#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1avo s VAL 104 N 0.00 5.22 0.55 0.00 1.01 -1.26 -5.07 120.40 120.85 1avo s VAL 104 Ca 0.00 0.18 -0.00 0.00 0.00 0.00 0.00 61.98 62.16 1avo s VAL 104 Cb 0.00 -3.71 0.03 0.00 0.00 0.00 0.00 36.38 32.70 1avo s VAL 104 CO 0.00 0.06 0.79 0.20 0.00 0.00 0.00 175.10 176.15 1avo s ASN 105 N 1.71 5.33 0.90 3.32 0.01 -1.26 -5.09 114.94 119.86 1avo s ASN 105 Ca 0.11 0.12 -0.12 0.00 -0.71 0.00 0.00 52.86 52.26 1avo s ASN 105 Cb -0.16 -1.05 0.13 0.00 0.41 0.00 0.00 41.25 40.58 1avo s ASN 105 CO 0.11 -1.12 1.10 0.00 -1.51 0.00 0.00 177.10 175.68 1avo s ASN 107 N -3.56 6.29 0.18 0.00 3.84 -1.26 -4.92 114.94 115.51 1avo s ASN 107 Ca 0.63 -0.53 -0.19 0.00 0.21 0.00 0.00 52.86 52.98 1avo s ASN 107 Cb -0.17 -2.43 0.13 0.00 -0.55 0.00 0.00 41.25 38.23 1avo s ASN 107 CO 0.56 -1.28 1.61 -0.33 -2.79 0.00 0.00 177.10 174.88 1avo h GLU 108 N 9.37 -0.13 -0.27 0.43 5.08 -1.99 -1.08 114.58 126.00 1avo h GLU 108 Ca -0.27 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.18 1avo h GLU 108 Cb 1.07 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.34 1avo h GLU 108 CO 1.11 -0.09 0.29 0.87 -1.00 0.00 0.00 179.01 180.20 1avo h LYS 109 N -0.13 0.00 0.00 2.33 1.57 -2.00 -1.71 116.57 116.62 1avo h LYS 109 Ca 0.23 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.81 1avo h LYS 109 Cb 0.49 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.78 1avo h LYS 109 CO -0.58 0.00 -1.08 0.82 -0.57 0.00 0.00 179.45 178.03 1avo h ILE 110 N 0.00 1.04 -1.01 1.86 2.04 -1.70 -3.17 117.51 116.58 1avo h ILE 110 Ca 0.13 -2.21 0.23 0.00 1.00 0.00 0.00 64.86 64.01 1avo h ILE 110 Cb 0.71 2.40 -0.11 0.00 -0.74 0.00 0.00 36.82 39.08 1avo h ILE 110 CO -0.00 0.36 0.62 0.58 0.00 0.00 0.00 178.15 179.71 1avo h VAL 111 N -0.98 0.58 -0.22 1.67 2.07 -0.71 0.23 116.25 118.90 1avo h VAL 111 Ca -0.30 -0.20 -0.17 0.00 0.82 0.00 0.00 66.70 66.86 1avo h VAL 111 Cb 1.27 -0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1avo h VAL 111 CO -0.18 0.11 -0.54 -0.37 0.02 0.00 0.00 177.57 176.61 1avo h VAL 112 N 0.59 1.31 -0.70 2.57 -1.51 -1.47 -0.79 116.25 116.23 1avo h VAL 112 Ca 0.61 -1.76 -0.06 0.00 -1.23 0.00 0.00 66.70 64.26 1avo h VAL 112 Cb 1.20 1.71 -0.03 0.00 -2.13 0.00 0.00 31.29 32.04 1avo h VAL 112 CO -0.40 0.56 0.21 -0.07 -1.23 0.00 0.00 177.57 176.63 1avo h LEU 113 N 0.50 1.04 -1.67 4.19 3.38 -0.68 -1.08 115.31 120.98 1avo h LEU 113 Ca 0.01 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 1avo h LEU 113 Cb 1.10 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 1avo h LEU 113 CO 0.11 0.98 -0.08 -0.07 0.09 0.00 0.00 178.44 179.47 1avo h LEU 114 N 1.04 0.10 -1.81 1.67 3.38 -0.38 -0.08 115.31 119.23 1avo h LEU 114 Ca 0.22 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.15 1avo h LEU 114 Cb 0.32 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 1avo h LEU 114 CO -0.00 0.20 -0.15 1.56 0.09 0.00 0.00 178.44 180.14 1avo h GLN 115 N 0.11 0.00 0.00 1.13 1.08 0.18 -1.17 115.11 116.44 1avo h GLN 115 Ca 0.02 0.00 -0.20 0.00 -1.45 0.00 0.00 58.65 57.03 1avo h GLN 115 Cb 0.21 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.61 1avo h GLN 115 CO 0.01 0.15 -1.75 0.54 -0.95 0.00 0.00 178.83 176.83 1avo n ARG 116 N -3.78 0.64 -0.05 1.46 1.74 -0.15 -4.42 116.66 112.11 1avo n ARG 116 Ca -0.02 0.11 -0.13 0.00 -0.77 0.00 0.00 57.85 57.04 1avo n ARG 116 Cb 0.25 -1.69 -0.12 0.00 -1.02 0.00 0.00 32.46 29.88 1avo n ARG 116 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1avo h LEU 117 N 0.00 -0.01 -0.96 0.55 5.85 -0.96 -3.34 115.31 116.44 1avo h LEU 117 Ca -0.24 -0.84 0.30 0.00 0.84 0.00 0.00 57.88 57.94 1avo h LEU 117 Cb 1.67 0.00 -0.16 0.00 0.37 0.00 0.00 40.66 42.54 1avo h LEU 117 CO 0.04 0.87 0.32 0.11 -0.34 0.00 0.00 178.44 179.43 1avo h LYS 118 N -0.91 0.13 -0.18 1.25 1.57 -1.43 0.38 116.57 117.38 1avo h LYS 118 Ca -0.00 -0.01 -0.11 0.00 -1.87 0.00 0.00 60.65 58.66 1avo h LYS 118 Cb 0.85 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.12 1avo h LYS 118 CO 0.00 0.09 -0.36 -1.35 -0.57 0.00 0.00 179.45 177.26 1avo h PRO 119 N 0.13 0.38 -0.23 3.15 0.11 -1.80 -1.84 132.00 131.90 1avo h PRO 119 Ca 0.66 -0.17 -0.10 0.00 0.11 0.00 0.00 66.00 66.51 1avo h PRO 119 Cb 1.50 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.59 1avo h PRO 119 CO -0.74 0.69 -0.27 0.93 -0.21 0.00 0.00 178.00 178.40 1avo h GLU 120 N 0.32 0.45 -0.05 1.05 4.39 -0.40 -1.70 114.58 118.65 1avo h GLU 120 Ca 0.04 -0.18 -0.01 0.00 0.34 0.00 0.00 59.36 59.55 1avo h GLU 120 Cb 0.79 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.41 1avo h GLU 120 CO 0.06 0.69 -0.02 0.82 -1.16 0.00 0.00 179.01 179.40 1avo h ILE 121 N 0.40 1.32 -0.98 3.13 2.04 -0.88 -2.51 117.51 120.03 1avo h ILE 121 Ca 0.06 -1.00 0.12 0.00 1.00 0.00 0.00 64.86 65.04 1avo h ILE 121 Cb 0.69 1.88 -0.08 0.00 -0.74 0.00 0.00 36.82 38.57 1avo h ILE 121 CO 0.05 0.27 0.60 0.50 0.00 0.00 0.00 178.15 179.58 1avo h LYS 122 N -0.27 0.93 -0.33 2.37 3.64 -1.22 -2.37 116.57 119.31 1avo h LYS 122 Ca 0.01 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.30 1avo h LYS 122 Cb 0.45 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 1avo h LYS 122 CO 0.01 0.61 0.07 -0.44 -2.27 0.00 0.00 179.45 177.43 1avo h ASP 123 N 0.95 0.51 0.07 4.20 3.32 -1.10 -2.34 116.42 122.02 1avo h ASP 123 Ca 0.49 -0.24 -0.00 0.00 0.02 0.00 0.00 57.03 57.29 1avo h ASP 123 Cb 0.49 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.90 1avo h ASP 123 CO -0.27 0.62 -0.03 -0.37 -1.72 0.00 0.00 179.24 177.46 1avo h VAL 124 N 0.38 1.06 -0.80 -1.35 -1.51 -1.12 -1.63 116.25 111.28 1avo h VAL 124 Ca 0.10 -0.43 0.13 0.00 -1.23 0.00 0.00 66.70 65.27 1avo h VAL 124 Cb 0.31 1.34 -0.06 0.00 -2.13 0.00 0.00 31.29 30.75 1avo h VAL 124 CO 0.00 0.11 0.52 0.40 -1.23 0.00 0.00 177.57 177.37 1avo h ILE 125 N -0.29 0.85 -0.02 7.19 1.08 -1.43 0.34 117.51 125.23 1avo h ILE 125 Ca -0.01 -0.19 -0.21 0.00 -0.39 0.00 0.00 64.86 64.05 1avo h ILE 125 Cb 0.25 0.23 0.02 0.00 -3.07 0.00 0.00 36.82 34.24 1avo h ILE 125 CO 0.02 0.10 -0.82 -0.33 -0.69 0.00 0.00 178.15 176.43 1avo h GLU 126 N 0.57 0.59 -0.50 2.37 5.08 -1.18 -2.71 114.58 118.80 1avo h GLU 126 Ca 0.39 -0.61 -0.06 0.00 -1.00 0.00 0.00 59.36 58.08 1avo h GLU 126 Cb 0.70 0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.10 1avo h GLU 126 CO -0.15 1.22 0.09 1.96 -1.00 0.00 0.00 179.01 181.13 1avo h GLN 127 N 0.21 0.82 -0.03 2.33 1.08 -0.55 -0.96 115.11 118.00 1avo h GLN 127 Ca -0.10 -0.21 0.01 0.00 -1.45 0.00 0.00 58.65 56.90 1avo h GLN 127 Cb 1.49 -0.10 -0.00 0.00 -0.05 0.00 0.00 27.48 28.82 1avo h GLN 127 CO 0.16 0.81 0.03 1.25 -0.95 0.00 0.00 178.83 180.13 1avo h LEU 128 N 0.70 0.00 0.04 1.46 5.85 -0.41 -0.37 115.31 122.58 1avo h LEU 128 Ca 0.15 0.00 -0.26 0.00 0.84 0.00 0.00 57.88 58.61 1avo h LEU 128 Cb 0.38 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 1avo h LEU 128 CO 0.01 0.00 -1.35 0.78 -0.34 0.00 0.00 178.44 177.54 1avo h ASN 129 N 0.00 0.14 0.49 1.25 2.35 -0.88 -2.81 115.58 116.11 1avo h ASN 129 Ca 0.01 -0.19 -0.02 0.00 -0.55 0.00 0.00 56.30 55.55 1avo h ASN 129 Cb 0.07 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.40 1avo h ASN 129 CO -0.00 1.15 -0.23 -0.07 -1.65 0.00 0.00 177.43 176.63 1avo h LEU 130 N 0.02 -0.55 -0.58 1.61 4.07 0.01 -2.47 115.31 117.43 1avo h LEU 130 Ca -0.16 -0.07 0.12 0.00 0.08 0.00 0.00 57.88 57.85 1avo h LEU 130 Cb 1.92 0.14 -0.09 0.00 1.08 0.00 0.00 40.66 43.70 1avo h LEU 130 CO 0.13 -0.21 0.02 0.58 -1.08 0.00 0.00 178.44 177.88 1avo h VAL 131 N -0.93 0.55 -0.31 1.22 2.07 -1.33 0.29 116.25 117.81 1avo h VAL 131 Ca -0.07 -0.05 0.02 0.00 0.82 0.00 0.00 66.70 67.43 1avo h VAL 131 Cb 0.59 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 1avo h VAL 131 CO 0.11 0.03 0.15 0.74 0.02 0.00 0.00 177.57 178.62 1avo h THR 132 N 0.14 0.98 -0.06 2.57 2.02 -1.51 0.36 112.91 117.41 1avo h THR 132 Ca 0.30 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.37 1avo h THR 132 Cb 0.47 0.63 -0.00 0.00 -1.74 0.00 0.00 68.15 67.51 1avo h THR 132 CO -0.47 0.06 0.04 0.74 0.37 0.00 0.00 175.52 176.25 1avo h THR 133 N 0.32 1.02 -0.52 3.16 2.02 -0.58 0.26 112.91 118.59 1avo h THR 133 Ca 0.13 -0.03 0.10 0.00 0.77 0.00 0.00 66.41 67.38 1avo h THR 133 Cb 0.05 0.94 -0.10 0.00 -1.74 0.00 0.00 68.15 67.30 1avo h THR 133 CO -0.10 0.02 -0.16 -0.25 0.37 0.00 0.00 175.52 175.40 1avo h TRP 134 N 0.07 -0.36 -0.22 3.16 7.01 0.06 0.35 115.95 126.02 1avo h TRP 134 Ca 0.02 0.05 0.01 0.00 2.11 0.00 0.00 58.89 61.07 1avo h TRP 134 Cb -0.01 0.24 -0.01 0.00 -2.10 0.00 0.00 29.16 27.28 1avo h TRP 134 CO -0.07 -0.25 0.14 1.25 -2.79 0.00 0.00 178.44 176.71 1avo h LEU 135 N -0.03 0.23 -1.01 0.65 5.85 -0.24 -2.17 115.31 118.59 1avo h LEU 135 Ca 0.25 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.96 1avo h LEU 135 Cb 0.41 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.34 1avo h LEU 135 CO -0.55 0.17 0.58 1.56 -0.34 0.00 0.00 178.44 179.86 1avo h GLN 136 N 0.28 1.26 0.00 1.25 4.20 0.75 -0.08 115.11 122.78 1avo h GLN 136 Ca 0.08 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1avo h GLN 136 Cb -0.02 -0.27 0.00 0.00 0.30 0.00 0.00 27.48 27.49 1avo h GLN 136 CO -0.03 0.86 0.00 1.28 -0.67 0.00 0.00 178.83 180.28 1avo n LEU 137 N -4.36 0.30 0.03 1.46 4.77 -0.01 -1.07 117.00 118.12 1avo n LEU 137 Ca 0.11 0.61 0.12 0.00 -0.03 0.00 0.00 56.01 56.82 1avo n LEU 137 Cb 0.05 -0.62 0.29 0.00 -2.33 0.00 0.00 43.42 40.81 1avo n LEU 137 CO 0.38 -0.61 0.52 0.00 -1.33 0.00 0.00 177.39 176.35 1avo n GLN 138 N -1.88 0.13 -2.08 3.23 3.00 -0.05 -4.87 117.38 114.86 1avo n GLN 138 Ca 0.01 0.05 -0.42 0.00 -0.01 0.00 0.00 57.00 56.62 1avo n GLN 138 Cb 0.08 -1.59 -0.03 0.00 0.00 0.00 0.00 30.24 28.70 1avo n GLN 138 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 1avo s ILE 139 N -3.07 3.50 0.79 5.09 1.01 -0.23 -4.86 121.20 123.42 1avo s ILE 139 Ca 0.10 0.82 -0.12 0.00 0.00 0.00 0.00 60.65 61.45 1avo s ILE 139 Cb 0.16 -3.53 0.07 0.00 0.01 0.00 0.00 42.46 39.17 1avo s ILE 139 CO 0.67 -0.03 1.13 -2.16 0.00 0.00 0.00 174.94 174.56 1avo s PRO 140 N 3.00 2.15 0.23 2.79 0.04 -1.26 -4.99 135.00 136.96 1avo s PRO 140 Ca 0.69 0.34 -0.32 0.00 0.04 0.00 0.00 61.00 61.76 1avo s PRO 140 Cb -0.34 -1.95 -0.13 0.00 0.04 0.00 0.00 34.50 32.12 1avo s PRO 140 CO 0.29 -1.51 1.46 -2.13 0.04 0.00 0.00 177.00 175.15 1avo n ARG 141 N -3.30 2.13 -1.90 4.56 0.63 -1.26 -4.81 116.66 112.71 1avo n ARG 141 Ca 0.07 0.76 -0.43 0.00 -0.92 0.00 0.00 57.85 57.34 1avo n ARG 141 Cb 0.59 -2.45 -0.03 0.00 0.45 0.00 0.00 32.46 31.02 1avo n ARG 141 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1avo s ILE 142 N 0.17 3.39 0.27 5.15 1.01 -1.26 -4.95 121.20 124.98 1avo s ILE 142 Ca 0.70 0.44 0.07 0.00 0.00 0.00 0.00 60.65 61.86 1avo s ILE 142 Cb -0.64 -3.39 -0.06 0.00 0.01 0.00 0.00 42.46 38.38 1avo s ILE 142 CO 0.47 -0.16 -0.08 -1.61 0.00 0.00 0.00 174.94 173.56 1avo s GLU 143 N 4.98 1.53 0.14 2.79 2.02 -1.26 -5.08 118.70 123.82 1avo s GLU 143 Ca 0.82 -1.76 -0.13 0.00 0.02 0.00 0.00 54.97 53.92 1avo s GLU 143 Cb -0.31 -1.19 0.01 0.00 0.10 0.00 0.00 34.13 32.74 1avo s GLU 143 CO 0.33 0.08 1.60 0.22 0.02 0.00 0.00 175.26 177.50 1avo h ASP 144 N 2.32 0.79 -3.25 -0.19 3.58 -2.04 -3.47 116.42 114.16 1avo h ASP 144 Ca -0.40 -0.30 -0.47 0.00 0.42 0.00 0.00 57.03 56.28 1avo h ASP 144 Cb 1.23 -0.21 -0.14 0.00 1.72 0.00 0.00 39.33 41.93 1avo h ASP 144 CO 0.66 0.89 -0.61 -0.83 -2.88 0.00 0.00 179.24 176.48 1avo s GLY 145 N -3.37 2.08 -0.28 -0.78 0.00 -1.26 -4.92 107.32 98.79 1avo s GLY 145 Ca -0.13 -2.06 -0.01 0.00 0.00 0.00 0.00 44.72 42.52 1avo s GLY 145 CO 0.81 -1.82 0.26 -2.01 0.00 0.00 0.00 173.10 170.34 1avo n ASN 146 N -0.69 -3.70 -0.23 1.64 5.15 -1.26 -5.01 115.26 111.17 1avo n ASN 146 Ca -0.02 -0.12 0.08 0.00 -0.60 0.00 0.00 54.58 53.92 1avo n ASN 146 Cb 0.67 -2.22 0.13 0.00 -0.53 0.00 0.00 39.78 37.83 1avo n ASN 146 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1avo n ASN 147 N -1.62 1.96 0.10 1.20 3.02 -1.26 -4.72 115.26 113.94 1avo n ASN 147 Ca -0.01 -3.06 -0.13 0.00 -0.03 0.00 0.00 54.58 51.35 1avo n ASN 147 Cb 0.52 -0.42 -0.08 0.00 -0.61 0.00 0.00 39.78 39.19 1avo n ASN 147 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1avo h PHE 148 N 0.17 -0.20 -0.90 3.10 3.57 -1.95 0.45 116.94 121.17 1avo h PHE 148 Ca -0.01 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.57 1avo h PHE 148 Cb 1.07 0.07 -0.06 0.00 2.79 0.00 0.00 35.95 39.81 1avo h PHE 148 CO 0.13 0.06 0.59 0.78 -2.23 0.00 0.00 178.31 177.63 1avo h GLY 149 N -0.46 1.32 1.03 2.40 0.00 -1.84 0.34 103.07 105.86 1avo h GLY 149 Ca -0.02 -0.40 -0.02 0.00 0.00 0.00 0.00 47.33 46.88 1avo h GLY 149 CO 0.04 0.27 0.45 -2.08 0.00 0.00 0.00 176.54 175.22 1avo h VAL 150 N 0.98 1.26 -0.63 4.60 2.07 -1.60 -0.25 116.25 122.68 1avo h VAL 150 Ca 0.40 -0.68 -0.04 0.00 0.82 0.00 0.00 66.70 67.20 1avo h VAL 150 Cb 0.27 0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 30.12 1avo h VAL 150 CO -0.16 0.30 0.24 0.00 0.02 0.00 0.00 177.57 177.97 1avo h ALA 151 N 1.25 1.23 -0.54 1.67 0.00 0.35 -1.59 119.26 121.63 1avo h ALA 151 Ca 0.30 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 1avo h ALA 151 Cb 0.07 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1avo h ALA 151 CO -0.04 0.56 -0.06 0.28 0.00 0.00 0.00 179.25 179.98 1avo h VAL 152 N 0.91 1.27 -0.36 0.00 2.07 0.26 -2.36 116.25 118.03 1avo h VAL 152 Ca 0.21 -1.20 -0.08 0.00 0.82 0.00 0.00 66.70 66.46 1avo h VAL 152 Cb 0.20 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 1avo h VAL 152 CO -0.02 0.42 -0.10 1.56 0.02 0.00 0.00 177.57 179.46 1avo h GLN 153 N 0.86 0.61 -0.23 1.57 4.20 -0.69 -2.75 115.11 118.68 1avo h GLN 153 Ca 0.14 -0.18 -0.08 0.00 0.06 0.00 0.00 58.65 58.59 1avo h GLN 153 Cb 0.61 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.31 1avo h GLN 153 CO 0.04 0.70 -0.22 0.93 -0.67 0.00 0.00 178.83 179.62 1avo h GLU 154 N 0.57 0.42 -0.10 1.46 5.08 -1.05 -1.24 114.58 119.72 1avo h GLU 154 Ca 0.10 -0.14 -0.20 0.00 -1.00 0.00 0.00 59.36 58.12 1avo h GLU 154 Cb 0.50 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1avo h GLU 154 CO 0.03 0.62 -0.75 -0.22 -1.00 0.00 0.00 179.01 177.68 1avo h LYS 155 N 0.38 0.54 -0.35 2.33 1.63 -1.18 -2.08 116.57 117.85 1avo h LYS 155 Ca 0.06 -0.45 -0.11 0.00 -0.85 0.00 0.00 60.65 59.30 1avo h LYS 155 Cb 0.59 0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 32.31 1avo h LYS 155 CO 0.04 1.08 -0.22 0.28 -3.45 0.00 0.00 179.45 177.18 1avo h VAL 156 N 0.37 1.29 -0.83 2.00 2.07 -1.41 -2.94 116.25 116.80 1avo h VAL 156 Ca -0.04 -1.36 0.08 0.00 0.82 0.00 0.00 66.70 66.20 1avo h VAL 156 Cb 1.35 1.40 -0.07 0.00 -1.52 0.00 0.00 31.29 32.46 1avo h VAL 156 CO 0.14 0.45 0.50 0.15 0.02 0.00 0.00 177.57 178.82 1avo h PHE 157 N 0.55 0.91 -0.98 1.57 3.57 -1.21 0.66 116.94 122.01 1avo h PHE 157 Ca 0.07 0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.69 1avo h PHE 157 Cb 0.77 -0.28 -0.08 0.00 2.79 0.00 0.00 35.95 39.15 1avo h PHE 157 CO 0.06 0.42 0.62 0.93 -2.23 0.00 0.00 178.31 178.11 1avo h GLU 158 N 0.87 1.02 -0.00 1.11 5.08 -1.20 -1.15 114.58 120.30 1avo h GLU 158 Ca 0.38 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.68 1avo h GLU 158 Cb 0.27 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 1avo h GLU 158 CO -0.21 0.67 -0.00 1.25 -1.00 0.00 0.00 179.01 179.72 1avo h LEU 159 N 1.05 0.01 -0.82 1.33 5.85 -0.81 -2.65 115.31 119.25 1avo h LEU 159 Ca 0.46 -0.34 0.16 0.00 0.84 0.00 0.00 57.88 59.00 1avo h LEU 159 Cb 0.34 -0.00 -0.10 0.00 0.37 0.00 0.00 40.66 41.27 1avo h LEU 159 CO -0.22 0.34 0.39 0.24 -0.34 0.00 0.00 178.44 178.85 1avo h MET 160 N -0.33 0.52 -0.51 1.25 2.86 -0.87 -0.53 114.93 117.33 1avo h MET 160 Ca 0.00 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1avo h MET 160 Cb 0.34 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.86 1avo h MET 160 CO 0.00 0.34 0.31 1.15 1.06 0.00 0.00 176.91 179.77 1avo h THR 161 N 0.53 1.14 -0.02 2.22 2.02 -1.09 0.12 112.91 117.85 1avo h THR 161 Ca 0.46 -0.32 -0.10 0.00 0.77 0.00 0.00 66.41 67.22 1avo h THR 161 Cb 0.70 0.43 0.01 0.00 -1.74 0.00 0.00 68.15 67.54 1avo h THR 161 CO -0.40 0.15 -0.37 0.28 0.37 0.00 0.00 175.52 175.56 1avo h SER 162 N 0.70 0.36 -0.65 4.18 0.02 -0.78 -2.30 113.55 115.08 1avo h SER 162 Ca 0.18 -0.73 0.13 0.00 -0.84 0.00 0.00 61.79 60.53 1avo h SER 162 Cb -0.03 -0.11 -0.09 0.00 0.14 0.00 0.00 62.40 62.31 1avo h SER 162 CO -0.04 1.04 0.15 -0.07 -1.14 0.00 0.00 176.83 176.78 1avo h LEU 163 N -0.29 0.03 0.16 5.07 3.38 -0.98 0.15 115.31 122.82 1avo h LEU 163 Ca -0.04 0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1avo h LEU 163 Cb 1.08 0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.99 1avo h LEU 163 CO 0.07 0.01 -0.08 -0.74 0.09 0.00 0.00 178.44 177.79 1avo h HIS 164 N 0.28 -0.20 -0.63 1.13 2.76 -0.91 -0.20 115.15 117.38 1avo h HIS 164 Ca 0.35 -0.00 0.13 0.00 -2.20 0.00 0.00 60.37 58.65 1avo h HIS 164 Cb 0.54 0.07 -0.11 0.00 1.55 0.00 0.00 27.41 29.46 1avo h HIS 164 CO -0.25 -0.07 0.00 1.15 -1.30 0.00 0.00 177.93 177.47 1avo h THR 165 N -0.29 0.48 0.06 6.26 2.02 -0.74 0.17 112.91 120.87 1avo h THR 165 Ca -0.02 -0.04 -0.00 0.00 0.77 0.00 0.00 66.41 67.11 1avo h THR 165 Cb 0.22 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 66.98 1avo h THR 165 CO 0.04 0.02 -0.03 0.50 0.37 0.00 0.00 175.52 176.42 1avo h LYS 166 N 0.12 -0.08 0.00 6.66 3.64 -0.28 -3.17 116.57 123.47 1avo h LYS 166 Ca 0.33 0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.61 1avo h LYS 166 Cb 0.54 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.36 1avo h LYS 166 CO -0.54 -0.00 -0.52 -0.07 -2.27 0.00 0.00 179.45 176.05 1avo h LEU 167 N -0.13 0.00 -1.66 5.20 3.38 -0.36 -3.06 115.31 118.68 1avo h LEU 167 Ca -0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1avo h LEU 167 Cb 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1avo h LEU 167 CO 0.01 0.52 -0.00 -0.08 0.09 0.00 0.00 178.44 178.98 1avo h GLU 168 N 0.00 0.20 -0.44 1.13 4.81 -0.66 -2.89 114.58 116.74 1avo h GLU 168 Ca -0.01 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.16 1avo h GLU 168 Cb 0.97 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.30 1avo h GLU 168 CO 0.07 0.23 0.10 0.78 -0.73 0.00 0.00 179.01 179.46 1avo h GLY 169 N 0.44 0.76 -0.56 1.92 0.00 -1.60 -3.13 103.07 100.89 1avo h GLY 169 Ca 0.05 -0.48 0.16 0.00 0.00 0.00 0.00 47.33 47.06 1avo h GLY 169 CO 0.00 0.44 -0.17 0.74 0.00 0.00 0.00 176.54 177.55 1avo h PHE 170 N 0.57 -0.38 -0.36 5.60 -1.00 -1.64 -1.72 116.94 118.01 1avo h PHE 170 Ca 0.14 0.07 0.03 0.00 2.81 0.00 0.00 57.97 61.02 1avo h PHE 170 Cb 0.32 0.29 -0.04 0.00 3.61 0.00 0.00 35.95 40.13 1avo h PHE 170 CO 0.02 -0.33 -0.22 0.72 -1.61 0.00 0.00 178.31 176.89 1avo n HIS 171 N -5.50 -0.16 0.18 -0.55 8.25 -1.18 -2.29 115.22 113.97 1avo n HIS 171 Ca 0.12 0.46 0.04 0.00 -0.26 0.00 0.00 57.72 58.07 1avo n HIS 171 Cb 0.41 -0.47 0.31 0.00 1.12 0.00 0.00 29.99 31.36 1avo n HIS 171 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 1avo h THR 172 N 0.00 1.07 0.00 1.59 1.35 -1.50 -3.19 112.91 112.24 1avo h THR 172 Ca 0.06 -1.62 0.00 0.00 -0.55 0.00 0.00 66.41 64.30 1avo h THR 172 Cb 0.15 1.94 0.00 0.00 -1.73 0.00 0.00 68.15 68.51 1avo h THR 172 CO -0.34 0.42 0.00 1.56 -0.25 0.00 0.00 175.52 176.91 1avo h GLN 173 N 0.00 0.00 0.13 4.72 4.20 -1.02 -2.65 115.11 120.49 1avo h GLN 173 Ca -0.00 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.47 1avo h GLN 173 Cb 0.90 0.00 0.03 0.00 0.30 0.00 0.00 27.48 28.71 1avo h GLN 173 CO 0.06 0.00 -1.01 0.82 -0.67 0.00 0.00 178.83 178.02 1avo h ILE 174 N 0.00 1.39 -0.33 2.54 2.04 -1.64 -2.97 117.51 118.54 1avo h ILE 174 Ca 0.00 -2.46 -0.14 0.00 1.00 0.00 0.00 64.86 63.27 1avo h ILE 174 Cb 0.00 2.92 -0.01 0.00 -0.74 0.00 0.00 36.82 38.99 1avo h ILE 174 CO 0.00 0.72 -0.35 0.28 0.00 0.00 0.00 178.15 178.80 1avo h SER 175 N -0.05 0.79 -0.69 1.72 0.02 -1.69 -2.64 113.55 111.02 1avo h SER 175 Ca -0.16 -0.34 0.05 0.00 -0.84 0.00 0.00 61.79 60.50 1avo h SER 175 Cb 1.75 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 64.03 1avo h SER 175 CO 0.19 1.06 0.45 0.50 -1.14 0.00 0.00 176.83 177.90 1avo h LYS 176 N 0.63 0.75 0.34 3.45 3.64 -1.58 -1.19 116.57 122.61 1avo h LYS 176 Ca 0.06 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1avo h LYS 176 Cb 0.89 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.53 1avo h LYS 176 CO 0.08 0.49 -0.26 -0.92 -2.27 0.00 0.00 179.45 176.57 1avo h TYR 177 N 0.77 -0.68 0.00 1.91 3.20 -1.29 0.66 116.97 121.53 1avo h TYR 177 Ca 0.28 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.12 1avo h TYR 177 Cb 0.16 0.25 -0.00 0.00 1.54 0.00 0.00 36.73 38.68 1avo h TYR 177 CO -0.00 -0.39 -0.16 0.74 -1.64 0.00 0.00 178.16 176.71 1avo h PHE 178 N -0.60 0.00 0.11 -3.82 0.04 -1.40 0.32 116.94 111.59 1avo h PHE 178 Ca -0.03 0.00 -0.19 0.00 2.80 0.00 0.00 57.97 60.55 1avo h PHE 178 Cb 0.52 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.69 1avo h PHE 178 CO -0.13 0.16 -0.83 1.03 -0.60 0.00 0.00 178.31 177.94 1avo h SER 179 N 0.00 0.54 -0.64 2.17 0.87 -0.43 -0.66 113.55 115.42 1avo h SER 179 Ca -0.00 -0.89 -0.08 0.00 -1.23 0.00 0.00 61.79 59.59 1avo h SER 179 Cb 0.35 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.11 1avo h SER 179 CO 0.02 1.38 0.09 -0.33 -0.53 0.00 0.00 176.83 177.46 1avo h GLU 180 N -0.22 1.06 -0.03 2.24 5.08 0.85 -2.27 114.58 121.29 1avo h GLU 180 Ca -0.13 -0.29 -0.01 0.00 -1.00 0.00 0.00 59.36 57.93 1avo h GLU 180 Cb 1.60 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.73 1avo h GLU 180 CO 0.16 0.99 -0.01 -0.09 -1.00 0.00 0.00 179.01 179.06 1avo h ARG 181 N 0.98 0.06 -0.70 2.33 2.43 -0.45 -2.06 114.38 116.97 1avo h ARG 181 Ca 0.19 -0.02 0.15 0.00 -0.81 0.00 0.00 59.98 59.49 1avo h ARG 181 Cb 0.45 -0.00 -0.11 0.00 -0.42 0.00 0.00 29.97 29.89 1avo h ARG 181 CO 0.02 0.42 0.07 0.78 -1.51 0.00 0.00 179.97 179.74 1avo h GLY 182 N -0.31 0.84 1.12 2.80 0.00 -0.99 0.15 103.07 106.69 1avo h GLY 182 Ca 0.01 0.05 -0.08 0.00 0.00 0.00 0.00 47.33 47.30 1avo h GLY 182 CO 0.00 -0.23 0.08 -0.55 0.00 0.00 0.00 176.54 175.85 1avo h ASP 183 N 0.17 1.03 -0.27 0.19 3.32 -1.39 -2.16 116.42 117.31 1avo h ASP 183 Ca 0.38 -0.25 -0.02 0.00 0.02 0.00 0.00 57.03 57.15 1avo h ASP 183 Cb 0.65 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 1avo h ASP 183 CO -0.56 1.03 0.07 0.00 -1.72 0.00 0.00 179.24 178.07 1avo h ALA 184 N 1.08 0.36 -0.64 3.45 0.00 -0.01 -2.16 119.26 121.34 1avo h ALA 184 Ca 0.19 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.97 1avo h ALA 184 Cb 0.46 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 1avo h ALA 184 CO 0.02 0.01 0.40 0.28 0.00 0.00 0.00 179.25 179.95 1avo h VAL 185 N 0.27 1.08 0.08 0.00 2.07 -1.04 0.18 116.25 118.90 1avo h VAL 185 Ca 0.09 -0.27 0.01 0.00 0.82 0.00 0.00 66.70 67.35 1avo h VAL 185 Cb 0.27 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 1avo h VAL 185 CO -0.00 0.14 -0.14 0.74 0.02 0.00 0.00 177.57 178.33 1avo h THR 186 N 0.78 0.67 -0.62 2.57 2.02 -1.30 0.13 112.91 117.16 1avo h THR 186 Ca 0.26 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.41 1avo h THR 186 Cb 0.02 0.67 -0.03 0.00 -1.74 0.00 0.00 68.15 67.08 1avo h THR 186 CO -0.10 0.00 0.26 0.11 0.37 0.00 0.00 175.52 176.16 1avo h LYS 187 N -0.28 0.92 -0.48 6.66 1.57 -0.95 0.11 116.57 124.12 1avo h LYS 187 Ca 0.02 -0.16 0.09 0.00 -1.87 0.00 0.00 60.65 58.73 1avo h LYS 187 Cb 0.29 -0.15 -0.08 0.00 0.08 0.00 0.00 32.23 32.38 1avo h LYS 187 CO -0.08 0.77 0.03 0.00 -0.57 0.00 0.00 179.45 179.60 1avo h ALA 188 N 1.10 0.48 0.07 3.86 0.00 -0.38 0.24 119.26 124.63 1avo h ALA 188 Ca 0.21 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.25 1avo h ALA 188 Cb 0.19 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1avo h ALA 188 CO -0.02 -0.37 -0.04 0.00 0.00 0.00 0.00 179.25 178.83 1avo h ALA 189 N 1.41 -0.10 0.00 0.00 0.00 -0.53 -2.34 119.26 117.70 1avo h ALA 189 Ca 0.24 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1avo h ALA 189 Cb 0.35 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1avo h ALA 189 CO -0.38 -0.47 -0.06 0.87 0.00 0.00 0.00 179.25 179.21 1avo h LYS 190 N -0.27 0.00 -2.09 0.00 1.57 -0.39 -3.28 116.57 112.10 1avo h LYS 190 Ca -0.01 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.20 1avo h LYS 190 Cb 0.23 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.14 1avo h LYS 190 CO 0.02 0.06 -0.90 1.04 -0.57 0.00 0.00 179.45 179.09 1avo n GLN 191 N -3.27 1.61 0.10 3.15 1.13 0.80 -4.93 117.38 115.97 1avo n GLN 191 Ca -0.01 -3.89 0.07 0.00 -1.94 0.00 0.00 57.00 51.23 1avo n GLN 191 Cb 0.25 -1.73 0.37 0.00 0.11 0.00 0.00 30.24 29.24 1avo n GLN 191 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 1avo n PRO 192 N 0.90 0.09 0.18 -1.09 -0.04 -0.90 -1.19 135.00 132.95 1avo n PRO 192 Ca 0.26 0.55 0.12 0.00 -0.04 0.00 0.00 63.50 64.38 1avo n PRO 192 Cb 0.49 -1.77 0.13 0.00 -0.04 0.00 0.00 33.50 32.32 1avo n PRO 192 CO 0.00 0.00 0.00 1.12 -0.04 0.00 0.00 175.50 176.58 1avo h HIS 193 N 0.00 0.00 -3.50 0.54 2.07 -1.91 -3.42 115.15 108.93 1avo h HIS 193 Ca 0.00 0.00 -0.66 0.00 -2.85 0.00 0.00 60.37 56.86 1avo h HIS 193 Cb 0.05 0.00 -0.15 0.00 2.57 0.00 0.00 27.41 29.88 1avo h HIS 193 CO 0.00 0.00 0.16 0.08 -3.07 0.00 0.00 177.93 175.10 1avo s VAL 194 N -3.25 4.79 -0.42 6.12 1.01 -0.33 -4.90 120.40 123.42 1avo s VAL 194 Ca 0.05 0.02 0.26 0.00 0.00 0.00 0.00 61.98 62.31 1avo s VAL 194 Cb 0.07 -4.26 0.33 0.00 0.00 0.00 0.00 36.38 32.52 1avo s VAL 194 CO 0.70 -0.68 1.72 1.23 0.00 0.00 0.00 175.10 178.07 1avo h GLY 195 N 9.82 0.00 2.00 4.51 0.00 -1.84 -3.23 103.07 114.33 1avo h GLY 195 Ca -0.26 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.03 1avo h GLY 195 CO 0.92 0.00 -0.18 -0.55 0.00 0.00 0.00 176.54 176.73 1avo h ASP 196 N 0.00 0.00 0.62 0.19 5.19 -1.95 -1.99 116.42 118.47 1avo h ASP 196 Ca 0.00 0.00 -0.16 0.00 -0.62 0.00 0.00 57.03 56.25 1avo h ASP 196 Cb 0.81 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.30 1avo h ASP 196 CO 0.00 0.18 -0.72 1.88 -3.12 0.00 0.00 179.24 177.46 1avo h TYR 197 N 0.00 0.11 0.00 4.55 0.05 -1.92 0.22 116.97 119.99 1avo h TYR 197 Ca -0.00 -0.05 -0.23 0.00 0.05 0.00 0.00 58.73 58.50 1avo h TYR 197 Cb 0.45 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.18 1avo h TYR 197 CO 0.00 0.77 -0.96 0.00 -1.05 0.00 0.00 178.16 176.92 1avo h ARG 198 N 0.05 0.43 -0.47 4.88 3.08 -1.58 -2.21 114.38 118.56 1avo h ARG 198 Ca -0.01 -0.47 -0.11 0.00 0.07 0.00 0.00 59.98 59.46 1avo h ARG 198 Cb 1.27 0.13 -0.02 0.00 0.08 0.00 0.00 29.97 31.43 1avo h ARG 198 CO 0.10 1.13 -0.16 1.96 -1.07 0.00 0.00 179.97 181.93 1avo h GLN 199 N 0.24 0.91 -0.08 0.04 1.08 -1.15 -2.85 115.11 113.30 1avo h GLN 199 Ca -0.08 -0.35 0.02 0.00 -1.45 0.00 0.00 58.65 56.79 1avo h GLN 199 Cb 1.59 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 28.95 1avo h GLN 199 CO 0.17 1.00 -0.04 1.25 -0.95 0.00 0.00 178.83 180.26 1avo h LEU 200 N 0.81 -0.13 -1.14 1.46 5.85 -0.46 0.61 115.31 122.30 1avo h LEU 200 Ca 0.12 0.03 0.18 0.00 0.84 0.00 0.00 57.88 59.06 1avo h LEU 200 Cb 0.69 0.07 -0.09 0.00 0.37 0.00 0.00 40.66 41.71 1avo h LEU 200 CO 0.05 -0.06 0.61 0.58 -0.34 0.00 0.00 178.44 179.29 1avo h VAL 201 N -0.03 0.73 0.00 1.05 2.07 -1.18 0.16 116.25 119.05 1avo h VAL 201 Ca 0.05 -0.24 -0.04 0.00 0.82 0.00 0.00 66.70 67.29 1avo h VAL 201 Cb 0.10 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 29.83 1avo h VAL 201 CO -0.10 0.13 -0.17 0.45 0.02 0.00 0.00 177.57 177.89 1avo h HIS 202 N 0.70 0.00 0.00 1.57 3.86 -1.02 -2.97 115.15 117.30 1avo h HIS 202 Ca 0.54 0.00 -0.21 0.00 -1.16 0.00 0.00 60.37 59.54 1avo h HIS 202 Cb 0.92 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.39 1avo h HIS 202 CO -0.00 0.17 -0.91 0.93 0.86 0.00 0.00 177.93 178.98 1avo h GLU 203 N 0.00 0.31 -0.58 2.45 4.39 0.14 -2.52 114.58 118.77 1avo h GLU 203 Ca -0.00 -0.33 -0.07 0.00 0.34 0.00 0.00 59.36 59.30 1avo h GLU 203 Cb 1.05 0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.78 1avo h GLU 203 CO 0.02 1.03 0.09 -0.07 -1.16 0.00 0.00 179.01 178.93 1avo h LEU 204 N 0.17 0.93 -0.37 1.33 3.38 -0.97 -0.65 115.31 119.12 1avo h LEU 204 Ca -0.06 -0.26 -0.05 0.00 0.09 0.00 0.00 57.88 57.59 1avo h LEU 204 Cb 1.54 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 1avo h LEU 204 CO 0.15 0.95 0.02 0.44 0.09 0.00 0.00 178.44 180.09 1avo h ASP 205 N 0.86 0.62 -0.69 -0.43 3.32 -1.49 0.24 116.42 118.85 1avo h ASP 205 Ca 0.18 -0.30 -0.01 0.00 0.02 0.00 0.00 57.03 56.92 1avo h ASP 205 Cb 0.42 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.77 1avo h ASP 205 CO 0.01 0.77 0.38 -0.33 -1.72 0.00 0.00 179.24 178.35 1avo h GLU 206 N 0.46 0.96 -0.43 3.56 5.08 -1.26 0.15 114.58 123.11 1avo h GLU 206 Ca 0.11 -0.11 -0.09 0.00 -1.00 0.00 0.00 59.36 58.26 1avo h GLU 206 Cb 0.44 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1avo h GLU 206 CO 0.02 0.72 -0.10 0.00 -1.00 0.00 0.00 179.01 178.64 1avo h ALA 207 N 1.19 0.59 -0.10 3.43 0.00 -0.88 -0.19 119.26 123.30 1avo h ALA 207 Ca 0.24 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1avo h ALA 207 Cb 0.04 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1avo h ALA 207 CO -0.04 0.46 -0.09 1.49 0.00 0.00 0.00 179.25 181.07 1avo h GLU 208 N 0.64 0.15 -0.27 0.00 4.57 0.05 -0.36 114.58 119.36 1avo h GLU 208 Ca 0.11 -0.03 -0.13 0.00 -1.18 0.00 0.00 59.36 58.13 1avo h GLU 208 Cb 0.63 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.19 1avo h GLU 208 CO 0.04 0.26 -0.35 -0.92 -1.18 0.00 0.00 179.01 176.86 1avo h TYR 209 N 0.15 0.87 0.00 0.92 3.20 -0.32 -1.45 116.97 120.34 1avo h TYR 209 Ca 0.03 -0.28 -0.03 0.00 3.14 0.00 0.00 58.73 61.59 1avo h TYR 209 Cb 0.27 -0.17 -0.00 0.00 1.54 0.00 0.00 36.73 38.36 1avo h TYR 209 CO 0.00 1.04 -0.16 0.00 -1.64 0.00 0.00 178.16 177.41 1avo h ARG 210 N 0.44 0.00 0.04 1.82 3.08 0.40 -2.98 114.38 117.19 1avo h ARG 210 Ca 0.03 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.97 1avo h ARG 210 Cb 0.94 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.00 1avo h ARG 210 CO 0.08 0.16 -0.45 -0.44 -1.07 0.00 0.00 179.97 178.26 1avo h ASP 211 N 0.00 0.33 -0.72 7.04 3.32 -0.79 -2.88 116.42 122.72 1avo h ASP 211 Ca -0.00 -0.85 0.13 0.00 0.02 0.00 0.00 57.03 56.33 1avo h ASP 211 Cb 0.35 -0.10 -0.09 0.00 0.22 0.00 0.00 39.33 39.71 1avo h ASP 211 CO 0.02 1.14 0.28 0.40 -1.72 0.00 0.00 179.24 179.36 1avo h ILE 212 N -0.44 0.68 -0.37 0.35 2.04 -1.13 1.04 117.51 119.68 1avo h ILE 212 Ca -0.07 -0.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.64 1avo h ILE 212 Cb 1.24 0.21 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 1avo h ILE 212 CO 0.09 0.08 0.20 -0.09 0.00 0.00 0.00 178.15 178.43 1avo h ARG 213 N 0.43 0.51 -0.45 2.37 2.43 -1.58 -0.43 114.38 117.67 1avo h ARG 213 Ca 0.39 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 59.44 1avo h ARG 213 Cb 0.57 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.00 1avo h ARG 213 CO -0.39 0.42 0.03 -0.07 -1.51 0.00 0.00 179.97 178.46 1avo h LEU 214 N 0.47 0.68 -0.62 3.80 3.38 -0.89 -0.62 115.31 121.50 1avo h LEU 214 Ca 0.13 -0.14 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 1avo h LEU 214 Cb 0.06 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1avo h LEU 214 CO -0.02 0.72 -0.34 0.24 0.09 0.00 0.00 178.44 179.13 1avo h MET 215 N 0.68 0.71 -0.21 1.13 2.86 0.16 0.13 114.93 120.39 1avo h MET 215 Ca 0.14 -0.34 -0.13 0.00 -2.06 0.00 0.00 59.70 57.31 1avo h MET 215 Cb 0.37 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.01 1avo h MET 215 CO 0.01 0.94 -0.43 0.28 1.06 0.00 0.00 176.91 178.77 1avo h VAL 216 N 0.59 1.31 -0.21 -2.22 2.07 -0.78 -1.24 116.25 115.76 1avo h VAL 216 Ca 0.06 -1.61 -0.07 0.00 0.82 0.00 0.00 66.70 65.90 1avo h VAL 216 Cb 0.87 1.61 -0.00 0.00 -1.52 0.00 0.00 31.29 32.24 1avo h VAL 216 CO 0.08 0.50 -0.13 -0.03 0.02 0.00 0.00 177.57 178.00 1avo h MET 217 N 0.42 0.47 0.00 1.57 -1.53 -0.85 -2.37 114.93 112.63 1avo h MET 217 Ca 0.03 -0.22 0.00 0.00 -3.44 0.00 0.00 59.70 56.07 1avo h MET 217 Cb 0.93 -0.01 0.00 0.00 -0.55 0.00 0.00 31.60 31.97 1avo h MET 217 CO 0.08 0.77 0.00 0.93 0.14 0.00 0.00 176.91 178.83 1avo h GLU 218 N 0.16 0.00 0.14 0.39 5.08 -0.55 -2.67 114.58 117.14 1avo h GLU 218 Ca 0.04 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.18 1avo h GLU 218 Cb 0.65 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.91 1avo h GLU 218 CO 0.04 0.00 -1.07 0.82 -1.00 0.00 0.00 179.01 177.80 1avo h ILE 219 N 0.00 1.34 -0.30 3.13 2.04 -0.94 -2.88 117.51 119.89 1avo h ILE 219 Ca 0.00 -2.51 0.04 0.00 1.00 0.00 0.00 64.86 63.39 1avo h ILE 219 Cb 0.49 3.03 -0.04 0.00 -0.74 0.00 0.00 36.82 39.57 1avo h ILE 219 CO 0.00 0.72 0.08 -0.09 0.00 0.00 0.00 178.15 178.86 1avo h ARG 220 N -0.31 0.19 -0.05 2.37 2.43 -1.37 0.48 114.38 118.13 1avo h ARG 220 Ca -0.20 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 58.97 1avo h ARG 220 Cb 1.73 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 31.23 1avo h ARG 220 CO 0.13 0.13 0.04 -0.91 -1.51 0.00 0.00 179.97 177.86 1avo h ASN 221 N 0.20 0.00 -0.05 -3.80 2.35 -1.58 -1.50 115.58 111.19 1avo h ASN 221 Ca 0.14 0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.65 1avo h ASN 221 Cb 0.13 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.52 1avo h ASN 221 CO -0.16 0.00 -0.88 0.00 -1.65 0.00 0.00 177.43 174.74 1avo h ALA 222 N 1.96 0.18 -0.51 -0.83 0.00 -0.69 -1.34 119.26 118.03 1avo h ALA 222 Ca 0.03 -0.64 -0.01 0.00 0.00 0.00 0.00 54.91 54.28 1avo h ALA 222 Cb 0.11 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1avo h ALA 222 CO -0.00 0.63 0.26 1.88 0.00 0.00 0.00 179.25 182.02 1avo h TYR 223 N 0.37 0.71 0.56 0.00 0.05 -0.68 -1.64 116.97 116.35 1avo h TYR 223 Ca -0.09 -0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.63 1avo h TYR 223 Cb 1.53 -0.22 0.01 0.00 1.01 0.00 0.00 36.73 39.05 1avo h TYR 223 CO 0.10 0.54 -0.27 0.00 -1.05 0.00 0.00 178.16 177.49 1avo h ALA 224 N 1.10 -0.75 -0.42 3.88 0.00 -1.26 -0.10 119.26 121.70 1avo h ALA 224 Ca 0.18 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1avo h ALA 224 Cb 0.08 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1avo h ALA 224 CO -0.03 -0.88 0.28 0.28 0.00 0.00 0.00 179.25 178.91 1avo h VAL 225 N -0.85 1.11 0.07 0.00 2.07 -1.23 -0.81 116.25 116.62 1avo h VAL 225 Ca -0.08 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 1avo h VAL 225 Cb 0.61 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 1avo h VAL 225 CO 0.13 0.11 -0.03 -0.07 0.02 0.00 0.00 177.57 177.72 1avo h LEU 226 N 0.57 -0.08 -0.03 2.57 3.38 -1.10 -1.62 115.31 119.01 1avo h LEU 226 Ca 0.16 -0.47 0.04 0.00 0.09 0.00 0.00 57.88 57.69 1avo h LEU 226 Cb -0.07 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 1avo h LEU 226 CO -0.03 0.46 -0.29 0.22 0.09 0.00 0.00 178.44 178.89 1avo h TYR 227 N -0.65 -0.79 -0.26 1.13 3.20 -0.82 -0.96 116.97 117.82 1avo h TYR 227 Ca -0.01 0.03 0.06 0.00 3.14 0.00 0.00 58.73 61.95 1avo h TYR 227 Cb 0.54 0.35 -0.07 0.00 1.54 0.00 0.00 36.73 39.09 1avo h TYR 227 CO 0.10 -0.38 -0.28 0.22 -1.64 0.00 0.00 178.16 176.19 1avo h ASP 228 N -0.42 -0.89 -0.25 -2.11 3.58 -1.15 0.57 116.42 115.75 1avo h ASP 228 Ca 0.07 0.15 -0.11 0.00 0.42 0.00 0.00 57.03 57.56 1avo h ASP 228 Cb 0.52 0.41 -0.01 0.00 1.72 0.00 0.00 39.33 41.96 1avo h ASP 228 CO -0.27 -0.30 -0.22 -0.29 -2.88 0.00 0.00 179.24 175.27 1avo h ILE 229 N -0.28 1.27 -0.48 2.25 2.10 -1.12 -1.81 117.51 119.44 1avo h ILE 229 Ca 0.14 -1.32 -0.10 0.00 1.08 0.00 0.00 64.86 64.66 1avo h ILE 229 Cb 0.50 1.22 -0.01 0.00 -1.09 0.00 0.00 36.82 37.44 1avo h ILE 229 CO -0.42 0.44 -0.11 0.40 -1.08 0.00 0.00 178.15 177.38 1avo h ILE 230 N 0.63 1.27 0.38 2.19 1.08 -0.77 -3.05 117.51 119.24 1avo h ILE 230 Ca 0.09 -1.24 -0.02 0.00 -0.39 0.00 0.00 64.86 63.30 1avo h ILE 230 Cb 0.71 1.09 0.00 0.00 -3.07 0.00 0.00 36.82 35.55 1avo h ILE 230 CO 0.05 0.43 -0.18 -0.07 -0.69 0.00 0.00 178.15 177.69 1avo h LEU 231 N 0.77 -0.43 -1.17 1.44 -0.00 -0.64 -1.73 115.31 113.54 1avo h LEU 231 Ca 0.12 -0.03 0.15 0.00 -0.00 0.00 0.00 57.88 58.12 1avo h LEU 231 Cb 0.66 0.11 -0.08 0.00 -0.00 0.00 0.00 40.66 41.35 1avo h LEU 231 CO 0.05 -0.24 0.60 0.11 -0.00 0.00 0.00 178.44 178.96 1avo h LYS 232 N -0.58 0.75 -0.40 1.13 1.57 -1.38 -2.72 116.57 114.95 1avo h LYS 232 Ca -0.05 -0.05 -0.17 0.00 -1.87 0.00 0.00 60.65 58.51 1avo h LYS 232 Cb 0.44 -0.17 -0.10 0.00 0.08 0.00 0.00 32.23 32.47 1avo h LYS 232 CO 0.08 0.50 0.01 0.09 -0.57 0.00 0.00 179.45 179.56 1avo n ASN 233 N -4.61 2.96 -0.26 0.86 3.02 -1.15 -4.74 115.26 111.34 1avo n ASN 233 Ca 0.19 -3.57 -0.05 0.00 -0.03 0.00 0.00 54.58 51.12 1avo n ASN 233 Cb 0.47 -0.64 0.06 0.00 -0.61 0.00 0.00 39.78 39.07 1avo n ASN 233 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1avo h PHE 234 N 1.22 0.90 -0.30 3.10 3.57 -0.97 -1.12 116.94 123.34 1avo h PHE 234 Ca 0.21 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.78 1avo h PHE 234 Cb 1.73 -0.31 -0.08 0.00 2.79 0.00 0.00 35.95 40.09 1avo h PHE 234 CO 0.96 0.57 -0.52 1.49 -2.23 0.00 0.00 178.31 178.58 1avo h GLU 235 N 0.97 -0.44 0.00 1.11 4.81 -1.85 0.35 114.58 119.54 1avo h GLU 235 Ca 0.26 0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 59.41 1avo h GLU 235 Cb -0.11 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 1avo h GLU 235 CO -0.06 -0.29 -0.55 0.87 -0.73 0.00 0.00 179.01 178.25 1avo h LYS 236 N -0.45 0.00 -0.47 1.92 1.79 -1.75 0.29 116.57 117.89 1avo h LYS 236 Ca 0.07 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.44 1avo h LYS 236 Cb 0.63 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.26 1avo h LYS 236 CO -0.53 0.55 -0.13 -0.07 -1.08 0.00 0.00 179.45 178.19 1avo h LEU 237 N 0.00 0.93 0.17 2.94 3.38 -0.23 -2.47 115.31 120.03 1avo h LEU 237 Ca -0.01 -0.37 -0.31 0.00 0.09 0.00 0.00 57.88 57.29 1avo h LEU 237 Cb 1.06 -0.25 0.01 0.00 0.09 0.00 0.00 40.66 41.57 1avo h LEU 237 CO 0.07 1.08 -1.46 0.50 0.09 0.00 0.00 178.44 178.72 1avo h LYS 238 N 0.77 0.35 -2.33 1.13 3.64 -0.17 -3.40 116.57 116.55 1avo h LYS 238 Ca 0.12 -0.60 -0.59 0.00 -1.27 0.00 0.00 60.65 58.31 1avo h LYS 238 Cb 0.68 0.22 -0.40 0.00 -0.41 0.00 0.00 32.23 32.33 1avo h LYS 238 CO 0.05 1.26 -0.87 1.63 -2.27 0.00 0.00 179.45 179.25 1avo n LYS 239 N -3.56 1.14 0.27 1.90 5.02 1.00 -4.96 118.16 118.97 1avo n LYS 239 Ca -0.15 -3.74 0.16 0.00 -2.02 0.00 0.00 58.31 52.56 1avo n LYS 239 Cb 1.06 -1.75 0.86 0.00 -0.02 0.00 0.00 35.03 35.18 1avo n LYS 239 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1avo h PRO 240 N 4.74 0.00 0.00 1.97 0.13 -1.63 -2.84 132.00 134.37 1avo h PRO 240 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1avo h PRO 240 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 1avo h PRO 240 CO 0.56 0.00 -0.57 0.54 -0.23 0.00 0.00 178.00 178.30 1avo n ARG 241 N -2.70 2.89 0.00 0.86 1.74 -1.26 -3.62 116.66 114.57 1avo n ARG 241 Ca -0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 1avo n ARG 241 Cb 0.18 -0.78 0.00 0.00 -1.02 0.00 0.00 32.46 30.84 1avo n ARG 241 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52