#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a6r s LYS 2 N 0.00 4.22 -0.27 2.12 -2.85 -0.91 -4.83 119.74 117.21 2a6r s LYS 2 Ca 0.00 1.22 -0.09 0.00 -1.00 0.00 0.00 55.97 56.10 2a6r s LYS 2 Cb 0.00 -2.29 -0.03 0.00 -2.06 0.00 0.00 37.83 33.45 2a6r s LYS 2 CO 0.00 -0.05 0.12 -1.17 0.10 0.00 0.00 175.35 174.35 2a6r s LEU 3 N -3.01 3.76 -0.20 2.77 2.96 -1.26 -0.92 118.68 122.79 2a6r s LEU 3 Ca 0.61 -0.25 -0.02 0.00 -0.22 0.00 0.00 54.13 54.24 2a6r s LEU 3 Cb -0.13 -1.99 -0.00 0.00 0.50 0.00 0.00 46.19 44.57 2a6r s LEU 3 CO 0.17 -0.08 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.40 2a6r s ILE 4 N 1.65 3.09 -0.16 6.68 1.01 0.37 -4.98 121.20 128.86 2a6r s ILE 4 Ca 0.06 -0.60 -0.05 0.00 0.00 0.00 0.00 60.65 60.06 2a6r s ILE 4 Cb -0.16 -2.38 -0.04 0.00 0.01 0.00 0.00 42.46 39.90 2a6r s ILE 4 CO 0.06 0.46 0.02 0.26 0.00 0.00 0.00 174.94 175.75 2a6r s TRP 5 N 1.24 3.17 0.76 3.97 0.52 -1.26 0.18 118.94 127.52 2a6r s TRP 5 Ca 0.03 -0.02 -0.11 0.00 0.02 0.00 0.00 56.10 56.02 2a6r s TRP 5 Cb -0.14 -2.00 0.05 0.00 -1.15 0.00 0.00 33.47 30.22 2a6r s TRP 5 CO -0.03 0.15 1.08 -1.54 0.02 0.00 0.00 176.95 176.62 2a6r s SER 6 N 0.18 4.72 0.24 2.95 1.04 -0.96 -4.81 113.70 117.05 2a6r s SER 6 Ca 0.02 1.67 -0.06 0.00 0.48 0.00 0.00 55.95 58.06 2a6r s SER 6 Cb -0.13 -2.43 0.30 0.00 0.10 0.00 0.00 66.02 63.86 2a6r s SER 6 CO 0.01 -1.87 1.87 -0.08 0.98 0.00 0.00 173.24 174.15 2a6r h GLU 7 N -1.02 1.03 -0.48 4.02 4.81 -1.94 -1.62 114.58 119.39 2a6r h GLU 7 Ca -0.44 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 58.64 2a6r h GLU 7 Cb 1.23 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 30.36 2a6r h GLU 7 CO 0.54 0.68 -0.03 0.93 -0.73 0.00 0.00 179.01 180.41 2a6r h GLU 8 N 1.06 0.87 -0.19 1.92 5.08 -1.91 -2.55 114.58 118.86 2a6r h GLU 8 Ca 0.36 -0.29 -0.09 0.00 -1.00 0.00 0.00 59.36 58.34 2a6r h GLU 8 Cb 0.07 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2a6r h GLU 8 CO -0.14 0.92 -0.27 0.66 -1.00 0.00 0.00 179.01 179.18 2a6r h SER 9 N 0.72 0.35 -0.49 1.42 4.64 -1.58 -0.83 113.55 117.78 2a6r h SER 9 Ca 0.13 -0.12 -0.12 0.00 -0.47 0.00 0.00 61.79 61.22 2a6r h SER 9 Cb 0.55 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.53 2a6r h SER 9 CO 0.03 0.62 -0.14 -0.25 -0.87 0.00 0.00 176.83 176.22 2a6r h TRP 10 N 0.31 1.11 -0.79 4.77 2.91 -1.22 -0.92 115.95 122.13 2a6r h TRP 10 Ca 0.05 -0.24 -0.03 0.00 1.13 0.00 0.00 58.89 59.79 2a6r h TRP 10 Cb 0.65 -0.27 -0.04 0.00 -0.51 0.00 0.00 29.16 28.99 2a6r h TRP 10 CO 0.02 1.05 0.36 -0.44 -1.03 0.00 0.00 178.44 178.40 2a6r h ASP 11 N 0.87 1.04 -0.08 2.65 3.32 -1.01 -0.27 116.42 122.94 2a6r h ASP 11 Ca 0.13 -0.13 0.01 0.00 0.02 0.00 0.00 57.03 57.06 2a6r h ASP 11 Cb 0.70 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 2a6r h ASP 11 CO 0.05 0.89 -0.01 0.44 -1.72 0.00 0.00 179.24 178.89 2a6r h ASP 12 N 1.13 -0.04 -0.78 6.45 3.32 -0.73 0.14 116.42 125.90 2a6r h ASP 12 Ca 0.27 0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.35 2a6r h ASP 12 Cb 0.14 0.03 -0.04 0.00 0.22 0.00 0.00 39.33 39.68 2a6r h ASP 12 CO -0.03 -0.01 0.51 0.22 -1.72 0.00 0.00 179.24 178.21 2a6r h TYR 13 N 0.02 0.97 -0.66 4.55 3.20 -0.78 -1.47 116.97 122.79 2a6r h TYR 13 Ca 0.04 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.87 2a6r h TYR 13 Cb 0.05 -0.33 -0.03 0.00 1.54 0.00 0.00 36.73 37.96 2a6r h TYR 13 CO -0.12 0.60 0.18 -0.07 -1.64 0.00 0.00 178.16 177.10 2a6r h LEU 14 N 1.04 0.99 -0.40 2.82 3.38 -0.75 -1.46 115.31 120.92 2a6r h LEU 14 Ca 0.29 -0.22 0.06 0.00 0.09 0.00 0.00 57.88 58.10 2a6r h LEU 14 Cb -0.09 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.34 2a6r h LEU 14 CO -0.07 0.95 0.06 0.22 0.09 0.00 0.00 178.44 179.69 2a6r h TYR 15 N 0.97 0.10 -0.63 1.13 3.20 -0.24 -1.58 116.97 119.92 2a6r h TYR 15 Ca 0.21 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 62.06 2a6r h TYR 15 Cb 0.34 0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.60 2a6r h TYR 15 CO 0.03 -0.01 0.23 -1.49 -1.64 0.00 0.00 178.16 175.28 2a6r h TRP 16 N 0.19 0.95 -0.00 -3.82 -0.00 -0.89 -1.07 115.95 111.30 2a6r h TRP 16 Ca 0.19 -0.07 -0.02 0.00 -0.00 0.00 0.00 58.89 59.00 2a6r h TRP 16 Cb 0.24 -0.29 -0.00 0.00 -0.00 0.00 0.00 29.16 29.11 2a6r h TRP 16 CO -0.21 0.74 -0.08 1.96 -0.00 0.00 0.00 178.44 180.85 2a6r h GLN 17 N 0.92 0.00 -0.55 0.49 4.20 -0.35 0.26 115.11 120.09 2a6r h GLN 17 Ca 0.21 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.92 2a6r h GLN 17 Cb 0.21 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.99 2a6r h GLN 17 CO -0.02 0.09 0.00 -0.85 -0.67 0.00 0.00 178.83 177.38 2a6r n GLU 18 N -4.44 3.33 0.00 1.46 0.28 -0.74 -4.66 120.64 115.88 2a6r n GLU 18 Ca -0.03 -2.69 0.00 0.00 -0.16 0.00 0.00 57.16 54.29 2a6r n GLU 18 Cb 0.16 -1.72 0.00 0.00 1.43 0.00 0.00 31.44 31.31 2a6r n GLU 18 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 2a6r n THR 19 N 0.86 0.01 -3.42 3.84 -1.04 -0.48 -5.05 114.28 109.00 2a6r n THR 19 Ca 0.22 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 62.07 2a6r n THR 19 Cb 0.76 -0.87 -0.10 0.00 -1.82 0.00 0.00 70.33 68.30 2a6r n THR 19 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2a6r s ASP 20 N -5.01 1.35 0.46 8.00 -1.08 0.84 -5.02 116.67 116.21 2a6r s ASP 20 Ca 0.00 -0.43 0.16 0.00 -0.52 0.00 0.00 52.55 51.75 2a6r s ASP 20 Cb 0.00 0.57 1.05 0.00 -1.46 0.00 0.00 42.92 43.08 2a6r s ASP 20 CO 0.00 -0.36 2.00 0.11 0.52 0.00 0.00 175.17 177.45 2a6r h LYS 21 N 8.27 0.00 0.00 4.34 1.79 -1.86 -2.44 116.57 126.67 2a6r h LYS 21 Ca -0.15 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.21 2a6r h LYS 21 Cb 1.11 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.75 2a6r h LYS 21 CO 0.31 0.17 -0.53 0.07 -1.08 0.00 0.00 179.45 178.40 2a6r h ARG 22 N 0.00 0.00 -0.22 3.15 0.11 -1.95 -1.48 114.38 113.98 2a6r h ARG 22 Ca -0.00 0.00 -0.17 0.00 0.10 0.00 0.00 59.98 59.91 2a6r h ARG 22 Cb 0.32 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.39 2a6r h ARG 22 CO 0.02 0.53 -0.54 0.82 0.10 0.00 0.00 179.97 180.90 2a6r h ILE 23 N 0.00 1.30 -0.34 0.08 1.08 -1.80 -1.78 117.51 116.05 2a6r h ILE 23 Ca -0.01 -1.77 -0.01 0.00 -0.39 0.00 0.00 64.86 62.69 2a6r h ILE 23 Cb 1.01 1.71 -0.02 0.00 -3.07 0.00 0.00 36.82 36.45 2a6r h ILE 23 CO 0.07 0.56 0.19 0.58 -0.69 0.00 0.00 178.15 178.85 2a6r h VAL 24 N 0.51 1.14 -0.78 1.67 2.07 -1.20 -0.55 116.25 119.11 2a6r h VAL 24 Ca 0.01 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 2a6r h VAL 24 Cb 1.11 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 31.60 2a6r h VAL 24 CO 0.11 0.14 0.44 0.11 0.02 0.00 0.00 177.57 178.39 2a6r h LYS 25 N 0.43 1.07 -0.45 1.57 1.57 -1.12 -0.45 116.57 119.19 2a6r h LYS 25 Ca 0.12 -0.11 -0.10 0.00 -1.87 0.00 0.00 60.65 58.69 2a6r h LYS 25 Cb 0.06 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 2a6r h LYS 25 CO -0.02 0.78 -0.12 -0.22 -0.57 0.00 0.00 179.45 179.30 2a6r h LYS 26 N 1.08 0.88 -0.44 3.15 1.63 -0.99 0.47 116.57 122.34 2a6r h LYS 26 Ca 0.28 -0.34 0.00 0.00 -0.85 0.00 0.00 60.65 59.74 2a6r h LYS 26 Cb 0.01 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 31.57 2a6r h LYS 26 CO -0.05 0.98 0.28 0.82 -3.45 0.00 0.00 179.45 178.03 2a6r h ILE 27 N 0.71 1.13 -0.78 2.00 2.04 -0.62 0.11 117.51 122.10 2a6r h ILE 27 Ca 0.11 -0.26 0.01 0.00 1.00 0.00 0.00 64.86 65.72 2a6r h ILE 27 Cb 0.66 0.51 -0.04 0.00 -0.74 0.00 0.00 36.82 37.22 2a6r h ILE 27 CO 0.05 0.12 0.51 0.78 0.00 0.00 0.00 178.15 179.61 2a6r h ASN 28 N 0.59 0.90 -0.61 1.72 2.35 -0.87 -0.69 115.58 118.97 2a6r h ASN 28 Ca 0.16 -0.03 -0.03 0.00 -0.55 0.00 0.00 56.30 55.85 2a6r h ASN 28 Cb -0.04 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.08 2a6r h ASN 28 CO -0.03 0.66 0.26 -0.08 -1.65 0.00 0.00 177.43 176.59 2a6r h GLU 29 N 1.06 0.89 -0.50 0.81 4.81 -0.26 -1.50 114.58 119.89 2a6r h GLU 29 Ca 0.28 -0.15 -0.05 0.00 -0.13 0.00 0.00 59.36 59.32 2a6r h GLU 29 Cb -0.11 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.10 2a6r h GLU 29 CO -0.06 0.74 0.12 -0.07 -0.73 0.00 0.00 179.01 179.01 2a6r h LEU 30 N 0.84 0.76 -0.56 1.64 3.38 -0.34 -1.46 115.31 119.57 2a6r h LEU 30 Ca 0.20 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 2a6r h LEU 30 Cb 0.17 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 2a6r h LEU 30 CO -0.02 0.80 0.32 0.40 0.09 0.00 0.00 178.44 180.03 2a6r h ILE 31 N 0.68 1.17 -0.76 1.22 2.04 -0.93 0.82 117.51 121.76 2a6r h ILE 31 Ca 0.16 -0.41 -0.05 0.00 1.00 0.00 0.00 64.86 65.55 2a6r h ILE 31 Cb 0.34 0.44 -0.03 0.00 -0.74 0.00 0.00 36.82 36.82 2a6r h ILE 31 CO 0.00 0.18 0.29 0.50 0.00 0.00 0.00 178.15 179.12 2a6r h LYS 32 N 0.75 1.16 -0.49 2.37 3.64 -1.13 -1.60 116.57 121.26 2a6r h LYS 32 Ca 0.20 -0.22 -0.13 0.00 -1.27 0.00 0.00 60.65 59.23 2a6r h LYS 32 Cb 0.01 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.64 2a6r h LYS 32 CO -0.04 0.95 -0.19 0.22 -2.27 0.00 0.00 179.45 178.13 2a6r h ASP 33 N 1.11 1.01 -0.53 4.20 3.58 -0.91 -2.76 116.42 122.13 2a6r h ASP 33 Ca 0.25 -0.37 -0.02 0.00 0.42 0.00 0.00 57.03 57.32 2a6r h ASP 33 Cb 0.24 -0.28 -0.03 0.00 1.72 0.00 0.00 39.33 40.99 2a6r h ASP 33 CO -0.02 1.16 0.27 0.74 -2.88 0.00 0.00 179.24 178.52 2a6r h THR 34 N 0.86 1.18 -0.20 2.25 2.02 -0.50 0.72 112.91 119.23 2a6r h THR 34 Ca 0.12 -0.50 -0.04 0.00 0.77 0.00 0.00 66.41 66.76 2a6r h THR 34 Cb 0.76 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 2a6r h THR 34 CO 0.06 0.21 -0.04 0.03 0.37 0.00 0.00 175.52 176.16 2a6r h ARG 35 N 0.78 0.30 0.13 6.66 3.08 -1.02 -1.88 114.38 122.42 2a6r h ARG 35 Ca 0.20 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.19 2a6r h ARG 35 Cb 0.07 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.07 2a6r h ARG 35 CO -0.03 0.36 -0.06 -0.09 -1.07 0.00 0.00 179.97 179.08 2a6r h ARG 36 N 0.29 -0.16 -3.33 0.04 2.43 -0.87 -3.43 114.38 109.35 2a6r h ARG 36 Ca 0.07 0.01 -0.58 0.00 -0.81 0.00 0.00 59.98 58.66 2a6r h ARG 36 Cb 0.26 0.04 -0.40 0.00 -0.42 0.00 0.00 29.97 29.45 2a6r h ARG 36 CO 0.01 0.12 -0.76 0.95 -1.51 0.00 0.00 179.97 178.78 2a6r s THR 37 N -2.47 0.86 0.29 0.20 -4.23 0.08 -5.04 115.64 105.32 2a6r s THR 37 Ca -0.07 -1.59 0.03 0.00 -1.18 0.00 0.00 61.69 58.88 2a6r s THR 37 Cb -0.00 -1.64 0.30 0.00 1.34 0.00 0.00 72.50 72.49 2a6r s THR 37 CO 0.27 -0.74 1.68 -0.65 -0.54 0.00 0.00 174.62 174.63 2a6r h PRO 38 N 7.79 0.31 -0.12 3.99 0.11 -1.57 -3.10 132.00 139.41 2a6r h PRO 38 Ca -0.10 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.99 2a6r h PRO 38 Cb 0.99 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.04 2a6r h PRO 38 CO 0.46 0.20 -0.00 1.19 -0.21 0.00 0.00 178.00 179.64 2a6r n PHE 39 N -5.12 0.43 -3.97 0.65 3.01 -1.26 -4.90 117.46 106.30 2a6r n PHE 39 Ca 0.22 -0.95 -0.09 0.00 1.01 0.00 0.00 57.45 57.64 2a6r n PHE 39 Cb 0.68 -0.23 -0.05 0.00 -0.01 0.00 0.00 39.48 39.87 2a6r n PHE 39 CO 0.00 0.00 0.00 -1.83 1.01 0.00 0.00 176.76 175.94 2a6r s GLU 40 N -2.86 1.59 0.00 -1.08 -1.05 -1.17 -4.82 118.70 109.31 2a6r s GLU 40 Ca 0.37 -1.20 0.00 0.00 -0.15 0.00 0.00 54.97 53.99 2a6r s GLU 40 Cb 0.31 0.50 0.00 0.00 -0.44 0.00 0.00 34.13 34.50 2a6r s GLU 40 CO 0.06 -0.68 0.00 0.41 0.95 0.00 0.00 175.26 176.00 2a6r n GLY 41 N -0.40 0.53 3.76 -3.83 0.00 -1.26 -4.67 105.19 99.32 2a6r n GLY 41 Ca -0.02 -1.76 -0.40 0.00 0.00 0.00 0.00 46.02 43.84 2a6r n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2a6r s LYS 42 N 0.00 3.58 0.00 1.61 1.02 -1.26 -3.19 119.74 121.50 2a6r s LYS 42 Ca 0.00 2.41 0.00 0.00 0.02 0.00 0.00 55.97 58.40 2a6r s LYS 42 Cb 0.00 -2.59 0.00 0.00 -0.52 0.00 0.00 37.83 34.72 2a6r s LYS 42 CO 0.00 -0.90 0.00 0.41 -0.92 0.00 0.00 175.35 173.94 2a6r n GLY 43 N 0.60 0.62 3.60 -3.33 0.00 -1.26 -4.28 105.19 101.13 2a6r n GLY 43 Ca 0.06 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.84 2a6r n GLY 43 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2a6r n LYS 44 N -2.74 -1.27 -1.64 1.61 3.00 -1.19 -0.31 118.16 115.61 2a6r n LYS 44 Ca 0.00 0.73 -0.50 0.00 -0.00 0.00 0.00 58.31 58.54 2a6r n LYS 44 Cb 0.00 -3.92 -0.05 0.00 0.00 0.00 0.00 35.03 31.06 2a6r n LYS 44 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 2a6r n PRO 45 N -3.33 1.58 -3.98 1.64 -0.02 -1.26 -4.67 135.00 124.95 2a6r n PRO 45 Ca -0.13 0.57 -0.13 0.00 -2.02 0.00 0.00 63.50 61.78 2a6r n PRO 45 Cb 0.60 -2.28 -0.14 0.00 -0.02 0.00 0.00 33.50 31.66 2a6r n PRO 45 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 2a6r s GLU 46 N 1.30 0.17 0.19 -0.52 -1.05 -0.49 -4.90 118.70 113.39 2a6r s GLU 46 Ca 0.85 -0.09 -0.30 0.00 -0.15 0.00 0.00 54.97 55.28 2a6r s GLU 46 Cb -0.85 -0.16 -0.08 0.00 -0.44 0.00 0.00 34.13 32.60 2a6r s GLU 46 CO 0.46 0.04 1.09 -1.25 0.95 0.00 0.00 175.26 176.56 2a6r s PRO 47 N -0.08 4.61 0.43 -4.83 0.04 -1.26 -0.93 135.00 132.98 2a6r s PRO 47 Ca 0.00 1.72 -0.04 0.00 0.04 0.00 0.00 61.00 62.72 2a6r s PRO 47 Cb -0.01 -3.27 -0.04 0.00 0.04 0.00 0.00 34.50 31.22 2a6r s PRO 47 CO -0.00 0.11 0.71 -0.51 0.04 0.00 0.00 177.00 177.35 2a6r s LEU 48 N -0.53 3.77 0.00 -3.56 1.43 0.08 -4.93 118.68 114.94 2a6r s LEU 48 Ca 0.48 0.81 0.01 0.00 -1.03 0.00 0.00 54.13 54.40 2a6r s LEU 48 Cb -0.29 -3.72 -0.00 0.00 0.03 0.00 0.00 46.19 42.20 2a6r s LEU 48 CO 0.35 -0.47 0.05 0.29 0.23 0.00 0.00 176.35 176.80 2a6r n LYS 49 N -1.99 0.74 0.00 1.70 5.02 -1.26 -3.96 118.16 118.40 2a6r n LYS 49 Ca -0.01 -3.54 0.00 0.00 -2.02 0.00 0.00 58.31 52.74 2a6r n LYS 49 Cb 0.55 1.24 0.00 0.00 -0.02 0.00 0.00 35.03 36.80 2a6r n LYS 49 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2a6r n HIS 50 N -1.13 0.00 0.33 2.13 8.25 -1.26 -1.32 115.22 122.22 2a6r n HIS 50 Ca -0.16 0.00 0.22 0.00 -0.26 0.00 0.00 57.72 57.52 2a6r n HIS 50 Cb 0.62 0.00 1.18 0.00 1.12 0.00 0.00 29.99 32.91 2a6r n HIS 50 CO 0.00 0.00 0.00 -2.95 0.64 0.00 0.00 176.34 174.03 2a6r h ASN 51 N 0.00 0.00 -0.49 0.41 7.08 -2.06 -1.23 115.58 119.29 2a6r h ASN 51 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 2a6r h ASN 51 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.24 2a6r h ASN 51 CO 0.00 0.00 0.00 0.18 -2.08 0.00 0.00 177.43 175.53 2a6r n LEU 52 N -3.14 4.08 -4.67 6.14 4.77 -0.44 -5.00 117.00 118.74 2a6r n LEU 52 Ca -0.03 -2.45 -0.45 0.00 -0.03 0.00 0.00 56.01 53.06 2a6r n LEU 52 Cb 0.08 -0.48 -0.02 0.00 -2.33 0.00 0.00 43.42 40.67 2a6r n LEU 52 CO 0.21 0.77 1.00 -1.20 -1.33 0.00 0.00 177.39 176.83 2a6r n SER 53 N 0.62 2.73 0.00 -1.43 7.64 -0.47 -1.45 113.62 121.26 2a6r n SER 53 Ca 0.21 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.24 2a6r n SER 53 Cb 0.76 -1.43 0.00 0.00 -1.01 0.00 0.00 64.21 62.53 2a6r n SER 53 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2a6r n GLY 54 N 2.03 2.43 3.87 0.23 0.00 -1.26 -4.99 105.19 107.50 2a6r n GLY 54 Ca 0.11 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.92 2a6r n GLY 54 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2a6r s PHE 55 N -2.56 2.97 0.24 1.61 0.40 -0.53 -4.73 117.98 115.37 2a6r s PHE 55 Ca 0.00 -0.26 0.08 0.00 -0.60 0.00 0.00 56.93 56.14 2a6r s PHE 55 Cb 0.00 -1.78 -0.05 0.00 0.51 0.00 0.00 43.02 41.70 2a6r s PHE 55 CO 0.00 0.20 -0.11 -1.58 0.70 0.00 0.00 175.22 174.42 2a6r s TRP 56 N -2.26 1.84 -0.02 0.36 0.52 0.19 -0.74 118.94 118.83 2a6r s TRP 56 Ca 0.40 -0.61 0.00 0.00 0.02 0.00 0.00 56.10 55.92 2a6r s TRP 56 Cb -0.07 -0.93 0.03 0.00 -1.15 0.00 0.00 33.47 31.35 2a6r s TRP 56 CO 0.27 0.35 0.02 0.45 0.02 0.00 0.00 176.95 178.06 2a6r s SER 57 N -3.38 0.08 0.08 2.95 0.15 -0.10 -0.66 113.70 112.82 2a6r s SER 57 Ca 0.26 0.03 0.10 0.00 0.70 0.00 0.00 55.95 57.03 2a6r s SER 57 Cb 0.01 -0.07 -0.03 0.00 -1.71 0.00 0.00 66.02 64.21 2a6r s SER 57 CO 0.09 -0.11 -0.25 -0.13 1.20 0.00 0.00 173.24 174.03 2a6r s ARG 58 N 0.96 1.55 -0.08 5.44 0.52 -0.51 -1.40 118.95 125.43 2a6r s ARG 58 Ca -0.08 -1.18 -0.30 0.00 -0.52 0.00 0.00 55.73 53.65 2a6r s ARG 58 Cb -0.12 -1.84 -0.02 0.00 0.52 0.00 0.00 34.95 33.49 2a6r s ARG 58 CO -0.03 0.46 1.09 1.03 0.02 0.00 0.00 175.30 177.87 2a6r s ARG 59 N -1.58 4.39 -0.23 3.54 0.52 0.58 -0.32 118.95 125.85 2a6r s ARG 59 Ca 0.12 1.52 -0.16 0.00 -0.52 0.00 0.00 55.73 56.68 2a6r s ARG 59 Cb -0.10 -3.55 -0.12 0.00 0.52 0.00 0.00 34.95 31.70 2a6r s ARG 59 CO 0.04 -0.37 -0.20 -0.89 0.02 0.00 0.00 175.30 173.90 2a6r n ILE 60 N 4.58 1.52 -4.03 1.52 5.41 -0.31 -4.53 119.36 123.51 2a6r n ILE 60 Ca 0.10 -0.16 -0.12 0.00 1.00 0.00 0.00 62.75 63.57 2a6r n ILE 60 Cb 0.48 -2.04 -0.04 0.00 -0.71 0.00 0.00 39.64 37.33 2a6r n ILE 60 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 2a6r n THR 61 N -4.36 0.00 -0.21 1.39 -2.24 -0.13 -4.98 114.28 103.75 2a6r n THR 61 Ca -0.38 -1.50 -0.08 0.00 -2.27 0.00 0.00 64.05 59.82 2a6r n THR 61 Cb 0.72 0.85 0.02 0.00 -2.10 0.00 0.00 70.33 69.82 2a6r n THR 61 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2a6r h GLU 62 N 0.00 0.90 0.00 -0.78 4.57 -2.01 -3.18 114.58 114.09 2a6r h GLU 62 Ca -0.19 -0.20 -0.20 0.00 -1.18 0.00 0.00 59.36 57.60 2a6r h GLU 62 Cb 0.88 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 29.32 2a6r h GLU 62 CO 0.27 0.81 -0.96 1.49 -1.18 0.00 0.00 179.01 179.44 2a6r h GLU 63 N 0.82 0.00 -5.34 1.92 4.81 -1.96 -3.46 114.58 111.37 2a6r h GLU 63 Ca 0.19 0.00 -0.66 0.00 -0.13 0.00 0.00 59.36 58.76 2a6r h GLU 63 Cb 0.29 0.00 -0.27 0.00 0.63 0.00 0.00 28.75 29.39 2a6r h GLU 63 CO -0.01 0.90 -0.78 -1.01 -0.73 0.00 0.00 179.01 177.38 2a6r s HIS 64 N -2.75 2.78 0.10 0.92 3.76 -1.20 -3.55 115.29 115.35 2a6r s HIS 64 Ca 0.01 -0.68 0.07 0.00 -0.15 0.00 0.00 55.06 54.31 2a6r s HIS 64 Cb 0.10 -1.82 -0.03 0.00 1.11 0.00 0.00 32.58 31.93 2a6r s HIS 64 CO 0.81 -0.23 -0.18 1.03 -0.85 0.00 0.00 174.74 175.32 2a6r s ARG 65 N 0.33 1.04 -0.42 1.40 1.81 -0.26 -0.96 118.95 121.90 2a6r s ARG 65 Ca -0.12 -1.13 -0.20 0.00 -1.72 0.00 0.00 55.73 52.57 2a6r s ARG 65 Cb -0.16 -1.19 0.02 0.00 -0.45 0.00 0.00 34.95 33.17 2a6r s ARG 65 CO 0.06 0.27 0.58 -1.17 -0.68 0.00 0.00 175.30 174.36 2a6r s LEU 66 N -1.97 4.55 -0.24 2.53 2.96 0.56 -3.82 118.68 123.25 2a6r s LEU 66 Ca 0.05 -0.34 -0.12 0.00 -0.22 0.00 0.00 54.13 53.49 2a6r s LEU 66 Cb -0.09 -2.64 -0.05 0.00 0.50 0.00 0.00 46.19 43.91 2a6r s LEU 66 CO 0.04 -0.69 0.24 -0.69 -1.32 0.00 0.00 176.35 173.93 2a6r s VAL 67 N 2.61 5.29 0.31 1.68 1.01 0.06 -1.42 120.40 129.94 2a6r s VAL 67 Ca 0.20 0.34 -0.03 0.00 0.00 0.00 0.00 61.98 62.49 2a6r s VAL 67 Cb -0.15 -3.58 -0.01 0.00 0.00 0.00 0.00 36.38 32.64 2a6r s VAL 67 CO 0.17 0.28 0.41 -0.72 0.00 0.00 0.00 175.10 175.25 2a6r s TYR 68 N 1.38 1.04 -0.05 5.22 -0.85 0.17 -0.33 117.35 123.93 2a6r s TYR 68 Ca 0.11 -1.26 -0.07 0.00 -0.52 0.00 0.00 57.07 55.33 2a6r s TYR 68 Cb -0.15 -0.16 0.01 0.00 0.38 0.00 0.00 41.96 42.04 2a6r s TYR 68 CO 0.07 -1.03 0.18 0.00 -1.52 0.00 0.00 175.55 173.25 2a6r s ALA 69 N -3.37 -0.45 -0.12 9.51 0.00 -0.31 0.56 121.76 127.59 2a6r s ALA 69 Ca 0.31 0.36 0.03 0.00 0.00 0.00 0.00 51.96 52.66 2a6r s ALA 69 Cb 0.01 -0.19 0.01 0.00 0.00 0.00 0.00 23.12 22.94 2a6r s ALA 69 CO 0.18 -0.13 -0.20 0.08 0.00 0.00 0.00 175.76 175.70 2a6r s VAL 70 N -0.32 1.87 0.41 0.00 1.01 -1.26 -0.77 120.40 121.34 2a6r s VAL 70 Ca -0.04 -0.88 0.03 0.00 0.00 0.00 0.00 61.98 61.10 2a6r s VAL 70 Cb -0.03 -1.66 0.03 0.00 0.00 0.00 0.00 36.38 34.73 2a6r s VAL 70 CO 0.01 0.51 0.28 0.35 0.00 0.00 0.00 175.10 176.25 2a6r n THR 71 N 3.98 0.00 0.30 3.92 -2.24 -0.27 -5.00 114.28 114.97 2a6r n THR 71 Ca -0.20 -1.63 0.18 0.00 -2.27 0.00 0.00 64.05 60.13 2a6r n THR 71 Cb 0.52 -0.11 0.92 0.00 -2.10 0.00 0.00 70.33 69.56 2a6r n THR 71 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 2a6r h ASP 72 N 0.52 0.00 0.00 3.42 2.03 -2.04 -3.22 116.42 117.13 2a6r h ASP 72 Ca -0.26 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.04 2a6r h ASP 72 Cb 0.95 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.45 2a6r h ASP 72 CO 0.41 0.00 -0.01 -0.90 -1.03 0.00 0.00 179.24 177.72 2a6r n ASP 73 N -2.84 0.11 -3.54 4.15 5.75 -1.26 -5.03 116.55 113.89 2a6r n ASP 73 Ca -0.02 -1.08 -0.15 0.00 -0.01 0.00 0.00 54.79 53.54 2a6r n ASP 73 Cb 0.12 -0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.16 2a6r n ASP 73 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 2a6r s SER 74 N -0.08 -0.54 -0.29 -1.12 1.04 -1.22 -2.14 113.70 109.35 2a6r s SER 74 Ca 0.00 0.38 -0.04 0.00 0.48 0.00 0.00 55.95 56.77 2a6r s SER 74 Cb 0.00 0.52 0.02 0.00 0.10 0.00 0.00 66.02 66.66 2a6r s SER 74 CO 0.00 -0.69 0.03 -0.22 0.98 0.00 0.00 173.24 173.34 2a6r s LEU 75 N -1.71 3.72 -0.23 2.42 2.96 -0.09 -1.12 118.68 124.63 2a6r s LEU 75 Ca -0.07 -0.90 -0.10 0.00 -0.22 0.00 0.00 54.13 52.84 2a6r s LEU 75 Cb -0.01 -1.79 -0.05 0.00 0.50 0.00 0.00 46.19 44.85 2a6r s LEU 75 CO 0.02 -0.20 0.14 -0.22 -1.32 0.00 0.00 176.35 174.77 2a6r s LEU 76 N 1.40 4.01 -0.29 -0.68 2.96 0.05 -0.48 118.68 125.66 2a6r s LEU 76 Ca 0.00 0.08 -0.12 0.00 -0.22 0.00 0.00 54.13 53.87 2a6r s LEU 76 Cb -0.18 -2.07 -0.04 0.00 0.50 0.00 0.00 46.19 44.40 2a6r s LEU 76 CO -0.00 0.07 0.24 -0.63 -1.32 0.00 0.00 176.35 174.71 2a6r s ILE 77 N 0.99 5.27 -0.07 6.68 -1.09 0.13 -1.16 121.20 131.96 2a6r s ILE 77 Ca 0.07 0.18 0.06 0.00 -2.23 0.00 0.00 60.65 58.73 2a6r s ILE 77 Cb -0.13 -3.60 -0.24 0.00 -1.58 0.00 0.00 42.46 36.90 2a6r s ILE 77 CO 0.04 0.18 0.57 0.00 -1.23 0.00 0.00 174.94 174.50 2a6r n ALA 78 N 5.13 1.27 -3.54 9.38 0.00 0.55 -2.28 120.51 131.03 2a6r n ALA 78 Ca -0.13 -0.69 -0.10 0.00 0.00 0.00 0.00 53.44 52.53 2a6r n ALA 78 Cb 0.51 -0.81 -0.04 0.00 0.00 0.00 0.00 19.45 19.12 2a6r n ALA 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2a6r s ALA 79 N -2.59 -1.88 -0.29 0.00 0.00 -1.11 -3.98 121.76 111.91 2a6r s ALA 79 Ca -0.11 1.32 0.20 0.00 0.00 0.00 0.00 51.96 53.37 2a6r s ALA 79 Cb 0.07 -0.14 0.48 0.00 0.00 0.00 0.00 23.12 23.53 2a6r s ALA 79 CO 0.81 -0.50 1.25 0.00 0.00 0.00 0.00 175.76 177.32 2a6r s ARG 81 N -2.53 0.40 2.11 0.00 3.52 -1.25 -4.78 118.95 116.42 2a6r s ARG 81 Ca 0.21 0.76 0.00 0.00 -0.13 0.00 0.00 55.73 56.58 2a6r s ARG 81 Cb 0.36 0.00 0.00 0.00 -1.56 0.00 0.00 34.95 33.75 2a6r s ARG 81 CO -0.07 -0.15 0.00 0.66 -0.81 0.00 0.00 175.30 174.93 2a6r n TYR 82 N 4.12 -1.31 0.20 5.12 0.53 -1.24 -3.96 117.16 120.61 2a6r n TYR 82 Ca -0.22 0.00 0.10 0.00 -1.02 0.00 0.00 57.90 56.76 2a6r n TYR 82 Cb 0.55 0.19 0.14 0.00 -1.03 0.00 0.00 39.34 39.19 2a6r n TYR 82 CO 0.00 0.00 0.00 0.45 -1.02 0.00 0.00 176.86 176.29 2a6r h HIS 83 N 0.00 0.00 0.00 -0.72 3.86 -1.88 -0.68 115.15 115.73 2a6r h HIS 83 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2a6r h HIS 83 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 2a6r h HIS 83 CO 0.00 0.09 0.00 2.48 0.86 0.00 0.00 177.93 181.36