#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3djk s GLN 102 N 0.00 2.65 -0.26 0.54 0.74 -1.26 -5.10 119.66 116.97 3djk s GLN 102 Ca 0.00 -1.11 -0.08 0.00 0.05 0.00 0.00 55.36 54.22 3djk s GLN 102 Cb 0.00 -3.05 -0.03 0.00 1.10 0.00 0.00 33.01 31.03 3djk s GLN 102 CO 0.00 -0.49 0.09 0.42 -0.55 0.00 0.00 175.29 174.76 3djk s ILE 103 N 1.29 4.43 0.82 -2.34 1.01 -1.26 -5.10 121.20 120.05 3djk s ILE 103 Ca -0.02 -0.20 -0.11 0.00 0.00 0.00 0.00 60.65 60.31 3djk s ILE 103 Cb -0.18 -3.11 0.10 0.00 0.01 0.00 0.00 42.46 39.28 3djk s ILE 103 CO -0.03 0.28 1.17 0.42 0.00 0.00 0.00 174.94 176.78 3djk s THR 104 N 1.62 2.06 -0.12 2.92 -4.23 -1.26 -5.03 115.64 111.59 3djk s THR 104 Ca 0.06 -0.07 0.18 0.00 -1.18 0.00 0.00 61.69 60.67 3djk s THR 104 Cb -0.16 -2.99 0.27 0.00 1.34 0.00 0.00 72.50 70.97 3djk s THR 104 CO 0.05 0.00 1.14 0.18 -0.54 0.00 0.00 174.62 175.45 3djk n LEU 105 N -3.32 2.19 0.21 4.79 4.77 -1.26 -4.62 117.00 119.75 3djk n LEU 105 Ca 0.10 -2.96 0.05 0.00 -0.03 0.00 0.00 56.01 53.18 3djk n LEU 105 Cb 0.61 -0.40 0.44 0.00 -2.33 0.00 0.00 43.42 41.74 3djk n LEU 105 CO 0.53 0.69 0.78 -0.50 -1.33 0.00 0.00 177.39 177.56 3djk h TRP 106 N 0.02 0.00 -2.02 -1.77 4.06 -2.06 -3.43 115.95 110.75 3djk h TRP 106 Ca -0.00 0.00 -0.59 0.00 2.06 0.00 0.00 58.89 60.36 3djk h TRP 106 Cb 1.03 0.00 -0.13 0.00 -1.00 0.00 0.00 29.16 29.06 3djk h TRP 106 CO 0.02 0.31 -0.63 -1.59 -3.56 0.00 0.00 178.44 172.99 3djk s LYS 107 N -4.11 1.83 0.28 0.49 -2.85 -1.26 -5.11 119.74 109.01 3djk s LYS 107 Ca -0.02 -2.00 -0.30 0.00 -1.00 0.00 0.00 55.97 52.65 3djk s LYS 107 Cb 0.14 -1.48 -0.12 0.00 -2.06 0.00 0.00 37.83 34.30 3djk s LYS 107 CO 0.69 -0.01 1.55 0.54 0.10 0.00 0.00 175.35 178.21 3djk n ARG 108 N -0.84 2.53 -2.16 1.78 1.74 -1.26 -4.87 116.66 113.58 3djk n ARG 108 Ca -0.05 0.90 -0.43 0.00 -0.77 0.00 0.00 57.85 57.51 3djk n ARG 108 Cb 0.66 -2.65 0.00 0.00 -1.02 0.00 0.00 32.46 29.45 3djk n ARG 108 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3djk n PRO 109 N 2.08 3.09 -3.19 5.56 -0.04 -1.26 -4.94 135.00 136.30 3djk n PRO 109 Ca 0.09 -3.01 -0.39 0.00 -0.04 0.00 0.00 63.50 60.15 3djk n PRO 109 Cb 0.35 -3.30 -0.06 0.00 -0.04 0.00 0.00 33.50 30.45 3djk n PRO 109 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3djk s LEU 110 N 2.58 4.50 0.19 1.53 1.43 -1.26 -1.16 118.68 126.48 3djk s LEU 110 Ca 0.48 1.31 0.01 0.00 -1.03 0.00 0.00 54.13 54.90 3djk s LEU 110 Cb 0.09 -2.99 -0.05 0.00 0.03 0.00 0.00 46.19 43.27 3djk s LEU 110 CO -0.02 0.19 0.04 0.68 0.23 0.00 0.00 176.35 177.48 3djk s VAL 111 N -0.76 0.55 -0.02 -1.59 -7.23 0.05 -4.97 120.40 106.42 3djk s VAL 111 Ca 0.31 -1.98 -0.22 0.00 -1.81 0.00 0.00 61.98 58.29 3djk s VAL 111 Cb -0.20 -2.26 -0.05 0.00 0.56 0.00 0.00 36.38 34.43 3djk s VAL 111 CO 0.20 -0.33 0.63 -0.89 -0.31 0.00 0.00 175.10 174.40 3djk s THR 112 N -3.75 4.94 0.25 5.32 2.01 -1.26 -1.03 115.64 122.12 3djk s THR 112 Ca 0.28 1.32 0.10 0.00 0.31 0.00 0.00 61.69 63.70 3djk s THR 112 Cb 0.07 -3.97 -0.05 0.00 0.01 0.00 0.00 72.50 68.56 3djk s THR 112 CO 0.07 0.37 -0.09 0.27 -0.69 0.00 0.00 174.62 174.55 3djk s ILE 113 N 0.10 3.07 -0.10 1.82 -4.36 0.37 -1.10 121.20 121.00 3djk s ILE 113 Ca 0.33 -2.03 0.01 0.00 -0.26 0.00 0.00 60.65 58.70 3djk s ILE 113 Cb -0.18 -2.61 0.02 0.00 1.25 0.00 0.00 42.46 40.94 3djk s ILE 113 CO 0.18 -0.33 -0.10 -0.75 0.24 0.00 0.00 174.94 174.18 3djk s LYS 114 N -3.46 1.63 -0.10 0.37 2.20 -0.17 -1.06 119.74 119.16 3djk s LYS 114 Ca 0.30 -0.33 -0.05 0.00 -0.36 0.00 0.00 55.97 55.52 3djk s LYS 114 Cb -0.06 -1.54 0.04 0.00 -1.51 0.00 0.00 37.83 34.76 3djk s LYS 114 CO 0.17 -0.16 0.24 -1.50 -0.36 0.00 0.00 175.35 173.75 3djk s ILE 115 N 1.30 -0.04 -1.45 5.43 2.07 -0.50 -1.27 121.20 126.74 3djk s ILE 115 Ca -0.02 0.14 0.00 0.00 -1.41 0.00 0.00 60.65 59.35 3djk s ILE 115 Cb -0.14 -0.37 0.00 0.00 0.13 0.00 0.00 42.46 42.09 3djk s ILE 115 CO -0.04 0.06 0.00 0.61 -1.91 0.00 0.00 174.94 173.66 3djk n GLY 116 N 4.13 0.07 2.93 1.50 0.00 -1.26 -1.47 105.19 111.08 3djk n GLY 116 Ca -0.24 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.56 3djk n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3djk n GLY 117 N -1.01 0.60 3.49 -0.02 0.00 -1.26 -5.00 105.19 101.99 3djk n GLY 117 Ca -0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 3djk n GLY 117 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3djk s GLN 118 N -0.36 2.53 0.10 1.61 -0.21 -0.54 -5.10 119.66 117.68 3djk s GLN 118 Ca 0.00 -0.68 -0.25 0.00 0.02 0.00 0.00 55.36 54.45 3djk s GLN 118 Cb 0.00 -2.40 -0.07 0.00 1.00 0.00 0.00 33.01 31.54 3djk s GLN 118 CO 0.00 0.63 0.77 -0.51 -2.12 0.00 0.00 175.29 174.06 3djk s LEU 119 N -0.74 4.52 0.09 2.90 1.43 -1.26 -1.40 118.68 124.21 3djk s LEU 119 Ca 0.12 1.53 -0.01 0.00 -1.03 0.00 0.00 54.13 54.74 3djk s LEU 119 Cb -0.11 -3.25 -0.04 0.00 0.03 0.00 0.00 46.19 42.82 3djk s LEU 119 CO 0.01 0.10 0.01 -0.54 0.23 0.00 0.00 176.35 176.16 3djk s LYS 120 N -0.55 0.76 0.02 1.70 1.02 -0.22 -4.99 119.74 117.48 3djk s LYS 120 Ca 0.37 -1.31 -0.11 0.00 0.02 0.00 0.00 55.97 54.94 3djk s LYS 120 Cb -0.22 0.23 -0.05 0.00 -0.52 0.00 0.00 37.83 37.27 3djk s LYS 120 CO 0.24 -0.18 0.36 -2.00 -0.92 0.00 0.00 175.35 172.85 3djk s GLU 121 N -3.98 3.76 0.06 1.68 2.12 -1.26 -0.48 118.70 120.61 3djk s GLU 121 Ca 0.15 0.20 -0.09 0.00 0.36 0.00 0.00 54.97 55.59 3djk s GLU 121 Cb 0.08 -3.11 0.00 0.00 0.26 0.00 0.00 34.13 31.36 3djk s GLU 121 CO -0.05 0.64 0.19 0.00 -0.54 0.00 0.00 175.26 175.50 3djk s ALA 122 N -1.23 -0.28 -0.23 6.30 0.00 -0.20 -4.45 121.76 121.67 3djk s ALA 122 Ca 0.27 -0.47 -0.13 0.00 0.00 0.00 0.00 51.96 51.64 3djk s ALA 122 Cb -0.15 0.39 -0.05 0.00 0.00 0.00 0.00 23.12 23.31 3djk s ALA 122 CO 0.15 -0.44 0.26 -1.17 0.00 0.00 0.00 175.76 174.56 3djk s LEU 123 N -2.50 4.12 -0.25 0.00 2.96 0.09 -0.77 118.68 122.33 3djk s LEU 123 Ca 0.00 0.26 -0.29 0.00 -0.22 0.00 0.00 54.13 53.88 3djk s LEU 123 Cb 0.02 -2.27 -0.01 0.00 0.50 0.00 0.00 46.19 44.43 3djk s LEU 123 CO -0.08 -0.01 1.36 -0.76 -1.32 0.00 0.00 176.35 175.55 3djk s LEU 124 N 1.26 3.96 -0.47 -0.68 1.43 -0.31 -0.82 118.68 123.04 3djk s LEU 124 Ca 0.12 1.41 0.03 0.00 -1.03 0.00 0.00 54.13 54.66 3djk s LEU 124 Cb -0.14 -3.54 0.14 0.00 0.03 0.00 0.00 46.19 42.68 3djk s LEU 124 CO 0.06 -1.05 0.26 -0.62 0.23 0.00 0.00 176.35 175.24 3djk s ASP 125 N 2.92 3.82 0.55 2.29 -1.08 -0.29 -4.78 116.67 120.10 3djk s ASP 125 Ca 0.59 -2.80 0.36 0.00 -0.52 0.00 0.00 52.55 50.18 3djk s ASP 125 Cb -0.20 -1.21 1.72 0.00 -1.46 0.00 0.00 42.92 41.77 3djk s ASP 125 CO 0.23 -0.25 2.08 0.71 0.52 0.00 0.00 175.17 178.46 3djk h THR 126 N 5.25 0.00 -0.00 1.71 1.35 -1.94 -1.69 112.91 117.59 3djk h THR 126 Ca -0.01 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.60 3djk h THR 126 Cb 0.91 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 68.50 3djk h THR 126 CO 0.55 0.00 -0.01 0.61 -0.25 0.00 0.00 175.52 176.41 3djk n GLY 127 N -0.50 -1.00 3.45 5.82 0.00 -1.26 -4.77 105.19 106.93 3djk n GLY 127 Ca -0.01 -0.21 -0.36 0.00 0.00 0.00 0.00 46.02 45.45 3djk n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3djk s ALA 128 N -2.20 3.10 0.25 4.61 0.00 -0.64 -4.98 121.76 121.91 3djk s ALA 128 Ca 0.40 -1.05 -0.02 0.00 0.00 0.00 0.00 51.96 51.30 3djk s ALA 128 Cb 0.21 -1.91 0.32 0.00 0.00 0.00 0.00 23.12 21.74 3djk s ALA 128 CO 0.40 -0.29 1.72 -0.44 0.00 0.00 0.00 175.76 177.15 3djk h ASP 129 N 7.80 0.72 -2.74 0.00 3.32 -1.86 0.78 116.42 124.43 3djk h ASP 129 Ca -0.37 -0.20 -0.60 0.00 0.02 0.00 0.00 57.03 55.87 3djk h ASP 129 Cb 1.17 -0.19 -0.16 0.00 0.22 0.00 0.00 39.33 40.37 3djk h ASP 129 CO 0.60 0.85 -0.78 -1.81 -1.72 0.00 0.00 179.24 176.38 3djk s ASP 130 N -6.70 3.35 -0.13 6.45 1.01 -1.26 -2.25 116.67 117.14 3djk s ASP 130 Ca -0.09 -0.96 -0.20 0.00 0.71 0.00 0.00 52.55 52.01 3djk s ASP 130 Cb 0.14 -0.25 -0.04 0.00 1.01 0.00 0.00 42.92 43.78 3djk s ASP 130 CO 0.81 0.04 0.57 -0.89 0.21 0.00 0.00 175.17 175.90 3djk s THR 131 N -2.26 5.12 -0.10 -1.27 2.01 -1.26 -3.60 115.64 114.29 3djk s THR 131 Ca 0.25 1.12 0.00 0.00 0.31 0.00 0.00 61.69 63.38 3djk s THR 131 Cb -0.06 -3.90 0.02 0.00 0.01 0.00 0.00 72.50 68.58 3djk s THR 131 CO 0.12 0.26 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.53 3djk s VAL 132 N 0.98 1.02 0.11 3.82 1.01 -0.47 -1.14 120.40 125.72 3djk s VAL 132 Ca 0.29 -0.33 0.10 0.00 0.00 0.00 0.00 61.98 62.05 3djk s VAL 132 Cb -0.16 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 3djk s VAL 132 CO 0.12 0.36 -0.27 -0.63 0.00 0.00 0.00 175.10 174.68 3djk s ILE 133 N 1.37 2.21 0.83 2.22 -1.09 0.21 -0.80 121.20 126.15 3djk s ILE 133 Ca -0.01 -1.66 -0.11 0.00 -2.23 0.00 0.00 60.65 56.64 3djk s ILE 133 Cb -0.14 -1.94 0.10 0.00 -1.58 0.00 0.00 42.46 38.90 3djk s ILE 133 CO -0.04 0.16 1.14 -1.61 -1.23 0.00 0.00 174.94 173.36 3djk s GLU 134 N -1.84 1.61 -0.18 2.79 2.02 -1.26 -1.51 118.70 120.33 3djk s GLU 134 Ca 0.13 1.49 -0.42 0.00 0.02 0.00 0.00 54.97 56.19 3djk s GLU 134 Cb -0.10 -1.80 -0.19 0.00 0.10 0.00 0.00 34.13 32.14 3djk s GLU 134 CO 0.05 -2.18 1.35 -1.91 0.02 0.00 0.00 175.26 172.59 3djk n GLU 135 N -3.70 0.28 -3.68 1.61 4.07 -1.26 -4.70 120.64 113.27 3djk n GLU 135 Ca 0.11 0.10 -0.07 0.00 -0.06 0.00 0.00 57.16 57.24 3djk n GLU 135 Cb 0.52 -1.64 -0.02 0.00 -0.06 0.00 0.00 31.44 30.24 3djk n GLU 135 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3djk s MET 136 N 1.40 1.38 -0.17 5.31 0.23 -1.26 -5.08 119.30 121.11 3djk s MET 136 Ca 0.95 -0.69 -0.23 0.00 -1.03 0.00 0.00 55.69 54.70 3djk s MET 136 Cb -1.28 0.52 -0.02 0.00 -1.53 0.00 0.00 34.83 32.52 3djk s MET 136 CO 0.64 -0.62 0.71 -1.12 -2.03 0.00 0.00 175.02 172.60 3djk s SER 137 N -2.83 6.82 0.12 -1.18 0.01 -1.26 -5.08 113.70 110.31 3djk s SER 137 Ca 0.08 1.00 0.08 0.00 1.31 0.00 0.00 55.95 58.41 3djk s SER 137 Cb -0.03 -2.39 -0.04 0.00 0.21 0.00 0.00 66.02 63.77 3djk s SER 137 CO -0.01 -0.30 -0.18 -0.76 0.41 0.00 0.00 173.24 172.40 3djk s LEU 138 N 1.86 2.35 0.61 2.44 1.43 -1.26 -4.95 118.68 121.16 3djk s LEU 138 Ca 0.33 -0.75 -0.12 0.00 -1.03 0.00 0.00 54.13 52.56 3djk s LEU 138 Cb -0.16 -0.77 -0.04 0.00 0.03 0.00 0.00 46.19 45.25 3djk s LEU 138 CO 0.12 -0.02 1.03 -2.16 0.23 0.00 0.00 176.35 175.55 3djk s PRO 139 N -2.27 3.57 0.62 1.29 0.04 -1.26 -4.95 135.00 132.04 3djk s PRO 139 Ca 0.08 0.84 0.00 0.00 0.04 0.00 0.00 61.00 61.96 3djk s PRO 139 Cb -0.08 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.38 3djk s PRO 139 CO 0.04 -0.59 0.00 0.41 0.04 0.00 0.00 177.00 176.91 3djk n GLY 140 N -2.33 -1.90 3.87 0.56 0.00 -1.26 -4.94 105.19 99.19 3djk n GLY 140 Ca 0.06 -1.69 -0.30 0.00 0.00 0.00 0.00 46.02 44.09 3djk n GLY 140 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3djk s ARG 141 N 0.00 3.79 0.25 1.61 0.52 -1.26 -5.10 118.95 118.76 3djk s ARG 141 Ca 0.00 0.49 0.08 0.00 -0.52 0.00 0.00 55.73 55.78 3djk s ARG 141 Cb 0.00 -2.38 -0.05 0.00 0.52 0.00 0.00 34.95 33.04 3djk s ARG 141 CO 0.00 -0.04 -0.11 1.67 0.02 0.00 0.00 175.30 176.84 3djk s TRP 142 N -2.38 1.88 0.19 -0.53 1.48 -1.26 -4.57 118.94 113.75 3djk s TRP 142 Ca 0.52 -0.61 0.08 0.00 -1.06 0.00 0.00 56.10 55.03 3djk s TRP 142 Cb -0.10 -0.96 -0.04 0.00 -1.16 0.00 0.00 33.47 31.20 3djk s TRP 142 CO 0.31 0.35 -0.16 0.15 -4.06 0.00 0.00 176.95 173.54 3djk s LYS 143 N -3.67 1.30 0.38 3.25 1.02 -0.41 -4.92 119.74 116.69 3djk s LYS 143 Ca 0.26 -1.50 -0.19 0.00 0.02 0.00 0.00 55.97 54.56 3djk s LYS 143 Cb 0.01 -1.22 -0.10 0.00 -0.52 0.00 0.00 37.83 36.00 3djk s LYS 143 CO 0.10 0.22 0.86 -1.25 -0.92 0.00 0.00 175.35 174.36 3djk s PRO 144 N -3.24 4.14 -0.11 -1.68 0.04 -1.26 -0.57 135.00 132.32 3djk s PRO 144 Ca 0.19 0.94 -0.14 0.00 0.04 0.00 0.00 61.00 62.03 3djk s PRO 144 Cb -0.03 -2.30 0.03 0.00 0.04 0.00 0.00 34.50 32.24 3djk s PRO 144 CO 0.07 0.06 0.37 0.21 0.04 0.00 0.00 177.00 177.74 3djk s LYS 145 N -3.06 0.51 -0.20 4.56 2.20 -1.05 -4.84 119.74 117.86 3djk s LYS 145 Ca 0.58 0.34 -0.07 0.00 -0.36 0.00 0.00 55.97 56.46 3djk s LYS 145 Cb -0.10 0.24 -0.04 0.00 -1.51 0.00 0.00 37.83 36.43 3djk s LYS 145 CO 0.15 -0.09 0.06 -1.64 -0.36 0.00 0.00 175.35 173.47 3djk s MET 146 N -0.22 3.91 0.04 4.03 -1.94 -1.26 -1.11 119.30 122.74 3djk s MET 146 Ca -0.04 -0.37 0.06 0.00 -1.71 0.00 0.00 55.69 53.63 3djk s MET 146 Cb -0.03 -3.24 -0.02 0.00 2.01 0.00 0.00 34.83 33.55 3djk s MET 146 CO 0.02 0.18 -0.18 0.96 -0.01 0.00 0.00 175.02 175.99 3djk s ILE 147 N 0.63 1.42 -0.26 2.53 -4.36 -0.18 -4.96 121.20 116.02 3djk s ILE 147 Ca 0.03 -1.07 -0.04 0.00 -0.26 0.00 0.00 60.65 59.32 3djk s ILE 147 Cb -0.13 -1.24 0.02 0.00 1.25 0.00 0.00 42.46 42.35 3djk s ILE 147 CO 0.01 0.15 -0.01 -0.83 0.24 0.00 0.00 174.94 174.50 3djk s GLY 148 N -1.07 1.68 0.00 6.27 0.00 -1.26 -1.26 107.32 111.68 3djk s GLY 148 Ca 0.05 -1.42 0.00 0.00 0.00 0.00 0.00 44.72 43.35 3djk s GLY 148 CO 0.01 0.55 0.00 0.61 0.00 0.00 0.00 173.10 174.27 3djk n GLY 149 N 4.75 2.79 0.26 0.20 0.00 -0.28 -4.96 105.19 107.94 3djk n GLY 149 Ca -0.16 -2.09 0.03 0.00 0.00 0.00 0.00 46.02 43.81 3djk n GLY 149 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3djk h ILE 150 N 0.10 1.14 -0.02 -0.61 2.10 -2.03 -2.86 117.51 115.33 3djk h ILE 150 Ca 0.00 -0.56 0.00 0.00 1.08 0.00 0.00 64.86 65.38 3djk h ILE 150 Cb 0.00 1.04 0.00 0.00 -1.09 0.00 0.00 36.82 36.77 3djk h ILE 150 CO 0.00 0.18 -0.26 0.61 -1.08 0.00 0.00 178.15 177.61 3djk n GLY 151 N -1.08 0.12 0.00 8.18 0.00 -1.26 -5.07 105.19 106.08 3djk n GLY 151 Ca -0.00 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.44 3djk n GLY 151 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3djk n GLY 152 N 1.35 0.79 3.85 -0.02 0.00 -1.08 -5.10 105.19 104.98 3djk n GLY 152 Ca 0.12 -2.03 -0.36 0.00 0.00 0.00 0.00 46.02 43.75 3djk n GLY 152 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3djk s PHE 153 N -1.36 3.65 0.05 1.61 0.40 -1.26 -1.13 117.98 119.95 3djk s PHE 153 Ca 0.00 0.91 0.01 0.00 -0.60 0.00 0.00 56.93 57.25 3djk s PHE 153 Cb 0.00 -2.24 -0.03 0.00 0.51 0.00 0.00 43.02 41.26 3djk s PHE 153 CO 0.00 0.57 -0.06 0.96 0.70 0.00 0.00 175.22 177.39 3djk s ILE 154 N -1.26 0.45 0.08 0.64 -4.36 -0.39 -4.96 121.20 111.40 3djk s ILE 154 Ca 0.29 -1.40 -0.23 0.00 -0.26 0.00 0.00 60.65 59.05 3djk s ILE 154 Cb -0.15 -0.98 -0.06 0.00 1.25 0.00 0.00 42.46 42.51 3djk s ILE 154 CO 0.16 -0.64 0.69 -0.54 0.24 0.00 0.00 174.94 174.85 3djk s LYS 155 N -2.55 4.42 0.22 0.37 1.02 -1.26 -1.01 119.74 120.95 3djk s LYS 155 Ca -0.02 0.95 0.02 0.00 0.02 0.00 0.00 55.97 56.94 3djk s LYS 155 Cb -0.03 -3.30 -0.05 0.00 -0.52 0.00 0.00 37.83 33.93 3djk s LYS 155 CO -0.03 0.46 0.04 0.14 -0.92 0.00 0.00 175.35 175.04 3djk s VAL 156 N -0.62 0.69 -0.24 3.17 -7.23 -0.27 -4.78 120.40 111.13 3djk s VAL 156 Ca 0.34 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.40 3djk s VAL 156 Cb -0.21 -2.39 -0.05 0.00 0.56 0.00 0.00 36.38 34.29 3djk s VAL 156 CO 0.22 -0.24 0.18 -0.13 -0.31 0.00 0.00 175.10 174.82 3djk s ARG 157 N -3.96 4.08 -0.32 4.82 0.52 -0.14 -2.54 118.95 121.42 3djk s ARG 157 Ca 0.31 -0.23 -0.13 0.00 -0.52 0.00 0.00 55.73 55.15 3djk s ARG 157 Cb 0.07 -3.54 -0.03 0.00 0.52 0.00 0.00 34.95 31.97 3djk s ARG 157 CO 0.09 0.06 0.28 -1.14 0.02 0.00 0.00 175.30 174.60 3djk s GLN 158 N 1.07 3.69 -0.21 3.54 0.74 0.26 -0.43 119.66 128.31 3djk s GLN 158 Ca 0.08 -0.42 -0.05 0.00 0.05 0.00 0.00 55.36 55.02 3djk s GLN 158 Cb -0.14 -3.75 -0.02 0.00 1.10 0.00 0.00 33.01 30.20 3djk s GLN 158 CO 0.05 -0.38 -0.01 0.71 -0.55 0.00 0.00 175.29 175.10 3djk s TYR 159 N 1.85 3.00 0.23 1.67 1.51 -0.36 -1.29 117.35 123.96 3djk s TYR 159 Ca 0.09 -0.65 -0.06 0.00 -1.01 0.00 0.00 57.07 55.44 3djk s TYR 159 Cb -0.17 -2.11 -0.06 0.00 -0.11 0.00 0.00 41.96 39.52 3djk s TYR 159 CO 0.11 -0.38 0.50 -0.51 -1.11 0.00 0.00 175.55 174.17 3djk s ASP 160 N 1.25 6.51 -1.21 2.29 1.01 -1.26 -0.95 116.67 124.31 3djk s ASP 160 Ca 0.03 0.73 -0.03 0.00 0.71 0.00 0.00 52.55 54.00 3djk s ASP 160 Cb -0.15 -2.15 0.00 0.00 1.01 0.00 0.00 42.92 41.64 3djk s ASP 160 CO 0.00 -0.10 1.03 1.67 0.21 0.00 0.00 175.17 177.99 3djk n GLN 161 N -0.45 -6.86 -3.62 8.23 7.27 -1.09 -4.90 117.38 115.95 3djk n GLN 161 Ca -0.01 0.82 -0.36 0.00 0.07 0.00 0.00 57.00 57.52 3djk n GLN 161 Cb 0.53 -5.78 -0.07 0.00 2.41 0.00 0.00 30.24 27.32 3djk n GLN 161 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 3djk s ILE 162 N -3.34 5.33 -0.05 1.69 -1.09 -0.05 -4.70 121.20 119.00 3djk s ILE 162 Ca 0.18 0.44 -0.30 0.00 -2.23 0.00 0.00 60.65 58.74 3djk s ILE 162 Cb -0.08 -3.57 -0.04 0.00 -1.58 0.00 0.00 42.46 37.19 3djk s ILE 162 CO 0.71 0.44 1.27 -0.63 -1.23 0.00 0.00 174.94 175.50 3djk s ILE 163 N 0.16 4.09 -0.01 2.92 1.01 -1.26 -1.36 121.20 126.75 3djk s ILE 163 Ca 0.15 1.42 -0.02 0.00 0.00 0.00 0.00 60.65 62.20 3djk s ILE 163 Cb -0.13 -3.91 -0.00 0.00 0.01 0.00 0.00 42.46 38.43 3djk s ILE 163 CO 0.03 -0.02 0.04 -0.51 0.00 0.00 0.00 174.94 174.49 3djk s ILE 164 N 2.42 0.04 -0.11 2.92 2.07 -0.33 -4.47 121.20 123.73 3djk s ILE 164 Ca 0.58 -0.34 -0.02 0.00 -1.41 0.00 0.00 60.65 59.47 3djk s ILE 164 Cb -0.26 -0.18 -0.03 0.00 0.13 0.00 0.00 42.46 42.12 3djk s ILE 164 CO 0.23 -0.18 -0.04 -1.61 -1.91 0.00 0.00 174.94 171.43 3djk s GLU 165 N -0.56 3.22 -0.22 3.50 2.02 -0.40 -0.73 118.70 125.53 3djk s GLU 165 Ca -0.06 -0.50 0.00 0.00 0.02 0.00 0.00 54.97 54.44 3djk s GLU 165 Cb -0.04 -2.79 0.06 0.00 0.10 0.00 0.00 34.13 31.46 3djk s GLU 165 CO -0.00 0.49 -0.05 0.42 0.02 0.00 0.00 175.26 176.14 3djk s ILE 166 N -0.31 1.45 -1.59 -1.63 1.01 0.37 -0.99 121.20 119.50 3djk s ILE 166 Ca 0.05 -1.11 -0.16 0.00 0.00 0.00 0.00 60.65 59.44 3djk s ILE 166 Cb -0.12 -1.70 0.12 0.00 0.01 0.00 0.00 42.46 40.76 3djk s ILE 166 CO 0.02 -0.06 0.87 0.00 0.00 0.00 0.00 174.94 175.78 3djk n ALA 167 N 4.71 -1.24 -0.39 9.38 0.00 -0.26 -0.83 120.51 131.87 3djk n ALA 167 Ca -0.12 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3djk n ALA 167 Cb 0.45 -4.00 0.00 0.00 0.00 0.00 0.00 19.45 15.90 3djk n ALA 167 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3djk n GLY 168 N -1.53 1.48 3.78 0.00 0.00 -1.26 -5.03 105.19 102.63 3djk n GLY 168 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 3djk n GLY 168 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3djk s HIS 169 N -3.12 3.46 -0.24 1.61 4.02 -0.01 -5.08 115.29 115.93 3djk s HIS 169 Ca 0.00 0.38 -0.28 0.00 1.02 0.00 0.00 55.06 56.18 3djk s HIS 169 Cb 0.00 -2.02 0.01 0.00 -1.02 0.00 0.00 32.58 29.55 3djk s HIS 169 CO 0.00 0.49 0.97 0.21 1.02 0.00 0.00 174.74 177.43 3djk s LYS 170 N -0.37 4.23 0.14 1.40 2.20 -1.26 -0.48 119.74 125.59 3djk s LYS 170 Ca 0.11 1.21 0.06 0.00 -0.36 0.00 0.00 55.97 56.99 3djk s LYS 170 Cb -0.12 -3.65 -0.04 0.00 -1.51 0.00 0.00 37.83 32.52 3djk s LYS 170 CO 0.01 -0.60 -0.14 0.00 -0.36 0.00 0.00 175.35 174.26 3djk s ALA 171 N 3.10 1.60 -0.16 3.13 0.00 0.09 -4.86 121.76 124.66 3djk s ALA 171 Ca 0.41 -1.36 -0.04 0.00 0.00 0.00 0.00 51.96 50.97 3djk s ALA 171 Cb -0.15 -0.08 0.07 0.00 0.00 0.00 0.00 23.12 22.96 3djk s ALA 171 CO 0.07 0.10 0.14 0.42 0.00 0.00 0.00 175.76 176.49 3djk s ILE 172 N -2.28 -0.19 0.00 0.00 1.01 -1.26 -1.19 121.20 117.29 3djk s ILE 172 Ca 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 60.65 60.72 3djk s ILE 172 Cb -0.04 -0.54 0.00 0.00 0.01 0.00 0.00 42.46 41.88 3djk s ILE 172 CO 0.04 -0.17 0.00 0.61 0.00 0.00 0.00 174.94 175.41 3djk n GLY 173 N 5.30 1.27 3.73 6.18 0.00 -0.47 -4.78 105.19 116.42 3djk n GLY 173 Ca -0.06 -0.71 -0.41 0.00 0.00 0.00 0.00 46.02 44.84 3djk n GLY 173 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3djk s THR 174 N -2.31 4.63 -0.11 2.61 2.01 -1.26 -0.87 115.64 120.33 3djk s THR 174 Ca 0.00 1.97 0.03 0.00 0.31 0.00 0.00 61.69 64.00 3djk s THR 174 Cb 0.00 -4.28 0.01 0.00 0.01 0.00 0.00 72.50 68.24 3djk s THR 174 CO 0.00 0.29 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.35 3djk s VAL 175 N 0.20 1.73 -0.11 3.82 1.01 -0.12 -4.56 120.40 122.36 3djk s VAL 175 Ca 0.46 -0.80 -0.14 0.00 0.00 0.00 0.00 61.98 61.51 3djk s VAL 175 Cb -0.22 -1.54 -0.05 0.00 0.00 0.00 0.00 36.38 34.57 3djk s VAL 175 CO 0.28 0.49 0.32 -0.76 0.00 0.00 0.00 175.10 175.43 3djk s LEU 176 N 0.75 4.32 -0.14 3.92 1.43 -0.30 -1.23 118.68 127.43 3djk s LEU 176 Ca -0.11 0.64 -0.03 0.00 -1.03 0.00 0.00 54.13 53.61 3djk s LEU 176 Cb -0.16 -2.43 -0.03 0.00 0.03 0.00 0.00 46.19 43.61 3djk s LEU 176 CO 0.02 0.17 -0.05 -0.69 0.23 0.00 0.00 176.35 176.03 3djk s VAL 177 N -0.03 3.82 -2.04 -1.59 1.01 0.43 -0.62 120.40 121.39 3djk s VAL 177 Ca 0.19 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 61.78 3djk s VAL 177 Cb -0.14 -2.66 0.00 0.00 0.00 0.00 0.00 36.38 33.58 3djk s VAL 177 CO 0.07 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.28 3djk n GLY 178 N 3.40 -1.68 2.57 4.51 0.00 -0.57 -0.96 105.19 112.46 3djk n GLY 178 Ca -0.17 -1.09 -0.41 0.00 0.00 0.00 0.00 46.02 44.35 3djk n GLY 178 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3djk n PRO 179 N -0.28 3.27 -2.49 1.61 -0.04 -1.26 -4.02 135.00 131.79 3djk n PRO 179 Ca 0.00 -2.54 -0.38 0.00 -0.04 0.00 0.00 63.50 60.54 3djk n PRO 179 Cb 0.00 -3.06 -0.04 0.00 -0.04 0.00 0.00 33.50 30.36 3djk n PRO 179 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 3djk s THR 180 N 2.50 3.56 0.33 0.52 -1.32 -1.26 -5.00 115.64 114.96 3djk s THR 180 Ca 0.55 1.36 0.21 0.00 -1.21 0.00 0.00 61.69 62.61 3djk s THR 180 Cb 0.15 -3.78 0.21 0.00 -1.51 0.00 0.00 72.50 67.57 3djk s THR 180 CO -0.07 0.17 1.92 -0.65 -2.21 0.00 0.00 174.62 173.77 3djk h PRO 181 N 3.06 0.00 -4.29 7.08 0.11 -1.98 -3.45 132.00 132.53 3djk h PRO 181 Ca -0.48 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.50 3djk h PRO 181 Cb 1.22 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 32.18 3djk h PRO 181 CO 0.64 0.24 -0.68 0.14 -0.21 0.00 0.00 178.00 178.13 3djk s VAL 182 N -4.04 0.24 0.18 3.15 -7.23 -1.26 -5.13 120.40 106.32 3djk s VAL 182 Ca -0.02 -1.83 -0.31 0.00 -1.81 0.00 0.00 61.98 58.01 3djk s VAL 182 Cb 0.13 -1.60 -0.09 0.00 0.56 0.00 0.00 36.38 35.38 3djk s VAL 182 CO 0.65 -0.92 1.38 0.20 -0.31 0.00 0.00 175.10 176.09 3djk s ASN 183 N -2.95 6.80 -0.14 4.85 0.01 -1.26 -4.84 114.94 117.42 3djk s ASN 183 Ca 0.09 2.44 0.02 0.00 -0.71 0.00 0.00 52.86 54.71 3djk s ASN 183 Cb 0.08 -2.60 0.01 0.00 0.41 0.00 0.00 41.25 39.14 3djk s ASN 183 CO -0.08 -0.62 -0.22 -0.63 -1.51 0.00 0.00 177.10 174.04 3djk s ILE 184 N 0.49 2.05 -0.41 0.60 1.01 0.02 -0.73 121.20 124.22 3djk s ILE 184 Ca 0.61 -0.97 -0.17 0.00 0.00 0.00 0.00 60.65 60.12 3djk s ILE 184 Cb -0.38 -1.82 0.02 0.00 0.01 0.00 0.00 42.46 40.29 3djk s ILE 184 CO 0.36 0.55 0.42 -0.63 0.00 0.00 0.00 174.94 175.63 3djk s ILE 185 N 0.84 5.11 0.42 2.92 -1.09 0.00 -1.37 121.20 128.03 3djk s ILE 185 Ca -0.06 -0.30 0.02 0.00 -2.23 0.00 0.00 60.65 58.08 3djk s ILE 185 Cb -0.15 -4.00 0.08 0.00 -1.58 0.00 0.00 42.46 36.81 3djk s ILE 185 CO -0.02 -0.36 0.57 0.61 -1.23 0.00 0.00 174.94 174.51 3djk n GLY 186 N 5.09 1.19 0.24 6.18 0.00 -1.24 -1.13 105.19 115.52 3djk n GLY 186 Ca -0.08 -2.08 0.07 0.00 0.00 0.00 0.00 46.02 43.93 3djk n GLY 186 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3djk h ARG 187 N 0.00 0.00 -0.70 1.61 3.08 -0.73 -0.73 114.38 116.92 3djk h ARG 187 Ca -0.19 0.00 0.07 0.00 0.07 0.00 0.00 59.98 59.93 3djk h ARG 187 Cb 0.77 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.77 3djk h ARG 187 CO 0.23 0.12 0.46 -2.95 -1.07 0.00 0.00 179.97 176.76 3djk h ASN 188 N 0.00 0.59 0.08 7.04 -1.07 -1.72 -1.25 115.58 119.25 3djk h ASN 188 Ca -0.00 0.01 -0.25 0.00 0.07 0.00 0.00 56.30 56.13 3djk h ASN 188 Cb 0.22 -0.12 -0.05 0.00 -2.07 0.00 0.00 38.32 36.30 3djk h ASN 188 CO 0.02 0.37 -2.18 0.18 0.07 0.00 0.00 177.43 175.89 3djk n LEU 189 N -4.48 0.10 -0.18 6.14 4.77 -0.73 -4.07 117.00 118.55 3djk n LEU 189 Ca 0.11 0.05 0.01 0.00 -0.03 0.00 0.00 56.01 56.14 3djk n LEU 189 Cb 0.27 0.32 0.27 0.00 -2.33 0.00 0.00 43.42 41.94 3djk n LEU 189 CO 0.33 0.33 1.21 -0.07 -1.33 0.00 0.00 177.39 177.86 3djk h LEU 190 N 0.00 0.80 -1.03 2.23 3.38 -0.94 -1.47 115.31 118.28 3djk h LEU 190 Ca -0.36 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.50 3djk h LEU 190 Cb 1.84 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 42.38 3djk h LEU 190 CO 0.02 0.60 -0.12 0.71 0.09 0.00 0.00 178.44 179.74 3djk h THR 191 N 0.94 1.24 -0.03 0.22 1.35 -1.41 -1.46 112.91 113.75 3djk h THR 191 Ca 0.25 -1.05 -0.07 0.00 -0.55 0.00 0.00 66.41 64.98 3djk h THR 191 Cb -0.08 1.12 -0.01 0.00 -1.73 0.00 0.00 68.15 67.46 3djk h THR 191 CO -0.05 0.35 -0.31 1.56 -0.25 0.00 0.00 175.52 176.82 3djk h GLN 192 N 0.51 0.06 -0.13 4.72 4.20 -1.43 -2.38 115.11 120.67 3djk h GLN 192 Ca 0.09 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.78 3djk h GLN 192 Cb 0.51 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.29 3djk h GLN 192 CO 0.03 0.37 0.00 0.44 -0.67 0.00 0.00 178.83 179.00 3djk n ILE 193 N -4.15 0.16 -1.62 2.54 -5.35 -0.99 -4.94 119.36 105.01 3djk n ILE 193 Ca -0.02 -0.37 0.00 0.00 -0.27 0.00 0.00 62.75 62.10 3djk n ILE 193 Cb 0.37 0.55 0.00 0.00 -1.74 0.00 0.00 39.64 38.82 3djk n ILE 193 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3djk n GLY 194 N 1.20 0.40 3.78 3.28 0.00 -0.90 -5.03 105.19 107.93 3djk n GLY 194 Ca 0.17 -0.94 -0.37 0.00 0.00 0.00 0.00 46.02 44.88 3djk n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3djk s ALA 195 N -2.00 3.27 0.12 4.61 0.00 -0.58 -5.03 121.76 122.15 3djk s ALA 195 Ca 0.00 0.45 0.03 0.00 0.00 0.00 0.00 51.96 52.44 3djk s ALA 195 Cb 0.00 -3.10 -0.04 0.00 0.00 0.00 0.00 23.12 19.97 3djk s ALA 195 CO 0.00 0.21 -0.07 0.95 0.00 0.00 0.00 175.76 176.85 3djk s THR 196 N -1.54 0.84 -0.12 0.00 -4.23 -1.26 -4.71 115.64 104.62 3djk s THR 196 Ca 0.47 -1.98 -0.07 0.00 -1.18 0.00 0.00 61.69 58.94 3djk s THR 196 Cb -0.19 -1.75 -0.04 0.00 1.34 0.00 0.00 72.50 71.86 3djk s THR 196 CO 0.24 -0.82 0.13 -0.22 -0.54 0.00 0.00 174.62 173.41 3djk s LEU 197 N -3.09 4.32 -0.01 4.79 2.96 -1.26 -5.09 118.68 121.30 3djk s LEU 197 Ca 0.14 0.44 0.02 0.00 -0.22 0.00 0.00 54.13 54.51 3djk s LEU 197 Cb 0.04 -2.05 -0.01 0.00 0.50 0.00 0.00 46.19 44.68 3djk s LEU 197 CO -0.03 0.40 -0.07 0.20 -1.32 0.00 0.00 176.35 175.54 3djk s ASN 198 N -1.00 0.77 0.00 3.68 0.01 -1.26 -5.29 114.94 111.86 3djk s ASN 198 Ca 0.15 -0.12 0.00 0.00 -0.71 0.00 0.00 52.86 52.18 3djk s ASN 198 Cb -0.12 -0.09 0.00 0.00 0.41 0.00 0.00 41.25 41.45 3djk s ASN 198 CO 0.04 0.08 0.00 2.22 -1.51 0.00 0.00 177.10 177.93