#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d4i s GLN 102 N 0.00 3.53 -0.19 0.54 0.74 -1.26 -5.09 119.66 117.93 1d4i s GLN 102 Ca 0.00 -0.57 -0.03 0.00 0.05 0.00 0.00 55.36 54.81 1d4i s GLN 102 Cb 0.00 -3.01 -0.01 0.00 1.10 0.00 0.00 33.01 31.09 1d4i s GLN 102 CO 0.00 -0.02 -0.06 0.42 -0.55 0.00 0.00 175.29 175.08 1d4i s ILE 103 N 1.05 3.45 0.74 -2.34 1.01 -1.26 -5.11 121.20 118.74 1d4i s ILE 103 Ca 0.01 -0.49 -0.07 0.00 0.00 0.00 0.00 60.65 60.10 1d4i s ILE 103 Cb -0.15 -2.53 0.09 0.00 0.01 0.00 0.00 42.46 39.88 1d4i s ILE 103 CO 0.01 0.46 1.05 0.42 0.00 0.00 0.00 174.94 176.88 1d4i s THR 104 N 0.98 2.22 -0.20 2.92 -4.23 -1.26 -5.03 115.64 111.05 1d4i s THR 104 Ca -0.00 -0.27 0.14 0.00 -1.18 0.00 0.00 61.69 60.38 1d4i s THR 104 Cb -0.15 -2.95 0.42 0.00 1.34 0.00 0.00 72.50 71.17 1d4i s THR 104 CO 0.00 0.00 1.29 0.18 -0.54 0.00 0.00 174.62 175.56 1d4i n LEU 105 N -3.02 3.15 0.24 4.79 4.77 -1.26 -4.61 117.00 121.07 1d4i n LEU 105 Ca 0.10 -3.43 0.11 0.00 -0.03 0.00 0.00 56.01 52.75 1d4i n LEU 105 Cb 0.60 -0.52 0.59 0.00 -2.33 0.00 0.00 43.42 41.75 1d4i n LEU 105 CO 0.50 1.00 0.88 -0.50 -1.33 0.00 0.00 177.39 177.94 1d4i h TRP 106 N 0.83 0.00 -3.21 -1.77 4.06 -2.06 -3.43 115.95 110.37 1d4i h TRP 106 Ca 0.05 0.00 -0.42 0.00 2.06 0.00 0.00 58.89 60.58 1d4i h TRP 106 Cb 1.24 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.26 1d4i h TRP 106 CO 0.52 0.19 -0.62 1.14 -3.56 0.00 0.00 178.44 176.11 1d4i s GLN 107 N -3.94 1.51 0.30 0.49 -2.07 -1.26 -5.11 119.66 109.58 1d4i s GLN 107 Ca -0.01 -1.81 -0.30 0.00 -1.82 0.00 0.00 55.36 51.41 1d4i s GLN 107 Cb 0.12 -0.65 -0.12 0.00 -1.09 0.00 0.00 33.01 31.27 1d4i s GLN 107 CO 0.61 -0.19 1.60 0.54 -1.32 0.00 0.00 175.29 176.53 1d4i n ARG 108 N -0.56 2.73 -1.92 9.60 1.74 -1.26 -4.85 116.66 122.13 1d4i n ARG 108 Ca -0.02 0.97 -0.41 0.00 -0.77 0.00 0.00 57.85 57.62 1d4i n ARG 108 Cb 0.66 -2.75 -0.02 0.00 -1.02 0.00 0.00 32.46 29.33 1d4i n ARG 108 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1d4i n PRO 109 N 2.04 2.56 -3.40 5.56 -0.04 -1.26 -4.93 135.00 135.54 1d4i n PRO 109 Ca 0.08 -2.65 -0.38 0.00 -0.04 0.00 0.00 63.50 60.51 1d4i n PRO 109 Cb 0.37 -3.34 -0.06 0.00 -0.04 0.00 0.00 33.50 30.43 1d4i n PRO 109 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1d4i s LEU 110 N 3.68 4.42 0.17 1.53 1.43 -1.26 -1.29 118.68 127.36 1d4i s LEU 110 Ca 0.54 0.97 0.01 0.00 -1.03 0.00 0.00 54.13 54.62 1d4i s LEU 110 Cb 0.09 -2.67 -0.05 0.00 0.03 0.00 0.00 46.19 43.60 1d4i s LEU 110 CO 0.03 0.21 0.01 0.68 0.23 0.00 0.00 176.35 177.51 1d4i s VAL 111 N -0.54 0.59 -0.07 -1.59 -7.23 0.14 -4.95 120.40 106.74 1d4i s VAL 111 Ca 0.25 -1.97 -0.16 0.00 -1.81 0.00 0.00 61.98 58.29 1d4i s VAL 111 Cb -0.17 -2.11 -0.05 0.00 0.56 0.00 0.00 36.38 34.61 1d4i s VAL 111 CO 0.13 -0.47 0.43 -0.89 -0.31 0.00 0.00 175.10 173.99 1d4i s THR 112 N -3.72 5.13 0.25 5.32 2.01 -1.26 -0.84 115.64 122.53 1d4i s THR 112 Ca 0.24 0.87 0.11 0.00 0.31 0.00 0.00 61.69 63.21 1d4i s THR 112 Cb 0.06 -3.76 -0.05 0.00 0.01 0.00 0.00 72.50 68.77 1d4i s THR 112 CO 0.04 0.44 -0.19 0.27 -0.69 0.00 0.00 174.62 174.48 1d4i s ILE 113 N -0.08 2.27 -0.12 1.82 -4.36 0.55 -2.01 121.20 119.26 1d4i s ILE 113 Ca 0.24 -2.29 0.01 0.00 -0.26 0.00 0.00 60.65 58.35 1d4i s ILE 113 Cb -0.16 -2.20 0.02 0.00 1.25 0.00 0.00 42.46 41.38 1d4i s ILE 113 CO 0.11 -0.40 -0.15 -0.75 0.24 0.00 0.00 174.94 173.99 1d4i s LYS 114 N -3.39 2.24 -0.09 0.37 2.20 0.33 -1.16 119.74 120.24 1d4i s LYS 114 Ca 0.26 -0.56 -0.06 0.00 -0.36 0.00 0.00 55.97 55.26 1d4i s LYS 114 Cb -0.05 -1.97 0.04 0.00 -1.51 0.00 0.00 37.83 34.34 1d4i s LYS 114 CO 0.12 -0.13 0.23 -1.50 -0.36 0.00 0.00 175.35 173.70 1d4i s ILE 115 N 1.19 -0.03 -1.59 5.43 2.07 -0.37 -1.07 121.20 126.84 1d4i s ILE 115 Ca -0.02 0.10 -0.04 0.00 -1.41 0.00 0.00 60.65 59.28 1d4i s ILE 115 Cb -0.14 -0.34 0.00 0.00 0.13 0.00 0.00 42.46 42.11 1d4i s ILE 115 CO -0.05 0.04 0.57 0.61 -1.91 0.00 0.00 174.94 174.20 1d4i n GLY 116 N 3.80 -0.52 2.55 1.50 0.00 -1.26 -1.33 105.19 109.93 1d4i n GLY 116 Ca -0.21 0.12 -0.01 0.00 0.00 0.00 0.00 46.02 45.92 1d4i n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1d4i n GLY 117 N -1.50 0.30 3.44 -0.02 0.00 -1.26 -4.99 105.19 101.15 1d4i n GLY 117 Ca -0.13 -0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 1d4i n GLY 117 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1d4i s GLN 118 N -1.28 1.87 -0.07 1.61 -0.21 -0.44 -5.12 119.66 116.02 1d4i s GLN 118 Ca 0.00 -1.10 -0.15 0.00 0.02 0.00 0.00 55.36 54.14 1d4i s GLN 118 Cb 0.00 -2.10 -0.05 0.00 1.00 0.00 0.00 33.01 31.86 1d4i s GLN 118 CO 0.00 0.51 0.38 -0.51 -2.12 0.00 0.00 175.29 173.55 1d4i s LEU 119 N -1.65 4.37 0.09 2.90 1.43 -1.26 -1.23 118.68 123.33 1d4i s LEU 119 Ca 0.15 0.80 -0.02 0.00 -1.03 0.00 0.00 54.13 54.02 1d4i s LEU 119 Cb -0.10 -2.53 -0.04 0.00 0.03 0.00 0.00 46.19 43.55 1d4i s LEU 119 CO 0.06 0.21 0.03 -0.54 0.23 0.00 0.00 176.35 176.34 1d4i s LYS 120 N -0.36 0.77 -0.12 1.70 1.02 -0.31 -4.98 119.74 117.46 1d4i s LYS 120 Ca 0.22 -1.28 -0.05 0.00 0.02 0.00 0.00 55.97 54.88 1d4i s LYS 120 Cb -0.15 0.24 -0.04 0.00 -0.52 0.00 0.00 37.83 37.36 1d4i s LYS 120 CO 0.10 -0.19 0.05 -1.21 -0.92 0.00 0.00 175.35 173.17 1d4i s GLU 121 N -3.97 3.38 0.05 1.68 2.02 -1.26 -0.33 118.70 120.27 1d4i s GLU 121 Ca 0.14 -0.33 -0.02 0.00 0.02 0.00 0.00 54.97 54.78 1d4i s GLU 121 Cb 0.07 -3.00 -0.04 0.00 0.10 0.00 0.00 34.13 31.27 1d4i s GLU 121 CO -0.05 0.59 -0.01 0.00 0.02 0.00 0.00 175.26 175.80 1d4i s ALA 122 N -0.53 0.43 -0.15 5.21 0.00 -0.02 -4.45 121.76 122.25 1d4i s ALA 122 Ca 0.10 -1.13 -0.13 0.00 0.00 0.00 0.00 51.96 50.80 1d4i s ALA 122 Cb -0.12 0.28 -0.05 0.00 0.00 0.00 0.00 23.12 23.23 1d4i s ALA 122 CO 0.02 -0.37 0.29 -1.17 0.00 0.00 0.00 175.76 174.53 1d4i s LEU 123 N -2.82 4.26 -0.49 0.00 0.20 0.04 -0.68 118.68 119.20 1d4i s LEU 123 Ca 0.05 0.52 -0.27 0.00 0.69 0.00 0.00 54.13 55.13 1d4i s LEU 123 Cb 0.07 -2.36 0.03 0.00 -0.43 0.00 0.00 46.19 43.49 1d4i s LEU 123 CO -0.09 0.13 1.03 -0.76 -0.29 0.00 0.00 176.35 176.36 1d4i s LEU 124 N 0.31 3.83 -0.33 -0.68 1.43 -0.41 -0.53 118.68 122.30 1d4i s LEU 124 Ca 0.17 0.19 0.02 0.00 -1.03 0.00 0.00 54.13 53.47 1d4i s LEU 124 Cb -0.13 -3.28 0.09 0.00 0.03 0.00 0.00 46.19 42.90 1d4i s LEU 124 CO 0.04 -1.18 0.04 -0.62 0.23 0.00 0.00 176.35 174.86 1d4i s ASP 125 N 2.46 4.81 0.31 2.29 -1.08 -0.51 -4.79 116.67 120.16 1d4i s ASP 125 Ca 0.41 -1.89 0.26 0.00 -0.52 0.00 0.00 52.55 50.81 1d4i s ASP 125 Cb -0.09 -1.66 1.03 0.00 -1.46 0.00 0.00 42.92 40.74 1d4i s ASP 125 CO 0.28 -0.36 1.77 0.71 0.52 0.00 0.00 175.17 178.08 1d4i h THR 126 N 6.58 0.00 -0.00 1.71 1.35 -1.94 -2.58 112.91 118.02 1d4i h THR 126 Ca -0.11 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.44 1d4i h THR 126 Cb 1.03 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 68.57 1d4i h THR 126 CO 0.54 0.00 -0.16 0.61 -0.25 0.00 0.00 175.52 176.27 1d4i n GLY 127 N 0.11 -0.94 3.60 5.82 0.00 -1.26 -4.79 105.19 107.73 1d4i n GLY 127 Ca 0.02 -0.29 -0.36 0.00 0.00 0.00 0.00 46.02 45.39 1d4i n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d4i s ALA 128 N -2.55 3.46 0.19 4.61 0.00 -0.97 -4.98 121.76 121.52 1d4i s ALA 128 Ca 0.26 -0.94 -0.07 0.00 0.00 0.00 0.00 51.96 51.21 1d4i s ALA 128 Cb 0.20 -2.21 0.11 0.00 0.00 0.00 0.00 23.12 21.22 1d4i s ALA 128 CO 0.50 -0.23 1.60 -0.44 0.00 0.00 0.00 175.76 177.19 1d4i h ASP 129 N 7.63 0.90 -0.32 0.00 3.32 -1.87 0.37 116.42 126.45 1d4i h ASP 129 Ca -0.37 -0.32 -0.68 0.00 0.02 0.00 0.00 57.03 55.68 1d4i h ASP 129 Cb 1.17 -0.25 -0.13 0.00 0.22 0.00 0.00 39.33 40.35 1d4i h ASP 129 CO 0.63 1.07 -0.50 -1.81 -1.72 0.00 0.00 179.24 176.91 1d4i s ASP 130 N -6.73 4.16 -0.19 6.45 1.01 -1.26 -2.78 116.67 117.34 1d4i s ASP 130 Ca -0.10 -1.65 -0.04 0.00 0.71 0.00 0.00 52.55 51.46 1d4i s ASP 130 Cb 0.13 0.55 -0.02 0.00 1.01 0.00 0.00 42.92 44.58 1d4i s ASP 130 CO 0.85 -0.88 -0.02 -0.89 0.21 0.00 0.00 175.17 174.45 1d4i s THR 131 N -2.88 3.90 -0.05 -1.27 2.01 -1.26 -2.93 115.64 113.16 1d4i s THR 131 Ca 0.06 -0.34 0.02 0.00 0.31 0.00 0.00 61.69 61.74 1d4i s THR 131 Cb 0.01 -2.74 0.01 0.00 0.01 0.00 0.00 72.50 69.79 1d4i s THR 131 CO 0.03 0.45 -0.08 0.54 -0.69 0.00 0.00 174.62 174.87 1d4i s VAL 132 N 0.80 0.80 0.20 3.82 0.11 -0.58 -0.18 120.40 125.38 1d4i s VAL 132 Ca -0.00 -0.31 0.10 0.00 -2.93 0.00 0.00 61.98 58.84 1d4i s VAL 132 Cb -0.14 -0.76 -0.04 0.00 -1.53 0.00 0.00 36.38 33.91 1d4i s VAL 132 CO 0.02 0.27 -0.15 -0.76 -3.33 0.00 0.00 175.10 171.15 1d4i s LEU 133 N 0.63 2.75 0.78 2.54 1.43 0.11 -0.48 118.68 126.43 1d4i s LEU 133 Ca -0.11 -0.74 -0.14 0.00 -1.03 0.00 0.00 54.13 52.12 1d4i s LEU 133 Cb -0.13 -1.42 0.07 0.00 0.03 0.00 0.00 46.19 44.73 1d4i s LEU 133 CO 0.02 0.10 1.19 -1.61 0.23 0.00 0.00 176.35 176.28 1d4i s GLU 134 N -2.89 1.86 -0.10 1.70 2.02 -1.26 -1.88 118.70 118.14 1d4i s GLU 134 Ca 0.24 1.70 -0.41 0.00 0.02 0.00 0.00 54.97 56.52 1d4i s GLU 134 Cb -0.08 -1.81 -0.20 0.00 0.10 0.00 0.00 34.13 32.15 1d4i s GLU 134 CO 0.13 -2.03 1.20 -1.91 0.02 0.00 0.00 175.26 172.67 1d4i n GLU 135 N -3.11 0.05 -3.79 1.61 4.07 -1.23 -4.67 120.64 113.57 1d4i n GLU 135 Ca 0.13 0.02 -0.04 0.00 -0.06 0.00 0.00 57.16 57.21 1d4i n GLU 135 Cb 0.51 -1.52 -0.01 0.00 -0.06 0.00 0.00 31.44 30.35 1d4i n GLU 135 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1d4i s MET 136 N 0.68 1.37 -0.21 5.31 0.23 -1.26 -5.05 119.30 120.37 1d4i s MET 136 Ca 0.94 -0.78 -0.10 0.00 -1.03 0.00 0.00 55.69 54.72 1d4i s MET 136 Cb -1.31 0.45 -0.05 0.00 -1.53 0.00 0.00 34.83 32.40 1d4i s MET 136 CO 0.62 -0.63 0.14 0.45 -2.03 0.00 0.00 175.02 173.57 1d4i s SER 137 N -2.99 6.18 0.11 -1.18 0.15 -1.26 -5.06 113.70 109.64 1d4i s SER 137 Ca 0.13 0.20 0.06 0.00 0.70 0.00 0.00 55.95 57.04 1d4i s SER 137 Cb -0.03 -2.09 -0.04 0.00 -1.71 0.00 0.00 66.02 62.16 1d4i s SER 137 CO 0.04 0.15 -0.15 -0.76 1.20 0.00 0.00 173.24 173.72 1d4i s LEU 138 N 0.53 2.36 0.61 3.45 1.43 -1.26 -5.02 118.68 120.78 1d4i s LEU 138 Ca 0.08 -0.75 -0.15 0.00 -1.03 0.00 0.00 54.13 52.28 1d4i s LEU 138 Cb -0.12 -0.60 -0.03 0.00 0.03 0.00 0.00 46.19 45.48 1d4i s LEU 138 CO -0.00 -0.10 1.07 -2.84 0.23 0.00 0.00 176.35 174.71 1d4i s PRO 139 N -2.35 3.19 0.65 1.29 0.02 -1.26 -4.94 135.00 131.59 1d4i s PRO 139 Ca 0.06 1.23 0.00 0.00 0.02 0.00 0.00 61.00 62.31 1d4i s PRO 139 Cb -0.07 -2.01 0.00 0.00 0.02 0.00 0.00 34.50 32.44 1d4i s PRO 139 CO 0.03 -0.92 0.00 0.41 -0.33 0.00 0.00 177.00 176.19 1d4i n GLY 140 N -0.94 -2.03 3.93 0.52 0.00 -1.26 -4.94 105.19 100.47 1d4i n GLY 140 Ca 0.09 -1.63 -0.26 0.00 0.00 0.00 0.00 46.02 44.22 1d4i n GLY 140 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1d4i s ARG 141 N -0.06 3.54 0.23 1.61 0.52 -1.26 -5.11 118.95 118.43 1d4i s ARG 141 Ca 0.00 -0.19 0.08 0.00 -0.52 0.00 0.00 55.73 55.09 1d4i s ARG 141 Cb 0.00 -2.66 -0.05 0.00 0.52 0.00 0.00 34.95 32.76 1d4i s ARG 141 CO 0.00 0.18 -0.13 1.67 0.02 0.00 0.00 175.30 177.05 1d4i s TRP 142 N -2.21 1.81 0.18 -0.53 1.48 -1.26 -4.68 118.94 113.74 1d4i s TRP 142 Ca 0.41 -0.59 0.11 0.00 -1.06 0.00 0.00 56.10 54.98 1d4i s TRP 142 Cb -0.10 -0.89 -0.04 0.00 -1.16 0.00 0.00 33.47 31.28 1d4i s TRP 142 CO 0.34 0.37 -0.24 0.15 -4.06 0.00 0.00 176.95 173.50 1d4i s LYS 143 N -3.66 1.48 0.40 3.25 1.02 -0.62 -4.88 119.74 116.74 1d4i s LYS 143 Ca 0.25 -1.50 -0.22 0.00 0.02 0.00 0.00 55.97 54.52 1d4i s LYS 143 Cb 0.00 -1.80 -0.11 0.00 -0.52 0.00 0.00 37.83 35.40 1d4i s LYS 143 CO 0.09 0.39 0.96 -1.25 -0.92 0.00 0.00 175.35 174.62 1d4i s PRO 144 N -2.62 4.30 -0.06 -1.68 0.04 -1.26 -0.35 135.00 133.37 1d4i s PRO 144 Ca 0.20 1.20 -0.22 0.00 0.04 0.00 0.00 61.00 62.21 1d4i s PRO 144 Cb -0.08 -2.35 0.05 0.00 0.04 0.00 0.00 34.50 32.16 1d4i s PRO 144 CO 0.09 0.02 0.50 0.21 0.04 0.00 0.00 177.00 177.87 1d4i s LYS 145 N -2.87 0.83 -0.12 4.56 2.20 -1.04 -4.86 119.74 118.43 1d4i s LYS 145 Ca 0.59 0.14 0.03 0.00 -0.36 0.00 0.00 55.97 56.37 1d4i s LYS 145 Cb -0.12 0.38 0.00 0.00 -1.51 0.00 0.00 37.83 36.58 1d4i s LYS 145 CO 0.17 -0.23 -0.21 -1.64 -0.36 0.00 0.00 175.35 173.07 1d4i s MET 146 N -1.02 3.08 -0.03 4.03 -1.94 -1.26 -1.14 119.30 121.03 1d4i s MET 146 Ca -0.10 -0.84 0.07 0.00 -1.71 0.00 0.00 55.69 53.10 1d4i s MET 146 Cb -0.03 -2.41 -0.02 0.00 2.01 0.00 0.00 34.83 34.38 1d4i s MET 146 CO 0.06 0.08 -0.23 0.96 -0.01 0.00 0.00 175.02 175.88 1d4i s ILE 147 N 0.59 1.86 -0.12 2.53 -4.36 -0.88 -4.97 121.20 115.85 1d4i s ILE 147 Ca -0.12 -1.00 -0.03 0.00 -0.26 0.00 0.00 60.65 59.25 1d4i s ILE 147 Cb -0.17 -1.55 -0.03 0.00 1.25 0.00 0.00 42.46 41.96 1d4i s ILE 147 CO 0.03 0.53 -0.02 -0.83 0.24 0.00 0.00 174.94 174.89 1d4i s GLY 148 N -0.44 1.78 0.00 6.27 0.00 -1.26 -1.77 107.32 111.90 1d4i s GLY 148 Ca 0.06 -0.82 0.00 0.00 0.00 0.00 0.00 44.72 43.96 1d4i s GLY 148 CO 0.00 -0.31 0.00 0.61 0.00 0.00 0.00 173.10 173.40 1d4i n GLY 149 N 2.87 6.52 0.23 0.20 0.00 0.66 -4.98 105.19 110.68 1d4i n GLY 149 Ca -0.18 -1.99 0.04 0.00 0.00 0.00 0.00 46.02 43.89 1d4i n GLY 149 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1d4i h ILE 150 N 0.29 1.14 -0.02 -0.61 3.07 -2.02 -3.02 117.51 116.34 1d4i h ILE 150 Ca 0.00 -0.65 0.00 0.00 1.55 0.00 0.00 64.86 65.76 1d4i h ILE 150 Cb 0.00 1.28 0.00 0.00 -0.27 0.00 0.00 36.82 37.83 1d4i h ILE 150 CO 0.00 0.19 -0.22 0.61 -1.05 0.00 0.00 178.15 177.69 1d4i n GLY 151 N -0.99 0.35 0.00 0.16 0.00 -1.26 -5.07 105.19 98.38 1d4i n GLY 151 Ca -0.02 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.38 1d4i n GLY 151 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1d4i n GLY 152 N 1.36 0.86 3.71 -0.02 0.00 -1.14 -5.11 105.19 104.84 1d4i n GLY 152 Ca 0.12 -1.90 -0.26 0.00 0.00 0.00 0.00 46.02 43.98 1d4i n GLY 152 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1d4i s PHE 153 N -2.64 2.93 0.03 1.61 0.40 -1.26 -0.25 117.98 118.80 1d4i s PHE 153 Ca 0.00 -0.10 0.01 0.00 -0.60 0.00 0.00 56.93 56.24 1d4i s PHE 153 Cb 0.00 -1.41 -0.02 0.00 0.51 0.00 0.00 43.02 42.10 1d4i s PHE 153 CO 0.00 0.52 -0.05 0.96 0.70 0.00 0.00 175.22 177.35 1d4i s ILE 154 N -1.76 0.31 -0.05 0.64 -4.36 -0.73 -4.99 121.20 110.27 1d4i s ILE 154 Ca 0.29 -0.90 -0.16 0.00 -0.26 0.00 0.00 60.65 59.61 1d4i s ILE 154 Cb -0.09 -0.41 -0.05 0.00 1.25 0.00 0.00 42.46 43.16 1d4i s ILE 154 CO 0.20 -0.39 0.44 -1.59 0.24 0.00 0.00 174.94 173.84 1d4i s LYS 155 N -1.37 4.12 0.24 0.37 -2.85 -1.26 -2.07 119.74 116.92 1d4i s LYS 155 Ca -0.12 0.43 0.03 0.00 -1.00 0.00 0.00 55.97 55.31 1d4i s LYS 155 Cb -0.09 -3.31 -0.05 0.00 -2.06 0.00 0.00 37.83 32.31 1d4i s LYS 155 CO -0.00 0.47 0.03 0.14 0.10 0.00 0.00 175.35 176.08 1d4i s VAL 156 N -0.37 0.89 -0.19 1.79 -7.23 -0.29 -4.54 120.40 110.46 1d4i s VAL 156 Ca 0.24 -2.01 -0.08 0.00 -1.81 0.00 0.00 61.98 58.32 1d4i s VAL 156 Cb -0.16 -2.43 -0.04 0.00 0.56 0.00 0.00 36.38 34.30 1d4i s VAL 156 CO 0.12 -0.23 0.08 -0.13 -0.31 0.00 0.00 175.10 174.63 1d4i s ARG 157 N -3.91 4.02 -0.25 4.82 0.52 0.37 -2.50 118.95 122.02 1d4i s ARG 157 Ca 0.31 -0.31 -0.10 0.00 -0.52 0.00 0.00 55.73 55.10 1d4i s ARG 157 Cb 0.07 -3.28 -0.05 0.00 0.52 0.00 0.00 34.95 32.20 1d4i s ARG 157 CO 0.10 0.26 0.16 -1.14 0.02 0.00 0.00 175.30 174.69 1d4i s GLN 158 N 0.44 3.97 -0.09 3.54 0.74 0.53 -0.90 119.66 127.88 1d4i s GLN 158 Ca 0.05 -0.32 0.02 0.00 0.05 0.00 0.00 55.36 55.16 1d4i s GLN 158 Cb -0.12 -3.54 -0.02 0.00 1.10 0.00 0.00 33.01 30.43 1d4i s GLN 158 CO -0.00 -0.05 -0.15 0.71 -0.55 0.00 0.00 175.29 175.25 1d4i s TYR 159 N 1.35 2.72 0.20 1.67 1.51 -0.47 -1.59 117.35 122.74 1d4i s TYR 159 Ca 0.07 -0.47 0.06 0.00 -1.01 0.00 0.00 57.07 55.71 1d4i s TYR 159 Cb -0.15 -1.73 -0.04 0.00 -0.11 0.00 0.00 41.96 39.94 1d4i s TYR 159 CO 0.07 -0.06 0.18 -0.51 -1.11 0.00 0.00 175.55 174.12 1d4i s ASP 160 N -0.13 5.64 -1.31 2.29 1.01 -1.26 -1.09 116.67 121.82 1d4i s ASP 160 Ca -0.02 -0.14 -0.01 0.00 0.71 0.00 0.00 52.55 53.09 1d4i s ASP 160 Cb -0.14 -1.49 -0.00 0.00 1.01 0.00 0.00 42.92 42.30 1d4i s ASP 160 CO 0.04 0.02 0.65 1.67 0.21 0.00 0.00 175.17 177.75 1d4i n GLN 161 N -0.73 -4.25 -3.60 8.23 7.27 -1.13 -4.92 117.38 118.24 1d4i n GLN 161 Ca -0.08 0.57 -0.37 0.00 0.07 0.00 0.00 57.00 57.19 1d4i n GLN 161 Cb 0.56 -4.98 -0.07 0.00 2.41 0.00 0.00 30.24 28.16 1d4i n GLN 161 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 1d4i s ILE 162 N -3.72 5.29 -0.07 1.69 -1.09 0.41 -4.75 121.20 118.97 1d4i s ILE 162 Ca 0.04 0.53 -0.28 0.00 -2.23 0.00 0.00 60.65 58.72 1d4i s ILE 162 Cb -0.01 -3.60 -0.02 0.00 -1.58 0.00 0.00 42.46 37.24 1d4i s ILE 162 CO 0.83 0.47 0.90 -0.22 -1.23 0.00 0.00 174.94 175.69 1d4i s LEU 163 N -0.12 4.30 -0.08 2.97 0.20 -1.26 -1.45 118.68 123.24 1d4i s LEU 163 Ca 0.17 1.45 -0.04 0.00 0.69 0.00 0.00 54.13 56.40 1d4i s LEU 163 Cb -0.13 -3.40 0.04 0.00 -0.43 0.00 0.00 46.19 42.26 1d4i s LEU 163 CO 0.06 -0.29 0.19 -0.51 -0.29 0.00 0.00 176.35 175.51 1d4i s ILE 164 N 1.37 -0.04 -0.24 6.68 2.07 0.24 -4.55 121.20 126.73 1d4i s ILE 164 Ca 0.46 0.14 -0.09 0.00 -1.41 0.00 0.00 60.65 59.75 1d4i s ILE 164 Cb -0.19 -0.30 -0.04 0.00 0.13 0.00 0.00 42.46 42.05 1d4i s ILE 164 CO 0.21 0.06 0.13 -0.70 -1.91 0.00 0.00 174.94 172.73 1d4i s GLU 165 N 1.08 3.95 -0.26 3.50 2.12 -0.24 -0.29 118.70 128.56 1d4i s GLU 165 Ca -0.08 -0.33 -0.02 0.00 0.36 0.00 0.00 54.97 54.90 1d4i s GLU 165 Cb -0.10 -3.47 0.03 0.00 0.26 0.00 0.00 34.13 30.85 1d4i s GLU 165 CO -0.06 -0.00 -0.05 0.42 -0.54 0.00 0.00 175.26 175.03 1d4i s ILE 166 N 1.20 2.94 -1.62 -3.70 1.01 0.13 -0.52 121.20 120.65 1d4i s ILE 166 Ca 0.06 -1.05 -0.17 0.00 0.00 0.00 0.00 60.65 59.49 1d4i s ILE 166 Cb -0.14 -2.52 0.14 0.00 0.01 0.00 0.00 42.46 39.95 1d4i s ILE 166 CO 0.05 0.15 0.78 0.00 0.00 0.00 0.00 174.94 175.92 1d4i n GLY 168 N -1.39 3.28 3.69 0.00 0.00 -1.26 -5.04 105.19 104.47 1d4i n GLY 168 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 1d4i n GLY 168 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1d4i s HIS 169 N -2.52 3.49 0.07 1.61 4.02 0.56 -5.04 115.29 117.49 1d4i s HIS 169 Ca 0.00 1.11 -0.28 0.00 1.02 0.00 0.00 55.06 56.91 1d4i s HIS 169 Cb 0.00 -2.80 -0.05 0.00 -1.02 0.00 0.00 32.58 28.71 1d4i s HIS 169 CO 0.00 -0.02 0.87 0.15 1.02 0.00 0.00 174.74 176.76 1d4i s LYS 170 N 1.27 4.60 0.07 1.40 1.02 -1.26 0.22 119.74 127.05 1d4i s LYS 170 Ca 0.34 1.28 0.03 0.00 0.02 0.00 0.00 55.97 57.63 1d4i s LYS 170 Cb -0.17 -3.38 -0.03 0.00 -0.52 0.00 0.00 37.83 33.74 1d4i s LYS 170 CO 0.14 0.22 -0.10 0.00 -0.92 0.00 0.00 175.35 174.70 1d4i s ALA 171 N 0.05 0.88 -0.17 5.17 0.00 0.60 -4.93 121.76 123.36 1d4i s ALA 171 Ca 0.43 -0.98 -0.03 0.00 0.00 0.00 0.00 51.96 51.38 1d4i s ALA 171 Cb -0.22 0.02 0.05 0.00 0.00 0.00 0.00 23.12 22.98 1d4i s ALA 171 CO 0.27 -0.00 0.04 0.42 0.00 0.00 0.00 175.76 176.49 1d4i s ILE 172 N -1.83 0.34 0.00 0.00 1.01 -1.26 -0.59 121.20 118.86 1d4i s ILE 172 Ca -0.02 -0.34 0.00 0.00 0.00 0.00 0.00 60.65 60.29 1d4i s ILE 172 Cb -0.07 -0.82 0.00 0.00 0.01 0.00 0.00 42.46 41.58 1d4i s ILE 172 CO 0.00 -0.15 0.00 0.61 0.00 0.00 0.00 174.94 175.40 1d4i n GLY 173 N 5.13 2.10 3.72 6.18 0.00 -0.53 -4.80 105.19 116.99 1d4i n GLY 173 Ca -0.08 -0.79 -0.42 0.00 0.00 0.00 0.00 46.02 44.73 1d4i n GLY 173 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1d4i s THR 174 N -2.72 4.67 -0.06 2.61 2.01 -1.26 -0.45 115.64 120.45 1d4i s THR 174 Ca 0.00 2.00 0.03 0.00 0.31 0.00 0.00 61.69 64.03 1d4i s THR 174 Cb 0.00 -4.28 0.01 0.00 0.01 0.00 0.00 72.50 68.24 1d4i s THR 174 CO 0.00 0.20 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.30 1d4i s VAL 175 N 0.71 1.23 -0.03 3.82 1.01 -0.25 -4.56 120.40 122.33 1d4i s VAL 175 Ca 0.51 -0.57 -0.03 0.00 0.00 0.00 0.00 61.98 61.90 1d4i s VAL 175 Cb -0.23 -1.09 -0.04 0.00 0.00 0.00 0.00 36.38 35.02 1d4i s VAL 175 CO 0.29 0.37 0.16 -0.76 0.00 0.00 0.00 175.10 175.16 1d4i s LEU 176 N 0.39 4.29 -0.08 3.92 1.43 0.75 -1.36 118.68 128.02 1d4i s LEU 176 Ca -0.10 0.33 0.02 0.00 -1.03 0.00 0.00 54.13 53.35 1d4i s LEU 176 Cb -0.14 -2.46 0.01 0.00 0.03 0.00 0.00 46.19 43.64 1d4i s LEU 176 CO 0.03 0.29 -0.13 -0.69 0.23 0.00 0.00 176.35 176.08 1d4i s VAL 177 N -1.25 1.23 -0.00 -1.59 1.01 -0.08 0.04 120.40 119.76 1d4i s VAL 177 Ca 0.24 -0.51 -0.05 0.00 0.00 0.00 0.00 61.98 61.66 1d4i s VAL 177 Cb -0.12 -1.13 0.02 0.00 0.00 0.00 0.00 36.38 35.14 1d4i s VAL 177 CO 0.15 0.38 0.24 0.61 0.00 0.00 0.00 175.10 176.48 1d4i n GLY 178 N 3.98 0.61 2.34 4.51 0.00 -0.79 -0.47 105.19 115.37 1d4i n GLY 178 Ca -0.21 -0.88 -0.13 0.00 0.00 0.00 0.00 46.02 44.80 1d4i n GLY 178 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1d4i n PRO 179 N -0.17 1.59 -2.95 1.61 -0.04 -1.26 -3.50 135.00 130.27 1d4i n PRO 179 Ca 0.01 -0.94 -0.36 0.00 -0.04 0.00 0.00 63.50 62.17 1d4i n PRO 179 Cb 0.11 -2.05 -0.06 0.00 -0.04 0.00 0.00 33.50 31.45 1d4i n PRO 179 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1d4i s THR 180 N 2.34 4.42 0.36 0.52 -1.32 -1.26 -4.96 115.64 115.75 1d4i s THR 180 Ca 0.41 1.49 0.25 0.00 -1.21 0.00 0.00 61.69 62.63 1d4i s THR 180 Cb 0.16 -3.88 0.26 0.00 -1.51 0.00 0.00 72.50 67.54 1d4i s THR 180 CO -0.01 0.11 2.01 -0.65 -2.21 0.00 0.00 174.62 173.86 1d4i h PRO 181 N 3.10 0.00 -3.44 7.08 0.11 -1.98 -3.44 132.00 133.43 1d4i h PRO 181 Ca -0.48 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.58 1d4i h PRO 181 Cb 1.19 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.17 1d4i h PRO 181 CO 0.65 0.16 -0.11 0.14 -0.21 0.00 0.00 178.00 178.63 1d4i s VAL 182 N -4.11 0.08 0.06 3.15 -7.23 -1.26 -5.09 120.40 105.99 1d4i s VAL 182 Ca -0.02 -0.67 -0.31 0.00 -1.81 0.00 0.00 61.98 59.17 1d4i s VAL 182 Cb 0.13 -1.22 -0.06 0.00 0.56 0.00 0.00 36.38 35.79 1d4i s VAL 182 CO 0.61 -0.34 1.26 0.20 -0.31 0.00 0.00 175.10 176.51 1d4i s ASN 183 N -2.82 7.00 -0.13 4.85 0.01 -1.26 -4.68 114.94 117.91 1d4i s ASN 183 Ca 0.04 2.08 0.02 0.00 -0.71 0.00 0.00 52.86 54.28 1d4i s ASN 183 Cb 0.02 -2.58 0.01 0.00 0.41 0.00 0.00 41.25 39.12 1d4i s ASN 183 CO -0.11 -0.54 -0.19 -0.63 -1.51 0.00 0.00 177.10 174.12 1d4i s ILE 184 N 1.28 1.80 -0.40 0.60 1.01 0.37 -0.78 121.20 125.08 1d4i s ILE 184 Ca 0.60 -0.82 -0.16 0.00 0.00 0.00 0.00 60.65 60.28 1d4i s ILE 184 Cb -0.31 -1.62 0.01 0.00 0.01 0.00 0.00 42.46 40.56 1d4i s ILE 184 CO 0.29 0.50 0.36 -0.63 0.00 0.00 0.00 174.94 175.45 1d4i s ILE 185 N 0.95 5.18 0.54 2.92 -1.09 0.31 -1.53 121.20 128.48 1d4i s ILE 185 Ca -0.06 -0.40 -0.00 0.00 -2.23 0.00 0.00 60.65 57.96 1d4i s ILE 185 Cb -0.15 -3.94 0.11 0.00 -1.58 0.00 0.00 42.46 36.90 1d4i s ILE 185 CO -0.03 -0.30 0.75 0.61 -1.23 0.00 0.00 174.94 174.73 1d4i n GLY 186 N 5.11 0.65 0.34 6.18 0.00 -1.15 -1.43 105.19 114.89 1d4i n GLY 186 Ca -0.09 -2.01 0.13 0.00 0.00 0.00 0.00 46.02 44.05 1d4i n GLY 186 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1d4i h ARG 187 N 0.00 0.22 -0.53 1.61 3.08 -0.92 -0.78 114.38 117.06 1d4i h ARG 187 Ca -0.25 -0.01 0.05 0.00 0.07 0.00 0.00 59.98 59.84 1d4i h ARG 187 Cb 0.91 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.88 1d4i h ARG 187 CO 0.26 0.14 0.35 -2.95 -1.07 0.00 0.00 179.97 176.71 1d4i h ASN 188 N 0.22 0.46 0.05 7.04 -1.07 -1.79 -1.69 115.58 118.81 1d4i h ASN 188 Ca 0.21 -0.00 -0.26 0.00 0.07 0.00 0.00 56.30 56.32 1d4i h ASN 188 Cb 0.53 -0.10 -0.05 0.00 -2.07 0.00 0.00 38.32 36.63 1d4i h ASN 188 CO -0.04 0.31 -2.21 0.18 0.07 0.00 0.00 177.43 175.74 1d4i n LEU 189 N -4.47 0.07 -0.14 6.14 4.77 -0.77 -4.05 117.00 118.55 1d4i n LEU 189 Ca 0.07 0.03 0.01 0.00 -0.03 0.00 0.00 56.01 56.09 1d4i n LEU 189 Cb 0.20 0.33 0.29 0.00 -2.33 0.00 0.00 43.42 41.91 1d4i n LEU 189 CO 0.35 0.34 1.17 -0.07 -1.33 0.00 0.00 177.39 177.85 1d4i h LEU 190 N 0.00 0.73 -1.01 2.23 3.38 -0.87 -1.34 115.31 118.43 1d4i h LEU 190 Ca -0.38 -0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.45 1d4i h LEU 190 Cb 1.87 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 42.43 1d4i h LEU 190 CO 0.02 0.57 -0.46 0.71 0.09 0.00 0.00 178.44 179.37 1d4i h THR 191 N 0.84 1.33 0.00 0.22 1.35 -1.49 -1.23 112.91 113.94 1d4i h THR 191 Ca 0.22 -1.60 -0.08 0.00 -0.55 0.00 0.00 66.41 64.40 1d4i h THR 191 Cb -0.03 1.83 -0.01 0.00 -1.73 0.00 0.00 68.15 68.21 1d4i h THR 191 CO -0.04 0.46 -0.37 1.56 -0.25 0.00 0.00 175.52 176.88 1d4i h GLN 192 N 0.06 0.00 -0.29 4.72 4.20 -1.39 -2.54 115.11 119.86 1d4i h GLN 192 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1d4i h GLN 192 Cb 0.84 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.62 1d4i h GLN 192 CO 0.06 0.37 0.00 0.44 -0.67 0.00 0.00 178.83 179.03 1d4i n ILE 193 N -3.98 0.37 -2.21 2.54 -5.35 -1.04 -4.95 119.36 104.74 1d4i n ILE 193 Ca -0.02 -0.59 -0.07 0.00 -0.27 0.00 0.00 62.75 61.80 1d4i n ILE 193 Cb 0.42 0.77 -0.00 0.00 -1.74 0.00 0.00 39.64 39.09 1d4i n ILE 193 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1d4i n GLY 194 N 1.36 0.10 3.72 3.28 0.00 -0.96 -5.01 105.19 107.69 1d4i n GLY 194 Ca 0.18 -0.56 -0.41 0.00 0.00 0.00 0.00 46.02 45.23 1d4i n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d4i s THR 196 N 0.34 0.94 -0.15 0.00 -4.23 -1.26 -4.70 115.64 106.58 1d4i s THR 196 Ca 0.49 -2.01 -0.08 0.00 -1.18 0.00 0.00 61.69 58.91 1d4i s THR 196 Cb -0.23 -1.88 -0.04 0.00 1.34 0.00 0.00 72.50 71.69 1d4i s THR 196 CO 0.29 -0.71 0.12 -0.76 -0.54 0.00 0.00 174.62 173.03 1d4i s LEU 197 N -3.14 4.23 0.02 4.79 1.43 -1.26 -5.10 118.68 119.65 1d4i s LEU 197 Ca 0.17 0.34 0.02 0.00 -1.03 0.00 0.00 54.13 53.63 1d4i s LEU 197 Cb 0.04 -2.05 -0.01 0.00 0.03 0.00 0.00 46.19 44.20 1d4i s LEU 197 CO 0.00 0.32 -0.06 0.20 0.23 0.00 0.00 176.35 177.04 1d4i s ASN 198 N -0.47 0.66 0.00 2.29 0.01 -1.26 -5.30 114.94 110.88 1d4i s ASN 198 Ca 0.12 -0.28 0.00 0.00 -0.71 0.00 0.00 52.86 51.98 1d4i s ASN 198 Cb -0.12 -0.02 0.00 0.00 0.41 0.00 0.00 41.25 41.53 1d4i s ASN 198 CO 0.02 -0.06 0.00 2.22 -1.51 0.00 0.00 177.10 177.77