#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a6s s LYS 2 N 0.00 3.58 -0.17 2.12 1.02 -0.43 -4.89 119.74 120.97 2a6s s LYS 2 Ca 0.00 0.54 0.01 0.00 0.02 0.00 0.00 55.97 56.54 2a6s s LYS 2 Cb 0.00 -2.19 0.02 0.00 -0.52 0.00 0.00 37.83 35.14 2a6s s LYS 2 CO 0.00 -0.43 -0.20 -1.17 -0.92 0.00 0.00 175.35 172.63 2a6s s LEU 3 N -5.00 2.13 -0.11 3.17 2.96 -1.26 -0.22 118.68 120.34 2a6s s LEU 3 Ca 0.52 -0.64 0.03 0.00 -0.22 0.00 0.00 54.13 53.82 2a6s s LEU 3 Cb -0.11 -1.48 0.00 0.00 0.50 0.00 0.00 46.19 45.11 2a6s s LEU 3 CO 0.50 0.01 -0.23 -0.63 -1.32 0.00 0.00 176.35 174.68 2a6s s ILE 4 N 1.23 2.10 0.11 6.68 1.01 0.14 -4.96 121.20 127.51 2a6s s ILE 4 Ca 0.03 -0.99 0.08 0.00 0.00 0.00 0.00 60.65 59.77 2a6s s ILE 4 Cb -0.13 -1.81 -0.04 0.00 0.01 0.00 0.00 42.46 40.49 2a6s s ILE 4 CO -0.12 0.56 -0.14 0.26 0.00 0.00 0.00 174.94 175.50 2a6s s TRP 5 N 0.47 2.63 0.60 3.97 0.52 -1.26 -0.54 118.94 125.33 2a6s s TRP 5 Ca -0.15 -0.21 0.00 0.00 0.02 0.00 0.00 56.10 55.75 2a6s s TRP 5 Cb -0.17 -1.39 0.05 0.00 -1.15 0.00 0.00 33.47 30.81 2a6s s TRP 5 CO 0.06 0.40 0.84 -1.54 0.02 0.00 0.00 176.95 176.73 2a6s s SER 6 N -2.14 5.05 0.31 2.95 1.04 -1.23 -4.87 113.70 114.81 2a6s s SER 6 Ca 0.19 -0.03 0.01 0.00 0.48 0.00 0.00 55.95 56.61 2a6s s SER 6 Cb -0.11 -0.73 0.51 0.00 0.10 0.00 0.00 66.02 65.79 2a6s s SER 6 CO 0.12 -1.33 1.88 -0.33 0.98 0.00 0.00 173.24 174.56 2a6s h GLU 7 N -0.12 0.75 -0.25 4.02 3.07 -1.97 -0.97 114.58 119.11 2a6s h GLU 7 Ca -0.41 -0.12 -0.05 0.00 -0.50 0.00 0.00 59.36 58.27 2a6s h GLU 7 Cb 1.29 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 29.07 2a6s h GLU 7 CO 0.51 0.65 -0.06 0.93 -1.40 0.00 0.00 179.01 179.64 2a6s h GLU 8 N 0.73 0.47 -0.00 2.33 3.07 -1.93 -1.92 114.58 117.34 2a6s h GLU 8 Ca 0.17 -0.18 -0.15 0.00 -0.50 0.00 0.00 59.36 58.70 2a6s h GLU 8 Cb 0.21 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.07 2a6s h GLU 8 CO -0.01 0.70 -0.72 0.66 -1.40 0.00 0.00 179.01 178.24 2a6s h SER 9 N 0.21 0.02 -0.39 1.42 4.64 -1.66 -1.93 113.55 115.87 2a6s h SER 9 Ca 0.06 -0.02 -0.11 0.00 -0.47 0.00 0.00 61.79 61.26 2a6s h SER 9 Cb 0.52 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.59 2a6s h SER 9 CO 0.02 0.74 -0.16 -0.25 -0.87 0.00 0.00 176.83 176.31 2a6s h TRP 10 N 0.01 0.97 -0.75 4.77 2.91 -1.18 -1.47 115.95 121.21 2a6s h TRP 10 Ca -0.01 -0.20 -0.02 0.00 1.13 0.00 0.00 58.89 59.79 2a6s h TRP 10 Cb 1.28 -0.24 -0.04 0.00 -0.51 0.00 0.00 29.16 29.65 2a6s h TRP 10 CO 0.00 0.96 0.39 0.22 -1.03 0.00 0.00 178.44 178.98 2a6s h ASP 11 N 0.76 0.96 -0.53 2.65 3.58 -1.13 0.31 116.42 123.02 2a6s h ASP 11 Ca 0.12 -0.11 0.02 0.00 0.42 0.00 0.00 57.03 57.48 2a6s h ASP 11 Cb 0.68 -0.24 -0.04 0.00 1.72 0.00 0.00 39.33 41.45 2a6s h ASP 11 CO 0.05 0.79 0.32 0.44 -2.88 0.00 0.00 179.24 177.96 2a6s h ASP 12 N 1.05 0.52 -0.50 2.28 3.32 -0.90 0.27 116.42 122.45 2a6s h ASP 12 Ca 0.26 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.27 2a6s h ASP 12 Cb 0.07 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 2a6s h ASP 12 CO -0.04 0.36 0.15 0.22 -1.72 0.00 0.00 179.24 178.21 2a6s h TYR 13 N 0.63 0.82 -0.32 4.55 3.20 -0.74 -1.98 116.97 123.13 2a6s h TYR 13 Ca 0.21 -0.09 -0.06 0.00 3.14 0.00 0.00 58.73 61.94 2a6s h TYR 13 Cb 0.02 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.04 2a6s h TYR 13 CO -0.06 0.71 -0.04 -0.07 -1.64 0.00 0.00 178.16 177.06 2a6s h LEU 14 N 0.68 0.48 -0.45 2.82 3.38 -0.60 -1.36 115.31 120.27 2a6s h LEU 14 Ca 0.16 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 2a6s h LEU 14 Cb 0.29 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 2a6s h LEU 14 CO -0.00 0.58 0.27 0.22 0.09 0.00 0.00 178.44 179.60 2a6s h TYR 15 N 0.49 0.60 -0.28 1.13 3.20 -0.40 -2.20 116.97 119.50 2a6s h TYR 15 Ca 0.10 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.89 2a6s h TYR 15 Cb 0.38 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.44 2a6s h TYR 15 CO 0.01 0.43 -0.16 -1.49 -1.64 0.00 0.00 178.16 175.30 2a6s h TRP 16 N 0.60 0.54 -0.37 -3.82 -0.00 -0.76 -0.88 115.95 111.26 2a6s h TRP 16 Ca 0.16 -0.09 -0.01 0.00 -0.00 0.00 0.00 58.89 58.95 2a6s h TRP 16 Cb 0.00 -0.14 -0.02 0.00 -0.00 0.00 0.00 29.16 29.00 2a6s h TRP 16 CO -0.03 0.64 0.21 1.96 -0.00 0.00 0.00 178.44 181.22 2a6s h GLN 17 N 0.45 0.51 -0.02 0.49 4.20 -0.68 0.14 115.11 120.20 2a6s h GLN 17 Ca 0.08 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.75 2a6s h GLN 17 Cb 0.55 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.22 2a6s h GLN 17 CO 0.04 0.37 -0.19 -0.85 -0.67 0.00 0.00 178.83 177.53 2a6s n GLU 18 N -4.44 1.68 -0.04 1.46 0.28 -0.94 -4.62 120.64 114.02 2a6s n GLU 18 Ca 0.02 -1.30 -0.09 0.00 -0.16 0.00 0.00 57.16 55.63 2a6s n GLU 18 Cb 0.09 -1.47 -0.03 0.00 1.43 0.00 0.00 31.44 31.46 2a6s n GLU 18 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 2a6s n THR 19 N 0.48 0.49 -3.34 3.84 -1.04 -0.37 -5.03 114.28 109.30 2a6s n THR 19 Ca 0.13 -0.12 -0.11 0.00 -2.04 0.00 0.00 64.05 61.92 2a6s n THR 19 Cb 0.49 -1.62 -0.07 0.00 -1.82 0.00 0.00 70.33 67.30 2a6s n THR 19 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2a6s s ASP 20 N -5.79 0.59 0.52 8.00 -1.08 0.40 -5.01 116.67 114.30 2a6s s ASP 20 Ca -0.12 -0.25 0.24 0.00 -0.52 0.00 0.00 52.55 51.90 2a6s s ASP 20 Cb 0.05 0.99 1.36 0.00 -1.46 0.00 0.00 42.92 43.85 2a6s s ASP 20 CO 0.15 -0.34 2.01 0.11 0.52 0.00 0.00 175.17 177.62 2a6s h LYS 21 N 8.19 0.03 -0.40 4.34 1.57 -1.85 -1.49 116.57 126.96 2a6s h LYS 21 Ca -0.13 -0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.55 2a6s h LYS 21 Cb 1.12 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.41 2a6s h LYS 21 CO 0.28 0.02 -0.13 0.00 -0.57 0.00 0.00 179.45 179.04 2a6s h ARG 22 N 0.03 0.72 -0.14 3.15 3.08 -1.95 -1.95 114.38 117.32 2a6s h ARG 22 Ca 0.23 -0.24 -0.17 0.00 0.07 0.00 0.00 59.98 59.87 2a6s h ARG 22 Cb 0.88 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.87 2a6s h ARG 22 CO -0.01 0.82 -0.63 0.82 -1.07 0.00 0.00 179.97 179.91 2a6s h ILE 23 N 0.65 1.34 -0.55 2.04 1.08 -1.63 -1.77 117.51 118.67 2a6s h ILE 23 Ca 0.11 -1.93 -0.01 0.00 -0.39 0.00 0.00 64.86 62.64 2a6s h ILE 23 Cb 0.60 1.91 -0.03 0.00 -3.07 0.00 0.00 36.82 36.23 2a6s h ILE 23 CO 0.04 0.59 0.30 0.58 -0.69 0.00 0.00 178.15 178.97 2a6s h VAL 24 N 0.36 1.18 -0.74 1.67 2.07 -1.26 0.19 116.25 119.74 2a6s h VAL 24 Ca -0.01 -0.47 -0.03 0.00 0.82 0.00 0.00 66.70 67.01 2a6s h VAL 24 Cb 1.18 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 31.41 2a6s h VAL 24 CO 0.11 0.20 0.34 0.50 0.02 0.00 0.00 177.57 178.74 2a6s h LYS 25 N 0.74 1.07 -0.68 1.57 3.64 -1.20 0.01 116.57 121.72 2a6s h LYS 25 Ca 0.19 -0.17 -0.06 0.00 -1.27 0.00 0.00 60.65 59.34 2a6s h LYS 25 Cb 0.05 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 31.65 2a6s h LYS 25 CO -0.03 0.85 0.18 0.87 -2.27 0.00 0.00 179.45 179.05 2a6s h LYS 26 N 1.04 1.07 -0.36 1.90 1.57 -0.81 -0.11 116.57 120.87 2a6s h LYS 26 Ca 0.25 -0.24 -0.05 0.00 -1.87 0.00 0.00 60.65 58.74 2a6s h LYS 26 Cb 0.14 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 2a6s h LYS 26 CO -0.03 0.94 0.04 0.82 -0.57 0.00 0.00 179.45 180.65 2a6s h ILE 27 N 1.02 1.25 -0.98 1.86 2.04 -0.48 -1.09 117.51 121.13 2a6s h ILE 27 Ca 0.22 -0.90 0.01 0.00 1.00 0.00 0.00 64.86 65.18 2a6s h ILE 27 Cb 0.34 1.12 -0.05 0.00 -0.74 0.00 0.00 36.82 37.50 2a6s h ILE 27 CO -0.00 0.30 0.64 0.78 0.00 0.00 0.00 178.15 179.88 2a6s h ASN 28 N 0.45 1.14 -0.71 1.72 2.35 -0.65 -0.42 115.58 119.45 2a6s h ASN 28 Ca 0.11 -0.04 -0.03 0.00 -0.55 0.00 0.00 56.30 55.80 2a6s h ASN 28 Cb 0.40 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.45 2a6s h ASN 28 CO 0.01 0.83 0.34 -0.08 -1.65 0.00 0.00 177.43 176.88 2a6s h GLU 29 N 1.34 1.02 -0.51 0.81 4.81 -0.75 -0.81 114.58 120.49 2a6s h GLU 29 Ca 0.36 -0.15 -0.11 0.00 -0.13 0.00 0.00 59.36 59.32 2a6s h GLU 29 Cb -0.14 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.04 2a6s h GLU 29 CO -0.08 0.81 -0.12 -0.07 -0.73 0.00 0.00 179.01 178.82 2a6s h LEU 30 N 0.99 1.00 -0.54 1.64 3.38 -0.53 -1.33 115.31 119.91 2a6s h LEU 30 Ca 0.24 -0.36 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 2a6s h LEU 30 Cb 0.12 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 2a6s h LEU 30 CO -0.03 1.12 0.24 0.40 0.09 0.00 0.00 178.44 180.26 2a6s h ILE 31 N 0.86 1.21 -0.82 1.22 2.04 -0.82 0.10 117.51 121.30 2a6s h ILE 31 Ca 0.13 -0.63 -0.03 0.00 1.00 0.00 0.00 64.86 65.33 2a6s h ILE 31 Cb 0.69 0.61 -0.04 0.00 -0.74 0.00 0.00 36.82 37.34 2a6s h ILE 31 CO 0.05 0.24 0.38 0.50 0.00 0.00 0.00 178.15 179.32 2a6s h LYS 32 N 0.74 1.19 -0.22 2.37 3.64 -1.00 -0.62 116.57 122.66 2a6s h LYS 32 Ca 0.18 -0.19 -0.16 0.00 -1.27 0.00 0.00 60.65 59.22 2a6s h LYS 32 Cb 0.16 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 2a6s h LYS 32 CO -0.02 0.93 -0.51 0.22 -2.27 0.00 0.00 179.45 177.80 2a6s h ASP 33 N 1.17 0.68 -0.11 4.20 3.58 -0.87 -2.75 116.42 122.32 2a6s h ASP 33 Ca 0.28 -0.35 -0.10 0.00 0.42 0.00 0.00 57.03 57.28 2a6s h ASP 33 Cb 0.14 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 40.98 2a6s h ASP 33 CO -0.03 1.07 -0.24 0.74 -2.88 0.00 0.00 179.24 177.89 2a6s h THR 34 N 0.49 1.27 -0.71 2.25 2.02 -0.46 -0.99 112.91 116.77 2a6s h THR 34 Ca 0.02 -1.28 -0.03 0.00 0.77 0.00 0.00 66.41 65.88 2a6s h THR 34 Cb 1.05 1.31 -0.03 0.00 -1.74 0.00 0.00 68.15 68.74 2a6s h THR 34 CO 0.10 0.41 0.31 -0.09 0.37 0.00 0.00 175.52 176.63 2a6s h ARG 35 N 0.49 1.04 0.16 6.66 9.65 -0.99 0.64 114.38 132.02 2a6s h ARG 35 Ca 0.07 -0.16 -0.01 0.00 -1.10 0.00 0.00 59.98 58.78 2a6s h ARG 35 Cb 0.68 -0.18 0.00 0.00 -1.39 0.00 0.00 29.97 29.08 2a6s h ARG 35 CO 0.05 0.82 -0.08 -0.09 2.80 0.00 0.00 179.97 183.47 2a6s h ARG 36 N 1.02 -0.21 -2.66 0.20 2.43 -1.14 -3.41 114.38 110.61 2a6s h ARG 36 Ca 0.24 0.01 -0.55 0.00 -0.81 0.00 0.00 59.98 58.88 2a6s h ARG 36 Cb 0.15 0.05 -0.39 0.00 -0.42 0.00 0.00 29.97 29.36 2a6s h ARG 36 CO -0.03 0.18 -0.82 0.95 -1.51 0.00 0.00 179.97 178.75 2a6s s THR 37 N -4.24 0.03 0.44 0.20 -4.23 -0.42 -5.04 115.64 102.38 2a6s s THR 37 Ca -0.14 -1.28 0.23 0.00 -1.18 0.00 0.00 61.69 59.31 2a6s s THR 37 Cb 0.02 -1.05 0.43 0.00 1.34 0.00 0.00 72.50 73.23 2a6s s THR 37 CO 0.57 -0.87 1.80 -0.65 -0.54 0.00 0.00 174.62 174.93 2a6s h PRO 38 N 7.62 0.28 -0.26 3.99 0.11 -1.09 -2.90 132.00 139.75 2a6s h PRO 38 Ca -0.05 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.04 2a6s h PRO 38 Cb 0.99 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.04 2a6s h PRO 38 CO 0.34 0.19 0.00 1.19 -0.21 0.00 0.00 178.00 179.50 2a6s n PHE 39 N -4.49 0.66 -3.79 0.65 3.01 -1.26 -4.91 117.46 107.32 2a6s n PHE 39 Ca 0.23 -0.72 -0.10 0.00 1.01 0.00 0.00 57.45 57.88 2a6s n PHE 39 Cb 0.91 -0.18 -0.07 0.00 -0.01 0.00 0.00 39.48 40.13 2a6s n PHE 39 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 2a6s s GLU 40 N -2.05 0.88 0.00 -1.08 2.02 -1.10 -4.76 118.70 112.62 2a6s s GLU 40 Ca 0.32 -0.84 0.00 0.00 0.02 0.00 0.00 54.97 54.48 2a6s s GLU 40 Cb 0.24 0.37 0.00 0.00 0.10 0.00 0.00 34.13 34.84 2a6s s GLU 40 CO 0.11 -0.30 0.00 0.41 0.02 0.00 0.00 175.26 175.50 2a6s n GLY 41 N 0.01 0.21 3.67 -1.39 0.00 -1.26 -4.68 105.19 101.75 2a6s n GLY 41 Ca -0.16 -1.95 -0.45 0.00 0.00 0.00 0.00 46.02 43.45 2a6s n GLY 41 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2a6s n LYS 42 N 0.00 2.13 -0.58 1.61 5.02 -1.26 -2.15 118.16 122.94 2a6s n LYS 42 Ca 0.00 0.77 0.00 0.00 -2.02 0.00 0.00 58.31 57.06 2a6s n LYS 42 Cb 0.00 -2.50 0.00 0.00 -0.02 0.00 0.00 35.03 32.51 2a6s n LYS 42 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2a6s n GLY 43 N 2.90 0.94 3.36 0.72 0.00 -1.26 -4.48 105.19 107.38 2a6s n GLY 43 Ca 0.15 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.05 2a6s n GLY 43 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2a6s n LYS 44 N -2.00 -1.41 -1.63 1.61 4.81 -0.91 -0.99 118.16 117.64 2a6s n LYS 44 Ca 0.00 1.15 -0.48 0.00 -0.87 0.00 0.00 58.31 58.11 2a6s n LYS 44 Cb 0.00 -4.45 -0.04 0.00 0.02 0.00 0.00 35.03 30.56 2a6s n LYS 44 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 2a6s n PRO 45 N -2.29 1.62 -3.88 1.64 -0.02 -1.26 -4.75 135.00 126.06 2a6s n PRO 45 Ca -0.12 0.58 -0.11 0.00 -2.02 0.00 0.00 63.50 61.83 2a6s n PRO 45 Cb 0.58 -2.21 -0.12 0.00 -0.02 0.00 0.00 33.50 31.73 2a6s n PRO 45 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 2a6s s GLU 46 N 0.07 0.26 0.67 -0.52 -1.05 -0.93 -4.89 118.70 112.31 2a6s s GLU 46 Ca 0.75 -0.20 -0.13 0.00 -0.15 0.00 0.00 54.97 55.25 2a6s s GLU 46 Cb -0.78 0.11 -0.00 0.00 -0.44 0.00 0.00 34.13 33.02 2a6s s GLU 46 CO 0.47 -0.05 1.07 -2.14 0.95 0.00 0.00 175.26 175.56 2a6s s PRO 47 N -0.72 2.96 0.24 -4.83 0.02 -1.26 -1.35 135.00 130.05 2a6s s PRO 47 Ca -0.08 1.11 0.11 0.00 0.02 0.00 0.00 61.00 62.16 2a6s s PRO 47 Cb -0.05 -1.99 -0.05 0.00 0.02 0.00 0.00 34.50 32.44 2a6s s PRO 47 CO 0.00 -1.09 -0.13 -0.51 -0.33 0.00 0.00 177.00 174.94 2a6s s LEU 48 N -5.17 2.80 0.41 -5.54 1.43 0.02 -4.85 118.68 107.79 2a6s s LEU 48 Ca 0.61 -0.79 0.03 0.00 -1.03 0.00 0.00 54.13 52.95 2a6s s LEU 48 Cb -0.16 -1.40 -0.03 0.00 0.03 0.00 0.00 46.19 44.63 2a6s s LEU 48 CO 0.47 0.06 0.09 -0.54 0.23 0.00 0.00 176.35 176.67 2a6s s LYS 49 N -3.23 1.92 3.43 1.70 -0.14 -1.26 -4.13 119.74 118.03 2a6s s LYS 49 Ca 0.27 -2.16 0.00 0.00 -1.36 0.00 0.00 55.97 52.72 2a6s s LYS 49 Cb -0.07 -0.83 0.00 0.00 -1.68 0.00 0.00 37.83 35.25 2a6s s LYS 49 CO 0.15 -0.40 0.00 0.72 -0.76 0.00 0.00 175.35 175.07 2a6s n HIS 50 N -0.93 0.00 -0.23 3.18 8.25 -1.26 -1.74 115.22 122.50 2a6s n HIS 50 Ca -0.07 0.00 0.26 0.00 -0.26 0.00 0.00 57.72 57.65 2a6s n HIS 50 Cb 0.66 0.00 0.65 0.00 1.12 0.00 0.00 29.99 32.42 2a6s n HIS 50 CO 0.00 0.00 0.00 -0.97 0.64 0.00 0.00 176.34 176.01 2a6s h ASN 51 N 0.00 0.15 -0.55 0.41 -0.00 -2.05 -2.16 115.58 111.38 2a6s h ASN 51 Ca 0.00 0.02 -0.40 0.00 -0.00 0.00 0.00 56.30 55.92 2a6s h ASN 51 Cb 0.00 -0.01 -0.34 0.00 -0.00 0.00 0.00 38.32 37.97 2a6s h ASN 51 CO 0.00 0.05 -0.79 0.18 -0.00 0.00 0.00 177.43 176.87 2a6s n LEU 52 N -4.36 4.09 -4.75 0.34 7.99 -0.71 -5.07 117.00 114.53 2a6s n LEU 52 Ca 0.20 -4.36 -0.41 0.00 -0.01 0.00 0.00 56.01 51.44 2a6s n LEU 52 Cb 0.93 -0.29 -0.02 0.00 -0.11 0.00 0.00 43.42 43.92 2a6s n LEU 52 CO 0.35 1.83 1.11 -0.55 -1.51 0.00 0.00 177.39 178.62 2a6s s SER 53 N -3.51 6.60 0.00 -1.43 0.15 -0.81 -1.55 113.70 113.16 2a6s s SER 53 Ca 0.46 2.75 0.00 0.00 0.70 0.00 0.00 55.95 59.86 2a6s s SER 53 Cb 0.39 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 62.07 2a6s s SER 53 CO 0.01 -0.72 0.00 0.61 1.20 0.00 0.00 173.24 174.33 2a6s n GLY 54 N 1.81 0.79 3.66 9.45 0.00 -1.26 -5.00 105.19 114.64 2a6s n GLY 54 Ca 0.05 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.84 2a6s n GLY 54 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2a6s s PHE 55 N -2.59 2.62 0.15 1.61 0.40 -0.59 -4.56 117.98 115.01 2a6s s PHE 55 Ca 0.00 -0.36 0.03 0.00 -0.60 0.00 0.00 56.93 56.00 2a6s s PHE 55 Cb 0.00 -1.44 -0.05 0.00 0.51 0.00 0.00 43.02 42.05 2a6s s PHE 55 CO 0.00 0.48 -0.06 -1.58 0.70 0.00 0.00 175.22 174.76 2a6s s TRP 56 N -2.45 1.21 0.00 0.36 0.52 0.73 -0.80 118.94 118.52 2a6s s TRP 56 Ca 0.35 -0.86 -0.02 0.00 0.02 0.00 0.00 56.10 55.59 2a6s s TRP 56 Cb -0.02 -0.66 -0.01 0.00 -1.15 0.00 0.00 33.47 31.63 2a6s s TRP 56 CO 0.20 -0.03 0.03 -1.54 0.02 0.00 0.00 176.95 175.63 2a6s s SER 57 N -3.16 0.10 0.09 2.95 1.04 -0.46 -1.00 113.70 113.26 2a6s s SER 57 Ca 0.18 -0.25 0.07 0.00 0.48 0.00 0.00 55.95 56.43 2a6s s SER 57 Cb 0.04 0.13 -0.03 0.00 0.10 0.00 0.00 66.02 66.25 2a6s s SER 57 CO 0.01 -0.23 -0.17 -0.13 0.98 0.00 0.00 173.24 173.70 2a6s s ARG 58 N -0.98 0.97 0.00 4.02 0.52 -0.25 -2.18 118.95 121.05 2a6s s ARG 58 Ca -0.11 -1.08 -0.30 0.00 -0.52 0.00 0.00 55.73 53.73 2a6s s ARG 58 Cb -0.06 -1.08 -0.03 0.00 0.52 0.00 0.00 34.95 34.29 2a6s s ARG 58 CO -0.00 0.24 1.01 0.50 0.02 0.00 0.00 175.30 177.07 2a6s s ARG 59 N -1.91 4.54 -0.23 3.54 3.52 -0.16 -0.58 118.95 127.67 2a6s s ARG 59 Ca 0.03 1.46 -0.16 0.00 -0.13 0.00 0.00 55.73 56.93 2a6s s ARG 59 Cb -0.09 -3.45 -0.10 0.00 -1.56 0.00 0.00 34.95 29.74 2a6s s ARG 59 CO 0.03 -0.09 -0.27 -0.89 -0.81 0.00 0.00 175.30 173.28 2a6s n ILE 60 N 3.93 1.51 -4.13 4.11 5.41 -0.49 -4.44 119.36 125.26 2a6s n ILE 60 Ca 0.06 -0.11 -0.14 0.00 1.00 0.00 0.00 62.75 63.56 2a6s n ILE 60 Cb 0.50 -2.10 -0.06 0.00 -0.71 0.00 0.00 39.64 37.27 2a6s n ILE 60 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 2a6s s THR 61 N -2.59 0.00 0.51 1.39 -4.23 -0.62 -4.98 115.64 105.12 2a6s s THR 61 Ca -0.32 -1.72 0.28 0.00 -1.18 0.00 0.00 61.69 58.74 2a6s s THR 61 Cb 0.09 -2.52 0.32 0.00 1.34 0.00 0.00 72.50 71.73 2a6s s THR 61 CO 0.46 0.00 2.17 -0.33 -0.54 0.00 0.00 174.62 176.37 2a6s h GLU 62 N 2.23 0.00 0.00 3.99 3.07 -2.01 -2.83 114.58 119.03 2a6s h GLU 62 Ca -0.29 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.57 2a6s h GLU 62 Cb 1.24 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.15 2a6s h GLU 62 CO 0.40 0.06 -1.48 0.39 -1.40 0.00 0.00 179.01 176.98 2a6s n GLU 63 N -3.80 0.38 -4.58 2.33 1.02 -1.26 -4.94 120.64 109.78 2a6s n GLU 63 Ca -0.02 -0.09 -0.22 0.00 -0.02 0.00 0.00 57.16 56.80 2a6s n GLU 63 Cb 0.15 -1.53 -0.16 0.00 -0.02 0.00 0.00 31.44 29.88 2a6s n GLU 63 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2a6s s HIS 64 N -3.29 1.25 0.13 -0.32 3.76 -1.07 -3.87 115.29 111.89 2a6s s HIS 64 Ca -0.01 -0.31 0.06 0.00 -0.15 0.00 0.00 55.06 54.65 2a6s s HIS 64 Cb 0.15 -0.85 -0.04 0.00 1.11 0.00 0.00 32.58 32.94 2a6s s HIS 64 CO 0.88 -0.10 -0.14 1.03 -0.85 0.00 0.00 174.74 175.55 2a6s s ARG 65 N 0.03 1.07 -0.33 1.40 0.52 0.44 -1.40 118.95 120.68 2a6s s ARG 65 Ca -0.01 -1.30 -0.14 0.00 -0.52 0.00 0.00 55.73 53.76 2a6s s ARG 65 Cb -0.09 -0.94 -0.02 0.00 0.52 0.00 0.00 34.95 34.42 2a6s s ARG 65 CO 0.01 0.18 0.30 -1.17 0.02 0.00 0.00 175.30 174.64 2a6s s LEU 66 N -2.59 4.43 -0.21 2.53 2.96 0.25 -3.74 118.68 122.32 2a6s s LEU 66 Ca 0.11 -0.27 -0.07 0.00 -0.22 0.00 0.00 54.13 53.68 2a6s s LEU 66 Cb -0.04 -2.25 -0.04 0.00 0.50 0.00 0.00 46.19 44.36 2a6s s LEU 66 CO 0.03 -0.27 0.07 -0.69 -1.32 0.00 0.00 176.35 174.17 2a6s s VAL 67 N 1.89 4.62 0.18 1.68 1.01 -0.22 -1.09 120.40 128.46 2a6s s VAL 67 Ca 0.09 -0.09 -0.11 0.00 0.00 0.00 0.00 61.98 61.88 2a6s s VAL 67 Cb -0.17 -3.11 -0.00 0.00 0.00 0.00 0.00 36.38 33.10 2a6s s VAL 67 CO 0.11 0.41 0.35 -0.72 0.00 0.00 0.00 175.10 175.25 2a6s s TYR 68 N 0.84 0.30 0.19 5.22 -0.85 -0.17 -0.35 117.35 122.52 2a6s s TYR 68 Ca 0.04 -0.65 0.05 0.00 -0.52 0.00 0.00 57.07 55.98 2a6s s TYR 68 Cb -0.14 0.05 -0.05 0.00 0.38 0.00 0.00 41.96 42.21 2a6s s TYR 68 CO 0.02 -0.79 -0.07 0.00 -1.52 0.00 0.00 175.55 173.20 2a6s s ALA 69 N -3.96 1.70 -0.13 9.51 0.00 -0.03 -0.19 121.76 128.66 2a6s s ALA 69 Ca 0.16 -1.63 -0.01 0.00 0.00 0.00 0.00 51.96 50.48 2a6s s ALA 69 Cb 0.02 0.19 0.03 0.00 0.00 0.00 0.00 23.12 23.36 2a6s s ALA 69 CO 0.00 -0.13 -0.05 0.08 0.00 0.00 0.00 175.76 175.67 2a6s s VAL 70 N -3.29 0.95 -0.07 0.00 1.01 -1.26 -0.81 120.40 116.92 2a6s s VAL 70 Ca 0.22 -0.36 -0.29 0.00 0.00 0.00 0.00 61.98 61.55 2a6s s VAL 70 Cb 0.03 -1.06 0.07 0.00 0.00 0.00 0.00 36.38 35.42 2a6s s VAL 70 CO 0.05 0.24 0.65 0.28 0.00 0.00 0.00 175.10 176.32 2a6s s THR 71 N 1.72 0.01 -1.46 3.92 -1.32 -0.64 -4.96 115.64 112.91 2a6s s THR 71 Ca 0.03 -0.04 -0.04 0.00 -1.21 0.00 0.00 61.69 60.43 2a6s s THR 71 Cb -0.14 -0.96 0.03 0.00 -1.51 0.00 0.00 72.50 69.92 2a6s s THR 71 CO -0.08 -0.02 0.50 -0.67 -2.21 0.00 0.00 174.62 172.14 2a6s n ASP 72 N 1.18 -0.97 -3.96 8.08 2.03 -1.26 -0.44 116.55 121.21 2a6s n ASP 72 Ca -0.19 -1.00 -0.32 0.00 0.52 0.00 0.00 54.79 53.81 2a6s n ASP 72 Cb 0.57 -3.04 0.01 0.00 -0.72 0.00 0.00 41.12 37.93 2a6s n ASP 72 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2a6s n ASP 73 N -2.93 -4.31 -3.98 1.67 4.64 -1.26 -4.85 116.55 105.52 2a6s n ASP 73 Ca -0.23 -0.81 -0.13 0.00 -1.38 0.00 0.00 54.79 52.23 2a6s n ASP 73 Cb 0.65 -3.47 -0.13 0.00 -1.04 0.00 0.00 41.12 37.13 2a6s n ASP 73 CO 0.00 0.00 0.00 -0.44 -0.82 0.00 0.00 177.20 175.94 2a6s s SER 74 N -3.23 0.51 -0.34 1.67 0.01 0.42 -1.32 113.70 111.41 2a6s s SER 74 Ca 0.67 -0.31 -0.12 0.00 1.31 0.00 0.00 55.95 57.51 2a6s s SER 74 Cb -0.35 0.01 -0.00 0.00 0.21 0.00 0.00 66.02 65.89 2a6s s SER 74 CO 0.83 -0.11 0.21 -0.22 0.41 0.00 0.00 173.24 174.36 2a6s s LEU 75 N -0.84 4.48 -0.35 2.44 2.96 0.69 -1.63 118.68 126.44 2a6s s LEU 75 Ca -0.06 -0.61 -0.14 0.00 -0.22 0.00 0.00 54.13 53.10 2a6s s LEU 75 Cb -0.06 -2.07 -0.01 0.00 0.50 0.00 0.00 46.19 44.55 2a6s s LEU 75 CO -0.00 -0.27 0.30 -0.76 -1.32 0.00 0.00 176.35 174.30 2a6s s LEU 76 N 1.65 4.56 -0.27 -0.68 1.02 0.01 -0.68 118.68 124.29 2a6s s LEU 76 Ca 0.05 -0.41 -0.19 0.00 0.02 0.00 0.00 54.13 53.59 2a6s s LEU 76 Cb -0.18 -2.23 -0.02 0.00 0.02 0.00 0.00 46.19 43.79 2a6s s LEU 76 CO 0.08 -0.31 0.59 -0.63 0.02 0.00 0.00 176.35 176.10 2a6s s ILE 77 N 1.85 5.00 -0.08 -0.59 -1.09 0.30 -0.85 121.20 125.74 2a6s s ILE 77 Ca 0.08 0.95 0.11 0.00 -2.23 0.00 0.00 60.65 59.56 2a6s s ILE 77 Cb -0.17 -3.92 -0.24 0.00 -1.58 0.00 0.00 42.46 36.55 2a6s s ILE 77 CO 0.11 -0.01 0.53 0.00 -1.23 0.00 0.00 174.94 174.34 2a6s n ALA 78 N 5.70 1.41 -3.56 9.38 0.00 0.53 -3.57 120.51 130.40 2a6s n ALA 78 Ca -0.02 -0.82 -0.09 0.00 0.00 0.00 0.00 53.44 52.51 2a6s n ALA 78 Cb 0.49 -0.73 -0.04 0.00 0.00 0.00 0.00 19.45 19.18 2a6s n ALA 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2a6s s ALA 79 N -2.58 -1.92 -0.19 0.00 0.00 -1.15 -4.09 121.76 111.83 2a6s s ALA 79 Ca -0.08 1.42 0.19 0.00 0.00 0.00 0.00 51.96 53.49 2a6s s ALA 79 Cb 0.08 -0.32 0.42 0.00 0.00 0.00 0.00 23.12 23.29 2a6s s ALA 79 CO 0.81 -0.46 1.20 0.00 0.00 0.00 0.00 175.76 177.32 2a6s s ARG 81 N -1.77 0.36 2.30 0.00 3.52 -1.25 -4.77 118.95 117.34 2a6s s ARG 81 Ca 0.22 0.54 0.00 0.00 -0.13 0.00 0.00 55.73 56.37 2a6s s ARG 81 Cb 0.33 0.09 0.00 0.00 -1.56 0.00 0.00 34.95 33.81 2a6s s ARG 81 CO -0.08 -0.09 0.00 0.66 -0.81 0.00 0.00 175.30 174.98 2a6s n TYR 82 N 3.42 -1.15 0.34 5.12 0.53 -1.25 -3.56 117.16 120.60 2a6s n TYR 82 Ca -0.17 0.00 0.12 0.00 -1.02 0.00 0.00 57.90 56.83 2a6s n TYR 82 Cb 0.56 0.18 0.23 0.00 -1.03 0.00 0.00 39.34 39.28 2a6s n TYR 82 CO 0.00 0.00 0.00 0.45 -1.02 0.00 0.00 176.86 176.29 2a6s h HIS 83 N 0.00 0.00 0.00 -0.72 3.86 -1.88 0.13 115.15 116.54 2a6s h HIS 83 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2a6s h HIS 83 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 2a6s h HIS 83 CO 0.00 0.00 0.00 2.48 0.86 0.00 0.00 177.93 181.27