#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oqj s MET 91 N 0.00 2.04 -0.70 0.00 1.00 -1.26 -5.08 119.30 115.30 1oqj s MET 91 Ca 0.00 -1.13 -0.18 0.00 0.00 0.00 0.00 55.69 54.38 1oqj s MET 91 Cb 0.00 -2.22 0.13 0.00 0.00 0.00 0.00 34.83 32.74 1oqj s MET 91 CO 0.00 0.48 0.81 -2.00 0.00 0.00 0.00 175.02 174.31 1oqj s GLU 92 N -2.39 3.26 0.20 2.03 2.56 -1.26 -5.02 118.70 118.08 1oqj s GLU 92 Ca 0.22 -1.60 -0.32 0.00 0.00 0.00 0.00 54.97 53.26 1oqj s GLU 92 Cb -0.10 -4.43 -0.12 0.00 2.00 0.00 0.00 34.13 31.48 1oqj s GLU 92 CO 0.13 -1.55 1.71 -0.89 -0.56 0.00 0.00 175.26 174.10 1oqj n ILE 93 N 5.26 0.01 -3.98 -3.70 2.08 -1.26 -4.94 119.36 112.84 1oqj n ILE 93 Ca 0.01 -0.00 -0.11 0.00 0.56 0.00 0.00 62.75 63.21 1oqj n ILE 93 Cb 0.45 -1.93 -0.03 0.00 -0.75 0.00 0.00 39.64 37.38 1oqj n ILE 93 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1oqj s ALA 94 N 1.19 -0.02 -0.05 -1.39 0.00 -1.26 -1.60 121.76 118.63 1oqj s ALA 94 Ca 0.76 -1.07 -0.05 0.00 0.00 0.00 0.00 51.96 51.60 1oqj s ALA 94 Cb -0.53 0.99 0.01 0.00 0.00 0.00 0.00 23.12 23.60 1oqj s ALA 94 CO 0.33 -0.87 0.13 0.71 0.00 0.00 0.00 175.76 176.06 1oqj s TYR 95 N -3.20 -0.13 0.04 0.00 1.51 -0.48 -4.90 117.35 110.21 1oqj s TYR 95 Ca 0.23 0.31 -0.30 0.00 -1.01 0.00 0.00 57.07 56.30 1oqj s TYR 95 Cb -0.02 0.04 -0.04 0.00 -0.11 0.00 0.00 41.96 41.83 1oqj s TYR 95 CO 0.14 -0.09 1.06 -1.25 -1.11 0.00 0.00 175.55 174.30 1oqj s PRO 96 N -0.05 4.53 0.28 -1.71 0.04 -1.26 -0.77 135.00 136.06 1oqj s PRO 96 Ca -0.01 1.56 0.04 0.00 0.04 0.00 0.00 61.00 62.63 1oqj s PRO 96 Cb -0.02 -3.40 -0.06 0.00 0.04 0.00 0.00 34.50 31.07 1oqj s PRO 96 CO 0.00 -0.09 0.02 0.96 0.04 0.00 0.00 177.00 177.93 1oqj s ILE 97 N 0.84 1.18 0.14 0.56 -4.36 -0.42 -4.35 121.20 114.78 1oqj s ILE 97 Ca 0.54 -2.03 -0.04 0.00 -0.26 0.00 0.00 60.65 58.86 1oqj s ILE 97 Cb -0.25 -2.57 -0.03 0.00 1.25 0.00 0.00 42.46 40.87 1oqj s ILE 97 CO 0.29 -0.17 0.12 0.42 0.24 0.00 0.00 174.94 175.85 1oqj s THR 98 N -3.32 0.10 -0.26 8.37 -4.23 -0.12 -1.58 115.64 114.60 1oqj s THR 98 Ca 0.33 -1.73 -0.06 0.00 -1.18 0.00 0.00 61.69 59.05 1oqj s THR 98 Cb 0.07 -1.94 0.13 0.00 1.34 0.00 0.00 72.50 72.11 1oqj s THR 98 CO 0.12 -0.45 0.54 0.00 -0.54 0.00 0.00 174.62 174.29 1oqj n GLY 100 N 5.42 3.37 1.18 0.00 0.00 -1.26 -1.07 105.19 112.82 1oqj n GLY 100 Ca -0.07 -0.12 0.08 0.00 0.00 0.00 0.00 46.02 45.91 1oqj n GLY 100 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1oqj n GLU 101 N 13.63 3.47 -3.97 1.61 1.02 -1.26 -4.97 120.64 130.17 1oqj n GLU 101 Ca 0.00 -2.83 -0.35 0.00 -0.02 0.00 0.00 57.16 53.96 1oqj n GLU 101 Cb 0.00 -1.88 -0.06 0.00 -0.02 0.00 0.00 31.44 29.48 1oqj n GLU 101 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1oqj s SER 102 N -1.43 6.17 0.00 1.62 0.01 -0.23 -5.11 113.70 114.73 1oqj s SER 102 Ca 0.44 0.36 0.06 0.00 1.31 0.00 0.00 55.95 58.11 1oqj s SER 102 Cb 0.33 -1.93 -0.03 0.00 0.21 0.00 0.00 66.02 64.60 1oqj s SER 102 CO 0.13 0.35 -0.16 -0.54 0.41 0.00 0.00 173.24 173.43 1oqj s LYS 103 N -1.36 2.27 0.38 12.44 1.02 -1.26 -1.49 119.74 131.73 1oqj s LYS 103 Ca 0.19 -0.86 -0.07 0.00 0.02 0.00 0.00 55.97 55.26 1oqj s LYS 103 Cb -0.12 -2.27 0.03 0.00 -0.52 0.00 0.00 37.83 34.94 1oqj s LYS 103 CO 0.09 0.58 0.62 0.00 -0.92 0.00 0.00 175.35 175.71 1oqj s ALA 104 N -0.84 0.23 -0.10 5.17 0.00 -0.62 -4.82 121.76 120.78 1oqj s ALA 104 Ca 0.13 -1.26 0.02 0.00 0.00 0.00 0.00 51.96 50.85 1oqj s ALA 104 Cb -0.11 0.95 0.01 0.00 0.00 0.00 0.00 23.12 23.98 1oqj s ALA 104 CO 0.03 -0.87 -0.14 0.42 0.00 0.00 0.00 175.76 175.20 1oqj s ILE 105 N -2.58 1.39 -0.27 0.00 1.01 -0.54 -1.30 121.20 118.90 1oqj s ILE 105 Ca 0.25 -0.59 -0.18 0.00 0.00 0.00 0.00 60.65 60.13 1oqj s ILE 105 Cb -0.02 -1.27 -0.02 0.00 0.01 0.00 0.00 42.46 41.15 1oqj s ILE 105 CO 0.18 0.42 0.53 -0.22 0.00 0.00 0.00 174.94 175.85 1oqj s LEU 106 N 0.93 4.09 -0.59 2.97 2.96 0.05 -0.12 118.68 128.97 1oqj s LEU 106 Ca -0.08 0.47 -0.25 0.00 -0.22 0.00 0.00 54.13 54.05 1oqj s LEU 106 Cb -0.15 -2.68 0.04 0.00 0.50 0.00 0.00 46.19 43.90 1oqj s LEU 106 CO -0.00 -0.33 1.01 -0.76 -1.32 0.00 0.00 176.35 174.95 1oqj s LEU 107 N 2.36 3.95 0.19 -0.68 1.43 -0.00 -1.38 118.68 124.56 1oqj s LEU 107 Ca 0.22 -0.37 -0.13 0.00 -1.03 0.00 0.00 54.13 52.81 1oqj s LEU 107 Cb -0.16 -2.80 0.19 0.00 0.03 0.00 0.00 46.19 43.45 1oqj s LEU 107 CO 0.10 -1.35 1.72 -0.25 0.23 0.00 0.00 176.35 176.80 1oqj h TRP 108 N 9.45 0.19 0.00 0.29 7.01 -1.60 -1.92 115.95 129.37 1oqj h TRP 108 Ca -0.26 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 60.76 1oqj h TRP 108 Cb 1.07 -0.01 -0.00 0.00 -2.10 0.00 0.00 29.16 28.12 1oqj h TRP 108 CO 0.96 0.02 -0.02 0.87 -2.79 0.00 0.00 178.44 177.48 1oqj h LYS 109 N 0.26 0.00 0.00 2.65 1.57 -1.92 -1.66 116.57 117.46 1oqj h LYS 109 Ca 0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 1oqj h LYS 109 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.63 1oqj h LYS 109 CO -0.31 0.02 -0.30 1.63 -0.57 0.00 0.00 179.45 179.92 1oqj n LYS 110 N -3.13 0.01 -2.42 3.15 4.01 -0.76 -4.58 118.16 114.44 1oqj n LYS 110 Ca -0.00 0.00 -0.42 0.00 -0.51 0.00 0.00 58.31 57.38 1oqj n LYS 110 Cb 0.27 -1.50 -0.01 0.00 -0.51 0.00 0.00 35.03 33.28 1oqj n LYS 110 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 1oqj n PHE 111 N -1.51 4.35 -4.06 2.13 7.35 -0.62 -4.64 117.46 120.46 1oqj n PHE 111 Ca 0.06 -2.75 -0.36 0.00 -0.76 0.00 0.00 57.45 53.64 1oqj n PHE 111 Cb 0.34 -2.62 -0.07 0.00 0.35 0.00 0.00 39.48 37.48 1oqj n PHE 111 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 1oqj s VAL 112 N 4.59 5.06 0.36 -2.13 1.01 -1.26 -0.67 120.40 127.36 1oqj s VAL 112 Ca 0.54 0.04 -0.27 0.00 0.00 0.00 0.00 61.98 62.29 1oqj s VAL 112 Cb 0.05 -3.18 -0.12 0.00 0.00 0.00 0.00 36.38 33.13 1oqj s VAL 112 CO 0.06 0.60 1.23 0.00 0.00 0.00 0.00 175.10 177.00 1oqj n PRO 114 N 0.42 2.11 0.00 0.00 -0.04 -1.26 -4.56 135.00 131.67 1oqj n PRO 114 Ca 0.06 -1.20 0.00 0.00 -0.04 0.00 0.00 63.50 62.32 1oqj n PRO 114 Cb 0.37 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 1oqj n PRO 114 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1oqj n GLY 115 N 0.68 0.32 0.32 0.55 0.00 0.14 -4.78 105.19 102.42 1oqj n GLY 115 Ca 0.11 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.15 1oqj n GLY 115 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1oqj h ILE 116 N 0.00 0.16 -0.37 -0.61 2.10 -1.96 -1.77 117.51 115.06 1oqj h ILE 116 Ca 0.00 0.00 -0.06 0.00 1.08 0.00 0.00 64.86 65.88 1oqj h ILE 116 Cb 0.00 0.16 -0.04 0.00 -1.09 0.00 0.00 36.82 35.85 1oqj h ILE 116 CO 0.00 0.00 0.03 0.59 -1.08 0.00 0.00 178.15 177.69 1oqj n ASN 117 N -5.52 3.89 -4.72 2.19 3.02 -1.26 -2.25 115.26 110.61 1oqj n ASN 117 Ca 0.11 -3.18 -0.37 0.00 -0.03 0.00 0.00 54.58 51.12 1oqj n ASN 117 Cb 0.41 -0.60 -0.07 0.00 -0.61 0.00 0.00 39.78 38.91 1oqj n ASN 117 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1oqj s VAL 118 N -2.93 5.28 -0.74 2.41 1.01 -0.67 -4.87 120.40 119.90 1oqj s VAL 118 Ca 0.45 0.63 -0.26 0.00 0.00 0.00 0.00 61.98 62.81 1oqj s VAL 118 Cb 0.37 -3.67 0.01 0.00 0.00 0.00 0.00 36.38 33.09 1oqj s VAL 118 CO 0.08 0.37 1.53 -0.54 0.00 0.00 0.00 175.10 176.54 1oqj s LYS 119 N 0.55 3.01 0.00 2.72 1.02 -1.26 -4.02 119.74 121.76 1oqj s LYS 119 Ca 0.18 -0.06 0.00 0.00 0.02 0.00 0.00 55.97 56.11 1oqj s LYS 119 Cb -0.13 -4.43 0.00 0.00 -0.52 0.00 0.00 37.83 32.75 1oqj s LYS 119 CO 0.05 -2.43 0.37 0.00 -0.92 0.00 0.00 175.35 172.43 1oqj s VAL 121 N 0.00 2.70 -0.28 0.00 1.01 -0.20 -0.82 120.40 122.80 1oqj s VAL 121 Ca 0.00 -0.75 -0.18 0.00 0.00 0.00 0.00 61.98 61.05 1oqj s VAL 121 Cb 0.00 -2.15 -0.02 0.00 0.00 0.00 0.00 36.38 34.21 1oqj s VAL 121 CO 0.00 0.51 0.51 -0.75 0.00 0.00 0.00 175.10 175.37 1oqj s LYS 122 N 0.91 3.97 -0.09 2.72 2.20 0.83 -0.14 119.74 130.14 1oqj s LYS 122 Ca -0.03 0.20 -0.03 0.00 -0.36 0.00 0.00 55.97 55.75 1oqj s LYS 122 Cb -0.15 -3.69 0.04 0.00 -1.51 0.00 0.00 37.83 32.52 1oqj s LYS 122 CO -0.01 -0.42 0.05 0.12 -0.36 0.00 0.00 175.35 174.73 1oqj s PHE 123 N 2.32 0.32 -1.40 4.03 5.36 -0.12 -1.47 117.98 127.03 1oqj s PHE 123 Ca 0.20 -0.06 -0.07 0.00 -0.96 0.00 0.00 56.93 56.04 1oqj s PHE 123 Cb -0.16 -0.65 0.04 0.00 -0.34 0.00 0.00 43.02 41.91 1oqj s PHE 123 CO 0.10 -0.33 0.93 0.09 -1.46 0.00 0.00 175.22 174.55 1oqj n ASN 124 N 5.24 -3.65 -1.31 6.13 3.02 -1.26 -1.82 115.26 121.61 1oqj n ASN 124 Ca -0.05 -0.74 -0.16 0.00 -0.03 0.00 0.00 54.58 53.59 1oqj n ASN 124 Cb 0.50 -4.24 -0.07 0.00 -0.61 0.00 0.00 39.78 35.37 1oqj n ASN 124 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1oqj n ASP 125 N -2.96 -4.97 -4.22 6.41 4.64 -1.26 -5.00 116.55 109.19 1oqj n ASP 125 Ca -0.10 0.37 -0.28 0.00 -1.38 0.00 0.00 54.79 53.40 1oqj n ASP 125 Cb 0.59 -3.92 -0.16 0.00 -1.04 0.00 0.00 41.12 36.59 1oqj n ASP 125 CO 0.00 0.00 0.00 -1.58 -0.82 0.00 0.00 177.20 174.80 1oqj s GLN 126 N -3.51 1.84 -0.33 -0.67 0.74 -0.76 -5.10 119.66 111.88 1oqj s GLN 126 Ca 0.00 -0.76 -0.21 0.00 0.05 0.00 0.00 55.36 54.44 1oqj s GLN 126 Cb 0.00 -1.72 -0.00 0.00 1.10 0.00 0.00 33.01 32.39 1oqj s GLN 126 CO 0.00 0.41 0.69 -1.17 -0.55 0.00 0.00 175.29 174.67 1oqj s LEU 127 N -0.37 4.17 0.36 3.68 2.96 -1.26 -0.94 118.68 127.27 1oqj s LEU 127 Ca 0.05 0.36 0.03 0.00 -0.22 0.00 0.00 54.13 54.36 1oqj s LEU 127 Cb -0.09 -2.89 -0.04 0.00 0.50 0.00 0.00 46.19 43.66 1oqj s LEU 127 CO 0.00 -0.59 0.09 0.27 -1.32 0.00 0.00 176.35 174.81 1oqj s ILE 128 N 2.79 0.88 0.50 6.68 -4.36 0.80 -4.88 121.20 123.62 1oqj s ILE 128 Ca 0.27 -2.00 -0.05 0.00 -0.26 0.00 0.00 60.65 58.61 1oqj s ILE 128 Cb -0.14 -2.58 -0.03 0.00 1.25 0.00 0.00 42.46 40.96 1oqj s ILE 128 CO 0.14 0.00 0.81 -0.94 0.24 0.00 0.00 174.94 175.19 1oqj s SER 129 N -3.53 6.14 0.35 4.36 1.04 -1.26 -1.04 113.70 119.77 1oqj s SER 129 Ca 0.31 0.90 0.02 0.00 0.48 0.00 0.00 55.95 57.65 1oqj s SER 129 Cb 0.06 -2.15 0.63 0.00 0.10 0.00 0.00 66.02 64.66 1oqj s SER 129 CO 0.15 -0.67 2.01 -0.65 0.98 0.00 0.00 173.24 175.05 1oqj h PRO 130 N 0.14 0.84 -0.56 4.02 0.11 -1.69 -0.41 132.00 134.46 1oqj h PRO 130 Ca -0.47 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 1oqj h PRO 130 Cb 1.21 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 32.11 1oqj h PRO 130 CO 0.61 0.56 0.32 -0.22 -0.21 0.00 0.00 178.00 179.06 1oqj h LYS 131 N 0.87 0.77 -0.31 1.05 3.64 -1.75 -0.42 116.57 120.41 1oqj h LYS 131 Ca 0.24 -0.08 -0.18 0.00 -1.27 0.00 0.00 60.65 59.36 1oqj h LYS 131 Cb -0.08 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 31.58 1oqj h LYS 131 CO -0.05 0.57 -0.51 0.45 -2.27 0.00 0.00 179.45 177.64 1oqj h HIS 132 N 0.75 1.12 -0.20 1.91 3.86 -1.66 -1.80 115.15 119.13 1oqj h HIS 132 Ca 0.20 -0.38 0.01 0.00 -1.16 0.00 0.00 60.37 59.04 1oqj h HIS 132 Cb 0.01 -0.22 -0.02 0.00 1.06 0.00 0.00 27.41 28.25 1oqj h HIS 132 CO -0.02 1.22 0.10 0.35 0.86 0.00 0.00 177.93 180.44 1oqj h PHE 133 N 0.70 0.18 -0.98 2.45 3.57 -0.88 -0.43 116.94 121.54 1oqj h PHE 133 Ca 0.02 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.55 1oqj h PHE 133 Cb 1.12 -0.05 -0.05 0.00 2.79 0.00 0.00 35.95 39.75 1oqj h PHE 133 CO 0.07 0.11 0.65 0.28 -2.23 0.00 0.00 178.31 177.19 1oqj h VAL 134 N 0.21 1.22 -0.14 1.41 2.07 -1.03 -0.31 116.25 119.68 1oqj h VAL 134 Ca 0.08 -0.44 -0.02 0.00 0.82 0.00 0.00 66.70 67.14 1oqj h VAL 134 Cb 0.02 -0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 29.59 1oqj h VAL 134 CO -0.05 0.24 0.02 -0.74 0.02 0.00 0.00 177.57 177.06 1oqj h HIS 135 N 1.30 0.24 0.00 1.57 -0.00 -0.79 -0.97 115.15 116.49 1oqj h HIS 135 Ca 0.37 -0.03 -0.04 0.00 -0.00 0.00 0.00 60.37 60.67 1oqj h HIS 135 Cb -0.09 -0.07 -0.01 0.00 -0.00 0.00 0.00 27.41 27.25 1oqj h HIS 135 CO -0.00 0.40 -0.19 -0.07 -0.00 0.00 0.00 177.93 178.07 1oqj h LEU 136 N 0.01 0.00 -0.02 0.26 3.38 -0.77 -0.70 115.31 117.47 1oqj h LEU 136 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1oqj h LEU 136 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1oqj h LEU 136 CO 0.00 0.19 -0.02 0.00 0.09 0.00 0.00 178.44 178.70 1oqj n ALA 137 N -2.46 2.48 -0.90 1.53 0.00 -0.16 -4.93 120.51 116.07 1oqj n ALA 137 Ca -0.02 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1oqj n ALA 137 Cb 0.26 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.25 1oqj n ALA 137 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1oqj n GLY 138 N 1.38 0.58 0.56 0.00 0.00 -0.27 -4.67 105.19 102.77 1oqj n GLY 138 Ca 0.11 -0.80 0.07 0.00 0.00 0.00 0.00 46.02 45.40 1oqj n GLY 138 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1oqj n LYS 139 N -2.41 1.90 0.26 1.61 4.76 -0.43 -4.71 118.16 119.14 1oqj n LYS 139 Ca 0.00 -2.85 0.12 0.00 -2.87 0.00 0.00 58.31 52.71 1oqj n LYS 139 Cb 0.07 -1.67 0.72 0.00 -1.84 0.00 0.00 35.03 32.32 1oqj n LYS 139 CO 0.00 0.00 0.00 0.77 -1.37 0.00 0.00 177.40 176.80 1oqj h SER 140 N 0.83 0.00 0.29 4.39 0.02 -1.84 -2.65 113.55 114.60 1oqj h SER 140 Ca 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1oqj h SER 140 Cb 1.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.78 1oqj h SER 140 CO 0.13 0.11 0.00 0.35 -1.14 0.00 0.00 176.83 176.28 1oqj n THR 141 N -3.77 0.99 0.14 -2.27 -2.24 -1.26 -2.05 114.28 103.82 1oqj n THR 141 Ca -0.02 0.25 0.05 0.00 -2.27 0.00 0.00 64.05 62.06 1oqj n THR 141 Cb 0.22 -1.06 0.03 0.00 -2.10 0.00 0.00 70.33 67.42 1oqj n THR 141 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1oqj h LEU 142 N 0.00 0.00 -1.09 3.22 5.85 -1.86 -3.47 115.31 117.96 1oqj h LEU 142 Ca 0.00 0.00 -0.47 0.00 0.84 0.00 0.00 57.88 58.25 1oqj h LEU 142 Cb 0.15 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 1oqj h LEU 142 CO 0.00 0.36 -0.77 0.29 -0.34 0.00 0.00 178.44 177.98 1oqj n LYS 143 N -3.09 -5.44 -2.76 1.25 5.02 -0.87 -4.92 118.16 107.35 1oqj n LYS 143 Ca 0.00 0.60 -0.04 0.00 -2.02 0.00 0.00 58.31 56.85 1oqj n LYS 143 Cb 0.69 -5.44 0.01 0.00 -0.02 0.00 0.00 35.03 30.27 1oqj n LYS 143 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1oqj s ASP 144 N -3.45 -1.33 0.45 4.39 -1.08 -1.26 -5.03 116.67 109.36 1oqj s ASP 144 Ca 0.58 -1.58 0.16 0.00 -0.52 0.00 0.00 52.55 51.19 1oqj s ASP 144 Cb -0.29 1.75 1.09 0.00 -1.46 0.00 0.00 42.92 44.01 1oqj s ASP 144 CO 0.83 -0.05 1.98 4.11 0.52 0.00 0.00 175.17 182.56 1oqj h TRP 145 N 4.96 0.37 0.00 -5.34 5.08 -1.92 -0.46 115.95 118.63 1oqj h TRP 145 Ca 0.05 0.01 -0.02 0.00 1.08 0.00 0.00 58.89 60.01 1oqj h TRP 145 Cb 1.12 -0.12 -0.00 0.00 -3.00 0.00 0.00 29.16 27.15 1oqj h TRP 145 CO 0.08 0.17 -0.11 0.87 -1.28 0.00 0.00 178.44 178.17 1oqj h LYS 146 N 0.34 0.00 0.00 0.12 1.57 -1.96 -1.59 116.57 115.06 1oqj h LYS 146 Ca 0.28 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 59.01 1oqj h LYS 146 Cb 0.64 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 1oqj h LYS 146 CO -0.07 0.11 -1.94 0.54 -0.57 0.00 0.00 179.45 177.52 1oqj n ARG 147 N -3.39 0.66 0.06 3.15 1.74 -0.31 -0.96 116.66 117.61 1oqj n ARG 147 Ca -0.01 -0.13 -0.16 0.00 -0.77 0.00 0.00 57.85 56.78 1oqj n ARG 147 Cb 0.29 -1.56 -0.06 0.00 -1.02 0.00 0.00 32.46 30.11 1oqj n ARG 147 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1oqj h ALA 148 N 1.86 0.29 -2.69 7.54 0.00 -0.87 -3.44 119.26 121.94 1oqj h ALA 148 Ca -0.07 -0.70 -0.55 0.00 0.00 0.00 0.00 54.91 53.59 1oqj h ALA 148 Cb 1.17 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.93 1oqj h ALA 148 CO 0.01 0.77 0.13 0.42 0.00 0.00 0.00 179.25 180.57 1oqj s ILE 149 N -3.29 4.65 0.14 0.00 1.01 -0.63 -4.46 121.20 118.62 1oqj s ILE 149 Ca -0.07 1.57 0.09 0.00 0.00 0.00 0.00 60.65 62.24 1oqj s ILE 149 Cb 0.08 -4.08 -0.04 0.00 0.01 0.00 0.00 42.46 38.43 1oqj s ILE 149 CO 0.89 0.43 -0.22 -0.13 0.00 0.00 0.00 174.94 175.91 1oqj s ARG 150 N -0.47 1.28 -0.19 2.79 0.52 0.24 -0.97 118.95 122.15 1oqj s ARG 150 Ca 0.36 -1.33 -0.01 0.00 -0.52 0.00 0.00 55.73 54.23 1oqj s ARG 150 Cb -0.21 -1.54 0.05 0.00 0.52 0.00 0.00 34.95 33.77 1oqj s ARG 150 CO 0.23 0.34 -0.02 -1.17 0.02 0.00 0.00 175.30 174.70 1oqj s LEU 151 N -2.28 1.67 -1.57 2.53 0.20 0.32 -0.94 118.68 118.61 1oqj s LEU 151 Ca 0.13 -0.81 0.00 0.00 0.69 0.00 0.00 54.13 54.14 1oqj s LEU 151 Cb -0.08 -0.86 0.00 0.00 -0.43 0.00 0.00 46.19 44.82 1oqj s LEU 151 CO 0.06 -0.23 0.00 0.61 -0.29 0.00 0.00 176.35 176.50 1oqj n GLY 152 N 4.89 -0.19 2.31 7.98 0.00 -1.26 -1.80 105.19 117.11 1oqj n GLY 152 Ca -0.11 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1oqj n GLY 152 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1oqj n GLY 153 N -1.00 2.19 3.82 -0.02 0.00 -1.26 -5.02 105.19 103.91 1oqj n GLY 153 Ca -0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.44 1oqj n GLY 153 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1oqj s ILE 154 N -2.83 5.32 0.20 -0.61 1.01 -0.75 -4.98 121.20 118.57 1oqj s ILE 154 Ca 0.00 0.46 -0.32 0.00 0.00 0.00 0.00 60.65 60.78 1oqj s ILE 154 Cb 0.00 -3.54 -0.14 0.00 0.01 0.00 0.00 42.46 38.79 1oqj s ILE 154 CO 0.00 0.54 1.44 0.23 0.00 0.00 0.00 174.94 177.15 1oqj n MET 155 N 2.42 1.95 -0.26 2.79 2.81 -1.26 -0.52 117.12 125.05 1oqj n MET 155 Ca -0.16 0.70 0.12 0.00 -1.81 0.00 0.00 57.70 56.55 1oqj n MET 155 Cb 0.53 -2.38 0.39 0.00 -0.71 0.00 0.00 33.22 31.06 1oqj n MET 155 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 1oqj h LEU 156 N 4.70 0.63 -0.75 4.03 5.85 -0.73 -1.39 115.31 127.65 1oqj h LEU 156 Ca -0.45 0.04 0.17 0.00 0.84 0.00 0.00 57.88 58.48 1oqj h LEU 156 Cb 1.28 -0.08 -0.11 0.00 0.37 0.00 0.00 40.66 42.11 1oqj h LEU 156 CO 0.79 0.31 0.18 -0.09 -0.34 0.00 0.00 178.44 179.30 1oqj h ARG 157 N 0.66 0.25 -0.30 1.25 9.65 -1.32 0.19 114.38 124.78 1oqj h ARG 157 Ca 0.44 -0.02 -0.14 0.00 -1.10 0.00 0.00 59.98 59.16 1oqj h ARG 157 Cb 0.75 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 29.26 1oqj h ARG 157 CO -0.20 0.17 -0.40 0.87 2.80 0.00 0.00 179.97 183.21 1oqj h LYS 158 N 0.26 0.71 -0.08 0.20 1.57 -1.55 -0.23 116.57 117.45 1oqj h LYS 158 Ca 0.43 -0.37 -0.09 0.00 -1.87 0.00 0.00 60.65 58.75 1oqj h LYS 158 Cb 0.74 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.05 1oqj h LYS 158 CO -0.53 0.98 -0.35 0.52 -0.57 0.00 0.00 179.45 179.50 1oqj h MET 159 N 0.58 0.17 -0.08 3.15 2.86 -1.19 -0.83 114.93 119.60 1oqj h MET 159 Ca 0.05 -0.07 -0.07 0.00 -2.06 0.00 0.00 59.70 57.55 1oqj h MET 159 Cb 0.94 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.60 1oqj h MET 159 CO 0.09 0.51 -0.21 0.52 1.06 0.00 0.00 176.91 178.87 1oqj h MET 160 N 0.15 0.28 0.00 1.72 2.86 -0.74 -2.39 114.93 116.80 1oqj h MET 160 Ca 0.02 -0.20 -0.02 0.00 -2.06 0.00 0.00 59.70 57.44 1oqj h MET 160 Cb 0.70 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.39 1oqj h MET 160 CO 0.05 0.81 -0.11 -0.44 1.06 0.00 0.00 176.91 178.28 1oqj h ASP 161 N -0.21 0.00 0.91 1.22 3.32 -0.84 -1.02 116.42 119.80 1oqj h ASP 161 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1oqj h ASP 161 Cb 0.83 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.38 1oqj h ASP 161 CO 0.05 0.11 0.00 0.77 -1.72 0.00 0.00 179.24 178.45 1oqj h SER 162 N 0.00 0.00 0.00 6.45 4.64 -1.12 -3.46 113.55 120.05 1oqj h SER 162 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1oqj h SER 162 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1oqj h SER 162 CO 0.01 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 1oqj n GLY 163 N 0.14 1.94 0.09 -0.77 0.00 -0.39 -4.88 105.19 101.33 1oqj n GLY 163 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 1oqj n GLY 163 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1oqj h GLN 164 N 2.72 0.17 -2.03 1.61 1.08 -1.79 -3.38 115.11 113.50 1oqj h GLN 164 Ca 0.00 -0.28 -0.50 0.00 -1.45 0.00 0.00 58.65 56.42 1oqj h GLN 164 Cb 0.00 0.10 -0.40 0.00 -0.05 0.00 0.00 27.48 27.13 1oqj h GLN 164 CO 0.00 1.11 -1.13 -0.89 -0.95 0.00 0.00 178.83 176.97 1oqj n ILE 165 N -3.49 0.08 -2.99 2.54 5.41 -0.91 -5.05 119.36 114.94 1oqj n ILE 165 Ca -0.05 -4.60 -0.19 0.00 1.00 0.00 0.00 62.75 58.91 1oqj n ILE 165 Cb 0.96 -0.66 0.05 0.00 -0.71 0.00 0.00 39.64 39.28 1oqj n ILE 165 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1oqj s ASP 166 N -2.33 5.20 0.43 4.38 2.15 -1.26 -3.55 116.67 121.69 1oqj s ASP 166 Ca 0.40 -0.69 -0.24 0.00 0.43 0.00 0.00 52.55 52.45 1oqj s ASP 166 Cb 0.31 0.01 -0.10 0.00 -0.30 0.00 0.00 42.92 42.84 1oqj s ASP 166 CO -0.09 -1.22 1.09 0.49 -0.17 0.00 0.00 175.17 175.26 1oqj n PHE 167 N -2.18 1.44 -1.81 -5.34 0.99 -1.26 -4.86 117.46 104.44 1oqj n PHE 167 Ca 0.14 0.53 -0.42 0.00 -0.00 0.00 0.00 57.45 57.70 1oqj n PHE 167 Cb 0.61 -2.27 -0.03 0.00 -1.00 0.00 0.00 39.48 36.79 1oqj n PHE 167 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.76 176.29 1oqj s TYR 168 N -1.27 2.53 -1.62 1.38 5.04 0.16 -2.06 117.35 121.52 1oqj s TYR 168 Ca 0.64 0.25 -0.03 0.00 -2.44 0.00 0.00 57.07 55.48 1oqj s TYR 168 Cb -0.53 -4.08 0.01 0.00 0.35 0.00 0.00 41.96 37.71 1oqj s TYR 168 CO 0.56 -4.26 0.38 1.04 -1.34 0.00 0.00 175.55 171.93 1oqj n GLN 169 N 5.01 -3.67 0.17 4.97 6.02 -1.26 -4.71 117.38 123.90 1oqj n GLN 169 Ca 0.16 0.92 0.15 0.00 -0.01 0.00 0.00 57.00 58.22 1oqj n GLN 169 Cb 0.38 -5.71 0.73 0.00 1.02 0.00 0.00 30.24 26.66 1oqj n GLN 169 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1oqj h HIS 170 N -0.86 0.00 0.00 1.08 2.76 -1.60 0.14 115.15 116.67 1oqj h HIS 170 Ca -0.51 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.66 1oqj h HIS 170 Cb 1.36 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.32 1oqj h HIS 170 CO 0.55 0.00 0.00 0.38 -1.30 0.00 0.00 177.93 177.56 1oqj h ASP 171 N 0.00 0.00 0.00 3.26 -0.00 -1.90 -3.27 116.42 114.51 1oqj h ASP 171 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.13 1oqj h ASP 171 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.78 1oqj h ASP 171 CO -0.00 0.00 -0.81 0.29 -0.00 0.00 0.00 179.24 178.72 1oqj n LYS 172 N -2.33 1.84 -3.97 4.15 5.02 -0.31 -4.97 118.16 117.60 1oqj n LYS 172 Ca 0.01 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.97 1oqj n LYS 172 Cb 0.20 -0.91 -0.14 0.00 -0.02 0.00 0.00 35.03 34.16 1oqj n LYS 172 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1oqj s VAL 173 N -1.69 2.62 -0.07 -0.18 1.01 0.35 -5.08 120.40 117.36 1oqj s VAL 173 Ca 0.00 -1.74 -0.16 0.00 0.00 0.00 0.00 61.98 60.08 1oqj s VAL 173 Cb 0.00 -2.64 0.03 0.00 0.00 0.00 0.00 36.38 33.78 1oqj s VAL 173 CO 0.00 -0.25 0.38 0.00 0.00 0.00 0.00 175.10 175.23 1oqj n SER 175 N 1.87 0.80 -0.68 0.00 3.41 -1.26 -4.96 113.62 112.80 1oqj n SER 175 Ca -0.18 -0.71 -0.09 0.00 -0.26 0.00 0.00 58.87 57.63 1oqj n SER 175 Cb 0.57 0.88 -0.04 0.00 -0.26 0.00 0.00 64.21 65.36 1oqj n SER 175 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1oqj n ASN 176 N -1.59 -4.24 0.00 4.04 3.02 -1.26 -4.82 115.26 110.41 1oqj n ASN 176 Ca 0.04 0.22 0.00 0.00 -0.03 0.00 0.00 54.58 54.81 1oqj n ASN 176 Cb 0.36 -2.51 0.00 0.00 -0.61 0.00 0.00 39.78 37.01 1oqj n ASN 176 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1oqj n THR 177 N -2.69 0.33 0.36 3.41 -2.24 -1.26 -4.73 114.28 107.46 1oqj n THR 177 Ca -0.09 -0.48 0.14 0.00 -2.27 0.00 0.00 64.05 61.35 1oqj n THR 177 Cb 0.32 1.01 0.55 0.00 -2.10 0.00 0.00 70.33 70.11 1oqj n THR 177 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50