#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dk1 n ILE 102 N 0.00 0.00 -0.26 0.52 5.41 -1.26 -4.94 119.36 118.84 1dk1 n ILE 102 Ca 0.00 0.00 0.03 0.00 1.00 0.00 0.00 62.75 63.78 1dk1 n ILE 102 Cb 0.00 0.00 -0.01 0.00 -0.71 0.00 0.00 39.64 38.92 1dk1 n ILE 102 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 1dk1 n THR 103 N 0.00 -0.06 -0.33 1.39 -1.04 -1.26 -4.22 114.28 108.76 1dk1 n THR 103 Ca 0.00 0.12 -0.02 0.00 -2.04 0.00 0.00 64.05 62.11 1dk1 n THR 103 Cb 0.00 -0.20 0.10 0.00 -1.82 0.00 0.00 70.33 68.41 1dk1 n THR 103 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 1dk1 h LYS 104 N -0.25 1.14 -0.68 -2.82 6.56 -1.95 0.47 116.57 119.03 1dk1 h LYS 104 Ca -0.02 -0.07 0.00 0.00 -1.06 0.00 0.00 60.65 59.50 1dk1 h LYS 104 Cb 0.24 -0.26 0.00 0.00 -0.57 0.00 0.00 32.23 31.65 1dk1 h LYS 104 CO 0.01 0.75 0.00 -1.91 -2.06 0.00 0.00 179.45 176.24 1dk1 n GLU 105 N -4.49 0.27 0.03 3.15 2.13 -1.26 -0.59 120.64 119.87 1dk1 n GLU 105 Ca 0.11 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.93 1dk1 n GLU 105 Cb 0.05 -1.20 0.00 0.00 0.27 0.00 0.00 31.44 30.56 1dk1 n GLU 105 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1dk1 n GLU 106 N 0.51 0.00 -0.23 5.31 -0.58 -0.61 -4.76 120.64 120.28 1dk1 n GLU 106 Ca 0.00 0.00 0.06 0.00 -0.42 0.00 0.00 57.16 56.80 1dk1 n GLU 106 Cb 0.09 0.00 0.31 0.00 -0.57 0.00 0.00 31.44 31.27 1dk1 n GLU 106 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 1dk1 h LYS 107 N 0.00 0.83 0.04 3.49 3.64 -0.04 0.76 116.57 125.29 1dk1 h LYS 107 Ca 0.00 -0.05 -0.24 0.00 -1.27 0.00 0.00 60.65 59.09 1dk1 h LYS 107 Cb 0.00 -0.19 0.01 0.00 -0.41 0.00 0.00 32.23 31.64 1dk1 h LYS 107 CO 0.00 0.55 -1.03 0.37 -2.27 0.00 0.00 179.45 177.07 1dk1 h GLN 108 N 0.86 0.40 -0.76 1.90 4.15 -1.03 -3.23 115.11 117.40 1dk1 h GLN 108 Ca 0.34 -0.48 0.05 0.00 0.77 0.00 0.00 58.65 59.33 1dk1 h GLN 108 Cb 0.25 0.15 -0.05 0.00 0.21 0.00 0.00 27.48 28.03 1dk1 h GLN 108 CO -0.12 1.15 0.47 0.87 -1.93 0.00 0.00 178.83 179.27 1dk1 h LYS 109 N 0.20 0.86 -0.76 1.69 1.57 -1.00 0.17 116.57 119.30 1dk1 h LYS 109 Ca -0.10 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1dk1 h LYS 109 Cb 1.69 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 33.80 1dk1 h LYS 109 CO 0.18 0.57 0.00 1.33 -0.57 0.00 0.00 179.45 180.95 1dk1 n VAL 110 N -4.66 0.11 0.00 0.50 0.24 0.11 -2.71 118.33 111.93 1dk1 n VAL 110 Ca 0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.39 1dk1 n VAL 110 Cb 0.13 -0.33 0.00 0.00 -1.47 0.00 0.00 33.84 32.17 1dk1 n VAL 110 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1dk1 n GLN 112 N 0.48 0.00 -0.13 7.34 6.02 0.59 -0.98 117.38 130.71 1dk1 n GLN 112 Ca 0.00 0.00 -0.19 0.00 -0.01 0.00 0.00 57.00 56.80 1dk1 n GLN 112 Cb 0.11 -0.01 -0.11 0.00 1.02 0.00 0.00 30.24 31.25 1dk1 n GLN 112 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1dk1 n GLU 113 N 0.01 0.62 0.00 -1.09 2.13 -1.10 -4.54 120.64 116.68 1dk1 n GLU 113 Ca 0.00 0.16 0.11 0.00 0.66 0.00 0.00 57.16 58.10 1dk1 n GLU 113 Cb 0.00 -1.50 0.13 0.00 0.27 0.00 0.00 31.44 30.35 1dk1 n GLU 113 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 1dk1 n PHE 114 N -3.39 0.04 -1.63 4.31 3.01 -0.15 -4.96 117.46 114.69 1dk1 n PHE 114 Ca -0.46 0.01 -0.43 0.00 1.01 0.00 0.00 57.45 57.59 1dk1 n PHE 114 Cb 0.96 -0.22 -0.00 0.00 -0.01 0.00 0.00 39.48 40.21 1dk1 n PHE 114 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1dk1 n ALA 115 N -1.54 0.42 1.21 4.37 0.00 -1.26 -4.48 120.51 119.22 1dk1 n ALA 115 Ca 0.05 0.32 0.13 0.00 0.00 0.00 0.00 53.44 53.94 1dk1 n ALA 115 Cb 0.35 -2.12 0.49 0.00 0.00 0.00 0.00 19.45 18.17 1dk1 n ALA 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1dk1 n ARG 116 N 0.45 0.41 -3.63 0.00 1.74 -1.26 -4.91 116.66 109.46 1dk1 n ARG 116 Ca 0.08 -0.17 -0.03 0.00 -0.77 0.00 0.00 57.85 56.96 1dk1 n ARG 116 Cb 0.36 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.26 1dk1 n ARG 116 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 1dk1 s PHE 117 N -2.70 -0.09 0.00 -1.55 -0.12 -1.26 -5.05 117.98 107.21 1dk1 s PHE 117 Ca 0.21 0.14 -0.00 0.00 -0.05 0.00 0.00 56.93 57.23 1dk1 s PHE 117 Cb 0.19 0.49 -0.00 0.00 -0.63 0.00 0.00 43.02 43.07 1dk1 s PHE 117 CO 0.55 -0.09 0.33 -0.35 -0.05 0.00 0.00 175.22 175.61 1dk1 n PRO 118 N 0.48 0.00 0.00 1.99 -0.04 -1.26 -0.14 135.00 136.03 1dk1 n PRO 118 Ca -0.01 -0.16 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 1dk1 n PRO 118 Cb 0.59 -1.32 0.00 0.00 -0.04 0.00 0.00 33.50 32.73 1dk1 n PRO 118 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1dk1 n GLY 119 N 2.99 0.00 3.71 0.55 0.00 -1.26 -5.12 105.19 106.06 1dk1 n GLY 119 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1dk1 n GLY 119 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1dk1 s ASP 120 N 0.00 6.57 0.00 1.61 3.68 0.80 -4.82 116.67 124.52 1dk1 s ASP 120 Ca 0.00 2.60 0.00 0.00 2.13 0.00 0.00 52.55 57.28 1dk1 s ASP 120 Cb 0.00 -2.59 0.00 0.00 -1.45 0.00 0.00 42.92 38.88 1dk1 s ASP 120 CO 0.00 -0.85 0.00 0.35 0.13 0.00 0.00 175.17 174.80 1dk1 n THR 121 N 4.16 0.00 -2.27 1.71 -2.24 -1.26 -4.74 114.28 109.64 1dk1 n THR 121 Ca 0.15 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.93 1dk1 n THR 121 Cb 0.39 1.70 -0.01 0.00 -2.10 0.00 0.00 70.33 70.31 1dk1 n THR 121 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1dk1 n GLY 122 N 0.00 0.80 1.00 3.38 0.00 -1.26 -4.77 105.19 104.34 1dk1 n GLY 122 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1dk1 n GLY 122 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1dk1 n SER 123 N 0.27 2.91 0.00 1.61 3.41 -1.26 -4.75 113.62 115.81 1dk1 n SER 123 Ca -0.05 -1.94 0.00 0.00 -0.26 0.00 0.00 58.87 56.62 1dk1 n SER 123 Cb 0.94 -0.48 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 1dk1 n SER 123 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1dk1 n THR 124 N 0.52 0.00 0.34 6.66 -1.04 -1.26 -4.34 114.28 115.15 1dk1 n THR 124 Ca 0.00 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.88 1dk1 n THR 124 Cb 0.48 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.93 1dk1 n THR 124 CO 0.00 0.00 0.00 1.05 -0.64 0.00 0.00 175.07 175.48 1dk1 h GLU 125 N 0.00 -0.83 -0.78 -2.82 9.09 -1.91 0.33 114.58 117.65 1dk1 h GLU 125 Ca 0.00 0.06 0.17 0.00 0.05 0.00 0.00 59.36 59.64 1dk1 h GLU 125 Cb 0.00 0.19 -0.11 0.00 -1.65 0.00 0.00 28.75 27.18 1dk1 h GLU 125 CO 0.00 -0.55 0.27 0.28 0.05 0.00 0.00 179.01 179.05 1dk1 h VAL 126 N -0.95 0.54 -0.92 -1.06 2.07 -1.78 0.29 116.25 114.43 1dk1 h VAL 126 Ca -0.09 -0.12 0.05 0.00 0.82 0.00 0.00 66.70 67.36 1dk1 h VAL 126 Cb 0.66 0.16 -0.06 0.00 -1.52 0.00 0.00 31.29 30.53 1dk1 h VAL 126 CO 0.14 0.06 0.59 -0.61 0.02 0.00 0.00 177.57 177.78 1dk1 h GLN 127 N 0.35 1.08 -0.00 1.57 4.15 -1.80 -2.10 115.11 118.37 1dk1 h GLN 127 Ca 0.45 -0.07 -0.00 0.00 0.77 0.00 0.00 58.65 59.80 1dk1 h GLN 127 Cb 0.77 -0.24 0.00 0.00 0.21 0.00 0.00 27.48 28.22 1dk1 h GLN 127 CO -0.49 0.72 -0.01 0.28 -1.93 0.00 0.00 178.83 177.40 1dk1 h VAL 128 N 1.11 1.54 0.00 2.39 2.07 0.22 -2.80 116.25 120.79 1dk1 h VAL 128 Ca 0.38 -1.60 0.00 0.00 0.82 0.00 0.00 66.70 66.30 1dk1 h VAL 128 Cb 0.07 2.62 0.00 0.00 -1.52 0.00 0.00 31.29 32.47 1dk1 h VAL 128 CO -0.14 0.42 0.00 0.00 0.02 0.00 0.00 177.57 177.87 1dk1 n ALA 129 N -2.45 -0.21 0.01 1.67 0.00 0.75 0.33 120.51 120.62 1dk1 n ALA 129 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1dk1 n ALA 129 Cb 0.34 0.24 0.02 0.00 0.00 0.00 0.00 19.45 20.05 1dk1 n ALA 129 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1dk1 n LEU 130 N -2.24 0.02 0.12 0.00 -0.00 -0.81 0.11 117.00 114.20 1dk1 n LEU 130 Ca 0.00 0.48 -0.20 0.00 -0.00 0.00 0.00 56.01 56.29 1dk1 n LEU 130 Cb 0.00 -0.48 -0.15 0.00 -0.00 0.00 0.00 43.42 42.79 1dk1 n LEU 130 CO 0.00 -0.49 -0.15 0.25 -0.00 0.00 0.00 177.39 177.00 1dk1 h LEU 131 N 0.00 0.60 -0.29 1.47 6.46 -0.20 -3.05 115.31 120.29 1dk1 h LEU 131 Ca 0.00 -0.65 0.00 0.00 -0.12 0.00 0.00 57.88 57.11 1dk1 h LEU 131 Cb 0.07 -0.19 0.00 0.00 -0.73 0.00 0.00 40.66 39.80 1dk1 h LEU 131 CO 0.00 1.51 0.00 0.74 -0.62 0.00 0.00 178.44 180.07 1dk1 h THR 132 N 0.10 0.00 -0.02 1.05 2.02 0.55 -2.96 112.91 113.65 1dk1 h THR 132 Ca -0.20 -0.44 -0.25 0.00 0.77 0.00 0.00 66.41 66.30 1dk1 h THR 132 Cb 2.06 1.35 0.02 0.00 -1.74 0.00 0.00 68.15 69.84 1dk1 h THR 132 CO 0.23 0.00 -0.97 0.25 0.37 0.00 0.00 175.52 175.40 1dk1 h LEU 133 N 0.00 0.88 -0.12 2.58 5.85 -0.84 -3.18 115.31 120.48 1dk1 h LEU 133 Ca 0.00 -0.73 0.00 0.00 0.84 0.00 0.00 57.88 57.99 1dk1 h LEU 133 Cb 0.63 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.39 1dk1 h LEU 133 CO 0.00 1.49 -0.42 -2.11 -0.34 0.00 0.00 178.44 177.07 1dk1 n ARG 134 N -3.90 0.22 -0.05 1.25 1.85 -1.19 -2.37 116.66 112.46 1dk1 n ARG 134 Ca -0.11 -0.12 -0.16 0.00 -1.00 0.00 0.00 57.85 56.46 1dk1 n ARG 134 Cb 0.84 -1.50 -0.06 0.00 -1.05 0.00 0.00 32.46 30.70 1dk1 n ARG 134 CO 0.00 0.00 0.00 0.97 -0.01 0.00 0.00 177.63 178.59 1dk1 h ILE 135 N 0.30 1.29 0.22 8.89 -0.00 -1.57 -2.66 117.51 123.99 1dk1 h ILE 135 Ca 0.00 -1.82 -0.01 0.00 -0.00 0.00 0.00 64.86 63.03 1dk1 h ILE 135 Cb 0.50 1.86 0.00 0.00 -0.00 0.00 0.00 36.82 39.18 1dk1 h ILE 135 CO 0.00 0.58 -0.11 0.78 -0.00 0.00 0.00 178.15 179.40 1dk1 h ASN 136 N 0.52 -0.25 0.00 2.19 2.35 -1.61 -0.73 115.58 118.05 1dk1 h ASN 136 Ca -0.02 -0.18 0.00 0.00 -0.55 0.00 0.00 56.30 55.55 1dk1 h ASN 136 Cb 1.24 0.07 0.00 0.00 0.05 0.00 0.00 38.32 39.67 1dk1 h ASN 136 CO 0.13 0.26 0.77 -0.09 -1.65 0.00 0.00 177.43 176.86 1dk1 h ARG 137 N -1.00 0.00 0.00 0.81 9.65 -1.53 1.46 114.38 123.78 1dk1 h ARG 137 Ca -0.03 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.85 1dk1 h ARG 137 Cb 0.42 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.00 1dk1 h ARG 137 CO 0.05 0.00 -1.05 -0.11 2.80 0.00 0.00 179.97 181.66 1dk1 n LEU 138 N -2.11 0.01 -0.06 3.80 7.94 -1.00 -3.85 117.00 121.73 1dk1 n LEU 138 Ca -0.00 -0.05 -0.11 0.00 -1.11 0.00 0.00 56.01 54.73 1dk1 n LEU 138 Cb 0.78 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.68 1dk1 n LEU 138 CO 0.01 0.00 0.76 -1.28 -1.11 0.00 0.00 177.39 175.78 1dk1 h SER 139 N 0.00 0.32 -0.58 1.96 0.87 0.35 -1.58 113.55 114.88 1dk1 h SER 139 Ca 0.00 -0.29 0.06 0.00 -1.23 0.00 0.00 61.79 60.32 1dk1 h SER 139 Cb 0.14 -0.08 -0.05 0.00 -0.44 0.00 0.00 62.40 61.97 1dk1 h SER 139 CO 0.00 0.53 0.29 -0.33 -0.53 0.00 0.00 176.83 176.79 1dk1 h GLU 140 N 0.09 0.54 0.09 2.24 5.08 -1.05 -2.92 114.58 118.64 1dk1 h GLU 140 Ca 0.05 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1dk1 h GLU 140 Cb 0.36 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1dk1 h GLU 140 CO 0.01 0.36 -0.19 1.25 -1.00 0.00 0.00 179.01 179.43 1dk1 h HIS 141 N 0.56 -0.55 -1.48 4.33 2.76 -1.58 -2.30 115.15 116.89 1dk1 h HIS 141 Ca 0.26 0.01 0.46 0.00 -2.20 0.00 0.00 60.37 58.90 1dk1 h HIS 141 Cb 0.18 0.23 -0.09 0.00 1.55 0.00 0.00 27.41 29.28 1dk1 h HIS 141 CO -0.10 -0.23 1.02 1.28 -1.30 0.00 0.00 177.93 178.60 1dk1 n LEU 142 N -3.53 0.08 0.29 0.26 4.77 -0.63 -1.15 117.00 117.09 1dk1 n LEU 142 Ca -0.03 1.00 -0.11 0.00 -0.03 0.00 0.00 56.01 56.84 1dk1 n LEU 142 Cb 0.16 -0.50 -0.05 0.00 -2.33 0.00 0.00 43.42 40.70 1dk1 n LEU 142 CO 0.07 -1.05 0.49 0.11 -1.33 0.00 0.00 177.39 175.68 1dk1 h LYS 143 N 0.00 -0.71 -0.88 3.23 1.79 -1.31 -2.55 116.57 116.13 1dk1 h LYS 143 Ca 0.79 0.05 0.22 0.00 -2.18 0.00 0.00 60.65 59.52 1dk1 h LYS 143 Cb 2.90 0.16 -0.06 0.00 -1.58 0.00 0.00 32.23 33.65 1dk1 h LYS 143 CO -0.18 -0.48 0.60 0.28 -1.08 0.00 0.00 179.45 178.59 1dk1 h VAL 144 N -0.77 0.64 -2.88 0.50 2.07 -1.19 -3.11 116.25 111.52 1dk1 h VAL 144 Ca -0.08 -0.10 -0.62 0.00 0.82 0.00 0.00 66.70 66.73 1dk1 h VAL 144 Cb 0.57 0.34 -0.42 0.00 -1.52 0.00 0.00 31.29 30.26 1dk1 h VAL 144 CO 0.12 0.05 -0.56 1.41 0.02 0.00 0.00 177.57 178.62 1dk1 n HIS 145 N -4.45 3.39 0.73 1.57 8.25 -1.03 -4.90 115.22 118.78 1dk1 n HIS 145 Ca 0.19 -4.27 0.08 0.00 -0.26 0.00 0.00 57.72 53.46 1dk1 n HIS 145 Cb 0.77 -0.63 0.41 0.00 1.12 0.00 0.00 29.99 31.65 1dk1 n HIS 145 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1dk1 n LYS 146 N 1.69 0.15 0.00 -0.41 5.02 -0.97 -2.48 118.16 121.15 1dk1 n LYS 146 Ca 0.22 0.16 0.12 0.00 -2.02 0.00 0.00 58.31 56.79 1dk1 n LYS 146 Cb 0.36 -1.50 0.16 0.00 -0.02 0.00 0.00 35.03 34.04 1dk1 n LYS 146 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1dk1 n LYS 147 N -1.37 0.77 0.19 1.97 5.02 -1.26 -4.54 118.16 118.94 1dk1 n LYS 147 Ca 0.07 -0.56 -0.15 0.00 -2.02 0.00 0.00 58.31 55.64 1dk1 n LYS 147 Cb 0.16 -1.49 -0.08 0.00 -0.02 0.00 0.00 35.03 33.61 1dk1 n LYS 147 CO 0.00 0.00 0.00 0.22 -0.52 0.00 0.00 177.40 177.10 1dk1 h ASP 148 N 1.36 -1.10 0.00 4.39 1.82 -1.82 -3.44 116.42 117.63 1dk1 h ASP 148 Ca 0.00 0.10 0.00 0.00 -0.39 0.00 0.00 57.03 56.74 1dk1 h ASP 148 Cb 0.60 0.39 0.00 0.00 0.68 0.00 0.00 39.33 40.99 1dk1 h ASP 148 CO 0.00 -0.51 0.00 1.57 -1.61 0.00 0.00 179.24 178.69 1dk1 n HIS 149 N -5.48 0.00 -0.35 0.28 -0.00 -1.26 -4.12 115.22 104.30 1dk1 n HIS 149 Ca -0.09 0.00 0.14 0.00 -0.00 0.00 0.00 57.72 57.76 1dk1 n HIS 149 Cb 0.38 0.00 0.27 0.00 -0.00 0.00 0.00 29.99 30.64 1dk1 n HIS 149 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 1dk1 h HIS 150 N 0.00 -0.13 0.00 1.57 6.17 -2.00 1.97 115.15 122.73 1dk1 h HIS 150 Ca 0.00 0.08 -0.01 0.00 0.71 0.00 0.00 60.37 61.15 1dk1 h HIS 150 Cb 0.00 0.22 -0.00 0.00 2.52 0.00 0.00 27.41 30.15 1dk1 h HIS 150 CO 0.00 -0.44 -0.05 0.77 0.71 0.00 0.00 177.93 178.92 1dk1 h SER 151 N 0.00 0.00 0.31 3.26 0.02 -1.98 -2.12 113.55 113.04 1dk1 h SER 151 Ca 0.59 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.48 1dk1 h SER 151 Cb 1.17 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.70 1dk1 h SER 151 CO -0.95 0.05 -0.27 -0.74 -1.14 0.00 0.00 176.83 173.78 1dk1 h HIS 152 N 0.00 0.00 -0.58 3.45 2.76 0.28 -2.86 115.15 118.20 1dk1 h HIS 152 Ca -0.00 0.00 0.12 0.00 -2.20 0.00 0.00 60.37 58.28 1dk1 h HIS 152 Cb 0.31 0.00 -0.11 0.00 1.55 0.00 0.00 27.41 29.15 1dk1 h HIS 152 CO 0.00 0.27 -0.18 0.00 -1.30 0.00 0.00 177.93 176.72 1dk1 h ARG 153 N 0.00 -0.03 -0.08 5.26 3.08 -1.32 0.12 114.38 121.40 1dk1 h ARG 153 Ca -0.00 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.92 1dk1 h ARG 153 Cb 0.49 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.54 1dk1 h ARG 153 CO 0.03 -0.02 -0.53 0.78 -1.07 0.00 0.00 179.97 179.16 1dk1 h GLY 154 N -0.04 0.24 0.51 0.04 0.00 -1.68 -2.63 103.07 99.51 1dk1 h GLY 154 Ca 0.27 -0.27 0.11 0.00 0.00 0.00 0.00 47.33 47.44 1dk1 h GLY 154 CO -0.61 0.24 0.61 -2.00 0.00 0.00 0.00 176.54 174.78 1dk1 h LEU 155 N 0.17 0.91 -6.51 3.11 7.12 -0.67 -3.39 115.31 116.05 1dk1 h LEU 155 Ca 0.00 0.04 -0.65 0.00 0.13 0.00 0.00 57.88 57.41 1dk1 h LEU 155 Cb 0.99 -0.14 0.05 0.00 -0.53 0.00 0.00 40.66 41.03 1dk1 h LEU 155 CO 0.08 0.50 2.28 0.18 -0.13 0.00 0.00 178.44 181.35 1dk1 n LEU 156 N -4.62 4.10 0.00 2.25 4.32 -0.49 -4.69 117.00 117.87 1dk1 n LEU 156 Ca 0.18 -2.92 0.00 0.00 -0.02 0.00 0.00 56.01 53.25 1dk1 n LEU 156 Cb 0.32 -1.14 0.00 0.00 -1.62 0.00 0.00 43.42 40.99 1dk1 n LEU 156 CO 0.28 -0.38 0.00 0.52 -1.22 0.00 0.00 177.39 176.59 1dk1 n VAL 159 N 6.04 0.00 -0.02 4.08 0.31 -1.26 -4.67 118.33 122.81 1dk1 n VAL 159 Ca 0.50 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.71 1dk1 n VAL 159 Cb 0.41 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 33.27 1dk1 n VAL 159 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1dk1 h GLY 160 N 0.00 0.16 0.34 2.92 0.00 -1.93 -2.13 103.07 102.43 1dk1 h GLY 160 Ca 0.00 -0.10 0.08 0.00 0.00 0.00 0.00 47.33 47.32 1dk1 h GLY 160 CO 0.00 0.09 0.08 -1.61 0.00 0.00 0.00 176.54 175.10 1dk1 h GLN 161 N -0.05 0.21 -0.95 4.80 5.75 -1.97 0.28 115.11 123.18 1dk1 h GLN 161 Ca 0.03 -0.01 0.03 0.00 -0.15 0.00 0.00 58.65 58.54 1dk1 h GLN 161 Cb 0.23 -0.05 -0.05 0.00 1.07 0.00 0.00 27.48 28.68 1dk1 h GLN 161 CO -0.00 0.14 0.62 -0.09 -2.65 0.00 0.00 178.83 176.85 1dk1 h ARG 162 N 0.21 1.18 0.00 1.69 1.12 -1.92 -1.36 114.38 115.30 1dk1 h ARG 162 Ca 0.24 -0.07 -0.13 0.00 -1.11 0.00 0.00 59.98 58.91 1dk1 h ARG 162 Cb 0.33 -0.27 -0.02 0.00 -0.01 0.00 0.00 29.97 30.01 1dk1 h ARG 162 CO -0.33 0.78 -0.63 -0.09 -3.11 0.00 0.00 179.97 176.59 1dk1 h ARG 163 N 1.22 0.00 -0.07 0.20 9.65 -0.54 -2.58 114.38 122.25 1dk1 h ARG 163 Ca 0.37 0.00 -0.19 0.00 -1.10 0.00 0.00 59.98 59.06 1dk1 h ARG 163 Cb -0.04 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.54 1dk1 h ARG 163 CO -0.10 0.63 -0.75 0.00 2.80 0.00 0.00 179.97 182.55 1dk1 h ARG 164 N 0.00 0.39 0.09 0.20 3.08 -0.22 -1.31 114.38 116.61 1dk1 h ARG 164 Ca -0.01 -0.33 -0.00 0.00 0.07 0.00 0.00 59.98 59.71 1dk1 h ARG 164 Cb 1.22 0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.34 1dk1 h ARG 164 CO 0.08 0.97 -0.04 -0.07 -1.07 0.00 0.00 179.97 179.84 1dk1 h LEU 165 N 0.26 -0.10 -0.64 3.04 3.38 -1.27 -2.12 115.31 117.85 1dk1 h LEU 165 Ca -0.03 -0.34 0.11 0.00 0.09 0.00 0.00 57.88 57.71 1dk1 h LEU 165 Cb 1.32 0.03 -0.08 0.00 0.09 0.00 0.00 40.66 42.02 1dk1 h LEU 165 CO 0.13 0.30 0.21 -0.07 0.09 0.00 0.00 178.44 179.09 1dk1 h LEU 166 N -0.51 0.16 -1.09 1.67 4.07 -1.46 0.91 115.31 119.06 1dk1 h LEU 166 Ca -0.01 0.10 -0.03 0.00 0.08 0.00 0.00 57.88 58.02 1dk1 h LEU 166 Cb 0.43 0.10 -0.03 0.00 1.08 0.00 0.00 40.66 42.24 1dk1 h LEU 166 CO 0.02 0.08 0.29 -0.09 -1.08 0.00 0.00 178.44 177.67 1dk1 h ARG 167 N 0.36 0.94 0.28 1.13 2.43 -1.20 -0.87 114.38 117.45 1dk1 h ARG 167 Ca 0.33 -0.13 -0.01 0.00 -0.81 0.00 0.00 59.98 59.36 1dk1 h ARG 167 Cb 0.47 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 1dk1 h ARG 167 CO -0.36 0.74 -0.14 -0.92 -1.51 0.00 0.00 179.97 177.78 1dk1 h TYR 168 N 0.93 -0.35 0.00 2.20 3.20 -0.22 -2.47 116.97 120.26 1dk1 h TYR 168 Ca 0.23 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.09 1dk1 h TYR 168 Cb 0.13 0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.51 1dk1 h TYR 168 CO 0.01 -0.16 0.00 -0.11 -1.64 0.00 0.00 178.16 176.26 1dk1 n LEU 169 N -5.22 0.00 0.06 2.82 7.94 0.04 -2.19 117.00 120.45 1dk1 n LEU 169 Ca -0.10 0.41 -0.00 0.00 -1.11 0.00 0.00 56.01 55.21 1dk1 n LEU 169 Cb 0.20 -0.41 -0.06 0.00 0.53 0.00 0.00 43.42 43.67 1dk1 n LEU 169 CO 0.34 -0.26 -0.11 -0.61 -1.11 0.00 0.00 177.39 175.65 1dk1 h GLN 170 N 0.00 0.00 0.00 1.96 4.15 -0.69 -2.74 115.11 117.79 1dk1 h GLN 170 Ca 0.00 0.00 -0.08 0.00 0.77 0.00 0.00 58.65 59.34 1dk1 h GLN 170 Cb 0.16 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.83 1dk1 h GLN 170 CO 0.00 0.39 -0.54 0.00 -1.93 0.00 0.00 178.83 176.75 1dk1 h ARG 171 N 0.00 0.00 0.00 1.69 3.08 -1.30 -3.32 114.38 114.53 1dk1 h ARG 171 Ca -0.12 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.81 1dk1 h ARG 171 Cb 1.57 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.60 1dk1 h ARG 171 CO 0.06 0.63 -0.54 0.93 -1.07 0.00 0.00 179.97 179.97 1dk1 h GLU 172 N -1.00 0.00 -0.94 0.04 4.39 -1.67 -3.40 114.58 111.99 1dk1 h GLU 172 Ca -0.12 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.23 1dk1 h GLU 172 Cb 0.83 0.00 -0.24 0.00 -0.10 0.00 0.00 28.75 29.24 1dk1 h GLU 172 CO -0.07 0.54 -0.73 -3.47 -1.16 0.00 0.00 179.01 174.12 1dk1 n ASP 173 N -3.78 -1.78 -0.30 1.42 2.03 -1.03 -5.02 116.55 108.09 1dk1 n ASP 173 Ca -0.01 -2.99 -0.05 0.00 0.52 0.00 0.00 54.79 52.26 1dk1 n ASP 173 Cb 0.57 0.84 -0.01 0.00 -0.72 0.00 0.00 41.12 41.80 1dk1 n ASP 173 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1dk1 h PRO 174 N 4.24 -0.10 -0.59 -0.67 0.11 -1.67 -1.61 132.00 131.70 1dk1 h PRO 174 Ca -0.02 0.01 0.06 0.00 0.11 0.00 0.00 66.00 66.15 1dk1 h PRO 174 Cb 0.98 0.02 -0.08 0.00 0.11 0.00 0.00 31.00 32.03 1dk1 h PRO 174 CO 0.34 -0.07 -0.43 1.05 -0.21 0.00 0.00 178.00 178.68 1dk1 h GLU 175 N -0.10 -0.10 -0.18 1.05 4.11 -1.92 0.46 114.58 117.90 1dk1 h GLU 175 Ca 0.25 0.01 0.05 0.00 0.07 0.00 0.00 59.36 59.74 1dk1 h GLU 175 Cb 0.56 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 1dk1 h GLU 175 CO -0.83 -0.06 0.21 0.00 0.07 0.00 0.00 179.01 178.40 1dk1 h ARG 176 N -0.10 0.00 -0.25 1.06 3.08 -1.65 -2.47 114.38 114.05 1dk1 h ARG 176 Ca 0.10 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.09 1dk1 h ARG 176 Cb 0.35 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 1dk1 h ARG 176 CO -0.61 0.00 -0.08 -0.92 -1.07 0.00 0.00 179.97 177.29 1dk1 h TYR 177 N 0.00 0.57 0.00 3.04 3.20 0.55 -0.26 116.97 124.07 1dk1 h TYR 177 Ca 0.08 -0.13 0.00 0.00 3.14 0.00 0.00 58.73 61.82 1dk1 h TYR 177 Cb 0.51 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.64 1dk1 h TYR 177 CO 0.00 0.74 0.00 0.54 -1.64 0.00 0.00 178.16 177.80 1dk1 n ARG 178 N -4.52 0.28 0.00 1.82 3.00 -0.93 -0.87 116.66 115.44 1dk1 n ARG 178 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.80 1dk1 n ARG 178 Cb 0.32 -1.28 0.00 0.00 0.00 0.00 0.00 32.46 31.50 1dk1 n ARG 178 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 1dk1 n LEU 180 N 0.67 0.00 0.00 0.55 7.94 -0.11 -2.78 117.00 123.27 1dk1 n LEU 180 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1dk1 n LEU 180 Cb 0.12 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.07 1dk1 n LEU 180 CO 0.00 0.00 0.23 2.30 -1.11 0.00 0.00 177.39 178.81 1dk1 n ILE 181 N 0.00 0.00 -3.58 1.96 -6.64 -0.05 -4.43 119.36 106.62 1dk1 n ILE 181 Ca 0.00 0.00 -0.21 0.00 -1.77 0.00 0.00 62.75 60.77 1dk1 n ILE 181 Cb 0.00 -0.99 0.02 0.00 -1.44 0.00 0.00 39.64 37.23 1dk1 n ILE 181 CO 0.00 0.00 0.00 1.21 -1.77 0.00 0.00 176.55 175.99 1dk1 n GLU 182 N -0.95 0.73 -0.73 6.28 2.13 -1.12 -1.06 120.64 125.92 1dk1 n GLU 182 Ca 0.00 -2.98 0.00 0.00 0.66 0.00 0.00 57.16 54.84 1dk1 n GLU 182 Cb 0.00 0.15 0.00 0.00 0.27 0.00 0.00 31.44 31.86 1dk1 n GLU 182 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1dk1 n LYS 183 N -1.80 -0.88 0.00 5.31 5.02 -1.26 -3.96 118.16 120.59 1dk1 n LYS 183 Ca 0.03 0.22 0.00 0.00 -2.02 0.00 0.00 58.31 56.54 1dk1 n LYS 183 Cb 0.55 -4.69 0.00 0.00 -0.02 0.00 0.00 35.03 30.87 1dk1 n LYS 183 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1dk1 n LEU 184 N 0.00 0.00 -0.60 -0.35 4.77 -1.26 -5.16 117.00 114.40 1dk1 n LEU 184 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1dk1 n LEU 184 Cb 0.22 0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1dk1 n LEU 184 CO 0.00 -0.39 -0.04 0.61 -1.33 0.00 0.00 177.39 176.24 1dk1 n GLY 185 N -0.80 -3.79 0.81 -0.72 0.00 -0.23 -5.13 105.19 95.33 1dk1 n GLY 185 Ca 0.00 -0.75 0.13 0.00 0.00 0.00 0.00 46.02 45.40 1dk1 n GLY 185 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61