#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 3.40 -0.23 2.12 1.02 -0.74 -4.82 119.74 120.49 2a6s s LYS 2 Ca 0.00 1.19 -0.02 0.00 0.02 0.00 0.00 55.97 57.16 2a6s s LYS 2 Cb 0.00 -2.04 0.01 0.00 -0.52 0.00 0.00 37.83 35.27 2a6s s LYS 2 CO 0.00 -0.75 -0.07 -1.17 -0.92 0.00 0.00 175.35 172.45 2a6s s LEU 3 N -4.41 2.92 -0.16 3.17 2.96 -1.26 -0.11 118.68 121.80 2a6s s LEU 3 Ca 0.63 -0.61 -0.02 0.00 -0.22 0.00 0.00 54.13 53.92 2a6s s LEU 3 Cb -0.16 -1.68 -0.01 0.00 0.50 0.00 0.00 46.19 44.84 2a6s s LEU 3 CO 0.36 -0.06 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.59 2a6s s ILE 4 N 1.40 3.19 -0.03 6.68 1.01 0.35 -4.97 121.20 128.83 2a6s s ILE 4 Ca 0.04 -0.59 0.04 0.00 0.00 0.00 0.00 60.65 60.14 2a6s s ILE 4 Cb -0.15 -2.38 -0.03 0.00 0.01 0.00 0.00 42.46 39.91 2a6s s ILE 4 CO -0.05 0.49 -0.15 0.26 0.00 0.00 0.00 174.94 175.50 2a6s s TRP 5 N 0.70 2.67 0.71 3.97 0.52 -1.26 -0.26 118.94 125.99 2a6s s TRP 5 Ca -0.05 -0.18 -0.05 0.00 0.02 0.00 0.00 56.10 55.85 2a6s s TRP 5 Cb -0.15 -1.59 0.09 0.00 -1.15 0.00 0.00 33.47 30.66 2a6s s TRP 5 CO 0.02 0.20 0.99 -1.54 0.02 0.00 0.00 176.95 176.64 2a6s s SER 6 N -0.89 4.60 0.28 2.95 1.04 -1.24 -4.84 113.70 115.60 2a6s s SER 6 Ca 0.12 0.12 -0.03 0.00 0.48 0.00 0.00 55.95 56.65 2a6s s SER 6 Cb -0.11 -0.68 0.39 0.00 0.10 0.00 0.00 66.02 65.72 2a6s s SER 6 CO 0.02 -1.70 1.93 -0.33 0.98 0.00 0.00 173.24 174.13 2a6s h GLU 7 N -0.56 1.08 -0.23 4.02 5.08 -1.97 -1.65 114.58 120.36 2a6s h GLU 7 Ca -0.42 -0.10 -0.09 0.00 -1.00 0.00 0.00 59.36 57.75 2a6s h GLU 7 Cb 1.29 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 30.31 2a6s h GLU 7 CO 0.51 0.76 -0.22 0.93 -1.00 0.00 0.00 179.01 179.99 2a6s h GLU 8 N 1.10 0.55 -0.00 2.33 3.07 -1.93 -2.55 114.58 117.15 2a6s h GLU 8 Ca 0.29 -0.29 -0.14 0.00 -0.50 0.00 0.00 59.36 58.72 2a6s h GLU 8 Cb -0.04 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 27.86 2a6s h GLU 8 CO -0.05 0.88 -0.66 0.66 -1.40 0.00 0.00 179.01 178.44 2a6s h SER 9 N 0.24 0.00 -0.32 1.42 4.64 -1.67 -1.83 113.55 116.04 2a6s h SER 9 Ca 0.04 -0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.21 2a6s h SER 9 Cb 0.78 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.86 2a6s h SER 9 CO 0.06 0.66 -0.35 -0.25 -0.87 0.00 0.00 176.83 176.08 2a6s h TRP 10 N 0.00 1.02 -0.74 4.77 2.91 -1.35 -1.76 115.95 120.80 2a6s h TRP 10 Ca -0.01 -0.29 -0.01 0.00 1.13 0.00 0.00 58.89 59.72 2a6s h TRP 10 Cb 1.16 -0.22 -0.04 0.00 -0.51 0.00 0.00 29.16 29.56 2a6s h TRP 10 CO 0.00 1.08 0.44 0.22 -1.03 0.00 0.00 178.44 179.15 2a6s h ASP 11 N 0.72 0.90 -0.44 2.65 3.58 -1.22 0.56 116.42 123.16 2a6s h ASP 11 Ca 0.07 -0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.46 2a6s h ASP 11 Cb 0.92 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.72 2a6s h ASP 11 CO 0.08 0.70 0.25 0.44 -2.88 0.00 0.00 179.24 177.83 2a6s h ASP 12 N 1.03 0.55 -0.52 2.28 3.32 -0.93 -0.00 116.42 122.14 2a6s h ASP 12 Ca 0.27 -0.08 -0.04 0.00 0.02 0.00 0.00 57.03 57.20 2a6s h ASP 12 Cb -0.03 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 2a6s h ASP 12 CO -0.05 0.46 0.17 0.22 -1.72 0.00 0.00 179.24 178.33 2a6s h TYR 13 N 0.58 0.82 -0.35 4.55 3.20 -0.53 -2.06 116.97 123.18 2a6s h TYR 13 Ca 0.16 -0.08 -0.05 0.00 3.14 0.00 0.00 58.73 61.90 2a6s h TYR 13 Cb 0.03 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.04 2a6s h TYR 13 CO -0.03 0.70 0.01 -0.07 -1.64 0.00 0.00 178.16 177.14 2a6s h LEU 14 N 0.70 0.51 -0.44 2.82 3.38 -0.67 -1.62 115.31 120.00 2a6s h LEU 14 Ca 0.17 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2a6s h LEU 14 Cb 0.25 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 2a6s h LEU 14 CO -0.01 0.57 0.28 0.22 0.09 0.00 0.00 178.44 179.60 2a6s h TYR 15 N 0.52 0.55 -0.20 1.13 3.20 -0.34 -1.86 116.97 119.97 2a6s h TYR 15 Ca 0.11 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.94 2a6s h TYR 15 Cb 0.32 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.39 2a6s h TYR 15 CO 0.01 0.36 -0.10 -1.49 -1.64 0.00 0.00 178.16 175.30 2a6s h TRP 16 N 0.59 0.34 0.00 -3.82 4.06 -0.75 -0.68 115.95 115.68 2a6s h TRP 16 Ca 0.16 -0.04 -0.02 0.00 2.06 0.00 0.00 58.89 61.05 2a6s h TRP 16 Cb -0.05 -0.10 -0.00 0.00 -1.00 0.00 0.00 29.16 28.01 2a6s h TRP 16 CO -0.04 0.43 -0.11 1.96 -3.56 0.00 0.00 178.44 177.11 2a6s h GLN 17 N 0.31 0.00 -0.55 0.49 4.20 -0.54 0.76 115.11 119.77 2a6s h GLN 17 Ca 0.06 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.77 2a6s h GLN 17 Cb 0.38 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.16 2a6s h GLN 17 CO 0.02 0.11 0.00 0.39 -0.67 0.00 0.00 178.83 178.68 2a6s n GLU 18 N -3.47 2.65 0.00 1.46 -0.58 -0.39 -4.67 120.64 115.64 2a6s n GLU 18 Ca -0.01 -2.40 0.00 0.00 -0.42 0.00 0.00 57.16 54.33 2a6s n GLU 18 Cb 0.27 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.66 2a6s n GLU 18 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 2a6s n THR 19 N 1.32 0.00 -3.15 2.62 -1.04 -0.46 -5.06 114.28 108.51 2a6s n THR 19 Ca 0.20 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 62.25 2a6s n THR 19 Cb 0.56 -0.72 -0.00 0.00 -1.82 0.00 0.00 70.33 68.35 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 -4.37 -1.49 0.62 8.00 -1.08 0.16 -5.01 116.67 113.50 2a6s s ASP 20 Ca 0.00 0.46 0.36 0.00 -0.52 0.00 0.00 52.55 52.85 2a6s s ASP 20 Cb 0.00 2.06 2.07 0.00 -1.46 0.00 0.00 42.92 45.59 2a6s s ASP 20 CO 0.00 -0.27 2.30 0.07 0.52 0.00 0.00 175.17 177.78 2a6s h LYS 21 N 7.98 0.00 -0.27 4.34 2.10 -1.87 -0.96 116.57 127.89 2a6s h LYS 21 Ca -0.10 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.43 2a6s h LYS 21 Cb 1.18 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.50 2a6s h LYS 21 CO 0.18 0.01 -0.33 0.00 -2.00 0.00 0.00 179.45 177.31 2a6s h ARG 22 N 0.00 0.58 -0.05 0.07 -0.00 -1.95 -2.01 114.38 111.02 2a6s h ARG 22 Ca -0.00 -0.26 -0.18 0.00 -0.50 0.00 0.00 59.98 59.03 2a6s h ARG 22 Cb 0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 29.97 29.97 2a6s h ARG 22 CO 0.00 0.84 -0.77 0.82 0.00 0.00 0.00 179.97 180.86 2a6s h ILE 23 N 0.50 1.41 -0.52 2.04 1.08 -1.54 -1.83 117.51 118.65 2a6s h ILE 23 Ca 0.06 -2.26 0.00 0.00 -0.39 0.00 0.00 64.86 62.27 2a6s h ILE 23 Cb 0.81 2.21 -0.03 0.00 -3.07 0.00 0.00 36.82 36.75 2a6s h ILE 23 CO 0.07 0.67 0.33 0.58 -0.69 0.00 0.00 178.15 179.11 2a6s h VAL 24 N 0.21 1.15 -0.47 1.67 2.07 -1.26 0.07 116.25 119.69 2a6s h VAL 24 Ca -0.03 -0.30 0.01 0.00 0.82 0.00 0.00 66.70 67.20 2a6s h VAL 24 Cb 1.35 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 31.51 2a6s h VAL 24 CO 0.13 0.14 0.30 0.11 0.02 0.00 0.00 177.57 178.27 2a6s h LYS 25 N 0.70 0.60 -0.69 1.57 1.79 -1.19 0.17 116.57 119.51 2a6s h LYS 25 Ca 0.19 -0.04 0.01 0.00 -2.18 0.00 0.00 60.65 58.63 2a6s h LYS 25 Cb -0.05 -0.13 -0.03 0.00 -1.58 0.00 0.00 32.23 30.43 2a6s h LYS 25 CO -0.04 0.40 0.45 -0.22 -1.08 0.00 0.00 179.45 178.96 2a6s h LYS 26 N 0.62 0.92 -0.63 3.15 1.63 -0.81 -0.35 116.57 121.10 2a6s h LYS 26 Ca 0.18 -0.06 -0.06 0.00 -0.85 0.00 0.00 60.65 59.85 2a6s h LYS 26 Cb -0.05 -0.20 -0.03 0.00 -0.60 0.00 0.00 32.23 31.35 2a6s h LYS 26 CO -0.05 0.61 0.14 0.82 -3.45 0.00 0.00 179.45 177.53 2a6s h ILE 27 N 0.94 1.26 -0.84 2.00 2.04 -0.52 -0.50 117.51 121.89 2a6s h ILE 27 Ca 0.25 -0.95 -0.01 0.00 1.00 0.00 0.00 64.86 65.16 2a6s h ILE 27 Cb -0.10 0.66 -0.04 0.00 -0.74 0.00 0.00 36.82 36.60 2a6s h ILE 27 CO -0.05 0.36 0.48 0.78 0.00 0.00 0.00 178.15 179.71 2a6s h ASN 28 N 0.94 1.04 0.08 1.72 2.35 -0.36 -0.03 115.58 121.31 2a6s h ASN 28 Ca 0.20 -0.09 -0.13 0.00 -0.55 0.00 0.00 56.30 55.73 2a6s h ASN 28 Cb 0.37 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 2a6s h ASN 28 CO 0.00 0.82 -0.43 -0.33 -1.65 0.00 0.00 177.43 175.84 2a6s h GLU 29 N 1.17 0.44 -0.51 0.81 4.39 -0.76 -0.91 114.58 119.21 2a6s h GLU 29 Ca 0.30 -0.23 -0.12 0.00 0.34 0.00 0.00 59.36 59.65 2a6s h GLU 29 Cb -0.00 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.64 2a6s h GLU 29 CO -0.05 0.79 -0.15 -0.07 -1.16 0.00 0.00 179.01 178.37 2a6s h LEU 30 N 0.36 1.00 -0.57 1.33 3.38 -0.53 -1.04 115.31 119.24 2a6s h LEU 30 Ca 0.03 -0.34 -0.07 0.00 0.09 0.00 0.00 57.88 57.58 2a6s h LEU 30 Cb 0.90 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 2a6s h LEU 30 CO 0.08 1.13 0.08 0.40 0.09 0.00 0.00 178.44 180.21 2a6s h ILE 31 N 0.87 1.26 -0.71 1.22 2.04 -0.78 -0.55 117.51 120.86 2a6s h ILE 31 Ca 0.13 -1.01 -0.07 0.00 1.00 0.00 0.00 64.86 64.91 2a6s h ILE 31 Cb 0.71 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.55 2a6s h ILE 31 CO 0.05 0.37 0.19 0.50 0.00 0.00 0.00 178.15 179.26 2a6s h LYS 32 N 0.86 1.13 -0.19 2.37 3.64 -0.96 -1.23 116.57 122.18 2a6s h LYS 32 Ca 0.17 -0.26 -0.12 0.00 -1.27 0.00 0.00 60.65 59.17 2a6s h LYS 32 Cb 0.44 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 2a6s h LYS 32 CO 0.01 0.98 -0.40 0.22 -2.27 0.00 0.00 179.45 178.00 2a6s h ASP 33 N 1.07 0.47 -0.16 4.20 3.58 -0.98 -2.50 116.42 122.09 2a6s h ASP 33 Ca 0.23 -0.20 -0.11 0.00 0.42 0.00 0.00 57.03 57.36 2a6s h ASP 33 Cb 0.35 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.26 2a6s h ASP 33 CO -0.00 0.82 -0.25 0.74 -2.88 0.00 0.00 179.24 177.67 2a6s h THR 34 N 0.37 1.27 -0.43 2.25 2.02 -0.70 -0.07 112.91 117.63 2a6s h THR 34 Ca 0.03 -1.33 -0.08 0.00 0.77 0.00 0.00 66.41 65.81 2a6s h THR 34 Cb 0.87 1.30 -0.02 0.00 -1.74 0.00 0.00 68.15 68.56 2a6s h THR 34 CO 0.07 0.43 -0.06 -0.09 0.37 0.00 0.00 175.52 176.24 2a6s h ARG 35 N 0.54 0.74 0.31 6.66 1.12 -0.99 -0.33 114.38 122.43 2a6s h ARG 35 Ca 0.08 -0.22 -0.01 0.00 -1.11 0.00 0.00 59.98 58.71 2a6s h ARG 35 Cb 0.72 -0.08 0.00 0.00 -0.01 0.00 0.00 29.97 30.60 2a6s h ARG 35 CO 0.06 0.80 -0.15 -0.09 -3.11 0.00 0.00 179.97 177.47 2a6s h ARG 36 N 0.68 -0.39 -2.84 0.20 2.43 -1.00 -3.41 114.38 110.06 2a6s h ARG 36 Ca 0.13 0.03 -0.57 0.00 -0.81 0.00 0.00 59.98 58.75 2a6s h ARG 36 Cb 0.51 0.09 -0.40 0.00 -0.42 0.00 0.00 29.97 29.76 2a6s h ARG 36 CO 0.03 -0.06 -0.80 0.95 -1.51 0.00 0.00 179.97 178.57 2a6s s THR 37 N -4.44 0.40 0.38 0.20 -4.23 -0.08 -5.03 115.64 102.83 2a6s s THR 37 Ca -0.14 -1.56 0.19 0.00 -1.18 0.00 0.00 61.69 59.00 2a6s s THR 37 Cb 0.02 -1.30 0.38 0.00 1.34 0.00 0.00 72.50 72.94 2a6s s THR 37 CO 0.52 -0.86 1.70 -0.65 -0.54 0.00 0.00 174.62 174.78 2a6s h PRO 38 N 7.47 0.32 -0.05 3.99 0.11 -1.27 -2.70 132.00 139.88 2a6s h PRO 38 Ca -0.04 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.02 2a6s h PRO 38 Cb 0.98 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.00 2a6s h PRO 38 CO 0.37 0.21 -0.33 1.19 -0.21 0.00 0.00 178.00 179.23 2a6s n PHE 39 N -4.81 0.17 -3.91 0.65 3.01 -1.26 -4.90 117.46 106.40 2a6s n PHE 39 Ca 0.30 -1.39 -0.09 0.00 1.01 0.00 0.00 57.45 57.28 2a6s n PHE 39 Cb 1.02 -0.26 -0.08 0.00 -0.01 0.00 0.00 39.48 40.14 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 -3.16 0.72 0.00 -1.08 0.41 -1.02 -4.85 118.70 109.73 2a6s s GLU 40 Ca 0.38 -0.91 0.00 0.00 -0.41 0.00 0.00 54.97 54.03 2a6s s GLU 40 Cb 0.36 0.29 0.00 0.00 -1.78 0.00 0.00 34.13 32.99 2a6s s GLU 40 CO -0.04 -0.20 0.00 0.41 -0.49 0.00 0.00 175.26 174.94 2a6s n GLY 41 N 0.27 -0.05 3.64 -1.39 0.00 -1.26 -4.70 105.19 101.70 2a6s n GLY 41 Ca -0.16 -1.91 -0.47 0.00 0.00 0.00 0.00 46.02 43.47 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 1.75 -0.79 1.61 5.02 -1.26 -2.18 118.16 122.30 2a6s n LYS 42 Ca 0.00 0.63 0.00 0.00 -2.02 0.00 0.00 58.31 56.92 2a6s n LYS 42 Cb 0.00 -2.27 0.00 0.00 -0.02 0.00 0.00 35.03 32.74 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 2.49 0.74 3.44 0.72 0.00 -1.26 -4.43 105.19 106.89 2a6s n GLY 43 Ca 0.15 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.42 -1.45 -1.63 1.61 4.81 -0.93 -1.08 118.16 117.08 2a6s n LYS 44 Ca 0.00 1.12 -0.48 0.00 -0.87 0.00 0.00 58.31 58.08 2a6s n LYS 44 Cb 0.00 -3.95 -0.04 0.00 0.02 0.00 0.00 35.03 31.06 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 -2.19 1.60 -3.83 1.64 -0.02 -1.26 -4.72 135.00 126.23 2a6s n PRO 45 Ca -0.17 0.58 -0.12 0.00 -2.02 0.00 0.00 63.50 61.77 2a6s n PRO 45 Cb 0.60 -2.23 -0.10 0.00 -0.02 0.00 0.00 33.50 31.75 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 0.27 0.44 0.28 -0.52 -1.05 -0.61 -4.94 118.70 112.58 2a6s s GLU 46 Ca 0.78 -0.13 -0.29 0.00 -0.15 0.00 0.00 54.97 55.17 2a6s s GLU 46 Cb -0.80 0.19 -0.10 0.00 -0.44 0.00 0.00 34.13 32.99 2a6s s GLU 46 CO 0.46 -0.10 1.15 -2.14 0.95 0.00 0.00 175.26 175.58 2a6s s PRO 47 N -0.88 4.57 0.49 -4.83 0.02 -1.26 -0.69 135.00 132.42 2a6s s PRO 47 Ca -0.10 1.89 0.00 0.00 0.02 0.00 0.00 61.00 62.82 2a6s s PRO 47 Cb -0.05 -3.17 0.01 0.00 0.02 0.00 0.00 34.50 31.31 2a6s s PRO 47 CO 0.02 0.10 0.72 -0.51 -0.33 0.00 0.00 177.00 176.99 2a6s s LEU 48 N -1.39 3.50 0.00 -5.54 1.43 -0.31 -4.89 118.68 111.47 2a6s s LEU 48 Ca 0.46 0.20 0.00 0.00 -1.03 0.00 0.00 54.13 53.76 2a6s s LEU 48 Cb -0.34 -3.07 0.00 0.00 0.03 0.00 0.00 46.19 42.81 2a6s s LEU 48 CO 0.43 -0.87 0.00 0.29 0.23 0.00 0.00 176.35 176.43 2a6s n LYS 49 N -2.19 2.30 0.00 1.70 5.02 -1.26 -4.10 118.16 119.63 2a6s n LYS 49 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 2a6s n LYS 49 Cb 0.58 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.59 2a6s n LYS 49 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2a6s n HIS 50 N 0.00 0.00 1.27 2.13 8.25 -1.26 -0.30 115.22 125.32 2a6s n HIS 50 Ca 0.00 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.50 2a6s n HIS 50 Cb 0.00 0.01 0.24 0.00 1.12 0.00 0.00 29.99 31.37 2a6s n HIS 50 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 2a6s n ASN 51 N 1.68 0.00 -0.38 0.41 6.94 -1.26 -2.29 115.26 120.35 2a6s n ASN 51 Ca 0.00 -1.02 0.04 0.00 -0.02 0.00 0.00 54.58 53.58 2a6s n ASN 51 Cb 0.00 0.00 0.10 0.00 -2.36 0.00 0.00 39.78 37.52 2a6s n ASN 51 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 2a6s n LEU 52 N -0.70 2.62 -4.75 -4.53 4.77 0.59 -5.03 117.00 109.98 2a6s n LEU 52 Ca 0.06 -2.16 -0.41 0.00 -0.03 0.00 0.00 56.01 53.46 2a6s n LEU 52 Cb 0.03 -0.19 -0.01 0.00 -2.33 0.00 0.00 43.42 40.92 2a6s n LEU 52 CO 0.05 0.64 1.23 -0.44 -1.33 0.00 0.00 177.39 177.54 2a6s s SER 53 N -1.21 6.37 0.00 -1.43 0.01 -0.97 -2.24 113.70 114.23 2a6s s SER 53 Ca 0.17 2.96 0.00 0.00 1.31 0.00 0.00 55.95 60.39 2a6s s SER 53 Cb 0.11 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.70 2a6s s SER 53 CO 0.08 -0.91 0.00 0.61 0.41 0.00 0.00 173.24 173.43 2a6s n GLY 54 N 1.97 2.77 3.78 3.44 0.00 -1.26 -5.01 105.19 110.86 2a6s n GLY 54 Ca 0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.45 3.02 0.28 1.61 0.40 -0.95 -4.75 117.98 115.13 2a6s s PHE 55 Ca 0.00 -0.13 0.10 0.00 -0.60 0.00 0.00 56.93 56.30 2a6s s PHE 55 Cb 0.00 -1.37 -0.05 0.00 0.51 0.00 0.00 43.02 42.11 2a6s s PHE 55 CO 0.00 0.54 -0.15 -1.58 0.70 0.00 0.00 175.22 174.74 2a6s s TRP 56 N -2.12 2.14 0.01 0.36 0.52 0.82 -1.16 118.94 119.52 2a6s s TRP 56 Ca 0.32 -0.47 0.02 0.00 0.02 0.00 0.00 56.10 55.99 2a6s s TRP 56 Cb -0.08 -1.05 -0.01 0.00 -1.15 0.00 0.00 33.47 31.18 2a6s s TRP 56 CO 0.23 0.55 -0.06 0.45 0.02 0.00 0.00 176.95 178.14 2a6s s SER 57 N -3.48 0.69 0.03 2.95 0.15 0.14 -0.80 113.70 113.39 2a6s s SER 57 Ca 0.29 -0.27 0.06 0.00 0.70 0.00 0.00 55.95 56.72 2a6s s SER 57 Cb -0.01 -0.03 -0.02 0.00 -1.71 0.00 0.00 66.02 64.25 2a6s s SER 57 CO 0.13 -0.04 -0.16 -0.13 1.20 0.00 0.00 173.24 174.24 2a6s s ARG 58 N -0.70 1.09 0.02 5.44 0.52 -0.51 -1.57 118.95 123.25 2a6s s ARG 58 Ca -0.03 -0.78 -0.30 0.00 -0.52 0.00 0.00 55.73 54.09 2a6s s ARG 58 Cb -0.05 -1.13 -0.05 0.00 0.52 0.00 0.00 34.95 34.24 2a6s s ARG 58 CO 0.00 0.29 1.17 0.50 0.02 0.00 0.00 175.30 177.27 2a6s s ARG 59 N -1.06 4.43 -0.23 3.54 3.52 -0.24 -0.43 118.95 128.48 2a6s s ARG 59 Ca 0.04 1.70 -0.16 0.00 -0.13 0.00 0.00 55.73 57.18 2a6s s ARG 59 Cb -0.08 -3.41 -0.11 0.00 -1.56 0.00 0.00 34.95 29.79 2a6s s ARG 59 CO 0.01 -0.27 -0.27 -0.89 -0.81 0.00 0.00 175.30 173.07 2a6s n ILE 60 N 4.09 1.51 -4.11 4.11 5.41 -0.30 -4.52 119.36 125.56 2a6s n ILE 60 Ca 0.09 -0.15 -0.14 0.00 1.00 0.00 0.00 62.75 63.55 2a6s n ILE 60 Cb 0.47 -2.07 -0.05 0.00 -0.71 0.00 0.00 39.64 37.28 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 0.47 1.39 -4.23 -0.65 -4.98 115.64 105.05 2a6s s THR 61 Ca -0.33 -1.66 0.41 0.00 -1.18 0.00 0.00 61.69 58.93 2a6s s THR 61 Cb 0.10 -2.57 0.42 0.00 1.34 0.00 0.00 72.50 71.79 2a6s s THR 61 CO 0.47 0.00 2.24 1.05 -0.54 0.00 0.00 174.62 177.83 2a6s h GLU 62 N 2.17 0.00 0.00 3.99 9.09 -2.02 -2.79 114.58 125.01 2a6s h GLU 62 Ca -0.28 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.13 2a6s h GLU 62 Cb 1.24 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.34 2a6s h GLU 62 CO 0.39 0.00 -1.43 0.39 0.05 0.00 0.00 179.01 178.42 2a6s n GLU 63 N -3.01 0.88 -4.83 1.06 1.02 -1.26 -5.00 120.64 109.50 2a6s n GLU 63 Ca -0.02 -0.10 -0.25 0.00 -0.02 0.00 0.00 57.16 56.77 2a6s n GLU 63 Cb 0.12 -1.30 -0.15 0.00 -0.02 0.00 0.00 31.44 30.09 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 -2.84 1.59 0.11 -0.32 3.76 -1.05 -3.83 115.29 112.70 2a6s s HIS 64 Ca -0.03 -0.30 0.06 0.00 -0.15 0.00 0.00 55.06 54.63 2a6s s HIS 64 Cb 0.09 -1.02 -0.04 0.00 1.11 0.00 0.00 32.58 32.73 2a6s s HIS 64 CO 0.59 -0.02 -0.14 -0.98 -0.85 0.00 0.00 174.74 173.34 2a6s s ARG 65 N -0.47 0.97 -0.33 1.40 1.70 -0.60 -1.15 118.95 120.48 2a6s s ARG 65 Ca 0.07 -1.17 -0.14 0.00 -0.47 0.00 0.00 55.73 54.02 2a6s s ARG 65 Cb -0.07 -0.88 -0.02 0.00 -0.57 0.00 0.00 34.95 33.41 2a6s s ARG 65 CO -0.01 0.17 0.31 -1.17 -1.08 0.00 0.00 175.30 173.53 2a6s s LEU 66 N -2.28 4.39 -0.20 -1.89 2.96 0.43 -3.50 118.68 118.60 2a6s s LEU 66 Ca 0.06 -0.22 -0.08 0.00 -0.22 0.00 0.00 54.13 53.68 2a6s s LEU 66 Cb -0.06 -2.27 -0.04 0.00 0.50 0.00 0.00 46.19 44.32 2a6s s LEU 66 CO 0.03 -0.27 0.08 -0.69 -1.32 0.00 0.00 176.35 174.18 2a6s s VAL 67 N 1.92 4.85 0.22 1.68 1.01 -0.02 -1.43 120.40 128.63 2a6s s VAL 67 Ca 0.10 -0.01 -0.11 0.00 0.00 0.00 0.00 61.98 61.96 2a6s s VAL 67 Cb -0.17 -3.20 -0.01 0.00 0.00 0.00 0.00 36.38 33.00 2a6s s VAL 67 CO 0.11 0.43 0.40 -0.72 0.00 0.00 0.00 175.10 175.32 2a6s s TYR 68 N 0.58 0.46 0.06 5.22 -0.85 0.02 -0.31 117.35 122.53 2a6s s TYR 68 Ca 0.04 -0.80 0.02 0.00 -0.52 0.00 0.00 57.07 55.82 2a6s s TYR 68 Cb -0.13 0.05 -0.03 0.00 0.38 0.00 0.00 41.96 42.23 2a6s s TYR 68 CO 0.01 -0.89 -0.08 0.00 -1.52 0.00 0.00 175.55 173.07 2a6s s ALA 69 N -4.02 0.74 -0.05 9.51 0.00 -0.10 -0.13 121.76 127.71 2a6s s ALA 69 Ca 0.23 -0.96 0.04 0.00 0.00 0.00 0.00 51.96 51.27 2a6s s ALA 69 Cb 0.01 0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.20 2a6s s ALA 69 CO 0.07 -0.07 -0.16 0.08 0.00 0.00 0.00 175.76 175.69 2a6s s VAL 70 N -2.03 1.35 0.19 0.00 1.01 -1.26 -0.71 120.40 118.94 2a6s s VAL 70 Ca -0.03 -0.65 0.01 0.00 0.00 0.00 0.00 61.98 61.31 2a6s s VAL 70 Cb -0.06 -1.18 0.01 0.00 0.00 0.00 0.00 36.38 35.15 2a6s s VAL 70 CO -0.01 0.40 0.07 0.35 0.00 0.00 0.00 175.10 175.90 2a6s n THR 71 N 3.39 0.00 -0.16 3.92 -2.24 -0.31 -4.99 114.28 113.89 2a6s n THR 71 Ca -0.20 -0.83 0.15 0.00 -2.27 0.00 0.00 64.05 60.90 2a6s n THR 71 Cb 0.53 -0.06 0.50 0.00 -2.10 0.00 0.00 70.33 69.20 2a6s n THR 71 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 2a6s h ASP 72 N 0.35 0.40 0.00 3.42 1.82 -2.04 -3.27 116.42 117.10 2a6s h ASP 72 Ca -0.14 0.02 -0.16 0.00 -0.39 0.00 0.00 57.03 56.36 2a6s h ASP 72 Cb 0.46 -0.06 -0.30 0.00 0.68 0.00 0.00 39.33 40.11 2a6s h ASP 72 CO 0.23 0.21 -0.81 -0.67 -1.61 0.00 0.00 179.24 176.58 2a6s n ASP 73 N -4.48 0.43 -3.67 2.28 2.03 -1.26 -5.07 116.55 106.81 2a6s n ASP 73 Ca 0.14 -1.99 -0.13 0.00 0.52 0.00 0.00 54.79 53.33 2a6s n ASP 73 Cb 0.52 -0.13 -0.07 0.00 -0.72 0.00 0.00 41.12 40.72 2a6s n ASP 73 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2a6s s SER 74 N -1.68 -0.30 -0.24 1.67 1.04 -1.23 -1.79 113.70 111.17 2a6s s SER 74 Ca 0.24 0.08 -0.01 0.00 0.48 0.00 0.00 55.95 56.73 2a6s s SER 74 Cb 0.27 0.41 0.02 0.00 0.10 0.00 0.00 66.02 66.83 2a6s s SER 74 CO -0.12 -0.62 -0.07 -0.22 0.98 0.00 0.00 173.24 173.19 2a6s s LEU 75 N -1.80 3.08 -0.27 2.42 2.96 0.85 -1.16 118.68 124.76 2a6s s LEU 75 Ca -0.07 -0.83 -0.10 0.00 -0.22 0.00 0.00 54.13 52.90 2a6s s LEU 75 Cb -0.02 -1.65 -0.05 0.00 0.50 0.00 0.00 46.19 44.98 2a6s s LEU 75 CO 0.00 -0.11 0.17 -0.76 -1.32 0.00 0.00 176.35 174.33 2a6s s LEU 76 N 1.33 3.97 -0.30 -0.68 1.02 0.11 -0.49 118.68 123.64 2a6s s LEU 76 Ca 0.01 -0.00 -0.15 0.00 0.02 0.00 0.00 54.13 54.00 2a6s s LEU 76 Cb -0.16 -2.09 -0.03 0.00 0.02 0.00 0.00 46.19 43.93 2a6s s LEU 76 CO -0.05 -0.02 0.37 -0.63 0.02 0.00 0.00 176.35 176.04 2a6s s ILE 77 N 1.56 5.17 -0.05 -0.59 -1.09 0.64 -0.92 121.20 125.92 2a6s s ILE 77 Ca 0.07 0.36 0.11 0.00 -2.23 0.00 0.00 60.65 58.96 2a6s s ILE 77 Cb -0.15 -3.75 -0.23 0.00 -1.58 0.00 0.00 42.46 36.75 2a6s s ILE 77 CO 0.09 0.06 0.65 0.00 -1.23 0.00 0.00 174.94 174.50 2a6s n ALA 78 N 5.36 1.44 -3.56 9.38 0.00 0.58 -3.67 120.51 130.06 2a6s n ALA 78 Ca -0.09 -0.74 -0.07 0.00 0.00 0.00 0.00 53.44 52.54 2a6s n ALA 78 Cb 0.50 -0.85 -0.03 0.00 0.00 0.00 0.00 19.45 19.07 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 -2.60 -1.94 -0.23 0.00 0.00 -1.12 -4.05 121.76 111.82 2a6s s ALA 79 Ca -0.06 1.37 0.18 0.00 0.00 0.00 0.00 51.96 53.46 2a6s s ALA 79 Cb 0.08 -0.12 0.43 0.00 0.00 0.00 0.00 23.12 23.50 2a6s s ALA 79 CO 0.82 -0.54 1.25 0.00 0.00 0.00 0.00 175.76 177.28 2a6s s ARG 81 N -1.81 0.57 2.61 0.00 3.52 -1.23 -4.77 118.95 117.85 2a6s s ARG 81 Ca 0.20 0.45 0.00 0.00 -0.13 0.00 0.00 55.73 56.25 2a6s s ARG 81 Cb 0.34 0.27 0.00 0.00 -1.56 0.00 0.00 34.95 34.01 2a6s s ARG 81 CO -0.08 -0.10 0.00 0.66 -0.81 0.00 0.00 175.30 174.97 2a6s n TYR 82 N 2.45 -1.28 -1.48 5.12 4.01 -1.25 -4.06 117.16 120.67 2a6s n TYR 82 Ca -0.15 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.58 2a6s n TYR 82 Cb 0.57 0.22 0.20 0.00 -0.31 0.00 0.00 39.34 40.02 2a6s n TYR 82 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 2a6s n HIS 83 N -0.64 0.81 -1.30 -0.72 8.25 -1.26 -1.55 115.22 118.81 2a6s n HIS 83 Ca 0.00 -1.56 0.00 0.00 -0.26 0.00 0.00 57.72 55.90 2a6s n HIS 83 Cb 0.00 -0.43 0.00 0.00 1.12 0.00 0.00 29.99 30.68 2a6s n HIS 83 CO 0.00 0.00 0.00 2.48 0.64 0.00 0.00 176.34 179.46