#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h5b s GLN 102 N 0.00 2.59 -0.28 0.54 0.74 -1.26 -5.10 119.66 116.89 3h5b s GLN 102 Ca 0.00 -1.16 -0.09 0.00 0.05 0.00 0.00 55.36 54.15 3h5b s GLN 102 Cb 0.00 -3.18 -0.03 0.00 1.10 0.00 0.00 33.01 30.91 3h5b s GLN 102 CO 0.00 -0.56 0.14 0.42 -0.55 0.00 0.00 175.29 174.74 3h5b s ILE 103 N 1.30 4.74 0.79 -2.34 1.01 -1.26 -5.09 121.20 120.35 3h5b s ILE 103 Ca -0.03 -0.16 -0.11 0.00 0.00 0.00 0.00 60.65 60.35 3h5b s ILE 103 Cb -0.19 -3.31 0.08 0.00 0.01 0.00 0.00 42.46 39.06 3h5b s ILE 103 CO -0.01 0.20 1.15 0.42 0.00 0.00 0.00 174.94 176.70 3h5b s THR 104 N 1.66 2.06 -0.15 2.92 -4.23 -1.26 -5.03 115.64 111.60 3h5b s THR 104 Ca 0.06 -0.06 0.18 0.00 -1.18 0.00 0.00 61.69 60.69 3h5b s THR 104 Cb -0.16 -3.00 0.38 0.00 1.34 0.00 0.00 72.50 71.06 3h5b s THR 104 CO 0.07 0.00 1.26 0.18 -0.54 0.00 0.00 174.62 175.58 3h5b n LEU 105 N -3.25 2.94 0.19 4.79 4.77 -1.26 -4.59 117.00 120.60 3h5b n LEU 105 Ca 0.08 -3.12 0.03 0.00 -0.03 0.00 0.00 56.01 52.97 3h5b n LEU 105 Cb 0.61 -0.48 0.39 0.00 -2.33 0.00 0.00 43.42 41.60 3h5b n LEU 105 CO 0.56 0.74 0.76 -0.50 -1.33 0.00 0.00 177.39 177.61 3h5b h TRP 106 N 0.68 0.00 -1.88 -1.77 4.06 -2.06 -3.43 115.95 111.55 3h5b h TRP 106 Ca 0.01 0.00 -0.61 0.00 2.06 0.00 0.00 58.89 60.35 3h5b h TRP 106 Cb 1.17 0.00 -0.12 0.00 -1.00 0.00 0.00 29.16 29.21 3h5b h TRP 106 CO 0.23 0.34 -0.64 -1.59 -3.56 0.00 0.00 178.44 173.22 3h5b s LYS 107 N -4.28 1.95 0.26 0.49 -2.85 -1.26 -5.11 119.74 108.95 3h5b s LYS 107 Ca -0.03 -1.88 -0.31 0.00 -1.00 0.00 0.00 55.97 52.75 3h5b s LYS 107 Cb 0.15 -1.79 -0.12 0.00 -2.06 0.00 0.00 37.83 34.01 3h5b s LYS 107 CO 0.72 0.11 1.64 1.03 0.10 0.00 0.00 175.35 178.94 3h5b s ARG 108 N -3.67 4.12 -1.39 1.78 0.52 -1.26 -4.87 118.95 114.18 3h5b s ARG 108 Ca 0.34 2.59 -0.16 0.00 -0.52 0.00 0.00 55.73 57.98 3h5b s ARG 108 Cb 0.02 -3.04 0.05 0.00 0.52 0.00 0.00 34.95 32.50 3h5b s ARG 108 CO 0.18 -0.67 2.04 -0.35 0.02 0.00 0.00 175.30 176.52 3h5b n PRO 109 N 2.79 2.95 -3.16 3.54 -0.04 -1.26 -4.93 135.00 134.88 3h5b n PRO 109 Ca 0.11 -2.84 -0.39 0.00 -0.04 0.00 0.00 63.50 60.33 3h5b n PRO 109 Cb 0.37 -3.37 -0.06 0.00 -0.04 0.00 0.00 33.50 30.40 3h5b n PRO 109 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3h5b s LEU 110 N 3.01 4.44 0.20 1.53 1.43 -1.26 -1.23 118.68 126.81 3h5b s LEU 110 Ca 0.50 1.24 0.03 0.00 -1.03 0.00 0.00 54.13 54.87 3h5b s LEU 110 Cb 0.10 -2.99 -0.05 0.00 0.03 0.00 0.00 46.19 43.29 3h5b s LEU 110 CO -0.02 0.10 -0.02 0.68 0.23 0.00 0.00 176.35 177.33 3h5b s VAL 111 N -0.27 0.97 0.03 -1.59 -7.23 -0.07 -4.96 120.40 107.26 3h5b s VAL 111 Ca 0.32 -2.03 -0.23 0.00 -1.81 0.00 0.00 61.98 58.23 3h5b s VAL 111 Cb -0.19 -2.22 -0.05 0.00 0.56 0.00 0.00 36.38 34.48 3h5b s VAL 111 CO 0.19 -0.42 0.71 -0.89 -0.31 0.00 0.00 175.10 174.37 3h5b s THR 112 N -3.47 4.80 0.27 5.32 2.01 -1.26 -1.17 115.64 122.14 3h5b s THR 112 Ca 0.26 1.50 0.11 0.00 0.31 0.00 0.00 61.69 63.87 3h5b s THR 112 Cb 0.05 -4.05 -0.05 0.00 0.01 0.00 0.00 72.50 68.46 3h5b s THR 112 CO 0.06 0.38 -0.15 0.27 -0.69 0.00 0.00 174.62 174.49 3h5b s ILE 113 N -0.08 2.74 -0.10 1.82 -4.36 0.71 -1.14 121.20 120.79 3h5b s ILE 113 Ca 0.36 -2.23 0.00 0.00 -0.26 0.00 0.00 60.65 58.52 3h5b s ILE 113 Cb -0.20 -2.44 0.02 0.00 1.25 0.00 0.00 42.46 41.10 3h5b s ILE 113 CO 0.21 -0.36 -0.08 -0.75 0.24 0.00 0.00 174.94 174.20 3h5b s LYS 114 N -3.47 1.47 -0.07 0.37 2.20 -0.27 -1.27 119.74 118.70 3h5b s LYS 114 Ca 0.30 -0.25 -0.03 0.00 -0.36 0.00 0.00 55.97 55.62 3h5b s LYS 114 Cb -0.06 -1.49 0.04 0.00 -1.51 0.00 0.00 37.83 34.82 3h5b s LYS 114 CO 0.16 -0.21 0.16 -1.50 -0.36 0.00 0.00 175.35 173.60 3h5b s ILE 115 N 1.51 -0.04 -1.70 5.43 2.07 -0.54 -1.04 121.20 126.89 3h5b s ILE 115 Ca 0.01 0.16 -0.00 0.00 -1.41 0.00 0.00 60.65 59.41 3h5b s ILE 115 Cb -0.13 -0.26 0.00 0.00 0.13 0.00 0.00 42.46 42.20 3h5b s ILE 115 CO -0.06 0.07 0.03 0.61 -1.91 0.00 0.00 174.94 173.68 3h5b n GLY 116 N 4.11 -0.50 2.92 1.50 0.00 -1.26 -1.44 105.19 110.52 3h5b n GLY 116 Ca -0.25 0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.77 3h5b n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h5b n GLY 117 N -1.02 0.69 3.61 -0.02 0.00 -1.26 -5.00 105.19 102.19 3h5b n GLY 117 Ca -0.23 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.45 3h5b n GLY 117 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3h5b s GLN 118 N -0.26 2.94 0.08 1.61 -0.21 -0.52 -5.10 119.66 118.20 3h5b s GLN 118 Ca 0.00 -0.49 -0.24 0.00 0.02 0.00 0.00 55.36 54.64 3h5b s GLN 118 Cb 0.00 -2.70 -0.06 0.00 1.00 0.00 0.00 33.01 31.25 3h5b s GLN 118 CO 0.00 0.63 0.74 -0.51 -2.12 0.00 0.00 175.29 174.03 3h5b s LEU 119 N -0.71 4.50 0.09 2.90 1.43 -1.26 -1.47 118.68 124.16 3h5b s LEU 119 Ca 0.11 1.47 -0.01 0.00 -1.03 0.00 0.00 54.13 54.67 3h5b s LEU 119 Cb -0.11 -3.20 -0.04 0.00 0.03 0.00 0.00 46.19 42.87 3h5b s LEU 119 CO 0.02 0.11 0.01 -0.54 0.23 0.00 0.00 176.35 176.17 3h5b s LYS 120 N -0.50 0.76 -0.06 1.70 1.02 -0.40 -4.99 119.74 117.27 3h5b s LYS 120 Ca 0.36 -1.32 -0.08 0.00 0.02 0.00 0.00 55.97 54.95 3h5b s LYS 120 Cb -0.21 0.23 -0.04 0.00 -0.52 0.00 0.00 37.83 37.28 3h5b s LYS 120 CO 0.23 -0.18 0.22 -2.00 -0.92 0.00 0.00 175.35 172.70 3h5b s GLU 121 N -3.98 3.56 0.04 1.68 2.56 -1.26 -0.21 118.70 121.09 3h5b s GLU 121 Ca 0.15 -0.03 -0.09 0.00 0.00 0.00 0.00 54.97 55.00 3h5b s GLU 121 Cb 0.08 -3.16 0.00 0.00 2.00 0.00 0.00 34.13 33.05 3h5b s GLU 121 CO -0.05 0.73 0.18 0.00 -0.56 0.00 0.00 175.26 175.56 3h5b s ALA 122 N -1.12 -0.31 -0.20 6.30 0.00 -0.32 -4.42 121.76 121.69 3h5b s ALA 122 Ca 0.20 -0.33 -0.13 0.00 0.00 0.00 0.00 51.96 51.70 3h5b s ALA 122 Cb -0.13 0.28 -0.04 0.00 0.00 0.00 0.00 23.12 23.23 3h5b s ALA 122 CO 0.09 -0.36 0.28 -1.17 0.00 0.00 0.00 175.76 174.61 3h5b s LEU 123 N -2.12 4.17 -0.28 0.00 2.96 0.26 -0.89 118.68 122.77 3h5b s LEU 123 Ca -0.05 0.37 -0.29 0.00 -0.22 0.00 0.00 54.13 53.95 3h5b s LEU 123 Cb -0.01 -2.33 0.00 0.00 0.50 0.00 0.00 46.19 44.36 3h5b s LEU 123 CO -0.04 0.03 1.24 -0.76 -1.32 0.00 0.00 176.35 175.50 3h5b s LEU 124 N 0.96 3.94 -0.36 -0.68 1.43 -0.36 -0.71 118.68 122.89 3h5b s LEU 124 Ca 0.14 1.24 0.01 0.00 -1.03 0.00 0.00 54.13 54.50 3h5b s LEU 124 Cb -0.14 -3.54 0.11 0.00 0.03 0.00 0.00 46.19 42.65 3h5b s LEU 124 CO 0.05 -0.99 0.14 -0.62 0.23 0.00 0.00 176.35 175.16 3h5b s ASP 125 N 2.40 4.08 0.29 2.29 -1.08 -0.19 -4.79 116.67 119.67 3h5b s ASP 125 Ca 0.53 -2.08 0.25 0.00 -0.52 0.00 0.00 52.55 50.74 3h5b s ASP 125 Cb -0.16 -1.09 0.97 0.00 -1.46 0.00 0.00 42.92 41.18 3h5b s ASP 125 CO 0.20 -0.36 1.75 0.71 0.52 0.00 0.00 175.17 177.99 3h5b h THR 126 N 6.12 0.00 -0.12 1.71 1.35 -1.94 -2.12 112.91 117.91 3h5b h THR 126 Ca -0.08 -0.34 0.00 0.00 -0.55 0.00 0.00 66.41 65.44 3h5b h THR 126 Cb 0.99 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 68.57 3h5b h THR 126 CO 0.49 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.37 3h5b n GLY 127 N 0.31 -0.10 3.55 5.82 0.00 -1.26 -4.81 105.19 108.70 3h5b n GLY 127 Ca 0.03 -0.32 -0.35 0.00 0.00 0.00 0.00 46.02 45.37 3h5b n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h5b s ALA 128 N -1.85 3.25 0.27 4.61 0.00 -0.80 -4.99 121.76 122.26 3h5b s ALA 128 Ca 0.30 -0.86 0.05 0.00 0.00 0.00 0.00 51.96 51.45 3h5b s ALA 128 Cb 0.16 -1.88 0.38 0.00 0.00 0.00 0.00 23.12 21.78 3h5b s ALA 128 CO 0.24 0.01 1.65 -0.44 0.00 0.00 0.00 175.76 177.23 3h5b h ASP 129 N 7.10 0.30 -3.58 0.00 3.32 -1.87 0.05 116.42 121.73 3h5b h ASP 129 Ca -0.36 -0.14 -0.53 0.00 0.02 0.00 0.00 57.03 56.03 3h5b h ASP 129 Cb 1.18 -0.08 -0.18 0.00 0.22 0.00 0.00 39.33 40.46 3h5b h ASP 129 CO 0.65 0.71 -0.79 -1.81 -1.72 0.00 0.00 179.24 176.29 3h5b s ASP 130 N -6.88 2.70 -0.12 6.45 1.01 -1.26 -2.46 116.67 116.11 3h5b s ASP 130 Ca -0.05 -0.85 -0.21 0.00 0.71 0.00 0.00 52.55 52.16 3h5b s ASP 130 Cb 0.13 -0.16 -0.04 0.00 1.01 0.00 0.00 42.92 43.86 3h5b s ASP 130 CO 0.78 -0.02 0.59 -0.89 0.21 0.00 0.00 175.17 175.84 3h5b s THR 131 N -1.97 5.10 -0.10 -1.27 2.01 -1.26 -3.43 115.64 114.71 3h5b s THR 131 Ca 0.15 1.17 -0.00 0.00 0.31 0.00 0.00 61.69 63.32 3h5b s THR 131 Cb -0.06 -3.92 0.02 0.00 0.01 0.00 0.00 72.50 68.55 3h5b s THR 131 CO 0.07 0.25 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.49 3h5b s VAL 132 N 0.99 0.93 -0.02 3.82 1.01 -0.38 -0.95 120.40 125.80 3h5b s VAL 132 Ca 0.30 -0.24 0.07 0.00 0.00 0.00 0.00 61.98 62.12 3h5b s VAL 132 Cb -0.16 -0.96 -0.02 0.00 0.00 0.00 0.00 36.38 35.25 3h5b s VAL 132 CO 0.13 0.35 -0.23 -0.63 0.00 0.00 0.00 175.10 174.71 3h5b s ILE 133 N 1.63 1.86 0.87 2.22 -1.09 0.33 -0.65 121.20 126.38 3h5b s ILE 133 Ca 0.03 -1.00 -0.12 0.00 -2.23 0.00 0.00 60.65 57.33 3h5b s ILE 133 Cb -0.13 -1.55 0.12 0.00 -1.58 0.00 0.00 42.46 39.32 3h5b s ILE 133 CO -0.07 0.53 1.17 -0.62 -1.23 0.00 0.00 174.94 174.72 3h5b n GLU 134 N 2.56 -0.17 -1.60 2.79 1.02 -1.26 -2.19 120.64 121.79 3h5b n GLU 134 Ca -0.16 0.03 -0.53 0.00 -0.02 0.00 0.00 57.16 56.48 3h5b n GLU 134 Cb 0.52 -2.41 -0.06 0.00 -0.02 0.00 0.00 31.44 29.47 3h5b n GLU 134 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 3h5b n GLU 135 N -3.82 1.07 -3.79 3.49 4.07 -1.26 -4.73 120.64 115.67 3h5b n GLU 135 Ca 0.13 0.39 -0.07 0.00 -0.06 0.00 0.00 57.16 57.54 3h5b n GLU 135 Cb 0.51 -2.03 -0.02 0.00 -0.06 0.00 0.00 31.44 29.85 3h5b n GLU 135 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3h5b s MET 136 N 0.78 1.64 -0.08 5.31 0.23 -1.26 -5.08 119.30 120.84 3h5b s MET 136 Ca 0.86 -0.87 -0.14 0.00 -1.03 0.00 0.00 55.69 54.51 3h5b s MET 136 Cb -0.99 0.58 -0.05 0.00 -1.53 0.00 0.00 34.83 32.84 3h5b s MET 136 CO 0.50 -0.75 0.36 -1.54 -2.03 0.00 0.00 175.02 171.56 3h5b s SER 137 N -2.89 6.64 0.11 -1.18 1.04 -1.26 -5.07 113.70 111.07 3h5b s SER 137 Ca 0.10 0.76 0.06 0.00 0.48 0.00 0.00 55.95 57.34 3h5b s SER 137 Cb -0.05 -2.22 -0.03 0.00 0.10 0.00 0.00 66.02 63.82 3h5b s SER 137 CO 0.04 0.20 -0.14 -0.76 0.98 0.00 0.00 173.24 173.55 3h5b s LEU 138 N -0.26 2.36 0.60 2.42 1.43 -1.26 -4.96 118.68 119.00 3h5b s LEU 138 Ca 0.21 -0.75 -0.14 0.00 -1.03 0.00 0.00 54.13 52.42 3h5b s LEU 138 Cb -0.15 -0.56 -0.04 0.00 0.03 0.00 0.00 46.19 45.47 3h5b s LEU 138 CO 0.09 -0.11 1.03 -2.16 0.23 0.00 0.00 176.35 175.43 3h5b s PRO 139 N -2.35 3.46 0.53 1.29 0.04 -1.26 -4.96 135.00 131.76 3h5b s PRO 139 Ca 0.06 1.01 0.00 0.00 0.04 0.00 0.00 61.00 62.10 3h5b s PRO 139 Cb -0.07 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.41 3h5b s PRO 139 CO 0.03 -0.68 0.00 0.41 0.04 0.00 0.00 177.00 176.80 3h5b n GLY 140 N -1.65 -2.07 3.89 0.56 0.00 -1.26 -4.94 105.19 99.72 3h5b n GLY 140 Ca 0.07 -1.69 -0.29 0.00 0.00 0.00 0.00 46.02 44.11 3h5b n GLY 140 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h5b s ARG 141 N -0.12 3.69 0.28 1.61 0.52 -1.26 -5.09 118.95 118.59 3h5b s ARG 141 Ca 0.00 0.27 0.11 0.00 -0.52 0.00 0.00 55.73 55.59 3h5b s ARG 141 Cb 0.00 -2.47 -0.05 0.00 0.52 0.00 0.00 34.95 32.94 3h5b s ARG 141 CO 0.00 0.02 -0.17 1.67 0.02 0.00 0.00 175.30 176.84 3h5b s TRP 142 N -2.34 2.23 0.17 -0.53 1.48 -1.26 -4.60 118.94 114.09 3h5b s TRP 142 Ca 0.48 -0.41 0.10 0.00 -1.06 0.00 0.00 56.10 55.21 3h5b s TRP 142 Cb -0.10 -1.05 -0.04 0.00 -1.16 0.00 0.00 33.47 31.11 3h5b s TRP 142 CO 0.33 0.63 -0.21 0.15 -4.06 0.00 0.00 176.95 173.79 3h5b s LYS 143 N -3.56 1.37 0.48 3.25 1.02 -0.50 -4.91 119.74 116.90 3h5b s LYS 143 Ca 0.30 -1.44 -0.19 0.00 0.02 0.00 0.00 55.97 54.66 3h5b s LYS 143 Cb -0.03 -1.56 -0.09 0.00 -0.52 0.00 0.00 37.83 35.64 3h5b s LYS 143 CO 0.14 0.33 0.98 -1.25 -0.92 0.00 0.00 175.35 174.63 3h5b s PRO 144 N -2.67 4.01 -0.18 -1.68 0.04 -1.26 -0.70 135.00 132.56 3h5b s PRO 144 Ca 0.17 1.07 -0.16 0.00 0.04 0.00 0.00 61.00 62.13 3h5b s PRO 144 Cb -0.07 -2.14 0.05 0.00 0.04 0.00 0.00 34.50 32.37 3h5b s PRO 144 CO 0.08 -0.22 0.47 0.21 0.04 0.00 0.00 177.00 177.58 3h5b s LYS 145 N -3.63 0.54 -0.10 4.56 2.47 -1.13 -4.83 119.74 117.61 3h5b s LYS 145 Ca 0.61 0.68 -0.00 0.00 -1.56 0.00 0.00 55.97 55.70 3h5b s LYS 145 Cb -0.10 0.25 -0.02 0.00 -1.46 0.00 0.00 37.83 36.49 3h5b s LYS 145 CO 0.23 -0.07 -0.09 -1.64 0.16 0.00 0.00 175.35 173.94 3h5b s MET 146 N 0.36 3.13 0.04 4.03 -1.94 -1.26 -1.06 119.30 122.59 3h5b s MET 146 Ca -0.01 -0.60 0.06 0.00 -1.71 0.00 0.00 55.69 53.44 3h5b s MET 146 Cb -0.04 -2.66 -0.02 0.00 2.01 0.00 0.00 34.83 34.12 3h5b s MET 146 CO -0.01 0.43 -0.18 0.96 -0.01 0.00 0.00 175.02 176.22 3h5b s ILE 147 N -0.18 1.40 -0.30 2.53 -4.36 -0.64 -4.97 121.20 114.68 3h5b s ILE 147 Ca 0.02 -1.07 -0.05 0.00 -0.26 0.00 0.00 60.65 59.29 3h5b s ILE 147 Cb -0.13 -1.23 0.03 0.00 1.25 0.00 0.00 42.46 42.38 3h5b s ILE 147 CO 0.03 0.13 0.05 -0.83 0.24 0.00 0.00 174.94 174.56 3h5b s GLY 148 N -1.10 1.77 0.00 6.27 0.00 -1.26 -1.12 107.32 111.89 3h5b s GLY 148 Ca 0.05 -1.62 0.00 0.00 0.00 0.00 0.00 44.72 43.15 3h5b s GLY 148 CO 0.01 0.68 0.00 0.61 0.00 0.00 0.00 173.10 174.40 3h5b n GLY 149 N 4.76 2.81 0.29 0.20 0.00 -0.23 -4.94 105.19 108.08 3h5b n GLY 149 Ca -0.14 -2.06 0.01 0.00 0.00 0.00 0.00 46.02 43.83 3h5b n GLY 149 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3h5b h ILE 150 N 0.04 1.16 -0.03 -0.61 2.10 -2.03 -2.61 117.51 115.54 3h5b h ILE 150 Ca 0.00 -0.52 0.00 0.00 1.08 0.00 0.00 64.86 65.42 3h5b h ILE 150 Cb 0.00 0.71 0.00 0.00 -1.09 0.00 0.00 36.82 36.44 3h5b h ILE 150 CO 0.00 0.20 0.00 0.61 -1.08 0.00 0.00 178.15 177.88 3h5b n GLY 151 N -1.15 0.67 0.00 8.18 0.00 -1.26 -5.06 105.19 106.57 3h5b n GLY 151 Ca 0.03 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.44 3h5b n GLY 151 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h5b n GLY 152 N 1.29 0.78 3.85 -0.02 0.00 -0.98 -5.10 105.19 105.00 3h5b n GLY 152 Ca 0.16 -2.12 -0.36 0.00 0.00 0.00 0.00 46.02 43.70 3h5b n GLY 152 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h5b s PHE 153 N -1.02 3.65 0.07 1.61 0.40 -1.26 -1.07 117.98 120.36 3h5b s PHE 153 Ca 0.00 0.96 0.02 0.00 -0.60 0.00 0.00 56.93 57.31 3h5b s PHE 153 Cb 0.00 -2.28 -0.03 0.00 0.51 0.00 0.00 43.02 41.21 3h5b s PHE 153 CO 0.00 0.53 -0.07 0.96 0.70 0.00 0.00 175.22 177.34 3h5b s ILE 154 N -1.32 0.61 0.07 0.64 -4.36 -0.27 -4.98 121.20 111.60 3h5b s ILE 154 Ca 0.32 -1.59 -0.21 0.00 -0.26 0.00 0.00 60.65 58.91 3h5b s ILE 154 Cb -0.15 -1.25 -0.07 0.00 1.25 0.00 0.00 42.46 42.25 3h5b s ILE 154 CO 0.17 -0.68 0.64 -0.54 0.24 0.00 0.00 174.94 174.77 3h5b s LYS 155 N -2.94 4.33 0.21 0.37 1.02 -1.26 -1.63 119.74 119.85 3h5b s LYS 155 Ca 0.03 0.85 0.01 0.00 0.02 0.00 0.00 55.97 56.89 3h5b s LYS 155 Cb -0.01 -3.28 -0.05 0.00 -0.52 0.00 0.00 37.83 33.98 3h5b s LYS 155 CO -0.03 0.53 0.05 0.14 -0.92 0.00 0.00 175.35 175.12 3h5b s VAL 156 N -0.80 0.58 -0.25 3.17 -7.23 -0.23 -4.76 120.40 110.89 3h5b s VAL 156 Ca 0.32 -1.99 -0.10 0.00 -1.81 0.00 0.00 61.98 58.40 3h5b s VAL 156 Cb -0.20 -2.35 -0.05 0.00 0.56 0.00 0.00 36.38 34.34 3h5b s VAL 156 CO 0.20 -0.26 0.16 -0.13 -0.31 0.00 0.00 175.10 174.76 3h5b s ARG 157 N -3.98 4.02 -0.28 4.82 0.52 -0.19 -2.84 118.95 121.01 3h5b s ARG 157 Ca 0.30 -0.29 -0.13 0.00 -0.52 0.00 0.00 55.73 55.09 3h5b s ARG 157 Cb 0.07 -3.54 -0.04 0.00 0.52 0.00 0.00 34.95 31.96 3h5b s ARG 157 CO 0.08 0.01 0.27 -1.14 0.02 0.00 0.00 175.30 174.54 3h5b s GLN 158 N 1.20 3.94 -0.16 3.54 0.74 0.12 -0.72 119.66 128.31 3h5b s GLN 158 Ca 0.07 -0.19 -0.02 0.00 0.05 0.00 0.00 55.36 55.27 3h5b s GLN 158 Cb -0.14 -3.67 -0.02 0.00 1.10 0.00 0.00 33.01 30.28 3h5b s GLN 158 CO 0.06 -0.25 -0.08 0.71 -0.55 0.00 0.00 175.29 175.18 3h5b s TYR 159 N 1.89 2.91 0.17 1.67 1.51 -0.42 -1.41 117.35 123.68 3h5b s TYR 159 Ca 0.10 -0.65 0.02 0.00 -1.01 0.00 0.00 57.07 55.53 3h5b s TYR 159 Cb -0.16 -1.95 -0.04 0.00 -0.11 0.00 0.00 41.96 39.70 3h5b s TYR 159 CO 0.11 -0.27 0.32 -0.51 -1.11 0.00 0.00 175.55 174.09 3h5b s ASP 160 N 0.71 6.35 -1.33 2.29 1.01 -1.26 -0.85 116.67 123.58 3h5b s ASP 160 Ca -0.04 0.24 -0.07 0.00 0.71 0.00 0.00 52.55 53.39 3h5b s ASP 160 Cb -0.15 -1.94 0.01 0.00 1.01 0.00 0.00 42.92 41.85 3h5b s ASP 160 CO 0.02 0.02 1.15 1.67 0.21 0.00 0.00 175.17 178.24 3h5b n GLN 161 N -0.62 -7.72 -3.36 8.23 7.27 -1.11 -4.90 117.38 115.17 3h5b n GLN 161 Ca -0.06 0.83 -0.38 0.00 0.07 0.00 0.00 57.00 57.46 3h5b n GLN 161 Cb 0.54 -5.88 -0.06 0.00 2.41 0.00 0.00 30.24 27.25 3h5b n GLN 161 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 3h5b s ILE 162 N -3.33 5.05 -0.10 1.69 -1.09 -0.31 -4.68 121.20 118.43 3h5b s ILE 162 Ca 0.47 0.98 -0.28 0.00 -2.23 0.00 0.00 60.65 59.59 3h5b s ILE 162 Cb -0.21 -3.81 -0.02 0.00 -1.58 0.00 0.00 42.46 36.85 3h5b s ILE 162 CO 0.73 0.44 0.93 -0.63 -1.23 0.00 0.00 174.94 175.18 3h5b s ILE 163 N -0.19 4.84 -0.07 2.92 1.01 -1.26 -1.39 121.20 127.05 3h5b s ILE 163 Ca 0.26 1.89 -0.03 0.00 0.00 0.00 0.00 60.65 62.77 3h5b s ILE 163 Cb -0.16 -4.25 0.04 0.00 0.01 0.00 0.00 42.46 38.10 3h5b s ILE 163 CO 0.13 0.05 0.16 -0.51 0.00 0.00 0.00 174.94 174.78 3h5b s ILE 164 N 1.80 -0.05 -0.06 2.92 2.07 -0.34 -4.47 121.20 123.06 3h5b s ILE 164 Ca 0.45 0.18 -0.15 0.00 -1.41 0.00 0.00 60.65 59.72 3h5b s ILE 164 Cb -0.18 -0.27 -0.05 0.00 0.13 0.00 0.00 42.46 42.09 3h5b s ILE 164 CO 0.18 0.07 0.39 -0.70 -1.91 0.00 0.00 174.94 172.97 3h5b s GLU 165 N 1.21 4.07 -0.21 3.50 2.56 -0.20 -1.14 118.70 128.49 3h5b s GLU 165 Ca -0.09 0.34 0.00 0.00 0.00 0.00 0.00 54.97 55.22 3h5b s GLU 165 Cb -0.11 -3.31 0.05 0.00 2.00 0.00 0.00 34.13 32.76 3h5b s GLU 165 CO -0.06 0.47 -0.05 0.42 -0.56 0.00 0.00 175.26 175.48 3h5b s ILE 166 N -0.35 1.38 -1.52 -3.70 1.01 0.89 -1.11 121.20 117.79 3h5b s ILE 166 Ca 0.23 -1.01 -0.14 0.00 0.00 0.00 0.00 60.65 59.72 3h5b s ILE 166 Cb -0.15 -1.62 0.10 0.00 0.01 0.00 0.00 42.46 40.80 3h5b s ILE 166 CO 0.10 -0.02 0.82 0.00 0.00 0.00 0.00 174.94 175.84 3h5b n ALA 167 N 4.75 -1.21 -0.70 9.38 0.00 -0.29 -1.03 120.51 131.40 3h5b n ALA 167 Ca -0.12 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3h5b n ALA 167 Cb 0.45 -3.90 0.00 0.00 0.00 0.00 0.00 19.45 16.00 3h5b n ALA 167 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h5b n GLY 168 N -1.51 0.83 3.58 0.00 0.00 -1.26 -5.03 105.19 101.79 3h5b n GLY 168 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 3h5b n GLY 168 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3h5b s HIS 169 N -3.24 3.04 -0.06 1.61 4.02 -0.20 -5.09 115.29 115.37 3h5b s HIS 169 Ca 0.00 -0.06 -0.23 0.00 1.02 0.00 0.00 55.06 55.79 3h5b s HIS 169 Cb 0.00 -1.84 -0.04 0.00 -1.02 0.00 0.00 32.58 29.69 3h5b s HIS 169 CO 0.00 0.22 0.69 0.21 1.02 0.00 0.00 174.74 176.89 3h5b s LYS 170 N -0.34 4.44 0.10 1.40 2.47 -1.26 -0.08 119.74 126.46 3h5b s LYS 170 Ca 0.06 0.87 0.06 0.00 -1.56 0.00 0.00 55.97 55.40 3h5b s LYS 170 Cb -0.12 -3.44 -0.03 0.00 -1.46 0.00 0.00 37.83 32.77 3h5b s LYS 170 CO 0.02 0.08 -0.15 0.00 0.16 0.00 0.00 175.35 175.46 3h5b s ALA 171 N 0.76 1.41 -0.13 3.13 0.00 -0.29 -4.83 121.76 121.80 3h5b s ALA 171 Ca 0.37 -1.17 -0.04 0.00 0.00 0.00 0.00 51.96 51.12 3h5b s ALA 171 Cb -0.18 -0.11 0.05 0.00 0.00 0.00 0.00 23.12 22.89 3h5b s ALA 171 CO 0.18 0.16 0.08 0.42 0.00 0.00 0.00 175.76 176.60 3h5b s ILE 172 N -1.67 -0.04 0.00 0.00 1.01 -1.26 -1.20 121.20 118.05 3h5b s ILE 172 Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 60.65 60.67 3h5b s ILE 172 Cb -0.08 -0.49 0.00 0.00 0.01 0.00 0.00 42.46 41.90 3h5b s ILE 172 CO 0.03 -0.14 0.00 0.61 0.00 0.00 0.00 174.94 175.44 3h5b n GLY 173 N 5.26 0.90 3.72 6.18 0.00 -0.49 -4.80 105.19 115.97 3h5b n GLY 173 Ca -0.06 -0.62 -0.41 0.00 0.00 0.00 0.00 46.02 44.92 3h5b n GLY 173 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h5b s THR 174 N -2.10 4.74 -0.09 2.61 2.01 -1.26 -1.17 115.64 120.38 3h5b s THR 174 Ca 0.00 2.02 0.02 0.00 0.31 0.00 0.00 61.69 64.05 3h5b s THR 174 Cb 0.00 -4.30 0.01 0.00 0.01 0.00 0.00 72.50 68.22 3h5b s THR 174 CO 0.00 0.23 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.30 3h5b s VAL 175 N 0.60 1.54 -0.16 3.82 1.01 -0.03 -4.51 120.40 122.68 3h5b s VAL 175 Ca 0.49 -0.70 -0.11 0.00 0.00 0.00 0.00 61.98 61.66 3h5b s VAL 175 Cb -0.22 -1.38 -0.05 0.00 0.00 0.00 0.00 36.38 34.73 3h5b s VAL 175 CO 0.28 0.45 0.22 -0.76 0.00 0.00 0.00 175.10 175.29 3h5b s LEU 176 N 0.72 4.27 -0.17 3.92 1.43 -0.12 -1.30 118.68 127.44 3h5b s LEU 176 Ca -0.12 0.44 -0.02 0.00 -1.03 0.00 0.00 54.13 53.40 3h5b s LEU 176 Cb -0.16 -2.24 -0.01 0.00 0.03 0.00 0.00 46.19 43.81 3h5b s LEU 176 CO 0.03 0.20 -0.08 -0.69 0.23 0.00 0.00 176.35 176.03 3h5b s VAL 177 N 0.06 3.29 -1.07 -1.59 1.01 0.10 -0.51 120.40 121.70 3h5b s VAL 177 Ca 0.14 -0.55 0.00 0.00 0.00 0.00 0.00 61.98 61.56 3h5b s VAL 177 Cb -0.12 -2.44 0.00 0.00 0.00 0.00 0.00 36.38 33.82 3h5b s VAL 177 CO 0.03 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.22 3h5b n GLY 178 N 4.00 -1.37 3.56 4.51 0.00 -0.93 -1.02 105.19 113.93 3h5b n GLY 178 Ca -0.18 -0.98 -0.41 0.00 0.00 0.00 0.00 46.02 44.45 3h5b n GLY 178 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3h5b s PRO 179 N -1.19 3.14 0.05 1.61 0.04 -1.26 -4.11 135.00 133.28 3h5b s PRO 179 Ca 0.00 0.06 0.07 0.00 0.04 0.00 0.00 61.00 61.18 3h5b s PRO 179 Cb 0.00 -4.19 -0.03 0.00 0.04 0.00 0.00 34.50 30.32 3h5b s PRO 179 CO 0.00 -2.17 -0.20 -0.08 0.04 0.00 0.00 177.00 174.59 3h5b s THR 180 N 6.30 1.61 0.43 1.26 -1.32 -1.26 -5.01 115.64 117.65 3h5b s THR 180 Ca 0.44 -1.21 0.12 0.00 -1.21 0.00 0.00 61.69 59.82 3h5b s THR 180 Cb -0.09 -1.42 0.30 0.00 -1.51 0.00 0.00 72.50 69.78 3h5b s THR 180 CO 0.19 0.16 2.03 -0.65 -2.21 0.00 0.00 174.62 174.13 3h5b h PRO 181 N 4.79 0.41 -3.49 7.08 0.11 -1.99 -3.44 132.00 135.47 3h5b h PRO 181 Ca -0.42 -0.02 -0.13 0.00 0.11 0.00 0.00 66.00 65.53 3h5b h PRO 181 Cb 1.16 -0.09 -0.20 0.00 0.11 0.00 0.00 31.00 31.99 3h5b h PRO 181 CO 0.43 0.27 -0.45 0.08 -0.21 0.00 0.00 178.00 178.12 3h5b s VAL 182 N -5.39 0.09 0.16 3.15 1.01 -1.26 -5.12 120.40 113.04 3h5b s VAL 182 Ca -0.08 -0.74 -0.31 0.00 0.00 0.00 0.00 61.98 60.85 3h5b s VAL 182 Cb 0.19 -0.58 -0.10 0.00 0.00 0.00 0.00 36.38 35.89 3h5b s VAL 182 CO 0.73 -0.41 1.52 0.20 0.00 0.00 0.00 175.10 177.15 3h5b s ASN 183 N -1.58 6.64 -0.08 3.32 0.01 -1.26 -4.85 114.94 117.14 3h5b s ASN 183 Ca -0.12 2.56 0.04 0.00 -0.71 0.00 0.00 52.86 54.64 3h5b s ASN 183 Cb -0.06 -2.59 -0.00 0.00 0.41 0.00 0.00 41.25 39.01 3h5b s ASN 183 CO 0.00 -0.78 -0.21 0.27 -1.51 0.00 0.00 177.10 174.87 3h5b s ILE 184 N 1.03 1.83 -0.41 0.60 -4.36 0.18 -0.58 121.20 119.49 3h5b s ILE 184 Ca 0.68 -0.90 -0.17 0.00 -0.26 0.00 0.00 60.65 60.00 3h5b s ILE 184 Cb -0.42 -1.58 0.02 0.00 1.25 0.00 0.00 42.46 41.73 3h5b s ILE 184 CO 0.32 0.51 0.40 -0.63 0.24 0.00 0.00 174.94 175.78 3h5b s ILE 185 N 0.24 5.13 0.52 8.37 -1.09 0.11 -1.24 121.20 133.24 3h5b s ILE 185 Ca -0.13 -0.40 0.01 0.00 -2.23 0.00 0.00 60.65 57.91 3h5b s ILE 185 Cb -0.16 -4.00 0.10 0.00 -1.58 0.00 0.00 42.46 36.82 3h5b s ILE 185 CO 0.06 -0.38 0.72 0.61 -1.23 0.00 0.00 174.94 174.72 3h5b n GLY 186 N 5.11 0.92 0.25 6.18 0.00 -1.22 -1.02 105.19 115.41 3h5b n GLY 186 Ca -0.08 -2.05 0.09 0.00 0.00 0.00 0.00 46.02 43.98 3h5b n GLY 186 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3h5b h ARG 187 N 0.00 0.00 -0.68 1.61 3.08 -0.94 -0.86 114.38 116.59 3h5b h ARG 187 Ca -0.24 0.00 0.09 0.00 0.07 0.00 0.00 59.98 59.90 3h5b h ARG 187 Cb 0.92 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.93 3h5b h ARG 187 CO 0.27 0.10 0.45 -2.95 -1.07 0.00 0.00 179.97 176.77 3h5b h ASN 188 N 0.00 0.52 0.00 7.04 -1.07 -1.75 -1.18 115.58 119.14 3h5b h ASN 188 Ca -0.00 0.01 -0.22 0.00 0.07 0.00 0.00 56.30 56.16 3h5b h ASN 188 Cb 0.20 -0.10 -0.04 0.00 -2.07 0.00 0.00 38.32 36.31 3h5b h ASN 188 CO 0.01 0.32 -2.21 0.18 0.07 0.00 0.00 177.43 175.80 3h5b n LEU 189 N -4.48 0.00 -0.23 6.14 4.77 -0.68 -4.10 117.00 118.41 3h5b n LEU 189 Ca 0.11 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 56.09 3h5b n LEU 189 Cb 0.32 0.30 0.22 0.00 -2.33 0.00 0.00 43.42 41.93 3h5b n LEU 189 CO 0.33 0.30 1.21 -0.07 -1.33 0.00 0.00 177.39 177.83 3h5b h LEU 190 N 0.00 0.90 -1.09 2.23 3.38 -0.94 -1.64 115.31 118.15 3h5b h LEU 190 Ca -0.33 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.56 3h5b h LEU 190 Cb 1.73 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 42.23 3h5b h LEU 190 CO 0.02 0.68 0.11 0.71 0.09 0.00 0.00 178.44 180.05 3h5b h THR 191 N 1.05 1.22 0.00 0.22 1.35 -1.40 -1.53 112.91 113.82 3h5b h THR 191 Ca 0.28 -0.78 -0.06 0.00 -0.55 0.00 0.00 66.41 65.30 3h5b h THR 191 Cb -0.07 0.71 -0.01 0.00 -1.73 0.00 0.00 68.15 67.05 3h5b h THR 191 CO -0.05 0.29 -0.27 1.56 -0.25 0.00 0.00 175.52 176.79 3h5b h GLN 192 N 0.74 0.00 -0.25 4.72 4.20 -1.46 -2.54 115.11 120.52 3h5b h GLN 192 Ca 0.16 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.87 3h5b h GLN 192 Cb 0.28 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.06 3h5b h GLN 192 CO -0.00 0.27 0.00 0.44 -0.67 0.00 0.00 178.83 178.87 3h5b n ILE 193 N -4.06 0.31 -1.61 2.54 -5.35 -0.97 -4.94 119.36 105.28 3h5b n ILE 193 Ca -0.02 -0.55 -0.00 0.00 -0.27 0.00 0.00 62.75 61.91 3h5b n ILE 193 Cb 0.33 0.81 -0.00 0.00 -1.74 0.00 0.00 39.64 39.04 3h5b n ILE 193 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3h5b n GLY 194 N 1.34 0.38 3.77 3.28 0.00 -0.96 -5.02 105.19 107.98 3h5b n GLY 194 Ca 0.18 -0.96 -0.38 0.00 0.00 0.00 0.00 46.02 44.86 3h5b n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h5b s ALA 195 N -2.02 3.25 0.09 4.61 0.00 -0.60 -5.03 121.76 122.06 3h5b s ALA 195 Ca 0.00 0.61 0.02 0.00 0.00 0.00 0.00 51.96 52.59 3h5b s ALA 195 Cb 0.00 -3.22 -0.04 0.00 0.00 0.00 0.00 23.12 19.87 3h5b s ALA 195 CO 0.00 0.11 -0.07 0.95 0.00 0.00 0.00 175.76 176.75 3h5b s THR 196 N -1.45 0.69 -0.08 0.00 -4.23 -1.26 -4.72 115.64 104.58 3h5b s THR 196 Ca 0.48 -1.75 -0.12 0.00 -1.18 0.00 0.00 61.69 59.13 3h5b s THR 196 Cb -0.22 -1.45 -0.05 0.00 1.34 0.00 0.00 72.50 72.12 3h5b s THR 196 CO 0.28 -0.75 0.28 -0.76 -0.54 0.00 0.00 174.62 173.13 3h5b s LEU 197 N -2.71 4.39 -0.01 4.79 1.43 -1.26 -5.09 118.68 120.21 3h5b s LEU 197 Ca 0.07 0.66 0.02 0.00 -1.03 0.00 0.00 54.13 53.85 3h5b s LEU 197 Cb 0.02 -2.33 0.00 0.00 0.03 0.00 0.00 46.19 43.90 3h5b s LEU 197 CO -0.03 0.30 -0.06 0.20 0.23 0.00 0.00 176.35 176.99 3h5b s ASN 198 N -0.68 0.80 0.00 2.29 0.01 -1.26 -5.29 114.94 110.81 3h5b s ASN 198 Ca 0.18 -0.12 0.00 0.00 -0.71 0.00 0.00 52.86 52.22 3h5b s ASN 198 Cb -0.14 -0.18 0.00 0.00 0.41 0.00 0.00 41.25 41.34 3h5b s ASN 198 CO 0.07 0.05 0.00 2.22 -1.51 0.00 0.00 177.10 177.93