#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xyd s SER 1 N 0.00 6.96 0.47 7.83 1.04 -1.26 -4.83 113.70 123.91 1xyd s SER 1 Ca 0.00 -2.80 0.22 0.00 0.48 0.00 0.00 55.95 53.86 1xyd s SER 1 Cb 0.00 -2.36 1.24 0.00 0.10 0.00 0.00 66.02 65.00 1xyd s SER 1 CO 0.00 -0.75 1.89 -0.33 0.98 0.00 0.00 173.24 175.03 1xyd h GLU 2 N 7.60 0.23 0.00 4.02 5.08 -2.07 0.47 114.58 129.90 1xyd h GLU 2 Ca 0.24 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1xyd h GLU 2 Cb 0.93 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.13 1xyd h GLU 2 CO 1.13 0.15 0.00 -0.07 -1.00 0.00 0.00 179.01 179.22 1xyd h LEU 3 N 0.24 0.00 -0.56 1.33 -0.00 -2.00 -2.95 115.31 111.36 1xyd h LEU 3 Ca 0.41 0.00 -0.15 0.00 -0.00 0.00 0.00 57.88 58.14 1xyd h LEU 3 Cb 1.26 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.91 1xyd h LEU 3 CO -0.10 0.00 -0.51 -0.08 -0.00 0.00 0.00 178.44 177.76 1xyd h GLU 4 N 0.00 0.56 -0.06 1.13 4.22 -0.46 -2.39 114.58 117.59 1xyd h GLU 4 Ca 0.00 -0.34 -0.06 0.00 0.08 0.00 0.00 59.36 59.05 1xyd h GLU 4 Cb 0.57 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1xyd h GLU 4 CO 0.00 0.94 -0.18 0.87 -2.18 0.00 0.00 179.01 178.46 1xyd h LYS 5 N 0.44 0.23 0.44 1.92 1.57 -1.55 -2.82 116.57 116.80 1xyd h LYS 5 Ca 0.02 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.62 1xyd h LYS 5 Cb 1.04 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.37 1xyd h LYS 5 CO 0.10 0.79 -0.32 0.00 -0.57 0.00 0.00 179.45 179.45 1xyd h ALA 6 N 0.44 -0.75 -0.93 3.86 0.00 -1.54 0.34 119.26 120.68 1xyd h ALA 6 Ca -0.01 -0.14 0.16 0.00 0.00 0.00 0.00 54.91 54.93 1xyd h ALA 6 Cb 0.80 0.42 -0.08 0.00 0.00 0.00 0.00 17.79 18.94 1xyd h ALA 6 CO 0.04 -0.95 0.59 0.52 0.00 0.00 0.00 179.25 179.46 1xyd h MET 7 N -0.74 0.67 -0.05 0.00 2.86 -1.53 -0.30 114.93 115.83 1xyd h MET 7 Ca -0.04 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.53 1xyd h MET 7 Cb 0.63 -0.15 -0.00 0.00 0.06 0.00 0.00 31.60 32.14 1xyd h MET 7 CO 0.01 0.44 -0.05 0.28 1.06 0.00 0.00 176.91 178.65 1xyd h VAL 8 N 0.69 1.38 -0.76 -2.22 2.07 -1.11 -1.71 116.25 114.60 1xyd h VAL 8 Ca 0.48 -1.23 0.12 0.00 0.82 0.00 0.00 66.70 66.90 1xyd h VAL 8 Cb 0.81 2.09 -0.05 0.00 -1.52 0.00 0.00 31.29 32.62 1xyd h VAL 8 CO -0.24 0.33 0.50 0.00 0.02 0.00 0.00 177.57 178.19 1xyd h ALA 9 N 0.54 1.94 0.08 1.67 0.00 0.91 -2.73 119.26 121.67 1xyd h ALA 9 Ca 0.01 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 1xyd h ALA 9 Cb 0.57 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.26 1xyd h ALA 9 CO 0.01 -0.12 -0.54 -0.07 0.00 0.00 0.00 179.25 178.53 1xyd h LEU 10 N 0.56 0.33 -0.80 0.00 4.07 -1.00 -3.16 115.31 115.30 1xyd h LEU 10 Ca 0.36 -0.94 0.18 0.00 0.08 0.00 0.00 57.88 57.56 1xyd h LEU 10 Cb 0.65 -0.11 -0.15 0.00 1.08 0.00 0.00 40.66 42.13 1xyd h LEU 10 CO -0.13 1.24 -0.09 0.40 -1.08 0.00 0.00 178.44 178.78 1xyd h ILE 11 N -0.53 0.24 -0.11 1.22 1.08 -0.99 3.27 117.51 121.69 1xyd h ILE 11 Ca -0.09 -0.02 -0.01 0.00 -0.39 0.00 0.00 64.86 64.35 1xyd h ILE 11 Cb 1.40 0.19 -0.00 0.00 -3.07 0.00 0.00 36.82 35.33 1xyd h ILE 11 CO 0.10 0.01 0.02 -0.78 -0.69 0.00 0.00 178.15 176.81 1xyd h ASP 12 N 0.04 0.18 0.72 1.72 1.82 -1.67 -0.18 116.42 119.06 1xyd h ASP 12 Ca 0.42 -0.26 -0.08 0.00 -0.39 0.00 0.00 57.03 56.73 1xyd h ASP 12 Cb 0.72 -0.05 -0.01 0.00 0.68 0.00 0.00 39.33 40.67 1xyd h ASP 12 CO -0.77 0.39 -0.37 0.58 -1.61 0.00 0.00 179.24 177.47 1xyd h VAL 13 N -0.04 0.94 0.03 2.25 2.07 -0.86 0.20 116.25 120.84 1xyd h VAL 13 Ca 0.03 -1.44 -0.00 0.00 0.82 0.00 0.00 66.70 66.11 1xyd h VAL 13 Cb 0.29 1.86 0.00 0.00 -1.52 0.00 0.00 31.29 31.92 1xyd h VAL 13 CO 0.00 0.36 -0.01 0.15 0.02 0.00 0.00 177.57 178.09 1xyd h PHE 14 N 0.00 -0.03 -0.00 1.57 3.57 0.62 -2.87 116.94 119.79 1xyd h PHE 14 Ca -0.00 -0.00 -0.17 0.00 3.53 0.00 0.00 57.97 61.32 1xyd h PHE 14 Cb 0.83 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.56 1xyd h PHE 14 CO 0.00 0.55 -0.80 1.25 -2.23 0.00 0.00 178.31 177.08 1xyd h HIS 15 N -0.65 0.07 -0.29 0.41 2.76 -1.02 -0.27 115.15 116.16 1xyd h HIS 15 Ca -0.00 -0.04 -0.03 0.00 -2.20 0.00 0.00 60.37 58.09 1xyd h HIS 15 Cb 0.60 -0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.54 1xyd h HIS 15 CO 0.13 0.83 0.05 1.96 -1.30 0.00 0.00 177.93 179.60 1xyd h GLN 16 N 0.03 0.49 0.00 5.26 1.08 -1.03 0.16 115.11 121.10 1xyd h GLN 16 Ca -0.02 -0.13 -0.05 0.00 -1.45 0.00 0.00 58.65 57.00 1xyd h GLN 16 Cb 1.41 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 28.77 1xyd h GLN 16 CO 0.11 0.59 -0.42 1.88 -0.95 0.00 0.00 178.83 180.04 1xyd h TYR 17 N 0.31 0.00 -0.53 2.96 -1.99 -1.56 -2.07 116.97 114.09 1xyd h TYR 17 Ca 0.09 0.00 0.15 0.00 2.00 0.00 0.00 58.73 60.97 1xyd h TYR 17 Cb 0.34 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.05 1xyd h TYR 17 CO 0.02 0.55 0.47 0.66 -0.00 0.00 0.00 178.16 179.87 1xyd h SER 18 N -1.00 0.00 -0.27 3.88 4.64 -1.16 0.78 113.55 120.42 1xyd h SER 18 Ca -0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 1xyd h SER 18 Cb 0.65 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 1xyd h SER 18 CO -0.05 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.52 1xyd n GLY 19 N -1.56 1.24 0.21 -0.77 0.00 0.55 -3.02 105.19 101.84 1xyd n GLY 19 Ca 0.10 -0.65 -0.09 0.00 0.00 0.00 0.00 46.02 45.38 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 3.97 0.68 -2.90 1.61 2.43 0.13 -3.47 114.38 116.83 1xyd h ARG 20 Ca 0.00 -0.13 0.08 0.00 -0.81 0.00 0.00 59.98 59.12 1xyd h ARG 20 Cb 0.87 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 30.26 1xyd h ARG 20 CO 0.00 0.63 0.28 -1.83 -1.51 0.00 0.00 179.97 177.54 1xyd s GLU 21 N -5.52 1.73 1.01 0.20 -1.05 -1.26 -5.10 118.70 108.73 1xyd s GLU 21 Ca -0.13 -0.98 0.00 0.00 -0.15 0.00 0.00 54.97 53.71 1xyd s GLU 21 Cb 0.11 0.58 0.00 0.00 -0.44 0.00 0.00 34.13 34.38 1xyd s GLU 21 CO 0.77 -0.80 0.00 0.41 0.95 0.00 0.00 175.26 176.59 1xyd n GLY 22 N -0.47 -1.35 3.42 -3.83 0.00 -1.26 -4.45 105.19 97.25 1xyd n GLY 22 Ca -0.05 -1.00 -0.48 0.00 0.00 0.00 0.00 46.02 44.49 1xyd n GLY 22 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1xyd n ASP 23 N -3.75 1.03 -4.30 1.61 2.03 -1.26 -4.85 116.55 107.06 1xyd n ASP 23 Ca 0.01 0.30 -0.32 0.00 0.52 0.00 0.00 54.79 55.30 1xyd n ASP 23 Cb 0.34 -1.06 0.17 0.00 -0.72 0.00 0.00 41.12 39.86 1xyd n ASP 23 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1xyd n LYS 24 N 8.19 -1.58 -0.83 -0.67 5.02 -1.26 -2.75 118.16 124.28 1xyd n LYS 24 Ca 0.54 -0.44 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 1xyd n LYS 24 Cb 0.11 -1.73 0.00 0.00 -0.02 0.00 0.00 35.03 33.38 1xyd n LYS 24 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1xyd n HIS 25 N -4.41 0.00 -4.52 2.13 8.25 -1.17 -4.94 115.22 110.56 1xyd n HIS 25 Ca 0.01 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.24 1xyd n HIS 25 Cb 0.61 -0.92 -0.14 0.00 1.12 0.00 0.00 29.99 30.67 1xyd n HIS 25 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1xyd s LYS 26 N -0.75 1.19 -0.20 -0.41 -0.14 -1.11 -4.65 119.74 113.67 1xyd s LYS 26 Ca 0.00 -0.86 -0.16 0.00 -1.36 0.00 0.00 55.97 53.58 1xyd s LYS 26 Cb 0.00 -1.27 -0.04 0.00 -1.68 0.00 0.00 37.83 34.84 1xyd s LYS 26 CO 0.00 0.32 0.42 -1.17 -0.76 0.00 0.00 175.35 174.16 1xyd s LEU 27 N -1.16 4.16 0.23 3.17 0.20 -1.21 -4.35 118.68 119.71 1xyd s LEU 27 Ca 0.05 0.55 0.08 0.00 0.69 0.00 0.00 54.13 55.50 1xyd s LEU 27 Cb -0.08 -2.55 -0.04 0.00 -0.43 0.00 0.00 46.19 43.09 1xyd s LEU 27 CO 0.02 -0.09 0.04 -0.54 -0.29 0.00 0.00 176.35 175.49 1xyd s LYS 28 N 1.35 2.48 0.25 1.98 1.02 -1.26 -2.15 119.74 123.41 1xyd s LYS 28 Ca 0.20 -1.22 -0.04 0.00 0.02 0.00 0.00 55.97 54.93 1xyd s LYS 28 Cb -0.15 -2.33 0.50 0.00 -0.52 0.00 0.00 37.83 35.33 1xyd s LYS 28 CO 0.08 0.41 1.68 -0.22 -0.92 0.00 0.00 175.35 176.38 1xyd h LYS 29 N 2.11 0.27 -0.01 1.68 3.64 -1.97 2.09 116.57 124.38 1xyd h LYS 29 Ca -0.46 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1xyd h LYS 29 Cb 1.23 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1xyd h LYS 29 CO 0.60 0.18 0.13 0.77 -2.27 0.00 0.00 179.45 178.86 1xyd h SER 30 N 0.28 0.00 0.08 4.20 0.02 -1.98 0.46 113.55 116.61 1xyd h SER 30 Ca 0.43 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 61.17 1xyd h SER 30 Cb 0.76 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.25 1xyd h SER 30 CO -0.52 0.00 -2.15 -0.62 -1.14 0.00 0.00 176.83 172.40 1xyd n GLU 31 N -3.04 0.67 -0.06 3.45 1.02 0.63 -3.26 120.64 120.06 1xyd n GLU 31 Ca -0.02 -0.05 -0.03 0.00 -0.02 0.00 0.00 57.16 57.04 1xyd n GLU 31 Cb 0.19 -1.55 -0.02 0.00 -0.02 0.00 0.00 31.44 30.04 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 0.00 0.00 -1.17 -4.62 6.46 0.37 -1.61 115.31 114.74 1xyd h LEU 32 Ca -0.31 -0.13 -0.04 0.00 -0.12 0.00 0.00 57.88 57.28 1xyd h LEU 32 Cb 1.74 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 41.65 1xyd h LEU 32 CO 0.02 0.60 0.16 0.50 -0.62 0.00 0.00 178.44 179.11 1xyd h LYS 33 N -1.00 0.75 -0.01 1.25 3.11 -0.48 0.21 116.57 120.41 1xyd h LYS 33 Ca -0.01 -0.13 -0.15 0.00 -2.81 0.00 0.00 60.65 57.56 1xyd h LYS 33 Cb 0.19 -0.13 -0.02 0.00 -1.00 0.00 0.00 32.23 31.28 1xyd h LYS 33 CO -0.00 0.65 -0.69 1.49 -2.81 0.00 0.00 179.45 178.08 1xyd h GLU 34 N 0.74 0.04 -0.03 1.90 4.81 -1.64 -2.43 114.58 117.97 1xyd h GLU 34 Ca 0.17 -0.03 -0.20 0.00 -0.13 0.00 0.00 59.36 59.16 1xyd h GLU 34 Cb 0.21 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.59 1xyd h GLU 34 CO -0.01 0.72 -0.85 1.25 -0.73 0.00 0.00 179.01 179.39 1xyd h LEU 35 N 0.03 0.44 -0.42 1.64 5.85 -0.56 -1.51 115.31 120.77 1xyd h LEU 35 Ca -0.01 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.38 1xyd h LEU 35 Cb 1.23 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.11 1xyd h LEU 35 CO 0.09 1.10 0.28 0.40 -0.34 0.00 0.00 178.44 179.97 1xyd h ILE 36 N 0.21 1.11 0.00 4.05 1.08 -0.40 0.64 117.51 124.21 1xyd h ILE 36 Ca -0.05 -0.20 -0.05 0.00 -0.39 0.00 0.00 64.86 64.17 1xyd h ILE 36 Cb 1.46 0.50 -0.01 0.00 -3.07 0.00 0.00 36.82 35.70 1xyd h ILE 36 CO 0.14 0.10 -0.24 -1.13 -0.69 0.00 0.00 178.15 176.34 1xyd h ASN 37 N 0.56 0.00 0.04 1.72 -0.00 -1.41 -1.63 115.58 114.87 1xyd h ASN 37 Ca 0.15 0.00 -0.37 0.00 -0.00 0.00 0.00 56.30 56.09 1xyd h ASN 37 Cb -0.06 0.00 -0.05 0.00 -0.00 0.00 0.00 38.32 38.21 1xyd h ASN 37 CO -0.03 0.22 -2.09 -3.20 -0.00 0.00 0.00 177.43 172.32 1xyd n ASN 38 N -3.15 2.00 -0.02 1.15 5.15 -0.57 -4.48 115.26 115.34 1xyd n ASN 38 Ca 0.03 0.18 -0.03 0.00 -0.60 0.00 0.00 54.58 54.16 1xyd n ASN 38 Cb 0.62 -0.75 -0.01 0.00 -0.53 0.00 0.00 39.78 39.11 1xyd n ASN 38 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 1xyd n GLU 39 N -3.76 0.20 -0.00 1.20 4.07 0.19 -4.52 120.64 118.01 1xyd n GLU 39 Ca -0.40 0.08 0.00 0.00 -0.06 0.00 0.00 57.16 56.78 1xyd n GLU 39 Cb 0.93 -0.78 0.00 0.00 -0.06 0.00 0.00 31.44 31.53 1xyd n GLU 39 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 1xyd n LEU 40 N -3.51 1.83 0.06 4.31 7.99 -1.05 -3.32 117.00 123.31 1xyd n LEU 40 Ca -0.05 -0.91 0.11 0.00 -0.01 0.00 0.00 56.01 55.15 1xyd n LEU 40 Cb 0.20 -0.31 0.03 0.00 -0.11 0.00 0.00 43.42 43.23 1xyd n LEU 40 CO 0.08 0.31 0.02 -1.54 -1.51 0.00 0.00 177.39 174.74 1xyd n SER 41 N 0.71 0.65 0.06 -1.43 3.41 -0.61 -1.80 113.62 114.60 1xyd n SER 41 Ca 0.00 0.05 0.06 0.00 -0.26 0.00 0.00 58.87 58.72 1xyd n SER 41 Cb 0.30 0.65 -0.06 0.00 -0.26 0.00 0.00 64.21 64.85 1xyd n SER 41 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1xyd n HIS 42 N -2.24 0.86 -0.01 7.33 8.25 -1.21 -4.28 115.22 123.91 1xyd n HIS 42 Ca 0.01 0.27 0.03 0.00 -0.26 0.00 0.00 57.72 57.76 1xyd n HIS 42 Cb 0.48 -0.98 -0.07 0.00 1.12 0.00 0.00 29.99 30.54 1xyd n HIS 42 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1xyd n PHE 43 N -2.74 0.00 -4.54 4.41 3.01 -1.26 -4.96 117.46 111.38 1xyd n PHE 43 Ca -0.06 0.00 -0.34 0.00 1.01 0.00 0.00 57.45 58.07 1xyd n PHE 43 Cb 0.70 -0.28 -0.12 0.00 -0.01 0.00 0.00 39.48 39.78 1xyd n PHE 43 CO 0.00 0.00 0.00 -1.17 1.01 0.00 0.00 176.76 176.60 1xyd s LEU 44 N -3.92 3.18 0.19 4.37 2.96 -0.75 -5.06 118.68 119.66 1xyd s LEU 44 Ca -0.04 -0.08 -0.32 0.00 -0.22 0.00 0.00 54.13 53.48 1xyd s LEU 44 Cb 0.05 -1.72 -0.15 0.00 0.50 0.00 0.00 46.19 44.87 1xyd s LEU 44 CO 0.39 0.28 1.15 1.21 -1.32 0.00 0.00 176.35 178.05 1xyd n GLU 45 N 2.81 1.23 -1.54 1.98 2.13 -1.26 -4.34 120.64 121.65 1xyd n GLU 45 Ca -0.18 0.44 -0.27 0.00 0.66 0.00 0.00 57.16 57.80 1xyd n GLU 45 Cb 0.53 -1.92 -0.07 0.00 0.27 0.00 0.00 31.44 30.25 1xyd n GLU 45 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1xyd n GLU 46 N 1.61 0.68 -2.22 5.31 1.02 -1.26 -4.88 120.64 120.91 1xyd n GLU 46 Ca 0.14 -0.30 -0.42 0.00 -0.02 0.00 0.00 57.16 56.56 1xyd n GLU 46 Cb 0.26 -3.15 -0.03 0.00 -0.02 0.00 0.00 31.44 28.51 1xyd n GLU 46 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1xyd s ILE 47 N 11.91 3.74 -0.24 -3.67 1.01 -1.26 -4.85 121.20 127.84 1xyd s ILE 47 Ca 1.03 1.10 0.10 0.00 0.00 0.00 0.00 60.65 62.87 1xyd s ILE 47 Cb -0.32 -3.71 -0.13 0.00 0.01 0.00 0.00 42.46 38.32 1xyd s ILE 47 CO 0.25 -0.02 0.31 0.29 0.00 0.00 0.00 174.94 175.77 1xyd n LYS 48 N 5.60 2.19 -4.49 2.79 5.02 -1.26 -4.72 118.16 123.29 1xyd n LYS 48 Ca 0.13 -0.04 -0.34 0.00 -2.02 0.00 0.00 58.31 56.05 1xyd n LYS 48 Cb 0.44 -1.08 -0.12 0.00 -0.02 0.00 0.00 35.03 34.25 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 -2.26 3.33 0.55 1.97 8.01 -1.26 -4.98 118.70 124.06 1xyd s GLU 49 Ca 0.00 -0.53 0.35 0.00 0.01 0.00 0.00 54.97 54.80 1xyd s GLU 49 Cb 0.07 -2.79 1.47 0.00 -4.31 0.00 0.00 34.13 28.57 1xyd s GLU 49 CO 0.39 0.40 2.02 1.96 0.01 0.00 0.00 175.26 180.04 1xyd h GLN 50 N 6.15 0.00 -0.99 1.61 4.20 -1.99 -3.24 115.11 120.86 1xyd h GLN 50 Ca -0.37 0.00 0.35 0.00 0.06 0.00 0.00 58.65 58.69 1xyd h GLN 50 Cb 1.19 0.00 -0.18 0.00 0.30 0.00 0.00 27.48 28.79 1xyd h GLN 50 CO 0.59 0.00 0.34 0.93 -0.67 0.00 0.00 178.83 180.02 1xyd h GLU 51 N 0.00 0.03 -0.22 1.46 5.08 -1.97 2.46 114.58 121.42 1xyd h GLU 51 Ca 0.00 -0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.18 1xyd h GLU 51 Cb 0.45 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 1xyd h GLU 51 CO 0.00 0.02 -0.57 0.28 -1.00 0.00 0.00 179.01 177.73 1xyd h VAL 52 N 0.03 1.30 0.00 3.13 2.07 -1.98 0.13 116.25 120.93 1xyd h VAL 52 Ca 0.74 -1.80 -0.03 0.00 0.82 0.00 0.00 66.70 66.43 1xyd h VAL 52 Cb 1.81 1.75 -0.00 0.00 -1.52 0.00 0.00 31.29 33.32 1xyd h VAL 52 CO -0.81 0.57 -0.15 0.58 0.02 0.00 0.00 177.57 177.78 1xyd h VAL 53 N 0.52 0.48 0.06 2.57 2.07 0.33 1.77 116.25 124.04 1xyd h VAL 53 Ca 0.00 -0.74 -0.24 0.00 0.82 0.00 0.00 66.70 66.55 1xyd h VAL 53 Cb 1.15 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 32.43 1xyd h VAL 53 CO 0.12 0.14 -1.07 0.44 0.02 0.00 0.00 177.57 177.22 1xyd h ASP 54 N 0.00 0.43 0.19 0.57 3.32 0.29 -2.61 116.42 118.61 1xyd h ASP 54 Ca -0.00 -0.40 -0.34 0.00 0.02 0.00 0.00 57.03 56.31 1xyd h ASP 54 Cb 0.49 -0.13 0.01 0.00 0.22 0.00 0.00 39.33 39.92 1xyd h ASP 54 CO 0.02 1.24 -1.66 0.50 -1.72 0.00 0.00 179.24 177.62 1xyd h LYS 55 N 0.14 0.40 -0.84 3.56 3.11 0.18 -3.16 116.57 119.95 1xyd h LYS 55 Ca -0.10 -0.68 0.00 0.00 -2.81 0.00 0.00 60.65 57.07 1xyd h LYS 55 Cb 1.74 0.25 -0.04 0.00 -1.00 0.00 0.00 32.23 33.19 1xyd h LYS 55 CO 0.18 1.33 0.54 -0.24 -2.81 0.00 0.00 179.45 178.44 1xyd h VAL 56 N 0.05 1.22 -0.23 2.00 3.04 0.26 -0.38 116.25 122.22 1xyd h VAL 56 Ca -0.33 -0.43 -0.06 0.00 -1.01 0.00 0.00 66.70 64.87 1xyd h VAL 56 Cb 2.06 -0.00 -0.01 0.00 -2.01 0.00 0.00 31.29 31.33 1xyd h VAL 56 CO 0.18 0.22 -0.10 0.24 -1.01 0.00 0.00 177.57 177.10 1xyd h MET 57 N 1.15 0.37 -0.18 4.17 2.86 -1.57 0.21 114.93 121.95 1xyd h MET 57 Ca 0.31 -0.09 -0.11 0.00 -2.06 0.00 0.00 59.70 57.75 1xyd h MET 57 Cb -0.10 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.50 1xyd h MET 57 CO -0.06 0.48 -0.36 0.93 1.06 0.00 0.00 176.91 178.97 1xyd h GLU 58 N 0.35 0.37 0.00 1.72 4.39 -1.06 1.80 114.58 122.16 1xyd h GLU 58 Ca 0.07 -0.17 -0.19 0.00 0.34 0.00 0.00 59.36 59.42 1xyd h GLU 58 Cb 0.40 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.01 1xyd h GLU 58 CO 0.02 0.68 -1.04 1.15 -1.16 0.00 0.00 179.01 178.67 1xyd h THR 59 N 0.32 1.18 0.01 1.13 2.02 -0.55 -3.38 112.91 113.65 1xyd h THR 59 Ca 0.04 -2.79 -0.39 0.00 0.77 0.00 0.00 66.41 64.03 1xyd h THR 59 Cb 0.78 2.56 -0.06 0.00 -1.74 0.00 0.00 68.15 69.69 1xyd h THR 59 CO 0.06 0.67 -2.23 0.18 0.37 0.00 0.00 175.52 174.57 1xyd n LEU 60 N -3.21 2.29 -4.54 2.58 7.99 0.65 -4.81 117.00 117.95 1xyd n LEU 60 Ca -0.03 0.21 -0.39 0.00 -0.01 0.00 0.00 56.01 55.79 1xyd n LEU 60 Cb 0.89 -0.91 -0.05 0.00 -0.11 0.00 0.00 43.42 43.24 1xyd n LEU 60 CO 0.44 0.65 2.01 -0.67 -1.51 0.00 0.00 177.39 178.32 1xyd n ASP 61 N -3.94 2.11 -0.03 -1.43 2.03 0.61 -4.72 116.55 111.18 1xyd n ASP 61 Ca -0.46 -0.21 -0.22 0.00 0.52 0.00 0.00 54.79 54.42 1xyd n ASP 61 Cb 0.90 -1.45 -0.13 0.00 -0.72 0.00 0.00 41.12 39.72 1xyd n ASP 61 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1xyd n GLU 62 N 8.81 0.70 0.00 -0.67 -0.58 -1.26 -3.64 120.64 123.99 1xyd n GLU 62 Ca 0.41 0.37 0.12 0.00 -0.42 0.00 0.00 57.16 57.65 1xyd n GLU 62 Cb 0.42 -1.72 0.68 0.00 -0.57 0.00 0.00 31.44 30.25 1xyd n GLU 62 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 1xyd n ASP 63 N -3.81 0.00 -3.68 1.62 5.68 -1.26 -4.85 116.55 110.24 1xyd n ASP 63 Ca -0.32 -0.41 -0.24 0.00 -0.50 0.00 0.00 54.79 53.32 1xyd n ASP 63 Cb 0.92 -0.15 0.06 0.00 -1.14 0.00 0.00 41.12 40.81 1xyd n ASP 63 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1xyd n GLY 64 N 0.70 -0.47 0.26 6.12 0.00 -1.24 -4.85 105.19 105.71 1xyd n GLY 64 Ca 0.15 0.20 0.12 0.00 0.00 0.00 0.00 46.02 46.49 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 -2.99 1.18 0.00 1.61 5.75 -1.26 -4.90 116.55 115.94 1xyd n ASP 65 Ca -0.07 -0.96 0.00 0.00 -0.01 0.00 0.00 54.79 53.75 1xyd n ASP 65 Cb 0.58 0.25 0.00 0.00 -1.03 0.00 0.00 41.12 40.92 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 1.38 0.85 3.29 6.12 0.00 -1.26 -4.98 105.19 110.59 1xyd n GLY 66 Ca 0.11 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.03 1.35 -0.42 1.61 2.02 -1.26 -4.69 118.70 117.29 1xyd s GLU 67 Ca 0.00 -1.72 0.04 0.00 0.02 0.00 0.00 54.97 53.30 1xyd s GLU 67 Cb 0.00 -0.18 0.11 0.00 0.10 0.00 0.00 34.13 34.16 1xyd s GLU 67 CO 0.00 -0.30 0.15 0.00 0.02 0.00 0.00 175.26 175.13 1xyd n ASP 69 N 3.76 -2.40 0.26 0.00 8.00 -1.26 -3.32 116.55 121.60 1xyd n ASP 69 Ca 0.04 -0.28 -0.11 0.00 0.71 0.00 0.00 54.79 55.15 1xyd n ASP 69 Cb 0.37 -0.39 -0.05 0.00 -0.02 0.00 0.00 41.12 41.03 1xyd n ASP 69 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1xyd h PHE 70 N -2.38 -0.66 -1.01 1.24 3.04 -1.98 0.10 116.94 115.29 1xyd h PHE 70 Ca -0.13 -0.02 0.33 0.00 3.98 0.00 0.00 57.97 62.13 1xyd h PHE 70 Cb 0.43 0.22 -0.15 0.00 2.56 0.00 0.00 35.95 39.01 1xyd h PHE 70 CO 0.00 -0.41 0.58 -0.56 -2.02 0.00 0.00 178.31 175.90 1xyd h GLN 71 N -1.13 0.30 0.09 1.11 -0.00 -2.00 0.19 115.11 113.67 1xyd h GLN 71 Ca -0.07 -0.02 -0.35 0.00 -0.00 0.00 0.00 58.65 58.21 1xyd h GLN 71 Cb 0.55 -0.07 -0.03 0.00 -0.00 0.00 0.00 27.48 27.93 1xyd h GLN 71 CO 0.12 0.20 -1.93 -0.85 -0.00 0.00 0.00 178.83 176.36 1xyd n GLU 72 N -5.03 0.73 -0.25 0.06 0.28 -1.24 -3.30 120.64 111.89 1xyd n GLU 72 Ca 0.32 0.27 0.03 0.00 -0.16 0.00 0.00 57.16 57.62 1xyd n GLU 72 Cb 1.01 -1.73 0.15 0.00 1.43 0.00 0.00 31.44 32.31 1xyd n GLU 72 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 1xyd h PHE 73 N 0.05 0.56 -0.56 -1.84 3.57 0.76 0.55 116.94 120.02 1xyd h PHE 73 Ca -0.39 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.16 1xyd h PHE 73 Cb 2.03 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 40.60 1xyd h PHE 73 CO 0.06 0.15 0.35 1.98 -2.23 0.00 0.00 178.31 178.61 1xyd h MET 74 N 0.52 0.68 -0.12 1.11 4.05 -0.82 0.16 114.93 120.51 1xyd h MET 74 Ca 0.37 -0.04 0.03 0.00 -0.28 0.00 0.00 59.70 59.78 1xyd h MET 74 Cb 0.48 -0.15 -0.00 0.00 -0.80 0.00 0.00 31.60 31.12 1xyd h MET 74 CO -0.33 0.45 0.52 0.00 0.23 0.00 0.00 176.91 177.78 1xyd h ALA 75 N 1.23 1.66 0.00 0.39 0.00 0.08 0.24 119.26 122.87 1xyd h ALA 75 Ca 0.22 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1xyd h ALA 75 Cb -0.02 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1xyd h ALA 75 CO -0.08 -0.58 -0.02 0.35 0.00 0.00 0.00 179.25 178.92 1xyd h PHE 76 N 0.00 0.02 -0.98 0.00 3.57 -0.05 -2.13 116.94 117.37 1xyd h PHE 76 Ca 0.06 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.63 1xyd h PHE 76 Cb 1.09 -0.00 -0.07 0.00 2.79 0.00 0.00 35.95 39.75 1xyd h PHE 76 CO 0.00 0.82 0.62 0.28 -2.23 0.00 0.00 178.31 177.80 1xyd h VAL 77 N -0.78 1.00 0.00 1.41 2.07 -0.51 0.41 116.25 119.85 1xyd h VAL 77 Ca -0.00 -0.36 -0.04 0.00 0.82 0.00 0.00 66.70 67.11 1xyd h VAL 77 Cb 0.83 -0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 1xyd h VAL 77 CO 0.00 0.19 -0.21 0.77 0.02 0.00 0.00 177.57 178.35 1xyd h SER 78 N 1.06 0.00 0.56 0.57 4.64 -1.34 0.38 113.55 119.42 1xyd h SER 78 Ca 0.45 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.63 1xyd h SER 78 Cb 0.32 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.39 1xyd h SER 78 CO -0.22 0.21 -0.67 -0.03 -0.87 0.00 0.00 176.83 175.25 1xyd h MET 79 N 0.00 0.09 0.05 4.77 -1.53 0.48 0.57 114.93 119.37 1xyd h MET 79 Ca -0.00 -0.07 -0.29 0.00 -3.44 0.00 0.00 59.70 55.89 1xyd h MET 79 Cb 0.61 0.01 -0.03 0.00 -0.55 0.00 0.00 31.60 31.65 1xyd h MET 79 CO 0.03 0.73 -1.56 -0.39 0.14 0.00 0.00 176.91 175.85 1xyd h VAL 80 N 0.07 1.07 -0.65 -5.77 -1.51 -0.64 -3.15 116.25 105.67 1xyd h VAL 80 Ca -0.01 -2.82 -0.08 0.00 -1.23 0.00 0.00 66.70 62.56 1xyd h VAL 80 Cb 1.19 2.61 -0.02 0.00 -2.13 0.00 0.00 31.29 32.94 1xyd h VAL 80 CO 0.09 0.73 0.08 0.74 -1.23 0.00 0.00 177.57 177.98 1xyd h THR 81 N 0.03 1.26 -0.77 7.19 2.02 -0.06 -2.61 112.91 119.97 1xyd h THR 81 Ca -0.24 -1.06 0.03 0.00 0.77 0.00 0.00 66.41 65.91 1xyd h THR 81 Cb 1.98 0.69 -0.05 0.00 -1.74 0.00 0.00 68.15 69.03 1xyd h THR 81 CO 0.12 0.39 0.50 0.71 0.37 0.00 0.00 175.52 177.61 1xyd h THR 82 N 1.00 1.13 -0.95 3.16 1.35 0.11 -0.84 112.91 117.86 1xyd h THR 82 Ca 0.19 -0.33 0.04 0.00 -0.55 0.00 0.00 66.41 65.76 1xyd h THR 82 Cb 0.47 0.07 -0.06 0.00 -1.73 0.00 0.00 68.15 66.90 1xyd h THR 82 CO 0.02 0.18 0.62 0.00 -0.25 0.00 0.00 175.52 176.08 1xyd h ALA 83 N 1.32 1.28 0.00 6.62 0.00 -1.43 0.88 119.26 127.92 1xyd h ALA 83 Ca 0.31 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1xyd h ALA 83 Cb -0.01 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.46 1xyd h ALA 83 CO -0.10 0.47 0.00 0.00 0.00 0.00 0.00 179.25 179.62 1xyd n HIS 85 N -2.51 0.06 0.07 0.00 -0.00 0.19 -3.84 115.22 109.19 1xyd n HIS 85 Ca -0.01 0.02 -0.14 0.00 -0.00 0.00 0.00 57.72 57.59 1xyd n HIS 85 Cb 0.11 -1.01 -0.06 0.00 -0.00 0.00 0.00 29.99 29.03 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 0.42 0.20 1.57 4.81 0.11 -2.10 114.58 119.60 1xyd h GLU 86 Ca -0.55 -0.48 -0.01 0.00 -0.13 0.00 0.00 59.36 58.19 1xyd h GLU 86 Cb 2.08 0.14 0.00 0.00 0.63 0.00 0.00 28.75 31.61 1xyd h GLU 86 CO -0.02 1.15 -0.10 0.35 -0.73 0.00 0.00 179.01 179.66 1xyd h PHE 87 N 0.22 -0.25 0.04 0.92 3.57 -0.68 -0.34 116.94 120.43 1xyd h PHE 87 Ca -0.09 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.40 1xyd h PHE 87 Cb 1.65 0.08 0.00 0.00 2.79 0.00 0.00 35.95 40.47 1xyd h PHE 87 CO 0.07 0.05 -0.02 0.35 -2.23 0.00 0.00 178.31 176.52 1xyd h PHE 88 N -0.55 -0.05 -0.13 0.41 3.04 -1.67 -1.79 116.94 116.21 1xyd h PHE 88 Ca -0.03 -0.00 -0.05 0.00 3.98 0.00 0.00 57.97 61.87 1xyd h PHE 88 Cb 0.41 0.02 -0.03 0.00 2.56 0.00 0.00 35.95 38.91 1xyd h PHE 88 CO 0.02 0.03 0.06 -1.91 -2.02 0.00 0.00 178.31 174.49 1xyd n GLU 89 N -5.08 1.34 -1.98 1.11 2.13 -0.79 -4.83 120.64 112.55 1xyd n GLU 89 Ca -0.08 -0.47 -0.38 0.00 0.66 0.00 0.00 57.16 56.89 1xyd n GLU 89 Cb 0.08 -1.34 -0.03 0.00 0.27 0.00 0.00 31.44 30.42 1xyd n GLU 89 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 1xyd s HIS 90 N -0.79 1.60 -2.00 4.31 2.46 -0.14 -4.93 115.29 115.80 1xyd s HIS 90 Ca 0.09 0.88 0.17 0.00 0.47 0.00 0.00 55.06 56.66 1xyd s HIS 90 Cb 0.07 -4.03 0.99 0.00 -0.13 0.00 0.00 32.58 29.48 1xyd s HIS 90 CO 0.02 -2.37 1.39 -1.91 -2.47 0.00 0.00 174.74 169.40