#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f81 s GLN 102 N 0.00 3.10 -0.23 0.54 0.74 -1.26 -5.10 119.66 117.45 2f81 s GLN 102 Ca 0.00 -0.78 -0.03 0.00 0.05 0.00 0.00 55.36 54.60 2f81 s GLN 102 Cb 0.00 -2.74 0.00 0.00 1.10 0.00 0.00 33.01 31.38 2f81 s GLN 102 CO 0.00 -0.22 -0.04 0.42 -0.55 0.00 0.00 175.29 174.90 2f81 s ILE 103 N 1.35 3.23 0.85 -2.34 1.01 -1.26 -5.10 121.20 118.93 2f81 s ILE 103 Ca 0.05 -0.69 -0.12 0.00 0.00 0.00 0.00 60.65 59.89 2f81 s ILE 103 Cb -0.14 -2.53 0.13 0.00 0.01 0.00 0.00 42.46 39.93 2f81 s ILE 103 CO -0.09 0.33 1.20 0.42 0.00 0.00 0.00 174.94 176.80 2f81 s THR 104 N 1.43 2.05 -0.15 2.92 -4.23 -1.26 -5.02 115.64 111.38 2f81 s THR 104 Ca 0.04 -0.08 0.15 0.00 -1.18 0.00 0.00 61.69 60.61 2f81 s THR 104 Cb -0.15 -2.97 0.27 0.00 1.34 0.00 0.00 72.50 71.00 2f81 s THR 104 CO -0.04 0.00 1.17 0.18 -0.54 0.00 0.00 174.62 175.39 2f81 n LEU 105 N -3.41 2.54 0.19 4.79 4.77 -1.26 -4.59 117.00 120.02 2f81 n LEU 105 Ca 0.12 -2.84 0.03 0.00 -0.03 0.00 0.00 56.01 53.29 2f81 n LEU 105 Cb 0.60 -0.36 0.37 0.00 -2.33 0.00 0.00 43.42 41.70 2f81 n LEU 105 CO 0.50 0.67 0.73 -0.50 -1.33 0.00 0.00 177.39 177.46 2f81 h TRP 106 N 0.35 0.00 -2.00 -1.77 4.06 -2.06 -3.43 115.95 111.11 2f81 h TRP 106 Ca 0.00 0.00 -0.58 0.00 2.06 0.00 0.00 58.89 60.37 2f81 h TRP 106 Cb 0.96 0.00 -0.11 0.00 -1.00 0.00 0.00 29.16 29.01 2f81 h TRP 106 CO 0.08 0.37 -0.64 0.15 -3.56 0.00 0.00 178.44 174.84 2f81 s LYS 107 N -4.14 2.06 0.25 0.49 1.02 -1.26 -5.11 119.74 113.06 2f81 s LYS 107 Ca -0.03 -1.70 -0.31 0.00 0.02 0.00 0.00 55.97 53.95 2f81 s LYS 107 Cb 0.14 -1.95 -0.12 0.00 -0.52 0.00 0.00 37.83 35.38 2f81 s LYS 107 CO 0.72 0.19 1.57 0.54 -0.92 0.00 0.00 175.35 177.45 2f81 n ARG 108 N -0.90 2.50 -2.43 1.68 1.74 -1.26 -4.87 116.66 113.11 2f81 n ARG 108 Ca -0.05 0.89 -0.43 0.00 -0.77 0.00 0.00 57.85 57.50 2f81 n ARG 108 Cb 0.62 -2.65 0.00 0.00 -1.02 0.00 0.00 32.46 29.40 2f81 n ARG 108 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2f81 n PRO 109 N 2.57 3.18 -3.18 5.56 -0.04 -1.26 -4.94 135.00 136.89 2f81 n PRO 109 Ca 0.11 -3.24 -0.39 0.00 -0.04 0.00 0.00 63.50 59.94 2f81 n PRO 109 Cb 0.34 -3.33 -0.06 0.00 -0.04 0.00 0.00 33.50 30.42 2f81 n PRO 109 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2f81 s LEU 110 N 2.95 4.44 0.16 1.53 1.43 -1.26 -1.10 118.68 126.84 2f81 s LEU 110 Ca 0.49 1.23 0.03 0.00 -1.03 0.00 0.00 54.13 54.85 2f81 s LEU 110 Cb 0.06 -2.97 -0.05 0.00 0.03 0.00 0.00 46.19 43.26 2f81 s LEU 110 CO 0.02 0.12 -0.05 0.68 0.23 0.00 0.00 176.35 177.35 2f81 s VAL 111 N -0.36 0.94 0.03 -1.59 -7.23 -0.03 -4.95 120.40 107.21 2f81 s VAL 111 Ca 0.32 -2.01 -0.25 0.00 -1.81 0.00 0.00 61.98 58.22 2f81 s VAL 111 Cb -0.19 -1.97 -0.05 0.00 0.56 0.00 0.00 36.38 34.73 2f81 s VAL 111 CO 0.18 -0.63 0.78 -0.89 -0.31 0.00 0.00 175.10 174.23 2f81 s THR 112 N -3.48 4.78 0.26 5.32 2.01 -1.26 -0.98 115.64 122.30 2f81 s THR 112 Ca 0.20 1.64 0.11 0.00 0.31 0.00 0.00 61.69 63.95 2f81 s THR 112 Cb 0.04 -4.12 -0.05 0.00 0.01 0.00 0.00 72.50 68.38 2f81 s THR 112 CO 0.02 0.33 -0.14 0.27 -0.69 0.00 0.00 174.62 174.41 2f81 s ILE 113 N 0.16 2.80 -0.10 1.82 -4.36 0.85 -1.04 121.20 121.32 2f81 s ILE 113 Ca 0.40 -2.19 0.00 0.00 -0.26 0.00 0.00 60.65 58.60 2f81 s ILE 113 Cb -0.20 -2.47 0.02 0.00 1.25 0.00 0.00 42.46 41.06 2f81 s ILE 113 CO 0.23 -0.35 -0.08 -0.75 0.24 0.00 0.00 174.94 174.22 2f81 s LYS 114 N -3.45 1.50 -0.06 0.37 2.20 -0.03 -1.24 119.74 119.03 2f81 s LYS 114 Ca 0.29 -0.27 -0.03 0.00 -0.36 0.00 0.00 55.97 55.61 2f81 s LYS 114 Cb -0.06 -1.48 0.03 0.00 -1.51 0.00 0.00 37.83 34.82 2f81 s LYS 114 CO 0.16 -0.19 0.13 -1.50 -0.36 0.00 0.00 175.35 173.59 2f81 s ILE 115 N 1.42 -0.04 -1.73 5.43 2.07 -0.29 -0.99 121.20 127.07 2f81 s ILE 115 Ca -0.01 0.15 -0.01 0.00 -1.41 0.00 0.00 60.65 59.37 2f81 s ILE 115 Cb -0.13 -0.21 0.00 0.00 0.13 0.00 0.00 42.46 42.24 2f81 s ILE 115 CO -0.05 0.06 0.14 0.61 -1.91 0.00 0.00 174.94 173.79 2f81 n GLY 116 N 3.99 -0.51 2.90 1.50 0.00 -1.26 -1.06 105.19 110.76 2f81 n GLY 116 Ca -0.24 0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.81 2f81 n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2f81 n GLY 117 N -1.13 0.72 3.49 -0.02 0.00 -1.26 -4.99 105.19 101.99 2f81 n GLY 117 Ca -0.22 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 2f81 n GLY 117 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2f81 s GLN 118 N -0.22 2.90 0.16 1.61 -0.21 -0.22 -5.10 119.66 118.57 2f81 s GLN 118 Ca 0.00 -0.63 -0.25 0.00 0.02 0.00 0.00 55.36 54.51 2f81 s GLN 118 Cb 0.00 -2.56 -0.08 0.00 1.00 0.00 0.00 33.01 31.37 2f81 s GLN 118 CO 0.00 0.51 0.76 -0.51 -2.12 0.00 0.00 175.29 173.93 2f81 s LEU 119 N -0.41 4.59 0.09 2.90 1.43 -1.26 -1.13 118.68 124.88 2f81 s LEU 119 Ca 0.05 1.62 -0.02 0.00 -1.03 0.00 0.00 54.13 54.74 2f81 s LEU 119 Cb -0.12 -3.28 -0.03 0.00 0.03 0.00 0.00 46.19 42.79 2f81 s LEU 119 CO 0.02 0.21 0.04 -0.54 0.23 0.00 0.00 176.35 176.32 2f81 s LYS 120 N -1.17 0.78 -0.07 1.70 1.02 -0.37 -4.98 119.74 116.65 2f81 s LYS 120 Ca 0.35 -1.26 -0.07 0.00 0.02 0.00 0.00 55.97 55.02 2f81 s LYS 120 Cb -0.23 0.25 -0.04 0.00 -0.52 0.00 0.00 37.83 37.29 2f81 s LYS 120 CO 0.26 -0.20 0.20 -2.00 -0.92 0.00 0.00 175.35 172.68 2f81 s GLU 121 N -3.96 3.51 0.06 1.68 2.12 -1.26 -0.11 118.70 120.75 2f81 s GLU 121 Ca 0.13 -0.09 -0.09 0.00 0.36 0.00 0.00 54.97 55.28 2f81 s GLU 121 Cb 0.07 -3.16 -0.00 0.00 0.26 0.00 0.00 34.13 31.30 2f81 s GLU 121 CO -0.06 0.73 0.18 0.00 -0.54 0.00 0.00 175.26 175.58 2f81 s ALA 122 N -1.12 -0.26 -0.22 6.30 0.00 -0.15 -4.49 121.76 121.82 2f81 s ALA 122 Ca 0.20 -0.48 -0.13 0.00 0.00 0.00 0.00 51.96 51.55 2f81 s ALA 122 Cb -0.13 0.38 -0.05 0.00 0.00 0.00 0.00 23.12 23.33 2f81 s ALA 122 CO 0.09 -0.43 0.25 -1.17 0.00 0.00 0.00 175.76 174.50 2f81 s LEU 123 N -2.49 4.15 -0.29 0.00 2.96 0.12 -0.85 118.68 122.28 2f81 s LEU 123 Ca 0.00 0.30 -0.29 0.00 -0.22 0.00 0.00 54.13 53.92 2f81 s LEU 123 Cb 0.02 -2.27 -0.01 0.00 0.50 0.00 0.00 46.19 44.43 2f81 s LEU 123 CO -0.08 0.03 1.39 -0.76 -1.32 0.00 0.00 176.35 175.62 2f81 s LEU 124 N 1.03 3.86 -0.35 -0.68 1.43 -0.26 -0.62 118.68 123.10 2f81 s LEU 124 Ca 0.12 1.29 0.01 0.00 -1.03 0.00 0.00 54.13 54.53 2f81 s LEU 124 Cb -0.14 -3.54 0.11 0.00 0.03 0.00 0.00 46.19 42.65 2f81 s LEU 124 CO 0.05 -1.15 0.11 -0.62 0.23 0.00 0.00 176.35 174.97 2f81 s ASP 125 N 3.27 4.22 0.35 2.29 -1.08 -0.22 -4.77 116.67 120.72 2f81 s ASP 125 Ca 0.61 -2.02 0.27 0.00 -0.52 0.00 0.00 52.55 50.88 2f81 s ASP 125 Cb -0.19 -1.17 1.11 0.00 -1.46 0.00 0.00 42.92 41.22 2f81 s ASP 125 CO 0.25 -0.37 1.80 0.71 0.52 0.00 0.00 175.17 178.08 2f81 h THR 126 N 6.29 0.00 -0.06 1.71 1.35 -1.93 -1.99 112.91 118.28 2f81 h THR 126 Ca -0.08 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 2f81 h THR 126 Cb 1.00 1.10 0.00 0.00 -1.73 0.00 0.00 68.15 68.52 2f81 h THR 126 CO 0.50 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.38 2f81 n GLY 127 N -0.04 -0.10 3.54 5.82 0.00 -1.26 -4.79 105.19 108.36 2f81 n GLY 127 Ca 0.02 -0.39 -0.37 0.00 0.00 0.00 0.00 46.02 45.28 2f81 n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2f81 s ALA 128 N -1.94 3.36 0.22 4.61 0.00 -0.75 -4.99 121.76 122.27 2f81 s ALA 128 Ca 0.37 -1.04 -0.05 0.00 0.00 0.00 0.00 51.96 51.24 2f81 s ALA 128 Cb 0.20 -2.21 0.20 0.00 0.00 0.00 0.00 23.12 21.30 2f81 s ALA 128 CO 0.31 -0.39 1.67 -0.44 0.00 0.00 0.00 175.76 176.91 2f81 h ASP 129 N 8.00 0.85 -4.90 0.00 3.32 -1.86 0.10 116.42 121.92 2f81 h ASP 129 Ca -0.37 -0.26 -0.21 0.00 0.02 0.00 0.00 57.03 56.21 2f81 h ASP 129 Cb 1.18 -0.23 -0.20 0.00 0.22 0.00 0.00 39.33 40.30 2f81 h ASP 129 CO 0.59 0.98 -0.71 -1.81 -1.72 0.00 0.00 179.24 176.57 2f81 s ASP 130 N -6.68 0.59 0.03 6.45 1.01 -1.26 -2.27 116.67 114.53 2f81 s ASP 130 Ca -0.10 -0.64 -0.30 0.00 0.71 0.00 0.00 52.55 52.21 2f81 s ASP 130 Cb 0.14 0.09 -0.06 0.00 1.01 0.00 0.00 42.92 44.10 2f81 s ASP 130 CO 0.84 -0.33 1.30 -0.89 0.21 0.00 0.00 175.17 176.30 2f81 s THR 131 N -2.01 3.84 -0.05 -1.27 2.01 -1.26 -4.29 115.64 112.60 2f81 s THR 131 Ca -0.08 1.26 0.01 0.00 0.31 0.00 0.00 61.69 63.19 2f81 s THR 131 Cb -0.06 -3.81 0.02 0.00 0.01 0.00 0.00 72.50 68.66 2f81 s THR 131 CO -0.02 0.05 -0.04 0.54 -0.69 0.00 0.00 174.62 174.45 2f81 s VAL 132 N 1.74 0.56 0.17 3.82 0.11 -0.30 -1.12 120.40 125.38 2f81 s VAL 132 Ca 0.61 -0.11 0.10 0.00 -2.93 0.00 0.00 61.98 59.65 2f81 s VAL 132 Cb -0.31 -0.60 -0.04 0.00 -1.53 0.00 0.00 36.38 33.90 2f81 s VAL 132 CO 0.27 0.24 -0.22 0.27 -3.33 0.00 0.00 175.10 172.33 2f81 s ILE 133 N 1.09 2.11 0.85 7.04 -4.36 0.48 -0.56 121.20 127.85 2f81 s ILE 133 Ca -0.08 -1.91 -0.11 0.00 -0.26 0.00 0.00 60.65 58.29 2f81 s ILE 133 Cb -0.14 -1.96 0.11 0.00 1.25 0.00 0.00 42.46 41.72 2f81 s ILE 133 CO -0.01 -0.14 1.13 -1.61 0.24 0.00 0.00 174.94 174.56 2f81 s GLU 134 N -2.53 1.53 -0.09 0.37 2.02 -1.26 -1.78 118.70 116.96 2f81 s GLU 134 Ca 0.17 1.45 -0.40 0.00 0.02 0.00 0.00 54.97 56.20 2f81 s GLU 134 Cb -0.08 -1.79 -0.18 0.00 0.10 0.00 0.00 34.13 32.17 2f81 s GLU 134 CO 0.08 -2.23 1.32 -1.91 0.02 0.00 0.00 175.26 172.53 2f81 n GLU 135 N -3.86 0.48 -3.73 1.61 4.07 -1.25 -4.68 120.64 113.28 2f81 n GLU 135 Ca 0.11 0.17 -0.07 0.00 -0.06 0.00 0.00 57.16 57.32 2f81 n GLU 135 Cb 0.52 -1.74 -0.02 0.00 -0.06 0.00 0.00 31.44 30.15 2f81 n GLU 135 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2f81 s MET 136 N 1.08 1.43 -0.06 5.31 0.23 -1.26 -5.07 119.30 120.96 2f81 s MET 136 Ca 0.92 -0.74 -0.19 0.00 -1.03 0.00 0.00 55.69 54.65 2f81 s MET 136 Cb -1.19 0.52 -0.05 0.00 -1.53 0.00 0.00 34.83 32.58 2f81 s MET 136 CO 0.59 -0.65 0.54 0.45 -2.03 0.00 0.00 175.02 173.93 2f81 s SER 137 N -2.86 6.84 0.11 -1.18 0.15 -1.26 -5.07 113.70 110.43 2f81 s SER 137 Ca 0.09 1.00 0.06 0.00 0.70 0.00 0.00 55.95 57.80 2f81 s SER 137 Cb -0.03 -2.33 -0.04 0.00 -1.71 0.00 0.00 66.02 61.91 2f81 s SER 137 CO 0.01 0.05 -0.14 -0.76 1.20 0.00 0.00 173.24 173.60 2f81 s LEU 138 N 0.22 2.38 0.56 3.45 1.43 -1.26 -4.95 118.68 120.51 2f81 s LEU 138 Ca 0.29 -0.78 -0.15 0.00 -1.03 0.00 0.00 54.13 52.46 2f81 s LEU 138 Cb -0.17 -0.54 -0.06 0.00 0.03 0.00 0.00 46.19 45.46 2f81 s LEU 138 CO 0.14 -0.14 1.01 -2.16 0.23 0.00 0.00 176.35 175.43 2f81 s PRO 139 N -2.52 3.69 0.73 1.29 0.04 -1.26 -4.95 135.00 132.02 2f81 s PRO 139 Ca 0.07 0.98 0.00 0.00 0.04 0.00 0.00 61.00 62.09 2f81 s PRO 139 Cb -0.06 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.39 2f81 s PRO 139 CO 0.03 -0.49 0.00 0.41 0.04 0.00 0.00 177.00 176.99 2f81 n GLY 140 N -1.65 -1.89 3.89 0.56 0.00 -1.26 -4.93 105.19 99.92 2f81 n GLY 140 Ca 0.07 -1.66 -0.29 0.00 0.00 0.00 0.00 46.02 44.14 2f81 n GLY 140 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2f81 s ARG 141 N 0.00 3.70 0.27 1.61 0.52 -1.26 -5.10 118.95 118.69 2f81 s ARG 141 Ca 0.00 0.30 0.09 0.00 -0.52 0.00 0.00 55.73 55.59 2f81 s ARG 141 Cb 0.00 -2.46 -0.05 0.00 0.52 0.00 0.00 34.95 32.96 2f81 s ARG 141 CO 0.00 0.01 -0.12 1.67 0.02 0.00 0.00 175.30 176.88 2f81 s TRP 142 N -2.35 2.04 0.14 -0.53 1.48 -1.26 -4.62 118.94 113.85 2f81 s TRP 142 Ca 0.49 -0.55 0.08 0.00 -1.06 0.00 0.00 56.10 55.06 2f81 s TRP 142 Cb -0.10 -1.05 -0.04 0.00 -1.16 0.00 0.00 33.47 31.12 2f81 s TRP 142 CO 0.33 0.46 -0.18 0.15 -4.06 0.00 0.00 176.95 173.64 2f81 s LYS 143 N -3.63 1.18 0.46 3.25 1.02 -0.52 -4.91 119.74 116.59 2f81 s LYS 143 Ca 0.28 -1.30 -0.20 0.00 0.02 0.00 0.00 55.97 54.77 2f81 s LYS 143 Cb 0.00 -1.28 -0.10 0.00 -0.52 0.00 0.00 37.83 35.93 2f81 s LYS 143 CO 0.12 0.27 0.98 -1.25 -0.92 0.00 0.00 175.35 174.55 2f81 s PRO 144 N -2.47 4.08 -0.15 -1.68 0.04 -1.26 -0.59 135.00 132.97 2f81 s PRO 144 Ca 0.11 1.15 -0.21 0.00 0.04 0.00 0.00 61.00 62.10 2f81 s PRO 144 Cb -0.07 -2.15 0.05 0.00 0.04 0.00 0.00 34.50 32.37 2f81 s PRO 144 CO 0.05 -0.16 0.54 0.21 0.04 0.00 0.00 177.00 177.68 2f81 s LYS 145 N -3.33 0.73 -0.14 4.56 2.20 -1.15 -4.83 119.74 117.77 2f81 s LYS 145 Ca 0.63 0.52 -0.03 0.00 -0.36 0.00 0.00 55.97 56.73 2f81 s LYS 145 Cb -0.11 0.35 -0.03 0.00 -1.51 0.00 0.00 37.83 36.53 2f81 s LYS 145 CO 0.17 -0.14 -0.03 -1.64 -0.36 0.00 0.00 175.35 173.35 2f81 s MET 146 N -0.24 3.53 0.12 4.03 -1.94 -1.26 -0.92 119.30 122.61 2f81 s MET 146 Ca -0.04 -0.49 0.08 0.00 -1.71 0.00 0.00 55.69 53.52 2f81 s MET 146 Cb -0.03 -2.89 -0.04 0.00 2.01 0.00 0.00 34.83 33.88 2f81 s MET 146 CO 0.03 0.34 -0.19 0.96 -0.01 0.00 0.00 175.02 176.15 2f81 s ILE 147 N 0.09 1.65 -0.11 2.53 -4.36 -0.38 -4.97 121.20 115.66 2f81 s ILE 147 Ca 0.00 -1.62 0.03 0.00 -0.26 0.00 0.00 60.65 58.80 2f81 s ILE 147 Cb -0.13 -1.58 0.01 0.00 1.25 0.00 0.00 42.46 42.01 2f81 s ILE 147 CO 0.02 -0.16 -0.19 -0.83 0.24 0.00 0.00 174.94 174.02 2f81 s GLY 148 N -2.11 1.18 0.00 6.27 0.00 -1.26 -0.55 107.32 110.85 2f81 s GLY 148 Ca 0.08 -0.85 0.00 0.00 0.00 0.00 0.00 44.72 43.95 2f81 s GLY 148 CO 0.04 -0.04 0.00 0.61 0.00 0.00 0.00 173.10 173.72 2f81 n GLY 149 N 3.88 5.81 3.73 0.20 0.00 -0.05 -4.97 105.19 113.80 2f81 n GLY 149 Ca -0.20 -1.60 -0.41 0.00 0.00 0.00 0.00 46.02 43.80 2f81 n GLY 149 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2f81 s ILE 150 N 0.92 4.09 0.00 -0.61 1.01 -1.26 -2.39 121.20 122.95 2f81 s ILE 150 Ca 0.00 1.68 0.00 0.00 0.00 0.00 0.00 60.65 62.33 2f81 s ILE 150 Cb 0.00 -4.08 0.00 0.00 0.01 0.00 0.00 42.46 38.39 2f81 s ILE 150 CO 0.00 0.23 0.00 0.61 0.00 0.00 0.00 174.94 175.78 2f81 n GLY 151 N 2.43 3.05 0.00 6.18 0.00 -1.26 -4.98 105.19 110.61 2f81 n GLY 151 Ca 0.04 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.17 2f81 n GLY 151 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2f81 n GLY 152 N 0.00 0.56 3.89 -0.02 0.00 -1.01 -5.08 105.19 103.54 2f81 n GLY 152 Ca 0.00 -2.23 -0.22 0.00 0.00 0.00 0.00 46.02 43.56 2f81 n GLY 152 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2f81 s PHE 153 N -0.42 3.29 0.08 1.61 0.40 -1.26 -0.87 117.98 120.81 2f81 s PHE 153 Ca 0.00 -0.04 0.03 0.00 -0.60 0.00 0.00 56.93 56.31 2f81 s PHE 153 Cb 0.00 -1.51 -0.03 0.00 0.51 0.00 0.00 43.02 41.99 2f81 s PHE 153 CO 0.00 0.49 -0.08 0.96 0.70 0.00 0.00 175.22 177.28 2f81 s ILE 154 N -1.99 0.73 0.11 0.64 -4.36 0.29 -4.98 121.20 111.64 2f81 s ILE 154 Ca 0.33 -1.53 -0.23 0.00 -0.26 0.00 0.00 60.65 58.96 2f81 s ILE 154 Cb -0.09 -1.20 -0.07 0.00 1.25 0.00 0.00 42.46 42.35 2f81 s ILE 154 CO 0.27 -0.59 0.71 -0.54 0.24 0.00 0.00 174.94 175.02 2f81 s LYS 155 N -2.68 4.44 0.23 0.37 1.02 -1.26 -1.25 119.74 120.61 2f81 s LYS 155 Ca 0.02 1.00 0.02 0.00 0.02 0.00 0.00 55.97 57.03 2f81 s LYS 155 Cb -0.03 -3.27 -0.05 0.00 -0.52 0.00 0.00 37.83 33.96 2f81 s LYS 155 CO -0.01 0.54 0.04 0.14 -0.92 0.00 0.00 175.35 175.14 2f81 s VAL 156 N -0.94 0.72 -0.23 3.17 -7.23 -0.10 -4.61 120.40 111.18 2f81 s VAL 156 Ca 0.34 -2.00 -0.10 0.00 -1.81 0.00 0.00 61.98 58.41 2f81 s VAL 156 Cb -0.21 -2.40 -0.05 0.00 0.56 0.00 0.00 36.38 34.27 2f81 s VAL 156 CO 0.23 -0.23 0.14 -0.13 -0.31 0.00 0.00 175.10 174.81 2f81 s ARG 157 N -3.95 4.05 -0.28 4.82 0.52 0.07 -2.95 118.95 121.23 2f81 s ARG 157 Ca 0.31 -0.28 -0.12 0.00 -0.52 0.00 0.00 55.73 55.12 2f81 s ARG 157 Cb 0.07 -3.49 -0.05 0.00 0.52 0.00 0.00 34.95 32.00 2f81 s ARG 157 CO 0.09 0.09 0.25 -1.14 0.02 0.00 0.00 175.30 174.61 2f81 s GLN 158 N 0.97 3.96 -0.14 3.54 0.74 0.24 -0.69 119.66 128.28 2f81 s GLN 158 Ca 0.07 -0.22 -0.03 0.00 0.05 0.00 0.00 55.36 55.23 2f81 s GLN 158 Cb -0.13 -3.66 -0.03 0.00 1.10 0.00 0.00 33.01 30.29 2f81 s GLN 158 CO 0.04 -0.22 -0.04 0.71 -0.55 0.00 0.00 175.29 175.23 2f81 s TYR 159 N 1.85 3.02 0.14 1.67 1.51 -0.42 -1.44 117.35 123.69 2f81 s TYR 159 Ca 0.09 -0.24 0.04 0.00 -1.01 0.00 0.00 57.07 55.96 2f81 s TYR 159 Cb -0.16 -1.92 -0.04 0.00 -0.11 0.00 0.00 41.96 39.73 2f81 s TYR 159 CO 0.11 0.03 0.14 -0.51 -1.11 0.00 0.00 175.55 174.21 2f81 s ASP 160 N 0.17 5.63 -1.29 2.29 1.01 -1.26 -1.00 116.67 122.22 2f81 s ASP 160 Ca -0.02 -0.06 -0.06 0.00 0.71 0.00 0.00 52.55 53.12 2f81 s ASP 160 Cb -0.14 -1.52 0.01 0.00 1.01 0.00 0.00 42.92 42.28 2f81 s ASP 160 CO 0.03 0.09 1.11 1.67 0.21 0.00 0.00 175.17 178.28 2f81 n GLN 161 N -0.18 -7.47 -3.23 8.23 7.27 -1.08 -4.90 117.38 116.01 2f81 n GLN 161 Ca -0.08 0.82 -0.39 0.00 0.07 0.00 0.00 57.00 57.42 2f81 n GLN 161 Cb 0.54 -5.82 -0.06 0.00 2.41 0.00 0.00 30.24 27.31 2f81 n GLN 161 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 2f81 s ILE 162 N -3.33 4.94 -0.11 1.69 -1.09 -0.01 -4.67 121.20 118.63 2f81 s ILE 162 Ca 0.41 1.20 -0.28 0.00 -2.23 0.00 0.00 60.65 59.75 2f81 s ILE 162 Cb -0.18 -3.91 -0.02 0.00 -1.58 0.00 0.00 42.46 36.77 2f81 s ILE 162 CO 0.72 0.42 0.95 -0.63 -1.23 0.00 0.00 174.94 175.17 2f81 s ILE 163 N -0.16 4.82 -0.10 2.92 1.01 -1.26 -1.41 121.20 127.02 2f81 s ILE 163 Ca 0.30 1.93 -0.05 0.00 0.00 0.00 0.00 60.65 62.83 2f81 s ILE 163 Cb -0.18 -4.26 0.04 0.00 0.01 0.00 0.00 42.46 38.07 2f81 s ILE 163 CO 0.16 0.03 0.23 -0.51 0.00 0.00 0.00 174.94 174.86 2f81 s ILE 164 N 1.90 -0.04 -0.04 2.92 2.07 -0.38 -4.51 121.20 123.12 2f81 s ILE 164 Ca 0.46 0.15 -0.18 0.00 -1.41 0.00 0.00 60.65 59.67 2f81 s ILE 164 Cb -0.18 -0.36 -0.05 0.00 0.13 0.00 0.00 42.46 42.00 2f81 s ILE 164 CO 0.17 0.06 0.50 -0.70 -1.91 0.00 0.00 174.94 173.06 2f81 s GLU 165 N 1.20 4.21 -0.21 3.50 2.56 -0.16 -1.14 118.70 128.66 2f81 s GLU 165 Ca -0.09 0.54 -0.00 0.00 0.00 0.00 0.00 54.97 55.42 2f81 s GLU 165 Cb -0.10 -3.33 0.06 0.00 2.00 0.00 0.00 34.13 32.75 2f81 s GLU 165 CO -0.08 0.41 -0.03 0.42 -0.56 0.00 0.00 175.26 175.41 2f81 s ILE 166 N -0.23 1.22 -1.57 -3.70 1.01 0.83 -0.85 121.20 117.92 2f81 s ILE 166 Ca 0.27 -0.95 -0.15 0.00 0.00 0.00 0.00 60.65 59.82 2f81 s ILE 166 Cb -0.17 -1.52 0.10 0.00 0.01 0.00 0.00 42.46 40.89 2f81 s ILE 166 CO 0.14 -0.07 0.94 0.00 0.00 0.00 0.00 174.94 175.94 2f81 n ALA 167 N 4.80 -1.28 -1.00 9.38 0.00 -0.21 -0.81 120.51 131.38 2f81 n ALA 167 Ca -0.11 0.15 -0.00 0.00 0.00 0.00 0.00 53.44 53.47 2f81 n ALA 167 Cb 0.46 -4.25 -0.00 0.00 0.00 0.00 0.00 19.45 15.66 2f81 n ALA 167 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2f81 n GLY 168 N -1.63 0.44 3.51 0.00 0.00 -1.26 -5.04 105.19 101.21 2f81 n GLY 168 Ca 0.05 -0.01 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 2f81 n GLY 168 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2f81 s HIS 169 N -1.88 2.95 0.08 1.61 4.02 0.01 -5.10 115.29 116.98 2f81 s HIS 169 Ca 0.00 -0.23 -0.30 0.00 1.02 0.00 0.00 55.06 55.55 2f81 s HIS 169 Cb 0.00 -1.84 -0.05 0.00 -1.02 0.00 0.00 32.58 29.67 2f81 s HIS 169 CO 0.00 0.08 1.02 0.15 1.02 0.00 0.00 174.74 177.01 2f81 s LYS 170 N -0.10 4.60 0.11 1.40 1.02 -1.26 -0.12 119.74 125.40 2f81 s LYS 170 Ca 0.01 1.52 0.06 0.00 0.02 0.00 0.00 55.97 57.58 2f81 s LYS 170 Cb -0.13 -3.39 -0.04 0.00 -0.52 0.00 0.00 37.83 33.75 2f81 s LYS 170 CO 0.03 0.04 -0.15 0.00 -0.92 0.00 0.00 175.35 174.35 2f81 s ALA 171 N 0.45 1.48 -0.13 5.17 0.00 -0.29 -4.79 121.76 123.65 2f81 s ALA 171 Ca 0.51 -1.24 -0.04 0.00 0.00 0.00 0.00 51.96 51.19 2f81 s ALA 171 Cb -0.24 -0.10 0.05 0.00 0.00 0.00 0.00 23.12 22.83 2f81 s ALA 171 CO 0.30 0.14 0.10 0.42 0.00 0.00 0.00 175.76 176.72 2f81 s ILE 172 N -1.88 -0.13 0.00 0.00 1.01 -1.26 -1.24 121.20 117.69 2f81 s ILE 172 Ca 0.07 0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.77 2f81 s ILE 172 Cb -0.06 -0.44 0.00 0.00 0.01 0.00 0.00 42.46 41.97 2f81 s ILE 172 CO 0.03 -0.11 0.00 0.61 0.00 0.00 0.00 174.94 175.48 2f81 n GLY 173 N 5.29 1.08 3.72 6.18 0.00 -0.50 -4.78 105.19 116.18 2f81 n GLY 173 Ca -0.05 -0.65 -0.41 0.00 0.00 0.00 0.00 46.02 44.90 2f81 n GLY 173 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2f81 s THR 174 N -2.19 4.81 -0.10 2.61 2.01 -1.26 -0.83 115.64 120.69 2f81 s THR 174 Ca 0.00 1.96 0.02 0.00 0.31 0.00 0.00 61.69 63.98 2f81 s THR 174 Cb 0.00 -4.27 0.01 0.00 0.01 0.00 0.00 72.50 68.25 2f81 s THR 174 CO 0.00 0.22 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.30 2f81 s VAL 175 N 0.71 1.47 -0.03 3.82 1.01 -0.17 -4.51 120.40 122.69 2f81 s VAL 175 Ca 0.48 -0.64 -0.13 0.00 0.00 0.00 0.00 61.98 61.69 2f81 s VAL 175 Cb -0.21 -1.34 -0.05 0.00 0.00 0.00 0.00 36.38 34.78 2f81 s VAL 175 CO 0.27 0.43 0.35 -0.76 0.00 0.00 0.00 175.10 175.39 2f81 s LEU 176 N 0.90 4.45 -0.11 3.92 1.43 -0.27 -1.30 118.68 127.70 2f81 s LEU 176 Ca -0.09 0.85 0.02 0.00 -1.03 0.00 0.00 54.13 53.89 2f81 s LEU 176 Cb -0.15 -2.48 0.01 0.00 0.03 0.00 0.00 46.19 43.60 2f81 s LEU 176 CO -0.00 0.33 -0.18 -0.69 0.23 0.00 0.00 176.35 176.04 2f81 s VAL 177 N -1.01 1.71 -0.03 -1.59 1.01 0.14 -0.39 120.40 120.23 2f81 s VAL 177 Ca 0.22 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.42 2f81 s VAL 177 Cb -0.16 -1.52 0.00 0.00 0.00 0.00 0.00 36.38 34.70 2f81 s VAL 177 CO 0.11 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.30 2f81 n GLY 178 N 3.99 -1.23 2.33 4.51 0.00 -0.73 -0.75 105.19 113.30 2f81 n GLY 178 Ca -0.20 -0.82 -0.39 0.00 0.00 0.00 0.00 46.02 44.62 2f81 n GLY 178 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2f81 n PRO 179 N -0.00 3.79 -2.83 1.61 -0.04 -1.26 -3.83 135.00 132.44 2f81 n PRO 179 Ca 0.00 -2.32 -0.37 0.00 -0.04 0.00 0.00 63.50 60.77 2f81 n PRO 179 Cb 0.00 -2.79 -0.06 0.00 -0.04 0.00 0.00 33.50 30.61 2f81 n PRO 179 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2f81 s THR 180 N 1.87 4.25 -0.04 0.52 -1.32 -1.26 -4.95 115.64 114.70 2f81 s THR 180 Ca 0.68 1.78 0.31 0.00 -1.21 0.00 0.00 61.69 63.26 2f81 s THR 180 Cb 0.18 -4.03 0.36 0.00 -1.51 0.00 0.00 72.50 67.49 2f81 s THR 180 CO -0.06 0.21 1.92 -0.65 -2.21 0.00 0.00 174.62 173.82 2f81 h PRO 181 N 3.36 0.00 -3.30 7.08 0.11 -1.98 -3.44 132.00 133.84 2f81 h PRO 181 Ca -0.47 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.53 2f81 h PRO 181 Cb 1.19 0.00 -0.19 0.00 0.11 0.00 0.00 31.00 32.12 2f81 h PRO 181 CO 0.65 0.00 -0.33 0.14 -0.21 0.00 0.00 178.00 178.26 2f81 s VAL 182 N -3.58 0.08 0.10 3.15 -7.23 -1.26 -5.09 120.40 106.57 2f81 s VAL 182 Ca 0.02 -0.66 -0.31 0.00 -1.81 0.00 0.00 61.98 59.22 2f81 s VAL 182 Cb 0.09 -0.74 -0.07 0.00 0.56 0.00 0.00 36.38 36.21 2f81 s VAL 182 CO 0.50 -0.37 1.33 0.20 -0.31 0.00 0.00 175.10 176.46 2f81 s ASN 183 N -1.71 6.90 -0.08 4.85 0.01 -1.26 -4.71 114.94 118.94 2f81 s ASN 183 Ca -0.09 2.24 0.03 0.00 -0.71 0.00 0.00 52.86 54.33 2f81 s ASN 183 Cb -0.03 -2.58 0.01 0.00 0.41 0.00 0.00 41.25 39.05 2f81 s ASN 183 CO -0.00 -0.60 -0.17 -0.63 -1.51 0.00 0.00 177.10 174.19 2f81 s ILE 184 N 1.07 1.52 -0.34 0.60 1.01 0.28 -0.70 121.20 124.64 2f81 s ILE 184 Ca 0.63 -0.71 -0.15 0.00 0.00 0.00 0.00 60.65 60.42 2f81 s ILE 184 Cb -0.35 -1.34 -0.01 0.00 0.01 0.00 0.00 42.46 40.77 2f81 s ILE 184 CO 0.30 0.44 0.34 -0.63 0.00 0.00 0.00 174.94 175.39 2f81 s ILE 185 N 0.47 5.19 0.57 2.92 -1.09 0.21 -1.15 121.20 128.32 2f81 s ILE 185 Ca -0.15 0.02 0.02 0.00 -2.23 0.00 0.00 60.65 58.32 2f81 s ILE 185 Cb -0.16 -3.79 0.11 0.00 -1.58 0.00 0.00 42.46 37.03 2f81 s ILE 185 CO 0.06 -0.06 0.78 0.61 -1.23 0.00 0.00 174.94 175.09 2f81 n GLY 186 N 4.97 1.06 0.26 6.18 0.00 -1.26 -1.06 105.19 115.34 2f81 n GLY 186 Ca -0.10 -2.08 0.06 0.00 0.00 0.00 0.00 46.02 43.91 2f81 n GLY 186 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2f81 h ARG 187 N 0.00 0.10 -0.89 1.61 3.08 -0.70 -1.21 114.38 116.36 2f81 h ARG 187 Ca -0.26 -0.01 0.11 0.00 0.07 0.00 0.00 59.98 59.89 2f81 h ARG 187 Cb 1.02 -0.02 -0.07 0.00 0.08 0.00 0.00 29.97 30.98 2f81 h ARG 187 CO 0.30 0.11 0.58 -2.95 -1.07 0.00 0.00 179.97 176.94 2f81 h ASN 188 N 0.10 0.77 0.10 7.04 -0.00 -1.71 -1.26 115.58 120.62 2f81 h ASN 188 Ca 0.02 0.03 -0.22 0.00 -0.00 0.00 0.00 56.30 56.13 2f81 h ASN 188 Cb 0.08 -0.13 -0.04 0.00 -0.00 0.00 0.00 38.32 38.23 2f81 h ASN 188 CO 0.00 0.44 -2.12 0.18 -0.00 0.00 0.00 177.43 175.93 2f81 n LEU 189 N -4.54 0.12 0.09 6.14 4.77 -0.92 -4.18 117.00 118.48 2f81 n LEU 189 Ca 0.16 0.05 0.03 0.00 -0.03 0.00 0.00 56.01 56.22 2f81 n LEU 189 Cb 0.34 0.27 0.41 0.00 -2.33 0.00 0.00 43.42 42.12 2f81 n LEU 189 CO 0.30 0.28 0.97 0.24 -1.33 0.00 0.00 177.39 177.86 2f81 h MET 190 N 0.00 0.31 -0.23 3.23 2.86 -0.94 -1.24 114.93 118.93 2f81 h MET 190 Ca -0.31 -0.05 -0.07 0.00 -2.06 0.00 0.00 59.70 57.20 2f81 h MET 190 Cb 1.74 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 33.33 2f81 h MET 190 CO 0.02 0.36 -0.18 1.79 1.06 0.00 0.00 176.91 179.96 2f81 h THR 191 N 0.30 1.23 0.00 2.22 1.35 -1.42 -1.35 112.91 115.25 2f81 h THR 191 Ca 0.07 -1.05 -0.03 0.00 -0.55 0.00 0.00 66.41 64.84 2f81 h THR 191 Cb 0.24 1.26 -0.00 0.00 -1.73 0.00 0.00 68.15 67.91 2f81 h THR 191 CO 0.01 0.33 -0.17 1.56 -0.25 0.00 0.00 175.52 177.00 2f81 h GLN 192 N 0.36 0.00 -0.15 4.72 4.20 -1.39 -2.51 115.11 120.34 2f81 h GLN 192 Ca 0.06 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.77 2f81 h GLN 192 Cb 0.52 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.30 2f81 h GLN 192 CO 0.03 0.17 0.00 0.44 -0.67 0.00 0.00 178.83 178.80 2f81 n ILE 193 N -3.58 0.17 -1.78 2.54 -5.35 -1.06 -4.91 119.36 105.39 2f81 n ILE 193 Ca -0.01 -0.56 -0.00 0.00 -0.27 0.00 0.00 62.75 61.91 2f81 n ILE 193 Cb 0.31 1.23 -0.00 0.00 -1.74 0.00 0.00 39.64 39.44 2f81 n ILE 193 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2f81 n GLY 194 N 1.39 0.37 3.76 3.28 0.00 -0.94 -5.03 105.19 108.02 2f81 n GLY 194 Ca 0.16 -0.93 -0.39 0.00 0.00 0.00 0.00 46.02 44.86 2f81 n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2f81 s ALA 195 N -2.01 3.30 0.12 4.61 0.00 -0.54 -5.03 121.76 122.20 2f81 s ALA 195 Ca 0.00 0.66 0.03 0.00 0.00 0.00 0.00 51.96 52.65 2f81 s ALA 195 Cb 0.00 -3.23 -0.04 0.00 0.00 0.00 0.00 23.12 19.85 2f81 s ALA 195 CO 0.00 0.09 -0.09 0.95 0.00 0.00 0.00 175.76 176.71 2f81 s THR 196 N -1.33 0.93 -0.11 0.00 -4.23 -1.26 -4.72 115.64 104.92 2f81 s THR 196 Ca 0.46 -1.90 -0.10 0.00 -1.18 0.00 0.00 61.69 58.96 2f81 s THR 196 Cb -0.25 -1.66 -0.05 0.00 1.34 0.00 0.00 72.50 71.89 2f81 s THR 196 CO 0.31 -0.75 0.22 -0.76 -0.54 0.00 0.00 174.62 173.11 2f81 s LEU 197 N -2.93 4.37 -0.01 4.79 1.43 -1.26 -5.09 118.68 119.98 2f81 s LEU 197 Ca 0.12 0.57 0.02 0.00 -1.03 0.00 0.00 54.13 53.81 2f81 s LEU 197 Cb 0.02 -2.24 -0.00 0.00 0.03 0.00 0.00 46.19 44.00 2f81 s LEU 197 CO -0.02 0.32 -0.08 0.20 0.23 0.00 0.00 176.35 177.00 2f81 s ASN 198 N -0.67 0.95 0.00 2.29 0.01 -1.26 -5.29 114.94 110.98 2f81 s ASN 198 Ca 0.16 -0.15 0.00 0.00 -0.71 0.00 0.00 52.86 52.17 2f81 s ASN 198 Cb -0.13 -0.13 0.00 0.00 0.41 0.00 0.00 41.25 41.40 2f81 s ASN 198 CO 0.06 0.09 0.00 2.22 -1.51 0.00 0.00 177.10 177.96