#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nnk s GLN 102 N 0.00 2.56 -0.22 0.54 0.74 -1.26 -5.11 119.66 116.91 2nnk s GLN 102 Ca 0.00 -1.14 -0.04 0.00 0.05 0.00 0.00 55.36 54.23 2nnk s GLN 102 Cb 0.00 -2.84 -0.01 0.00 1.10 0.00 0.00 33.01 31.26 2nnk s GLN 102 CO 0.00 -0.45 -0.03 0.42 -0.55 0.00 0.00 175.29 174.68 2nnk s ILE 103 N 1.20 3.44 0.83 -2.34 1.01 -1.26 -5.10 121.20 118.97 2nnk s ILE 103 Ca -0.03 -0.47 -0.12 0.00 0.00 0.00 0.00 60.65 60.02 2nnk s ILE 103 Cb -0.17 -2.57 0.09 0.00 0.01 0.00 0.00 42.46 39.82 2nnk s ILE 103 CO -0.07 0.41 1.19 0.42 0.00 0.00 0.00 174.94 176.90 2nnk s THR 104 N 1.49 2.00 -0.12 2.92 -4.23 -1.26 -5.03 115.64 111.41 2nnk s THR 104 Ca 0.06 0.00 0.16 0.00 -1.18 0.00 0.00 61.69 60.73 2nnk s THR 104 Cb -0.14 -2.99 0.26 0.00 1.34 0.00 0.00 72.50 70.97 2nnk s THR 104 CO -0.03 0.00 1.14 0.18 -0.54 0.00 0.00 174.62 175.38 2nnk n LEU 105 N -3.38 2.39 0.20 4.79 4.77 -1.26 -4.61 117.00 119.91 2nnk n LEU 105 Ca 0.09 -2.93 0.04 0.00 -0.03 0.00 0.00 56.01 53.18 2nnk n LEU 105 Cb 0.61 -0.37 0.42 0.00 -2.33 0.00 0.00 43.42 41.75 2nnk n LEU 105 CO 0.56 0.68 0.78 -0.50 -1.33 0.00 0.00 177.39 177.58 2nnk h TRP 106 N 0.12 0.00 -1.88 -1.77 4.06 -2.06 -3.43 115.95 110.98 2nnk h TRP 106 Ca 0.00 0.00 -0.60 0.00 2.06 0.00 0.00 58.89 60.35 2nnk h TRP 106 Cb 0.95 0.00 -0.12 0.00 -1.00 0.00 0.00 29.16 28.99 2nnk h TRP 106 CO 0.03 0.31 -0.63 0.15 -3.56 0.00 0.00 178.44 174.74 2nnk s LYS 107 N -4.23 1.98 0.32 0.49 1.02 -1.26 -5.11 119.74 112.96 2nnk s LYS 107 Ca -0.03 -1.86 -0.29 0.00 0.02 0.00 0.00 55.97 53.81 2nnk s LYS 107 Cb 0.14 -1.83 -0.11 0.00 -0.52 0.00 0.00 37.83 35.52 2nnk s LYS 107 CO 0.70 0.11 1.55 1.03 -0.92 0.00 0.00 175.35 177.82 2nnk s ARG 108 N -3.69 4.13 -1.44 1.68 0.52 -1.26 -4.87 118.95 114.02 2nnk s ARG 108 Ca 0.34 2.56 -0.15 0.00 -0.52 0.00 0.00 55.73 57.96 2nnk s ARG 108 Cb 0.02 -3.01 0.04 0.00 0.52 0.00 0.00 34.95 32.52 2nnk s ARG 108 CO 0.18 -0.58 2.17 -0.35 0.02 0.00 0.00 175.30 176.74 2nnk n PRO 109 N 1.63 2.88 -3.27 3.54 -0.04 -1.26 -4.92 135.00 133.56 2nnk n PRO 109 Ca 0.06 -2.68 -0.38 0.00 -0.04 0.00 0.00 63.50 60.46 2nnk n PRO 109 Cb 0.38 -3.31 -0.06 0.00 -0.04 0.00 0.00 33.50 30.47 2nnk n PRO 109 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2nnk s LEU 110 N 2.44 4.36 0.20 1.53 1.43 -1.26 -1.22 118.68 126.16 2nnk s LEU 110 Ca 0.48 1.01 0.04 0.00 -1.03 0.00 0.00 54.13 54.63 2nnk s LEU 110 Cb 0.13 -2.81 -0.05 0.00 0.03 0.00 0.00 46.19 43.49 2nnk s LEU 110 CO -0.07 0.08 -0.04 0.68 0.23 0.00 0.00 176.35 177.22 2nnk s VAL 111 N 0.07 1.09 0.08 -1.59 -7.23 0.10 -4.94 120.40 107.98 2nnk s VAL 111 Ca 0.29 -2.05 -0.26 0.00 -1.81 0.00 0.00 61.98 58.15 2nnk s VAL 111 Cb -0.17 -2.14 -0.06 0.00 0.56 0.00 0.00 36.38 34.57 2nnk s VAL 111 CO 0.14 -0.49 0.81 -0.89 -0.31 0.00 0.00 175.10 174.36 2nnk s THR 112 N -3.38 4.63 0.26 5.32 2.01 -1.26 -0.96 115.64 122.25 2nnk s THR 112 Ca 0.24 1.74 0.12 0.00 0.31 0.00 0.00 61.69 64.09 2nnk s THR 112 Cb 0.04 -4.16 -0.05 0.00 0.01 0.00 0.00 72.50 68.34 2nnk s THR 112 CO 0.05 0.38 -0.19 0.27 -0.69 0.00 0.00 174.62 174.44 2nnk s ILE 113 N -0.20 2.56 -0.08 1.82 -4.36 0.65 -1.03 121.20 120.55 2nnk s ILE 113 Ca 0.40 -2.27 0.00 0.00 -0.26 0.00 0.00 60.65 58.52 2nnk s ILE 113 Cb -0.21 -2.32 0.02 0.00 1.25 0.00 0.00 42.46 41.20 2nnk s ILE 113 CO 0.25 -0.33 -0.06 -0.75 0.24 0.00 0.00 174.94 174.29 2nnk s LYS 114 N -3.33 1.20 -0.07 0.37 2.20 -0.28 -1.16 119.74 118.67 2nnk s LYS 114 Ca 0.28 -0.16 -0.03 0.00 -0.36 0.00 0.00 55.97 55.70 2nnk s LYS 114 Cb -0.06 -1.28 0.04 0.00 -1.51 0.00 0.00 37.83 35.03 2nnk s LYS 114 CO 0.14 -0.20 0.16 -1.50 -0.36 0.00 0.00 175.35 173.59 2nnk s ILE 115 N 1.48 -0.06 -1.57 5.43 1.10 -0.31 -1.19 121.20 126.08 2nnk s ILE 115 Ca -0.01 0.19 0.00 0.00 -0.51 0.00 0.00 60.65 60.32 2nnk s ILE 115 Cb -0.13 -0.26 0.00 0.00 0.15 0.00 0.00 42.46 42.22 2nnk s ILE 115 CO -0.04 0.08 0.00 0.61 -2.11 0.00 0.00 174.94 173.47 2nnk n GLY 116 N 4.27 0.27 2.86 1.50 0.00 -1.26 -1.53 105.19 111.30 2nnk n GLY 116 Ca -0.25 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.59 2nnk n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nnk n GLY 117 N -0.98 0.82 3.49 -0.02 0.00 -1.26 -5.00 105.19 102.25 2nnk n GLY 117 Ca -0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 2nnk n GLY 117 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2nnk s GLN 118 N -0.10 2.50 0.07 1.61 -0.21 -0.58 -5.11 119.66 117.85 2nnk s GLN 118 Ca 0.00 -0.70 -0.21 0.00 0.02 0.00 0.00 55.36 54.47 2nnk s GLN 118 Cb 0.00 -2.39 -0.07 0.00 1.00 0.00 0.00 33.01 31.55 2nnk s GLN 118 CO 0.00 0.62 0.62 -0.51 -2.12 0.00 0.00 175.29 173.91 2nnk s LEU 119 N -0.82 4.52 0.09 2.90 1.43 -1.26 -1.16 118.68 124.38 2nnk s LEU 119 Ca 0.12 1.33 -0.02 0.00 -1.03 0.00 0.00 54.13 54.53 2nnk s LEU 119 Cb -0.11 -3.00 -0.04 0.00 0.03 0.00 0.00 46.19 43.08 2nnk s LEU 119 CO 0.01 0.22 0.04 -0.54 0.23 0.00 0.00 176.35 176.31 2nnk s LYS 120 N -0.88 0.80 -0.05 1.70 1.02 -0.31 -4.99 119.74 117.03 2nnk s LYS 120 Ca 0.31 -1.29 -0.05 0.00 0.02 0.00 0.00 55.97 54.95 2nnk s LYS 120 Cb -0.20 0.24 -0.04 0.00 -0.52 0.00 0.00 37.83 37.31 2nnk s LYS 120 CO 0.20 -0.20 0.19 -2.00 -0.92 0.00 0.00 175.35 172.62 2nnk s GLU 121 N -3.97 3.48 0.07 1.68 2.12 -1.26 -0.25 118.70 120.56 2nnk s GLU 121 Ca 0.15 -0.18 -0.11 0.00 0.36 0.00 0.00 54.97 55.19 2nnk s GLU 121 Cb 0.07 -3.13 0.01 0.00 0.26 0.00 0.00 34.13 31.34 2nnk s GLU 121 CO -0.04 0.71 0.24 0.00 -0.54 0.00 0.00 175.26 175.63 2nnk s ALA 122 N -1.20 -0.44 -0.20 6.30 0.00 -0.13 -4.36 121.76 121.72 2nnk s ALA 122 Ca 0.23 -0.33 -0.15 0.00 0.00 0.00 0.00 51.96 51.70 2nnk s ALA 122 Cb -0.13 0.43 -0.04 0.00 0.00 0.00 0.00 23.12 23.38 2nnk s ALA 122 CO 0.13 -0.47 0.36 -1.17 0.00 0.00 0.00 175.76 174.60 2nnk s LEU 123 N -2.50 4.16 -0.43 0.00 2.96 0.35 -0.72 118.68 122.49 2nnk s LEU 123 Ca 0.00 0.46 -0.29 0.00 -0.22 0.00 0.00 54.13 54.08 2nnk s LEU 123 Cb 0.02 -2.44 0.02 0.00 0.50 0.00 0.00 46.19 44.29 2nnk s LEU 123 CO -0.08 -0.04 1.16 -0.76 -1.32 0.00 0.00 176.35 175.31 2nnk s LEU 124 N 1.20 3.70 -0.34 -0.68 1.43 -0.36 -0.42 118.68 123.22 2nnk s LEU 124 Ca 0.17 0.67 0.02 0.00 -1.03 0.00 0.00 54.13 53.95 2nnk s LEU 124 Cb -0.14 -3.55 0.10 0.00 0.03 0.00 0.00 46.19 42.63 2nnk s LEU 124 CO 0.07 -1.19 0.10 -0.62 0.23 0.00 0.00 176.35 174.94 2nnk s ASP 125 N 2.46 4.31 0.56 2.29 -1.08 -0.18 -4.79 116.67 120.23 2nnk s ASP 125 Ca 0.49 -1.97 0.32 0.00 -0.52 0.00 0.00 52.55 50.86 2nnk s ASP 125 Cb -0.09 -1.21 1.64 0.00 -1.46 0.00 0.00 42.92 41.79 2nnk s ASP 125 CO 0.28 -0.38 2.12 0.71 0.52 0.00 0.00 175.17 178.42 2nnk h THR 126 N 6.40 0.38 -0.00 1.71 1.35 -1.94 -2.37 112.91 118.44 2nnk h THR 126 Ca -0.09 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 2nnk h THR 126 Cb 1.01 1.29 0.00 0.00 -1.73 0.00 0.00 68.15 68.71 2nnk h THR 126 CO 0.50 0.07 -0.06 0.61 -0.25 0.00 0.00 175.52 176.39 2nnk n GLY 127 N -0.69 -1.11 3.70 5.82 0.00 -1.26 -4.84 105.19 106.82 2nnk n GLY 127 Ca -0.02 -0.21 -0.35 0.00 0.00 0.00 0.00 46.02 45.45 2nnk n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nnk s ALA 128 N -2.51 3.57 0.19 4.61 0.00 -0.89 -4.98 121.76 121.76 2nnk s ALA 128 Ca 0.29 -0.71 -0.03 0.00 0.00 0.00 0.00 51.96 51.51 2nnk s ALA 128 Cb 0.20 -2.04 0.11 0.00 0.00 0.00 0.00 23.12 21.39 2nnk s ALA 128 CO 0.47 0.20 1.49 -0.44 0.00 0.00 0.00 175.76 177.48 2nnk h ASP 129 N 6.56 0.60 -2.14 0.00 3.32 -1.88 0.90 116.42 123.79 2nnk h ASP 129 Ca -0.40 -0.33 -0.59 0.00 0.02 0.00 0.00 57.03 55.73 2nnk h ASP 129 Cb 1.16 -0.17 -0.14 0.00 0.22 0.00 0.00 39.33 40.40 2nnk h ASP 129 CO 0.72 1.04 -0.68 -1.81 -1.72 0.00 0.00 179.24 176.80 2nnk s ASP 130 N -6.93 3.54 -0.20 6.45 1.01 -1.26 -2.62 116.67 116.66 2nnk s ASP 130 Ca -0.07 -1.20 -0.08 0.00 0.71 0.00 0.00 52.55 51.91 2nnk s ASP 130 Cb 0.11 -0.31 -0.04 0.00 1.01 0.00 0.00 42.92 43.69 2nnk s ASP 130 CO 0.84 -0.23 0.07 -0.89 0.21 0.00 0.00 175.17 175.17 2nnk s THR 131 N -2.69 4.77 -0.10 -1.27 2.01 -1.26 -3.02 115.64 114.08 2nnk s THR 131 Ca 0.32 -0.04 0.00 0.00 0.31 0.00 0.00 61.69 62.29 2nnk s THR 131 Cb 0.03 -3.17 0.02 0.00 0.01 0.00 0.00 72.50 69.39 2nnk s THR 131 CO 0.16 0.43 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.74 2nnk s VAL 132 N 0.61 1.05 0.12 3.82 1.01 -0.41 -0.90 120.40 125.71 2nnk s VAL 132 Ca 0.04 -0.35 0.08 0.00 0.00 0.00 0.00 61.98 61.75 2nnk s VAL 132 Cb -0.13 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 2nnk s VAL 132 CO 0.01 0.36 -0.20 0.27 0.00 0.00 0.00 175.10 175.54 2nnk s ILE 133 N 1.34 1.73 0.74 2.22 -4.36 0.41 -0.38 121.20 122.90 2nnk s ILE 133 Ca -0.02 -1.62 -0.15 0.00 -0.26 0.00 0.00 60.65 58.59 2nnk s ILE 133 Cb -0.14 -1.62 0.04 0.00 1.25 0.00 0.00 42.46 42.00 2nnk s ILE 133 CO -0.04 -0.12 1.25 -1.83 0.24 0.00 0.00 174.94 174.44 2nnk s GLU 134 N -2.10 2.04 0.10 0.37 -1.05 -1.26 -1.94 118.70 114.86 2nnk s GLU 134 Ca 0.08 1.90 -0.36 0.00 -0.15 0.00 0.00 54.97 56.44 2nnk s GLU 134 Cb -0.09 -1.81 -0.17 0.00 -0.44 0.00 0.00 34.13 31.63 2nnk s GLU 134 CO 0.05 -1.95 1.29 0.39 0.95 0.00 0.00 175.26 175.99 2nnk n GLU 135 N -2.68 1.12 -3.60 -4.83 4.71 -1.25 -4.73 120.64 109.38 2nnk n GLU 135 Ca 0.15 0.40 -0.09 0.00 -0.01 0.00 0.00 57.16 57.61 2nnk n GLU 135 Cb 0.49 -2.01 -0.05 0.00 -1.01 0.00 0.00 31.44 28.86 2nnk n GLU 135 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2nnk s MET 136 N 0.27 0.48 0.28 3.49 0.23 -1.26 -5.05 119.30 117.74 2nnk s MET 136 Ca 0.82 0.21 -0.24 0.00 -1.03 0.00 0.00 55.69 55.45 2nnk s MET 136 Cb -0.94 0.23 -0.09 0.00 -1.53 0.00 0.00 34.83 32.50 2nnk s MET 136 CO 0.48 -0.13 0.86 0.45 -2.03 0.00 0.00 175.02 174.66 2nnk s SER 137 N -0.77 7.24 0.05 -1.18 0.15 -1.26 -5.04 113.70 112.89 2nnk s SER 137 Ca 0.01 1.68 0.02 0.00 0.70 0.00 0.00 55.95 58.36 2nnk s SER 137 Cb -0.02 -2.52 -0.03 0.00 -1.71 0.00 0.00 66.02 61.75 2nnk s SER 137 CO -0.02 -0.03 -0.07 -0.76 1.20 0.00 0.00 173.24 173.56 2nnk s LEU 138 N -2.00 2.29 0.52 3.45 1.43 -1.26 -4.98 118.68 118.12 2nnk s LEU 138 Ca 0.47 -0.60 -0.19 0.00 -1.03 0.00 0.00 54.13 52.79 2nnk s LEU 138 Cb -0.18 -0.12 -0.07 0.00 0.03 0.00 0.00 46.19 45.85 2nnk s LEU 138 CO 0.23 -0.25 1.04 -2.16 0.23 0.00 0.00 176.35 175.43 2nnk s PRO 139 N -1.85 3.68 0.24 1.29 0.04 -1.26 -4.92 135.00 132.22 2nnk s PRO 139 Ca -0.08 1.27 0.00 0.00 0.04 0.00 0.00 61.00 62.23 2nnk s PRO 139 Cb -0.08 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.38 2nnk s PRO 139 CO -0.00 -0.52 0.00 0.41 0.04 0.00 0.00 177.00 176.92 2nnk n GLY 140 N -0.61 -2.63 3.88 0.56 0.00 -1.26 -4.95 105.19 100.18 2nnk n GLY 140 Ca 0.09 -1.80 -0.30 0.00 0.00 0.00 0.00 46.02 44.01 2nnk n GLY 140 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2nnk s ARG 141 N -0.49 3.71 0.27 1.61 0.52 -1.26 -5.10 118.95 118.21 2nnk s ARG 141 Ca 0.00 0.39 0.11 0.00 -0.52 0.00 0.00 55.73 55.71 2nnk s ARG 141 Cb 0.00 -2.39 -0.05 0.00 0.52 0.00 0.00 34.95 33.03 2nnk s ARG 141 CO 0.00 -0.08 -0.17 1.67 0.02 0.00 0.00 175.30 176.74 2nnk s TRP 142 N -2.47 2.17 0.19 -0.53 1.48 -1.26 -4.61 118.94 113.91 2nnk s TRP 142 Ca 0.50 -0.42 0.10 0.00 -1.06 0.00 0.00 56.10 55.22 2nnk s TRP 142 Cb -0.10 -1.01 -0.04 0.00 -1.16 0.00 0.00 33.47 31.15 2nnk s TRP 142 CO 0.35 0.60 -0.20 -1.59 -4.06 0.00 0.00 176.95 172.05 2nnk s LYS 143 N -3.56 1.40 0.44 3.25 -2.85 -0.51 -4.90 119.74 113.01 2nnk s LYS 143 Ca 0.29 -1.50 -0.21 0.00 -1.00 0.00 0.00 55.97 53.55 2nnk s LYS 143 Cb -0.03 -1.54 -0.10 0.00 -2.06 0.00 0.00 37.83 34.10 2nnk s LYS 143 CO 0.13 0.31 0.97 -1.25 0.10 0.00 0.00 175.35 175.62 2nnk s PRO 144 N -2.89 4.14 -0.18 1.78 0.04 -1.26 -0.74 135.00 135.89 2nnk s PRO 144 Ca 0.19 1.19 -0.20 0.00 0.04 0.00 0.00 61.00 62.22 2nnk s PRO 144 Cb -0.06 -2.18 0.05 0.00 0.04 0.00 0.00 34.50 32.35 2nnk s PRO 144 CO 0.09 -0.12 0.54 0.21 0.04 0.00 0.00 177.00 177.76 2nnk s LYS 145 N -3.16 0.68 -0.12 4.56 2.20 -1.18 -4.84 119.74 117.89 2nnk s LYS 145 Ca 0.63 0.65 -0.02 0.00 -0.36 0.00 0.00 55.97 56.87 2nnk s LYS 145 Cb -0.11 0.33 -0.03 0.00 -1.51 0.00 0.00 37.83 36.51 2nnk s LYS 145 CO 0.15 -0.11 -0.04 -1.64 -0.36 0.00 0.00 175.35 173.35 2nnk s MET 146 N 0.04 3.27 0.08 4.03 -1.94 -1.26 -1.18 119.30 122.33 2nnk s MET 146 Ca -0.02 -0.50 0.07 0.00 -1.71 0.00 0.00 55.69 53.52 2nnk s MET 146 Cb -0.04 -2.80 -0.03 0.00 2.01 0.00 0.00 34.83 33.98 2nnk s MET 146 CO 0.02 0.46 -0.18 0.96 -0.01 0.00 0.00 175.02 176.27 2nnk s ILE 147 N -0.24 1.46 -0.14 2.53 -4.36 -0.61 -4.98 121.20 114.87 2nnk s ILE 147 Ca 0.04 -1.37 -0.02 0.00 -0.26 0.00 0.00 60.65 59.04 2nnk s ILE 147 Cb -0.13 -1.34 -0.02 0.00 1.25 0.00 0.00 42.46 42.22 2nnk s ILE 147 CO 0.02 -0.07 -0.07 -0.83 0.24 0.00 0.00 174.94 174.23 2nnk s GLY 148 N -1.69 1.66 0.05 6.27 0.00 -1.26 -1.10 107.32 111.25 2nnk s GLY 148 Ca 0.03 -0.85 0.00 0.00 0.00 0.00 0.00 44.72 43.91 2nnk s GLY 148 CO 0.03 -0.19 0.01 0.61 0.00 0.00 0.00 173.10 173.56 2nnk n GLY 149 N 3.35 4.07 0.33 0.20 0.00 -0.46 -4.98 105.19 107.71 2nnk n GLY 149 Ca -0.18 -2.10 0.09 0.00 0.00 0.00 0.00 46.02 43.84 2nnk n GLY 149 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2nnk h ILE 150 N 1.05 0.96 -0.29 -0.61 6.09 -2.04 -2.43 117.51 120.24 2nnk h ILE 150 Ca -0.04 -0.15 0.00 0.00 -1.37 0.00 0.00 64.86 63.30 2nnk h ILE 150 Cb 0.15 0.50 0.00 0.00 0.47 0.00 0.00 36.82 37.94 2nnk h ILE 150 CO 0.07 0.08 0.00 0.61 -3.07 0.00 0.00 178.15 175.84 2nnk n GLY 151 N -1.51 1.16 0.00 8.18 0.00 -1.26 -5.06 105.19 106.71 2nnk n GLY 151 Ca 0.07 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.47 2nnk n GLY 151 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nnk n GLY 152 N 1.36 0.88 3.88 -0.02 0.00 -0.92 -5.09 105.19 105.28 2nnk n GLY 152 Ca 0.18 -2.14 -0.32 0.00 0.00 0.00 0.00 46.02 43.74 2nnk n GLY 152 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2nnk s PHE 153 N -0.99 3.44 0.11 1.61 0.40 -1.26 -1.36 117.98 119.93 2nnk s PHE 153 Ca 0.00 0.85 0.04 0.00 -0.60 0.00 0.00 56.93 57.22 2nnk s PHE 153 Cb 0.00 -2.24 -0.04 0.00 0.51 0.00 0.00 43.02 41.26 2nnk s PHE 153 CO 0.00 0.29 -0.11 0.96 0.70 0.00 0.00 175.22 177.07 2nnk s ILE 154 N -1.78 1.06 0.09 0.64 -4.36 -0.26 -4.98 121.20 111.61 2nnk s ILE 154 Ca 0.46 -1.73 -0.20 0.00 -0.26 0.00 0.00 60.65 58.92 2nnk s ILE 154 Cb -0.11 -1.48 -0.07 0.00 1.25 0.00 0.00 42.46 42.04 2nnk s ILE 154 CO 0.21 -0.56 0.59 -0.54 0.24 0.00 0.00 174.94 174.88 2nnk s LYS 155 N -2.94 4.23 0.20 0.37 1.02 -1.26 -1.57 119.74 119.78 2nnk s LYS 155 Ca 0.08 0.77 0.01 0.00 0.02 0.00 0.00 55.97 56.85 2nnk s LYS 155 Cb -0.02 -3.22 -0.05 0.00 -0.52 0.00 0.00 37.83 34.02 2nnk s LYS 155 CO 0.01 0.62 0.06 0.14 -0.92 0.00 0.00 175.35 175.26 2nnk s VAL 156 N -1.14 0.46 -0.26 3.17 -7.23 -0.33 -4.73 120.40 110.35 2nnk s VAL 156 Ca 0.30 -1.98 -0.11 0.00 -1.81 0.00 0.00 61.98 58.38 2nnk s VAL 156 Cb -0.20 -2.36 -0.05 0.00 0.56 0.00 0.00 36.38 34.34 2nnk s VAL 156 CO 0.20 -0.23 0.17 -0.13 -0.31 0.00 0.00 175.10 174.80 2nnk s ARG 157 N -4.01 3.99 -0.31 4.82 0.52 -0.28 -3.08 118.95 120.61 2nnk s ARG 157 Ca 0.31 -0.30 -0.15 0.00 -0.52 0.00 0.00 55.73 55.07 2nnk s ARG 157 Cb 0.07 -3.59 -0.02 0.00 0.52 0.00 0.00 34.95 31.92 2nnk s ARG 157 CO 0.08 -0.07 0.37 -1.14 0.02 0.00 0.00 175.30 174.56 2nnk s GLN 158 N 1.43 3.79 -0.20 3.54 0.74 0.08 -0.78 119.66 128.26 2nnk s GLN 158 Ca 0.07 -0.20 -0.04 0.00 0.05 0.00 0.00 55.36 55.25 2nnk s GLN 158 Cb -0.15 -3.73 -0.02 0.00 1.10 0.00 0.00 33.01 30.21 2nnk s GLN 158 CO 0.08 -0.40 -0.04 0.71 -0.55 0.00 0.00 175.29 175.08 2nnk s TYR 159 N 2.05 2.97 0.27 1.67 1.51 -0.33 -1.42 117.35 124.07 2nnk s TYR 159 Ca 0.13 -0.70 -0.01 0.00 -1.01 0.00 0.00 57.07 55.48 2nnk s TYR 159 Cb -0.16 -2.06 -0.04 0.00 -0.11 0.00 0.00 41.96 39.59 2nnk s TYR 159 CO 0.11 -0.38 0.48 -0.51 -1.11 0.00 0.00 175.55 174.14 2nnk s ASP 160 N 1.12 6.37 -1.24 2.29 1.01 -1.26 -1.00 116.67 123.95 2nnk s ASP 160 Ca 0.02 0.47 -0.01 0.00 0.71 0.00 0.00 52.55 53.74 2nnk s ASP 160 Cb -0.15 -2.04 0.00 0.00 1.01 0.00 0.00 42.92 41.75 2nnk s ASP 160 CO -0.00 -0.16 0.96 1.67 0.21 0.00 0.00 175.17 177.85 2nnk n GLN 161 N -1.12 -6.40 -3.65 8.23 7.27 -1.11 -4.90 117.38 115.70 2nnk n GLN 161 Ca -0.04 0.80 -0.36 0.00 0.07 0.00 0.00 57.00 57.46 2nnk n GLN 161 Cb 0.55 -5.73 -0.07 0.00 2.41 0.00 0.00 30.24 27.40 2nnk n GLN 161 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 2nnk s ILE 162 N -3.42 5.35 -0.11 1.69 -1.09 0.01 -4.71 121.20 118.93 2nnk s ILE 162 Ca 0.07 0.40 -0.30 0.00 -2.23 0.00 0.00 60.65 58.59 2nnk s ILE 162 Cb -0.03 -3.55 -0.02 0.00 -1.58 0.00 0.00 42.46 37.28 2nnk s ILE 162 CO 0.75 0.45 1.15 -0.63 -1.23 0.00 0.00 174.94 175.43 2nnk s ILE 163 N 0.11 4.42 -0.11 2.92 1.01 -1.26 -1.46 121.20 126.83 2nnk s ILE 163 Ca 0.14 1.72 -0.06 0.00 0.00 0.00 0.00 60.65 62.46 2nnk s ILE 163 Cb -0.12 -4.11 0.05 0.00 0.01 0.00 0.00 42.46 38.28 2nnk s ILE 163 CO 0.03 -0.05 0.26 -0.51 0.00 0.00 0.00 174.94 174.67 2nnk s ILE 164 N 2.55 -0.05 -0.08 2.92 2.07 -0.47 -4.48 121.20 123.65 2nnk s ILE 164 Ca 0.53 0.15 -0.14 0.00 -1.41 0.00 0.00 60.65 59.78 2nnk s ILE 164 Cb -0.22 -0.40 -0.05 0.00 0.13 0.00 0.00 42.46 41.92 2nnk s ILE 164 CO 0.18 0.06 0.34 -0.70 -1.91 0.00 0.00 174.94 172.90 2nnk s GLU 165 N 1.30 4.00 -0.22 3.50 2.56 -0.34 -0.69 118.70 128.82 2nnk s GLU 165 Ca -0.09 0.23 -0.00 0.00 0.00 0.00 0.00 54.97 55.11 2nnk s GLU 165 Cb -0.10 -3.31 0.06 0.00 2.00 0.00 0.00 34.13 32.78 2nnk s GLU 165 CO -0.09 0.50 -0.03 0.42 -0.56 0.00 0.00 175.26 175.50 2nnk s ILE 166 N -0.38 1.24 -1.58 -3.70 1.01 0.46 -1.13 121.20 117.13 2nnk s ILE 166 Ca 0.20 -1.00 -0.15 0.00 0.00 0.00 0.00 60.65 59.70 2nnk s ILE 166 Cb -0.15 -1.56 0.10 0.00 0.01 0.00 0.00 42.46 40.87 2nnk s ILE 166 CO 0.08 -0.10 0.94 0.00 0.00 0.00 0.00 174.94 175.86 2nnk n ALA 167 N 4.78 -1.28 -1.00 9.38 0.00 -0.20 -0.73 120.51 131.47 2nnk n ALA 167 Ca -0.11 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2nnk n ALA 167 Cb 0.45 -4.25 0.00 0.00 0.00 0.00 0.00 19.45 15.65 2nnk n ALA 167 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2nnk n GLY 168 N -1.62 0.62 3.59 0.00 0.00 -1.26 -5.03 105.19 101.49 2nnk n GLY 168 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 2nnk n GLY 168 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2nnk s HIS 169 N -2.49 3.07 0.02 1.61 4.02 0.09 -5.10 115.29 116.52 2nnk s HIS 169 Ca 0.00 -0.02 -0.22 0.00 1.02 0.00 0.00 55.06 55.84 2nnk s HIS 169 Cb 0.00 -1.84 -0.06 0.00 -1.02 0.00 0.00 32.58 29.66 2nnk s HIS 169 CO 0.00 0.25 0.65 0.21 1.02 0.00 0.00 174.74 176.87 2nnk s LYS 170 N -0.39 4.37 0.09 1.40 2.47 -1.26 -0.40 119.74 126.02 2nnk s LYS 170 Ca 0.07 0.85 0.05 0.00 -1.56 0.00 0.00 55.97 55.37 2nnk s LYS 170 Cb -0.12 -3.34 -0.03 0.00 -1.46 0.00 0.00 37.83 32.88 2nnk s LYS 170 CO 0.02 0.38 -0.13 0.00 0.16 0.00 0.00 175.35 175.78 2nnk s ALA 171 N -0.27 1.22 -0.14 3.13 0.00 0.13 -4.78 121.76 121.06 2nnk s ALA 171 Ca 0.33 -1.13 -0.04 0.00 0.00 0.00 0.00 51.96 51.12 2nnk s ALA 171 Cb -0.19 -0.05 0.05 0.00 0.00 0.00 0.00 23.12 22.93 2nnk s ALA 171 CO 0.19 0.08 0.08 0.42 0.00 0.00 0.00 175.76 176.53 2nnk s ILE 172 N -1.87 -0.05 0.00 0.00 1.01 -1.26 -1.37 121.20 117.67 2nnk s ILE 172 Ca 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 60.65 60.65 2nnk s ILE 172 Cb -0.06 -0.49 0.00 0.00 0.01 0.00 0.00 42.46 41.91 2nnk s ILE 172 CO 0.02 -0.15 0.00 0.61 0.00 0.00 0.00 174.94 175.42 2nnk n GLY 173 N 5.27 1.30 3.72 6.18 0.00 -0.53 -4.78 105.19 116.34 2nnk n GLY 173 Ca -0.06 -0.79 -0.41 0.00 0.00 0.00 0.00 46.02 44.76 2nnk n GLY 173 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2nnk s THR 174 N -2.41 4.84 -0.10 2.61 2.01 -1.26 -0.81 115.64 120.52 2nnk s THR 174 Ca 0.00 1.90 0.02 0.00 0.31 0.00 0.00 61.69 63.92 2nnk s THR 174 Cb 0.00 -4.25 0.01 0.00 0.01 0.00 0.00 72.50 68.28 2nnk s THR 174 CO 0.00 0.22 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.31 2nnk s VAL 175 N 0.72 1.48 -0.12 3.82 1.01 -0.17 -4.53 120.40 122.61 2nnk s VAL 175 Ca 0.47 -0.64 -0.13 0.00 0.00 0.00 0.00 61.98 61.68 2nnk s VAL 175 Cb -0.21 -1.35 -0.05 0.00 0.00 0.00 0.00 36.38 34.78 2nnk s VAL 175 CO 0.26 0.44 0.30 -0.76 0.00 0.00 0.00 175.10 175.33 2nnk s LEU 176 N 0.91 4.32 -0.16 3.92 1.43 -0.08 -1.19 118.68 127.84 2nnk s LEU 176 Ca -0.08 0.61 0.00 0.00 -1.03 0.00 0.00 54.13 53.62 2nnk s LEU 176 Cb -0.15 -2.38 -0.00 0.00 0.03 0.00 0.00 46.19 43.69 2nnk s LEU 176 CO -0.00 0.20 -0.15 -0.69 0.23 0.00 0.00 176.35 175.94 2nnk s VAL 177 N -0.11 2.73 -0.02 -1.59 1.01 0.04 -0.44 120.40 122.02 2nnk s VAL 177 Ca 0.18 -0.75 -0.18 0.00 0.00 0.00 0.00 61.98 61.23 2nnk s VAL 177 Cb -0.14 -2.15 0.06 0.00 0.00 0.00 0.00 36.38 34.15 2nnk s VAL 177 CO 0.06 0.51 0.81 0.61 0.00 0.00 0.00 175.10 177.09 2nnk n GLY 178 N 4.04 0.36 3.61 4.51 0.00 -0.82 -1.12 105.19 115.77 2nnk n GLY 178 Ca -0.19 -0.97 -0.43 0.00 0.00 0.00 0.00 46.02 44.44 2nnk n GLY 178 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2nnk s PRO 179 N -2.01 3.67 -0.08 1.61 0.04 -1.26 -3.84 135.00 133.13 2nnk s PRO 179 Ca 0.19 0.99 -0.07 0.00 0.04 0.00 0.00 61.00 62.15 2nnk s PRO 179 Cb -0.00 -3.98 0.02 0.00 0.04 0.00 0.00 34.50 30.58 2nnk s PRO 179 CO -0.01 -1.44 0.21 -0.08 0.04 0.00 0.00 177.00 175.73 2nnk s THR 180 N 5.09 -0.01 -0.71 1.26 -1.32 -1.26 -5.01 115.64 113.68 2nnk s THR 180 Ca 0.59 0.02 0.23 0.00 -1.21 0.00 0.00 61.69 61.33 2nnk s THR 180 Cb -0.14 -0.31 0.24 0.00 -1.51 0.00 0.00 72.50 70.78 2nnk s THR 180 CO 0.30 0.01 1.72 -0.81 -2.21 0.00 0.00 174.62 173.63 2nnk n PRO 181 N 3.15 0.16 -3.82 7.08 -0.04 -1.26 -4.73 135.00 135.53 2nnk n PRO 181 Ca -0.15 0.28 -0.13 0.00 -0.04 0.00 0.00 63.50 63.47 2nnk n PRO 181 Cb 0.58 -1.74 -0.14 0.00 -0.04 0.00 0.00 33.50 32.16 2nnk n PRO 181 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2nnk s VAL 182 N -3.16 -0.01 0.09 0.52 1.01 -1.26 -5.11 120.40 112.47 2nnk s VAL 182 Ca 0.08 0.05 -0.30 0.00 0.00 0.00 0.00 61.98 61.80 2nnk s VAL 182 Cb 0.11 -0.13 -0.06 0.00 0.00 0.00 0.00 36.38 36.30 2nnk s VAL 182 CO 0.45 0.02 1.16 0.20 0.00 0.00 0.00 175.10 176.93 2nnk s ASN 183 N 0.32 7.14 -0.15 3.32 0.01 -1.26 -4.84 114.94 119.48 2nnk s ASN 183 Ca -0.02 2.01 0.01 0.00 -0.71 0.00 0.00 52.86 54.15 2nnk s ASN 183 Cb -0.03 -2.59 0.00 0.00 0.41 0.00 0.00 41.25 39.04 2nnk s ASN 183 CO -0.01 -0.39 -0.18 -0.69 -1.51 0.00 0.00 177.10 174.32 2nnk s VAL 184 N 0.71 2.44 -0.44 1.60 1.01 0.49 -0.49 120.40 125.71 2nnk s VAL 184 Ca 0.56 -0.85 -0.18 0.00 0.00 0.00 0.00 61.98 61.51 2nnk s VAL 184 Cb -0.29 -2.01 0.03 0.00 0.00 0.00 0.00 36.38 34.11 2nnk s VAL 184 CO 0.31 0.53 0.49 -0.63 0.00 0.00 0.00 175.10 175.79 2nnk s ILE 185 N 0.86 5.03 0.20 2.22 -1.09 0.44 -1.28 121.20 127.59 2nnk s ILE 185 Ca -0.05 -0.39 0.01 0.00 -2.23 0.00 0.00 60.65 57.99 2nnk s ILE 185 Cb -0.15 -4.11 0.04 0.00 -1.58 0.00 0.00 42.46 36.65 2nnk s ILE 185 CO -0.02 -0.53 0.28 0.61 -1.23 0.00 0.00 174.94 174.06 2nnk n GLY 186 N 5.12 1.17 0.23 6.18 0.00 -1.17 -1.01 105.19 115.72 2nnk n GLY 186 Ca -0.07 -2.04 0.09 0.00 0.00 0.00 0.00 46.02 43.99 2nnk n GLY 186 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2nnk h ARG 187 N 0.00 0.00 -0.79 1.61 3.08 -0.79 -1.01 114.38 116.49 2nnk h ARG 187 Ca -0.09 0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.06 2nnk h ARG 187 Cb 0.37 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.37 2nnk h ARG 187 CO 0.11 0.21 0.51 -2.95 -1.07 0.00 0.00 179.97 176.78 2nnk h ASN 188 N 0.00 0.62 0.00 7.04 -1.07 -1.77 -1.32 115.58 119.08 2nnk h ASN 188 Ca -0.00 0.02 -0.20 0.00 0.07 0.00 0.00 56.30 56.19 2nnk h ASN 188 Cb 0.47 -0.11 -0.04 0.00 -2.07 0.00 0.00 38.32 36.57 2nnk h ASN 188 CO 0.03 0.36 -2.15 0.18 0.07 0.00 0.00 177.43 175.92 2nnk n LEU 189 N -4.51 0.00 -0.18 6.14 4.77 -0.73 -4.05 117.00 118.44 2nnk n LEU 189 Ca 0.13 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.15 2nnk n LEU 189 Cb 0.36 0.27 0.30 0.00 -2.33 0.00 0.00 43.42 42.02 2nnk n LEU 189 CO 0.32 0.27 1.22 -0.07 -1.33 0.00 0.00 177.39 177.81 2nnk h LEU 190 N 0.00 0.75 -1.10 2.23 3.38 -1.05 -1.33 115.31 118.18 2nnk h LEU 190 Ca -0.30 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.58 2nnk h LEU 190 Cb 1.65 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 42.21 2nnk h LEU 190 CO 0.02 0.52 -0.22 0.71 0.09 0.00 0.00 178.44 179.56 2nnk h THR 191 N 0.88 1.24 0.00 0.22 1.35 -1.41 -1.95 112.91 113.24 2nnk h THR 191 Ca 0.28 -1.12 -0.05 0.00 -0.55 0.00 0.00 66.41 64.97 2nnk h THR 191 Cb 0.03 1.33 -0.01 0.00 -1.73 0.00 0.00 68.15 67.77 2nnk h THR 191 CO -0.08 0.35 -0.22 1.56 -0.25 0.00 0.00 175.52 176.89 2nnk h GLN 192 N 0.33 0.00 -0.24 4.72 4.20 -1.40 -2.58 115.11 120.14 2nnk h GLN 192 Ca 0.06 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.77 2nnk h GLN 192 Cb 0.57 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.35 2nnk h GLN 192 CO 0.04 0.22 0.00 0.44 -0.67 0.00 0.00 178.83 178.86 2nnk n ILE 193 N -3.55 0.29 -1.86 2.54 -5.35 -0.96 -4.93 119.36 105.55 2nnk n ILE 193 Ca -0.01 -0.58 -0.02 0.00 -0.27 0.00 0.00 62.75 61.87 2nnk n ILE 193 Cb 0.37 0.95 -0.00 0.00 -1.74 0.00 0.00 39.64 39.22 2nnk n ILE 193 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2nnk n GLY 194 N 1.38 0.33 3.76 3.28 0.00 -0.97 -5.02 105.19 107.94 2nnk n GLY 194 Ca 0.17 -0.83 -0.39 0.00 0.00 0.00 0.00 46.02 44.98 2nnk n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nnk s ALA 195 N -2.11 3.31 0.12 4.61 0.00 -0.77 -5.04 121.76 121.88 2nnk s ALA 195 Ca 0.00 0.61 0.04 0.00 0.00 0.00 0.00 51.96 52.61 2nnk s ALA 195 Cb 0.00 -3.21 -0.04 0.00 0.00 0.00 0.00 23.12 19.87 2nnk s ALA 195 CO 0.00 0.18 -0.10 0.95 0.00 0.00 0.00 175.76 176.80 2nnk s THR 196 N -1.29 1.02 -0.16 0.00 -4.23 -1.26 -4.75 115.64 104.97 2nnk s THR 196 Ca 0.44 -1.92 -0.07 0.00 -1.18 0.00 0.00 61.69 58.95 2nnk s THR 196 Cb -0.24 -1.68 -0.04 0.00 1.34 0.00 0.00 72.50 71.87 2nnk s THR 196 CO 0.30 -0.71 0.09 -0.22 -0.54 0.00 0.00 174.62 173.54 2nnk s LEU 197 N -2.94 4.04 -0.00 4.79 2.96 -1.26 -5.09 118.68 121.18 2nnk s LEU 197 Ca 0.13 0.22 0.02 0.00 -0.22 0.00 0.00 54.13 54.28 2nnk s LEU 197 Cb 0.01 -2.01 -0.01 0.00 0.50 0.00 0.00 46.19 44.69 2nnk s LEU 197 CO -0.01 0.25 -0.07 0.20 -1.32 0.00 0.00 176.35 175.41 2nnk s ASN 198 N -0.10 0.83 0.00 3.68 0.01 -1.26 -5.29 114.94 112.80 2nnk s ASN 198 Ca 0.08 -0.14 0.00 0.00 -0.71 0.00 0.00 52.86 52.10 2nnk s ASN 198 Cb -0.12 -0.09 0.00 0.00 0.41 0.00 0.00 41.25 41.45 2nnk s ASN 198 CO 0.01 0.08 0.00 2.22 -1.51 0.00 0.00 177.10 177.90