cb 1.16 0.07 -0.04 0.00 0.13 0.00 0.00 31.00 32.32 1un6 h PRO 134 CO 0.97 -0.22 0.92 0.71 -0.23 0.00 0.00 178.00 180.15 1un6 s TYR 135 N -5.85 2.75 0.30 1.56 2.02 -1.05 -4.91 117.35 112.18 1un6 s TYR 135 Ca -0.15 0.91 0.08 0.00 -0.37 0.00 0.00 57.07 57.54 1un6 s TYR 135 Cb 0.11 -3.55 -0.03 0.00 -0.40 0.00 0.00 41.96 38.09 1un6 s TYR 135 CO 0.65 -1.96 0.23 -2.00 -1.57 0.00 0.00 175.55 170.90 1un6 s GLU 136 N 3.53 2.73 -0.19 -0.62 2.12 -1.26 0.12 118.70 125.13 1un6 s GLU 136 Ca 0.57 -1.25 -0.08 0.00 0.36 0.00 0.00 54.97 54.57 1un6 s GLU 136 Cb -0.23 -2.46 -0.04 0.00 0.26 0.00 0.00 34.13 31.65 1un6 s GLU 136 CO 0.17 0.21 0.09 0.00 -0.54 0.00 0.00 175.26 175.19 1un6 h PRO 138 N 6.70 0.00 -6.87 0.00 0.13 -1.92 -3.45 132.00 126.59 1un6 h PRO 138 Ca -0.39 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.18 1un6 h PRO 138 Cb 1.16 0.00 0.14 0.00 0.13 0.00 0.00 31.00 32.43 1un6 h PRO 138 CO 0.73 0.49 0.37 1.58 -0.23 0.00 0.00 178.00 180.93 1un6 n HIS 139 N -3.44 1.65 -1.73 1.56 -0.00 -1.26 -4.87 115.22 107.14 1un6 n HIS 139 Ca 0.00 0.47 -0.42 0.00 0.46 0.00 0.00 57.72 58.23 1un6 n HIS 139 Cb 0.62 -2.28 -0.02 0.00 -0.12 0.00 0.00 29.99 28.19 1un6 n HIS 139 CO 0.00 0.00 0.00 -1.91 0.46 0.00 0.00 176.34 174.89 1un6 n GLU 140 N -0.60 2.60 -3.75 1.57 4.07 -1.26 -3.48 120.64 119.78 1un6 n GLU 140 Ca 0.10 0.93 -0.27 0.00 -0.06 0.00 0.00 57.16 57.86 1un6 n GLU 140 Cb 0.43 -2.70 0.02 0.00 -0.06 0.00 0.00 31.44 29.14 1un6 n GLU 140 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1un6 n GLY 141 N 2.51 -0.61 2.40 8.31 0.00 -1.26 -4.97 105.19 111.57 1un6 n GLY 141 Ca 0.11 0.30 -0.27 0.00 0.00 0.00 0.00 46.02 46.15 1un6 n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1un6 n ASP 143 N 2.86 0.26 -4.77 0.00 8.00 -1.26 -4.47 116.55 117.16 1un6 n ASP 143 Ca 0.30 -0.29 -0.39 0.00 0.71 0.00 0.00 54.79 55.12 1un6 n ASP 143 Cb 0.48 -0.07 -0.06 0.00 -0.02 0.00 0.00 41.12 41.44 1un6 n ASP 143 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1un6 s LYS 144 N -0.26 4.60 0.19 -1.24 2.20 -1.26 -4.96 119.74 119.02 1un6 s LYS 144 Ca 0.00 1.22 0.08 0.00 -0.36 0.00 0.00 55.97 56.91 1un6 s LYS 144 Cb 0.00 -3.18 -0.05 0.00 -1.51 0.00 0.00 37.83 33.09 1un6 s LYS 144 CO 0.00 0.51 -0.15 1.03 -0.36 0.00 0.00 175.35 176.39 1un6 s ARG 145 N -1.33 1.28 0.20 4.03 0.52 -1.26 -1.98 118.95 120.42 1un6 s ARG 145 Ca 0.39 -1.53 -0.01 0.00 -0.52 0.00 0.00 55.73 54.06 1un6 s ARG 145 Cb -0.23 -1.11 -0.04 0.00 0.52 0.00 0.00 34.95 34.10 1un6 s ARG 145 CO 0.27 0.19 0.14 -0.06 0.02 0.00 0.00 175.30 175.86 1un6 s PHE 146 N -2.80 1.15 -0.08 -0.53 0.40 0.32 -4.98 117.98 111.45 1un6 s PHE 146 Ca 0.20 -1.37 -0.02 0.00 -0.60 0.00 0.00 56.93 55.15 1un6 s PHE 146 Cb -0.02 -0.54 -0.01 0.00 0.51 0.00 0.00 43.02 42.96 1un6 s PHE 146 CO 0.06 -0.65 0.07 0.77 0.70 0.00 0.00 175.22 176.17 1un6 h SER 147 N 2.60 -0.05 -1.07 1.36 0.02 -1.92 -2.77 113.55 111.73 1un6 h SER 147 Ca -0.36 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.05 1un6 h SER 147 Cb 1.25 0.01 -0.04 0.00 0.14 0.00 0.00 62.40 63.76 1un6 h SER 147 CO 0.52 0.40 -0.34 -0.76 -1.14 0.00 0.00 176.83 175.51 1un6 s LEU 148 N -8.15 3.04 0.12 5.07 1.02 -1.26 -4.56 118.68 113.96 1un6 s LEU 148 Ca -0.01 -1.01 0.08 0.00 0.02 0.00 0.00 54.13 53.21 1un6 s LEU 148 Cb 0.00 -1.57 -0.20 0.00 0.02 0.00 0.00 46.19 44.44 1un6 s LEU 148 CO 0.02 -0.88 1.27 1.55 0.02 0.00 0.00 176.35 178.33 1un6 h PRO 149 N 0.90 0.00 -0.51 1.29 0.13 -1.96 -3.22 132.00 128.62 1un6 h PRO 149 Ca -0.39 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.69 1un6 h PRO 149 Cb 1.28 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.39 1un6 h PRO 149 CO 0.58 0.96 0.14 0.66 -0.23 0.00 0.00 178.00 180.10 1un6 h SER 150 N 0.00 0.77 0.07 1.44 4.64 -2.00 -1.60 113.55 116.86 1un6 h SER 150 Ca -0.02 -0.22 -0.01 0.00 -0.47 0.00 0.00 61.79 61.07 1un6 h SER 150 Cb 1.76 -0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 63.64 1un6 h SER 150 CO 0.12 0.79 -0.03 -0.09 -0.87 0.00 0.00 176.83 176.76 1un6 h ARG 151 N 0.71 0.00 0.00 4.77 2.43 -1.98 -2.81 114.38 117.50 1un6 h ARG 151 Ca 0.16 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.29 1un6 h ARG 151 Cb 0.32 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 1un6 h ARG 151 CO -0.00 0.03 -0.26 1.25 -1.51 0.00 0.00 179.97 179.48 1un6 h LEU 152 N 0.00 0.00 -0.95 3.80 5.85 -1.40 -3.20 115.31 119.41 1un6 h LEU 152 Ca -0.00 -0.82 0.29 0.00 0.84 0.00 0.00 57.88 58.18 1un6 h LEU 152 Cb 0.07 0.00 -0.15 0.00 0.37 0.00 0.00 40.66 40.94 1un6 h LEU 152 CO 0.00 1.06 0.35 0.50 -0.34 0.00 0.00 178.44 180.02 1un6 h LYS 153 N -1.00 0.19 -0.07 1.25 3.11 -1.12 0.52 116.57 119.46 1un6 h LYS 153 Ca -0.07 -0.01 -0.12 0.00 -2.81 0.00 0.00 60.65 57.64 1un6 h LYS 153 Cb 0.99 -0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 32.16 1un6 h LYS 153 CO -0.04 0.13 -0.49 -0.09 -2.81 0.00 0.00 179.45 176.14 1un6 h ARG 154 N 0.20 0.17 -0.35 1.90 2.43 -1.62 -3.13 114.38 113.97 1un6 h ARG 154 Ca 0.65 -0.09 -0.14 0.00 -0.81 0.00 0.00 59.98 59.59 1un6 h ARG 154 Cb 1.44 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.99 1un6 h ARG 154 CO -0.69 0.63 -0.31 1.25 -1.51 0.00 0.00 179.97 179.34 1un6 h HIS 155 N 0.14 0.99 0.00 2.20 2.76 0.02 -3.00 115.15 118.25 1un6 h HIS 155 Ca 0.01 -0.29 0.00 0.00 -2.20 0.00 0.00 60.37 57.89 1un6 h HIS 155 Cb 0.92 -0.21 0.00 0.00 1.55 0.00 0.00 27.41 29.67 1un6 h HIS 155 CO 0.01 1.07 0.11 0.93 -1.30 0.00 0.00 177.93 178.76 1un6 h GLU 156 N 0.62 0.00 0.00 5.26 5.08 -1.27 0.13 114.58 124.41 1un6 h GLU 156 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1un6 h GLU 156 Cb 0.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.14 1un6 h GLU 156 CO 0.08 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.72 1un6 n LYS 157 N -2.65 0.14 0.00 2.33 5.02 -1.13 -2.12 118.16 119.75 1un6 n LYS 157 Ca -0.02 0.57 0.00 0.00 -2.02 0.00 0.00 58.31 56.84 1un6 n LYS 157 Cb 0.16 -1.91 0.00 0.00 -0.02 0.00 0.00 35.03 33.26 1un6 n LYS 157 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1un6 n VAL 158 N -2.21 0.00 0.03 -0.18 0.31 0.47 -3.12 118.33 113.64 1un6 n VAL 158 Ca -0.00 0.75 0.01 0.00 -0.01 0.00 0.00 64.34 65.09 1un6 n VAL 158 Cb 0.08 -1.47 0.06 0.00 -0.91 0.00 0.00 33.84 31.60 1un6 n VAL 158 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1un6 n HIS 159 N -1.00 0.07 0.15 3.52 8.25 -1.14 -2.60 115.22 122.47 1un6 n HIS 159 Ca 0.00 0.04 -0.13 0.00 -0.26 0.00 0.00 57.72 57.37 1un6 n HIS 159 Cb 0.00 -0.32 -0.08 0.00 1.12 0.00 0.00 29.99 30.71 1un6 n HIS 159 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1un6 h ALA 160 N 1.04 -0.41 0.00 -1.41 0.00 -1.36 -3.50 119.26 113.61 1un6 h ALA 160 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1un6 h ALA 160 Cb 0.52 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1un6 h ALA 160 CO 0.00 -0.53 0.00 0.41 0.00 0.00 0.00 179.25 179.13 1un6 n GLY 161 N -0.15 -0.98 0.09 0.00 0.00 -1.07 -5.01 105.19 98.08 1un6 n GLY 161 Ca -0.09 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.29 1un6 n GLY 161 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1un6 n TYR 162 N 0.00 0.00 -2.65 1.61 4.01 -1.26 -4.18 117.16 114.70 1un6 n TYR 162 Ca 0.00 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.33 1un6 n TYR 162 Cb 0.00 -0.14 -0.04 0.00 -0.31 0.00 0.00 39.34 38.85 1un6 n TYR 162 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1un6 s PRO 163 N -2.06 4.67 -0.12 -0.72 0.04 -1.26 -2.08 135.00 133.46 1un6 s PRO 163 Ca 0.00 1.56 -0.30 0.00 0.04 0.00 0.00 61.00 62.30 1un6 s PRO 163 Cb 0.00 -3.33 -0.02 0.00 0.04 0.00 0.00 34.50 31.19 1un6 s PRO 163 CO 0.00 0.18 1.19 0.00 0.04 0.00 0.00 177.00 178.40 1un6 n LYS 165 N 5.79 2.07 0.00 0.00 5.02 -1.26 -4.52 118.16 125.26 1un6 n LYS 165 Ca 0.12 -3.51 0.14 0.00 -2.02 0.00 0.00 58.31 53.04 1un6 n LYS 165 Cb 0.46 -1.78 0.61 0.00 -0.02 0.00 0.00 35.03 34.31 1un6 n LYS 165 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1un6 n LYS 166 N -1.02 1.01 0.00 1.97 3.00 -1.26 -4.92 118.16 116.94 1un6 n LYS 166 Ca 0.25 -0.42 0.00 0.00 -0.00 0.00 0.00 58.31 58.14 1un6 n LYS 166 Cb 0.76 -1.49 0.00 0.00 0.00 0.00 0.00 35.03 34.30 1un6 n LYS 166 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1un6 n ASP 167 N -0.63 0.00 0.13 3.14 -0.08 -1.26 -5.02 116.55 112.83 1un6 n ASP 167 Ca 0.17 0.00 -0.14 0.00 -1.51 0.00 0.00 54.79 53.31 1un6 n ASP 167 Cb 0.28 0.00 -0.08 0.00 2.34 0.00 0.00 41.12 43.66 1un6 n ASP 167 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 1un6 h ASP 168 N 0.00 -0.23 -1.24 1.67 3.45 -1.95 -2.53 116.42 115.59 1un6 h ASP 168 Ca 0.00 -0.03 0.38 0.00 0.43 0.00 0.00 57.03 57.81 1un6 h ASP 168 Cb 0.00 0.06 -0.11 0.00 -0.56 0.00 0.00 39.33 38.72 1un6 h ASP 168 CO 0.00 -0.12 0.81 0.77 -1.57 0.00 0.00 179.24 179.12 1un6 h SER 169 N -0.32 0.29 -3.32 6.45 4.64 -2.00 -3.37 113.55 115.90 1un6 h SER 169 Ca -0.03 0.12 -0.58 0.00 -0.47 0.00 0.00 61.79 60.83 1un6 h SER 169 Cb 0.25 0.09 -0.08 0.00 -0.31 0.00 0.00 62.40 62.35 1un6 h SER 169 CO 0.05 -0.10 -0.13 0.00 -0.87 0.00 0.00 176.83 175.78 1un6 n SER 171 N 3.65 2.68 -4.85 0.00 3.41 -1.26 -4.68 113.62 112.57 1un6 n SER 171 Ca -0.07 -2.95 -0.32 0.00 -0.26 0.00 0.00 58.87 55.27 1un6 n SER 171 Cb 0.52 -0.48 -0.04 0.00 -0.26 0.00 0.00 64.21 63.94 1un6 n SER 171 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1un6 s PHE 172 N -3.41 3.43 -0.27 7.33 5.36 -1.26 -4.95 117.98 124.20 1un6 s PHE 172 Ca 0.35 1.31 -0.01 0.00 -0.96 0.00 0.00 56.93 57.62 1un6 s PHE 172 Cb 0.41 -2.65 0.13 0.00 -0.34 0.00 0.00 43.02 40.58 1un6 s PHE 172 CO -0.03 -0.19 0.31 0.08 -1.46 0.00 0.00 175.22 173.92 1un6 s VAL 173 N -2.41 -0.44 0.58 3.12 1.01 -1.26 -0.96 120.40 120.05 1un6 s VAL 173 Ca 0.56 -0.38 -0.12 0.00 0.00 0.00 0.00 61.98 62.04 1un6 s VAL 173 Cb -0.10 -0.93 -0.05 0.00 0.00 0.00 0.00 36.38 35.30 1un6 s VAL 173 CO 0.27 -0.38 1.00 -0.83 0.00 0.00 0.00 175.10 175.16 1un6 s GLY 174 N 2.39 1.77 0.24 4.51 0.00 -0.89 -4.95 107.32 110.39 1un6 s GLY 174 Ca 0.09 -0.04 0.24 0.00 0.00 0.00 0.00 44.72 45.01 1un6 s GLY 174 CO -0.29 0.22 1.35 0.50 0.00 0.00 0.00 173.10 174.89 1un6 h LYS 175 N 0.08 0.00 -4.00 2.90 6.56 -1.88 -3.35 116.57 116.88 1un6 h LYS 175 Ca -0.45 0.00 -0.11 0.00 -1.06 0.00 0.00 60.65 59.03 1un6 h LYS 175 Cb 1.19 0.00 -0.16 0.00 -0.57 0.00 0.00 32.23 32.69 1un6 h LYS 175 CO 0.62 0.00 -0.55 0.95 -2.06 0.00 0.00 179.45 178.41 1un6 s THR 176 N -3.24 0.17 0.18 -0.16 -4.23 -1.26 -4.86 115.64 102.24 1un6 s THR 176 Ca 0.05 -1.43 -0.13 0.00 -1.18 0.00 0.00 61.69 59.00 1un6 s THR 176 Cb 0.10 -1.27 0.08 0.00 1.34 0.00 0.00 72.50 72.75 1un6 s THR 176 CO 0.72 -0.79 1.77 -0.25 -0.54 0.00 0.00 174.62 175.53 1un6 h TRP 177 N 3.21 0.43 -0.10 3.99 2.91 -1.91 0.18 115.95 124.66 1un6 h TRP 177 Ca -0.34 0.02 0.04 0.00 1.13 0.00 0.00 58.89 59.75 1un6 h TRP 177 Cb 1.17 -0.12 -0.05 0.00 -0.51 0.00 0.00 29.16 29.66 1un6 h TRP 177 CO 0.51 0.19 -0.18 1.15 -1.03 0.00 0.00 178.44 179.08 1un6 h THR 178 N 0.46 0.55 -0.71 2.65 2.02 -1.99 -0.69 112.91 115.20 1un6 h THR 178 Ca 0.23 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.42 1un6 h THR 178 Cb 0.18 0.55 -0.04 0.00 -1.74 0.00 0.00 68.15 67.10 1un6 h THR 178 CO -0.19 0.00 0.47 -0.07 0.37 0.00 0.00 175.52 176.10 1un6 h LEU 179 N -0.24 0.81 -1.61 2.58 3.38 -1.69 -0.23 115.31 118.32 1un6 h LEU 179 Ca 0.09 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.06 1un6 h LEU 179 Cb 0.36 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1un6 h LEU 179 CO -0.24 0.59 0.30 0.22 0.09 0.00 0.00 178.44 179.40 1un6 h TYR 180 N 0.96 0.49 -0.13 1.13 3.20 -0.28 -0.93 116.97 121.41 1un6 h TYR 180 Ca 0.26 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 62.07 1un6 h TYR 180 Cb -0.11 -0.16 -0.00 0.00 1.54 0.00 0.00 36.73 37.99 1un6 h TYR 180 CO -0.02 0.29 -0.20 -0.07 -1.64 0.00 0.00 178.16 176.52 1un6 h LEU 181 N 0.52 0.40 -1.06 2.82 3.38 0.42 -2.83 115.31 118.96 1un6 h LEU 181 Ca 0.18 -0.53 0.05 0.00 0.09 0.00 0.00 57.88 57.67 1un6 h LEU 181 Cb 0.07 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 40.65 1un6 h LEU 181 CO -0.04 0.85 0.63 0.11 0.09 0.00 0.00 178.44 180.08 1un6 h LYS 182 N -0.04 1.14 0.06 1.13 1.57 -0.61 0.16 116.57 119.98 1un6 h LYS 182 Ca 0.01 -0.07 0.02 0.00 -1.87 0.00 0.00 60.65 58.74 1un6 h LYS 182 Cb 0.77 -0.26 -0.05 0.00 0.08 0.00 0.00 32.23 32.77 1un6 h LYS 182 CO 0.05 0.75 -0.52 1.25 -0.57 0.00 0.00 179.45 180.41 1un6 h HIS 183 N 1.17 -1.52 -0.05 -1.35 2.76 -1.07 0.97 115.15 116.06 1un6 h HIS 183 Ca 0.40 0.04 0.01 0.00 -2.20 0.00 0.00 60.37 58.63 1un6 h HIS 183 Cb 0.10 0.65 -0.00 0.00 1.55 0.00 0.00 27.41 29.71 1un6 h HIS 183 CO -0.00 -0.58 0.03 0.28 -1.30 0.00 0.00 177.93 176.36 1un6 h VAL 184 N -0.71 0.97 0.00 5.26 2.07 -1.08 -0.71 116.25 122.05 1un6 h VAL 184 Ca 0.01 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.53 1un6 h VAL 184 Cb 0.74 0.98 -0.00 0.00 -1.52 0.00 0.00 31.29 31.49 1un6 h VAL 184 CO -0.32 0.00 -0.00 0.00 0.02 0.00 0.00 177.57 177.27 1un6 h ALA 185 N 1.98 1.50 0.00 1.67 0.00 0.19 -3.20 119.26 121.40 1un6 h ALA 185 Ca 0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1un6 h ALA 185 Cb 0.09 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1un6 h ALA 185 CO -0.00 0.00 -0.65 -0.85 0.00 0.00 0.00 179.25 177.75 1un6 n GLU 186 N -3.81 0.00 0.21 0.00 0.28 -0.75 -4.82 120.64 111.75 1un6 n GLU 186 Ca -0.03 0.00 0.14 0.00 -0.16 0.00 0.00 57.16 57.11 1un6 n GLU 186 Cb 0.08 -0.51 0.76 0.00 1.43 0.00 0.00 31.44 33.20 1un6 n GLU 186 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1un6 s HIS 188 N -4.86 1.86 -0.04 0.00 3.76 -1.21 -5.06 115.29 109.73 1un6 s HIS 188 Ca -0.05 -2.21 0.05 0.00 -0.15 0.00 0.00 55.06 52.70 1un6 s HIS 188 Cb 0.17 -1.80 -0.02 0.00 1.11 0.00 0.00 32.58 32.04 1un6 s HIS 188 CO 0.62 -0.81 -0.18 -0.65 -0.85 0.00 0.00 174.74 172.87 1un6 s GLN 189 N 0.72 2.43 0.00 1.40 -1.52 -1.26 -4.77 119.66 116.67 1un6 s GLN 189 Ca 0.16 -0.76 0.00 0.00 -1.95 0.00 0.00 55.36 52.81 1un6 s GLN 189 Cb -0.23 -2.29 0.00 0.00 -0.22 0.00 0.00 33.01 30.27 1un6 s GLN 189 CO -0.06 0.59 0.00 -0.25 -0.25 0.00 0.00 175.29 175.32