#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 3.20 -0.17 2.12 1.02 -0.36 -4.86 119.74 120.69 2a6s s LYS 2 Ca 0.00 0.79 0.01 0.00 0.02 0.00 0.00 55.97 56.79 2a6s s LYS 2 Cb 0.00 -2.03 0.02 0.00 -0.52 0.00 0.00 37.83 35.30 2a6s s LYS 2 CO 0.00 -0.87 -0.16 -1.17 -0.92 0.00 0.00 175.35 172.23 2a6s s LEU 3 N -5.37 2.01 -0.12 3.17 2.96 -1.26 -0.23 118.68 119.84 2a6s s LEU 3 Ca 0.57 -0.63 0.03 0.00 -0.22 0.00 0.00 54.13 53.87 2a6s s LEU 3 Cb -0.12 -1.33 -0.00 0.00 0.50 0.00 0.00 46.19 45.23 2a6s s LEU 3 CO 0.54 -0.04 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.69 2a6s s ILE 4 N 1.38 2.32 0.11 6.68 1.01 0.19 -4.95 121.20 127.92 2a6s s ILE 4 Ca 0.04 -0.92 0.08 0.00 0.00 0.00 0.00 60.65 59.85 2a6s s ILE 4 Cb -0.13 -1.92 -0.04 0.00 0.01 0.00 0.00 42.46 40.38 2a6s s ILE 4 CO -0.11 0.55 -0.16 0.26 0.00 0.00 0.00 174.94 175.48 2a6s s TRP 5 N 0.47 2.60 0.57 3.97 0.52 -1.26 -0.46 118.94 125.35 2a6s s TRP 5 Ca -0.14 -0.23 -0.00 0.00 0.02 0.00 0.00 56.10 55.75 2a6s s TRP 5 Cb -0.17 -1.38 0.04 0.00 -1.15 0.00 0.00 33.47 30.80 2a6s s TRP 5 CO 0.06 0.39 0.81 -1.54 0.02 0.00 0.00 176.95 176.68 2a6s s SER 6 N -2.09 5.22 0.32 2.95 1.04 -1.24 -4.88 113.70 115.02 2a6s s SER 6 Ca 0.19 0.08 0.01 0.00 0.48 0.00 0.00 55.95 56.70 2a6s s SER 6 Cb -0.11 -0.94 0.55 0.00 0.10 0.00 0.00 66.02 65.63 2a6s s SER 6 CO 0.11 -1.20 1.94 -0.33 0.98 0.00 0.00 173.24 174.74 2a6s h GLU 7 N -0.03 0.82 -0.29 4.02 5.08 -1.98 -1.49 114.58 120.70 2a6s h GLU 7 Ca -0.43 -0.09 -0.12 0.00 -1.00 0.00 0.00 59.36 57.72 2a6s h GLU 7 Cb 1.30 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 30.38 2a6s h GLU 7 CO 0.54 0.62 -0.28 0.93 -1.00 0.00 0.00 179.01 179.82 2a6s h GLU 8 N 0.82 0.71 0.00 2.33 3.07 -1.93 -2.10 114.58 117.48 2a6s h GLU 8 Ca 0.21 -0.37 -0.14 0.00 -0.50 0.00 0.00 59.36 58.56 2a6s h GLU 8 Cb 0.06 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 27.96 2a6s h GLU 8 CO -0.03 0.98 -0.67 0.66 -1.40 0.00 0.00 179.01 178.56 2a6s h SER 9 N 0.45 0.00 -0.24 1.42 4.64 -1.70 -1.83 113.55 116.30 2a6s h SER 9 Ca 0.05 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.22 2a6s h SER 9 Cb 0.85 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.93 2a6s h SER 9 CO 0.07 0.67 -0.37 -0.25 -0.87 0.00 0.00 176.83 176.08 2a6s h TRP 10 N 0.00 0.92 -0.76 4.77 2.91 -1.28 -1.74 115.95 120.77 2a6s h TRP 10 Ca -0.01 -0.26 -0.01 0.00 1.13 0.00 0.00 58.89 59.74 2a6s h TRP 10 Cb 1.27 -0.20 -0.04 0.00 -0.51 0.00 0.00 29.16 29.69 2a6s h TRP 10 CO 0.00 1.02 0.44 0.22 -1.03 0.00 0.00 178.44 179.09 2a6s h ASP 11 N 0.64 0.93 -0.48 2.65 1.82 -1.13 0.08 116.42 120.92 2a6s h ASP 11 Ca 0.06 -0.08 0.04 0.00 -0.39 0.00 0.00 57.03 56.66 2a6s h ASP 11 Cb 0.92 -0.24 -0.04 0.00 0.68 0.00 0.00 39.33 40.65 2a6s h ASP 11 CO 0.08 0.74 0.24 0.44 -1.61 0.00 0.00 179.24 179.13 2a6s h ASP 12 N 1.04 0.34 -0.54 2.28 3.32 -0.96 -0.37 116.42 121.53 2a6s h ASP 12 Ca 0.27 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.33 2a6s h ASP 12 Cb -0.00 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 2a6s h ASP 12 CO -0.05 0.24 0.27 0.22 -1.72 0.00 0.00 179.24 178.20 2a6s h TYR 13 N 0.47 0.77 -0.41 4.55 3.20 -0.61 -2.17 116.97 122.77 2a6s h TYR 13 Ca 0.21 -0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.99 2a6s h TYR 13 Cb 0.12 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.13 2a6s h TYR 13 CO -0.11 0.59 0.01 -0.07 -1.64 0.00 0.00 178.16 176.94 2a6s h LEU 14 N 0.73 0.62 -0.47 2.82 3.38 -0.57 -1.47 115.31 120.35 2a6s h LEU 14 Ca 0.19 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 58.04 2a6s h LEU 14 Cb 0.10 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 2a6s h LEU 14 CO -0.03 0.69 0.31 0.22 0.09 0.00 0.00 178.44 179.72 2a6s h TYR 15 N 0.63 0.58 -0.37 1.13 3.20 -0.60 -2.08 116.97 119.46 2a6s h TYR 15 Ca 0.13 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.95 2a6s h TYR 15 Cb 0.38 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.44 2a6s h TYR 15 CO 0.02 0.35 -0.04 -1.49 -1.64 0.00 0.00 178.16 175.36 2a6s h TRP 16 N 0.62 0.65 -0.17 -3.82 -0.00 -0.84 -1.26 115.95 111.12 2a6s h TRP 16 Ca 0.18 -0.09 -0.03 0.00 -0.00 0.00 0.00 58.89 58.96 2a6s h TRP 16 Cb -0.05 -0.18 -0.01 0.00 -0.00 0.00 0.00 29.16 28.92 2a6s h TRP 16 CO -0.05 0.65 -0.01 1.96 -0.00 0.00 0.00 178.44 180.99 2a6s h GLN 17 N 0.58 0.24 -0.29 0.49 4.20 -0.62 0.16 115.11 119.87 2a6s h GLN 17 Ca 0.11 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.79 2a6s h GLN 17 Cb 0.43 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.17 2a6s h GLN 17 CO 0.02 0.28 0.00 -0.85 -0.67 0.00 0.00 178.83 177.61 2a6s n GLU 18 N -4.38 2.40 -0.01 1.46 0.28 -0.90 -4.59 120.64 114.89 2a6s n GLU 18 Ca -0.00 -2.10 -0.03 0.00 -0.16 0.00 0.00 57.16 54.87 2a6s n GLU 18 Cb 0.18 -1.49 -0.01 0.00 1.43 0.00 0.00 31.44 31.54 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 1.35 0.15 -3.26 3.84 -1.04 -0.53 -5.05 114.28 109.75 2a6s n THR 19 Ca 0.18 -0.04 -0.04 0.00 -2.04 0.00 0.00 64.05 62.11 2a6s n THR 19 Cb 0.58 -1.37 -0.04 0.00 -1.82 0.00 0.00 70.33 67.67 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 -5.07 -0.40 0.58 8.00 -1.08 0.49 -5.01 116.67 114.17 2a6s s ASP 20 Ca -0.04 0.20 0.28 0.00 -0.52 0.00 0.00 52.55 52.47 2a6s s ASP 20 Cb 0.01 1.51 1.75 0.00 -1.46 0.00 0.00 42.92 44.73 2a6s s ASP 20 CO 0.05 -0.31 2.24 0.07 0.52 0.00 0.00 175.17 177.74 2a6s h LYS 21 N 8.10 0.00 -0.36 4.34 2.10 -1.85 -1.24 116.57 127.66 2a6s h LYS 21 Ca -0.14 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.42 2a6s h LYS 21 Cb 1.15 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.47 2a6s h LYS 21 CO 0.25 0.00 -0.14 0.00 -2.00 0.00 0.00 179.45 177.56 2a6s h ARG 22 N 0.00 0.65 -0.10 0.07 3.08 -1.95 -1.50 114.38 114.63 2a6s h ARG 22 Ca -0.00 -0.21 -0.19 0.00 0.07 0.00 0.00 59.98 59.65 2a6s h ARG 22 Cb 0.01 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.00 2a6s h ARG 22 CO 0.00 0.77 -0.73 0.82 -1.07 0.00 0.00 179.97 179.75 2a6s h ILE 23 N 0.59 1.36 -0.41 2.04 1.08 -1.58 -1.98 117.51 118.60 2a6s h ILE 23 Ca 0.10 -2.09 -0.01 0.00 -0.39 0.00 0.00 64.86 62.46 2a6s h ILE 23 Cb 0.58 2.07 -0.02 0.00 -3.07 0.00 0.00 36.82 36.38 2a6s h ILE 23 CO 0.04 0.64 0.20 0.58 -0.69 0.00 0.00 178.15 178.92 2a6s h VAL 24 N 0.34 1.17 -0.86 1.67 2.07 -1.20 -0.30 116.25 119.14 2a6s h VAL 24 Ca -0.03 -0.47 -0.02 0.00 0.82 0.00 0.00 66.70 67.00 2a6s h VAL 24 Cb 1.32 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 31.78 2a6s h VAL 24 CO 0.13 0.18 0.45 0.11 0.02 0.00 0.00 177.57 178.46 2a6s h LYS 25 N 0.52 1.22 -0.39 1.57 1.57 -1.21 -0.27 116.57 119.58 2a6s h LYS 25 Ca 0.14 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 2a6s h LYS 25 Cb 0.10 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 2a6s h LYS 25 CO -0.02 0.91 0.19 -0.22 -0.57 0.00 0.00 179.45 179.73 2a6s h LYS 26 N 1.22 0.56 -0.65 3.15 1.63 -0.92 -0.67 116.57 120.88 2a6s h LYS 26 Ca 0.30 -0.08 -0.02 0.00 -0.85 0.00 0.00 60.65 60.00 2a6s h LYS 26 Cb 0.06 -0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 31.56 2a6s h LYS 26 CO -0.04 0.50 0.33 0.82 -3.45 0.00 0.00 179.45 177.60 2a6s h ILE 27 N 0.49 1.21 -0.82 2.00 2.04 -0.59 -0.04 117.51 121.80 2a6s h ILE 27 Ca 0.13 -0.58 -0.03 0.00 1.00 0.00 0.00 64.86 65.39 2a6s h ILE 27 Cb 0.12 0.41 -0.04 0.00 -0.74 0.00 0.00 36.82 36.57 2a6s h ILE 27 CO -0.02 0.24 0.39 0.78 0.00 0.00 0.00 178.15 179.55 2a6s h ASN 28 N 0.89 1.07 -0.59 1.72 2.35 -0.78 -0.26 115.58 119.97 2a6s h ASN 28 Ca 0.23 -0.13 -0.03 0.00 -0.55 0.00 0.00 56.30 55.82 2a6s h ASN 28 Cb 0.09 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.16 2a6s h ASN 28 CO -0.03 0.90 0.24 -0.08 -1.65 0.00 0.00 177.43 176.80 2a6s h GLU 29 N 1.17 0.89 -0.36 0.81 4.81 -0.49 -0.72 114.58 120.70 2a6s h GLU 29 Ca 0.28 -0.16 -0.11 0.00 -0.13 0.00 0.00 59.36 59.24 2a6s h GLU 29 Cb 0.11 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 2a6s h GLU 29 CO -0.04 0.76 -0.23 -0.07 -0.73 0.00 0.00 179.01 178.70 2a6s h LEU 30 N 0.82 0.71 -0.40 1.64 3.38 -0.60 -0.94 115.31 119.92 2a6s h LEU 30 Ca 0.20 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 2a6s h LEU 30 Cb 0.20 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 2a6s h LEU 30 CO -0.02 0.93 0.10 0.40 0.09 0.00 0.00 178.44 179.94 2a6s h ILE 31 N 0.61 1.23 -0.63 1.22 2.04 -0.71 0.17 117.51 121.45 2a6s h ILE 31 Ca 0.09 -0.78 -0.02 0.00 1.00 0.00 0.00 64.86 65.15 2a6s h ILE 31 Cb 0.72 0.98 -0.03 0.00 -0.74 0.00 0.00 36.82 37.75 2a6s h ILE 31 CO 0.06 0.27 0.33 0.50 0.00 0.00 0.00 178.15 179.30 2a6s h LYS 32 N 0.50 0.90 -0.38 2.37 3.64 -0.93 -0.78 116.57 121.89 2a6s h LYS 32 Ca 0.12 -0.12 -0.12 0.00 -1.27 0.00 0.00 60.65 59.27 2a6s h LYS 32 Cb 0.31 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 2a6s h LYS 32 CO 0.00 0.70 -0.24 0.22 -2.27 0.00 0.00 179.45 177.85 2a6s h ASP 33 N 0.87 0.78 -0.02 4.20 3.58 -0.95 -2.81 116.42 122.06 2a6s h ASP 33 Ca 0.22 -0.29 -0.14 0.00 0.42 0.00 0.00 57.03 57.24 2a6s h ASP 33 Cb 0.08 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 40.90 2a6s h ASP 33 CO -0.03 0.99 -0.46 0.74 -2.88 0.00 0.00 179.24 177.60 2a6s h THR 34 N 0.66 1.31 -0.35 2.25 2.02 -0.33 -1.24 112.91 117.23 2a6s h THR 34 Ca 0.09 -1.66 -0.06 0.00 0.77 0.00 0.00 66.41 65.55 2a6s h THR 34 Cb 0.75 1.63 -0.02 0.00 -1.74 0.00 0.00 68.15 68.78 2a6s h THR 34 CO 0.06 0.52 -0.04 0.03 0.37 0.00 0.00 175.52 176.46 2a6s h ARG 35 N 0.46 0.56 0.06 6.66 3.08 -1.05 0.70 114.38 124.84 2a6s h ARG 35 Ca 0.03 -0.14 -0.00 0.00 0.07 0.00 0.00 59.98 59.94 2a6s h ARG 35 Cb 0.98 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.95 2a6s h ARG 35 CO 0.09 0.62 -0.03 -0.09 -1.07 0.00 0.00 179.97 179.49 2a6s h ARG 36 N 0.53 -0.07 -2.58 0.04 2.43 -1.24 -3.41 114.38 110.08 2a6s h ARG 36 Ca 0.11 0.00 -0.59 0.00 -0.81 0.00 0.00 59.98 58.69 2a6s h ARG 36 Cb 0.40 0.02 -0.39 0.00 -0.42 0.00 0.00 29.97 29.58 2a6s h ARG 36 CO 0.02 0.51 -0.87 0.95 -1.51 0.00 0.00 179.97 179.06 2a6s s THR 37 N -3.49 0.56 0.28 0.20 -4.23 -0.49 -5.03 115.64 103.44 2a6s s THR 37 Ca -0.15 -2.36 0.01 0.00 -1.18 0.00 0.00 61.69 58.01 2a6s s THR 37 Cb 0.00 -1.40 0.31 0.00 1.34 0.00 0.00 72.50 72.75 2a6s s THR 37 CO 0.60 -1.08 1.64 -0.65 -0.54 0.00 0.00 174.62 174.60 2a6s h PRO 38 N 6.32 0.18 -1.96 3.99 0.11 -1.07 -3.05 132.00 136.53 2a6s h PRO 38 Ca 0.14 -0.01 -0.65 0.00 0.11 0.00 0.00 66.00 65.59 2a6s h PRO 38 Cb 0.93 -0.04 -0.38 0.00 0.11 0.00 0.00 31.00 31.62 2a6s h PRO 38 CO 0.36 0.12 -0.18 1.19 -0.21 0.00 0.00 178.00 179.28 2a6s n PHE 39 N -5.25 3.49 0.00 0.65 3.01 -1.26 -4.91 117.46 113.18 2a6s n PHE 39 Ca 0.21 -3.23 0.00 0.00 1.01 0.00 0.00 57.45 55.44 2a6s n PHE 39 Cb 0.67 -0.54 0.00 0.00 -0.01 0.00 0.00 39.48 39.60 2a6s n PHE 39 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 2a6s n GLU 40 N -0.35 0.00 0.00 -1.08 4.07 -1.15 -5.04 120.64 117.09 2a6s n GLU 40 Ca 0.40 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.50 2a6s n GLU 40 Cb 0.45 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.83 2a6s n GLU 40 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2a6s n GLY 41 N -0.36 0.28 3.76 8.31 0.00 -1.26 -4.68 105.19 111.23 2a6s n GLY 41 Ca 0.00 -1.85 -0.34 0.00 0.00 0.00 0.00 46.02 43.82 2a6s n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2a6s s LYS 42 N -0.50 2.80 -0.02 1.61 1.02 -1.26 -3.79 119.74 119.59 2a6s s LYS 42 Ca 0.00 1.62 0.00 0.00 0.02 0.00 0.00 55.97 57.61 2a6s s LYS 42 Cb 0.00 -1.93 0.00 0.00 -0.52 0.00 0.00 37.83 35.38 2a6s s LYS 42 CO 0.00 -1.29 0.00 0.41 -0.92 0.00 0.00 175.35 173.55 2a6s n GLY 43 N 0.07 0.47 3.34 -3.33 0.00 -1.26 -4.13 105.19 100.35 2a6s n GLY 43 Ca 0.12 -0.24 -0.11 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.86 -1.43 -1.83 1.61 4.81 -1.25 0.11 118.16 117.32 2a6s n LYS 44 Ca -0.00 1.13 -0.42 0.00 -0.87 0.00 0.00 58.31 58.15 2a6s n LYS 44 Cb 0.02 -4.68 -0.03 0.00 0.02 0.00 0.00 35.03 30.37 2a6s n LYS 44 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2a6s s PRO 45 N -3.97 4.08 0.03 1.64 0.04 -1.25 -4.58 135.00 130.98 2a6s s PRO 45 Ca 0.09 2.34 0.01 0.00 0.04 0.00 0.00 61.00 63.49 2a6s s PRO 45 Cb -0.03 -4.09 -0.02 0.00 0.04 0.00 0.00 34.50 30.40 2a6s s PRO 45 CO 0.80 -1.00 -0.05 -1.83 0.04 0.00 0.00 177.00 174.96 2a6s s GLU 46 N 4.41 0.40 0.27 4.56 -1.05 -0.66 -4.81 118.70 121.82 2a6s s GLU 46 Ca 0.82 -0.65 -0.30 0.00 -0.15 0.00 0.00 54.97 54.69 2a6s s GLU 46 Cb -0.37 -0.07 -0.11 0.00 -0.44 0.00 0.00 34.13 33.14 2a6s s GLU 46 CO 0.35 -0.00 1.51 -2.14 0.95 0.00 0.00 175.26 175.93 2a6s s PRO 47 N -1.46 4.20 -0.00 -4.83 0.02 -1.26 -1.13 135.00 130.54 2a6s s PRO 47 Ca -0.13 2.43 -0.13 0.00 0.02 0.00 0.00 61.00 63.18 2a6s s PRO 47 Cb -0.10 -3.07 -0.06 0.00 0.02 0.00 0.00 34.50 31.30 2a6s s PRO 47 CO -0.00 -0.52 0.38 -1.17 -0.33 0.00 0.00 177.00 175.36 2a6s s LEU 48 N -0.43 4.45 0.03 -5.54 2.96 0.11 -4.85 118.68 115.42 2a6s s LEU 48 Ca 0.61 0.90 -0.25 0.00 -0.22 0.00 0.00 54.13 55.18 2a6s s LEU 48 Cb -0.45 -2.59 0.06 0.00 0.50 0.00 0.00 46.19 43.71 2a6s s LEU 48 CO 0.45 0.32 0.57 -0.75 -1.32 0.00 0.00 176.35 175.61 2a6s s LYS 49 N -1.17 1.06 0.00 1.98 2.47 -1.26 -4.57 119.74 118.25 2a6s s LYS 49 Ca 0.24 -0.13 0.00 0.00 -1.56 0.00 0.00 55.97 54.52 2a6s s LYS 49 Cb -0.16 0.49 0.00 0.00 -1.46 0.00 0.00 37.83 36.70 2a6s s LYS 49 CO 0.13 -0.38 0.00 0.72 0.16 0.00 0.00 175.35 175.98 2a6s n HIS 50 N 0.47 0.00 0.00 4.03 8.25 -1.26 -4.96 115.22 121.76 2a6s n HIS 50 Ca -0.18 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.28 2a6s n HIS 50 Cb 0.60 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.71 2a6s n HIS 50 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2a6s n ASN 51 N 0.00 0.00 -3.41 0.41 3.02 -1.26 -5.04 115.26 108.98 2a6s n ASN 51 Ca 0.00 0.00 -0.20 0.00 -0.03 0.00 0.00 54.58 54.35 2a6s n ASN 51 Cb 0.00 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.12 2a6s n ASN 51 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2a6s n LEU 52 N 0.00 -0.51 -4.76 3.41 4.77 -1.26 -4.82 117.00 113.82 2a6s n LEU 52 Ca 0.00 -0.71 -0.39 0.00 -0.03 0.00 0.00 56.01 54.88 2a6s n LEU 52 Cb 0.00 -0.89 0.01 0.00 -2.33 0.00 0.00 43.42 40.21 2a6s n LEU 52 CO 0.00 0.19 0.97 -0.94 -1.33 0.00 0.00 177.39 176.28 2a6s s SER 53 N -3.24 6.04 0.00 -1.43 1.04 -1.26 -1.92 113.70 112.93 2a6s s SER 53 Ca 0.17 2.68 0.00 0.00 0.48 0.00 0.00 55.95 59.28 2a6s s SER 53 Cb -0.10 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.39 2a6s s SER 53 CO 0.57 -1.04 0.00 0.61 0.98 0.00 0.00 173.24 174.35 2a6s n GLY 54 N 0.63 1.38 3.79 7.32 0.00 -1.26 -5.03 105.19 112.02 2a6s n GLY 54 Ca 0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.24 3.16 0.20 1.61 0.40 -0.81 -4.44 117.98 114.87 2a6s s PHE 55 Ca 0.00 0.02 0.03 0.00 -0.60 0.00 0.00 56.93 56.38 2a6s s PHE 55 Cb 0.00 -1.55 -0.05 0.00 0.51 0.00 0.00 43.02 41.93 2a6s s PHE 55 CO 0.00 0.52 -0.00 -1.58 0.70 0.00 0.00 175.22 174.86 2a6s s TRP 56 N -1.60 1.41 0.04 0.36 0.52 0.72 -0.71 118.94 119.67 2a6s s TRP 56 Ca 0.30 -0.96 -0.00 0.00 0.02 0.00 0.00 56.10 55.46 2a6s s TRP 56 Cb -0.11 -0.80 -0.03 0.00 -1.15 0.00 0.00 33.47 31.38 2a6s s TRP 56 CO 0.23 -0.11 -0.03 -1.54 0.02 0.00 0.00 176.95 175.51 2a6s s SER 57 N -3.25 0.40 0.03 2.95 1.04 -0.28 -0.86 113.70 113.73 2a6s s SER 57 Ca 0.26 -0.76 0.02 0.00 0.48 0.00 0.00 55.95 55.96 2a6s s SER 57 Cb 0.06 0.15 -0.02 0.00 0.10 0.00 0.00 66.02 66.30 2a6s s SER 57 CO 0.07 -0.45 -0.07 -0.13 0.98 0.00 0.00 173.24 173.64 2a6s s ARG 58 N -2.71 0.50 -0.06 4.02 0.52 -0.46 -1.65 118.95 119.10 2a6s s ARG 58 Ca -0.04 -0.66 -0.30 0.00 -0.52 0.00 0.00 55.73 54.21 2a6s s ARG 58 Cb -0.01 -0.30 -0.03 0.00 0.52 0.00 0.00 34.95 35.13 2a6s s ARG 58 CO -0.05 0.06 1.20 0.50 0.02 0.00 0.00 175.30 177.02 2a6s s ARG 59 N -1.34 4.35 -0.23 3.54 3.52 0.31 -0.47 118.95 128.63 2a6s s ARG 59 Ca -0.08 1.67 -0.14 0.00 -0.13 0.00 0.00 55.73 57.04 2a6s s ARG 59 Cb -0.09 -3.56 -0.17 0.00 -1.56 0.00 0.00 34.95 29.57 2a6s s ARG 59 CO 0.00 -0.45 -0.02 -0.89 -0.81 0.00 0.00 175.30 173.13 2a6s n ILE 60 N 4.63 1.56 -4.00 4.11 5.41 -0.24 -4.49 119.36 126.34 2a6s n ILE 60 Ca 0.11 -0.31 -0.13 0.00 1.00 0.00 0.00 62.75 63.42 2a6s n ILE 60 Cb 0.46 -1.87 -0.02 0.00 -0.71 0.00 0.00 39.64 37.51 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 -2.46 0.00 -0.42 1.39 -4.23 -0.60 -4.98 115.64 104.35 2a6s s THR 61 Ca -0.32 -1.40 0.25 0.00 -1.18 0.00 0.00 61.69 59.03 2a6s s THR 61 Cb 0.10 -2.78 0.26 0.00 1.34 0.00 0.00 72.50 71.42 2a6s s THR 61 CO 0.58 0.00 1.74 -0.33 -0.54 0.00 0.00 174.62 176.07 2a6s h GLU 62 N 2.05 0.00 0.00 3.99 4.39 -2.01 -3.07 114.58 119.93 2a6s h GLU 62 Ca -0.30 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.40 2a6s h GLU 62 Cb 1.24 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.89 2a6s h GLU 62 CO 0.40 0.00 -0.82 0.39 -1.16 0.00 0.00 179.01 177.82 2a6s n GLU 63 N -2.32 2.35 -4.26 2.33 1.02 -1.26 -4.98 120.64 113.51 2a6s n GLU 63 Ca 0.02 -0.03 -0.19 0.00 -0.02 0.00 0.00 57.16 56.94 2a6s n GLU 63 Cb 0.23 -1.13 -0.15 0.00 -0.02 0.00 0.00 31.44 30.37 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 -2.32 0.76 0.12 -0.32 3.76 -1.16 -3.62 115.29 112.50 2a6s s HIS 64 Ca 0.02 -0.18 0.06 0.00 -0.15 0.00 0.00 55.06 54.82 2a6s s HIS 64 Cb 0.09 -0.57 -0.04 0.00 1.11 0.00 0.00 32.58 33.17 2a6s s HIS 64 CO 0.51 -0.10 -0.16 1.03 -0.85 0.00 0.00 174.74 175.17 2a6s s ARG 65 N 0.33 1.05 -0.38 1.40 0.52 -0.66 -1.08 118.95 120.13 2a6s s ARG 65 Ca -0.05 -1.21 -0.17 0.00 -0.52 0.00 0.00 55.73 53.78 2a6s s ARG 65 Cb -0.09 -1.02 0.00 0.00 0.52 0.00 0.00 34.95 34.37 2a6s s ARG 65 CO 0.00 0.21 0.43 -1.17 0.02 0.00 0.00 175.30 174.79 2a6s s LEU 66 N -2.31 4.61 -0.21 2.53 2.96 0.38 -3.56 118.68 123.07 2a6s s LEU 66 Ca 0.08 -0.39 -0.09 0.00 -0.22 0.00 0.00 54.13 53.51 2a6s s LEU 66 Cb -0.06 -2.41 -0.04 0.00 0.50 0.00 0.00 46.19 44.17 2a6s s LEU 66 CO 0.04 -0.48 0.10 -0.69 -1.32 0.00 0.00 176.35 174.00 2a6s s VAL 67 N 2.15 4.95 0.19 1.68 1.01 -0.39 -1.36 120.40 128.63 2a6s s VAL 67 Ca 0.13 0.03 -0.11 0.00 0.00 0.00 0.00 61.98 62.03 2a6s s VAL 67 Cb -0.16 -3.27 -0.00 0.00 0.00 0.00 0.00 36.38 32.94 2a6s s VAL 67 CO 0.13 0.41 0.36 -0.72 0.00 0.00 0.00 175.10 175.28 2a6s s TYR 68 N 0.73 0.32 0.12 5.22 -0.85 -0.04 -0.26 117.35 122.59 2a6s s TYR 68 Ca 0.05 -0.67 -0.01 0.00 -0.52 0.00 0.00 57.07 55.92 2a6s s TYR 68 Cb -0.13 0.06 -0.04 0.00 0.38 0.00 0.00 41.96 42.23 2a6s s TYR 68 CO 0.02 -0.81 0.04 0.00 -1.52 0.00 0.00 175.55 173.28 2a6s s ALA 69 N -3.97 0.85 -0.04 9.51 0.00 -0.26 -0.20 121.76 127.64 2a6s s ALA 69 Ca 0.17 -1.44 0.03 0.00 0.00 0.00 0.00 51.96 50.72 2a6s s ALA 69 Cb 0.02 0.77 0.01 0.00 0.00 0.00 0.00 23.12 23.91 2a6s s ALA 69 CO 0.02 -0.46 -0.12 0.08 0.00 0.00 0.00 175.76 175.27 2a6s s VAL 70 N -4.01 1.08 -0.14 0.00 1.01 -1.26 -0.55 120.40 116.53 2a6s s VAL 70 Ca 0.22 -0.49 -0.30 0.00 0.00 0.00 0.00 61.98 61.40 2a6s s VAL 70 Cb 0.07 -0.96 0.11 0.00 0.00 0.00 0.00 36.38 35.61 2a6s s VAL 70 CO 0.00 0.33 0.93 0.28 0.00 0.00 0.00 175.10 176.64 2a6s s THR 71 N 0.32 0.00 -1.44 3.92 -1.32 -0.70 -4.97 115.64 111.46 2a6s s THR 71 Ca -0.07 0.00 -0.00 0.00 -1.21 0.00 0.00 61.69 60.40 2a6s s THR 71 Cb -0.12 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.87 2a6s s THR 71 CO 0.02 0.00 0.31 -0.67 -2.21 0.00 0.00 174.62 172.07 2a6s n ASP 72 N 0.81 -0.03 -4.03 8.08 2.03 -1.26 -0.42 116.55 121.73 2a6s n ASP 72 Ca -0.12 -1.08 -0.33 0.00 0.52 0.00 0.00 54.79 53.79 2a6s n ASP 72 Cb 0.58 -2.69 0.01 0.00 -0.72 0.00 0.00 41.12 38.30 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 -2.96 -4.35 -3.92 1.67 4.64 -1.26 -4.87 116.55 105.50 2a6s n ASP 73 Ca -0.31 -0.86 -0.12 0.00 -1.38 0.00 0.00 54.79 52.12 2a6s n ASP 73 Cb 0.69 -3.49 -0.13 0.00 -1.04 0.00 0.00 41.12 37.14 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 -3.29 0.20 -0.35 1.67 0.01 0.44 -1.22 113.70 111.16 2a6s s SER 74 Ca 0.70 -0.16 -0.13 0.00 1.31 0.00 0.00 55.95 57.68 2a6s s SER 74 Cb -0.36 0.01 -0.01 0.00 0.21 0.00 0.00 66.02 65.87 2a6s s SER 74 CO 0.86 -0.07 0.24 -0.22 0.41 0.00 0.00 173.24 174.47 2a6s s LEU 75 N -0.43 4.57 -0.27 2.44 2.96 0.68 -1.72 118.68 126.92 2a6s s LEU 75 Ca -0.04 -0.52 -0.12 0.00 -0.22 0.00 0.00 54.13 53.23 2a6s s LEU 75 Cb -0.03 -2.12 -0.05 0.00 0.50 0.00 0.00 46.19 44.49 2a6s s LEU 75 CO -0.00 -0.27 0.22 -0.76 -1.32 0.00 0.00 176.35 174.22 2a6s s LEU 76 N 1.70 4.05 -0.31 -0.68 1.43 0.28 -0.64 118.68 124.51 2a6s s LEU 76 Ca 0.06 0.08 -0.15 0.00 -1.03 0.00 0.00 54.13 53.09 2a6s s LEU 76 Cb -0.18 -2.18 -0.03 0.00 0.03 0.00 0.00 46.19 43.84 2a6s s LEU 76 CO 0.10 -0.05 0.35 -0.63 0.23 0.00 0.00 176.35 176.35 2a6s s ILE 77 N 1.64 5.18 -0.12 -0.59 -1.09 0.39 -1.11 121.20 125.51 2a6s s ILE 77 Ca 0.09 0.27 0.17 0.00 -2.23 0.00 0.00 60.65 58.95 2a6s s ILE 77 Cb -0.15 -3.74 -0.14 0.00 -1.58 0.00 0.00 42.46 36.84 2a6s s ILE 77 CO 0.09 0.04 0.81 0.00 -1.23 0.00 0.00 174.94 174.66 2a6s n ALA 78 N 5.33 1.91 -3.58 9.38 0.00 0.64 -3.62 120.51 130.57 2a6s n ALA 78 Ca -0.09 -0.55 -0.06 0.00 0.00 0.00 0.00 53.44 52.74 2a6s n ALA 78 Cb 0.50 -0.95 -0.03 0.00 0.00 0.00 0.00 19.45 18.97 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 -2.91 -2.01 -0.05 0.00 0.00 -1.14 -4.27 121.76 111.37 2a6s s ALA 79 Ca -0.03 1.55 0.20 0.00 0.00 0.00 0.00 51.96 53.68 2a6s s ALA 79 Cb 0.09 -0.34 0.36 0.00 0.00 0.00 0.00 23.12 23.22 2a6s s ALA 79 CO 0.81 -0.51 1.15 0.00 0.00 0.00 0.00 175.76 177.21 2a6s s ARG 81 N -0.56 0.78 0.49 0.00 3.52 -1.23 -4.74 118.95 117.22 2a6s s ARG 81 Ca 0.25 -0.16 0.00 0.00 -0.13 0.00 0.00 55.73 55.70 2a6s s ARG 81 Cb 0.31 0.35 0.00 0.00 -1.56 0.00 0.00 34.95 34.05 2a6s s ARG 81 CO -0.12 -0.23 0.00 0.66 -0.81 0.00 0.00 175.30 174.80 2a6s n TYR 82 N 1.05 -2.63 0.81 5.12 0.53 -1.25 -4.62 117.16 116.17 2a6s n TYR 82 Ca -0.20 0.79 0.10 0.00 -1.02 0.00 0.00 57.90 57.56 2a6s n TYR 82 Cb 0.57 -1.43 0.08 0.00 -1.03 0.00 0.00 39.34 37.53 2a6s n TYR 82 CO 0.00 0.00 0.00 1.58 -1.02 0.00 0.00 176.86 177.42