#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xyd n SER 1 N 0.00 -1.70 0.06 7.83 7.64 -1.26 -4.91 113.62 121.28 1xyd n SER 1 Ca 0.00 0.00 0.18 0.00 1.01 0.00 0.00 58.87 60.06 1xyd n SER 1 Cb 0.00 -0.28 0.70 0.00 -1.01 0.00 0.00 64.21 63.62 1xyd n SER 1 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1xyd h GLU 2 N 1.63 0.00 0.00 1.43 5.08 -2.06 1.14 114.58 121.81 1xyd h GLU 2 Ca 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1xyd h GLU 2 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1xyd h GLU 2 CO 0.00 0.00 -0.16 -0.07 -1.00 0.00 0.00 179.01 177.78 1xyd h LEU 3 N 0.00 0.00 0.00 1.33 -0.00 -2.00 -2.05 115.31 112.58 1xyd h LEU 3 Ca 0.20 0.00 -0.17 0.00 -0.00 0.00 0.00 57.88 57.91 1xyd h LEU 3 Cb 0.82 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.46 1xyd h LEU 3 CO -0.00 0.16 -0.85 -0.08 -0.00 0.00 0.00 178.44 177.67 1xyd h GLU 4 N 0.00 0.00 -0.36 1.13 4.81 0.93 -2.38 114.58 118.71 1xyd h GLU 4 Ca -0.00 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.17 1xyd h GLU 4 Cb 0.69 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.05 1xyd h GLU 4 CO 0.02 0.77 0.01 -0.22 -0.73 0.00 0.00 179.01 178.86 1xyd h LYS 5 N 0.00 0.62 0.02 1.92 1.63 -0.62 -2.63 116.57 117.51 1xyd h LYS 5 Ca -0.02 -0.19 -0.00 0.00 -0.85 0.00 0.00 60.65 59.58 1xyd h LYS 5 Cb 1.63 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 33.20 1xyd h LYS 5 CO 0.10 0.73 -0.01 0.00 -3.45 0.00 0.00 179.45 176.82 1xyd h ALA 6 N 0.87 -0.03 -0.93 5.00 0.00 -1.47 -1.25 119.26 121.44 1xyd h ALA 6 Ca 0.10 -0.18 0.21 0.00 0.00 0.00 0.00 54.91 55.04 1xyd h ALA 6 Cb 0.44 0.01 -0.12 0.00 0.00 0.00 0.00 17.79 18.13 1xyd h ALA 6 CO 0.02 -0.33 0.49 0.52 0.00 0.00 0.00 179.25 179.94 1xyd h MET 7 N -0.40 0.53 -0.16 0.00 2.86 -1.41 0.18 114.93 116.54 1xyd h MET 7 Ca -0.00 -0.03 -0.17 0.00 -2.06 0.00 0.00 59.70 57.44 1xyd h MET 7 Cb 0.38 -0.12 0.01 0.00 0.06 0.00 0.00 31.60 31.92 1xyd h MET 7 CO 0.01 0.35 -0.56 0.28 1.06 0.00 0.00 176.91 178.04 1xyd h VAL 8 N 0.55 1.32 -0.57 -2.22 2.07 -1.34 -1.26 116.25 114.79 1xyd h VAL 8 Ca 0.57 -1.81 -0.01 0.00 0.82 0.00 0.00 66.70 66.27 1xyd h VAL 8 Cb 1.01 1.99 -0.03 0.00 -1.52 0.00 0.00 31.29 32.75 1xyd h VAL 8 CO -0.46 0.56 0.30 0.00 0.02 0.00 0.00 177.57 177.99 1xyd h ALA 9 N 0.55 1.46 0.09 1.67 0.00 0.30 -2.98 119.26 120.34 1xyd h ALA 9 Ca -0.02 -0.10 -0.16 0.00 0.00 0.00 0.00 54.91 54.62 1xyd h ALA 9 Cb 1.19 -0.23 0.02 0.00 0.00 0.00 0.00 17.79 18.76 1xyd h ALA 9 CO 0.12 0.45 -0.70 -0.07 0.00 0.00 0.00 179.25 179.05 1xyd h LEU 10 N 0.80 0.45 -0.88 0.00 4.07 -0.69 -3.23 115.31 115.83 1xyd h LEU 10 Ca 0.20 -0.90 0.23 0.00 0.08 0.00 0.00 57.88 57.49 1xyd h LEU 10 Cb 0.04 -0.14 -0.15 0.00 1.08 0.00 0.00 40.66 41.48 1xyd h LEU 10 CO -0.03 1.31 0.08 0.40 -1.08 0.00 0.00 178.44 179.12 1xyd h ILE 11 N -0.35 0.21 0.08 1.22 5.03 -1.08 3.07 117.51 125.71 1xyd h ILE 11 Ca -0.11 -0.03 -0.00 0.00 -0.12 0.00 0.00 64.86 64.59 1xyd h ILE 11 Cb 1.50 0.11 0.00 0.00 -3.03 0.00 0.00 36.82 35.40 1xyd h ILE 11 CO 0.13 0.02 -0.04 0.44 -0.68 0.00 0.00 178.15 178.02 1xyd h ASP 12 N 0.10 -0.10 1.14 1.72 3.32 -1.63 -0.83 116.42 120.15 1xyd h ASP 12 Ca 0.52 -0.11 -0.10 0.00 0.02 0.00 0.00 57.03 57.36 1xyd h ASP 12 Cb 1.03 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.59 1xyd h ASP 12 CO -0.76 0.05 -0.48 0.58 -1.72 0.00 0.00 179.24 176.92 1xyd h VAL 13 N -0.24 0.93 -0.17 -1.35 2.07 -0.75 -2.54 116.25 114.20 1xyd h VAL 13 Ca -0.01 -1.97 -0.14 0.00 0.82 0.00 0.00 66.70 65.40 1xyd h VAL 13 Cb 0.20 2.22 0.00 0.00 -1.52 0.00 0.00 31.29 32.19 1xyd h VAL 13 CO 0.02 0.47 -0.42 -0.26 0.02 0.00 0.00 177.57 177.40 1xyd h PHE 14 N 0.00 0.76 0.05 1.57 -1.00 0.56 -2.30 116.94 116.58 1xyd h PHE 14 Ca -0.00 -0.29 -0.26 0.00 2.81 0.00 0.00 57.97 60.23 1xyd h PHE 14 Cb 1.18 -0.14 0.01 0.00 3.61 0.00 0.00 35.95 40.62 1xyd h PHE 14 CO 0.00 1.05 -1.08 1.25 -1.61 0.00 0.00 178.31 177.92 1xyd h HIS 15 N 0.25 0.79 -0.45 -0.55 2.76 -1.20 0.28 115.15 117.04 1xyd h HIS 15 Ca -0.00 -0.46 -0.12 0.00 -2.20 0.00 0.00 60.37 57.58 1xyd h HIS 15 Cb 1.03 -0.08 -0.01 0.00 1.55 0.00 0.00 27.41 29.90 1xyd h HIS 15 CO 0.10 1.30 -0.20 1.96 -1.30 0.00 0.00 177.93 179.79 1xyd h GLN 16 N 0.26 0.90 0.00 5.26 4.20 -1.52 -0.03 115.11 124.18 1xyd h GLN 16 Ca -0.12 -0.36 -0.02 0.00 0.06 0.00 0.00 58.65 58.20 1xyd h GLN 16 Cb 1.73 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 29.47 1xyd h GLN 16 CO 0.20 1.01 -0.45 1.88 -0.67 0.00 0.00 178.83 180.80 1xyd h TYR 17 N 0.78 0.00 -0.12 2.96 -1.99 -1.47 -1.94 116.97 115.19 1xyd h TYR 17 Ca 0.11 0.00 0.03 0.00 2.00 0.00 0.00 58.73 60.87 1xyd h TYR 17 Cb 0.74 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.47 1xyd h TYR 17 CO 0.04 0.15 0.15 0.66 -0.00 0.00 0.00 178.16 179.16 1xyd h SER 18 N -1.00 0.00 -0.25 3.88 4.64 -1.08 0.32 113.55 120.06 1xyd h SER 18 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1xyd h SER 18 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1xyd h SER 18 CO -0.02 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.55 1xyd n GLY 19 N -1.36 1.39 0.25 -0.77 0.00 -0.02 -2.82 105.19 101.85 1xyd n GLY 19 Ca 0.00 -0.71 -0.08 0.00 0.00 0.00 0.00 46.02 45.23 1xyd n GLY 19 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1xyd h ARG 20 N 4.43 0.84 -2.84 1.61 2.43 0.48 -3.46 114.38 117.87 1xyd h ARG 20 Ca 0.00 -0.18 -0.06 0.00 -0.81 0.00 0.00 59.98 58.93 1xyd h ARG 20 Cb 0.96 -0.12 -0.16 0.00 -0.42 0.00 0.00 29.97 30.24 1xyd h ARG 20 CO 0.00 0.77 0.03 -1.83 -1.51 0.00 0.00 179.97 177.43 1xyd s GLU 21 N -5.40 1.04 0.00 0.20 -1.05 -1.26 -5.08 118.70 107.15 1xyd s GLU 21 Ca -0.13 -0.28 0.00 0.00 -0.15 0.00 0.00 54.97 54.41 1xyd s GLU 21 Cb 0.12 0.47 0.00 0.00 -0.44 0.00 0.00 34.13 34.28 1xyd s GLU 21 CO 0.79 -0.38 0.00 0.41 0.95 0.00 0.00 175.26 177.03 1xyd n GLY 22 N 0.34 -1.53 0.00 -3.83 0.00 -1.26 -4.74 105.19 94.16 1xyd n GLY 22 Ca -0.18 -2.06 0.00 0.00 0.00 0.00 0.00 46.02 43.78 1xyd n GLY 22 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xyd n ASP 23 N 0.00 0.00 0.00 1.61 9.92 -1.26 -4.87 116.55 121.95 1xyd n ASP 23 Ca 0.00 0.48 0.00 0.00 -0.53 0.00 0.00 54.79 54.74 1xyd n ASP 23 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1xyd n ASP 23 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1xyd n LYS 24 N -0.78 0.00 -2.70 -1.24 0.00 -1.26 -5.01 118.16 107.17 1xyd n LYS 24 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 58.31 58.25 1xyd n LYS 24 Cb 0.00 0.00 0.09 0.00 0.00 0.00 0.00 35.03 35.12 1xyd n LYS 24 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1xyd n HIS 25 N 0.00 -1.11 -4.19 5.64 -0.00 -1.24 -4.03 115.22 110.29 1xyd n HIS 25 Ca 0.00 -2.11 -0.16 0.00 -0.00 0.00 0.00 57.72 55.45 1xyd n HIS 25 Cb 0.00 0.92 -0.13 0.00 -0.00 0.00 0.00 29.99 30.79 1xyd n HIS 25 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.34 176.55 1xyd s LYS 26 N -1.05 0.65 -0.13 -0.41 2.20 -1.13 -4.60 119.74 115.27 1xyd s LYS 26 Ca 0.21 -0.63 -0.23 0.00 -0.36 0.00 0.00 55.97 54.96 1xyd s LYS 26 Cb 0.42 -0.56 -0.03 0.00 -1.51 0.00 0.00 37.83 36.15 1xyd s LYS 26 CO -0.06 0.13 0.70 -1.17 -0.36 0.00 0.00 175.35 174.59 1xyd s LEU 27 N -1.10 4.23 0.08 5.43 0.20 -1.19 -4.31 118.68 122.02 1xyd s LEU 27 Ca -0.03 1.07 0.04 0.00 0.69 0.00 0.00 54.13 55.90 1xyd s LEU 27 Cb -0.07 -3.05 -0.04 0.00 -0.43 0.00 0.00 46.19 42.60 1xyd s LEU 27 CO 0.01 -0.22 0.01 -0.54 -0.29 0.00 0.00 176.35 175.31 1xyd s LYS 28 N 1.41 2.61 0.26 1.98 1.02 -1.26 -3.18 119.74 122.59 1xyd s LYS 28 Ca 0.35 -0.79 -0.06 0.00 0.02 0.00 0.00 55.97 55.48 1xyd s LYS 28 Cb -0.17 -2.57 0.48 0.00 -0.52 0.00 0.00 37.83 35.05 1xyd s LYS 28 CO 0.14 0.55 1.60 0.87 -0.92 0.00 0.00 175.35 177.60 1xyd h LYS 29 N 3.56 0.04 0.00 1.68 1.57 -1.97 2.12 116.57 123.56 1xyd h LYS 29 Ca -0.48 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1xyd h LYS 29 Cb 1.17 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.47 1xyd h LYS 29 CO 0.60 0.03 0.35 0.43 -0.57 0.00 0.00 179.45 180.28 1xyd n SER 30 N -5.47 0.10 -0.13 0.86 7.64 -1.26 -0.00 113.62 115.37 1xyd n SER 30 Ca 0.15 0.32 -0.21 0.00 1.01 0.00 0.00 58.87 60.14 1xyd n SER 30 Cb 0.52 -0.27 -0.12 0.00 -1.01 0.00 0.00 64.21 63.33 1xyd n SER 30 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1xyd n GLU 31 N -1.53 0.64 0.09 1.43 1.02 0.71 -3.22 120.64 119.78 1xyd n GLU 31 Ca -0.00 0.19 -0.13 0.00 -0.02 0.00 0.00 57.16 57.19 1xyd n GLU 31 Cb 0.36 -1.52 -0.08 0.00 -0.02 0.00 0.00 31.44 30.17 1xyd n GLU 31 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1xyd h LEU 32 N -0.28 -0.16 -0.80 -4.62 6.46 -0.16 2.65 115.31 118.39 1xyd h LEU 32 Ca -0.61 -0.12 -0.09 0.00 -0.12 0.00 0.00 57.88 56.94 1xyd h LEU 32 Cb 1.82 0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 41.77 1xyd h LEU 32 CO -0.18 0.03 -0.05 0.50 -0.62 0.00 0.00 178.44 178.12 1xyd h LYS 33 N -0.35 0.85 0.05 1.25 3.64 -1.51 0.15 116.57 120.65 1xyd h LYS 33 Ca -0.02 -0.26 -0.23 0.00 -1.27 0.00 0.00 60.65 58.87 1xyd h LYS 33 Cb 0.28 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 1xyd h LYS 33 CO 0.03 0.88 -1.03 1.49 -2.27 0.00 0.00 179.45 178.55 1xyd h GLU 34 N 0.78 0.24 -0.04 1.90 4.57 -1.47 -2.75 114.58 117.81 1xyd h GLU 34 Ca 0.14 -0.32 -0.17 0.00 -1.18 0.00 0.00 59.36 57.83 1xyd h GLU 34 Cb 0.54 0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.22 1xyd h GLU 34 CO 0.03 1.08 -0.74 1.25 -1.18 0.00 0.00 179.01 179.45 1xyd h LEU 35 N 0.10 0.29 -0.74 1.64 5.85 0.48 -1.55 115.31 121.38 1xyd h LEU 35 Ca -0.08 -0.20 -0.10 0.00 0.84 0.00 0.00 57.88 58.34 1xyd h LEU 35 Cb 1.72 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.64 1xyd h LEU 35 CO 0.16 0.93 -0.16 0.40 -0.34 0.00 0.00 178.44 179.44 1xyd h ILE 36 N 0.16 1.26 0.00 4.05 2.04 -0.71 -1.60 117.51 122.71 1xyd h ILE 36 Ca -0.03 -1.25 -0.04 0.00 1.00 0.00 0.00 64.86 64.54 1xyd h ILE 36 Cb 1.31 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 38.50 1xyd h ILE 36 CO 0.12 0.42 -0.21 -1.13 0.00 0.00 0.00 178.15 177.35 1xyd h ASN 37 N 0.71 0.00 0.05 1.72 -0.00 -1.35 0.89 115.58 117.60 1xyd h ASN 37 Ca 0.11 0.00 -0.36 0.00 -0.00 0.00 0.00 56.30 56.05 1xyd h ASN 37 Cb 0.66 0.00 -0.04 0.00 -0.00 0.00 0.00 38.32 38.94 1xyd h ASN 37 CO 0.05 0.21 -2.05 -3.20 -0.00 0.00 0.00 177.43 172.43 1xyd n ASN 38 N -3.18 2.01 0.01 1.15 2.85 -0.60 -4.52 115.26 112.99 1xyd n ASN 38 Ca 0.03 0.18 0.00 0.00 -0.11 0.00 0.00 54.58 54.68 1xyd n ASN 38 Cb 0.58 -0.76 0.00 0.00 1.24 0.00 0.00 39.78 40.84 1xyd n ASN 38 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1xyd n GLU 39 N -3.73 0.00 0.00 1.20 1.02 -0.63 -4.62 120.64 113.88 1xyd n GLU 39 Ca -0.39 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.75 1xyd n GLU 39 Cb 0.94 -0.49 0.00 0.00 -0.02 0.00 0.00 31.44 31.87 1xyd n GLU 39 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1xyd n LEU 40 N -3.04 1.18 0.17 -4.62 4.77 -1.05 -3.26 117.00 111.14 1xyd n LEU 40 Ca 0.00 -0.59 0.13 0.00 -0.03 0.00 0.00 56.01 55.52 1xyd n LEU 40 Cb 0.43 -0.48 0.29 0.00 -2.33 0.00 0.00 43.42 41.34 1xyd n LEU 40 CO 0.00 0.27 0.85 0.77 -1.33 0.00 0.00 177.39 177.95 1xyd h SER 41 N 0.06 0.00 0.84 -1.43 4.64 0.71 1.05 113.55 119.41 1xyd h SER 41 Ca 0.00 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 1xyd h SER 41 Cb 0.53 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.60 1xyd h SER 41 CO 0.00 0.00 -1.23 0.45 -0.87 0.00 0.00 176.83 175.18 1xyd h HIS 42 N 0.00 0.00 0.00 4.77 3.86 -1.81 -3.40 115.15 118.57 1xyd h HIS 42 Ca 0.00 0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 59.02 1xyd h HIS 42 Cb 0.86 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.31 1xyd h HIS 42 CO 0.00 0.38 -1.58 1.19 0.86 0.00 0.00 177.93 178.78 1xyd n PHE 43 N -2.83 0.00 -3.29 2.45 3.72 -1.15 -4.92 117.46 111.44 1xyd n PHE 43 Ca -0.06 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 56.96 1xyd n PHE 43 Cb 0.74 -0.65 -0.06 0.00 -0.94 0.00 0.00 39.48 38.57 1xyd n PHE 43 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1xyd s LEU 44 N -7.58 4.31 0.65 4.37 2.01 0.36 -5.03 118.68 117.76 1xyd s LEU 44 Ca -0.30 0.89 -0.18 0.00 0.01 0.00 0.00 54.13 54.56 1xyd s LEU 44 Cb 0.08 -2.75 -0.01 0.00 0.01 0.00 0.00 46.19 43.52 1xyd s LEU 44 CO 0.40 0.02 1.18 1.21 1.01 0.00 0.00 176.35 180.18 1xyd n GLU 45 N 3.48 0.98 -1.93 1.70 2.13 -1.26 -3.93 120.64 121.80 1xyd n GLU 45 Ca -0.07 0.39 -0.37 0.00 0.66 0.00 0.00 57.16 57.77 1xyd n GLU 45 Cb 0.52 -2.42 -0.03 0.00 0.27 0.00 0.00 31.44 29.78 1xyd n GLU 45 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 1xyd s GLU 46 N -3.25 2.49 0.37 5.31 2.12 -1.26 -4.90 118.70 119.58 1xyd s GLU 46 Ca 0.80 0.72 -0.28 0.00 0.36 0.00 0.00 54.97 56.58 1xyd s GLU 46 Cb -0.38 -4.47 -0.10 0.00 0.26 0.00 0.00 34.13 29.44 1xyd s GLU 46 CO 0.43 -2.91 1.36 0.96 -0.54 0.00 0.00 175.26 174.55 1xyd s ILE 47 N 9.88 2.49 -0.34 -3.70 -4.36 -1.26 -4.90 121.20 119.01 1xyd s ILE 47 Ca 0.74 0.48 0.14 0.00 -0.26 0.00 0.00 60.65 61.75 1xyd s ILE 47 Cb -0.13 -3.30 -0.19 0.00 1.25 0.00 0.00 42.46 40.09 1xyd s ILE 47 CO 0.20 0.10 0.46 0.29 0.24 0.00 0.00 174.94 176.24 1xyd n LYS 48 N 0.51 1.35 -5.10 0.37 5.02 -1.26 -4.94 118.16 114.10 1xyd n LYS 48 Ca 0.01 -0.07 -0.29 0.00 -2.02 0.00 0.00 58.31 55.94 1xyd n LYS 48 Cb 0.42 -1.26 -0.16 0.00 -0.02 0.00 0.00 35.03 34.00 1xyd n LYS 48 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1xyd s GLU 49 N -2.69 2.17 0.39 1.97 2.02 -1.26 -5.00 118.70 116.29 1xyd s GLU 49 Ca -0.00 -0.79 0.28 0.00 0.02 0.00 0.00 54.97 54.48 1xyd s GLU 49 Cb 0.10 -1.89 1.14 0.00 0.10 0.00 0.00 34.13 33.58 1xyd s GLU 49 CO 0.60 0.36 1.83 1.96 0.02 0.00 0.00 175.26 180.03 1xyd h GLN 50 N 6.03 0.00 -1.11 1.61 4.20 -1.99 -3.20 115.11 120.64 1xyd h GLN 50 Ca -0.34 0.00 0.31 0.00 0.06 0.00 0.00 58.65 58.68 1xyd h GLN 50 Cb 1.17 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 28.84 1xyd h GLN 50 CO 0.47 0.00 0.71 0.93 -0.67 0.00 0.00 178.83 180.27 1xyd h GLU 51 N 0.00 0.30 0.09 1.46 5.08 -1.98 1.24 114.58 120.77 1xyd h GLU 51 Ca 0.00 -0.02 -0.27 0.00 -1.00 0.00 0.00 59.36 58.07 1xyd h GLU 51 Cb 0.45 -0.07 0.02 0.00 0.50 0.00 0.00 28.75 29.65 1xyd h GLU 51 CO 0.00 0.20 -1.16 -0.39 -1.00 0.00 0.00 179.01 176.65 1xyd h VAL 52 N 0.31 1.36 0.00 3.13 -1.51 -1.98 -1.30 116.25 116.25 1xyd h VAL 52 Ca 0.65 -2.59 -0.02 0.00 -1.23 0.00 0.00 66.70 63.51 1xyd h VAL 52 Cb 1.78 2.67 -0.00 0.00 -2.13 0.00 0.00 31.29 33.61 1xyd h VAL 52 CO -0.33 0.78 -0.10 1.62 -1.23 0.00 0.00 177.57 178.30 1xyd h VAL 53 N 0.22 0.46 0.07 7.19 3.04 0.28 0.39 116.25 127.91 1xyd h VAL 53 Ca -0.15 -0.50 -0.25 0.00 -1.01 0.00 0.00 66.70 64.79 1xyd h VAL 53 Cb 1.84 1.34 0.01 0.00 -2.01 0.00 0.00 31.29 32.47 1xyd h VAL 53 CO 0.21 0.10 -1.10 0.44 -1.01 0.00 0.00 177.57 176.21 1xyd h ASP 54 N 0.00 0.51 0.09 3.17 3.32 0.15 -2.10 116.42 121.55 1xyd h ASP 54 Ca -0.00 -0.47 -0.00 0.00 0.02 0.00 0.00 57.03 56.58 1xyd h ASP 54 Cb 0.33 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.73 1xyd h ASP 54 CO 0.01 1.31 -0.04 0.50 -1.72 0.00 0.00 179.24 179.30 1xyd h LYS 55 N 0.16 -0.11 -1.00 3.56 1.63 0.08 -1.27 116.57 119.61 1xyd h LYS 55 Ca -0.11 0.01 0.13 0.00 -0.85 0.00 0.00 60.65 59.83 1xyd h LYS 55 Cb 1.78 0.03 -0.09 0.00 -0.60 0.00 0.00 32.23 33.34 1xyd h LYS 55 CO 0.19 0.43 0.63 -0.24 -3.45 0.00 0.00 179.45 177.00 1xyd h VAL 56 N -0.83 0.88 -0.08 2.00 3.04 -0.40 0.69 116.25 121.55 1xyd h VAL 56 Ca -0.01 -0.33 -0.06 0.00 -1.01 0.00 0.00 66.70 65.29 1xyd h VAL 56 Cb 0.59 -0.16 -0.01 0.00 -2.01 0.00 0.00 31.29 29.70 1xyd h VAL 56 CO 0.02 0.17 -0.23 0.24 -1.01 0.00 0.00 177.57 176.76 1xyd h MET 57 N 0.96 0.13 -0.65 4.17 2.86 -1.37 -0.14 114.93 120.90 1xyd h MET 57 Ca 0.51 -0.04 -0.06 0.00 -2.06 0.00 0.00 59.70 58.05 1xyd h MET 57 Cb 0.56 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.17 1xyd h MET 57 CO -0.29 0.37 0.16 1.49 1.06 0.00 0.00 176.91 179.70 1xyd h GLU 58 N 0.12 1.02 0.02 1.72 4.81 0.16 2.12 114.58 124.55 1xyd h GLU 58 Ca 0.02 -0.23 -0.21 0.00 -0.13 0.00 0.00 59.36 58.81 1xyd h GLU 58 Cb 0.49 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 1xyd h GLU 58 CO 0.03 0.90 -0.99 1.15 -0.73 0.00 0.00 179.01 179.37 1xyd h THR 59 N 0.97 1.65 0.08 0.32 2.02 -0.68 -3.36 112.91 113.91 1xyd h THR 59 Ca 0.21 -3.22 -0.33 0.00 0.77 0.00 0.00 66.41 63.83 1xyd h THR 59 Cb 0.34 2.78 -0.03 0.00 -1.74 0.00 0.00 68.15 69.50 1xyd h THR 59 CO -0.00 0.92 -1.84 0.18 0.37 0.00 0.00 175.52 175.15 1xyd n LEU 60 N -3.43 2.42 -4.53 2.58 7.99 -0.12 -4.82 117.00 117.08 1xyd n LEU 60 Ca -0.01 0.25 -0.45 0.00 -0.01 0.00 0.00 56.01 55.79 1xyd n LEU 60 Cb 0.91 -1.06 -0.05 0.00 -0.11 0.00 0.00 43.42 43.12 1xyd n LEU 60 CO 0.48 0.69 1.87 0.47 -1.51 0.00 0.00 177.39 179.39 1xyd n ASP 61 N -3.76 2.63 0.01 -1.43 9.92 0.71 -4.78 116.55 119.86 1xyd n ASP 61 Ca -0.34 0.18 -0.22 0.00 -0.53 0.00 0.00 54.79 53.89 1xyd n ASP 61 Cb 0.94 -1.43 -0.14 0.00 -0.64 0.00 0.00 41.12 39.85 1xyd n ASP 61 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1xyd h GLU 62 N 14.60 0.25 0.00 -1.24 4.39 -1.87 -3.23 114.58 127.48 1xyd h GLU 62 Ca -0.33 -0.43 0.00 0.00 0.34 0.00 0.00 59.36 58.94 1xyd h GLU 62 Cb 1.28 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 30.09 1xyd h GLU 62 CO 1.02 1.21 0.00 -0.40 -1.16 0.00 0.00 179.01 179.68 1xyd n ASP 63 N -3.86 0.00 -3.75 1.42 5.75 -1.26 -4.86 116.55 109.98 1xyd n ASP 63 Ca -0.26 -0.67 -0.25 0.00 -0.01 0.00 0.00 54.79 53.60 1xyd n ASP 63 Cb 0.93 -0.10 0.04 0.00 -1.03 0.00 0.00 41.12 40.96 1xyd n ASP 63 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xyd n GLY 64 N 1.04 -0.44 0.35 6.12 0.00 -1.22 -4.85 105.19 106.19 1xyd n GLY 64 Ca 0.20 0.18 0.12 0.00 0.00 0.00 0.00 46.02 46.52 1xyd n GLY 64 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1xyd n ASP 65 N -2.96 1.51 0.00 1.61 5.75 -1.26 -4.91 116.55 116.30 1xyd n ASP 65 Ca -0.09 -1.19 0.00 0.00 -0.01 0.00 0.00 54.79 53.50 1xyd n ASP 65 Cb 0.59 0.37 0.00 0.00 -1.03 0.00 0.00 41.12 41.05 1xyd n ASP 65 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xyd n GLY 66 N 1.40 0.80 3.42 6.12 0.00 -1.26 -4.94 105.19 110.73 1xyd n GLY 66 Ca 0.10 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.90 1xyd n GLY 66 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xyd s GLU 67 N -0.32 1.54 -0.37 1.61 2.02 -1.26 -4.71 118.70 117.21 1xyd s GLU 67 Ca 0.00 -1.71 0.02 0.00 0.02 0.00 0.00 54.97 53.30 1xyd s GLU 67 Cb 0.00 -1.50 0.11 0.00 0.10 0.00 0.00 34.13 32.84 1xyd s GLU 67 CO 0.00 0.26 0.13 0.00 0.02 0.00 0.00 175.26 175.67 1xyd n ASP 69 N 4.16 -1.30 0.08 0.00 9.92 -1.26 -3.16 116.55 124.99 1xyd n ASP 69 Ca 0.03 -0.02 -0.09 0.00 -0.53 0.00 0.00 54.79 54.19 1xyd n ASP 69 Cb 0.39 -0.03 -0.06 0.00 -0.64 0.00 0.00 41.12 40.79 1xyd n ASP 69 CO 0.00 0.00 0.00 2.19 0.13 0.00 0.00 177.20 179.52 1xyd h PHE 70 N -1.66 0.18 -0.00 1.24 -5.15 -1.98 0.24 116.94 109.80 1xyd h PHE 70 Ca -0.01 -0.11 -0.19 0.00 -0.20 0.00 0.00 57.97 57.45 1xyd h PHE 70 Cb 0.03 -0.01 -0.01 0.00 0.22 0.00 0.00 35.95 36.17 1xyd h PHE 70 CO 0.00 1.00 -0.85 -0.56 -2.00 0.00 0.00 178.31 175.90 1xyd h GLN 71 N 0.05 0.20 0.17 6.09 -0.00 -1.99 -2.81 115.11 116.82 1xyd h GLN 71 Ca -0.04 -0.21 -0.35 0.00 -0.00 0.00 0.00 58.65 58.05 1xyd h GLN 71 Cb 1.65 0.06 0.00 0.00 -0.00 0.00 0.00 27.48 29.20 1xyd h GLN 71 CO 0.14 0.94 -1.76 1.49 -0.00 0.00 0.00 178.83 179.63 1xyd h GLU 72 N 0.12 0.35 -1.01 0.06 4.81 -1.88 -3.24 114.58 113.79 1xyd h GLU 72 Ca -0.04 -0.60 0.11 0.00 -0.13 0.00 0.00 59.36 58.70 1xyd h GLU 72 Cb 1.47 0.22 -0.08 0.00 0.63 0.00 0.00 28.75 30.99 1xyd h GLU 72 CO 0.13 1.29 0.64 0.35 -0.73 0.00 0.00 179.01 180.68 1xyd h PHE 73 N 0.05 1.15 -0.48 0.92 3.57 -1.00 0.23 116.94 121.37 1xyd h PHE 73 Ca -0.36 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.16 1xyd h PHE 73 Cb 2.04 -0.37 -0.02 0.00 2.79 0.00 0.00 35.95 40.39 1xyd h PHE 73 CO 0.10 0.48 0.23 1.98 -2.23 0.00 0.00 178.31 178.86 1xyd h MET 74 N 1.02 0.70 -0.21 1.11 4.05 -1.61 -0.48 114.93 119.51 1xyd h MET 74 Ca 0.49 -0.11 0.06 0.00 -0.28 0.00 0.00 59.70 59.86 1xyd h MET 74 Cb 0.45 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 31.12 1xyd h MET 74 CO -0.25 0.59 0.51 0.00 0.23 0.00 0.00 176.91 178.00 1xyd h ALA 75 N 1.07 1.78 -0.00 0.39 0.00 -0.58 0.20 119.26 122.12 1xyd h ALA 75 Ca 0.16 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1xyd h ALA 75 Cb 0.13 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1xyd h ALA 75 CO -0.02 -0.62 -0.13 0.35 0.00 0.00 0.00 179.25 178.83 1xyd h PHE 76 N 0.00 0.14 -0.89 0.00 3.57 -0.72 -2.37 116.94 116.67 1xyd h PHE 76 Ca 0.10 -0.07 0.06 0.00 3.53 0.00 0.00 57.97 61.59 1xyd h PHE 76 Cb 1.13 -0.02 -0.06 0.00 2.79 0.00 0.00 35.95 39.79 1xyd h PHE 76 CO 0.00 0.85 0.58 0.28 -2.23 0.00 0.00 178.31 177.79 1xyd h VAL 77 N -0.61 1.07 -0.08 1.41 2.07 -0.59 -0.21 116.25 119.32 1xyd h VAL 77 Ca -0.02 -0.35 -0.09 0.00 0.82 0.00 0.00 66.70 67.07 1xyd h VAL 77 Cb 0.88 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1xyd h VAL 77 CO 0.03 0.19 -0.36 -1.28 0.02 0.00 0.00 177.57 176.17 1xyd h SER 78 N 1.02 0.15 0.85 0.57 0.87 -1.32 1.64 113.55 117.34 1xyd h SER 78 Ca 0.38 -0.05 -0.07 0.00 -1.23 0.00 0.00 61.79 60.82 1xyd h SER 78 Cb 0.18 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.09 1xyd h SER 78 CO -0.14 0.50 -0.32 -0.03 -0.53 0.00 0.00 176.83 176.32 1xyd h MET 79 N 0.13 0.00 0.12 2.24 -1.53 -0.53 0.95 114.93 116.30 1xyd h MET 79 Ca 0.02 0.00 -0.32 0.00 -3.44 0.00 0.00 59.70 55.95 1xyd h MET 79 Cb 0.69 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.73 1xyd h MET 79 CO 0.05 0.32 -1.68 0.28 0.14 0.00 0.00 176.91 176.02 1xyd h VAL 80 N 0.00 0.98 -0.14 -5.77 2.07 0.06 -3.13 116.25 110.32 1xyd h VAL 80 Ca -0.00 -2.65 -0.16 0.00 0.82 0.00 0.00 66.70 64.71 1xyd h VAL 80 Cb 0.83 2.67 -0.01 0.00 -1.52 0.00 0.00 31.29 33.26 1xyd h VAL 80 CO 0.04 0.80 -0.58 0.00 0.02 0.00 0.00 177.57 177.85 1xyd h THR 81 N 0.07 1.34 -0.73 2.57 1.03 0.28 -2.81 112.91 114.65 1xyd h THR 81 Ca -0.30 -1.88 -0.05 0.00 -0.01 0.00 0.00 66.41 64.17 1xyd h THR 81 Cb 2.03 1.87 -0.03 0.00 -1.07 0.00 0.00 68.15 70.95 1xyd h THR 81 CO 0.14 0.57 0.26 0.71 -0.01 0.00 0.00 175.52 177.19 1xyd h THR 82 N 0.34 1.25 -0.32 0.00 1.35 0.84 -1.99 112.91 114.39 1xyd h THR 82 Ca -0.00 -0.85 -0.04 0.00 -0.55 0.00 0.00 66.41 64.97 1xyd h THR 82 Cb 1.12 0.42 -0.01 0.00 -1.73 0.00 0.00 68.15 67.94 1xyd h THR 82 CO 0.10 0.34 0.04 0.00 -0.25 0.00 0.00 175.52 175.75 1xyd h ALA 83 N 1.20 0.42 0.00 6.62 0.00 -1.47 0.82 119.26 126.84 1xyd h ALA 83 Ca 0.24 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1xyd h ALA 83 Cb 0.26 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1xyd h ALA 83 CO -0.01 0.13 0.00 0.00 0.00 0.00 0.00 179.25 179.37 1xyd n HIS 85 N -2.30 0.00 -0.05 0.00 -0.00 -0.34 -3.65 115.22 108.87 1xyd n HIS 85 Ca -0.01 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.58 1xyd n HIS 85 Cb 0.06 -0.98 -0.07 0.00 -0.00 0.00 0.00 29.99 29.00 1xyd n HIS 85 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.34 177.83 1xyd h GLU 86 N 0.00 0.33 -0.52 1.57 4.81 0.14 -3.02 114.58 117.89 1xyd h GLU 86 Ca -0.56 -0.16 -0.08 0.00 -0.13 0.00 0.00 59.36 58.43 1xyd h GLU 86 Cb 2.06 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 31.42 1xyd h GLU 86 CO -0.03 0.70 0.02 0.74 -0.73 0.00 0.00 179.01 179.71 1xyd h PHE 87 N -0.04 0.98 -0.00 0.92 -1.00 -1.47 -1.92 116.94 114.42 1xyd h PHE 87 Ca 0.03 -0.16 0.00 0.00 2.81 0.00 0.00 57.97 60.64 1xyd h PHE 87 Cb 0.63 -0.26 -0.00 0.00 3.61 0.00 0.00 35.95 39.93 1xyd h PHE 87 CO 0.08 0.90 0.22 0.35 -1.61 0.00 0.00 178.31 178.25 1xyd h PHE 88 N 0.78 0.00 0.00 -0.55 3.57 -1.62 0.27 116.94 119.39 1xyd h PHE 88 Ca 0.15 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.65 1xyd h PHE 88 Cb 0.49 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.23 1xyd h PHE 88 CO 0.04 0.00 -1.51 0.39 -2.23 0.00 0.00 178.31 174.99 1xyd n GLU 89 N -2.96 0.43 -1.72 1.11 1.02 -0.77 -4.84 120.64 112.90 1xyd n GLU 89 Ca -0.02 -0.09 -0.39 0.00 -0.02 0.00 0.00 57.16 56.63 1xyd n GLU 89 Cb 0.28 -1.55 -0.03 0.00 -0.02 0.00 0.00 31.44 30.12 1xyd n GLU 89 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1xyd s HIS 90 N -3.32 1.31 -2.00 -0.32 3.76 0.93 -5.12 115.29 110.53 1xyd s HIS 90 Ca -0.01 1.07 0.21 0.00 -0.15 0.00 0.00 55.06 56.18 1xyd s HIS 90 Cb 0.14 -3.83 1.25 0.00 1.11 0.00 0.00 32.58 31.26 1xyd s HIS 90 CO 0.87 -2.87 1.64 -1.91 -0.85 0.00 0.00 174.74 171.62