#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k1u s GLN 102 N 0.00 4.00 -0.13 0.54 0.74 -1.26 -5.09 119.66 118.46 1k1u s GLN 102 Ca 0.00 -0.26 0.01 0.00 0.05 0.00 0.00 55.36 55.17 1k1u s GLN 102 Cb 0.00 -3.31 0.02 0.00 1.10 0.00 0.00 33.01 30.82 1k1u s GLN 102 CO 0.00 0.36 -0.16 0.42 -0.55 0.00 0.00 175.29 175.36 1k1u s ILE 103 N 0.17 1.66 0.80 -2.34 1.01 -1.26 -5.13 121.20 116.11 1k1u s ILE 103 Ca 0.07 -0.71 -0.10 0.00 0.00 0.00 0.00 60.65 59.91 1k1u s ILE 103 Cb -0.12 -1.52 0.10 0.00 0.01 0.00 0.00 42.46 40.94 1k1u s ILE 103 CO -0.01 0.47 1.13 0.42 0.00 0.00 0.00 174.94 176.96 1k1u s THR 104 N 1.17 2.12 -0.16 2.92 -4.23 -1.26 -5.03 115.64 111.17 1k1u s THR 104 Ca -0.01 -0.15 0.17 0.00 -1.18 0.00 0.00 61.69 60.51 1k1u s THR 104 Cb -0.14 -2.96 0.41 0.00 1.34 0.00 0.00 72.50 71.15 1k1u s THR 104 CO -0.06 0.00 1.29 0.18 -0.54 0.00 0.00 174.62 175.49 1k1u n LEU 105 N -3.23 3.13 0.27 4.79 4.77 -1.26 -4.55 117.00 120.93 1k1u n LEU 105 Ca 0.10 -3.11 0.14 0.00 -0.03 0.00 0.00 56.01 53.12 1k1u n LEU 105 Cb 0.60 -0.49 0.75 0.00 -2.33 0.00 0.00 43.42 41.95 1k1u n LEU 105 CO 0.51 0.73 0.98 -0.50 -1.33 0.00 0.00 177.39 177.79 1k1u h TRP 106 N 0.89 0.00 -2.49 -1.77 4.06 -2.07 -3.43 115.95 111.14 1k1u h TRP 106 Ca 0.01 0.00 -0.52 0.00 2.06 0.00 0.00 58.89 60.44 1k1u h TRP 106 Cb 1.23 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.25 1k1u h TRP 106 CO 0.29 0.10 -0.65 0.15 -3.56 0.00 0.00 178.44 174.77 1k1u s LYS 107 N -4.04 1.66 0.36 0.49 1.02 -1.26 -5.10 119.74 112.87 1k1u s LYS 107 Ca -0.02 -1.88 -0.28 0.00 0.02 0.00 0.00 55.97 53.81 1k1u s LYS 107 Cb 0.12 -1.20 -0.11 0.00 -0.52 0.00 0.00 37.83 36.12 1k1u s LYS 107 CO 0.56 -0.02 1.50 0.54 -0.92 0.00 0.00 175.35 177.01 1k1u n ARG 108 N -0.69 2.65 -2.34 1.68 1.74 -1.26 -4.85 116.66 113.60 1k1u n ARG 108 Ca -0.04 0.93 -0.43 0.00 -0.77 0.00 0.00 57.85 57.54 1k1u n ARG 108 Cb 0.65 -2.66 -0.00 0.00 -1.02 0.00 0.00 32.46 29.42 1k1u n ARG 108 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1k1u n PRO 109 N 0.78 3.09 -3.33 5.56 -0.04 -1.26 -4.94 135.00 134.86 1k1u n PRO 109 Ca 0.03 -3.08 -0.38 0.00 -0.04 0.00 0.00 63.50 60.03 1k1u n PRO 109 Cb 0.38 -3.44 -0.06 0.00 -0.04 0.00 0.00 33.50 30.34 1k1u n PRO 109 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1k1u s LEU 110 N 3.68 4.37 0.19 1.53 1.43 -1.26 -1.06 118.68 127.55 1k1u s LEU 110 Ca 0.52 0.95 0.03 0.00 -1.03 0.00 0.00 54.13 54.59 1k1u s LEU 110 Cb 0.07 -2.73 -0.05 0.00 0.03 0.00 0.00 46.19 43.51 1k1u s LEU 110 CO 0.03 0.11 -0.01 0.68 0.23 0.00 0.00 176.35 177.40 1k1u s VAL 111 N -0.04 0.82 0.02 -1.59 -7.23 0.27 -4.95 120.40 107.71 1k1u s VAL 111 Ca 0.27 -2.00 -0.22 0.00 -1.81 0.00 0.00 61.98 58.21 1k1u s VAL 111 Cb -0.16 -2.16 -0.06 0.00 0.56 0.00 0.00 36.38 34.57 1k1u s VAL 111 CO 0.13 -0.46 0.67 -0.89 -0.31 0.00 0.00 175.10 174.24 1k1u s THR 112 N -3.56 4.81 0.30 5.32 2.01 -1.26 -0.88 115.64 122.38 1k1u s THR 112 Ca 0.24 1.42 0.09 0.00 0.31 0.00 0.00 61.69 63.75 1k1u s THR 112 Cb 0.06 -4.01 -0.06 0.00 0.01 0.00 0.00 72.50 68.50 1k1u s THR 112 CO 0.05 0.40 -0.11 0.27 -0.69 0.00 0.00 174.62 174.54 1k1u s ILE 113 N -0.20 2.04 -0.11 1.82 -4.36 0.11 -1.35 121.20 119.15 1k1u s ILE 113 Ca 0.34 -2.22 -0.00 0.00 -0.26 0.00 0.00 60.65 58.51 1k1u s ILE 113 Cb -0.19 -2.45 0.02 0.00 1.25 0.00 0.00 42.46 41.09 1k1u s ILE 113 CO 0.20 -0.32 -0.07 -0.75 0.24 0.00 0.00 174.94 174.24 1k1u s LYS 114 N -3.63 1.44 -0.03 0.37 2.20 -0.61 -1.02 119.74 118.46 1k1u s LYS 114 Ca 0.30 -0.23 -0.01 0.00 -0.36 0.00 0.00 55.97 55.68 1k1u s LYS 114 Cb 0.01 -1.52 0.03 0.00 -1.51 0.00 0.00 37.83 34.84 1k1u s LYS 114 CO 0.14 -0.26 0.06 -1.50 -0.36 0.00 0.00 175.35 173.43 1k1u s ILE 115 N 1.69 -0.06 -2.08 5.43 2.07 -0.25 -1.37 121.20 126.63 1k1u s ILE 115 Ca 0.04 0.22 0.00 0.00 -1.41 0.00 0.00 60.65 59.50 1k1u s ILE 115 Cb -0.13 -0.13 0.00 0.00 0.13 0.00 0.00 42.46 42.33 1k1u s ILE 115 CO -0.07 0.09 0.00 0.61 -1.91 0.00 0.00 174.94 173.65 1k1u n GLY 116 N 4.25 1.23 2.46 1.50 0.00 -1.26 -1.37 105.19 112.00 1k1u n GLY 116 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1k1u n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k1u n GLY 117 N -0.58 0.52 3.76 -0.02 0.00 -1.26 -5.00 105.19 102.61 1k1u n GLY 117 Ca -0.22 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.44 1k1u n GLY 117 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1k1u s GLN 118 N -0.33 3.43 0.16 1.61 0.74 -0.47 -5.09 119.66 119.71 1k1u s GLN 118 Ca 0.00 -0.26 -0.28 0.00 0.05 0.00 0.00 55.36 54.86 1k1u s GLN 118 Cb 0.00 -3.07 -0.07 0.00 1.10 0.00 0.00 33.01 30.96 1k1u s GLN 118 CO 0.00 0.64 0.88 -0.51 -0.55 0.00 0.00 175.29 175.75 1k1u s LEU 119 N -0.66 4.57 0.08 3.68 1.43 -1.26 -1.09 118.68 125.43 1k1u s LEU 119 Ca 0.12 1.76 -0.05 0.00 -1.03 0.00 0.00 54.13 54.93 1k1u s LEU 119 Cb -0.12 -3.47 -0.02 0.00 0.03 0.00 0.00 46.19 42.61 1k1u s LEU 119 CO 0.02 0.09 0.09 -0.54 0.23 0.00 0.00 176.35 176.25 1k1u s LYS 120 N -0.70 0.77 -0.11 1.70 1.02 -0.19 -4.99 119.74 117.24 1k1u s LYS 120 Ca 0.41 -1.12 -0.05 0.00 0.02 0.00 0.00 55.97 55.23 1k1u s LYS 120 Cb -0.24 0.28 -0.04 0.00 -0.52 0.00 0.00 37.83 37.32 1k1u s LYS 120 CO 0.29 -0.21 0.07 -2.00 -0.92 0.00 0.00 175.35 172.58 1k1u s GLU 121 N -3.91 3.25 0.06 1.68 2.12 -1.26 0.09 118.70 120.73 1k1u s GLU 121 Ca 0.08 -0.27 -0.06 0.00 0.36 0.00 0.00 54.97 55.07 1k1u s GLU 121 Cb 0.06 -3.00 -0.01 0.00 0.26 0.00 0.00 34.13 31.44 1k1u s GLU 121 CO -0.09 0.72 0.12 0.00 -0.54 0.00 0.00 175.26 175.47 1k1u s ALA 122 N -0.88 -0.05 -0.23 6.30 0.00 -0.06 -4.51 121.76 122.33 1k1u s ALA 122 Ca 0.14 -0.69 -0.12 0.00 0.00 0.00 0.00 51.96 51.29 1k1u s ALA 122 Cb -0.12 0.36 -0.05 0.00 0.00 0.00 0.00 23.12 23.31 1k1u s ALA 122 CO 0.03 -0.42 0.21 -1.17 0.00 0.00 0.00 175.76 174.42 1k1u s LEU 123 N -2.60 4.13 -0.27 0.00 2.96 0.08 -0.57 118.68 122.41 1k1u s LEU 123 Ca 0.02 0.21 -0.29 0.00 -0.22 0.00 0.00 54.13 53.85 1k1u s LEU 123 Cb 0.03 -2.20 -0.01 0.00 0.50 0.00 0.00 46.19 44.52 1k1u s LEU 123 CO -0.08 0.04 1.36 -0.76 -1.32 0.00 0.00 176.35 175.58 1k1u s LEU 124 N 1.08 3.92 -0.42 -0.68 1.43 -0.23 -1.08 118.68 122.72 1k1u s LEU 124 Ca 0.10 1.35 0.04 0.00 -1.03 0.00 0.00 54.13 54.59 1k1u s LEU 124 Cb -0.14 -3.54 0.11 0.00 0.03 0.00 0.00 46.19 42.66 1k1u s LEU 124 CO 0.05 -1.07 0.14 -0.62 0.23 0.00 0.00 176.35 175.08 1k1u s ASP 125 N 2.95 4.56 0.28 2.29 -1.08 -0.08 -4.78 116.67 120.81 1k1u s ASP 125 Ca 0.59 -2.52 0.22 0.00 -0.52 0.00 0.00 52.55 50.32 1k1u s ASP 125 Cb -0.19 -1.62 1.04 0.00 -1.46 0.00 0.00 42.92 40.69 1k1u s ASP 125 CO 0.23 -0.32 1.66 0.35 0.52 0.00 0.00 175.17 177.62 1k1u n THR 126 N 3.77 0.96 0.93 1.71 -2.24 -1.26 -1.16 114.28 116.99 1k1u n THR 126 Ca 0.04 0.47 0.08 0.00 -2.27 0.00 0.00 64.05 62.38 1k1u n THR 126 Cb 0.38 -1.43 0.26 0.00 -2.10 0.00 0.00 70.33 67.43 1k1u n THR 126 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1k1u n GLY 127 N -0.64 0.64 3.45 3.38 0.00 -1.26 -4.83 105.19 105.93 1k1u n GLY 127 Ca 0.00 -0.43 -0.34 0.00 0.00 0.00 0.00 46.02 45.25 1k1u n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k1u s ALA 128 N -1.61 2.93 0.22 4.61 0.00 -0.31 -4.97 121.76 122.63 1k1u s ALA 128 Ca 0.29 -0.90 -0.06 0.00 0.00 0.00 0.00 51.96 51.29 1k1u s ALA 128 Cb 0.15 -1.57 0.18 0.00 0.00 0.00 0.00 23.12 21.89 1k1u s ALA 128 CO 0.22 0.07 1.68 -0.44 0.00 0.00 0.00 175.76 177.28 1k1u h ASP 129 N 7.03 0.90 -1.44 0.00 3.32 -1.88 0.20 116.42 124.55 1k1u h ASP 129 Ca -0.32 -0.26 -0.63 0.00 0.02 0.00 0.00 57.03 55.84 1k1u h ASP 129 Cb 1.19 -0.24 -0.13 0.00 0.22 0.00 0.00 39.33 40.37 1k1u h ASP 129 CO 0.61 0.99 -0.57 -1.81 -1.72 0.00 0.00 179.24 176.74 1k1u s ASP 130 N -6.64 3.76 -0.19 6.45 1.01 -1.26 -2.37 116.67 117.43 1k1u s ASP 130 Ca -0.10 -1.49 -0.04 0.00 0.71 0.00 0.00 52.55 51.63 1k1u s ASP 130 Cb 0.14 0.01 -0.02 0.00 1.01 0.00 0.00 42.92 44.06 1k1u s ASP 130 CO 0.84 -0.64 -0.03 -0.89 0.21 0.00 0.00 175.17 174.66 1k1u s THR 131 N -2.85 3.75 -0.11 -1.27 2.01 -1.26 -2.86 115.64 113.04 1k1u s THR 131 Ca 0.24 -0.39 -0.01 0.00 0.31 0.00 0.00 61.69 61.85 1k1u s THR 131 Cb 0.06 -2.68 0.03 0.00 0.01 0.00 0.00 72.50 69.93 1k1u s THR 131 CO 0.12 0.45 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.77 1k1u s VAL 132 N 0.88 0.85 0.05 3.82 1.01 -0.25 -0.20 120.40 126.55 1k1u s VAL 132 Ca -0.00 -0.25 0.05 0.00 0.00 0.00 0.00 61.98 61.78 1k1u s VAL 132 Cb -0.14 -0.95 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 1k1u s VAL 132 CO 0.02 0.28 -0.07 -0.63 0.00 0.00 0.00 175.10 174.69 1k1u s ILE 133 N 1.77 3.60 0.90 2.22 -1.09 0.81 -0.94 121.20 128.47 1k1u s ILE 133 Ca 0.04 -0.96 -0.10 0.00 -2.23 0.00 0.00 60.65 57.40 1k1u s ILE 133 Cb -0.13 -2.62 0.14 0.00 -1.58 0.00 0.00 42.46 38.27 1k1u s ILE 133 CO -0.07 0.27 1.14 -1.83 -1.23 0.00 0.00 174.94 173.22 1k1u s GLU 134 N -1.78 1.13 0.18 2.79 -1.05 -1.26 -1.02 118.70 117.70 1k1u s GLU 134 Ca 0.20 1.53 -0.33 0.00 -0.15 0.00 0.00 54.97 56.21 1k1u s GLU 134 Cb -0.11 -1.74 -0.15 0.00 -0.44 0.00 0.00 34.13 31.69 1k1u s GLU 134 CO 0.11 -2.55 1.31 0.39 0.95 0.00 0.00 175.26 175.48 1k1u n GLU 135 N -4.16 1.55 -3.43 -4.83 1.02 -1.19 -4.51 120.64 105.10 1k1u n GLU 135 Ca 0.12 0.55 -0.12 0.00 -0.02 0.00 0.00 57.16 57.69 1k1u n GLU 135 Cb 0.52 -2.15 -0.02 0.00 -0.02 0.00 0.00 31.44 29.76 1k1u n GLU 135 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1k1u s MET 136 N -0.11 1.26 -0.06 3.49 0.23 -1.26 -5.01 119.30 117.84 1k1u s MET 136 Ca 0.74 -0.43 -0.30 0.00 -1.03 0.00 0.00 55.69 54.67 1k1u s MET 136 Cb -0.78 0.58 -0.03 0.00 -1.53 0.00 0.00 34.83 33.07 1k1u s MET 136 CO 0.49 -0.54 1.11 -1.12 -2.03 0.00 0.00 175.02 172.93 1k1u s SER 137 N -2.65 7.15 -0.05 -1.18 0.01 -1.26 -5.04 113.70 110.69 1k1u s SER 137 Ca 0.00 1.72 -0.01 0.00 1.31 0.00 0.00 55.95 58.97 1k1u s SER 137 Cb -0.01 -2.56 0.03 0.00 0.21 0.00 0.00 66.02 63.69 1k1u s SER 137 CO -0.11 -0.50 0.01 -0.22 0.41 0.00 0.00 173.24 172.83 1k1u s LEU 138 N 1.93 0.73 0.30 2.44 2.96 -1.26 -4.98 118.68 120.80 1k1u s LEU 138 Ca 0.53 -0.03 -0.30 0.00 -0.22 0.00 0.00 54.13 54.11 1k1u s LEU 138 Cb -0.22 -0.31 -0.11 0.00 0.50 0.00 0.00 46.19 46.04 1k1u s LEU 138 CO 0.22 -0.17 1.59 -2.84 -1.32 0.00 0.00 176.35 173.83 1k1u s PRO 139 N 1.64 4.11 0.00 0.98 0.02 -1.26 -4.87 135.00 135.62 1k1u s PRO 139 Ca -0.01 2.59 0.00 0.00 0.02 0.00 0.00 61.00 63.60 1k1u s PRO 139 Cb -0.13 -3.01 0.00 0.00 0.02 0.00 0.00 34.50 31.38 1k1u s PRO 139 CO -0.03 -0.63 0.00 0.41 -0.33 0.00 0.00 177.00 176.41 1k1u n GLY 140 N 2.00 3.06 3.83 0.52 0.00 -1.26 -5.05 105.19 108.29 1k1u n GLY 140 Ca 0.08 -1.96 -0.34 0.00 0.00 0.00 0.00 46.02 43.80 1k1u n GLY 140 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1k1u s ARG 141 N -2.36 4.17 0.05 1.61 0.52 -1.26 -5.09 118.95 116.59 1k1u s ARG 141 Ca 0.00 0.91 -0.01 0.00 -0.52 0.00 0.00 55.73 56.12 1k1u s ARG 141 Cb 0.00 -2.44 -0.04 0.00 0.52 0.00 0.00 34.95 32.99 1k1u s ARG 141 CO 0.00 0.14 -0.03 1.67 0.02 0.00 0.00 175.30 177.09 1k1u s TRP 142 N -1.95 0.52 -0.02 -0.53 1.48 -1.26 -4.34 118.94 112.84 1k1u s TRP 142 Ca 0.55 -0.98 0.04 0.00 -1.06 0.00 0.00 56.10 54.65 1k1u s TRP 142 Cb -0.11 -0.37 -0.01 0.00 -1.16 0.00 0.00 33.47 31.82 1k1u s TRP 142 CO 0.17 -0.33 -0.12 -1.59 -4.06 0.00 0.00 176.95 171.02 1k1u s LYS 143 N -3.54 1.05 0.20 3.25 -2.85 -0.42 -4.91 119.74 112.51 1k1u s LYS 143 Ca 0.04 -0.42 -0.30 0.00 -1.00 0.00 0.00 55.97 54.29 1k1u s LYS 143 Cb 0.05 -0.99 -0.08 0.00 -2.06 0.00 0.00 37.83 34.74 1k1u s LYS 143 CO -0.08 0.23 1.22 -1.25 0.10 0.00 0.00 175.35 175.56 1k1u s PRO 144 N -0.16 4.48 0.23 1.78 0.04 -1.26 -0.63 135.00 139.49 1k1u s PRO 144 Ca 0.02 1.92 -0.08 0.00 0.04 0.00 0.00 61.00 62.91 1k1u s PRO 144 Cb -0.06 -3.22 -0.02 0.00 0.04 0.00 0.00 34.50 31.24 1k1u s PRO 144 CO -0.00 -0.10 0.34 0.96 0.04 0.00 0.00 177.00 178.24 1k1u s ILE 145 N -0.16 0.00 -0.07 0.56 -4.36 -0.65 -4.92 121.20 111.60 1k1u s ILE 145 Ca 0.53 -1.65 0.02 0.00 -0.26 0.00 0.00 60.65 59.29 1k1u s ILE 145 Cb -0.34 -2.34 -0.02 0.00 1.25 0.00 0.00 42.46 41.01 1k1u s ILE 145 CO 0.38 0.00 -0.13 -0.04 0.24 0.00 0.00 174.94 175.39 1k1u s MET 146 N -4.02 2.77 0.15 0.37 -1.94 -1.26 -1.04 119.30 114.32 1k1u s MET 146 Ca 0.29 -0.67 0.06 0.00 -1.71 0.00 0.00 55.69 53.66 1k1u s MET 146 Cb 0.02 -2.47 -0.04 0.00 2.01 0.00 0.00 34.83 34.35 1k1u s MET 146 CO 0.11 0.52 -0.14 0.96 -0.01 0.00 0.00 175.02 176.46 1k1u s ILE 147 N -0.45 1.41 0.14 2.53 -4.36 -0.52 -4.96 121.20 114.99 1k1u s ILE 147 Ca 0.06 -1.90 0.05 0.00 -0.26 0.00 0.00 60.65 58.59 1k1u s ILE 147 Cb -0.12 -1.72 -0.04 0.00 1.25 0.00 0.00 42.46 41.83 1k1u s ILE 147 CO 0.02 -0.52 -0.11 -0.83 0.24 0.00 0.00 174.94 173.75 1k1u s GLY 148 N -2.79 1.06 0.00 6.27 0.00 -1.26 -0.33 107.32 110.28 1k1u s GLY 148 Ca 0.14 -1.45 0.00 0.00 0.00 0.00 0.00 44.72 43.41 1k1u s GLY 148 CO 0.03 -1.54 0.00 0.61 0.00 0.00 0.00 173.10 172.20 1k1u n GLY 149 N -0.05 4.42 3.75 0.20 0.00 -0.29 -4.99 105.19 108.24 1k1u n GLY 149 Ca -0.11 -0.72 -0.41 0.00 0.00 0.00 0.00 46.02 44.77 1k1u n GLY 149 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1k1u s ILE 150 N 0.17 2.57 0.00 -0.61 1.09 -1.26 -2.90 121.20 120.26 1k1u s ILE 150 Ca 0.00 0.49 0.00 0.00 -1.10 0.00 0.00 60.65 60.04 1k1u s ILE 150 Cb 0.00 -3.31 0.00 0.00 -1.06 0.00 0.00 42.46 38.09 1k1u s ILE 150 CO 0.00 0.08 0.00 0.61 -0.10 0.00 0.00 174.94 175.53 1k1u n GLY 151 N 1.96 3.20 0.00 6.18 0.00 -1.26 -4.94 105.19 110.33 1k1u n GLY 151 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1k1u n GLY 151 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k1u n GLY 152 N -1.34 0.80 3.70 -0.02 0.00 -1.14 -5.08 105.19 102.11 1k1u n GLY 152 Ca 0.00 -1.99 -0.32 0.00 0.00 0.00 0.00 46.02 43.71 1k1u n GLY 152 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1k1u s PHE 153 N -2.02 3.09 0.17 1.61 0.40 -1.26 -1.14 117.98 118.83 1k1u s PHE 153 Ca 0.00 0.07 0.01 0.00 -0.60 0.00 0.00 56.93 56.42 1k1u s PHE 153 Cb 0.00 -1.65 -0.05 0.00 0.51 0.00 0.00 43.02 41.84 1k1u s PHE 153 CO 0.00 0.48 0.02 0.96 0.70 0.00 0.00 175.22 177.38 1k1u s ILE 154 N -1.17 0.56 -0.09 0.64 -4.36 0.55 -4.96 121.20 112.37 1k1u s ILE 154 Ca 0.22 -1.97 -0.18 0.00 -0.26 0.00 0.00 60.65 58.46 1k1u s ILE 154 Cb -0.12 -2.13 -0.04 0.00 1.25 0.00 0.00 42.46 41.42 1k1u s ILE 154 CO 0.13 -0.45 0.49 -0.54 0.24 0.00 0.00 174.94 174.81 1k1u s LYS 155 N -3.95 4.30 0.17 0.37 1.02 -1.26 -1.44 119.74 118.95 1k1u s LYS 155 Ca 0.25 0.50 0.01 0.00 0.02 0.00 0.00 55.97 56.74 1k1u s LYS 155 Cb 0.06 -3.40 -0.04 0.00 -0.52 0.00 0.00 37.83 33.93 1k1u s LYS 155 CO 0.04 0.24 0.04 0.14 -0.92 0.00 0.00 175.35 174.89 1k1u s VAL 156 N 0.34 0.41 -0.25 3.17 -7.23 -0.21 -4.46 120.40 112.18 1k1u s VAL 156 Ca 0.27 -1.96 -0.12 0.00 -1.81 0.00 0.00 61.98 58.36 1k1u s VAL 156 Cb -0.16 -2.18 -0.05 0.00 0.56 0.00 0.00 36.38 34.56 1k1u s VAL 156 CO 0.12 -0.38 0.25 -0.13 -0.31 0.00 0.00 175.10 174.65 1k1u s ARG 157 N -3.99 4.05 -0.23 4.82 0.52 0.47 -1.64 118.95 122.95 1k1u s ARG 157 Ca 0.27 -0.14 -0.17 0.00 -0.52 0.00 0.00 55.73 55.17 1k1u s ARG 157 Cb 0.07 -3.59 -0.03 0.00 0.52 0.00 0.00 34.95 31.92 1k1u s ARG 157 CO 0.05 -0.07 0.44 -1.14 0.02 0.00 0.00 175.30 174.60 1k1u s GLN 158 N 1.44 4.12 -0.14 3.54 0.74 0.20 -0.60 119.66 128.97 1k1u s GLN 158 Ca 0.11 0.24 -0.02 0.00 0.05 0.00 0.00 55.36 55.74 1k1u s GLN 158 Cb -0.15 -3.59 -0.02 0.00 1.10 0.00 0.00 33.01 30.35 1k1u s GLN 158 CO 0.08 -0.18 -0.08 0.71 -0.55 0.00 0.00 175.29 175.26 1k1u s TYR 159 N 1.75 2.92 0.29 1.67 1.51 -0.26 -1.30 117.35 123.93 1k1u s TYR 159 Ca 0.20 -0.44 0.07 0.00 -1.01 0.00 0.00 57.07 55.88 1k1u s TYR 159 Cb -0.15 -1.89 -0.03 0.00 -0.11 0.00 0.00 41.96 39.78 1k1u s TYR 159 CO 0.09 -0.10 0.30 -0.51 -1.11 0.00 0.00 175.55 174.22 1k1u s ASP 160 N 0.30 5.67 -1.55 2.29 1.01 -1.26 -0.72 116.67 122.40 1k1u s ASP 160 Ca -0.07 -0.26 -0.14 0.00 0.71 0.00 0.00 52.55 52.80 1k1u s ASP 160 Cb -0.15 -1.33 0.09 0.00 1.01 0.00 0.00 42.92 42.55 1k1u s ASP 160 CO 0.04 -0.20 0.95 0.00 0.21 0.00 0.00 175.17 176.17 1k1u n GLN 161 N -1.35 -5.19 -3.08 8.23 6.02 -1.10 -4.91 117.38 116.00 1k1u n GLN 161 Ca -0.05 0.57 -0.40 0.00 -0.01 0.00 0.00 57.00 57.11 1k1u n GLN 161 Cb 0.58 -5.42 -0.05 0.00 1.02 0.00 0.00 30.24 26.37 1k1u n GLN 161 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1k1u s ILE 162 N -3.32 5.06 -0.06 5.09 -1.09 -0.21 -4.71 121.20 121.96 1k1u s ILE 162 Ca 0.65 1.38 -0.30 0.00 -2.23 0.00 0.00 60.65 60.16 1k1u s ILE 162 Cb -0.33 -4.01 -0.03 0.00 -1.58 0.00 0.00 42.46 36.51 1k1u s ILE 162 CO 0.84 0.25 1.16 -0.63 -1.23 0.00 0.00 174.94 175.34 1k1u s ILE 163 N 0.84 4.36 -0.09 2.92 1.01 -1.26 -1.57 121.20 127.41 1k1u s ILE 163 Ca 0.36 1.67 -0.06 0.00 0.00 0.00 0.00 60.65 62.62 1k1u s ILE 163 Cb -0.17 -4.07 0.03 0.00 0.01 0.00 0.00 42.46 38.25 1k1u s ILE 163 CO 0.17 0.00 0.22 -0.51 0.00 0.00 0.00 174.94 174.82 1k1u s ILE 164 N 2.16 -0.02 -0.16 2.92 2.07 0.07 -4.38 121.20 123.86 1k1u s ILE 164 Ca 0.54 0.07 -0.06 0.00 -1.41 0.00 0.00 60.65 59.79 1k1u s ILE 164 Cb -0.23 -0.32 -0.04 0.00 0.13 0.00 0.00 42.46 41.99 1k1u s ILE 164 CO 0.21 0.03 0.07 -0.70 -1.91 0.00 0.00 174.94 172.64 1k1u s GLU 165 N 0.61 3.73 -0.22 3.50 2.12 -0.47 -1.11 118.70 126.85 1k1u s GLU 165 Ca -0.04 -0.31 0.00 0.00 0.36 0.00 0.00 54.97 54.98 1k1u s GLU 165 Cb -0.05 -3.15 0.06 0.00 0.26 0.00 0.00 34.13 31.25 1k1u s GLU 165 CO -0.03 0.44 -0.05 0.42 -0.54 0.00 0.00 175.26 175.49 1k1u s ILE 166 N -0.09 1.42 -1.56 -3.70 1.01 0.14 -1.57 121.20 116.85 1k1u s ILE 166 Ca 0.07 -1.11 -0.13 0.00 0.00 0.00 0.00 60.65 59.48 1k1u s ILE 166 Cb -0.12 -1.69 0.10 0.00 0.01 0.00 0.00 42.46 40.76 1k1u s ILE 166 CO 0.01 -0.08 0.83 0.00 0.00 0.00 0.00 174.94 175.70 1k1u n ALA 167 N 4.72 -1.41 -0.98 9.38 0.00 -0.46 -0.84 120.51 130.91 1k1u n ALA 167 Ca -0.12 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1k1u n ALA 167 Cb 0.45 -3.61 0.00 0.00 0.00 0.00 0.00 19.45 16.29 1k1u n ALA 167 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k1u n GLY 168 N -1.62 0.58 3.74 0.00 0.00 -1.26 -5.04 105.19 101.59 1k1u n GLY 168 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 1k1u n GLY 168 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1k1u s HIS 169 N -2.42 3.34 0.04 1.61 4.02 -0.02 -5.11 115.29 116.75 1k1u s HIS 169 Ca 0.00 0.27 -0.26 0.00 1.02 0.00 0.00 55.06 56.10 1k1u s HIS 169 Cb 0.00 -1.92 -0.05 0.00 -1.02 0.00 0.00 32.58 29.58 1k1u s HIS 169 CO 0.00 0.47 0.79 0.15 1.02 0.00 0.00 174.74 177.17 1k1u s LYS 170 N -0.57 4.52 0.05 1.40 1.02 -1.26 0.26 119.74 125.16 1k1u s LYS 170 Ca 0.11 1.11 0.03 0.00 0.02 0.00 0.00 55.97 57.24 1k1u s LYS 170 Cb -0.12 -3.38 -0.03 0.00 -0.52 0.00 0.00 37.83 33.78 1k1u s LYS 170 CO 0.02 0.23 -0.09 0.00 -0.92 0.00 0.00 175.35 174.59 1k1u s ALA 171 N 0.13 0.69 -0.13 5.17 0.00 -0.26 -4.64 121.76 122.72 1k1u s ALA 171 Ca 0.40 -0.85 -0.04 0.00 0.00 0.00 0.00 51.96 51.47 1k1u s ALA 171 Cb -0.20 0.04 0.05 0.00 0.00 0.00 0.00 23.12 23.00 1k1u s ALA 171 CO 0.23 -0.02 0.07 0.42 0.00 0.00 0.00 175.76 176.47 1k1u s ILE 172 N -1.58 -0.01 0.00 0.00 1.01 -1.26 -0.75 121.20 118.61 1k1u s ILE 172 Ca -0.07 -0.00 0.00 0.00 0.00 0.00 0.00 60.65 60.58 1k1u s ILE 172 Cb -0.09 -0.48 0.00 0.00 0.01 0.00 0.00 42.46 41.90 1k1u s ILE 172 CO 0.00 -0.10 0.00 0.61 0.00 0.00 0.00 174.94 175.45 1k1u n GLY 173 N 5.26 1.41 3.73 6.18 0.00 -0.61 -4.83 105.19 116.33 1k1u n GLY 173 Ca -0.06 -0.60 -0.40 0.00 0.00 0.00 0.00 46.02 44.96 1k1u n GLY 173 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k1u s THR 174 N -2.13 4.70 -0.08 2.61 2.01 -1.26 -1.04 115.64 120.45 1k1u s THR 174 Ca 0.00 1.78 0.01 0.00 0.31 0.00 0.00 61.69 63.80 1k1u s THR 174 Cb 0.00 -4.19 0.02 0.00 0.01 0.00 0.00 72.50 68.34 1k1u s THR 174 CO 0.00 0.32 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.45 1k1u s VAL 175 N 0.13 1.14 -0.09 3.82 1.01 0.10 -4.50 120.40 122.02 1k1u s VAL 175 Ca 0.42 -0.44 -0.11 0.00 0.00 0.00 0.00 61.98 61.85 1k1u s VAL 175 Cb -0.21 -1.08 -0.05 0.00 0.00 0.00 0.00 36.38 35.05 1k1u s VAL 175 CO 0.25 0.37 0.25 -0.76 0.00 0.00 0.00 175.10 175.20 1k1u s LEU 176 N 1.00 4.38 -0.11 3.92 1.43 0.72 -1.10 118.68 128.91 1k1u s LEU 176 Ca -0.08 0.61 0.02 0.00 -1.03 0.00 0.00 54.13 53.65 1k1u s LEU 176 Cb -0.15 -2.28 0.01 0.00 0.03 0.00 0.00 46.19 43.81 1k1u s LEU 176 CO -0.00 0.32 -0.18 -0.69 0.23 0.00 0.00 176.35 176.03 1k1u s VAL 177 N -0.72 1.68 -0.48 -1.59 1.01 0.23 -0.14 120.40 120.39 1k1u s VAL 177 Ca 0.17 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.40 1k1u s VAL 177 Cb -0.14 -1.51 0.00 0.00 0.00 0.00 0.00 36.38 34.74 1k1u s VAL 177 CO 0.06 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.25 1k1u n GLY 178 N 4.10 -1.26 2.47 4.51 0.00 -0.19 -0.40 105.19 114.42 1k1u n GLY 178 Ca -0.19 -0.87 -0.28 0.00 0.00 0.00 0.00 46.02 44.68 1k1u n GLY 178 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1k1u n PRO 179 N -0.01 2.72 -2.87 1.61 -0.04 -1.26 -3.14 135.00 132.01 1k1u n PRO 179 Ca 0.00 -1.73 -0.37 0.00 -0.04 0.00 0.00 63.50 61.37 1k1u n PRO 179 Cb 0.00 -2.57 -0.06 0.00 -0.04 0.00 0.00 33.50 30.83 1k1u n PRO 179 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1k1u s THR 180 N 2.81 4.32 0.41 0.52 -1.32 -1.26 -4.98 115.64 116.14 1k1u s THR 180 Ca 0.52 1.66 0.09 0.00 -1.21 0.00 0.00 61.69 62.75 1k1u s THR 180 Cb 0.14 -3.95 0.23 0.00 -1.51 0.00 0.00 72.50 67.41 1k1u s THR 180 CO -0.04 0.13 2.02 1.55 -2.21 0.00 0.00 174.62 176.07 1k1u h PRO 181 N 3.17 0.39 -3.99 7.08 0.13 -1.98 -3.45 132.00 133.36 1k1u h PRO 181 Ca -0.47 -0.04 -0.12 0.00 -0.87 0.00 0.00 66.00 64.50 1k1u h PRO 181 Cb 1.19 -0.08 -0.16 0.00 0.13 0.00 0.00 31.00 32.09 1k1u h PRO 181 CO 0.65 0.33 -0.56 0.14 -0.23 0.00 0.00 178.00 178.33 1k1u s VAL 182 N -5.20 0.17 0.17 1.56 -7.23 -1.26 -5.10 120.40 103.51 1k1u s VAL 182 Ca -0.07 -1.40 -0.31 0.00 -1.81 0.00 0.00 61.98 58.39 1k1u s VAL 182 Cb 0.17 -1.23 -0.09 0.00 0.56 0.00 0.00 36.38 35.78 1k1u s VAL 182 CO 0.73 -0.77 1.47 0.20 -0.31 0.00 0.00 175.10 176.42 1k1u s ASN 183 N -2.61 6.69 -0.07 4.85 0.01 -1.26 -4.78 114.94 117.78 1k1u s ASN 183 Ca 0.02 2.52 0.02 0.00 -0.71 0.00 0.00 52.86 54.71 1k1u s ASN 183 Cb 0.04 -2.60 0.01 0.00 0.41 0.00 0.00 41.25 39.11 1k1u s ASN 183 CO -0.08 -0.73 -0.11 -0.63 -1.51 0.00 0.00 177.10 174.04 1k1u s ILE 184 N 0.85 1.07 -0.29 0.60 1.01 -0.11 -0.74 121.20 123.58 1k1u s ILE 184 Ca 0.65 -0.43 -0.13 0.00 0.00 0.00 0.00 60.65 60.74 1k1u s ILE 184 Cb -0.41 -0.99 -0.04 0.00 0.01 0.00 0.00 42.46 41.04 1k1u s ILE 184 CO 0.34 0.34 0.29 -0.63 0.00 0.00 0.00 174.94 175.28 1k1u s ILE 185 N 0.74 5.23 0.26 2.92 -1.09 -0.24 -1.09 121.20 127.94 1k1u s ILE 185 Ca -0.13 0.28 0.04 0.00 -2.23 0.00 0.00 60.65 58.60 1k1u s ILE 185 Cb -0.15 -3.65 0.04 0.00 -1.58 0.00 0.00 42.46 37.11 1k1u s ILE 185 CO 0.03 0.14 0.31 0.61 -1.23 0.00 0.00 174.94 174.79 1k1u n GLY 186 N 4.90 2.29 0.26 6.18 0.00 -1.14 -0.90 105.19 116.79 1k1u n GLY 186 Ca -0.11 -2.19 0.05 0.00 0.00 0.00 0.00 46.02 43.77 1k1u n GLY 186 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1k1u h ARG 187 N 0.00 0.21 -0.59 1.61 3.08 -0.96 -0.51 114.38 117.23 1k1u h ARG 187 Ca -0.14 -0.03 0.07 0.00 0.07 0.00 0.00 59.98 59.95 1k1u h ARG 187 Cb 0.58 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.55 1k1u h ARG 187 CO 0.20 0.23 0.39 -2.95 -1.07 0.00 0.00 179.97 176.77 1k1u h ASN 188 N 0.21 0.47 0.00 7.04 -1.07 -1.72 -0.57 115.58 119.94 1k1u h ASN 188 Ca 0.05 0.00 -0.37 0.00 0.07 0.00 0.00 56.30 56.06 1k1u h ASN 188 Cb 0.13 -0.10 -0.07 0.00 -2.07 0.00 0.00 38.32 36.21 1k1u h ASN 188 CO 0.00 0.31 -2.38 0.18 0.07 0.00 0.00 177.43 175.61 1k1u n LEU 189 N -4.48 0.34 -0.29 6.14 4.77 -0.92 -4.15 117.00 118.41 1k1u n LEU 189 Ca 0.08 -0.02 0.05 0.00 -0.03 0.00 0.00 56.01 56.10 1k1u n LEU 189 Cb 0.25 0.34 0.27 0.00 -2.33 0.00 0.00 43.42 41.95 1k1u n LEU 189 CO 0.34 0.54 1.24 0.24 -1.33 0.00 0.00 177.39 178.43 1k1u h MET 190 N 0.00 0.93 -0.46 3.23 2.86 -0.85 -1.11 114.93 119.53 1k1u h MET 190 Ca -0.55 -0.06 -0.07 0.00 -2.06 0.00 0.00 59.70 56.97 1k1u h MET 190 Cb 2.19 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 33.62 1k1u h MET 190 CO 0.02 0.62 0.02 1.79 1.06 0.00 0.00 176.91 180.41 1k1u h THR 191 N 0.96 1.23 -0.54 2.22 1.35 -1.29 -1.98 112.91 114.86 1k1u h THR 191 Ca 0.40 -0.94 -0.00 0.00 -0.55 0.00 0.00 66.41 65.31 1k1u h THR 191 Cb 0.28 0.86 -0.03 0.00 -1.73 0.00 0.00 68.15 67.54 1k1u h THR 191 CO -0.16 0.33 0.32 1.56 -0.25 0.00 0.00 175.52 177.32 1k1u h GLN 192 N 0.70 0.73 -0.23 4.72 4.20 -1.37 -2.61 115.11 121.25 1k1u h GLN 192 Ca 0.14 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.79 1k1u h GLN 192 Cb 0.41 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.03 1k1u h GLN 192 CO 0.01 0.52 0.00 0.44 -0.67 0.00 0.00 178.83 179.13 1k1u n ILE 193 N -4.42 0.30 -1.56 2.54 -5.35 -0.99 -4.92 119.36 104.96 1k1u n ILE 193 Ca 0.05 -0.43 -0.02 0.00 -0.27 0.00 0.00 62.75 62.07 1k1u n ILE 193 Cb 0.08 0.45 -0.00 0.00 -1.74 0.00 0.00 39.64 38.42 1k1u n ILE 193 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1k1u n GLY 194 N 1.19 0.41 3.74 3.28 0.00 -0.98 -5.02 105.19 107.80 1k1u n GLY 194 Ca 0.16 -0.90 -0.41 0.00 0.00 0.00 0.00 46.02 44.88 1k1u n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k1u s ALA 195 N -2.09 3.42 0.14 4.61 0.00 -0.77 -5.04 121.76 122.03 1k1u s ALA 195 Ca 0.00 0.93 0.04 0.00 0.00 0.00 0.00 51.96 52.93 1k1u s ALA 195 Cb 0.00 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 19.68 1k1u s ALA 195 CO 0.00 -0.32 -0.10 0.95 0.00 0.00 0.00 175.76 176.29 1k1u s THR 196 N -0.24 1.13 -0.02 0.00 -4.23 -1.26 -4.70 115.64 106.31 1k1u s THR 196 Ca 0.51 -2.02 -0.13 0.00 -1.18 0.00 0.00 61.69 58.88 1k1u s THR 196 Cb -0.32 -1.80 -0.05 0.00 1.34 0.00 0.00 72.50 71.67 1k1u s THR 196 CO 0.37 -0.74 0.34 -0.76 -0.54 0.00 0.00 174.62 173.30 1k1u s LEU 197 N -3.10 4.45 -0.02 4.79 1.43 -1.26 -5.10 118.68 119.87 1k1u s LEU 197 Ca 0.15 0.84 -0.02 0.00 -1.03 0.00 0.00 54.13 54.07 1k1u s LEU 197 Cb 0.02 -2.49 0.01 0.00 0.03 0.00 0.00 46.19 43.76 1k1u s LEU 197 CO 0.00 0.34 0.06 0.20 0.23 0.00 0.00 176.35 177.18 1k1u s ASN 198 N -1.11 -0.06 0.00 2.29 0.01 -1.26 -5.29 114.94 109.53 1k1u s ASN 198 Ca 0.22 0.12 0.00 0.00 -0.71 0.00 0.00 52.86 52.49 1k1u s ASN 198 Cb -0.15 0.11 0.00 0.00 0.41 0.00 0.00 41.25 41.62 1k1u s ASN 198 CO 0.11 -0.03 0.00 2.22 -1.51 0.00 0.00 177.10 177.89