#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bs9 s PHE 95 N 0.00 2.21 -0.10 4.41 0.08 0.05 -4.97 117.98 119.65 3bs9 s PHE 95 Ca 0.00 -1.30 -0.04 0.00 0.12 0.00 0.00 56.93 55.71 3bs9 s PHE 95 Cb 0.00 -1.59 -0.04 0.00 -0.57 0.00 0.00 43.02 40.82 3bs9 s PHE 95 CO 0.00 -0.68 0.06 -1.01 -0.10 0.00 0.00 175.22 173.49 3bs9 s HIS 96 N 1.47 3.35 -0.12 0.36 3.76 -1.26 -0.29 115.29 122.56 3bs9 s HIS 96 Ca 0.03 0.33 0.02 0.00 -0.15 0.00 0.00 55.06 55.30 3bs9 s HIS 96 Cb -0.14 -1.86 -0.00 0.00 1.11 0.00 0.00 32.58 31.69 3bs9 s HIS 96 CO -0.10 0.58 -0.20 0.54 -0.85 0.00 0.00 174.74 174.71 3bs9 s VAL 97 N -0.92 2.43 0.05 -0.90 0.11 -0.12 -1.38 120.40 119.67 3bs9 s VAL 97 Ca 0.14 -0.88 -0.24 0.00 -2.93 0.00 0.00 61.98 58.07 3bs9 s VAL 97 Cb -0.12 -1.97 -0.06 0.00 -1.53 0.00 0.00 36.38 32.71 3bs9 s VAL 97 CO 0.03 0.54 0.73 0.12 -3.33 0.00 0.00 175.10 173.20 3bs9 s PHE 98 N 0.40 3.75 -0.23 1.54 5.36 0.17 -1.65 117.98 127.31 3bs9 s PHE 98 Ca -0.15 1.44 0.01 0.00 -0.96 0.00 0.00 56.93 57.27 3bs9 s PHE 98 Cb -0.17 -2.77 0.06 0.00 -0.34 0.00 0.00 43.02 39.80 3bs9 s PHE 98 CO 0.07 0.32 -0.07 0.14 -1.46 0.00 0.00 175.22 174.21 3bs9 s VAL 99 N -0.22 1.68 0.54 3.12 -7.23 -0.36 -2.08 120.40 115.85 3bs9 s VAL 99 Ca 0.37 -1.27 0.08 0.00 -1.81 0.00 0.00 61.98 59.35 3bs9 s VAL 99 Cb -0.20 -1.88 0.06 0.00 0.56 0.00 0.00 36.38 34.91 3bs9 s VAL 99 CO 0.22 -0.04 0.60 -0.83 -0.31 0.00 0.00 175.10 174.74 3bs9 s GLY 100 N 1.34 2.02 -1.40 2.32 0.00 0.38 -1.57 107.32 110.40 3bs9 s GLY 100 Ca -0.06 -1.77 -0.05 0.00 0.00 0.00 0.00 44.72 42.85 3bs9 s GLY 100 CO -0.06 -1.77 0.77 1.22 0.00 0.00 0.00 173.10 173.25 3bs9 n ASP 101 N -1.98 -2.32 -4.75 1.64 8.00 -1.08 -1.58 116.55 114.47 3bs9 n ASP 101 Ca 0.08 -0.83 -0.40 0.00 0.71 0.00 0.00 54.79 54.35 3bs9 n ASP 101 Cb 0.62 -3.88 -0.06 0.00 -0.02 0.00 0.00 41.12 37.79 3bs9 n ASP 101 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3bs9 s LEU 102 N -6.92 4.58 0.38 0.64 1.43 0.15 -4.21 118.68 114.72 3bs9 s LEU 102 Ca 0.23 1.80 -0.26 0.00 -1.03 0.00 0.00 54.13 54.87 3bs9 s LEU 102 Cb -0.12 -3.50 -0.09 0.00 0.03 0.00 0.00 46.19 42.51 3bs9 s LEU 102 CO 0.83 0.10 1.21 -0.55 0.23 0.00 0.00 176.35 178.17 3bs9 s SER 103 N -0.79 6.60 0.41 2.29 0.15 -1.26 -4.60 113.70 116.50 3bs9 s SER 103 Ca 0.41 2.44 0.23 0.00 0.70 0.00 0.00 55.95 59.74 3bs9 s SER 103 Cb -0.24 -2.62 1.26 0.00 -1.71 0.00 0.00 66.02 62.71 3bs9 s SER 103 CO 0.29 -0.63 1.67 -0.65 1.20 0.00 0.00 173.24 175.13 3bs9 h PRO 104 N 2.89 0.21 0.00 5.44 0.11 -1.95 -0.96 132.00 137.74 3bs9 h PRO 104 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3bs9 h PRO 104 Cb 1.23 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3bs9 h PRO 104 CO 0.63 0.14 0.00 -0.85 -0.21 0.00 0.00 178.00 177.71 3bs9 n GLU 105 N -4.76 0.38 -2.55 1.05 0.00 -1.26 -4.56 120.64 108.93 3bs9 n GLU 105 Ca 0.33 0.02 -0.43 0.00 0.00 0.00 0.00 57.16 57.08 3bs9 n GLU 105 Cb 1.18 -1.50 -0.02 0.00 0.00 0.00 0.00 31.44 31.10 3bs9 n GLU 105 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 3bs9 s ILE 106 N -2.60 4.49 0.44 3.84 1.09 -0.37 -5.02 121.20 123.08 3bs9 s ILE 106 Ca 0.26 1.79 0.05 0.00 -1.10 0.00 0.00 60.65 61.65 3bs9 s ILE 106 Cb 0.19 -4.17 0.01 0.00 -1.06 0.00 0.00 42.46 37.43 3bs9 s ILE 106 CO 0.44 -0.17 0.62 0.42 -0.10 0.00 0.00 174.94 176.15 3bs9 s THR 107 N 3.36 3.21 0.21 2.92 -4.23 -1.26 -4.96 115.64 114.90 3bs9 s THR 107 Ca 0.49 -0.85 -0.10 0.00 -1.18 0.00 0.00 61.69 60.06 3bs9 s THR 107 Cb -0.18 -3.13 0.15 0.00 1.34 0.00 0.00 72.50 70.68 3bs9 s THR 107 CO 0.10 -0.07 1.73 0.74 -0.54 0.00 0.00 174.62 176.59 3bs9 h THR 108 N 0.50 0.73 -0.29 3.99 2.02 -1.92 0.20 112.91 118.13 3bs9 h THR 108 Ca -0.42 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 66.62 3bs9 h THR 108 Cb 1.28 0.34 -0.02 0.00 -1.74 0.00 0.00 68.15 68.01 3bs9 h THR 108 CO 0.50 0.07 0.14 0.00 0.37 0.00 0.00 175.52 176.59 3bs9 h ALA 109 N 1.43 1.69 -0.42 6.16 0.00 -1.94 -0.19 119.26 126.00 3bs9 h ALA 109 Ca 0.31 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 55.03 3bs9 h ALA 109 Cb 0.40 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3bs9 h ALA 109 CO -0.33 0.25 -0.21 0.00 0.00 0.00 0.00 179.25 178.97 3bs9 h ALA 110 N 1.75 0.59 0.01 0.00 0.00 -1.35 0.27 119.26 120.52 3bs9 h ALA 110 Ca 0.10 -0.38 -0.19 0.00 0.00 0.00 0.00 54.91 54.45 3bs9 h ALA 110 Cb 0.05 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3bs9 h ALA 110 CO -0.01 0.56 -0.87 -0.84 0.00 0.00 0.00 179.25 178.08 3bs9 h ILE 111 N 0.70 1.57 -0.31 0.00 3.07 -1.03 -0.57 117.51 120.94 3bs9 h ILE 111 Ca 0.09 -2.81 -0.01 0.00 1.55 0.00 0.00 64.86 63.68 3bs9 h ILE 111 Cb 0.77 2.55 -0.01 0.00 -0.27 0.00 0.00 36.82 39.86 3bs9 h ILE 111 CO 0.06 0.81 0.17 0.00 -1.05 0.00 0.00 178.15 178.14 3bs9 h ALA 112 N 1.07 0.40 -0.57 0.16 0.00 -0.87 -1.75 119.26 117.69 3bs9 h ALA 112 Ca -0.03 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 3bs9 h ALA 112 Cb 1.52 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.16 3bs9 h ALA 112 CO 0.12 -0.08 0.21 0.00 0.00 0.00 0.00 179.25 179.51 3bs9 h ALA 113 N 1.04 0.74 -0.17 0.00 0.00 -0.84 -1.42 119.26 118.61 3bs9 h ALA 113 Ca 0.11 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 3bs9 h ALA 113 Cb 0.06 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3bs9 h ALA 113 CO -0.02 0.36 -0.11 0.00 0.00 0.00 0.00 179.25 179.49 3bs9 h ALA 114 N 1.07 1.51 -0.01 0.00 0.00 -0.84 -3.05 119.26 117.94 3bs9 h ALA 114 Ca 0.19 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3bs9 h ALA 114 Cb 0.22 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3bs9 h ALA 114 CO -0.01 0.35 -0.69 1.19 0.00 0.00 0.00 179.25 180.08 3bs9 n PHE 115 N -4.29 0.00 -0.35 0.00 3.72 -0.68 -4.48 117.46 111.38 3bs9 n PHE 115 Ca -0.01 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.52 3bs9 n PHE 115 Cb 0.26 -0.04 0.32 0.00 -0.94 0.00 0.00 39.48 39.08 3bs9 n PHE 115 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3bs9 h ALA 116 N 3.39 1.65 -0.16 4.37 0.00 -1.14 -1.96 119.26 125.41 3bs9 h ALA 116 Ca 0.00 0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.04 3bs9 h ALA 116 Cb 0.60 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3bs9 h ALA 116 CO 0.00 -0.05 0.20 -1.35 0.00 0.00 0.00 179.25 178.06 3bs9 h PRO 117 N 0.76 0.00 0.00 0.00 0.11 -1.78 -2.56 132.00 128.53 3bs9 h PRO 117 Ca 0.57 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.68 3bs9 h PRO 117 Cb 0.88 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.99 3bs9 h PRO 117 CO -0.38 0.00 -0.21 1.19 -0.21 0.00 0.00 178.00 178.39 3bs9 n PHE 118 N -3.67 0.61 0.00 0.65 3.01 -0.74 -5.02 117.46 112.30 3bs9 n PHE 118 Ca 0.01 0.18 0.00 0.00 1.01 0.00 0.00 57.45 58.65 3bs9 n PHE 118 Cb 0.32 -0.74 0.00 0.00 -0.01 0.00 0.00 39.48 39.05 3bs9 n PHE 118 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3bs9 n GLY 119 N 1.36 0.12 3.74 1.37 0.00 -0.97 -4.64 105.19 106.17 3bs9 n GLY 119 Ca 0.05 -1.46 -0.42 0.00 0.00 0.00 0.00 46.02 44.20 3bs9 n GLY 119 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3bs9 s ARG 120 N -1.78 4.22 -0.12 1.61 3.52 -1.26 -4.73 118.95 120.41 3bs9 s ARG 120 Ca 0.00 2.38 -0.00 0.00 -0.13 0.00 0.00 55.73 57.97 3bs9 s ARG 120 Cb 0.00 -3.11 -0.02 0.00 -1.56 0.00 0.00 34.95 30.26 3bs9 s ARG 120 CO 0.00 -0.53 -0.12 0.42 -0.81 0.00 0.00 175.30 174.26 3bs9 s ILE 121 N 0.41 3.15 -0.31 4.11 1.01 -1.26 -2.51 121.20 125.79 3bs9 s ILE 121 Ca 0.64 -0.63 0.22 0.00 0.00 0.00 0.00 60.65 60.87 3bs9 s ILE 121 Cb -0.44 -2.32 0.15 0.00 0.01 0.00 0.00 42.46 39.86 3bs9 s ILE 121 CO 0.40 0.53 1.31 0.77 0.00 0.00 0.00 174.94 177.95 3bs9 h SER 122 N 6.56 0.00 0.00 3.58 4.64 -1.10 -3.48 113.55 123.75 3bs9 h SER 122 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 3bs9 h SER 122 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3bs9 h SER 122 CO 0.56 0.07 0.00 -0.90 -0.87 0.00 0.00 176.83 175.69 3bs9 n ASP 123 N -2.92 0.00 -4.02 4.97 5.75 -1.23 -5.01 116.55 114.10 3bs9 n ASP 123 Ca 0.01 0.00 -0.09 0.00 -0.01 0.00 0.00 54.79 54.70 3bs9 n ASP 123 Cb 0.57 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.58 3bs9 n ASP 123 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3bs9 s ALA 124 N -2.00 0.30 -0.29 2.12 0.00 -1.26 -0.93 121.76 119.70 3bs9 s ALA 124 Ca 0.00 -1.07 -0.15 0.00 0.00 0.00 0.00 51.96 50.75 3bs9 s ALA 124 Cb 0.00 0.75 0.12 0.00 0.00 0.00 0.00 23.12 23.99 3bs9 s ALA 124 CO 0.00 -0.55 0.81 0.50 0.00 0.00 0.00 175.76 176.52 3bs9 s ARG 125 N -3.97 0.53 -0.25 0.00 3.52 -0.38 -4.98 118.95 113.42 3bs9 s ARG 125 Ca 0.17 1.03 -0.10 0.00 -0.13 0.00 0.00 55.73 56.70 3bs9 s ARG 125 Cb 0.05 0.30 -0.05 0.00 -1.56 0.00 0.00 34.95 33.70 3bs9 s ARG 125 CO -0.02 -0.13 0.15 0.08 -0.81 0.00 0.00 175.30 174.57 3bs9 s VAL 126 N 1.91 5.20 0.26 7.11 1.01 -1.26 -0.07 120.40 134.55 3bs9 s VAL 126 Ca -0.08 0.13 -0.29 0.00 0.00 0.00 0.00 61.98 61.73 3bs9 s VAL 126 Cb -0.06 -3.43 -0.09 0.00 0.00 0.00 0.00 36.38 32.79 3bs9 s VAL 126 CO -0.18 0.33 1.16 -0.69 0.00 0.00 0.00 175.10 175.72 3bs9 s VAL 127 N 1.25 3.39 0.24 2.92 1.01 0.51 -4.87 120.40 124.84 3bs9 s VAL 127 Ca 0.07 1.32 0.08 0.00 0.00 0.00 0.00 61.98 63.46 3bs9 s VAL 127 Cb -0.14 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 3bs9 s VAL 127 CO 0.06 0.29 0.06 -0.54 0.00 0.00 0.00 175.10 174.96 3bs9 s LYS 128 N -1.16 2.51 -0.01 2.72 -0.14 -1.26 0.73 119.74 123.14 3bs9 s LYS 128 Ca 0.48 -1.23 -0.27 0.00 -1.36 0.00 0.00 55.97 53.58 3bs9 s LYS 128 Cb -0.33 -2.33 -0.04 0.00 -1.68 0.00 0.00 37.83 33.45 3bs9 s LYS 128 CO 0.42 0.40 0.87 0.34 -0.76 0.00 0.00 175.35 176.61 3bs9 s ASP 129 N -3.53 7.24 0.43 2.83 2.15 0.13 -4.71 116.67 121.21 3bs9 s ASP 129 Ca 0.31 1.50 0.30 0.00 0.43 0.00 0.00 52.55 55.08 3bs9 s ASP 129 Cb -0.08 -2.51 1.23 0.00 -0.30 0.00 0.00 42.92 41.27 3bs9 s ASP 129 CO 0.21 -0.18 1.88 0.00 -0.17 0.00 0.00 175.17 176.91 3bs9 h MET 130 N 6.61 0.00 0.00 4.34 -0.00 -1.95 0.33 114.93 124.27 3bs9 h MET 130 Ca -0.41 0.00 -0.07 0.00 -0.00 0.00 0.00 59.70 59.21 3bs9 h MET 130 Cb 1.21 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.80 3bs9 h MET 130 CO 0.75 0.00 -0.67 0.00 -0.00 0.00 0.00 176.91 176.99 3bs9 h ALA 131 N 2.11 0.08 0.00 -3.00 0.00 -1.97 -3.41 119.26 113.08 3bs9 h ALA 131 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.23 3bs9 h ALA 131 Cb 0.43 0.50 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3bs9 h ALA 131 CO 0.00 0.49 -1.22 0.25 0.00 0.00 0.00 179.25 178.77 3bs9 n THR 132 N -4.58 0.16 -0.72 0.00 -2.24 -1.24 -4.96 114.28 100.70 3bs9 n THR 132 Ca -0.14 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 3bs9 n THR 132 Cb 0.38 0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.82 3bs9 n THR 132 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3bs9 n GLY 133 N 1.34 1.30 3.73 3.38 0.00 0.12 -4.98 105.19 110.09 3bs9 n GLY 133 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 3bs9 n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3bs9 s LYS 134 N -0.09 1.42 0.38 1.61 -2.85 -1.26 -4.45 119.74 114.50 3bs9 s LYS 134 Ca 0.00 0.81 -0.27 0.00 -1.00 0.00 0.00 55.97 55.51 3bs9 s LYS 134 Cb 0.00 -1.83 -0.10 0.00 -2.06 0.00 0.00 37.83 33.85 3bs9 s LYS 134 CO 0.00 -2.12 1.33 0.45 0.10 0.00 0.00 175.35 175.11 3bs9 s SER 135 N -3.49 6.45 0.00 0.03 0.15 -1.26 0.21 113.70 115.79 3bs9 s SER 135 Ca 0.63 2.73 0.30 0.00 0.70 0.00 0.00 55.95 60.30 3bs9 s SER 135 Cb -0.17 -2.65 1.39 0.00 -1.71 0.00 0.00 66.02 62.88 3bs9 s SER 135 CO 0.56 -0.76 1.94 1.17 1.20 0.00 0.00 173.24 177.36 3bs9 n LYS 136 N 0.38 1.06 -0.46 5.44 3.00 0.22 -4.67 118.16 123.14 3bs9 n LYS 136 Ca 0.02 -0.37 0.00 0.00 -0.00 0.00 0.00 58.31 57.96 3bs9 n LYS 136 Cb 0.42 -1.49 0.00 0.00 0.00 0.00 0.00 35.03 33.96 3bs9 n LYS 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3bs9 n GLY 137 N 1.16 0.76 3.42 3.14 0.00 -1.26 -5.01 105.19 107.40 3bs9 n GLY 137 Ca 0.19 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.11 3bs9 n GLY 137 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3bs9 s TYR 138 N -2.33 0.02 0.02 1.61 -0.85 -1.26 -0.68 117.35 113.88 3bs9 s TYR 138 Ca 0.00 -0.37 -0.01 0.00 -0.52 0.00 0.00 57.07 56.17 3bs9 s TYR 138 Cb 0.00 0.22 0.00 0.00 0.38 0.00 0.00 41.96 42.57 3bs9 s TYR 138 CO 0.00 -0.81 0.06 0.41 -1.52 0.00 0.00 175.55 173.69 3bs9 n GLY 139 N -0.27 1.61 3.02 5.49 0.00 -0.61 -0.36 105.19 114.07 3bs9 n GLY 139 Ca -0.11 -0.98 -0.09 0.00 0.00 0.00 0.00 46.02 44.84 3bs9 n GLY 139 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3bs9 s PHE 140 N -7.22 0.37 -0.06 1.61 0.40 0.90 -1.23 117.98 112.75 3bs9 s PHE 140 Ca 0.01 -0.68 -0.00 0.00 -0.60 0.00 0.00 56.93 55.67 3bs9 s PHE 140 Cb -0.00 -0.26 0.02 0.00 0.51 0.00 0.00 43.02 43.29 3bs9 s PHE 140 CO 0.01 -0.23 -0.03 0.08 0.70 0.00 0.00 175.22 175.74 3bs9 s VAL 141 N -2.14 0.55 -0.17 -0.44 1.01 -0.66 -1.24 120.40 117.31 3bs9 s VAL 141 Ca -0.09 -0.06 -0.05 0.00 0.00 0.00 0.00 61.98 61.79 3bs9 s VAL 141 Cb -0.05 -0.62 -0.03 0.00 0.00 0.00 0.00 36.38 35.68 3bs9 s VAL 141 CO -0.03 0.26 -0.01 -0.44 0.00 0.00 0.00 175.10 174.88 3bs9 s SER 142 N 1.42 4.97 0.11 3.32 0.01 -0.10 -0.94 113.70 122.49 3bs9 s SER 142 Ca -0.03 -0.10 0.05 0.00 1.31 0.00 0.00 55.95 57.18 3bs9 s SER 142 Cb -0.13 -1.83 -0.04 0.00 0.21 0.00 0.00 66.02 64.23 3bs9 s SER 142 CO -0.03 0.15 0.02 -0.36 0.41 0.00 0.00 173.24 173.43 3bs9 s PHE 143 N 0.50 2.99 0.23 2.43 0.40 0.60 -0.49 117.98 124.63 3bs9 s PHE 143 Ca -0.02 -0.04 0.07 0.00 -0.60 0.00 0.00 56.93 56.34 3bs9 s PHE 143 Cb -0.14 -1.51 0.20 0.00 0.51 0.00 0.00 43.02 42.08 3bs9 s PHE 143 CO 0.02 0.49 1.52 0.74 0.70 0.00 0.00 175.22 178.69 3bs9 h PHE 144 N 3.19 0.13 -3.61 0.36 -1.00 -1.78 0.17 116.94 114.40 3bs9 h PHE 144 Ca -0.47 -0.06 -0.68 0.00 2.81 0.00 0.00 57.97 59.56 3bs9 h PHE 144 Cb 1.17 -0.02 -0.18 0.00 3.61 0.00 0.00 35.95 40.54 3bs9 h PHE 144 CO 0.61 0.77 -0.69 1.21 -1.61 0.00 0.00 178.31 178.59 3bs9 s ASN 145 N -6.86 4.69 0.18 2.17 2.47 -1.26 -4.61 114.94 111.72 3bs9 s ASN 145 Ca -0.02 -0.06 -0.04 0.00 0.42 0.00 0.00 52.86 53.16 3bs9 s ASN 145 Cb 0.12 -1.15 0.09 0.00 -1.45 0.00 0.00 41.25 38.85 3bs9 s ASN 145 CO 0.79 0.33 1.49 0.50 -3.72 0.00 0.00 177.10 176.49 3bs9 h LYS 146 N 4.91 0.58 -0.43 0.43 3.64 -1.93 -2.95 116.57 120.82 3bs9 h LYS 146 Ca -0.49 -0.37 -0.07 0.00 -1.27 0.00 0.00 60.65 58.45 3bs9 h LYS 146 Cb 1.17 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 33.02 3bs9 h LYS 146 CO 0.53 0.98 -0.01 -1.49 -2.27 0.00 0.00 179.45 177.20 3bs9 h TRP 147 N 0.45 0.83 -0.71 1.91 4.06 -1.98 0.34 115.95 120.84 3bs9 h TRP 147 Ca 0.01 -0.15 0.04 0.00 2.06 0.00 0.00 58.89 60.85 3bs9 h TRP 147 Cb 1.11 -0.22 -0.05 0.00 -1.00 0.00 0.00 29.16 29.00 3bs9 h TRP 147 CO 0.05 0.83 0.43 -0.44 -3.56 0.00 0.00 178.44 175.74 3bs9 h ASP 148 N 0.60 0.68 -0.53 -3.49 3.32 -1.82 0.97 116.42 116.15 3bs9 h ASP 148 Ca 0.12 0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.12 3bs9 h ASP 148 Cb 0.50 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 3bs9 h ASP 148 CO 0.02 0.45 0.08 0.00 -1.72 0.00 0.00 179.24 178.07 3bs9 h ALA 149 N 1.33 0.70 -0.75 3.45 0.00 -1.33 -0.35 119.26 122.32 3bs9 h ALA 149 Ca 0.30 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.99 3bs9 h ALA 149 Cb 0.10 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 3bs9 h ALA 149 CO -0.14 0.45 0.47 1.49 0.00 0.00 0.00 179.25 181.52 3bs9 h GLU 150 N 0.76 0.90 -0.23 0.00 4.81 -0.06 -0.28 114.58 120.48 3bs9 h GLU 150 Ca 0.16 -0.05 -0.14 0.00 -0.13 0.00 0.00 59.36 59.19 3bs9 h GLU 150 Cb 0.42 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 3bs9 h GLU 150 CO 0.01 0.60 -0.45 -0.91 -0.73 0.00 0.00 179.01 177.52 3bs9 h ASN 151 N 0.93 0.62 -0.37 1.04 2.35 -0.50 -2.45 115.58 117.20 3bs9 h ASN 151 Ca 0.30 -0.29 -0.06 0.00 -0.55 0.00 0.00 56.30 55.70 3bs9 h ASN 151 Cb 0.02 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.20 3bs9 h ASN 151 CO -0.11 0.98 -0.01 0.00 -1.65 0.00 0.00 177.43 176.65 3bs9 h ALA 152 N 1.04 0.49 0.01 -0.83 0.00 -0.52 -1.01 119.26 118.45 3bs9 h ALA 152 Ca 0.03 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.70 3bs9 h ALA 152 Cb 0.97 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 3bs9 h ALA 152 CO 0.09 0.27 -0.06 0.82 0.00 0.00 0.00 179.25 180.36 3bs9 h ILE 153 N 0.47 0.84 -0.18 0.00 2.04 -0.99 0.10 117.51 119.77 3bs9 h ILE 153 Ca 0.10 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.93 3bs9 h ILE 153 Cb 0.47 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 3bs9 h ILE 153 CO 0.02 0.00 0.00 -0.61 0.00 0.00 0.00 178.15 177.56 3bs9 h GLN 154 N -0.12 0.32 -0.07 2.37 5.75 -1.41 -2.58 115.11 119.37 3bs9 h GLN 154 Ca 0.02 -0.10 -0.21 0.00 -0.15 0.00 0.00 58.65 58.21 3bs9 h GLN 154 Cb 0.15 -0.03 0.00 0.00 1.07 0.00 0.00 27.48 28.67 3bs9 h GLN 154 CO -0.06 0.53 -0.81 0.37 -2.65 0.00 0.00 178.83 176.21 3bs9 h GLN 155 N 0.08 0.52 0.00 1.69 5.75 -1.16 -3.31 115.11 118.67 3bs9 h GLN 155 Ca 0.05 -0.46 0.00 0.00 -0.15 0.00 0.00 58.65 58.09 3bs9 h GLN 155 Cb 0.38 0.11 0.00 0.00 1.07 0.00 0.00 27.48 29.04 3bs9 h GLN 155 CO 0.01 1.09 -0.39 0.52 -2.65 0.00 0.00 178.83 177.41 3bs9 h MET 156 N 0.34 0.00 -6.39 1.69 2.86 -1.06 -3.44 114.93 108.93 3bs9 h MET 156 Ca -0.05 0.00 -0.55 0.00 -2.06 0.00 0.00 59.70 57.03 3bs9 h MET 156 Cb 1.42 0.00 0.03 0.00 0.06 0.00 0.00 31.60 33.11 3bs9 h MET 156 CO 0.15 0.00 1.15 0.41 1.06 0.00 0.00 176.91 179.67 3bs9 n GLY 157 N 1.26 1.68 1.59 8.32 0.00 -0.97 -1.39 105.19 115.68 3bs9 n GLY 157 Ca 0.04 0.79 0.00 0.00 0.00 0.00 0.00 46.02 46.85 3bs9 n GLY 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bs9 n GLY 158 N 4.37 1.75 3.75 -0.02 0.00 -0.37 -4.97 105.19 109.70 3bs9 n GLY 158 Ca 0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.86 3bs9 n GLY 158 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3bs9 s GLN 159 N -0.49 2.87 -0.07 1.61 -1.52 -0.48 -4.46 119.66 117.12 3bs9 s GLN 159 Ca 0.00 1.78 -0.27 0.00 -1.95 0.00 0.00 55.36 54.93 3bs9 s GLN 159 Cb 0.00 -1.92 -0.03 0.00 -0.22 0.00 0.00 33.01 30.84 3bs9 s GLN 159 CO 0.00 -1.27 0.85 -1.58 -0.25 0.00 0.00 175.29 173.04 3bs9 s TRP 160 N -1.70 3.56 -0.23 0.91 0.52 -1.26 -0.98 118.94 119.76 3bs9 s TRP 160 Ca 0.76 1.43 -0.01 0.00 0.02 0.00 0.00 56.10 58.30 3bs9 s TRP 160 Cb -0.29 -2.99 0.07 0.00 -1.15 0.00 0.00 33.47 29.10 3bs9 s TRP 160 CO 0.35 -0.05 0.03 -1.17 0.02 0.00 0.00 176.95 176.13 3bs9 s LEU 161 N 1.31 1.77 0.00 2.99 2.96 -0.50 -4.95 118.68 122.26 3bs9 s LEU 161 Ca 0.43 -1.11 0.00 0.00 -0.22 0.00 0.00 54.13 53.24 3bs9 s LEU 161 Cb -0.19 -0.80 0.00 0.00 0.50 0.00 0.00 46.19 45.71 3bs9 s LEU 161 CO 0.20 -0.32 0.00 0.61 -1.32 0.00 0.00 176.35 175.52 3bs9 n GLY 162 N 4.91 1.40 1.51 7.98 0.00 -1.26 -3.24 105.19 116.49 3bs9 n GLY 162 Ca -0.08 -0.70 -0.10 0.00 0.00 0.00 0.00 46.02 45.14 3bs9 n GLY 162 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bs9 n GLY 163 N 0.00 3.03 3.57 -0.02 0.00 -1.26 -4.88 105.19 105.63 3bs9 n GLY 163 Ca 0.00 -0.46 -0.15 0.00 0.00 0.00 0.00 46.02 45.41 3bs9 n GLY 163 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3bs9 s ARG 164 N -1.40 0.85 -0.03 1.61 1.81 -1.20 -4.86 118.95 115.73 3bs9 s ARG 164 Ca 0.24 0.41 -0.29 0.00 -1.72 0.00 0.00 55.73 54.37 3bs9 s ARG 164 Cb 0.20 0.41 -0.03 0.00 -0.45 0.00 0.00 34.95 35.08 3bs9 s ARG 164 CO 0.05 -0.22 0.97 -0.65 -0.68 0.00 0.00 175.30 174.76 3bs9 s GLN 165 N -0.71 4.52 0.70 3.54 -0.21 -1.26 -1.41 119.66 124.83 3bs9 s GLN 165 Ca -0.05 1.38 -0.04 0.00 0.02 0.00 0.00 55.36 56.66 3bs9 s GLN 165 Cb -0.02 -3.48 0.09 0.00 1.00 0.00 0.00 33.01 30.60 3bs9 s GLN 165 CO 0.05 -0.10 0.99 0.96 -2.12 0.00 0.00 175.29 175.07 3bs9 s ILE 166 N 1.20 2.30 0.08 1.08 -4.36 -0.15 -4.79 121.20 116.55 3bs9 s ILE 166 Ca 0.50 -0.40 0.08 0.00 -0.26 0.00 0.00 60.65 60.57 3bs9 s ILE 166 Cb -0.20 -2.89 -0.03 0.00 1.25 0.00 0.00 42.46 40.58 3bs9 s ILE 166 CO 0.25 0.00 -0.20 -0.13 0.24 0.00 0.00 174.94 175.10 3bs9 s ARG 167 N -5.18 1.20 0.11 0.37 0.52 -0.61 -1.24 118.95 114.12 3bs9 s ARG 167 Ca 0.62 -1.06 0.04 0.00 -0.52 0.00 0.00 55.73 54.82 3bs9 s ARG 167 Cb -0.09 -1.40 -0.04 0.00 0.52 0.00 0.00 34.95 33.95 3bs9 s ARG 167 CO 0.44 0.34 -0.11 0.95 0.02 0.00 0.00 175.30 176.94 3bs9 s THR 168 N -1.02 1.08 -0.04 0.02 -4.23 -1.26 -0.47 115.64 109.72 3bs9 s THR 168 Ca 0.06 -1.71 -0.31 0.00 -1.18 0.00 0.00 61.69 58.55 3bs9 s THR 168 Cb -0.09 -1.47 0.12 0.00 1.34 0.00 0.00 72.50 72.40 3bs9 s THR 168 CO 0.03 -0.54 1.25 0.21 -0.54 0.00 0.00 174.62 175.04 3bs9 s ASN 169 N -2.53 -0.08 0.88 3.99 2.47 -0.89 -4.96 114.94 113.82 3bs9 s ASN 169 Ca 0.08 -0.12 -0.12 0.00 0.42 0.00 0.00 52.86 53.12 3bs9 s ASN 169 Cb -0.03 0.18 0.12 0.00 -1.45 0.00 0.00 41.25 40.07 3bs9 s ASN 169 CO 0.01 -0.32 1.10 0.26 -3.72 0.00 0.00 177.10 174.43 3bs9 s TRP 170 N -2.47 2.48 0.03 0.43 0.52 -1.26 0.45 118.94 119.11 3bs9 s TRP 170 Ca 0.13 1.16 -0.20 0.00 0.02 0.00 0.00 56.10 57.21 3bs9 s TRP 170 Cb 0.03 -3.18 0.04 0.00 -1.15 0.00 0.00 33.47 29.22 3bs9 s TRP 170 CO -0.04 -2.24 0.46 0.00 0.02 0.00 0.00 176.95 175.15 3bs9 s ALA 171 N -3.04 -1.15 -2.51 0.98 0.00 -0.48 -4.22 121.76 111.35 3bs9 s ALA 171 Ca 0.63 0.49 0.28 0.00 0.00 0.00 0.00 51.96 53.35 3bs9 s ALA 171 Cb -0.17 0.30 1.04 0.00 0.00 0.00 0.00 23.12 24.29 3bs9 s ALA 171 CO 0.56 -0.44 1.74 2.41 0.00 0.00 0.00 175.76 180.02