#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d4j s GLN 102 N 0.00 3.39 -0.19 0.54 0.74 -1.26 -5.10 119.66 117.78 1d4j s GLN 102 Ca 0.00 -0.64 -0.02 0.00 0.05 0.00 0.00 55.36 54.75 1d4j s GLN 102 Cb 0.00 -2.87 -0.01 0.00 1.10 0.00 0.00 33.01 31.24 1d4j s GLN 102 CO 0.00 -0.03 -0.09 0.42 -0.55 0.00 0.00 175.29 175.03 1d4j s ILE 103 N 1.02 3.08 0.75 -2.34 1.01 -1.26 -5.11 121.20 118.36 1d4j s ILE 103 Ca -0.00 -0.61 -0.09 0.00 0.00 0.00 0.00 60.65 59.95 1d4j s ILE 103 Cb -0.15 -2.36 0.07 0.00 0.01 0.00 0.00 42.46 40.04 1d4j s ILE 103 CO -0.01 0.47 1.09 0.42 0.00 0.00 0.00 174.94 176.92 1d4j s THR 104 N 1.11 2.15 -0.18 2.92 -4.23 -1.26 -5.02 115.64 111.12 1d4j s THR 104 Ca 0.01 -0.15 0.16 0.00 -1.18 0.00 0.00 61.69 60.52 1d4j s THR 104 Cb -0.15 -3.00 0.42 0.00 1.34 0.00 0.00 72.50 71.12 1d4j s THR 104 CO -0.02 0.00 1.31 0.18 -0.54 0.00 0.00 174.62 175.54 1d4j n LEU 105 N -3.11 3.23 0.26 4.79 4.77 -1.26 -4.59 117.00 121.09 1d4j n LEU 105 Ca 0.08 -3.28 0.13 0.00 -0.03 0.00 0.00 56.01 52.92 1d4j n LEU 105 Cb 0.61 -0.52 0.69 0.00 -2.33 0.00 0.00 43.42 41.87 1d4j n LEU 105 CO 0.54 0.87 0.95 -0.50 -1.33 0.00 0.00 177.39 177.92 1d4j h TRP 106 N 0.90 0.00 -3.45 -1.77 4.06 -2.06 -3.43 115.95 110.21 1d4j h TRP 106 Ca 0.04 0.00 -0.36 0.00 2.06 0.00 0.00 58.89 60.63 1d4j h TRP 106 Cb 1.27 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.28 1d4j h TRP 106 CO 0.43 0.13 -0.65 1.14 -3.56 0.00 0.00 178.44 175.92 1d4j s GLN 107 N -3.99 1.29 0.30 0.49 -2.07 -1.26 -5.11 119.66 109.30 1d4j s GLN 107 Ca -0.02 -1.65 -0.30 0.00 -1.82 0.00 0.00 55.36 51.57 1d4j s GLN 107 Cb 0.12 -0.51 -0.12 0.00 -1.09 0.00 0.00 33.01 31.40 1d4j s GLN 107 CO 0.58 -0.12 1.46 0.54 -1.32 0.00 0.00 175.29 176.43 1d4j n ARG 108 N -0.38 2.37 -1.90 9.60 1.74 -1.26 -4.84 116.66 121.98 1d4j n ARG 108 Ca -0.05 0.84 -0.42 0.00 -0.77 0.00 0.00 57.85 57.45 1d4j n ARG 108 Cb 0.64 -2.53 -0.01 0.00 -1.02 0.00 0.00 32.46 29.54 1d4j n ARG 108 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1d4j n PRO 109 N 1.59 2.80 -3.30 5.56 -0.04 -1.26 -4.93 135.00 135.41 1d4j n PRO 109 Ca 0.08 -2.70 -0.38 0.00 -0.04 0.00 0.00 63.50 60.45 1d4j n PRO 109 Cb 0.35 -3.32 -0.06 0.00 -0.04 0.00 0.00 33.50 30.43 1d4j n PRO 109 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1d4j s LEU 110 N 2.85 4.45 0.22 1.53 1.43 -1.26 -1.30 118.68 126.60 1d4j s LEU 110 Ca 0.50 1.11 0.01 0.00 -1.03 0.00 0.00 54.13 54.73 1d4j s LEU 110 Cb 0.11 -2.82 -0.05 0.00 0.03 0.00 0.00 46.19 43.46 1d4j s LEU 110 CO -0.03 0.19 0.07 0.68 0.23 0.00 0.00 176.35 177.49 1d4j s VAL 111 N -0.56 0.50 -0.12 -1.59 -7.23 0.04 -4.95 120.40 106.49 1d4j s VAL 111 Ca 0.28 -1.99 -0.13 0.00 -1.81 0.00 0.00 61.98 58.34 1d4j s VAL 111 Cb -0.18 -2.44 -0.05 0.00 0.56 0.00 0.00 36.38 34.27 1d4j s VAL 111 CO 0.16 -0.16 0.28 -0.89 -0.31 0.00 0.00 175.10 174.19 1d4j s THR 112 N -3.79 5.29 0.24 5.32 2.01 -1.26 -0.99 115.64 122.45 1d4j s THR 112 Ca 0.33 0.54 0.11 0.00 0.31 0.00 0.00 61.69 62.98 1d4j s THR 112 Cb 0.07 -3.60 -0.05 0.00 0.01 0.00 0.00 72.50 68.93 1d4j s THR 112 CO 0.10 0.48 -0.20 0.27 -0.69 0.00 0.00 174.62 174.57 1d4j s ILE 113 N -0.16 2.33 -0.12 1.82 -4.36 0.39 -2.58 121.20 118.51 1d4j s ILE 113 Ca 0.18 -2.26 0.01 0.00 -0.26 0.00 0.00 60.65 58.31 1d4j s ILE 113 Cb -0.14 -2.20 0.02 0.00 1.25 0.00 0.00 42.46 41.39 1d4j s ILE 113 CO 0.06 -0.34 -0.14 -0.75 0.24 0.00 0.00 174.94 174.00 1d4j s LYS 114 N -3.26 2.21 -0.09 0.37 2.20 0.15 -1.31 119.74 120.01 1d4j s LYS 114 Ca 0.26 -0.54 -0.05 0.00 -0.36 0.00 0.00 55.97 55.28 1d4j s LYS 114 Cb -0.05 -1.96 0.04 0.00 -1.51 0.00 0.00 37.83 34.35 1d4j s LYS 114 CO 0.12 -0.14 0.21 -1.50 -0.36 0.00 0.00 175.35 173.68 1d4j s ILE 115 N 1.22 -0.03 -1.56 5.43 2.07 -0.38 -1.20 121.20 126.75 1d4j s ILE 115 Ca -0.01 0.12 -0.05 0.00 -1.41 0.00 0.00 60.65 59.30 1d4j s ILE 115 Cb -0.14 -0.33 0.01 0.00 0.13 0.00 0.00 42.46 42.13 1d4j s ILE 115 CO -0.06 0.05 0.60 0.61 -1.91 0.00 0.00 174.94 174.23 1d4j n GLY 116 N 3.91 -0.52 2.97 1.50 0.00 -1.26 -1.49 105.19 110.29 1d4j n GLY 116 Ca -0.22 0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1d4j n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1d4j n GLY 117 N -1.51 0.48 3.55 -0.02 0.00 -1.26 -5.00 105.19 101.43 1d4j n GLY 117 Ca -0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.61 1d4j n GLY 117 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1d4j s GLN 118 N -0.56 2.16 -0.09 1.61 -0.21 -0.55 -5.11 119.66 116.90 1d4j s GLN 118 Ca 0.00 -0.98 -0.14 0.00 0.02 0.00 0.00 55.36 54.27 1d4j s GLN 118 Cb 0.00 -2.30 -0.05 0.00 1.00 0.00 0.00 33.01 31.66 1d4j s GLN 118 CO 0.00 0.53 0.33 -0.51 -2.12 0.00 0.00 175.29 173.52 1d4j s LEU 119 N -1.91 4.36 0.09 2.90 1.43 -1.26 -1.25 118.68 123.03 1d4j s LEU 119 Ca 0.19 0.71 -0.03 0.00 -1.03 0.00 0.00 54.13 53.97 1d4j s LEU 119 Cb -0.11 -2.44 -0.03 0.00 0.03 0.00 0.00 46.19 43.64 1d4j s LEU 119 CO 0.11 0.23 0.06 -0.54 0.23 0.00 0.00 176.35 176.43 1d4j s LYS 120 N -0.36 0.78 -0.11 1.70 1.02 -0.43 -4.98 119.74 117.36 1d4j s LYS 120 Ca 0.20 -1.22 -0.05 0.00 0.02 0.00 0.00 55.97 54.92 1d4j s LYS 120 Cb -0.14 0.26 -0.04 0.00 -0.52 0.00 0.00 37.83 37.38 1d4j s LYS 120 CO 0.08 -0.20 0.08 -1.21 -0.92 0.00 0.00 175.35 173.18 1d4j s GLU 121 N -3.94 3.24 0.06 1.68 2.02 -1.26 -0.46 118.70 120.04 1d4j s GLU 121 Ca 0.12 -0.25 -0.03 0.00 0.02 0.00 0.00 54.97 54.82 1d4j s GLU 121 Cb 0.07 -3.02 -0.03 0.00 0.10 0.00 0.00 34.13 31.25 1d4j s GLU 121 CO -0.06 0.75 0.04 0.00 0.02 0.00 0.00 175.26 176.00 1d4j s ALA 122 N -0.96 0.27 -0.19 5.21 0.00 -0.16 -4.47 121.76 121.46 1d4j s ALA 122 Ca 0.14 -1.02 -0.09 0.00 0.00 0.00 0.00 51.96 50.99 1d4j s ALA 122 Cb -0.12 0.34 -0.05 0.00 0.00 0.00 0.00 23.12 23.29 1d4j s ALA 122 CO 0.03 -0.41 0.12 -1.17 0.00 0.00 0.00 175.76 174.33 1d4j s LEU 123 N -2.89 4.16 -0.52 0.00 2.96 0.24 -0.78 118.68 121.85 1d4j s LEU 123 Ca 0.06 0.22 -0.28 0.00 -0.22 0.00 0.00 54.13 53.91 1d4j s LEU 123 Cb 0.07 -2.07 0.03 0.00 0.50 0.00 0.00 46.19 44.72 1d4j s LEU 123 CO -0.10 0.19 1.15 -0.76 -1.32 0.00 0.00 176.35 175.51 1d4j s LEU 124 N 0.29 3.59 -0.35 -0.68 1.43 -0.42 -0.55 118.68 121.98 1d4j s LEU 124 Ca 0.08 0.31 0.03 0.00 -1.03 0.00 0.00 54.13 53.51 1d4j s LEU 124 Cb -0.11 -3.39 0.10 0.00 0.03 0.00 0.00 46.19 42.82 1d4j s LEU 124 CO -0.01 -1.33 0.08 -0.62 0.23 0.00 0.00 176.35 174.70 1d4j s ASP 125 N 2.64 4.86 0.30 2.29 -1.08 -0.40 -4.79 116.67 120.49 1d4j s ASP 125 Ca 0.45 -2.13 0.25 0.00 -0.52 0.00 0.00 52.55 50.60 1d4j s ASP 125 Cb -0.07 -1.67 1.04 0.00 -1.46 0.00 0.00 42.92 40.76 1d4j s ASP 125 CO 0.29 -0.41 1.74 0.71 0.52 0.00 0.00 175.17 178.02 1d4j h THR 126 N 6.56 0.00 -0.01 1.71 1.35 -1.93 -2.41 112.91 118.19 1d4j h THR 126 Ca -0.06 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.56 1d4j h THR 126 Cb 1.03 0.99 0.00 0.00 -1.73 0.00 0.00 68.15 68.44 1d4j h THR 126 CO 0.55 0.00 -0.15 0.61 -0.25 0.00 0.00 175.52 176.28 1d4j n GLY 127 N -0.08 -0.74 3.55 5.82 0.00 -1.26 -4.78 105.19 107.70 1d4j n GLY 127 Ca 0.02 -0.33 -0.37 0.00 0.00 0.00 0.00 46.02 45.34 1d4j n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d4j s ALA 128 N -2.43 3.39 0.20 4.61 0.00 -0.91 -4.97 121.76 121.65 1d4j s ALA 128 Ca 0.29 -1.03 -0.07 0.00 0.00 0.00 0.00 51.96 51.14 1d4j s ALA 128 Cb 0.20 -2.24 0.12 0.00 0.00 0.00 0.00 23.12 21.21 1d4j s ALA 128 CO 0.48 -0.38 1.65 -0.44 0.00 0.00 0.00 175.76 177.07 1d4j h ASP 129 N 7.97 0.97 -0.63 0.00 3.32 -1.86 0.74 116.42 126.93 1d4j h ASP 129 Ca -0.37 -0.29 -0.67 0.00 0.02 0.00 0.00 57.03 55.73 1d4j h ASP 129 Cb 1.18 -0.26 -0.13 0.00 0.22 0.00 0.00 39.33 40.34 1d4j h ASP 129 CO 0.60 1.05 -0.53 -1.81 -1.72 0.00 0.00 179.24 176.83 1d4j s ASP 130 N -6.63 4.10 -0.20 6.45 1.01 -1.26 -2.61 116.67 117.53 1d4j s ASP 130 Ca -0.11 -1.58 -0.07 0.00 0.71 0.00 0.00 52.55 51.50 1d4j s ASP 130 Cb 0.14 0.33 -0.04 0.00 1.01 0.00 0.00 42.92 44.36 1d4j s ASP 130 CO 0.85 -0.78 0.07 -0.89 0.21 0.00 0.00 175.17 174.63 1d4j s THR 131 N -2.84 4.67 -0.05 -1.27 2.01 -1.26 -2.99 115.64 113.92 1d4j s THR 131 Ca 0.13 -0.07 0.01 0.00 0.31 0.00 0.00 61.69 62.07 1d4j s THR 131 Cb 0.03 -3.13 0.02 0.00 0.01 0.00 0.00 72.50 69.43 1d4j s THR 131 CO 0.07 0.42 -0.06 0.54 -0.69 0.00 0.00 174.62 174.89 1d4j s VAL 132 N 0.75 0.66 0.24 3.82 0.11 -0.48 -0.80 120.40 124.71 1d4j s VAL 132 Ca 0.04 -0.21 0.11 0.00 -2.93 0.00 0.00 61.98 58.98 1d4j s VAL 132 Cb -0.13 -0.65 -0.05 0.00 -1.53 0.00 0.00 36.38 34.02 1d4j s VAL 132 CO 0.02 0.25 -0.14 -0.76 -3.33 0.00 0.00 175.10 171.14 1d4j s LEU 133 N 0.78 2.78 0.73 2.54 1.43 0.68 -0.71 118.68 126.91 1d4j s LEU 133 Ca -0.12 -0.81 -0.15 0.00 -1.03 0.00 0.00 54.13 52.03 1d4j s LEU 133 Cb -0.14 -1.38 0.04 0.00 0.03 0.00 0.00 46.19 44.74 1d4j s LEU 133 CO 0.01 0.06 1.19 -1.61 0.23 0.00 0.00 176.35 176.23 1d4j s GLU 134 N -3.23 2.18 -0.11 1.70 2.02 -1.26 -1.90 118.70 118.10 1d4j s GLU 134 Ca 0.27 1.68 -0.39 0.00 0.02 0.00 0.00 54.97 56.55 1d4j s GLU 134 Cb -0.07 -1.85 -0.19 0.00 0.10 0.00 0.00 34.13 32.13 1d4j s GLU 134 CO 0.15 -1.78 1.11 -1.91 0.02 0.00 0.00 175.26 172.84 1d4j n GLU 135 N -2.77 0.00 -3.77 1.61 4.07 -1.23 -4.68 120.64 113.87 1d4j n GLU 135 Ca 0.13 0.00 -0.04 0.00 -0.06 0.00 0.00 57.16 57.19 1d4j n GLU 135 Cb 0.51 -1.39 -0.01 0.00 -0.06 0.00 0.00 31.44 30.48 1d4j n GLU 135 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1d4j s MET 136 N 0.65 1.24 -0.22 5.31 0.23 -1.26 -5.05 119.30 120.20 1d4j s MET 136 Ca 0.88 -0.69 -0.10 0.00 -1.03 0.00 0.00 55.69 54.74 1d4j s MET 136 Cb -1.23 0.42 -0.05 0.00 -1.53 0.00 0.00 34.83 32.44 1d4j s MET 136 CO 0.58 -0.57 0.15 0.45 -2.03 0.00 0.00 175.02 173.60 1d4j s SER 137 N -2.96 6.17 0.13 -1.18 0.15 -1.26 -5.06 113.70 109.70 1d4j s SER 137 Ca 0.13 0.19 0.07 0.00 0.70 0.00 0.00 55.95 57.03 1d4j s SER 137 Cb -0.02 -2.10 -0.04 0.00 -1.71 0.00 0.00 66.02 62.16 1d4j s SER 137 CO 0.03 0.13 -0.15 -0.76 1.20 0.00 0.00 173.24 173.68 1d4j s LEU 138 N 0.67 2.41 0.60 3.45 1.43 -1.26 -5.02 118.68 120.96 1d4j s LEU 138 Ca 0.08 -0.82 -0.15 0.00 -1.03 0.00 0.00 54.13 52.21 1d4j s LEU 138 Cb -0.12 -0.64 -0.04 0.00 0.03 0.00 0.00 46.19 45.43 1d4j s LEU 138 CO 0.01 -0.11 1.04 -2.84 0.23 0.00 0.00 176.35 174.68 1d4j s PRO 139 N -2.70 3.38 0.53 1.29 0.02 -1.26 -4.96 135.00 131.30 1d4j s PRO 139 Ca 0.11 1.09 0.00 0.00 0.02 0.00 0.00 61.00 62.22 1d4j s PRO 139 Cb -0.05 -2.05 0.00 0.00 0.02 0.00 0.00 34.50 32.42 1d4j s PRO 139 CO 0.04 -0.75 0.00 0.41 -0.33 0.00 0.00 177.00 176.37 1d4j n GLY 140 N -1.36 -2.23 3.91 0.52 0.00 -1.26 -4.94 105.19 99.83 1d4j n GLY 140 Ca 0.08 -1.62 -0.27 0.00 0.00 0.00 0.00 46.02 44.21 1d4j n GLY 140 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1d4j s ARG 141 N -0.28 3.55 0.22 1.61 0.52 -1.26 -5.10 118.95 118.21 1d4j s ARG 141 Ca 0.00 0.07 0.07 0.00 -0.52 0.00 0.00 55.73 55.35 1d4j s ARG 141 Cb 0.00 -2.47 -0.05 0.00 0.52 0.00 0.00 34.95 32.96 1d4j s ARG 141 CO 0.00 -0.08 -0.12 1.67 0.02 0.00 0.00 175.30 176.79 1d4j s TRP 142 N -2.57 1.74 0.20 -0.53 1.48 -1.26 -4.68 118.94 113.32 1d4j s TRP 142 Ca 0.45 -0.62 0.11 0.00 -1.06 0.00 0.00 56.10 54.98 1d4j s TRP 142 Cb -0.10 -0.86 -0.04 0.00 -1.16 0.00 0.00 33.47 31.30 1d4j s TRP 142 CO 0.41 0.32 -0.22 0.15 -4.06 0.00 0.00 176.95 173.55 1d4j s LYS 143 N -3.67 1.47 0.40 3.25 1.02 -0.53 -4.89 119.74 116.79 1d4j s LYS 143 Ca 0.24 -1.53 -0.20 0.00 0.02 0.00 0.00 55.97 54.50 1d4j s LYS 143 Cb 0.01 -1.68 -0.11 0.00 -0.52 0.00 0.00 37.83 35.53 1d4j s LYS 143 CO 0.08 0.35 0.91 -1.25 -0.92 0.00 0.00 175.35 174.51 1d4j s PRO 144 N -2.85 4.21 -0.06 -1.68 0.04 -1.26 -0.20 135.00 133.20 1d4j s PRO 144 Ca 0.21 1.04 -0.23 0.00 0.04 0.00 0.00 61.00 62.06 1d4j s PRO 144 Cb -0.07 -2.28 0.05 0.00 0.04 0.00 0.00 34.50 32.24 1d4j s PRO 144 CO 0.10 0.03 0.52 0.21 0.04 0.00 0.00 177.00 177.90 1d4j s LYS 145 N -3.05 0.85 -0.11 4.56 2.20 -1.00 -4.85 119.74 118.32 1d4j s LYS 145 Ca 0.59 0.16 0.03 0.00 -0.36 0.00 0.00 55.97 56.40 1d4j s LYS 145 Cb -0.10 0.39 0.00 0.00 -1.51 0.00 0.00 37.83 36.62 1d4j s LYS 145 CO 0.15 -0.24 -0.22 -1.64 -0.36 0.00 0.00 175.35 173.04 1d4j s MET 146 N -1.02 3.08 0.00 4.03 -1.94 -1.26 -0.96 119.30 121.22 1d4j s MET 146 Ca -0.10 -0.85 0.08 0.00 -1.71 0.00 0.00 55.69 53.10 1d4j s MET 146 Cb -0.03 -2.37 -0.02 0.00 2.01 0.00 0.00 34.83 34.42 1d4j s MET 146 CO 0.06 0.13 -0.24 0.96 -0.01 0.00 0.00 175.02 175.92 1d4j s ILE 147 N 0.48 1.90 -0.14 2.53 -4.36 -0.94 -4.98 121.20 115.68 1d4j s ILE 147 Ca -0.15 -1.11 -0.03 0.00 -0.26 0.00 0.00 60.65 59.10 1d4j s ILE 147 Cb -0.17 -1.59 -0.03 0.00 1.25 0.00 0.00 42.46 41.92 1d4j s ILE 147 CO 0.06 0.46 -0.03 -0.83 0.24 0.00 0.00 174.94 174.84 1d4j s GLY 148 N -0.76 1.75 0.00 6.27 0.00 -1.26 -2.09 107.32 111.23 1d4j s GLY 148 Ca 0.09 -0.82 0.00 0.00 0.00 0.00 0.00 44.72 44.00 1d4j s GLY 148 CO -0.00 -0.19 0.00 0.61 0.00 0.00 0.00 173.10 173.52 1d4j n GLY 149 N 3.21 7.44 0.18 0.20 0.00 0.51 -5.00 105.19 111.73 1d4j n GLY 149 Ca -0.18 -2.02 0.03 0.00 0.00 0.00 0.00 46.02 43.85 1d4j n GLY 149 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1d4j h ILE 150 N 0.09 1.20 -0.01 -0.61 3.07 -2.02 -3.15 117.51 116.08 1d4j h ILE 150 Ca 0.00 -1.39 0.00 0.00 1.55 0.00 0.00 64.86 65.02 1d4j h ILE 150 Cb 0.00 1.77 0.00 0.00 -0.27 0.00 0.00 36.82 38.32 1d4j h ILE 150 CO 0.00 0.39 -0.44 0.61 -1.05 0.00 0.00 178.15 177.66 1d4j n GLY 151 N -0.28 -0.47 0.00 0.16 0.00 -1.26 -5.07 105.19 98.26 1d4j n GLY 151 Ca -0.02 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.50 1d4j n GLY 151 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1d4j n GLY 152 N 1.40 0.72 3.57 -0.02 0.00 -1.19 -5.11 105.19 104.56 1d4j n GLY 152 Ca 0.10 -1.70 -0.26 0.00 0.00 0.00 0.00 46.02 44.16 1d4j n GLY 152 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1d4j s PHE 153 N -3.35 2.63 0.04 1.61 0.40 -1.26 -0.36 117.98 117.68 1d4j s PHE 153 Ca 0.00 -0.23 0.01 0.00 -0.60 0.00 0.00 56.93 56.12 1d4j s PHE 153 Cb 0.00 -1.26 -0.03 0.00 0.51 0.00 0.00 43.02 42.24 1d4j s PHE 153 CO 0.00 0.53 -0.06 0.96 0.70 0.00 0.00 175.22 177.36 1d4j s ILE 154 N -1.82 0.41 -0.11 0.64 -4.36 -0.89 -4.99 121.20 110.09 1d4j s ILE 154 Ca 0.26 -1.20 -0.11 0.00 -0.26 0.00 0.00 60.65 59.33 1d4j s ILE 154 Cb -0.08 -0.72 -0.05 0.00 1.25 0.00 0.00 42.46 42.86 1d4j s ILE 154 CO 0.16 -0.53 0.26 -1.59 0.24 0.00 0.00 174.94 173.48 1d4j s LYS 155 N -2.03 3.88 0.25 0.37 -2.85 -1.26 -2.22 119.74 115.87 1d4j s LYS 155 Ca -0.07 0.08 0.03 0.00 -1.00 0.00 0.00 55.97 55.00 1d4j s LYS 155 Cb -0.07 -3.29 -0.05 0.00 -2.06 0.00 0.00 37.83 32.36 1d4j s LYS 155 CO -0.02 0.55 0.03 0.14 0.10 0.00 0.00 175.35 176.16 1d4j s VAL 156 N -0.48 0.92 -0.20 1.79 -7.23 -0.14 -4.57 120.40 110.49 1d4j s VAL 156 Ca 0.17 -2.02 -0.08 0.00 -1.81 0.00 0.00 61.98 58.25 1d4j s VAL 156 Cb -0.13 -2.46 -0.04 0.00 0.56 0.00 0.00 36.38 34.30 1d4j s VAL 156 CO 0.06 -0.21 0.07 -0.13 -0.31 0.00 0.00 175.10 174.58 1d4j s ARG 157 N -3.91 3.93 -0.24 4.82 0.52 0.32 -2.38 118.95 122.00 1d4j s ARG 157 Ca 0.31 -0.36 -0.11 0.00 -0.52 0.00 0.00 55.73 55.05 1d4j s ARG 157 Cb 0.07 -3.25 -0.05 0.00 0.52 0.00 0.00 34.95 32.24 1d4j s ARG 157 CO 0.10 0.18 0.20 -1.14 0.02 0.00 0.00 175.30 174.67 1d4j s GLN 158 N 0.62 4.06 -0.08 3.54 0.74 0.71 -0.66 119.66 128.60 1d4j s GLN 158 Ca 0.03 -0.21 0.03 0.00 0.05 0.00 0.00 55.36 55.27 1d4j s GLN 158 Cb -0.13 -3.56 -0.02 0.00 1.10 0.00 0.00 33.01 30.41 1d4j s GLN 158 CO 0.01 0.00 -0.18 0.71 -0.55 0.00 0.00 175.29 175.29 1d4j s TYR 159 N 1.22 2.65 0.25 1.67 1.51 -0.29 -1.45 117.35 122.91 1d4j s TYR 159 Ca 0.09 -0.57 0.07 0.00 -1.01 0.00 0.00 57.07 55.65 1d4j s TYR 159 Cb -0.14 -1.70 -0.04 0.00 -0.11 0.00 0.00 41.96 39.97 1d4j s TYR 159 CO 0.06 -0.12 0.21 -0.51 -1.11 0.00 0.00 175.55 174.07 1d4j s ASP 160 N -0.09 5.58 -1.34 2.29 1.01 -1.26 -1.02 116.67 121.84 1d4j s ASP 160 Ca -0.03 -0.22 -0.03 0.00 0.71 0.00 0.00 52.55 52.97 1d4j s ASP 160 Cb -0.14 -1.44 -0.00 0.00 1.01 0.00 0.00 42.92 42.35 1d4j s ASP 160 CO 0.04 -0.04 0.55 0.00 0.21 0.00 0.00 175.17 175.93 1d4j n GLN 161 N -1.16 -3.43 -3.65 8.23 6.02 -1.16 -4.92 117.38 117.32 1d4j n GLN 161 Ca -0.08 0.47 -0.36 0.00 -0.01 0.00 0.00 57.00 57.02 1d4j n GLN 161 Cb 0.58 -4.65 -0.07 0.00 1.02 0.00 0.00 30.24 27.12 1d4j n GLN 161 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1d4j s ILE 162 N -3.81 5.33 -0.03 5.09 -1.09 0.06 -4.77 121.20 121.98 1d4j s ILE 162 Ca 0.07 0.44 -0.29 0.00 -2.23 0.00 0.00 60.65 58.64 1d4j s ILE 162 Cb -0.02 -3.56 -0.03 0.00 -1.58 0.00 0.00 42.46 37.27 1d4j s ILE 162 CO 0.86 0.48 0.92 -0.22 -1.23 0.00 0.00 174.94 175.76 1d4j s LEU 163 N -0.10 4.34 -0.09 2.97 2.96 -1.26 -1.67 118.68 125.83 1d4j s LEU 163 Ca 0.15 1.54 -0.05 0.00 -0.22 0.00 0.00 54.13 55.55 1d4j s LEU 163 Cb -0.13 -3.46 0.04 0.00 0.50 0.00 0.00 46.19 43.13 1d4j s LEU 163 CO 0.04 -0.26 0.21 -0.51 -1.32 0.00 0.00 176.35 174.51 1d4j s ILE 164 N 1.11 -0.03 -0.23 6.68 2.07 -0.06 -4.54 121.20 126.20 1d4j s ILE 164 Ca 0.48 0.11 -0.08 0.00 -1.41 0.00 0.00 60.65 59.75 1d4j s ILE 164 Cb -0.20 -0.32 -0.04 0.00 0.13 0.00 0.00 42.46 42.03 1d4j s ILE 164 CO 0.25 0.05 0.09 -0.70 -1.91 0.00 0.00 174.94 172.71 1d4j s GLU 165 N 0.89 3.84 -0.24 3.50 2.12 -0.34 -0.38 118.70 128.09 1d4j s GLU 165 Ca -0.06 -0.39 0.01 0.00 0.36 0.00 0.00 54.97 54.88 1d4j s GLU 165 Cb -0.08 -3.34 0.04 0.00 0.26 0.00 0.00 34.13 31.01 1d4j s GLU 165 CO -0.05 0.01 -0.11 0.42 -0.54 0.00 0.00 175.26 174.98 1d4j s ILE 166 N 1.12 2.43 -1.56 -3.70 1.01 0.81 -0.68 121.20 120.64 1d4j s ILE 166 Ca 0.05 -1.23 -0.14 0.00 0.00 0.00 0.00 60.65 59.33 1d4j s ILE 166 Cb -0.14 -2.26 0.10 0.00 0.01 0.00 0.00 42.46 40.17 1d4j s ILE 166 CO 0.04 0.20 0.95 0.00 0.00 0.00 0.00 174.94 176.12 1d4j n GLY 168 N -1.65 2.78 3.66 0.00 0.00 -1.26 -5.00 105.19 103.73 1d4j n GLY 168 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 1d4j n GLY 168 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1d4j s HIS 169 N -2.13 3.40 0.06 1.61 4.02 0.65 -5.03 115.29 117.86 1d4j s HIS 169 Ca 0.00 1.09 -0.29 0.00 1.02 0.00 0.00 55.06 56.88 1d4j s HIS 169 Cb 0.00 -2.91 -0.05 0.00 -1.02 0.00 0.00 32.58 28.61 1d4j s HIS 169 CO 0.00 -0.21 0.91 0.15 1.02 0.00 0.00 174.74 176.61 1d4j s LYS 170 N 2.04 4.60 0.09 1.40 1.02 -1.26 -0.13 119.74 127.49 1d4j s LYS 170 Ca 0.33 1.33 0.03 0.00 0.02 0.00 0.00 55.97 57.68 1d4j s LYS 170 Cb -0.16 -3.40 -0.03 0.00 -0.52 0.00 0.00 37.83 33.71 1d4j s LYS 170 CO 0.11 0.15 -0.09 0.00 -0.92 0.00 0.00 175.35 174.60 1d4j s ALA 171 N 0.29 1.00 -0.16 5.17 0.00 0.49 -4.94 121.76 123.61 1d4j s ALA 171 Ca 0.46 -1.14 -0.04 0.00 0.00 0.00 0.00 51.96 51.24 1d4j s ALA 171 Cb -0.22 0.05 0.06 0.00 0.00 0.00 0.00 23.12 23.01 1d4j s ALA 171 CO 0.27 -0.07 0.07 0.42 0.00 0.00 0.00 175.76 176.45 1d4j s ILE 172 N -2.46 0.11 0.00 0.00 1.01 -1.26 -0.88 121.20 117.72 1d4j s ILE 172 Ca 0.04 -0.20 0.00 0.00 0.00 0.00 0.00 60.65 60.49 1d4j s ILE 172 Cb -0.03 -0.66 0.00 0.00 0.01 0.00 0.00 42.46 41.78 1d4j s ILE 172 CO -0.01 -0.18 0.00 0.61 0.00 0.00 0.00 174.94 175.36 1d4j n GLY 173 N 5.21 2.19 3.72 6.18 0.00 -0.67 -4.80 105.19 117.02 1d4j n GLY 173 Ca -0.07 -0.83 -0.41 0.00 0.00 0.00 0.00 46.02 44.71 1d4j n GLY 173 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1d4j s THR 174 N -2.80 4.58 -0.05 2.61 2.01 -1.26 -0.76 115.64 119.97 1d4j s THR 174 Ca 0.00 2.07 0.03 0.00 0.31 0.00 0.00 61.69 64.10 1d4j s THR 174 Cb 0.00 -4.32 0.01 0.00 0.01 0.00 0.00 72.50 68.20 1d4j s THR 174 CO 0.00 0.28 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.40 1d4j s VAL 175 N 0.21 1.11 -0.04 3.82 1.01 -0.19 -4.57 120.40 121.74 1d4j s VAL 175 Ca 0.48 -0.50 -0.03 0.00 0.00 0.00 0.00 61.98 61.94 1d4j s VAL 175 Cb -0.23 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.12 1d4j s VAL 175 CO 0.29 0.34 0.11 -0.76 0.00 0.00 0.00 175.10 175.09 1d4j s LEU 176 N 0.44 4.11 -0.08 3.92 1.43 0.02 -1.14 118.68 127.39 1d4j s LEU 176 Ca -0.10 0.28 0.03 0.00 -1.03 0.00 0.00 54.13 53.31 1d4j s LEU 176 Cb -0.13 -2.26 0.01 0.00 0.03 0.00 0.00 46.19 43.84 1d4j s LEU 176 CO 0.03 0.32 -0.16 -0.69 0.23 0.00 0.00 176.35 176.07 1d4j s VAL 177 N -1.15 1.44 -0.01 -1.59 1.01 0.17 -0.23 120.40 120.03 1d4j s VAL 177 Ca 0.21 -0.66 -0.08 0.00 0.00 0.00 0.00 61.98 61.45 1d4j s VAL 177 Cb -0.12 -1.29 0.03 0.00 0.00 0.00 0.00 36.38 35.00 1d4j s VAL 177 CO 0.11 0.42 0.36 0.61 0.00 0.00 0.00 175.10 176.61 1d4j n GLY 178 N 3.71 0.44 2.47 4.51 0.00 -0.80 -0.52 105.19 114.99 1d4j n GLY 178 Ca -0.22 -0.88 -0.16 0.00 0.00 0.00 0.00 46.02 44.77 1d4j n GLY 178 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1d4j n PRO 179 N -0.26 1.66 -3.18 1.61 -0.04 -1.26 -3.57 135.00 129.96 1d4j n PRO 179 Ca 0.01 -1.08 -0.35 0.00 -0.04 0.00 0.00 63.50 62.04 1d4j n PRO 179 Cb 0.16 -2.18 -0.06 0.00 -0.04 0.00 0.00 33.50 31.38 1d4j n PRO 179 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1d4j s THR 180 N 2.84 4.67 0.40 0.52 -1.32 -1.26 -4.97 115.64 116.51 1d4j s THR 180 Ca 0.38 1.10 0.20 0.00 -1.21 0.00 0.00 61.69 62.16 1d4j s THR 180 Cb 0.13 -3.79 0.21 0.00 -1.51 0.00 0.00 72.50 67.54 1d4j s THR 180 CO -0.02 0.16 1.98 -0.65 -2.21 0.00 0.00 174.62 173.88 1d4j h PRO 181 N 3.29 0.00 -3.51 7.08 0.11 -1.98 -3.44 132.00 133.55 1d4j h PRO 181 Ca -0.48 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.57 1d4j h PRO 181 Cb 1.19 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.17 1d4j h PRO 181 CO 0.65 0.20 -0.16 0.14 -0.21 0.00 0.00 178.00 178.63 1d4j s VAL 182 N -4.27 0.09 0.02 3.15 -7.23 -1.26 -5.09 120.40 105.81 1d4j s VAL 182 Ca -0.03 -0.75 -0.30 0.00 -1.81 0.00 0.00 61.98 59.09 1d4j s VAL 182 Cb 0.14 -1.21 -0.05 0.00 0.56 0.00 0.00 36.38 35.81 1d4j s VAL 182 CO 0.65 -0.41 1.28 0.20 -0.31 0.00 0.00 175.10 176.50 1d4j s ASN 183 N -2.81 6.98 -0.13 4.85 0.01 -1.26 -4.70 114.94 117.88 1d4j s ASN 183 Ca 0.03 2.03 0.02 0.00 -0.71 0.00 0.00 52.86 54.23 1d4j s ASN 183 Cb 0.03 -2.57 0.01 0.00 0.41 0.00 0.00 41.25 39.13 1d4j s ASN 183 CO -0.12 -0.59 -0.20 -0.63 -1.51 0.00 0.00 177.10 174.06 1d4j s ILE 184 N 1.73 1.88 -0.39 0.60 1.01 0.11 -0.59 121.20 125.56 1d4j s ILE 184 Ca 0.60 -0.87 -0.15 0.00 0.00 0.00 0.00 60.65 60.23 1d4j s ILE 184 Cb -0.30 -1.68 0.01 0.00 0.01 0.00 0.00 42.46 40.50 1d4j s ILE 184 CO 0.27 0.52 0.34 -0.63 0.00 0.00 0.00 174.94 175.44 1d4j s ILE 185 N 0.93 5.19 0.55 2.92 -1.09 0.28 -1.38 121.20 128.60 1d4j s ILE 185 Ca -0.05 -0.36 0.02 0.00 -2.23 0.00 0.00 60.65 58.02 1d4j s ILE 185 Cb -0.15 -3.91 0.11 0.00 -1.58 0.00 0.00 42.46 36.93 1d4j s ILE 185 CO -0.03 -0.26 0.75 0.61 -1.23 0.00 0.00 174.94 174.79 1d4j n GLY 186 N 5.10 0.96 0.36 6.18 0.00 -1.16 -1.28 105.19 115.35 1d4j n GLY 186 Ca -0.10 -2.06 0.16 0.00 0.00 0.00 0.00 46.02 44.03 1d4j n GLY 186 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1d4j h ARG 187 N 0.00 0.12 -0.59 1.61 3.08 -0.81 -0.96 114.38 116.84 1d4j h ARG 187 Ca -0.25 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 59.82 1d4j h ARG 187 Cb 0.97 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.96 1d4j h ARG 187 CO 0.29 0.08 0.39 -2.95 -1.07 0.00 0.00 179.97 176.70 1d4j h ASN 188 N 0.12 0.61 0.18 7.04 -1.07 -1.77 -1.94 115.58 118.76 1d4j h ASN 188 Ca 0.23 -0.01 -0.29 0.00 0.07 0.00 0.00 56.30 56.30 1d4j h ASN 188 Cb 0.75 -0.15 -0.05 0.00 -2.07 0.00 0.00 38.32 36.80 1d4j h ASN 188 CO -0.03 0.43 -2.10 0.18 0.07 0.00 0.00 177.43 175.98 1d4j n LEU 189 N -4.46 0.27 -0.23 6.14 4.77 -0.75 -4.01 117.00 118.73 1d4j n LEU 189 Ca 0.07 0.13 0.01 0.00 -0.03 0.00 0.00 56.01 56.18 1d4j n LEU 189 Cb 0.11 0.33 0.24 0.00 -2.33 0.00 0.00 43.42 41.77 1d4j n LEU 189 CO 0.35 0.39 1.24 -0.07 -1.33 0.00 0.00 177.39 177.97 1d4j h LEU 190 N 0.00 0.88 -1.10 2.23 3.38 -0.99 -1.23 115.31 118.47 1d4j h LEU 190 Ca -0.40 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.47 1d4j h LEU 190 Cb 2.00 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 42.52 1d4j h LEU 190 CO 0.04 0.63 -0.32 0.71 0.09 0.00 0.00 178.44 179.58 1d4j h THR 191 N 1.03 1.27 -0.11 0.22 1.35 -1.52 -0.80 112.91 114.34 1d4j h THR 191 Ca 0.29 -1.28 -0.08 0.00 -0.55 0.00 0.00 66.41 64.78 1d4j h THR 191 Cb -0.08 1.54 -0.01 0.00 -1.73 0.00 0.00 68.15 67.87 1d4j h THR 191 CO -0.07 0.39 -0.31 1.56 -0.25 0.00 0.00 175.52 176.84 1d4j h GLN 192 N 0.20 0.21 -0.26 4.72 4.20 -1.37 -2.35 115.11 120.45 1d4j h GLN 192 Ca 0.03 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.66 1d4j h GLN 192 Cb 0.67 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.44 1d4j h GLN 192 CO 0.05 0.51 0.00 0.44 -0.67 0.00 0.00 178.83 179.16 1d4j n ILE 193 N -4.12 0.34 -2.54 2.54 -5.35 -1.01 -4.94 119.36 104.29 1d4j n ILE 193 Ca -0.01 -0.50 -0.10 0.00 -0.27 0.00 0.00 62.75 61.87 1d4j n ILE 193 Cb 0.40 0.56 0.01 0.00 -1.74 0.00 0.00 39.64 38.87 1d4j n ILE 193 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1d4j n GLY 194 N 1.26 0.14 3.74 3.28 0.00 -0.89 -5.01 105.19 107.71 1d4j n GLY 194 Ca 0.17 -0.40 -0.40 0.00 0.00 0.00 0.00 46.02 45.38 1d4j n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d4j s THR 196 N -0.35 0.50 -0.12 0.00 -4.23 -1.26 -4.68 115.64 105.49 1d4j s THR 196 Ca 0.43 -1.90 -0.09 0.00 -1.18 0.00 0.00 61.69 58.95 1d4j s THR 196 Cb -0.23 -1.70 -0.04 0.00 1.34 0.00 0.00 72.50 71.86 1d4j s THR 196 CO 0.28 -0.85 0.18 -0.76 -0.54 0.00 0.00 174.62 172.94 1d4j s LEU 197 N -3.02 4.36 0.00 4.79 1.43 -1.26 -5.10 118.68 119.88 1d4j s LEU 197 Ca 0.12 0.49 0.01 0.00 -1.03 0.00 0.00 54.13 53.73 1d4j s LEU 197 Cb 0.06 -2.16 -0.01 0.00 0.03 0.00 0.00 46.19 44.12 1d4j s LEU 197 CO -0.05 0.33 -0.04 0.20 0.23 0.00 0.00 176.35 177.02 1d4j s ASN 198 N -0.67 0.47 0.00 2.29 0.01 -1.26 -5.29 114.94 110.48 1d4j s ASN 198 Ca 0.15 -0.13 0.00 0.00 -0.71 0.00 0.00 52.86 52.17 1d4j s ASN 198 Cb -0.12 -0.03 0.00 0.00 0.41 0.00 0.00 41.25 41.50 1d4j s ASN 198 CO 0.04 0.01 0.00 2.22 -1.51 0.00 0.00 177.10 177.86