#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 4.62 -0.36 3.17 1.02 0.18 -4.89 119.74 123.48 2a6r s LYS 2 Ca 0.00 1.72 -0.09 0.00 0.02 0.00 0.00 55.97 57.62 2a6r s LYS 2 Cb 0.00 -3.12 0.03 0.00 -0.52 0.00 0.00 37.83 34.22 2a6r s LYS 2 CO 0.00 0.22 0.16 -1.17 -0.92 0.00 0.00 175.35 173.63 2a6r s LEU 3 N -1.56 4.51 -0.20 3.17 2.96 -1.26 -0.45 118.68 125.85 2a6r s LEU 3 Ca 0.46 -1.05 -0.07 0.00 -0.22 0.00 0.00 54.13 53.25 2a6r s LEU 3 Cb -0.30 -1.95 -0.03 0.00 0.50 0.00 0.00 46.19 44.41 2a6r s LEU 3 CO 0.38 -0.35 0.05 -0.63 -1.32 0.00 0.00 176.35 174.47 2a6r s ILE 4 N 1.49 4.43 -0.05 6.68 1.01 -0.59 -4.98 121.20 129.18 2a6r s ILE 4 Ca 0.00 -0.15 0.01 0.00 0.00 0.00 0.00 60.65 60.52 2a6r s ILE 4 Cb -0.19 -3.02 -0.03 0.00 0.01 0.00 0.00 42.46 39.23 2a6r s ILE 4 CO 0.05 0.42 -0.06 0.26 0.00 0.00 0.00 174.94 175.60 2a6r s TRP 5 N 0.88 2.94 0.54 3.97 0.52 -1.26 0.45 118.94 126.98 2a6r s TRP 5 Ca 0.03 0.02 -0.07 0.00 0.02 0.00 0.00 56.10 56.10 2a6r s TRP 5 Cb -0.14 -1.69 -0.03 0.00 -1.15 0.00 0.00 33.47 30.46 2a6r s TRP 5 CO 0.02 0.35 0.87 -1.54 0.02 0.00 0.00 176.95 176.68 2a6r s SER 6 N -0.97 6.09 0.24 2.95 1.04 -1.15 -4.85 113.70 117.06 2a6r s SER 6 Ca 0.14 0.99 -0.05 0.00 0.48 0.00 0.00 55.95 57.51 2a6r s SER 6 Cb -0.11 -2.17 0.36 0.00 0.10 0.00 0.00 66.02 64.20 2a6r s SER 6 CO 0.03 -0.76 1.83 -0.33 0.98 0.00 0.00 173.24 174.99 2a6r h GLU 7 N -0.00 0.85 -0.19 4.02 5.08 -1.95 0.47 114.58 122.85 2a6r h GLU 7 Ca -0.46 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 57.83 2a6r h GLU 7 Cb 1.21 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 2a6r h GLU 7 CO 0.62 0.56 0.04 0.93 -1.00 0.00 0.00 179.01 180.15 2a6r h GLU 8 N 0.87 0.31 -0.21 2.33 3.07 -1.92 -1.24 114.58 117.79 2a6r h GLU 8 Ca 0.38 -0.08 -0.08 0.00 -0.50 0.00 0.00 59.36 59.08 2a6r h GLU 8 Cb 0.27 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.13 2a6r h GLU 8 CO -0.21 0.46 -0.22 0.66 -1.40 0.00 0.00 179.01 178.30 2a6r h SER 9 N 0.11 0.38 -0.29 1.42 4.64 -1.62 -0.60 113.55 117.59 2a6r h SER 9 Ca 0.06 -0.12 -0.17 0.00 -0.47 0.00 0.00 61.79 61.10 2a6r h SER 9 Cb 0.30 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 62.28 2a6r h SER 9 CO 0.00 0.61 -0.45 -0.25 -0.87 0.00 0.00 176.83 175.88 2a6r h TRP 10 N 0.35 1.04 -0.03 4.77 2.91 -0.79 -0.48 115.95 123.72 2a6r h TRP 10 Ca 0.06 -0.33 -0.07 0.00 1.13 0.00 0.00 58.89 59.67 2a6r h TRP 10 Cb 0.59 -0.21 -0.01 0.00 -0.51 0.00 0.00 29.16 29.02 2a6r h TRP 10 CO 0.02 1.14 -0.33 0.22 -1.03 0.00 0.00 178.44 178.45 2a6r h ASP 11 N 0.68 0.05 -0.12 2.65 3.58 -0.87 -0.12 116.42 122.27 2a6r h ASP 11 Ca 0.04 -0.02 -0.20 0.00 0.42 0.00 0.00 57.03 57.28 2a6r h ASP 11 Cb 1.03 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 42.07 2a6r h ASP 11 CO 0.10 0.39 -0.67 0.44 -2.88 0.00 0.00 179.24 176.62 2a6r h ASP 12 N 0.05 0.86 -0.25 2.28 3.32 -0.81 -1.37 116.42 120.50 2a6r h ASP 12 Ca 0.00 -0.52 -0.07 0.00 0.02 0.00 0.00 57.03 56.46 2a6r h ASP 12 Cb 0.62 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 2a6r h ASP 12 CO 0.05 1.30 -0.07 0.22 -1.72 0.00 0.00 179.24 179.01 2a6r h TYR 13 N 0.54 0.67 -0.42 4.55 3.20 -0.56 -1.88 116.97 123.07 2a6r h TYR 13 Ca -0.02 -0.10 -0.14 0.00 3.14 0.00 0.00 58.73 61.62 2a6r h TYR 13 Cb 1.28 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 39.35 2a6r h TYR 13 CO 0.07 0.68 -0.27 -0.07 -1.64 0.00 0.00 178.16 176.93 2a6r h LEU 14 N 0.58 0.94 -0.12 2.82 3.38 -0.88 -2.02 115.31 120.01 2a6r h LEU 14 Ca 0.11 -0.37 0.03 0.00 0.09 0.00 0.00 57.88 57.73 2a6r h LEU 14 Cb 0.48 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 2a6r h LEU 14 CO 0.03 1.14 -0.04 0.22 0.09 0.00 0.00 178.44 179.88 2a6r h TYR 15 N 0.77 -0.09 -0.78 1.13 3.20 -0.75 -1.38 116.97 119.06 2a6r h TYR 15 Ca 0.09 0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.05 2a6r h TYR 15 Cb 0.83 0.06 -0.05 0.00 1.54 0.00 0.00 36.73 39.11 2a6r h TYR 15 CO 0.05 -0.07 0.51 -1.49 -1.64 0.00 0.00 178.16 175.52 2a6r h TRP 16 N -0.02 0.82 0.00 -3.82 -0.00 -1.20 0.62 115.95 112.35 2a6r h TRP 16 Ca 0.06 0.02 -0.02 0.00 -0.00 0.00 0.00 58.89 58.95 2a6r h TRP 16 Cb 0.11 -0.27 -0.00 0.00 -0.00 0.00 0.00 29.16 29.00 2a6r h TRP 16 CO -0.17 0.41 -0.11 1.96 -0.00 0.00 0.00 178.44 180.53 2a6r h GLN 17 N 0.79 0.00 0.00 0.49 4.20 -0.52 0.10 115.11 120.17 2a6r h GLN 17 Ca 0.35 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.06 2a6r h GLN 17 Cb 0.32 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.10 2a6r h GLN 17 CO -0.13 0.11 -1.26 0.39 -0.67 0.00 0.00 178.83 177.28 2a6r n GLU 18 N -3.63 0.17 -0.03 1.46 1.02 0.57 -4.72 120.64 115.49 2a6r n GLU 18 Ca -0.02 -0.05 -0.03 0.00 -0.02 0.00 0.00 57.16 57.04 2a6r n GLU 18 Cb 0.24 -1.51 -0.01 0.00 -0.02 0.00 0.00 31.44 30.14 2a6r n GLU 18 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 2a6r n THR 19 N -1.70 0.57 -3.51 2.62 -1.04 0.19 -5.02 114.28 106.38 2a6r n THR 19 Ca 0.02 0.35 -0.22 0.00 -2.04 0.00 0.00 64.05 62.16 2a6r n THR 19 Cb 0.39 -1.78 -0.14 0.00 -1.82 0.00 0.00 70.33 66.98 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 -4.78 2.11 0.59 8.00 2.15 0.26 -5.00 116.67 120.00 2a6r s ASP 20 Ca -0.10 -0.63 0.29 0.00 0.43 0.00 0.00 52.55 52.54 2a6r s ASP 20 Cb 0.01 0.10 1.49 0.00 -0.30 0.00 0.00 42.92 44.22 2a6r s ASP 20 CO 0.15 -0.37 1.91 0.11 -0.17 0.00 0.00 175.17 176.80 2a6r h LYS 21 N 8.35 0.00 -0.63 4.34 1.79 -1.86 0.40 116.57 128.95 2a6r h LYS 21 Ca -0.17 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.22 2a6r h LYS 21 Cb 1.11 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.73 2a6r h LYS 21 CO 0.33 0.00 0.06 0.00 -1.08 0.00 0.00 179.45 178.76 2a6r h ARG 22 N 0.00 1.07 -0.20 3.15 3.08 -1.94 -2.43 114.38 117.11 2a6r h ARG 22 Ca 0.21 -0.30 -0.14 0.00 0.07 0.00 0.00 59.98 59.81 2a6r h ARG 22 Cb 1.14 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 31.06 2a6r h ARG 22 CO -0.00 1.00 -0.48 0.82 -1.07 0.00 0.00 179.97 180.24 2a6r h ILE 23 N 0.99 1.32 -0.35 2.04 1.08 -1.26 -2.45 117.51 118.87 2a6r h ILE 23 Ca 0.19 -1.69 0.01 0.00 -0.39 0.00 0.00 64.86 62.98 2a6r h ILE 23 Cb 0.48 1.69 -0.02 0.00 -3.07 0.00 0.00 36.82 35.90 2a6r h ILE 23 CO 0.02 0.53 0.21 0.58 -0.69 0.00 0.00 178.15 178.80 2a6r h VAL 24 N 0.41 1.05 -0.71 1.67 2.07 -1.36 -1.21 116.25 118.18 2a6r h VAL 24 Ca 0.02 -0.15 0.03 0.00 0.82 0.00 0.00 66.70 67.42 2a6r h VAL 24 Cb 0.99 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 31.30 2a6r h VAL 24 CO 0.09 0.08 0.45 0.11 0.02 0.00 0.00 177.57 178.32 2a6r h LYS 25 N 0.43 0.86 -0.70 1.57 1.79 -1.28 -1.18 116.57 118.06 2a6r h LYS 25 Ca 0.14 -0.05 -0.03 0.00 -2.18 0.00 0.00 60.65 58.52 2a6r h LYS 25 Cb -0.01 -0.19 -0.03 0.00 -1.58 0.00 0.00 32.23 30.42 2a6r h LYS 25 CO -0.06 0.57 0.32 0.87 -1.08 0.00 0.00 179.45 180.07 2a6r h LYS 26 N 0.88 1.03 -0.38 3.15 1.79 -0.97 0.08 116.57 122.16 2a6r h LYS 26 Ca 0.28 -0.17 -0.04 0.00 -2.18 0.00 0.00 60.65 58.55 2a6r h LYS 26 Cb -0.00 -0.18 -0.02 0.00 -1.58 0.00 0.00 32.23 30.46 2a6r h LYS 26 CO -0.10 0.83 0.09 0.82 -1.08 0.00 0.00 179.45 180.00 2a6r h ILE 27 N 0.99 1.23 -0.67 1.86 2.04 -0.78 -0.59 117.51 121.58 2a6r h ILE 27 Ca 0.24 -0.79 -0.02 0.00 1.00 0.00 0.00 64.86 65.30 2a6r h ILE 27 Cb 0.16 1.02 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 2a6r h ILE 27 CO -0.03 0.27 0.35 0.78 0.00 0.00 0.00 178.15 179.52 2a6r h ASN 28 N 0.46 0.84 -0.73 1.72 2.35 -0.95 -0.47 115.58 118.80 2a6r h ASN 28 Ca 0.12 -0.07 -0.05 0.00 -0.55 0.00 0.00 56.30 55.74 2a6r h ASN 28 Cb 0.32 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.44 2a6r h ASN 28 CO 0.00 0.69 0.25 -0.08 -1.65 0.00 0.00 177.43 176.65 2a6r h GLU 29 N 0.94 1.12 -0.20 0.81 4.81 -0.55 -1.06 114.58 120.46 2a6r h GLU 29 Ca 0.24 -0.23 -0.17 0.00 -0.13 0.00 0.00 59.36 59.07 2a6r h GLU 29 Cb 0.05 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.26 2a6r h GLU 29 CO -0.04 0.95 -0.56 -0.07 -0.73 0.00 0.00 179.01 178.56 2a6r h LEU 30 N 1.07 0.69 -0.25 1.64 3.38 -0.40 -2.52 115.31 118.93 2a6r h LEU 30 Ca 0.24 -0.37 -0.05 0.00 0.09 0.00 0.00 57.88 57.79 2a6r h LEU 30 Cb 0.28 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2a6r h LEU 30 CO -0.01 1.11 -0.03 0.40 0.09 0.00 0.00 178.44 179.99 2a6r h ILE 31 N 0.47 1.27 -0.45 1.22 2.04 -0.92 -0.55 117.51 120.59 2a6r h ILE 31 Ca 0.01 -1.00 0.05 0.00 1.00 0.00 0.00 64.86 64.92 2a6r h ILE 31 Cb 1.12 1.43 -0.05 0.00 -0.74 0.00 0.00 36.82 38.58 2a6r h ILE 31 CO 0.11 0.31 0.19 0.50 0.00 0.00 0.00 178.15 179.26 2a6r h LYS 32 N 0.21 0.37 -0.13 2.37 3.64 -1.18 -1.76 116.57 120.09 2a6r h LYS 32 Ca 0.07 -0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.31 2a6r h LYS 32 Cb 0.48 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 2a6r h LYS 32 CO 0.02 0.24 -0.42 0.22 -2.27 0.00 0.00 179.45 177.24 2a6r h ASP 33 N 0.38 0.31 -0.08 4.20 3.58 -1.37 -2.89 116.42 120.55 2a6r h ASP 33 Ca 0.20 -0.13 -0.08 0.00 0.42 0.00 0.00 57.03 57.44 2a6r h ASP 33 Cb 0.17 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.12 2a6r h ASP 33 CO -0.18 0.70 -0.17 0.74 -2.88 0.00 0.00 179.24 177.44 2a6r h THR 34 N 0.25 1.24 -0.65 2.25 2.02 -0.44 -2.54 112.91 115.04 2a6r h THR 34 Ca 0.02 -1.08 0.10 0.00 0.77 0.00 0.00 66.41 66.22 2a6r h THR 34 Cb 0.85 1.23 -0.08 0.00 -1.74 0.00 0.00 68.15 68.42 2a6r h THR 34 CO 0.07 0.35 0.25 0.03 0.37 0.00 0.00 175.52 176.59 2a6r h ARG 35 N 0.41 0.42 0.00 6.66 3.08 -1.12 -1.59 114.38 122.24 2a6r h ARG 35 Ca 0.07 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.10 2a6r h ARG 35 Cb 0.54 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.50 2a6r h ARG 35 CO 0.04 0.28 0.00 -2.13 -1.07 0.00 0.00 179.97 177.08 2a6r n ARG 36 N -4.98 0.00 -3.58 0.04 0.63 -0.98 -4.52 116.66 103.27 2a6r n ARG 36 Ca 0.10 0.12 -0.40 0.00 -0.92 0.00 0.00 57.85 56.75 2a6r n ARG 36 Cb 0.30 -0.99 -0.07 0.00 0.45 0.00 0.00 32.46 32.15 2a6r n ARG 36 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 2a6r s THR 37 N -1.16 4.36 0.43 5.15 -4.23 -1.04 -4.96 115.64 114.19 2a6r s THR 37 Ca 0.00 -2.65 0.23 0.00 -1.18 0.00 0.00 61.69 58.08 2a6r s THR 37 Cb 0.00 -3.79 0.43 0.00 1.34 0.00 0.00 72.50 70.48 2a6r s THR 37 CO 0.00 -0.91 1.76 -0.65 -0.54 0.00 0.00 174.62 174.28 2a6r h PRO 38 N 7.45 0.28 0.00 3.99 0.11 -1.52 -2.39 132.00 139.92 2a6r h PRO 38 Ca -0.00 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.09 2a6r h PRO 38 Cb 1.00 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.04 2a6r h PRO 38 CO 0.74 0.19 -0.08 1.19 -0.21 0.00 0.00 178.00 179.83 2a6r n PHE 39 N -4.56 0.00 -3.88 0.65 3.01 -1.26 -4.96 117.46 106.46 2a6r n PHE 39 Ca 0.27 -1.05 -0.09 0.00 1.01 0.00 0.00 57.45 57.58 2a6r n PHE 39 Cb 1.00 -0.16 -0.08 0.00 -0.01 0.00 0.00 39.48 40.23 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 -2.87 0.74 0.00 -1.08 2.02 -0.90 -4.77 118.70 111.84 2a6r s GLU 40 Ca 0.32 -0.83 0.00 0.00 0.02 0.00 0.00 54.97 54.48 2a6r s GLU 40 Cb 0.29 0.30 0.00 0.00 0.10 0.00 0.00 34.13 34.82 2a6r s GLU 40 CO 0.01 -0.22 0.00 0.41 0.02 0.00 0.00 175.26 175.49 2a6r n GLY 41 N 0.33 0.11 3.74 -1.39 0.00 -1.26 -4.59 105.19 102.13 2a6r n GLY 41 Ca -0.17 -2.02 -0.39 0.00 0.00 0.00 0.00 46.02 43.44 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 1.91 -0.06 1.61 5.02 -1.26 -2.86 118.16 122.52 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 -2.56 0.00 0.00 -0.02 0.00 0.00 35.03 32.45 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 0.71 1.84 2.99 0.72 0.00 -1.26 -4.42 105.19 105.77 2a6r n GLY 43 Ca 0.08 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.00 -1.42 -1.55 1.61 5.02 -1.13 -1.25 118.16 117.43 2a6r n LYS 44 Ca 0.00 1.55 -0.40 0.00 -2.02 0.00 0.00 58.31 57.44 2a6r n LYS 44 Cb 0.00 -5.63 0.02 0.00 -0.02 0.00 0.00 35.03 29.40 2a6r n LYS 44 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 2a6r n PRO 45 N -1.55 0.96 -3.64 1.97 -0.02 -1.25 -4.71 135.00 126.76 2a6r n PRO 45 Ca 0.02 0.35 -0.09 0.00 -2.02 0.00 0.00 63.50 61.76 2a6r n PRO 45 Cb 0.49 -1.89 -0.07 0.00 -0.02 0.00 0.00 33.50 32.02 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 -2.05 0.48 0.86 -0.52 -1.05 -1.03 -4.95 118.70 110.44 2a6r s GLU 46 Ca 0.66 0.56 -0.11 0.00 -0.15 0.00 0.00 54.97 55.93 2a6r s GLU 46 Cb -0.53 0.24 0.11 0.00 -0.44 0.00 0.00 34.13 33.51 2a6r s GLU 46 CO 0.55 -0.06 1.15 -2.14 0.95 0.00 0.00 175.26 175.71 2a6r s PRO 47 N 0.17 1.43 0.11 -4.83 0.02 -1.26 -1.72 135.00 128.92 2a6r s PRO 47 Ca 0.03 1.53 0.06 0.00 0.02 0.00 0.00 61.00 62.65 2a6r s PRO 47 Cb -0.05 -1.77 -0.04 0.00 0.02 0.00 0.00 34.50 32.66 2a6r s PRO 47 CO -0.06 -2.33 -0.04 -0.51 -0.33 0.00 0.00 177.00 173.73 2a6r s LEU 48 N -6.22 3.26 0.08 -5.54 1.43 -0.72 -4.84 118.68 106.12 2a6r s LEU 48 Ca 0.67 -0.31 -0.33 0.00 -1.03 0.00 0.00 54.13 53.14 2a6r s LEU 48 Cb -0.23 -2.00 -0.17 0.00 0.03 0.00 0.00 46.19 43.81 2a6r s LEU 48 CO 0.55 0.16 1.62 0.11 0.23 0.00 0.00 176.35 179.02 2a6r h LYS 49 N 3.36 -0.84 -5.97 1.70 1.57 -1.96 -3.37 116.57 111.07 2a6r h LYS 49 Ca -0.48 0.06 -0.46 0.00 -1.87 0.00 0.00 60.65 57.89 2a6r h LYS 49 Cb 1.17 0.19 -0.04 0.00 0.08 0.00 0.00 32.23 33.63 2a6r h LYS 49 CO 0.56 -0.56 1.20 -1.01 -0.57 0.00 0.00 179.45 179.07 2a6r s HIS 50 N -6.03 1.79 -1.17 -1.35 3.76 -1.26 -4.91 115.29 106.12 2a6r s HIS 50 Ca -0.17 0.60 -0.15 0.00 -0.15 0.00 0.00 55.06 55.19 2a6r s HIS 50 Cb 0.04 -4.16 0.16 0.00 1.11 0.00 0.00 32.58 29.73 2a6r s HIS 50 CO 0.62 -2.15 1.40 -0.80 -0.85 0.00 0.00 174.74 172.96 2a6r s ASN 51 N 7.51 6.99 0.62 1.40 0.01 -1.26 -4.68 114.94 125.53 2a6r s ASN 51 Ca 0.64 -2.82 0.39 0.00 -0.71 0.00 0.00 52.86 50.36 2a6r s ASN 51 Cb -0.10 -2.41 2.02 0.00 0.41 0.00 0.00 41.25 41.16 2a6r s ASN 51 CO 0.14 -0.82 2.24 -0.07 -1.51 0.00 0.00 177.10 177.08 2a6r h LEU 52 N 9.97 0.00 0.00 0.60 3.38 -1.94 -3.40 115.31 123.93 2a6r h LEU 52 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 2a6r h LEU 52 Cb 0.90 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.65 2a6r h LEU 52 CO 1.24 0.01 0.00 -0.24 0.09 0.00 0.00 178.44 179.54 2a6r n SER 53 N -3.20 0.00 0.00 -0.43 2.88 -1.26 -5.04 113.62 106.56 2a6r n SER 53 Ca -0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 2a6r n SER 53 Cb 0.15 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.61 2a6r n SER 53 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2a6r n GLY 54 N 0.00 -0.03 3.86 0.46 0.00 -1.26 -5.16 105.19 103.06 2a6r n GLY 54 Ca 0.00 -0.28 -0.33 0.00 0.00 0.00 0.00 46.02 45.41 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 0.00 3.48 0.43 1.61 2.99 -1.26 -4.73 117.98 120.49 2a6r s PHE 55 Ca 0.00 0.97 0.06 0.00 0.00 0.00 0.00 56.93 57.96 2a6r s PHE 55 Cb 0.00 -2.33 -0.06 0.00 0.00 0.00 0.00 43.02 40.63 2a6r s PHE 55 CO 0.00 0.30 0.02 -1.58 -0.00 0.00 0.00 175.22 173.96 2a6r s TRP 56 N -1.72 2.38 -0.02 0.36 0.52 0.31 -1.76 118.94 119.01 2a6r s TRP 56 Ca 0.45 -0.73 -0.18 0.00 0.02 0.00 0.00 56.10 55.67 2a6r s TRP 56 Cb -0.12 -1.76 0.03 0.00 -1.15 0.00 0.00 33.47 30.47 2a6r s TRP 56 CO 0.20 0.38 0.38 0.45 0.02 0.00 0.00 176.95 178.38 2a6r s SER 57 N -3.76 -0.28 0.02 2.95 0.15 -0.70 -1.32 113.70 110.76 2a6r s SER 57 Ca 0.29 0.20 0.02 0.00 0.70 0.00 0.00 55.95 57.16 2a6r s SER 57 Cb 0.08 0.36 -0.01 0.00 -1.71 0.00 0.00 66.02 64.73 2a6r s SER 57 CO 0.15 -0.48 -0.06 -0.13 1.20 0.00 0.00 173.24 173.92 2a6r s ARG 58 N -1.34 0.45 -0.08 5.44 0.52 -0.69 -2.47 118.95 120.77 2a6r s ARG 58 Ca -0.13 -0.43 -0.30 0.00 -0.52 0.00 0.00 55.73 54.35 2a6r s ARG 58 Cb -0.04 -0.33 -0.03 0.00 0.52 0.00 0.00 34.95 35.07 2a6r s ARG 58 CO 0.05 0.08 1.33 0.50 0.02 0.00 0.00 175.30 177.28 2a6r s ARG 59 N -0.77 4.27 -0.10 3.54 3.52 -0.38 0.00 118.95 129.04 2a6r s ARG 59 Ca -0.04 1.81 -0.06 0.00 -0.13 0.00 0.00 55.73 57.31 2a6r s ARG 59 Cb -0.06 -3.69 -0.02 0.00 -1.56 0.00 0.00 34.95 29.62 2a6r s ARG 59 CO 0.00 -0.62 -0.12 0.82 -0.81 0.00 0.00 175.30 174.57 2a6r h ILE 60 N 5.23 0.00 -1.40 4.11 2.04 -1.44 -3.41 117.51 122.63 2a6r h ILE 60 Ca -0.33 -0.69 -0.10 0.00 1.00 0.00 0.00 64.86 64.74 2a6r h ILE 60 Cb 1.15 0.00 -0.25 0.00 -0.74 0.00 0.00 36.82 36.97 2a6r h ILE 60 CO 0.93 0.00 -0.47 0.28 0.00 0.00 0.00 178.15 178.88 2a6r s THR 61 N -1.84 -0.79 0.00 -0.27 -1.32 -0.85 -4.99 115.64 105.58 2a6r s THR 61 Ca -0.10 -0.18 0.00 0.00 -1.21 0.00 0.00 61.69 60.20 2a6r s THR 61 Cb 0.01 -0.95 0.00 0.00 -1.51 0.00 0.00 72.50 70.05 2a6r s THR 61 CO 0.15 -0.17 0.00 -1.84 -2.21 0.00 0.00 174.62 170.55 2a6r n GLU 62 N 5.32 0.00 -0.18 7.08 0.28 -1.26 -1.35 120.64 130.53 2a6r n GLU 62 Ca 0.03 0.00 -0.09 0.00 -0.16 0.00 0.00 57.16 56.94 2a6r n GLU 62 Cb 0.51 0.00 0.01 0.00 1.43 0.00 0.00 31.44 33.39 2a6r n GLU 62 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 2a6r h GLU 63 N 0.00 0.82 -6.39 3.44 4.39 -2.01 -3.44 114.58 111.40 2a6r h GLU 63 Ca 0.00 -0.20 -0.54 0.00 0.34 0.00 0.00 59.36 58.96 2a6r h GLU 63 Cb 0.00 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.52 2a6r h GLU 63 CO 0.00 0.79 0.36 -1.01 -1.16 0.00 0.00 179.01 178.00 2a6r s HIS 64 N -5.28 3.65 0.15 4.33 3.76 -0.46 -4.71 115.29 116.73 2a6r s HIS 64 Ca -0.13 1.67 0.08 0.00 -0.15 0.00 0.00 55.06 56.54 2a6r s HIS 64 Cb 0.12 -3.11 -0.04 0.00 1.11 0.00 0.00 32.58 30.66 2a6r s HIS 64 CO 0.80 -0.01 -0.18 1.03 -0.85 0.00 0.00 174.74 175.52 2a6r s ARG 65 N 1.04 1.21 -0.50 1.40 0.52 -1.26 -1.10 118.95 120.26 2a6r s ARG 65 Ca 0.51 -1.33 -0.14 0.00 -0.52 0.00 0.00 55.73 54.25 2a6r s ARG 65 Cb -0.21 -1.30 0.11 0.00 0.52 0.00 0.00 34.95 34.08 2a6r s ARG 65 CO 0.27 0.27 0.43 -1.17 0.02 0.00 0.00 175.30 175.12 2a6r s LEU 66 N -2.47 5.88 -0.00 2.53 2.96 0.10 -3.91 118.68 123.76 2a6r s LEU 66 Ca 0.13 -1.69 -0.20 0.00 -0.22 0.00 0.00 54.13 52.15 2a6r s LEU 66 Cb -0.07 -2.15 -0.05 0.00 0.50 0.00 0.00 46.19 44.42 2a6r s LEU 66 CO 0.06 -0.75 0.58 -0.69 -1.32 0.00 0.00 176.35 174.23 2a6r s VAL 67 N 1.55 4.91 0.17 1.68 1.01 -0.54 -1.71 120.40 127.47 2a6r s VAL 67 Ca 0.04 1.22 -0.18 0.00 0.00 0.00 0.00 61.98 63.05 2a6r s VAL 67 Cb -0.27 -3.92 0.04 0.00 0.00 0.00 0.00 36.38 32.23 2a6r s VAL 67 CO 0.03 0.43 0.51 -0.72 0.00 0.00 0.00 175.10 175.35 2a6r s TYR 68 N -0.25 -0.22 0.23 5.22 -0.85 -0.43 -0.76 117.35 120.28 2a6r s TYR 68 Ca 0.30 -0.09 0.10 0.00 -0.52 0.00 0.00 57.07 56.86 2a6r s TYR 68 Cb -0.18 0.39 -0.05 0.00 0.38 0.00 0.00 41.96 42.50 2a6r s TYR 68 CO 0.17 -0.85 -0.18 0.00 -1.52 0.00 0.00 175.55 173.16 2a6r s ALA 69 N -3.83 2.36 -0.01 9.51 0.00 -0.11 -0.53 121.76 129.16 2a6r s ALA 69 Ca 0.06 -1.72 -0.02 0.00 0.00 0.00 0.00 51.96 50.29 2a6r s ALA 69 Cb -0.00 -0.20 -0.00 0.00 0.00 0.00 0.00 23.12 22.92 2a6r s ALA 69 CO -0.07 0.22 0.03 0.08 0.00 0.00 0.00 175.76 176.02 2a6r s VAL 70 N -2.49 0.03 0.11 0.00 1.01 -1.26 -1.95 120.40 115.84 2a6r s VAL 70 Ca 0.24 -0.23 0.01 0.00 0.00 0.00 0.00 61.98 62.00 2a6r s VAL 70 Cb -0.04 -0.13 -0.00 0.00 0.00 0.00 0.00 36.38 36.21 2a6r s VAL 70 CO 0.10 -0.12 0.03 0.35 0.00 0.00 0.00 175.10 175.46 2a6r n THR 71 N 2.66 0.00 0.44 3.92 -2.24 0.09 -4.98 114.28 114.17 2a6r n THR 71 Ca -0.15 -0.61 0.11 0.00 -2.27 0.00 0.00 64.05 61.13 2a6r n THR 71 Cb 0.59 0.21 0.46 0.00 -2.10 0.00 0.00 70.33 69.49 2a6r n THR 71 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2a6r n ASP 72 N -1.82 0.59 0.00 3.42 8.00 -1.26 -3.92 116.55 121.56 2a6r n ASP 72 Ca -0.02 0.64 0.00 0.00 0.71 0.00 0.00 54.79 56.12 2a6r n ASP 72 Cb 0.16 -0.76 0.00 0.00 -0.02 0.00 0.00 41.12 40.49 2a6r n ASP 72 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 2a6r n ASP 73 N -2.14 0.00 -4.30 -2.24 5.75 -1.26 -4.97 116.55 107.39 2a6r n ASP 73 Ca 0.03 -0.01 -0.31 0.00 -0.01 0.00 0.00 54.79 54.49 2a6r n ASP 73 Cb 0.24 0.00 -0.16 0.00 -1.03 0.00 0.00 41.12 40.17 2a6r n ASP 73 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 2a6r s SER 74 N 0.00 3.15 -0.49 -1.12 0.01 -1.25 0.47 113.70 114.47 2a6r s SER 74 Ca 0.00 -0.47 0.03 0.00 1.31 0.00 0.00 55.95 56.83 2a6r s SER 74 Cb 0.00 -0.65 0.13 0.00 0.21 0.00 0.00 66.02 65.71 2a6r s SER 74 CO 0.00 0.28 0.24 -0.22 0.41 0.00 0.00 173.24 173.95 2a6r s LEU 75 N -0.38 3.94 -0.16 2.44 2.96 0.41 -0.73 118.68 127.16 2a6r s LEU 75 Ca 0.03 -2.85 -0.25 0.00 -0.22 0.00 0.00 54.13 50.85 2a6r s LEU 75 Cb -0.12 -1.49 -0.02 0.00 0.50 0.00 0.00 46.19 45.06 2a6r s LEU 75 CO 0.02 -0.25 0.80 -0.22 -1.32 0.00 0.00 176.35 175.37 2a6r s LEU 76 N -0.04 4.19 -0.48 -0.68 0.20 -0.82 -1.55 118.68 119.50 2a6r s LEU 76 Ca 0.17 1.15 -0.17 0.00 0.69 0.00 0.00 54.13 55.97 2a6r s LEU 76 Cb -0.25 -3.19 0.06 0.00 -0.43 0.00 0.00 46.19 42.38 2a6r s LEU 76 CO -0.01 -0.36 0.46 -0.63 -0.29 0.00 0.00 176.35 175.53 2a6r s ILE 77 N 1.97 5.12 0.13 6.68 -1.09 0.17 -0.93 121.20 133.25 2a6r s ILE 77 Ca 0.37 -0.84 0.12 0.00 -2.23 0.00 0.00 60.65 58.07 2a6r s ILE 77 Cb -0.17 -4.17 -0.04 0.00 -1.58 0.00 0.00 42.46 36.50 2a6r s ILE 77 CO 0.13 -0.63 1.49 0.00 -1.23 0.00 0.00 174.94 174.71 2a6r h ALA 78 N 8.82 0.72 -1.68 9.38 0.00 -1.24 -3.05 119.26 132.20 2a6r h ALA 78 Ca -0.28 -0.62 0.19 0.00 0.00 0.00 0.00 54.91 54.20 2a6r h ALA 78 Cb 1.11 -0.11 -0.19 0.00 0.00 0.00 0.00 17.79 18.60 2a6r h ALA 78 CO 0.89 0.85 0.70 0.00 0.00 0.00 0.00 179.25 181.69 2a6r s ALA 79 N -3.19 -1.99 0.00 0.00 0.00 -1.16 -4.22 121.76 111.20 2a6r s ALA 79 Ca 0.01 1.46 0.08 0.00 0.00 0.00 0.00 51.96 53.51 2a6r s ALA 79 Cb 0.11 -0.15 0.14 0.00 0.00 0.00 0.00 23.12 23.21 2a6r s ALA 79 CO 0.76 -0.55 0.96 0.00 0.00 0.00 0.00 175.76 176.93 2a6r s ARG 81 N 0.00 0.60 -0.24 0.00 3.52 -1.25 -4.76 118.95 116.82 2a6r s ARG 81 Ca 0.11 0.71 -0.12 0.00 -0.13 0.00 0.00 55.73 56.30 2a6r s ARG 81 Cb 0.12 0.29 -0.05 0.00 -1.56 0.00 0.00 34.95 33.76 2a6r s ARG 81 CO -0.05 -0.07 0.23 -0.47 -0.81 0.00 0.00 175.30 174.12 2a6r s TYR 82 N 0.26 3.30 -0.21 5.12 5.04 -1.26 -4.85 117.35 124.74 2a6r s TYR 82 Ca -0.00 0.29 -0.14 0.00 -2.44 0.00 0.00 57.07 54.77 2a6r s TYR 82 Cb -0.04 -2.36 -0.04 0.00 0.35 0.00 0.00 41.96 39.87 2a6r s TYR 82 CO 0.01 -0.02 0.33 -1.01 -1.34 0.00 0.00 175.55 173.52 2a6r s HIS 83 N 1.34 3.36 -2.74 4.97 3.76 -1.26 -4.95 115.29 119.77 2a6r s HIS 83 Ca 0.10 0.51 0.26 0.00 -0.15 0.00 0.00 55.06 55.78 2a6r s HIS 83 Cb -0.14 -2.45 0.63 0.00 1.11 0.00 0.00 32.58 31.73 2a6r s HIS 83 CO 0.07 0.02 1.51 0.66 -0.85 0.00 0.00 174.74 176.14