#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b6k s GLN 102 N 0.00 3.28 -0.21 -0.52 0.74 -1.26 -5.10 119.66 116.58 1b6k s GLN 102 Ca 0.00 -0.71 -0.04 0.00 0.05 0.00 0.00 55.36 54.66 1b6k s GLN 102 Cb 0.00 -2.71 -0.01 0.00 1.10 0.00 0.00 33.01 31.39 1b6k s GLN 102 CO 0.00 -0.01 -0.05 0.42 -0.55 0.00 0.00 175.29 175.10 1b6k s ILE 103 N 0.90 3.36 0.65 -2.34 1.01 -1.26 -5.11 121.20 118.42 1b6k s ILE 103 Ca -0.03 -0.50 -0.10 0.00 0.00 0.00 0.00 60.65 60.02 1b6k s ILE 103 Cb -0.15 -2.52 -0.00 0.00 0.01 0.00 0.00 42.46 39.80 1b6k s ILE 103 CO -0.01 0.43 1.03 0.42 0.00 0.00 0.00 174.94 176.81 1b6k s THR 104 N 1.34 3.85 -0.27 2.92 -4.23 -1.26 -5.01 115.64 112.99 1b6k s THR 104 Ca 0.04 0.45 0.12 0.00 -1.18 0.00 0.00 61.69 61.12 1b6k s THR 104 Cb -0.14 -3.58 0.60 0.00 1.34 0.00 0.00 72.50 70.72 1b6k s THR 104 CO -0.02 -0.72 1.58 0.18 -0.54 0.00 0.00 174.62 175.10 1b6k n LEU 105 N -2.83 4.78 -0.08 4.79 4.77 -1.26 -4.53 117.00 122.65 1b6k n LEU 105 Ca 0.06 -3.34 -0.00 0.00 -0.03 0.00 0.00 56.01 52.70 1b6k n LEU 105 Cb 0.56 -0.65 0.27 0.00 -2.33 0.00 0.00 43.42 41.28 1b6k n LEU 105 CO 0.56 0.91 1.03 -0.50 -1.33 0.00 0.00 177.39 178.06 1b6k h TRP 106 N 1.78 0.70 -1.86 -1.77 4.06 -2.06 -3.43 115.95 113.37 1b6k h TRP 106 Ca 0.18 -0.04 -0.59 0.00 2.06 0.00 0.00 58.89 60.50 1b6k h TRP 106 Cb 1.86 -0.22 -0.13 0.00 -1.00 0.00 0.00 29.16 29.67 1b6k h TRP 106 CO 0.95 0.57 -0.59 0.15 -3.56 0.00 0.00 178.44 175.97 1b6k s LYS 107 N -5.27 1.91 0.22 0.49 1.02 -1.26 -5.10 119.74 111.75 1b6k s LYS 107 Ca -0.09 -2.10 -0.30 0.00 0.02 0.00 0.00 55.97 53.50 1b6k s LYS 107 Cb 0.16 -1.37 -0.10 0.00 -0.52 0.00 0.00 37.83 36.00 1b6k s LYS 107 CO 0.77 -0.15 1.47 1.03 -0.92 0.00 0.00 175.35 177.56 1b6k s ARG 108 N -3.78 4.26 -1.19 1.68 0.52 -1.26 -4.88 118.95 114.29 1b6k s ARG 108 Ca 0.31 2.31 -0.20 0.00 -0.52 0.00 0.00 55.73 57.63 1b6k s ARG 108 Cb 0.08 -3.13 -0.03 0.00 0.52 0.00 0.00 34.95 32.40 1b6k s ARG 108 CO 0.15 -0.47 1.91 -0.35 0.02 0.00 0.00 175.30 176.56 1b6k n PRO 109 N 2.80 2.30 -3.47 3.54 -0.04 -1.26 -4.93 135.00 133.94 1b6k n PRO 109 Ca 0.09 -2.66 -0.37 0.00 -0.04 0.00 0.00 63.50 60.52 1b6k n PRO 109 Cb 0.40 -3.45 -0.07 0.00 -0.04 0.00 0.00 33.50 30.34 1b6k n PRO 109 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1b6k s LEU 110 N 5.82 4.25 0.27 1.53 1.43 -1.26 -0.85 118.68 129.87 1b6k s LEU 110 Ca 0.59 0.59 0.02 0.00 -1.03 0.00 0.00 54.13 54.30 1b6k s LEU 110 Cb 0.06 -2.47 -0.05 0.00 0.03 0.00 0.00 46.19 43.75 1b6k s LEU 110 CO 0.08 0.06 0.08 0.68 0.23 0.00 0.00 176.35 177.49 1b6k s VAL 111 N 0.55 0.71 -0.04 -1.59 -7.23 0.29 -4.91 120.40 108.19 1b6k s VAL 111 Ca 0.19 -2.00 -0.18 0.00 -1.81 0.00 0.00 61.98 58.18 1b6k s VAL 111 Cb -0.14 -2.63 -0.05 0.00 0.56 0.00 0.00 36.38 34.12 1b6k s VAL 111 CO 0.06 -0.04 0.51 -0.89 -0.31 0.00 0.00 175.10 174.43 1b6k s THR 112 N -3.64 5.03 0.29 5.32 2.01 -1.26 -0.26 115.64 123.13 1b6k s THR 112 Ca 0.37 1.04 0.07 0.00 0.31 0.00 0.00 61.69 63.47 1b6k s THR 112 Cb 0.08 -3.84 -0.06 0.00 0.01 0.00 0.00 72.50 68.69 1b6k s THR 112 CO 0.13 0.42 -0.05 0.27 -0.69 0.00 0.00 174.62 174.71 1b6k s ILE 113 N -0.11 1.65 -0.10 1.82 -4.36 0.16 -4.66 121.20 115.59 1b6k s ILE 113 Ca 0.27 -2.12 0.00 0.00 -0.26 0.00 0.00 60.65 58.55 1b6k s ILE 113 Cb -0.17 -2.50 0.02 0.00 1.25 0.00 0.00 42.46 41.07 1b6k s ILE 113 CO 0.14 -0.26 -0.08 -0.60 0.24 0.00 0.00 174.94 174.37 1b6k s ARG 114 N -3.73 1.47 -0.13 0.37 3.52 -0.39 -0.90 118.95 119.16 1b6k s ARG 114 Ca 0.30 -0.25 -0.07 0.00 -0.13 0.00 0.00 55.73 55.58 1b6k s ARG 114 Cb 0.04 -1.47 0.05 0.00 -1.56 0.00 0.00 34.95 32.01 1b6k s ARG 114 CO 0.13 -0.20 0.30 -1.50 -0.81 0.00 0.00 175.30 173.21 1b6k s ILE 115 N 1.48 -0.03 -1.65 4.11 2.07 0.18 -1.99 121.20 125.37 1b6k s ILE 115 Ca 0.00 0.12 0.00 0.00 -1.41 0.00 0.00 60.65 59.37 1b6k s ILE 115 Cb -0.13 -0.45 0.00 0.00 0.13 0.00 0.00 42.46 42.00 1b6k s ILE 115 CO -0.05 0.05 0.00 0.61 -1.91 0.00 0.00 174.94 173.64 1b6k n GLY 116 N 4.17 0.91 1.58 1.50 0.00 -1.26 -1.59 105.19 110.49 1b6k n GLY 116 Ca -0.24 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.57 1b6k n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b6k n GLY 117 N -0.96 1.18 3.75 -0.02 0.00 -1.26 -5.04 105.19 102.84 1b6k n GLY 117 Ca -0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.56 1b6k n GLY 117 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1b6k s GLN 118 N -0.47 2.76 -0.16 1.61 -0.21 -0.62 -5.12 119.66 117.45 1b6k s GLN 118 Ca 0.00 -0.84 -0.07 0.00 0.02 0.00 0.00 55.36 54.48 1b6k s GLN 118 Cb 0.00 -2.61 -0.04 0.00 1.00 0.00 0.00 33.01 31.36 1b6k s GLN 118 CO 0.00 0.52 0.07 -0.51 -2.12 0.00 0.00 175.29 173.24 1b6k s LEU 119 N -2.71 3.88 0.12 2.90 1.43 -1.26 -0.65 118.68 122.40 1b6k s LEU 119 Ca 0.29 0.15 -0.01 0.00 -1.03 0.00 0.00 54.13 53.53 1b6k s LEU 119 Cb -0.11 -1.96 -0.04 0.00 0.03 0.00 0.00 46.19 44.11 1b6k s LEU 119 CO 0.21 0.23 0.05 -0.54 0.23 0.00 0.00 176.35 176.53 1b6k s LYS 120 N 0.03 0.90 -0.16 1.70 1.02 -0.07 -4.96 119.74 118.19 1b6k s LYS 120 Ca 0.06 -1.42 -0.10 0.00 0.02 0.00 0.00 55.97 54.53 1b6k s LYS 120 Cb -0.12 0.22 -0.05 0.00 -0.52 0.00 0.00 37.83 37.37 1b6k s LYS 120 CO 0.01 -0.24 0.17 -1.21 -0.92 0.00 0.00 175.35 173.15 1b6k s GLU 121 N -4.03 3.98 0.04 1.68 0.41 -1.26 0.39 118.70 119.91 1b6k s GLU 121 Ca 0.22 -0.13 0.01 0.00 -0.41 0.00 0.00 54.97 54.67 1b6k s GLU 121 Cb 0.07 -3.35 -0.02 0.00 -1.78 0.00 0.00 34.13 29.05 1b6k s GLU 121 CO 0.01 0.44 -0.05 0.00 -0.49 0.00 0.00 175.26 175.16 1b6k s ALA 122 N -0.06 0.38 -0.09 5.21 0.00 0.64 -4.38 121.76 123.46 1b6k s ALA 122 Ca 0.12 -0.75 -0.19 0.00 0.00 0.00 0.00 51.96 51.13 1b6k s ALA 122 Cb -0.12 0.12 -0.04 0.00 0.00 0.00 0.00 23.12 23.08 1b6k s ALA 122 CO 0.01 -0.13 0.52 -1.17 0.00 0.00 0.00 175.76 174.99 1b6k s LEU 123 N -1.72 4.31 -0.49 0.00 2.96 0.16 -0.54 118.68 123.35 1b6k s LEU 123 Ca -0.10 0.91 -0.26 0.00 -0.22 0.00 0.00 54.13 54.46 1b6k s LEU 123 Cb -0.08 -2.77 0.03 0.00 0.50 0.00 0.00 46.19 43.88 1b6k s LEU 123 CO -0.01 0.01 0.97 -0.76 -1.32 0.00 0.00 176.35 175.24 1b6k s LEU 124 N 0.48 3.94 -0.34 -0.68 1.43 -0.03 -0.73 118.68 122.73 1b6k s LEU 124 Ca 0.28 0.07 -0.01 0.00 -1.03 0.00 0.00 54.13 53.44 1b6k s LEU 124 Cb -0.16 -3.17 0.08 0.00 0.03 0.00 0.00 46.19 42.97 1b6k s LEU 124 CO 0.12 -1.14 0.07 -0.62 0.23 0.00 0.00 176.35 175.02 1b6k s ASP 125 N 2.45 4.99 0.06 2.29 -1.08 -0.49 -4.78 116.67 120.11 1b6k s ASP 125 Ca 0.38 -1.65 0.23 0.00 -0.52 0.00 0.00 52.55 50.99 1b6k s ASP 125 Cb -0.10 -1.74 0.95 0.00 -1.46 0.00 0.00 42.92 40.57 1b6k s ASP 125 CO 0.26 -0.37 1.73 0.35 0.52 0.00 0.00 175.17 177.66 1b6k n THR 126 N 4.56 0.50 0.81 1.71 -2.24 -1.26 -2.57 114.28 115.79 1b6k n THR 126 Ca -0.07 0.06 0.12 0.00 -2.27 0.00 0.00 64.05 61.89 1b6k n THR 126 Cb 0.42 -0.75 0.27 0.00 -2.10 0.00 0.00 70.33 68.18 1b6k n THR 126 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1b6k n GLY 127 N 0.82 1.02 3.54 3.38 0.00 -1.26 -4.85 105.19 107.85 1b6k n GLY 127 Ca 0.05 -0.61 -0.36 0.00 0.00 0.00 0.00 46.02 45.11 1b6k n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b6k s ALA 128 N -1.71 3.29 0.18 4.61 0.00 -1.06 -4.98 121.76 122.10 1b6k s ALA 128 Ca 0.35 -0.96 -0.02 0.00 0.00 0.00 0.00 51.96 51.33 1b6k s ALA 128 Cb 0.20 -2.04 0.08 0.00 0.00 0.00 0.00 23.12 21.37 1b6k s ALA 128 CO 0.30 -0.19 1.47 -0.44 0.00 0.00 0.00 175.76 176.89 1b6k h ASP 129 N 7.56 0.54 -1.51 0.00 3.32 -1.89 -0.88 116.42 123.56 1b6k h ASP 129 Ca -0.37 -0.33 -0.62 0.00 0.02 0.00 0.00 57.03 55.74 1b6k h ASP 129 Cb 1.17 -0.16 -0.12 0.00 0.22 0.00 0.00 39.33 40.45 1b6k h ASP 129 CO 0.63 1.05 -0.56 -1.81 -1.72 0.00 0.00 179.24 176.82 1b6k s ASP 130 N -6.95 4.04 -0.23 6.45 1.01 -1.26 -3.61 116.67 116.12 1b6k s ASP 130 Ca -0.06 -1.33 -0.08 0.00 0.71 0.00 0.00 52.55 51.79 1b6k s ASP 130 Cb 0.11 -0.32 -0.04 0.00 1.01 0.00 0.00 42.92 43.68 1b6k s ASP 130 CO 0.84 -0.52 0.09 -0.89 0.21 0.00 0.00 175.17 174.90 1b6k s THR 131 N -2.70 4.67 -0.19 -1.27 2.01 -1.26 -3.33 115.64 113.57 1b6k s THR 131 Ca 0.34 -0.06 0.00 0.00 0.31 0.00 0.00 61.69 62.28 1b6k s THR 131 Cb 0.08 -3.16 0.02 0.00 0.01 0.00 0.00 72.50 69.44 1b6k s THR 131 CO 0.18 0.37 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.62 1b6k s VAL 132 N 1.14 2.26 -0.06 3.82 1.01 -0.02 -1.11 120.40 127.44 1b6k s VAL 132 Ca 0.05 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.14 1b6k s VAL 132 Cb -0.14 -1.98 -0.03 0.00 0.00 0.00 0.00 36.38 34.23 1b6k s VAL 132 CO 0.04 0.50 -0.07 -0.63 0.00 0.00 0.00 175.10 174.94 1b6k s ILE 133 N 1.31 3.72 0.84 2.22 -1.09 0.79 -0.04 121.20 128.95 1b6k s ILE 133 Ca 0.05 -0.51 -0.13 0.00 -2.23 0.00 0.00 60.65 57.82 1b6k s ILE 133 Cb -0.13 -2.53 0.06 0.00 -1.58 0.00 0.00 42.46 38.27 1b6k s ILE 133 CO -0.11 0.57 0.88 -0.62 -1.23 0.00 0.00 174.94 174.43 1b6k n GLU 134 N 2.13 0.01 -1.65 2.79 1.02 -1.26 -2.07 120.64 121.60 1b6k n GLU 134 Ca -0.18 0.07 -0.55 0.00 -0.02 0.00 0.00 57.16 56.49 1b6k n GLU 134 Cb 0.53 -2.18 -0.07 0.00 -0.02 0.00 0.00 31.44 29.71 1b6k n GLU 134 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1b6k n GLU 135 N -2.54 1.34 -3.75 3.49 4.07 -0.95 -4.56 120.64 117.73 1b6k n GLU 135 Ca 0.11 0.47 -0.13 0.00 -0.06 0.00 0.00 57.16 57.55 1b6k n GLU 135 Cb 0.51 -2.27 -0.08 0.00 -0.06 0.00 0.00 31.44 29.54 1b6k n GLU 135 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1b6k s MET 136 N 4.17 0.71 -1.36 5.31 0.23 -1.26 -5.03 119.30 122.06 1b6k s MET 136 Ca 1.00 -0.21 -0.14 0.00 -1.03 0.00 0.00 55.69 55.30 1b6k s MET 136 Cb -0.97 0.31 0.08 0.00 -1.53 0.00 0.00 34.83 32.73 1b6k s MET 136 CO 0.60 -0.20 1.95 0.27 -2.03 0.00 0.00 175.02 175.61 1b6k n ASN 137 N 1.16 4.52 -4.72 -1.18 6.94 -1.26 -4.98 115.26 115.74 1b6k n ASN 137 Ca -0.21 -2.92 -0.41 0.00 -0.02 0.00 0.00 54.58 51.02 1b6k n ASN 137 Cb 0.56 -1.65 -0.04 0.00 -2.36 0.00 0.00 39.78 36.30 1b6k n ASN 137 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1b6k s LEU 138 N 2.36 4.40 0.76 -4.53 1.43 -1.26 -5.05 118.68 116.80 1b6k s LEU 138 Ca 0.47 1.58 -0.11 0.00 -1.03 0.00 0.00 54.13 55.04 1b6k s LEU 138 Cb 0.09 -3.45 0.05 0.00 0.03 0.00 0.00 46.19 42.91 1b6k s LEU 138 CO -0.01 -0.15 1.10 -2.16 0.23 0.00 0.00 176.35 175.35 1b6k s PRO 139 N 0.59 2.40 0.00 1.29 0.04 -1.26 -4.97 135.00 133.08 1b6k s PRO 139 Ca 0.47 0.53 0.00 0.00 0.04 0.00 0.00 61.00 62.04 1b6k s PRO 139 Cb -0.21 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.37 1b6k s PRO 139 CO 0.26 -1.38 0.00 0.41 0.04 0.00 0.00 177.00 176.33 1b6k n GLY 140 N -2.55 2.01 3.81 0.56 0.00 -1.26 -5.04 105.19 102.73 1b6k n GLY 140 Ca 0.07 -2.04 -0.34 0.00 0.00 0.00 0.00 46.02 43.71 1b6k n GLY 140 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b6k s LYS 141 N -2.17 4.02 0.22 1.61 3.01 -1.26 -5.07 119.74 120.11 1b6k s LYS 141 Ca 0.00 1.27 -0.07 0.00 -1.01 0.00 0.00 55.97 56.16 1b6k s LYS 141 Cb 0.00 -2.17 -0.02 0.00 -1.01 0.00 0.00 37.83 34.62 1b6k s LYS 141 CO 0.00 -0.23 0.31 1.67 0.51 0.00 0.00 175.35 177.61 1b6k s TRP 142 N -2.04 0.74 -0.00 3.18 1.48 -1.26 -4.60 118.94 116.44 1b6k s TRP 142 Ca 0.64 -1.04 0.02 0.00 -1.06 0.00 0.00 56.10 54.66 1b6k s TRP 142 Cb -0.14 -0.17 -0.01 0.00 -1.16 0.00 0.00 33.47 32.00 1b6k s TRP 142 CO 0.17 -0.82 -0.06 0.15 -4.06 0.00 0.00 176.95 172.34 1b6k s LYS 143 N -4.08 0.46 0.52 3.25 -0.14 -0.82 -4.91 119.74 114.02 1b6k s LYS 143 Ca 0.30 -0.25 -0.21 0.00 -1.36 0.00 0.00 55.97 54.45 1b6k s LYS 143 Cb 0.03 -0.43 -0.06 0.00 -1.68 0.00 0.00 37.83 35.70 1b6k s LYS 143 CO 0.10 0.11 1.24 -2.14 -0.76 0.00 0.00 175.35 173.91 1b6k s PRO 144 N -0.25 3.35 0.04 -1.68 0.02 -1.26 -0.40 135.00 134.82 1b6k s PRO 144 Ca 0.01 1.94 -0.25 0.00 0.02 0.00 0.00 61.00 62.72 1b6k s PRO 144 Cb -0.03 -2.23 0.06 0.00 0.02 0.00 0.00 34.50 32.32 1b6k s PRO 144 CO -0.00 -0.93 0.59 0.21 -0.33 0.00 0.00 177.00 176.54 1b6k s LYS 145 N -2.93 1.10 -0.11 5.54 2.20 -0.67 -4.84 119.74 120.02 1b6k s LYS 145 Ca 0.70 -0.11 0.01 0.00 -0.36 0.00 0.00 55.97 56.21 1b6k s LYS 145 Cb -0.33 0.51 0.02 0.00 -1.51 0.00 0.00 37.83 36.52 1b6k s LYS 145 CO 0.39 -0.40 -0.14 -1.64 -0.36 0.00 0.00 175.35 173.20 1b6k s MET 146 N -2.30 2.08 0.11 4.03 -1.94 -1.26 -0.55 119.30 119.47 1b6k s MET 146 Ca -0.06 -0.50 0.10 0.00 -1.71 0.00 0.00 55.69 53.52 1b6k s MET 146 Cb -0.01 -1.82 -0.04 0.00 2.01 0.00 0.00 34.83 34.97 1b6k s MET 146 CO -0.00 -0.10 -0.25 0.96 -0.01 0.00 0.00 175.02 175.62 1b6k s ILE 147 N 1.11 2.36 -0.05 2.53 -4.36 -0.93 -4.92 121.20 116.93 1b6k s ILE 147 Ca -0.04 -1.63 -0.01 0.00 -0.26 0.00 0.00 60.65 58.71 1b6k s ILE 147 Cb -0.14 -2.03 -0.03 0.00 1.25 0.00 0.00 42.46 41.50 1b6k s ILE 147 CO -0.03 0.15 0.01 -0.83 0.24 0.00 0.00 174.94 174.48 1b6k s GLY 148 N -1.90 1.88 0.00 6.27 0.00 -1.26 -1.40 107.32 110.91 1b6k s GLY 148 Ca 0.14 -0.86 0.00 0.00 0.00 0.00 0.00 44.72 44.01 1b6k s GLY 148 CO 0.06 -0.67 0.00 0.61 0.00 0.00 0.00 173.10 173.10 1b6k n GLY 149 N 1.78 5.36 0.21 0.20 0.00 0.13 -4.97 105.19 107.91 1b6k n GLY 149 Ca -0.17 -1.94 -0.08 0.00 0.00 0.00 0.00 46.02 43.84 1b6k n GLY 149 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1b6k h ILE 150 N 0.00 1.32 -0.12 -0.61 6.09 -2.03 -3.29 117.51 118.87 1b6k h ILE 150 Ca 0.00 -1.70 0.00 0.00 -1.37 0.00 0.00 64.86 61.79 1b6k h ILE 150 Cb 0.00 1.70 0.00 0.00 0.47 0.00 0.00 36.82 38.99 1b6k h ILE 150 CO 0.00 0.53 0.00 0.61 -3.07 0.00 0.00 178.15 176.22 1b6k n GLY 151 N 0.11 1.17 0.00 8.18 0.00 -1.26 -5.07 105.19 108.32 1b6k n GLY 151 Ca -0.02 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.30 1b6k n GLY 151 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b6k n GLY 152 N 1.38 0.41 3.66 -0.02 0.00 -1.24 -5.13 105.19 104.25 1b6k n GLY 152 Ca 0.15 -1.57 -0.26 0.00 0.00 0.00 0.00 46.02 44.34 1b6k n GLY 152 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1b6k s PHE 153 N -3.06 2.81 0.05 1.61 0.40 -1.26 0.21 117.98 118.74 1b6k s PHE 153 Ca 0.00 -0.16 0.03 0.00 -0.60 0.00 0.00 56.93 56.20 1b6k s PHE 153 Cb 0.00 -1.34 -0.03 0.00 0.51 0.00 0.00 43.02 42.16 1b6k s PHE 153 CO 0.00 0.53 -0.10 0.96 0.70 0.00 0.00 175.22 177.31 1b6k s ILE 154 N -1.83 0.74 0.01 0.64 -4.36 -0.49 -4.96 121.20 110.95 1b6k s ILE 154 Ca 0.28 -1.17 -0.25 0.00 -0.26 0.00 0.00 60.65 59.25 1b6k s ILE 154 Cb -0.09 -0.78 -0.05 0.00 1.25 0.00 0.00 42.46 42.79 1b6k s ILE 154 CO 0.19 -0.34 0.75 -0.54 0.24 0.00 0.00 174.94 175.24 1b6k s LYS 155 N -1.67 4.47 0.18 0.37 1.02 -1.26 -2.19 119.74 120.66 1b6k s LYS 155 Ca -0.07 1.02 0.00 0.00 0.02 0.00 0.00 55.97 56.94 1b6k s LYS 155 Cb -0.10 -3.39 -0.04 0.00 -0.52 0.00 0.00 37.83 33.77 1b6k s LYS 155 CO 0.01 0.20 0.05 0.14 -0.92 0.00 0.00 175.35 174.83 1b6k s VAL 156 N 0.27 0.39 -0.18 3.17 -7.23 0.29 -4.52 120.40 112.59 1b6k s VAL 156 Ca 0.39 -1.96 -0.03 0.00 -1.81 0.00 0.00 61.98 58.56 1b6k s VAL 156 Cb -0.20 -2.24 -0.02 0.00 0.56 0.00 0.00 36.38 34.49 1b6k s VAL 156 CO 0.22 -0.32 -0.04 -0.13 -0.31 0.00 0.00 175.10 174.51 1b6k s ARG 157 N -4.01 3.54 -0.24 4.82 0.52 -0.05 -1.68 118.95 121.86 1b6k s ARG 157 Ca 0.28 -0.57 -0.17 0.00 -0.52 0.00 0.00 55.73 54.75 1b6k s ARG 157 Cb 0.07 -2.93 -0.03 0.00 0.52 0.00 0.00 34.95 32.58 1b6k s ARG 157 CO 0.06 0.08 0.47 -1.14 0.02 0.00 0.00 175.30 174.79 1b6k s GLN 158 N 0.78 4.10 -0.10 3.54 0.74 0.47 -0.98 119.66 128.20 1b6k s GLN 158 Ca -0.02 0.26 0.01 0.00 0.05 0.00 0.00 55.36 55.67 1b6k s GLN 158 Cb -0.15 -3.62 -0.02 0.00 1.10 0.00 0.00 33.01 30.33 1b6k s GLN 158 CO 0.02 -0.25 -0.14 0.71 -0.55 0.00 0.00 175.29 175.08 1b6k s TYR 159 N 1.98 2.76 0.15 1.67 1.51 -0.25 -1.94 117.35 123.23 1b6k s TYR 159 Ca 0.20 -0.49 0.05 0.00 -1.01 0.00 0.00 57.07 55.82 1b6k s TYR 159 Cb -0.15 -1.76 -0.04 0.00 -0.11 0.00 0.00 41.96 39.89 1b6k s TYR 159 CO 0.09 -0.08 0.13 -0.51 -1.11 0.00 0.00 175.55 174.07 1b6k s ASP 160 N -0.03 5.55 -1.37 2.29 1.01 -1.26 -0.86 116.67 122.00 1b6k s ASP 160 Ca -0.04 -0.10 -0.06 0.00 0.71 0.00 0.00 52.55 53.07 1b6k s ASP 160 Cb -0.14 -1.47 0.03 0.00 1.01 0.00 0.00 42.92 42.35 1b6k s ASP 160 CO 0.04 0.09 0.95 0.00 0.21 0.00 0.00 175.17 176.45 1b6k n GLN 161 N -0.19 -6.07 -3.31 8.23 1.13 -1.16 -4.90 117.38 111.09 1b6k n GLN 161 Ca -0.08 0.70 -0.39 0.00 -1.94 0.00 0.00 57.00 55.29 1b6k n GLN 161 Cb 0.54 -5.55 -0.07 0.00 0.11 0.00 0.00 30.24 25.27 1b6k n GLN 161 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1b6k s ILE 162 N -3.43 5.14 -0.11 5.09 -1.09 0.29 -4.73 121.20 122.36 1b6k s ILE 162 Ca 0.33 0.82 -0.30 0.00 -2.23 0.00 0.00 60.65 59.27 1b6k s ILE 162 Cb -0.16 -3.78 -0.02 0.00 -1.58 0.00 0.00 42.46 36.91 1b6k s ILE 162 CO 0.79 0.20 1.27 -2.16 -1.23 0.00 0.00 174.94 173.80 1b6k s PRO 163 N 1.61 4.27 -0.06 2.79 0.04 -1.26 -1.69 135.00 140.69 1b6k s PRO 163 Ca 0.21 1.71 0.02 0.00 0.04 0.00 0.00 61.00 62.98 1b6k s PRO 163 Cb -0.15 -3.70 0.01 0.00 0.04 0.00 0.00 34.50 30.70 1b6k s PRO 163 CO 0.09 -0.62 -0.12 0.08 0.04 0.00 0.00 177.00 176.47 1b6k s VAL 164 N 3.05 1.10 -0.26 -0.36 1.01 0.02 -4.55 120.40 120.42 1b6k s VAL 164 Ca 0.57 -0.47 -0.09 0.00 0.00 0.00 0.00 61.98 61.99 1b6k s VAL 164 Cb -0.24 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 35.09 1b6k s VAL 164 CO 0.18 0.35 0.11 -0.70 0.00 0.00 0.00 175.10 175.05 1b6k s GLU 165 N 0.64 3.79 -0.42 2.72 2.12 -0.84 -0.94 118.70 125.77 1b6k s GLU 165 Ca -0.14 -0.41 0.05 0.00 0.36 0.00 0.00 54.97 54.83 1b6k s GLU 165 Cb -0.15 -3.44 0.49 0.00 0.26 0.00 0.00 34.13 31.28 1b6k s GLU 165 CO 0.03 -0.15 1.58 -0.89 -0.54 0.00 0.00 175.26 175.29 1b6k n ILE 166 N 4.87 2.92 0.00 -3.70 5.41 -1.26 -1.26 119.36 126.34 1b6k n ILE 166 Ca -0.15 -3.23 0.00 0.00 1.00 0.00 0.00 62.75 60.36 1b6k n ILE 166 Cb 0.52 -0.85 0.00 0.00 -0.71 0.00 0.00 39.64 38.60 1b6k n ILE 166 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1b6k n GLY 168 N -0.93 0.00 3.62 7.39 0.00 -1.26 -4.70 105.19 109.31 1b6k n GLY 168 Ca 0.48 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.10 1b6k n GLY 168 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1b6k s HIS 169 N 0.00 3.28 0.44 1.61 4.02 -1.26 -5.07 115.29 118.31 1b6k s HIS 169 Ca 0.00 0.52 -0.23 0.00 1.02 0.00 0.00 55.06 56.38 1b6k s HIS 169 Cb 0.00 -2.60 -0.08 0.00 -1.02 0.00 0.00 32.58 28.87 1b6k s HIS 169 CO 0.00 -0.19 1.08 0.15 1.02 0.00 0.00 174.74 176.80 1b6k s LYS 170 N 1.97 3.94 0.22 1.40 1.02 -1.26 -4.31 119.74 122.71 1b6k s LYS 170 Ca 0.18 1.56 -0.21 0.00 0.02 0.00 0.00 55.97 57.53 1b6k s LYS 170 Cb -0.15 -2.39 0.04 0.00 -0.52 0.00 0.00 37.83 34.80 1b6k s LYS 170 CO 0.09 -0.35 0.63 0.00 -0.92 0.00 0.00 175.35 174.80 1b6k s ALA 171 N -1.69 -1.26 -0.24 5.17 0.00 -0.11 -4.78 121.76 118.84 1b6k s ALA 171 Ca 0.62 -0.03 -0.13 0.00 0.00 0.00 0.00 51.96 52.42 1b6k s ALA 171 Cb -0.23 0.87 0.08 0.00 0.00 0.00 0.00 23.12 23.84 1b6k s ALA 171 CO 0.28 -0.89 0.58 -1.50 0.00 0.00 0.00 175.76 174.24 1b6k s ILE 172 N -3.85 -0.14 0.00 0.00 2.07 -1.26 -0.80 121.20 117.22 1b6k s ILE 172 Ca 0.07 0.04 0.00 0.00 -1.41 0.00 0.00 60.65 59.35 1b6k s ILE 172 Cb -0.03 -0.86 0.00 0.00 0.13 0.00 0.00 42.46 41.70 1b6k s ILE 172 CO -0.02 0.02 0.00 0.61 -1.91 0.00 0.00 174.94 173.64 1b6k n GLY 173 N 4.47 0.73 3.72 1.50 0.00 -0.68 -4.86 105.19 110.07 1b6k n GLY 173 Ca -0.20 -0.68 -0.42 0.00 0.00 0.00 0.00 46.02 44.72 1b6k n GLY 173 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1b6k s THR 174 N -2.07 4.27 -0.07 2.61 2.01 -1.26 -0.55 115.64 120.58 1b6k s THR 174 Ca 0.00 1.75 0.03 0.00 0.31 0.00 0.00 61.69 63.78 1b6k s THR 174 Cb 0.00 -4.12 0.01 0.00 0.01 0.00 0.00 72.50 68.40 1b6k s THR 174 CO 0.00 0.20 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.30 1b6k s VAL 175 N 0.51 1.27 -0.21 3.82 1.01 -0.04 -4.48 120.40 122.28 1b6k s VAL 175 Ca 0.52 -0.57 -0.08 0.00 0.00 0.00 0.00 61.98 61.86 1b6k s VAL 175 Cb -0.26 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 34.94 1b6k s VAL 175 CO 0.31 0.38 0.08 -0.76 0.00 0.00 0.00 175.10 175.11 1b6k s LEU 176 N 0.53 3.79 -0.19 3.92 1.43 -0.26 -1.09 118.68 126.81 1b6k s LEU 176 Ca -0.13 0.02 -0.05 0.00 -1.03 0.00 0.00 54.13 52.94 1b6k s LEU 176 Cb -0.15 -1.98 -0.03 0.00 0.03 0.00 0.00 46.19 44.06 1b6k s LEU 176 CO 0.04 0.11 0.01 -0.69 0.23 0.00 0.00 176.35 176.04 1b6k s VAL 177 N 0.79 4.12 0.20 -1.59 1.01 -0.15 -0.15 120.40 124.63 1b6k s VAL 177 Ca 0.04 -0.26 -0.22 0.00 0.00 0.00 0.00 61.98 61.55 1b6k s VAL 177 Cb -0.13 -2.85 0.08 0.00 0.00 0.00 0.00 36.38 33.47 1b6k s VAL 177 CO 0.02 0.44 1.03 -0.83 0.00 0.00 0.00 175.10 175.77 1b6k s GLY 178 N 0.75 0.16 -1.21 4.51 0.00 -0.88 -0.87 107.32 109.79 1b6k s GLY 178 Ca 0.01 -0.41 -0.22 0.00 0.00 0.00 0.00 44.72 44.10 1b6k s GLY 178 CO 0.02 2.59 1.88 2.56 0.00 0.00 0.00 173.10 180.15 1b6k s PRO 179 N -2.08 2.86 -0.03 2.90 0.04 -1.26 -2.24 135.00 135.18 1b6k s PRO 179 Ca 0.23 -1.35 0.04 0.00 0.04 0.00 0.00 61.00 59.96 1b6k s PRO 179 Cb -0.03 -5.31 -0.03 0.00 0.04 0.00 0.00 34.50 29.17 1b6k s PRO 179 CO 0.06 -3.55 -0.14 -0.08 0.04 0.00 0.00 177.00 173.32 1b6k s THR 180 N 9.35 3.06 0.30 1.26 -1.32 -1.26 -5.02 115.64 122.01 1b6k s THR 180 Ca 0.65 -0.81 0.19 0.00 -1.21 0.00 0.00 61.69 60.51 1b6k s THR 180 Cb 0.00 -2.22 0.16 0.00 -1.51 0.00 0.00 72.50 68.93 1b6k s THR 180 CO 0.12 0.53 1.85 -0.65 -2.21 0.00 0.00 174.62 174.26 1b6k h PRO 181 N 5.14 0.00 -4.19 7.08 0.11 -2.00 -3.43 132.00 134.71 1b6k h PRO 181 Ca -0.47 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.41 1b6k h PRO 181 Cb 1.15 0.00 -0.23 0.00 0.11 0.00 0.00 31.00 32.04 1b6k h PRO 181 CO 0.50 0.31 -0.72 0.08 -0.21 0.00 0.00 178.00 177.96 1b6k s VAL 182 N -3.96 0.28 0.04 3.15 1.01 -1.26 -5.08 120.40 114.57 1b6k s VAL 182 Ca -0.02 -0.81 -0.30 0.00 0.00 0.00 0.00 61.98 60.86 1b6k s VAL 182 Cb 0.13 -0.36 -0.04 0.00 0.00 0.00 0.00 36.38 36.10 1b6k s VAL 182 CO 0.67 -0.35 0.98 0.20 0.00 0.00 0.00 175.10 176.61 1b6k s ASN 183 N -1.22 7.40 -0.16 3.32 0.01 -1.26 -4.66 114.94 118.36 1b6k s ASN 183 Ca -0.10 1.71 0.01 0.00 -0.71 0.00 0.00 52.86 53.77 1b6k s ASN 183 Cb -0.08 -2.58 0.02 0.00 0.41 0.00 0.00 41.25 39.02 1b6k s ASN 183 CO -0.00 -0.21 -0.19 -0.63 -1.51 0.00 0.00 177.10 174.55 1b6k s ILE 184 N 0.71 1.95 -0.33 0.60 1.01 0.94 -0.66 121.20 125.42 1b6k s ILE 184 Ca 0.51 -0.88 -0.16 0.00 0.00 0.00 0.00 60.65 60.12 1b6k s ILE 184 Cb -0.22 -1.76 -0.01 0.00 0.01 0.00 0.00 42.46 40.48 1b6k s ILE 184 CO 0.29 0.52 0.39 -0.63 0.00 0.00 0.00 174.94 175.51 1b6k s ILE 185 N 1.18 5.14 0.60 2.92 -1.09 0.09 -0.84 121.20 129.21 1b6k s ILE 185 Ca 0.01 0.16 0.04 0.00 -2.23 0.00 0.00 60.65 58.63 1b6k s ILE 185 Cb -0.14 -3.83 0.11 0.00 -1.58 0.00 0.00 42.46 37.02 1b6k s ILE 185 CO -0.09 -0.08 0.83 0.61 -1.23 0.00 0.00 174.94 174.97 1b6k n GLY 186 N 4.90 1.23 0.34 6.18 0.00 -1.21 -1.40 105.19 115.23 1b6k n GLY 186 Ca -0.08 -2.11 0.17 0.00 0.00 0.00 0.00 46.02 44.00 1b6k n GLY 186 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1b6k h ARG 187 N 0.00 0.00 -0.16 1.61 3.08 -1.30 -1.34 114.38 116.27 1b6k h ARG 187 Ca -0.28 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.76 1b6k h ARG 187 Cb 1.12 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.16 1b6k h ARG 187 CO 0.33 0.00 0.04 -2.95 -1.07 0.00 0.00 179.97 176.33 1b6k h ASN 188 N 0.00 0.20 0.00 7.04 -1.07 -1.82 -2.50 115.58 117.43 1b6k h ASN 188 Ca 0.15 -0.01 -0.37 0.00 0.07 0.00 0.00 56.30 56.13 1b6k h ASN 188 Cb 0.65 -0.05 -0.07 0.00 -2.07 0.00 0.00 38.32 36.78 1b6k h ASN 188 CO -0.00 0.21 -2.40 0.18 0.07 0.00 0.00 177.43 175.49 1b6k n LEU 189 N -4.45 0.64 -0.14 6.14 4.32 -0.62 -4.42 117.00 118.47 1b6k n LEU 189 Ca -0.01 -0.03 -0.01 0.00 -0.02 0.00 0.00 56.01 55.95 1b6k n LEU 189 Cb 0.13 0.20 0.24 0.00 -1.62 0.00 0.00 43.42 42.37 1b6k n LEU 189 CO 0.35 0.59 1.09 -0.07 -1.22 0.00 0.00 177.39 178.14 1b6k h LEU 190 N 0.00 0.76 -1.04 2.23 3.38 -1.18 -2.21 115.31 117.25 1b6k h LEU 190 Ca -0.55 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.29 1b6k h LEU 190 Cb 2.16 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 42.69 1b6k h LEU 190 CO 0.00 0.66 0.15 0.71 0.09 0.00 0.00 178.44 180.05 1b6k h THR 191 N 0.84 1.22 0.00 0.22 1.35 -1.67 -2.80 112.91 112.07 1b6k h THR 191 Ca 0.21 -0.79 -0.03 0.00 -0.55 0.00 0.00 66.41 65.25 1b6k h THR 191 Cb 0.11 0.64 -0.00 0.00 -1.73 0.00 0.00 68.15 67.16 1b6k h THR 191 CO -0.03 0.30 -0.15 1.56 -0.25 0.00 0.00 175.52 176.95 1b6k h GLN 192 N 0.81 0.00 -0.42 4.72 4.20 -1.61 -1.62 115.11 121.20 1b6k h GLN 192 Ca 0.18 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.89 1b6k h GLN 192 Cb 0.27 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.05 1b6k h GLN 192 CO -0.00 0.15 0.00 0.44 -0.67 0.00 0.00 178.83 178.74 1b6k n ILE 193 N -4.35 0.55 -1.69 2.54 -5.35 -1.08 -4.99 119.36 104.99 1b6k n ILE 193 Ca -0.03 -0.69 0.00 0.00 -0.27 0.00 0.00 62.75 61.77 1b6k n ILE 193 Cb 0.22 0.66 0.00 0.00 -1.74 0.00 0.00 39.64 38.77 1b6k n ILE 193 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1b6k n GLY 194 N 1.42 -4.51 0.00 3.28 0.00 -0.61 -5.11 105.19 99.66 1b6k n GLY 194 Ca 0.19 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1b6k n GLY 194 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1b6k n THR 196 N 1.01 0.00 -4.05 2.61 -2.24 -1.26 -5.03 114.28 105.32 1b6k n THR 196 Ca 0.00 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.43 1b6k n THR 196 Cb 0.00 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.12 1b6k n THR 196 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1b6k s LEU 197 N 0.00 3.60 -0.03 3.22 1.43 -1.26 -5.10 118.68 120.54 1b6k s LEU 197 Ca 0.00 -0.03 0.03 0.00 -1.03 0.00 0.00 54.13 53.10 1b6k s LEU 197 Cb 0.00 -1.91 0.00 0.00 0.03 0.00 0.00 46.19 44.31 1b6k s LEU 197 CO 0.00 0.13 -0.12 0.20 0.23 0.00 0.00 176.35 176.79 1b6k s ASN 198 N 0.62 1.55 0.00 2.29 -0.87 -1.26 -5.30 114.94 111.98 1b6k s ASN 198 Ca 0.02 -0.25 0.00 0.00 -1.57 0.00 0.00 52.86 51.06 1b6k s ASN 198 Cb -0.13 -0.41 0.00 0.00 -0.02 0.00 0.00 41.25 40.68 1b6k s ASN 198 CO 0.02 0.10 0.00 2.22 -2.57 0.00 0.00 177.10 176.87