#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 4.05 -0.26 2.12 1.02 -0.93 -4.83 119.74 120.92 2a6r s LYS 2 Ca 0.00 1.48 -0.07 0.00 0.02 0.00 0.00 55.97 57.40 2a6r s LYS 2 Cb 0.00 -2.42 -0.02 0.00 -0.52 0.00 0.00 37.83 34.88 2a6r s LYS 2 CO 0.00 -0.23 0.06 -1.17 -0.92 0.00 0.00 175.35 173.09 2a6r s LEU 3 N -2.88 3.46 -0.16 3.17 2.96 -1.26 -0.30 118.68 123.66 2a6r s LEU 3 Ca 0.61 -0.33 -0.01 0.00 -0.22 0.00 0.00 54.13 54.17 2a6r s LEU 3 Cb -0.21 -1.89 -0.01 0.00 0.50 0.00 0.00 46.19 44.58 2a6r s LEU 3 CO 0.26 -0.07 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.48 2a6r s ILE 4 N 1.58 3.02 -0.11 6.68 1.01 0.24 -4.98 121.20 128.64 2a6r s ILE 4 Ca 0.06 -0.65 0.00 0.00 0.00 0.00 0.00 60.65 60.06 2a6r s ILE 4 Cb -0.15 -2.30 -0.02 0.00 0.01 0.00 0.00 42.46 40.00 2a6r s ILE 4 CO 0.02 0.50 -0.11 0.26 0.00 0.00 0.00 174.94 175.61 2a6r s TRP 5 N 0.76 2.83 0.65 3.97 0.52 -1.26 -0.17 118.94 126.25 2a6r s TRP 5 Ca -0.05 -0.42 -0.11 0.00 0.02 0.00 0.00 56.10 55.54 2a6r s TRP 5 Cb -0.15 -1.80 -0.02 0.00 -1.15 0.00 0.00 33.47 30.35 2a6r s TRP 5 CO 0.01 -0.04 1.04 -1.54 0.02 0.00 0.00 176.95 176.44 2a6r s SER 6 N -0.00 5.81 0.46 2.95 1.04 -1.18 -4.78 113.70 118.00 2a6r s SER 6 Ca -0.03 1.54 0.17 0.00 0.48 0.00 0.00 55.95 58.12 2a6r s SER 6 Cb -0.14 -2.49 1.14 0.00 0.10 0.00 0.00 66.02 64.64 2a6r s SER 6 CO 0.04 -1.16 1.98 -0.08 0.98 0.00 0.00 173.24 175.00 2a6r h GLU 7 N -0.43 0.27 -0.11 4.02 4.81 -1.97 -0.34 114.58 120.83 2a6r h GLU 7 Ca -0.44 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 58.69 2a6r h GLU 7 Cb 1.20 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.52 2a6r h GLU 7 CO 0.59 0.18 -0.24 0.93 -0.73 0.00 0.00 179.01 179.74 2a6r h GLU 8 N 0.28 0.36 -0.25 1.92 3.07 -1.90 -2.98 114.58 115.07 2a6r h GLU 8 Ca 0.27 -0.24 -0.12 0.00 -0.50 0.00 0.00 59.36 58.78 2a6r h GLU 8 Cb 0.69 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.62 2a6r h GLU 8 CO -0.06 0.84 -0.34 0.66 -1.40 0.00 0.00 179.01 178.71 2a6r h SER 9 N -0.07 0.57 -0.60 1.42 4.64 -1.48 -2.24 113.55 115.79 2a6r h SER 9 Ca 0.00 -0.23 -0.02 0.00 -0.47 0.00 0.00 61.79 61.07 2a6r h SER 9 Cb 0.83 -0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 62.74 2a6r h SER 9 CO 0.05 0.87 0.31 -0.25 -0.87 0.00 0.00 176.83 176.94 2a6r h TRP 10 N 0.47 0.85 -0.80 4.77 -0.00 -1.17 -0.57 115.95 119.50 2a6r h TRP 10 Ca 0.05 -0.03 0.00 0.00 -0.00 0.00 0.00 58.89 58.91 2a6r h TRP 10 Cb 0.81 -0.27 -0.04 0.00 -0.00 0.00 0.00 29.16 29.67 2a6r h TRP 10 CO 0.03 0.64 0.51 -0.44 -0.00 0.00 0.00 178.44 179.18 2a6r h ASP 11 N 0.82 0.93 -0.51 2.65 3.45 -1.34 0.24 116.42 122.66 2a6r h ASP 11 Ca 0.21 -0.03 -0.02 0.00 0.43 0.00 0.00 57.03 57.62 2a6r h ASP 11 Cb 0.09 -0.23 -0.02 0.00 -0.56 0.00 0.00 39.33 38.60 2a6r h ASP 11 CO -0.03 0.69 0.25 0.44 -1.57 0.00 0.00 179.24 179.03 2a6r h ASP 12 N 1.09 0.67 -0.18 6.45 3.32 -0.74 -0.35 116.42 126.67 2a6r h ASP 12 Ca 0.29 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 57.20 2a6r h ASP 12 Cb -0.10 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.28 2a6r h ASP 12 CO -0.06 0.60 0.05 0.22 -1.72 0.00 0.00 179.24 178.33 2a6r h TYR 13 N 0.69 0.31 -0.99 4.55 3.20 -0.06 -1.91 116.97 122.74 2a6r h TYR 13 Ca 0.18 -0.04 0.07 0.00 3.14 0.00 0.00 58.73 62.08 2a6r h TYR 13 Cb 0.10 -0.09 -0.07 0.00 1.54 0.00 0.00 36.73 38.22 2a6r h TYR 13 CO -0.01 0.41 0.64 -0.07 -1.64 0.00 0.00 178.16 177.49 2a6r h LEU 14 N 0.11 1.01 -0.48 2.82 3.38 -0.40 -1.63 115.31 120.11 2a6r h LEU 14 Ca 0.06 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.06 2a6r h LEU 14 Cb 0.26 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 2a6r h LEU 14 CO -0.00 0.63 0.29 0.22 0.09 0.00 0.00 178.44 179.67 2a6r h TYR 15 N 1.14 0.54 -0.24 1.13 3.20 -0.64 -2.34 116.97 119.76 2a6r h TYR 15 Ca 0.43 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 62.25 2a6r h TYR 15 Cb 0.21 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 2a6r h TYR 15 CO -0.00 0.31 -0.17 -1.49 -1.64 0.00 0.00 178.16 175.17 2a6r h TRP 16 N 0.58 0.45 -0.88 -3.82 -0.00 -0.55 -1.28 115.95 110.45 2a6r h TRP 16 Ca 0.19 -0.07 0.01 0.00 -0.00 0.00 0.00 58.89 59.02 2a6r h TRP 16 Cb 0.01 -0.12 -0.04 0.00 -0.00 0.00 0.00 29.16 29.01 2a6r h TRP 16 CO -0.07 0.57 0.57 1.96 -0.00 0.00 0.00 178.44 181.48 2a6r h GLN 17 N 0.38 1.16 -0.02 0.49 4.20 -0.80 0.99 115.11 121.51 2a6r h GLN 17 Ca 0.07 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.70 2a6r h GLN 17 Cb 0.53 -0.26 0.00 0.00 0.30 0.00 0.00 27.48 28.05 2a6r h GLN 17 CO 0.03 0.78 -0.01 -0.85 -0.67 0.00 0.00 178.83 178.11 2a6r n GLU 18 N -4.39 2.00 -0.03 1.46 0.28 -1.05 -4.57 120.64 114.34 2a6r n GLU 18 Ca 0.10 -1.46 -0.06 0.00 -0.16 0.00 0.00 57.16 55.57 2a6r n GLU 18 Cb 0.03 -1.47 -0.02 0.00 1.43 0.00 0.00 31.44 31.41 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 0.78 0.33 -3.33 3.84 -1.04 -0.51 -5.02 114.28 109.32 2a6r n THR 19 Ca 0.16 -0.09 -0.10 0.00 -2.04 0.00 0.00 64.05 61.98 2a6r n THR 19 Cb 0.48 -1.53 -0.07 0.00 -1.82 0.00 0.00 70.33 67.39 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 -5.48 0.54 0.62 8.00 -1.08 0.29 -5.00 116.67 114.56 2a6r s ASP 20 Ca -0.08 -0.26 0.40 0.00 -0.52 0.00 0.00 52.55 52.08 2a6r s ASP 20 Cb 0.03 1.02 2.07 0.00 -1.46 0.00 0.00 42.92 44.58 2a6r s ASP 20 CO 0.11 -0.34 2.25 0.07 0.52 0.00 0.00 175.17 177.78 2a6r h LYS 21 N 8.18 0.00 -0.14 4.34 2.10 -1.81 -1.45 116.57 127.79 2a6r h LYS 21 Ca -0.12 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.39 2a6r h LYS 21 Cb 1.12 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.44 2a6r h LYS 21 CO 0.28 0.01 -0.50 0.00 -2.00 0.00 0.00 179.45 177.23 2a6r h ARG 22 N 0.00 0.39 -0.15 0.07 3.08 -1.95 -2.01 114.38 113.81 2a6r h ARG 22 Ca -0.00 -0.22 -0.20 0.00 0.07 0.00 0.00 59.98 59.63 2a6r h ARG 22 Cb 0.15 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.22 2a6r h ARG 22 CO 0.00 0.80 -0.70 0.82 -1.07 0.00 0.00 179.97 179.83 2a6r h ILE 23 N 0.30 1.31 -0.67 2.04 1.08 -1.61 -2.38 117.51 117.58 2a6r h ILE 23 Ca 0.01 -1.97 -0.01 0.00 -0.39 0.00 0.00 64.86 62.50 2a6r h ILE 23 Cb 1.00 1.94 -0.03 0.00 -3.07 0.00 0.00 36.82 36.66 2a6r h ILE 23 CO 0.09 0.61 0.38 0.58 -0.69 0.00 0.00 178.15 179.12 2a6r h VAL 24 N 0.46 1.21 -0.72 1.67 2.07 -1.35 -0.91 116.25 118.68 2a6r h VAL 24 Ca -0.03 -0.50 -0.04 0.00 0.82 0.00 0.00 66.70 66.95 2a6r h VAL 24 Cb 1.30 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 2a6r h VAL 24 CO 0.14 0.22 0.30 0.50 0.02 0.00 0.00 177.57 178.75 2a6r h LYS 25 N 0.92 1.06 -0.38 1.57 3.64 -1.29 -1.38 116.57 120.72 2a6r h LYS 25 Ca 0.24 -0.19 -0.00 0.00 -1.27 0.00 0.00 60.65 59.43 2a6r h LYS 25 Cb 0.02 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.65 2a6r h LYS 25 CO -0.04 0.87 0.22 -0.22 -2.27 0.00 0.00 179.45 178.01 2a6r h LYS 26 N 1.02 0.52 -0.38 1.90 1.63 -0.91 -0.93 116.57 119.43 2a6r h LYS 26 Ca 0.24 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.99 2a6r h LYS 26 Cb 0.20 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 31.70 2a6r h LYS 26 CO -0.02 0.40 0.24 0.82 -3.45 0.00 0.00 179.45 177.44 2a6r h ILE 27 N 0.49 1.11 -0.51 2.00 2.04 -0.94 -0.60 117.51 121.10 2a6r h ILE 27 Ca 0.13 -0.24 0.03 0.00 1.00 0.00 0.00 64.86 65.78 2a6r h ILE 27 Cb 0.03 0.59 -0.04 0.00 -0.74 0.00 0.00 36.82 36.66 2a6r h ILE 27 CO -0.02 0.11 0.30 0.78 0.00 0.00 0.00 178.15 179.32 2a6r h ASN 28 N 0.51 0.48 -0.91 1.72 2.35 -0.98 -0.25 115.58 118.50 2a6r h ASN 28 Ca 0.14 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.88 2a6r h ASN 28 Cb -0.03 -0.09 -0.04 0.00 0.05 0.00 0.00 38.32 38.21 2a6r h ASN 28 CO -0.03 0.34 0.52 -0.08 -1.65 0.00 0.00 177.43 176.53 2a6r h GLU 29 N 0.60 1.26 -0.47 0.81 4.81 -0.85 -0.52 114.58 120.22 2a6r h GLU 29 Ca 0.21 -0.14 -0.10 0.00 -0.13 0.00 0.00 59.36 59.20 2a6r h GLU 29 Cb 0.04 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.15 2a6r h GLU 29 CO -0.10 0.91 -0.11 -0.07 -0.73 0.00 0.00 179.01 178.90 2a6r h LEU 30 N 1.27 0.91 -0.51 1.64 3.38 -0.53 -1.60 115.31 119.87 2a6r h LEU 30 Ca 0.32 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 2a6r h LEU 30 Cb 0.00 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 2a6r h LEU 30 CO -0.05 1.06 0.24 0.40 0.09 0.00 0.00 178.44 180.17 2a6r h ILE 31 N 0.75 1.20 -0.76 1.22 2.04 -0.68 0.55 117.51 121.82 2a6r h ILE 31 Ca 0.12 -0.56 -0.05 0.00 1.00 0.00 0.00 64.86 65.36 2a6r h ILE 31 Cb 0.66 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 37.34 2a6r h ILE 31 CO 0.05 0.22 0.26 0.50 0.00 0.00 0.00 178.15 179.18 2a6r h LYS 32 N 0.68 1.16 -0.40 2.37 3.64 -0.98 -1.39 116.57 121.65 2a6r h LYS 32 Ca 0.17 -0.24 -0.14 0.00 -1.27 0.00 0.00 60.65 59.18 2a6r h LYS 32 Cb 0.13 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 2a6r h LYS 32 CO -0.02 0.97 -0.30 0.22 -2.27 0.00 0.00 179.45 178.04 2a6r h ASP 33 N 1.11 0.91 0.19 4.20 3.58 -1.03 -2.74 116.42 122.64 2a6r h ASP 33 Ca 0.25 -0.37 -0.04 0.00 0.42 0.00 0.00 57.03 57.29 2a6r h ASP 33 Cb 0.28 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.07 2a6r h ASP 33 CO -0.01 1.14 -0.17 0.74 -2.88 0.00 0.00 179.24 178.05 2a6r h THR 34 N 0.73 1.07 -0.45 2.25 2.02 -0.49 -0.06 112.91 117.98 2a6r h THR 34 Ca 0.08 -0.61 -0.11 0.00 0.77 0.00 0.00 66.41 66.55 2a6r h THR 34 Cb 0.87 1.33 -0.02 0.00 -1.74 0.00 0.00 68.15 68.59 2a6r h THR 34 CO 0.08 0.17 -0.15 0.03 0.37 0.00 0.00 175.52 176.02 2a6r h ARG 35 N 0.00 0.85 0.00 6.66 3.08 -0.96 -1.80 114.38 122.22 2a6r h ARG 35 Ca -0.00 -0.31 -0.00 0.00 0.07 0.00 0.00 59.98 59.74 2a6r h ARG 35 Cb 0.32 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.31 2a6r h ARG 35 CO 0.02 0.94 -0.00 0.00 -1.07 0.00 0.00 179.97 179.86 2a6r h ARG 36 N 0.76 -0.01 -2.94 0.04 3.08 -1.28 -3.42 114.38 110.61 2a6r h ARG 36 Ca 0.12 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.57 2a6r h ARG 36 Cb 0.66 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 30.32 2a6r h ARG 36 CO 0.05 0.81 -0.78 0.95 -1.07 0.00 0.00 179.97 179.94 2a6r s THR 37 N -2.82 0.87 0.32 2.04 -4.23 -0.10 -5.03 115.64 106.70 2a6r s THR 37 Ca -0.18 -2.05 0.11 0.00 -1.18 0.00 0.00 61.69 58.39 2a6r s THR 37 Cb -0.02 -1.63 0.32 0.00 1.34 0.00 0.00 72.50 72.52 2a6r s THR 37 CO 0.67 -0.89 1.67 -0.65 -0.54 0.00 0.00 174.62 174.89 2a6r h PRO 38 N 7.09 0.35 -0.07 3.99 0.11 -1.54 -2.92 132.00 139.01 2a6r h PRO 38 Ca -0.01 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.07 2a6r h PRO 38 Cb 0.96 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.99 2a6r h PRO 38 CO 0.41 0.23 -0.03 1.19 -0.21 0.00 0.00 178.00 179.59 2a6r n PHE 39 N -5.05 0.23 -3.92 0.65 3.01 -1.26 -4.90 117.46 106.22 2a6r n PHE 39 Ca 0.28 -1.02 -0.09 0.00 1.01 0.00 0.00 57.45 57.63 2a6r n PHE 39 Cb 0.87 -0.20 -0.07 0.00 -0.01 0.00 0.00 39.48 40.07 2a6r n PHE 39 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 2a6r s GLU 40 N -2.90 1.06 0.00 -1.08 2.02 -1.10 -4.78 118.70 111.91 2a6r s GLU 40 Ca 0.35 -1.10 0.00 0.00 0.02 0.00 0.00 54.97 54.24 2a6r s GLU 40 Cb 0.30 0.37 0.00 0.00 0.10 0.00 0.00 34.13 34.90 2a6r s GLU 40 CO 0.04 -0.37 0.00 0.41 0.02 0.00 0.00 175.26 175.35 2a6r n GLY 41 N -0.17 -0.02 3.68 -1.39 0.00 -1.26 -4.72 105.19 101.31 2a6r n GLY 41 Ca -0.10 -1.95 -0.43 0.00 0.00 0.00 0.00 46.02 43.54 2a6r n GLY 41 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2a6r n LYS 42 N 0.00 1.97 -0.78 1.61 5.02 -1.26 -2.45 118.16 122.27 2a6r n LYS 42 Ca 0.00 0.69 0.00 0.00 -2.02 0.00 0.00 58.31 56.98 2a6r n LYS 42 Cb 0.00 -2.23 0.00 0.00 -0.02 0.00 0.00 35.03 32.78 2a6r n LYS 42 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2a6r n GLY 43 N 0.86 0.85 3.58 0.72 0.00 -1.26 -4.35 105.19 105.58 2a6r n GLY 43 Ca 0.06 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.89 2a6r n GLY 43 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2a6r n LYS 44 N -2.13 -1.43 -1.70 1.61 5.02 -1.02 -0.90 118.16 117.60 2a6r n LYS 44 Ca 0.00 0.94 -0.41 0.00 -2.02 0.00 0.00 58.31 56.83 2a6r n LYS 44 Cb 0.00 -3.39 0.02 0.00 -0.02 0.00 0.00 35.03 31.64 2a6r n LYS 44 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 2a6r n PRO 45 N -2.51 1.89 -3.76 1.97 -0.04 -1.26 -4.71 135.00 126.59 2a6r n PRO 45 Ca -0.21 0.68 -0.13 0.00 -0.04 0.00 0.00 63.50 63.79 2a6r n PRO 45 Cb 0.63 -2.41 -0.10 0.00 -0.04 0.00 0.00 33.50 31.59 2a6r n PRO 45 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 2a6r s GLU 46 N -2.30 0.53 0.40 0.54 -1.05 -0.99 -4.91 118.70 110.93 2a6r s GLU 46 Ca 0.62 0.11 -0.25 0.00 -0.15 0.00 0.00 54.97 55.29 2a6r s GLU 46 Cb -0.49 0.24 -0.08 0.00 -0.44 0.00 0.00 34.13 33.36 2a6r s GLU 46 CO 0.57 -0.12 1.22 -2.14 0.95 0.00 0.00 175.26 175.74 2a6r s PRO 47 N -0.63 4.00 0.11 -4.83 0.02 -1.26 -1.42 135.00 131.00 2a6r s PRO 47 Ca -0.07 1.97 0.02 0.00 0.02 0.00 0.00 61.00 62.94 2a6r s PRO 47 Cb -0.04 -2.70 -0.04 0.00 0.02 0.00 0.00 34.50 31.74 2a6r s PRO 47 CO 0.02 -0.40 0.21 -0.51 -0.33 0.00 0.00 177.00 176.00 2a6r s LEU 48 N -2.48 4.21 0.00 -5.54 1.43 0.09 -4.88 118.68 111.51 2a6r s LEU 48 Ca 0.57 0.14 0.00 0.00 -1.03 0.00 0.00 54.13 53.81 2a6r s LEU 48 Cb -0.34 -2.81 0.00 0.00 0.03 0.00 0.00 46.19 43.08 2a6r s LEU 48 CO 0.43 0.11 0.00 0.29 0.23 0.00 0.00 176.35 177.41 2a6r n LYS 49 N -0.11 3.08 0.00 1.70 5.02 -1.26 -3.98 118.16 122.61 2a6r n LYS 49 Ca -0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.22 2a6r n LYS 49 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.54 2a6r n LYS 49 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 2a6r n HIS 50 N -0.05 0.00 0.43 2.13 -0.00 -1.26 -1.92 115.22 114.55 2a6r n HIS 50 Ca 0.00 0.00 0.08 0.00 0.46 0.00 0.00 57.72 58.26 2a6r n HIS 50 Cb 0.00 0.04 0.35 0.00 -0.12 0.00 0.00 29.99 30.25 2a6r n HIS 50 CO 0.00 0.00 0.00 -1.71 0.46 0.00 0.00 176.34 175.09 2a6r n ASN 51 N 2.09 0.20 -1.64 0.26 2.85 -1.26 -2.24 115.26 115.52 2a6r n ASN 51 Ca 0.00 0.55 0.08 0.00 -0.11 0.00 0.00 54.58 55.10 2a6r n ASN 51 Cb 0.00 -0.59 0.37 0.00 1.24 0.00 0.00 39.78 40.80 2a6r n ASN 51 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 2a6r n LEU 52 N -1.72 5.20 -4.68 1.20 4.77 -0.81 -4.99 117.00 115.98 2a6r n LEU 52 Ca 0.03 -2.84 -0.45 0.00 -0.03 0.00 0.00 56.01 52.71 2a6r n LEU 52 Cb 0.17 -0.63 -0.04 0.00 -2.33 0.00 0.00 43.42 40.59 2a6r n LEU 52 CO 0.14 0.68 1.22 -1.20 -1.33 0.00 0.00 177.39 176.90 2a6r n SER 53 N 0.52 3.23 0.00 -1.43 7.64 -0.95 -1.23 113.62 121.39 2a6r n SER 53 Ca 0.26 1.08 0.00 0.00 1.01 0.00 0.00 58.87 61.22 2a6r n SER 53 Cb 1.08 -1.45 0.00 0.00 -1.01 0.00 0.00 64.21 62.83 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 3.50 1.48 3.83 0.23 0.00 -1.26 -5.04 105.19 107.94 2a6r n GLY 54 Ca 0.17 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.26 2.96 0.27 1.61 0.40 -0.37 -4.64 117.98 115.95 2a6r s PHE 55 Ca 0.00 -0.23 0.09 0.00 -0.60 0.00 0.00 56.93 56.18 2a6r s PHE 55 Cb 0.00 -1.62 -0.05 0.00 0.51 0.00 0.00 43.02 41.85 2a6r s PHE 55 CO 0.00 0.33 -0.12 -1.58 0.70 0.00 0.00 175.22 174.55 2a6r s TRP 56 N -2.25 2.03 -0.04 0.36 0.52 0.20 -0.73 118.94 119.02 2a6r s TRP 56 Ca 0.37 -0.54 0.00 0.00 0.02 0.00 0.00 56.10 55.95 2a6r s TRP 56 Cb -0.06 -1.03 0.03 0.00 -1.15 0.00 0.00 33.47 31.25 2a6r s TRP 56 CO 0.26 0.46 -0.01 0.45 0.02 0.00 0.00 176.95 178.12 2a6r s SER 57 N -3.45 0.86 0.07 2.95 0.15 -0.51 -1.44 113.70 112.35 2a6r s SER 57 Ca 0.28 -0.07 0.09 0.00 0.70 0.00 0.00 55.95 56.95 2a6r s SER 57 Cb 0.00 -0.34 -0.03 0.00 -1.71 0.00 0.00 66.02 63.94 2a6r s SER 57 CO 0.12 -0.11 -0.24 -0.13 1.20 0.00 0.00 173.24 174.08 2a6r s ARG 58 N 1.22 1.77 -0.15 5.44 0.52 -0.76 -2.34 118.95 124.66 2a6r s ARG 58 Ca -0.07 -1.14 -0.29 0.00 -0.52 0.00 0.00 55.73 53.71 2a6r s ARG 58 Cb -0.13 -2.03 -0.00 0.00 0.52 0.00 0.00 34.95 33.31 2a6r s ARG 58 CO -0.02 0.50 1.01 0.50 0.02 0.00 0.00 175.30 177.31 2a6r s ARG 59 N -1.57 4.36 -0.17 3.54 3.52 -0.08 -0.82 118.95 127.73 2a6r s ARG 59 Ca 0.14 1.36 -0.13 0.00 -0.13 0.00 0.00 55.73 56.96 2a6r s ARG 59 Cb -0.10 -3.58 -0.07 0.00 -1.56 0.00 0.00 34.95 29.64 2a6r s ARG 59 CO 0.05 -0.42 -0.16 -0.89 -0.81 0.00 0.00 175.30 173.06 2a6r n ILE 60 N 4.82 1.46 -4.17 4.11 5.41 -0.16 -4.50 119.36 126.34 2a6r n ILE 60 Ca 0.10 0.12 -0.12 0.00 1.00 0.00 0.00 62.75 63.85 2a6r n ILE 60 Cb 0.48 -2.29 -0.05 0.00 -0.71 0.00 0.00 39.64 37.08 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 -4.53 0.00 -0.30 1.39 -2.24 -0.73 -4.98 114.28 102.90 2a6r n THR 61 Ca -0.16 -1.42 -0.02 0.00 -2.27 0.00 0.00 64.05 60.18 2a6r n THR 61 Cb 0.43 0.70 0.16 0.00 -2.10 0.00 0.00 70.33 69.52 2a6r n THR 61 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2a6r h GLU 62 N 0.00 1.16 -0.44 -0.78 3.07 -2.01 -3.03 114.58 112.55 2a6r h GLU 62 Ca -0.14 -0.10 0.00 0.00 -0.50 0.00 0.00 59.36 58.63 2a6r h GLU 62 Cb 0.70 -0.25 0.00 0.00 -0.84 0.00 0.00 28.75 28.36 2a6r h GLU 62 CO 0.20 0.80 0.00 0.39 -1.40 0.00 0.00 179.01 179.01 2a6r n GLU 63 N -4.37 2.65 -4.38 2.33 4.71 -1.26 -4.95 120.64 115.36 2a6r n GLU 63 Ca 0.10 -2.19 -0.21 0.00 -0.01 0.00 0.00 57.16 54.84 2a6r n GLU 63 Cb 0.05 -1.37 -0.16 0.00 -1.01 0.00 0.00 31.44 28.95 2a6r n GLU 63 CO 0.00 0.00 0.00 -1.01 0.09 0.00 0.00 177.13 176.21 2a6r s HIS 64 N -1.03 1.03 0.09 -0.32 3.76 -1.15 -3.50 115.29 114.17 2a6r s HIS 64 Ca 0.31 -0.31 0.06 0.00 -0.15 0.00 0.00 55.06 54.97 2a6r s HIS 64 Cb 0.17 -0.78 -0.03 0.00 1.11 0.00 0.00 32.58 33.04 2a6r s HIS 64 CO 0.22 -0.18 -0.16 1.03 -0.85 0.00 0.00 174.74 174.81 2a6r s ARG 65 N 0.54 0.92 -0.39 1.40 1.81 0.45 -0.99 118.95 122.69 2a6r s ARG 65 Ca -0.09 -1.05 -0.16 0.00 -1.72 0.00 0.00 55.73 52.71 2a6r s ARG 65 Cb -0.12 -0.97 0.01 0.00 -0.45 0.00 0.00 34.95 33.41 2a6r s ARG 65 CO 0.01 0.21 0.36 -1.17 -0.68 0.00 0.00 175.30 174.03 2a6r s LEU 66 N -1.90 4.80 -0.24 2.53 2.96 -0.00 -3.42 118.68 123.41 2a6r s LEU 66 Ca 0.02 -0.62 -0.10 0.00 -0.22 0.00 0.00 54.13 53.21 2a6r s LEU 66 Cb -0.09 -2.28 -0.05 0.00 0.50 0.00 0.00 46.19 44.27 2a6r s LEU 66 CO 0.03 -0.45 0.15 -0.69 -1.32 0.00 0.00 176.35 174.07 2a6r s VAL 67 N 1.92 5.25 0.19 1.68 1.01 0.51 -1.83 120.40 129.14 2a6r s VAL 67 Ca 0.09 0.14 -0.07 0.00 0.00 0.00 0.00 61.98 62.14 2a6r s VAL 67 Cb -0.18 -3.45 -0.02 0.00 0.00 0.00 0.00 36.38 32.73 2a6r s VAL 67 CO 0.12 0.34 0.27 -0.72 0.00 0.00 0.00 175.10 175.11 2a6r s TYR 68 N 1.15 0.64 0.03 5.22 -0.85 -0.52 0.50 117.35 123.52 2a6r s TYR 68 Ca 0.07 -0.97 0.02 0.00 -0.52 0.00 0.00 57.07 55.68 2a6r s TYR 68 Cb -0.14 -0.17 -0.02 0.00 0.38 0.00 0.00 41.96 42.02 2a6r s TYR 68 CO 0.05 -0.75 -0.08 0.00 -1.52 0.00 0.00 175.55 173.25 2a6r s ALA 69 N -4.04 0.59 -0.15 9.51 0.00 0.31 0.60 121.76 128.57 2a6r s ALA 69 Ca 0.25 -0.60 0.02 0.00 0.00 0.00 0.00 51.96 51.63 2a6r s ALA 69 Cb 0.04 -0.03 0.01 0.00 0.00 0.00 0.00 23.12 23.14 2a6r s ALA 69 CO 0.06 0.04 -0.21 0.08 0.00 0.00 0.00 175.76 175.73 2a6r s VAL 70 N -0.93 2.08 0.13 0.00 1.01 -1.26 -0.47 120.40 120.96 2a6r s VAL 70 Ca -0.05 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 60.98 2a6r s VAL 70 Cb -0.07 -1.84 0.01 0.00 0.00 0.00 0.00 36.38 34.47 2a6r s VAL 70 CO 0.00 0.55 0.04 0.35 0.00 0.00 0.00 175.10 176.04 2a6r n THR 71 N 4.24 0.00 -2.26 3.92 -2.24 0.54 -5.01 114.28 113.48 2a6r n THR 71 Ca -0.20 -0.57 -0.42 0.00 -2.27 0.00 0.00 64.05 60.58 2a6r n THR 71 Cb 0.51 -0.10 -0.03 0.00 -2.10 0.00 0.00 70.33 68.61 2a6r n THR 71 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2a6r s ASP 72 N -1.74 6.90 -1.17 3.42 3.68 -1.26 -3.00 116.67 123.51 2a6r s ASP 72 Ca 0.03 2.13 0.00 0.00 2.13 0.00 0.00 52.55 56.84 2a6r s ASP 72 Cb -0.00 -2.57 0.00 0.00 -1.45 0.00 0.00 42.92 38.90 2a6r s ASP 72 CO 0.02 -0.65 0.00 0.47 0.13 0.00 0.00 175.17 175.14 2a6r n ASP 73 N 4.76 -4.09 -3.66 -0.34 8.00 -1.26 -4.95 116.55 115.01 2a6r n ASP 73 Ca 0.12 0.18 -0.08 0.00 0.71 0.00 0.00 54.79 55.73 2a6r n ASP 73 Cb 0.44 -3.49 -0.08 0.00 -0.02 0.00 0.00 41.12 37.97 2a6r n ASP 73 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2a6r s SER 74 N -2.04 -0.80 -0.31 -2.24 0.15 -1.16 -2.18 113.70 105.11 2a6r s SER 74 Ca 0.00 1.31 -0.05 0.00 0.70 0.00 0.00 55.95 57.91 2a6r s SER 74 Cb 0.00 1.26 0.04 0.00 -1.71 0.00 0.00 66.02 65.61 2a6r s SER 74 CO 0.00 -0.22 0.06 -0.22 1.20 0.00 0.00 173.24 174.05 2a6r s LEU 75 N 1.69 4.01 -0.31 3.45 2.96 0.59 -0.34 118.68 130.74 2a6r s LEU 75 Ca -0.09 -1.07 -0.12 0.00 -0.22 0.00 0.00 54.13 52.63 2a6r s LEU 75 Cb -0.07 -1.81 -0.03 0.00 0.50 0.00 0.00 46.19 44.78 2a6r s LEU 75 CO -0.17 -0.27 0.21 -0.22 -1.32 0.00 0.00 176.35 174.58 2a6r s LEU 76 N 1.37 4.24 -0.27 -0.68 2.96 0.38 -0.59 118.68 126.09 2a6r s LEU 76 Ca -0.02 -0.22 -0.19 0.00 -0.22 0.00 0.00 54.13 53.48 2a6r s LEU 76 Cb -0.19 -2.12 -0.02 0.00 0.50 0.00 0.00 46.19 44.36 2a6r s LEU 76 CO 0.01 -0.14 0.56 -0.63 -1.32 0.00 0.00 176.35 174.83 2a6r s ILE 77 N 1.73 5.03 -0.12 6.68 -1.09 0.77 -0.53 121.20 133.67 2a6r s ILE 77 Ca 0.06 0.92 0.17 0.00 -2.23 0.00 0.00 60.65 59.57 2a6r s ILE 77 Cb -0.17 -3.88 -0.21 0.00 -1.58 0.00 0.00 42.46 36.62 2a6r s ILE 77 CO 0.10 0.03 0.52 0.00 -1.23 0.00 0.00 174.94 174.36 2a6r n ALA 78 N 5.64 1.79 -3.59 9.38 0.00 0.18 -3.07 120.51 130.84 2a6r n ALA 78 Ca -0.03 -0.83 -0.07 0.00 0.00 0.00 0.00 53.44 52.51 2a6r n ALA 78 Cb 0.49 -0.68 -0.04 0.00 0.00 0.00 0.00 19.45 19.22 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 -2.78 -1.98 -0.10 0.00 0.00 -1.11 -4.13 121.76 111.66 2a6r s ALA 79 Ca -0.06 1.59 0.23 0.00 0.00 0.00 0.00 51.96 53.72 2a6r s ALA 79 Cb 0.08 -0.65 0.43 0.00 0.00 0.00 0.00 23.12 22.98 2a6r s ALA 79 CO 0.83 -0.39 1.15 0.00 0.00 0.00 0.00 175.76 177.36 2a6r s ARG 81 N -1.29 0.38 3.27 0.00 3.52 -1.22 -4.75 118.95 118.86 2a6r s ARG 81 Ca 0.29 0.72 0.00 0.00 -0.13 0.00 0.00 55.73 56.61 2a6r s ARG 81 Cb 0.34 -0.00 0.00 0.00 -1.56 0.00 0.00 34.95 33.73 2a6r s ARG 81 CO -0.11 -0.14 0.00 0.66 -0.81 0.00 0.00 175.30 174.89 2a6r n TYR 82 N 4.06 -0.09 -0.03 5.12 0.53 -1.23 -4.19 117.16 121.34 2a6r n TYR 82 Ca -0.22 0.00 0.06 0.00 -1.02 0.00 0.00 57.90 56.72 2a6r n TYR 82 Cb 0.55 0.06 -0.16 0.00 -1.03 0.00 0.00 39.34 38.76 2a6r n TYR 82 CO 0.00 0.00 0.00 0.72 -1.02 0.00 0.00 176.86 176.56 2a6r n HIS 83 N 0.00 0.04 -1.06 -0.72 8.25 -1.26 0.17 115.22 120.64 2a6r n HIS 83 Ca 0.00 0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 2a6r n HIS 83 Cb 0.00 -0.63 0.00 0.00 1.12 0.00 0.00 29.99 30.48 2a6r n HIS 83 CO 0.00 0.00 0.00 2.48 0.64 0.00 0.00 176.34 179.46