#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 5.37 -0.07 6.12 2.88 -1.26 -4.80 113.62 121.85 1xyd n SER 1 Ca 0.00 -3.03 0.24 0.00 -1.33 0.00 0.00 58.87 54.75 1xyd n SER 1 Cb 0.00 -1.49 0.71 0.00 -0.75 0.00 0.00 64.21 62.68 1xyd n SER 1 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1xyd h GLU 2 N 6.79 0.00 0.00 -1.46 5.08 -2.07 0.37 114.58 123.30 1xyd h GLU 2 Ca 0.27 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.57 1xyd h GLU 2 Cb 0.84 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 1xyd h GLU 2 CO 1.21 0.00 -0.31 1.25 -1.00 0.00 0.00 179.01 180.15 1xyd h LEU 3 N 0.00 0.00 0.04 1.33 7.12 -2.01 -3.13 115.31 118.67 1xyd h LEU 3 Ca 0.32 0.00 -0.00 0.00 0.13 0.00 0.00 57.88 58.33 1xyd h LEU 3 Cb 1.30 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.43 1xyd h LEU 3 CO -0.00 0.31 -0.02 -0.08 -0.13 0.00 0.00 178.44 178.52 1xyd h GLU 4 N 0.00 -0.06 -0.67 1.25 4.81 -0.65 -2.37 114.58 116.89 1xyd h GLU 4 Ca -0.00 0.00 0.11 0.00 -0.13 0.00 0.00 59.36 59.34 1xyd h GLU 4 Cb 0.86 0.01 -0.08 0.00 0.63 0.00 0.00 28.75 30.17 1xyd h GLU 4 CO 0.04 0.22 0.26 0.87 -0.73 0.00 0.00 179.01 179.67 1xyd h LYS 5 N -0.34 0.42 0.27 1.92 6.56 -1.57 0.24 116.57 124.07 1xyd h LYS 5 Ca -0.01 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.56 1xyd h LYS 5 Cb 0.31 -0.09 -0.03 0.00 -0.57 0.00 0.00 32.23 31.84 1xyd h LYS 5 CO 0.01 0.28 -0.34 0.00 -2.06 0.00 0.00 179.45 177.34 1xyd h ALA 6 N 1.47 -0.68 0.00 3.86 0.00 -1.45 1.55 119.26 124.02 1xyd h ALA 6 Ca 0.35 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 1xyd h ALA 6 Cb 0.47 0.50 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1xyd h ALA 6 CO -0.35 -0.92 -0.27 0.00 0.00 0.00 0.00 179.25 177.71 1xyd h MET 7 N -0.66 0.00 0.11 0.00 -0.00 -1.02 -2.29 114.93 111.07 1xyd h MET 7 Ca -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.69 1xyd h MET 7 Cb 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.22 1xyd h MET 7 CO -0.10 0.27 -0.05 0.28 -0.00 0.00 0.00 176.91 177.31 1xyd h VAL 8 N 0.00 0.80 -0.98 -0.10 2.07 -0.13 -2.64 116.25 115.26 1xyd h VAL 8 Ca -0.00 -1.32 0.26 0.00 0.82 0.00 0.00 66.70 66.46 1xyd h VAL 8 Cb 0.53 1.42 -0.06 0.00 -1.52 0.00 0.00 31.29 31.65 1xyd h VAL 8 CO 0.04 0.24 0.68 0.00 0.02 0.00 0.00 177.57 178.54 1xyd h ALA 9 N -0.45 2.60 0.06 1.67 0.00 0.23 -0.73 119.26 122.63 1xyd h ALA 9 Ca -0.01 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.69 1xyd h ALA 9 Cb 0.50 0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.35 1xyd h ALA 9 CO 0.02 -0.91 -0.85 -0.07 0.00 0.00 0.00 179.25 177.45 1xyd h LEU 10 N 0.19 0.64 -1.49 0.00 3.38 -1.44 -3.19 115.31 113.40 1xyd h LEU 10 Ca 0.50 -0.82 0.32 0.00 0.09 0.00 0.00 57.88 57.97 1xyd h LEU 10 Cb 1.63 -0.20 -0.09 0.00 0.09 0.00 0.00 40.66 42.09 1xyd h LEU 10 CO -0.12 1.38 0.75 0.40 0.09 0.00 0.00 178.44 180.95 1xyd h ILE 11 N -0.03 0.41 0.04 1.22 2.04 -0.75 3.03 117.51 123.47 1xyd h ILE 11 Ca -0.12 -0.09 -0.00 0.00 1.00 0.00 0.00 64.86 65.65 1xyd h ILE 11 Cb 1.57 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 37.78 1xyd h ILE 11 CO 0.16 0.05 -0.02 -0.78 0.00 0.00 0.00 178.15 177.56 1xyd h ASP 12 N 0.25 -0.04 1.19 1.72 3.58 -1.54 -1.13 116.42 120.45 1xyd h ASP 12 Ca 0.64 -0.53 -0.11 0.00 0.42 0.00 0.00 57.03 57.46 1xyd h ASP 12 Cb 1.89 0.01 -0.02 0.00 1.72 0.00 0.00 39.33 42.94 1xyd h ASP 12 CO -0.27 0.52 -0.51 0.58 -2.88 0.00 0.00 179.24 176.69 1xyd h VAL 13 N -0.63 0.96 -0.03 2.25 2.07 -0.93 -1.91 116.25 118.02 1xyd h VAL 13 Ca -0.01 -2.08 -0.05 0.00 0.82 0.00 0.00 66.70 65.39 1xyd h VAL 13 Cb 0.57 2.28 0.00 0.00 -1.52 0.00 0.00 31.29 32.62 1xyd h VAL 13 CO 0.01 0.50 -0.18 0.15 0.02 0.00 0.00 177.57 178.07 1xyd h PHE 14 N 0.00 0.24 -0.00 1.57 3.57 0.53 -2.72 116.94 120.14 1xyd h PHE 14 Ca -0.01 -0.11 -0.16 0.00 3.53 0.00 0.00 57.97 61.23 1xyd h PHE 14 Cb 1.24 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.92 1xyd h PHE 14 CO 0.00 0.82 -0.76 1.25 -2.23 0.00 0.00 178.31 177.39 1xyd h HIS 15 N -0.40 0.05 -0.50 0.41 2.76 -1.27 0.97 115.15 117.17 1xyd h HIS 15 Ca -0.01 -0.02 -0.11 0.00 -2.20 0.00 0.00 60.37 58.02 1xyd h HIS 15 Cb 0.84 -0.01 -0.02 0.00 1.55 0.00 0.00 27.41 29.78 1xyd h HIS 15 CO 0.15 0.78 -0.13 1.96 -1.30 0.00 0.00 177.93 179.38 1xyd h GLN 16 N 0.02 0.98 0.00 5.26 1.08 -1.40 0.87 115.11 121.91 1xyd h GLN 16 Ca -0.01 -0.38 -0.05 0.00 -1.45 0.00 0.00 58.65 56.76 1xyd h GLN 16 Cb 1.34 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 28.71 1xyd h GLN 16 CO 0.10 1.05 -0.60 1.88 -0.95 0.00 0.00 178.83 180.31 1xyd h TYR 17 N 0.84 0.00 -0.03 2.96 0.05 -1.50 -2.40 116.97 116.89 1xyd h TYR 17 Ca 0.13 0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.91 1xyd h TYR 17 Cb 0.70 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.43 1xyd h TYR 17 CO 0.05 0.33 0.34 0.77 -1.05 0.00 0.00 178.16 178.60 1xyd h SER 18 N -1.00 0.00 -0.02 3.88 0.02 -0.93 1.12 113.55 116.62 1xyd h SER 18 Ca -0.07 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1xyd h SER 18 Cb 0.63 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.17 1xyd h SER 18 CO -0.04 0.00 -0.30 0.61 -1.14 0.00 0.00 176.83 175.96 1xyd n GLY 19 N -1.24 0.38 0.24 -3.77 0.00 0.30 -3.10 105.19 98.01 1xyd n GLY 19 Ca -0.01 -0.66 -0.07 0.00 0.00 0.00 0.00 46.02 45.28 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 3.25 0.79 -2.72 1.61 2.43 0.19 -3.47 114.38 116.46 1xyd h ARG 20 Ca 0.00 -0.08 0.11 0.00 -0.81 0.00 0.00 59.98 59.20 1xyd h ARG 20 Cb 0.84 -0.16 -0.06 0.00 -0.42 0.00 0.00 29.97 30.17 1xyd h ARG 20 CO 0.00 0.59 0.35 -1.83 -1.51 0.00 0.00 179.97 177.57 1xyd s GLU 21 N -5.93 1.58 0.18 0.20 -1.05 -1.25 -5.10 118.70 107.33 1xyd s GLU 21 Ca -0.13 -0.90 0.00 0.00 -0.15 0.00 0.00 54.97 53.79 1xyd s GLU 21 Cb 0.13 0.52 0.00 0.00 -0.44 0.00 0.00 34.13 34.34 1xyd s GLU 21 CO 0.76 -0.73 0.00 0.41 0.95 0.00 0.00 175.26 176.66 1xyd n GLY 22 N -0.48 -1.77 0.09 -3.83 0.00 -1.26 -4.60 105.19 93.34 1xyd n GLY 22 Ca -0.05 -1.95 -0.03 0.00 0.00 0.00 0.00 46.02 43.99 1xyd n GLY 22 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1xyd h ASP 23 N 0.00 -0.36 0.00 1.61 3.32 -1.92 -3.46 116.42 115.61 1xyd h ASP 23 Ca 0.00 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1xyd h ASP 23 Cb 0.00 0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1xyd h ASP 23 CO 0.00 -0.09 0.00 1.17 -1.72 0.00 0.00 179.24 178.60 1xyd n LYS 24 N -3.19 0.00 -3.18 3.56 0.00 -1.26 -5.03 118.16 109.06 1xyd n LYS 24 Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 58.31 58.07 1xyd n LYS 24 Cb 0.07 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 35.05 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 -0.83 1.24 -3.88 5.64 8.25 -1.22 -3.07 115.22 121.34 1xyd n HIS 25 Ca 0.00 -3.82 -0.11 0.00 -0.26 0.00 0.00 57.72 53.53 1xyd n HIS 25 Cb 0.00 -0.43 -0.10 0.00 1.12 0.00 0.00 29.99 30.58 1xyd n HIS 25 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 1xyd s LYS 26 N -2.22 0.45 -0.18 -0.41 2.20 -1.18 -4.67 119.74 113.73 1xyd s LYS 26 Ca 0.40 -0.40 -0.12 0.00 -0.36 0.00 0.00 55.97 55.49 1xyd s LYS 26 Cb 0.25 0.18 -0.05 0.00 -1.51 0.00 0.00 37.83 36.70 1xyd s LYS 26 CO -0.09 -0.10 0.24 -0.51 -0.36 0.00 0.00 175.35 174.53 1xyd s LEU 27 N -1.32 4.21 0.22 5.43 1.02 -1.21 -4.32 118.68 122.72 1xyd s LEU 27 Ca -0.14 0.38 0.07 0.00 0.02 0.00 0.00 54.13 54.46 1xyd s LEU 27 Cb -0.08 -2.27 -0.04 0.00 0.02 0.00 0.00 46.19 43.83 1xyd s LEU 27 CO 0.01 0.11 0.11 -0.54 0.02 0.00 0.00 176.35 176.07 1xyd s LYS 28 N 0.55 2.72 0.25 1.70 1.02 -1.26 -2.54 119.74 122.18 1xyd s LYS 28 Ca 0.13 -1.08 -0.06 0.00 0.02 0.00 0.00 55.97 54.98 1xyd s LYS 28 Cb -0.12 -2.48 0.47 0.00 -0.52 0.00 0.00 37.83 35.18 1xyd s LYS 28 CO 0.02 0.42 1.63 -0.22 -0.92 0.00 0.00 175.35 176.28 1xyd h LYS 29 N 1.98 0.09 0.00 1.68 3.64 -1.98 1.90 116.57 123.87 1xyd h LYS 29 Ca -0.47 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1xyd h LYS 29 Cb 1.23 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 1xyd h LYS 29 CO 0.61 0.06 0.43 0.77 -2.27 0.00 0.00 179.45 179.05 1xyd h SER 30 N 0.09 0.00 0.01 4.20 0.02 -1.99 0.32 113.55 116.20 1xyd h SER 30 Ca 0.44 0.00 -0.41 0.00 -0.84 0.00 0.00 61.79 60.98 1xyd h SER 30 Cb 0.78 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.25 1xyd h SER 30 CO -0.71 0.00 -2.44 -0.62 -1.14 0.00 0.00 176.83 171.92 1xyd n GLU 31 N -2.00 0.64 0.09 3.45 1.02 0.64 -3.28 120.64 121.19 1xyd n GLU 31 Ca -0.01 0.20 -0.13 0.00 -0.02 0.00 0.00 57.16 57.20 1xyd n GLU 31 Cb 0.45 -1.53 -0.08 0.00 -0.02 0.00 0.00 31.44 30.26 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 -0.14 -0.85 -4.62 6.46 0.21 2.17 115.31 118.27 1xyd h LEU 32 Ca -0.60 -0.04 -0.10 0.00 -0.12 0.00 0.00 57.88 57.03 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 -0.17 -0.05 -0.17 0.50 -0.62 0.00 0.00 178.44 177.92 1xyd h LYS 33 N -0.21 0.67 0.02 1.25 3.64 -1.38 -1.86 116.57 118.70 1xyd h LYS 33 Ca -0.02 -0.24 -0.21 0.00 -1.27 0.00 0.00 60.65 58.91 1xyd h LYS 33 Cb 0.16 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 1xyd h LYS 33 CO 0.03 0.81 -1.01 0.93 -2.27 0.00 0.00 179.45 177.94 1xyd h GLU 34 N 0.60 0.05 -0.11 1.90 5.08 -1.46 -2.82 114.58 117.81 1xyd h GLU 34 Ca 0.10 -0.07 -0.15 0.00 -1.00 0.00 0.00 59.36 58.23 1xyd h GLU 34 Cb 0.63 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 1xyd h GLU 34 CO 0.04 1.01 -0.59 1.25 -1.00 0.00 0.00 179.01 179.72 1xyd h LEU 35 N 0.01 0.42 -0.03 1.33 5.85 0.38 -0.74 115.31 122.53 1xyd h LEU 35 Ca -0.03 -0.23 -0.24 0.00 0.84 0.00 0.00 57.88 58.22 1xyd h LEU 35 Cb 1.75 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.65 1xyd h LEU 35 CO 0.14 0.91 -1.07 0.16 -0.34 0.00 0.00 178.44 178.24 1xyd h ILE 36 N 0.28 1.54 0.00 4.05 3.07 -1.39 -0.19 117.51 124.87 1xyd h ILE 36 Ca -0.00 -2.99 -0.05 0.00 1.55 0.00 0.00 64.86 63.36 1xyd h ILE 36 Cb 1.11 2.77 -0.01 0.00 -0.27 0.00 0.00 36.82 40.42 1xyd h ILE 36 CO 0.10 0.87 -0.25 -1.13 -1.05 0.00 0.00 178.15 176.69 1xyd h ASN 37 N 0.08 0.00 0.02 2.16 -1.24 -1.46 0.64 115.58 115.77 1xyd h ASN 37 Ca -0.08 0.00 -0.40 0.00 0.71 0.00 0.00 56.30 56.54 1xyd h ASN 37 Cb 1.78 0.00 -0.06 0.00 0.73 0.00 0.00 38.32 40.77 1xyd h ASN 37 CO 0.17 0.25 -2.36 0.59 -1.29 0.00 0.00 177.43 174.79 1xyd n ASN 38 N -3.18 1.99 -0.01 1.15 3.02 -0.29 -4.52 115.26 113.42 1xyd n ASN 38 Ca 0.03 0.05 -0.01 0.00 -0.03 0.00 0.00 54.58 54.61 1xyd n ASN 38 Cb 0.61 -0.60 -0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1xyd n ASN 38 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1xyd n GLU 39 N -3.58 0.09 -0.19 3.52 -0.58 -0.11 -4.56 120.64 115.23 1xyd n GLU 39 Ca -0.45 0.03 0.00 0.00 -0.42 0.00 0.00 57.16 56.32 1xyd n GLU 39 Cb 0.96 -0.54 0.00 0.00 -0.57 0.00 0.00 31.44 31.29 1xyd n GLU 39 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1xyd n LEU 40 N -2.90 3.00 0.13 -4.62 4.77 -1.07 -3.69 117.00 112.62 1xyd n LEU 40 Ca -0.02 -1.40 0.10 0.00 -0.03 0.00 0.00 56.01 54.66 1xyd n LEU 40 Cb 0.09 -0.59 0.04 0.00 -2.33 0.00 0.00 43.42 40.62 1xyd n LEU 40 CO 0.03 0.55 0.21 -1.28 -1.33 0.00 0.00 177.39 175.57 1xyd h SER 41 N 1.31 0.00 1.53 -1.43 0.87 -1.00 0.50 113.55 115.34 1xyd h SER 41 Ca 0.00 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.51 1xyd h SER 41 Cb 0.70 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.65 1xyd h SER 41 CO 0.00 0.08 -0.48 0.45 -0.53 0.00 0.00 176.83 176.35 1xyd h HIS 42 N 0.00 0.00 0.00 2.24 3.86 -1.85 -3.39 115.15 116.02 1xyd h HIS 42 Ca -0.02 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.07 1xyd h HIS 42 Cb 1.08 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.53 1xyd h HIS 42 CO 0.00 0.24 -1.45 1.19 0.86 0.00 0.00 177.93 178.77 1xyd n PHE 43 N -3.06 0.00 -3.29 2.45 3.72 -1.24 -4.99 117.46 111.05 1xyd n PHE 43 Ca 0.01 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.03 1xyd n PHE 43 Cb 0.64 -0.29 -0.06 0.00 -0.94 0.00 0.00 39.48 38.83 1xyd n PHE 43 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 1xyd s LEU 44 N -5.96 4.42 0.37 4.37 2.96 0.18 -5.04 118.68 119.97 1xyd s LEU 44 Ca -0.11 1.07 -0.27 0.00 -0.22 0.00 0.00 54.13 54.60 1xyd s LEU 44 Cb 0.04 -2.81 -0.09 0.00 0.50 0.00 0.00 46.19 43.82 1xyd s LEU 44 CO 0.16 0.15 1.21 -1.61 -1.32 0.00 0.00 176.35 174.94 1xyd s GLU 45 N -0.33 4.18 -0.34 1.98 2.02 -1.26 -4.01 118.70 120.94 1xyd s GLU 45 Ca 0.28 1.97 -0.29 0.00 0.02 0.00 0.00 54.97 56.96 1xyd s GLU 45 Cb -0.17 -2.85 -0.01 0.00 0.10 0.00 0.00 34.13 31.20 1xyd s GLU 45 CO 0.15 -0.25 1.58 -1.21 0.02 0.00 0.00 175.26 175.55 1xyd s GLU 46 N -2.06 3.55 0.02 1.61 0.41 -1.26 -4.88 118.70 116.09 1xyd s GLU 46 Ca 0.53 1.25 -0.30 0.00 -0.41 0.00 0.00 54.97 56.04 1xyd s GLU 46 Cb -0.34 -4.08 -0.04 0.00 -1.78 0.00 0.00 34.13 27.89 1xyd s GLU 46 CO 0.44 -1.60 1.14 0.96 -0.49 0.00 0.00 175.26 175.72 1xyd s ILE 47 N 5.84 4.29 -1.28 -1.63 -4.36 -1.26 -4.88 121.20 117.91 1xyd s ILE 47 Ca 0.69 1.63 0.24 0.00 -0.26 0.00 0.00 60.65 62.96 1xyd s ILE 47 Cb -0.19 -4.05 0.03 0.00 1.25 0.00 0.00 42.46 39.51 1xyd s ILE 47 CO 0.32 0.10 1.34 0.29 0.24 0.00 0.00 174.94 177.23 1xyd n LYS 48 N 4.17 0.32 -4.99 0.37 5.02 -1.26 -4.81 118.16 116.98 1xyd n LYS 48 Ca 0.09 -0.21 -0.29 0.00 -2.02 0.00 0.00 58.31 55.88 1xyd n LYS 48 Cb 0.47 -1.50 -0.16 0.00 -0.02 0.00 0.00 35.03 33.82 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 -2.83 2.28 0.19 1.97 2.02 -1.26 -5.00 118.70 116.07 1xyd s GLU 49 Ca 0.15 -0.72 0.24 0.00 0.02 0.00 0.00 54.97 54.66 1xyd s GLU 49 Cb 0.18 -1.86 0.91 0.00 0.10 0.00 0.00 34.13 33.45 1xyd s GLU 49 CO 0.67 0.22 1.72 0.00 0.02 0.00 0.00 175.26 177.90 1xyd n GLN 50 N 3.31 0.17 -0.34 1.61 -0.00 -1.26 -3.91 117.38 116.96 1xyd n GLN 50 Ca -0.19 0.30 0.08 0.00 -0.00 0.00 0.00 57.00 57.19 1xyd n GLN 50 Cb 0.53 -1.77 0.18 0.00 -0.00 0.00 0.00 30.24 29.17 1xyd n GLN 50 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.06 175.15 1xyd n GLU 51 N -2.09 -0.08 0.02 2.61 2.13 -1.26 0.19 120.64 122.16 1xyd n GLU 51 Ca 0.04 1.48 -0.08 0.00 0.66 0.00 0.00 57.16 59.25 1xyd n GLU 51 Cb 0.29 -2.25 0.07 0.00 0.27 0.00 0.00 31.44 29.83 1xyd n GLU 51 CO 0.00 0.00 0.00 -0.39 -0.41 0.00 0.00 177.13 176.33 1xyd h VAL 52 N 0.00 1.33 0.00 6.31 -1.51 -1.99 -0.54 116.25 119.85 1xyd h VAL 52 Ca 0.50 -1.83 -0.03 0.00 -1.23 0.00 0.00 66.70 64.11 1xyd h VAL 52 Cb 0.85 1.82 -0.00 0.00 -2.13 0.00 0.00 31.29 31.82 1xyd h VAL 52 CO -0.96 0.56 -0.13 1.62 -1.23 0.00 0.00 177.57 177.43 1xyd h VAL 53 N 0.37 0.49 0.12 7.19 3.04 0.18 1.05 116.25 128.69 1xyd h VAL 53 Ca 0.00 -0.65 -0.27 0.00 -1.01 0.00 0.00 66.70 64.77 1xyd h VAL 53 Cb 1.09 1.45 0.01 0.00 -2.01 0.00 0.00 31.29 31.83 1xyd h VAL 53 CO 0.10 0.13 -1.21 0.44 -1.01 0.00 0.00 177.57 176.02 1xyd h ASP 54 N 0.00 0.51 0.02 3.17 3.32 0.25 -2.57 116.42 121.13 1xyd h ASP 54 Ca -0.00 -0.51 -0.08 0.00 0.02 0.00 0.00 57.03 56.46 1xyd h ASP 54 Cb 0.44 -0.16 0.01 0.00 0.22 0.00 0.00 39.33 39.83 1xyd h ASP 54 CO 0.02 1.38 -0.31 0.50 -1.72 0.00 0.00 179.24 179.11 1xyd h LYS 55 N 0.12 0.17 -0.78 3.56 3.11 0.06 -3.15 116.57 119.65 1xyd h LYS 55 Ca -0.14 -0.21 0.12 0.00 -2.81 0.00 0.00 60.65 57.61 1xyd h LYS 55 Cb 1.92 0.07 -0.08 0.00 -1.00 0.00 0.00 32.23 33.13 1xyd h LYS 55 CO 0.21 1.00 0.39 -0.24 -2.81 0.00 0.00 179.45 177.99 1xyd h VAL 56 N -0.57 0.79 -1.00 2.00 3.04 0.10 0.61 116.25 121.22 1xyd h VAL 56 Ca -0.05 -0.21 0.21 0.00 -1.01 0.00 0.00 66.70 65.65 1xyd h VAL 56 Cb 1.13 0.12 -0.10 0.00 -2.01 0.00 0.00 31.29 30.43 1xyd h VAL 56 CO 0.06 0.11 0.62 -0.03 -1.01 0.00 0.00 177.57 177.32 1xyd h MET 57 N 0.61 0.60 0.00 4.17 4.05 -1.48 1.54 114.93 124.42 1xyd h MET 57 Ca 0.40 -0.04 -0.03 0.00 -0.28 0.00 0.00 59.70 59.76 1xyd h MET 57 Cb 0.50 -0.14 -0.00 0.00 -0.80 0.00 0.00 31.60 31.16 1xyd h MET 57 CO -0.32 0.40 -0.13 1.49 0.23 0.00 0.00 176.91 178.58 1xyd h GLU 58 N 0.62 0.00 0.00 0.39 4.81 0.26 2.29 114.58 122.95 1xyd h GLU 58 Ca 0.58 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 59.58 1xyd h GLU 58 Cb 1.10 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.44 1xyd h GLU 58 CO -0.35 0.13 -1.40 1.15 -0.73 0.00 0.00 179.01 177.81 1xyd h THR 59 N 0.00 0.90 0.00 0.32 2.02 0.23 -3.40 112.91 112.98 1xyd h THR 59 Ca -0.00 -2.59 -0.45 0.00 0.77 0.00 0.00 66.41 64.14 1xyd h THR 59 Cb 0.24 2.38 -0.07 0.00 -1.74 0.00 0.00 68.15 68.97 1xyd h THR 59 CO 0.02 0.51 -2.48 0.18 0.37 0.00 0.00 175.52 174.12 1xyd n LEU 60 N -3.07 2.04 -4.54 2.58 7.99 0.15 -4.85 117.00 117.31 1xyd n LEU 60 Ca -0.10 0.31 -0.41 0.00 -0.01 0.00 0.00 56.01 55.79 1xyd n LEU 60 Cb 0.95 -0.84 -0.05 0.00 -0.11 0.00 0.00 43.42 43.37 1xyd n LEU 60 CO 0.44 0.59 1.97 -0.67 -1.51 0.00 0.00 177.39 178.22 1xyd n ASP 61 N -4.18 2.26 -0.01 -1.43 2.03 0.76 -4.74 116.55 111.25 1xyd n ASP 61 Ca -0.53 -0.10 -0.21 0.00 0.52 0.00 0.00 54.79 54.47 1xyd n ASP 61 Cb 0.89 -1.44 -0.14 0.00 -0.72 0.00 0.00 41.12 39.71 1xyd n ASP 61 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1xyd n GLU 62 N 8.74 0.75 0.00 -0.67 0.00 -1.26 -3.79 120.64 124.41 1xyd n GLU 62 Ca 0.40 0.27 0.15 0.00 0.00 0.00 0.00 57.16 57.98 1xyd n GLU 62 Cb 0.40 -1.70 0.77 0.00 0.00 0.00 0.00 31.44 30.91 1xyd n GLU 62 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 1xyd n ASP 63 N -3.52 0.05 -2.63 4.31 5.68 -1.26 -4.89 116.55 114.28 1xyd n ASP 63 Ca -0.33 -0.29 -0.13 0.00 -0.50 0.00 0.00 54.79 53.55 1xyd n ASP 63 Cb 1.03 -0.23 0.06 0.00 -1.14 0.00 0.00 41.12 40.83 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 1.25 -0.09 0.44 6.12 0.00 -1.25 -4.92 105.19 106.75 1xyd n GLY 64 Ca 0.15 -0.07 0.11 0.00 0.00 0.00 0.00 46.02 46.21 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 -2.14 1.90 0.00 1.61 5.68 -1.26 -4.92 116.55 117.42 1xyd n ASP 65 Ca -0.13 -1.45 0.00 0.00 -0.50 0.00 0.00 54.79 52.71 1xyd n ASP 65 Cb 0.59 0.53 0.00 0.00 -1.14 0.00 0.00 41.12 41.10 1xyd n ASP 65 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1xyd n GLY 66 N 1.41 1.03 3.67 6.12 0.00 -1.26 -4.94 105.19 111.21 1xyd n GLY 66 Ca 0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.25 2.06 -0.52 1.61 2.02 -1.26 -4.72 118.70 117.63 1xyd s GLU 67 Ca 0.00 -2.02 0.04 0.00 0.02 0.00 0.00 54.97 53.01 1xyd s GLU 67 Cb 0.00 -1.76 0.14 0.00 0.10 0.00 0.00 34.13 32.60 1xyd s GLU 67 CO 0.00 -0.08 0.28 0.00 0.02 0.00 0.00 175.26 175.48 1xyd n ASP 69 N 3.09 -2.43 0.15 0.00 8.00 -1.26 -3.29 116.55 120.81 1xyd n ASP 69 Ca 0.08 -0.30 0.00 0.00 0.71 0.00 0.00 54.79 55.28 1xyd n ASP 69 Cb 0.33 -0.45 0.19 0.00 -0.02 0.00 0.00 41.12 41.17 1xyd n ASP 69 CO 0.00 0.00 0.00 2.19 -0.39 0.00 0.00 177.20 179.00 1xyd h PHE 70 N -2.41 0.00 -0.10 1.24 -5.15 -1.98 -1.17 116.94 107.37 1xyd h PHE 70 Ca -0.14 0.00 -0.04 0.00 -0.20 0.00 0.00 57.97 57.59 1xyd h PHE 70 Cb 0.46 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.63 1xyd h PHE 70 CO 0.00 0.57 -0.11 0.37 -2.00 0.00 0.00 178.31 177.14 1xyd h GLN 71 N 0.00 0.26 0.00 6.09 4.15 -1.99 -2.92 115.11 120.70 1xyd h GLN 71 Ca -0.01 -0.14 -0.27 0.00 0.77 0.00 0.00 58.65 59.01 1xyd h GLN 71 Cb 1.10 0.01 -0.04 0.00 0.21 0.00 0.00 27.48 28.75 1xyd h GLN 71 CO 0.07 0.67 -1.49 1.05 -1.93 0.00 0.00 178.83 177.21 1xyd h GLU 72 N -0.15 0.00 -0.57 1.69 4.11 -1.89 -3.24 114.58 114.52 1xyd h GLU 72 Ca 0.02 -0.00 0.10 0.00 0.07 0.00 0.00 59.36 59.54 1xyd h GLU 72 Cb 0.63 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.80 1xyd h GLU 72 CO 0.03 0.65 0.14 0.35 0.07 0.00 0.00 179.01 180.25 1xyd h PHE 73 N 0.00 0.23 -0.68 2.06 3.57 -1.27 0.62 116.94 121.46 1xyd h PHE 73 Ca -0.20 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.34 1xyd h PHE 73 Cb 1.94 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 40.63 1xyd h PHE 73 CO 0.00 0.00 0.45 1.98 -2.23 0.00 0.00 178.31 178.51 1xyd h MET 74 N 0.28 0.89 0.00 1.11 4.05 -1.61 0.29 114.93 119.94 1xyd h MET 74 Ca 0.30 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.66 1xyd h MET 74 Cb 0.41 -0.20 0.00 0.00 -0.80 0.00 0.00 31.60 31.01 1xyd h MET 74 CO -0.36 0.59 0.33 0.00 0.23 0.00 0.00 176.91 177.69 1xyd h ALA 75 N 1.25 1.32 0.13 0.39 0.00 0.15 0.17 119.26 122.66 1xyd h ALA 75 Ca 0.25 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1xyd h ALA 75 Cb -0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1xyd h ALA 75 CO -0.06 -0.32 -0.06 0.35 0.00 0.00 0.00 179.25 179.17 1xyd h PHE 76 N 0.00 -0.16 -0.41 0.00 3.57 0.11 -2.75 116.94 117.29 1xyd h PHE 76 Ca 0.00 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.54 1xyd h PHE 76 Cb 0.65 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.42 1xyd h PHE 76 CO 0.00 0.31 0.28 0.28 -2.23 0.00 0.00 178.31 176.95 1xyd h VAL 77 N -0.82 0.98 -0.86 1.41 2.07 -0.97 -0.29 116.25 117.76 1xyd h VAL 77 Ca -0.02 -0.12 0.02 0.00 0.82 0.00 0.00 66.70 67.40 1xyd h VAL 77 Cb 0.55 0.59 -0.05 0.00 -1.52 0.00 0.00 31.29 30.86 1xyd h VAL 77 CO 0.03 0.07 0.57 0.77 0.02 0.00 0.00 177.57 179.02 1xyd h SER 78 N 0.36 0.95 0.75 0.57 4.64 -1.13 1.65 113.55 121.35 1xyd h SER 78 Ca 0.18 -0.02 -0.10 0.00 -0.47 0.00 0.00 61.79 61.38 1xyd h SER 78 Cb 0.25 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 1xyd h SER 78 CO -0.04 0.67 -0.46 -0.03 -0.87 0.00 0.00 176.83 176.10 1xyd h MET 79 N 1.11 0.00 0.26 4.77 -1.53 -0.76 0.58 114.93 119.36 1xyd h MET 79 Ca 0.33 0.00 -0.34 0.00 -3.44 0.00 0.00 59.70 56.25 1xyd h MET 79 Cb -0.04 0.00 0.04 0.00 -0.55 0.00 0.00 31.60 31.05 1xyd h MET 79 CO -0.09 0.46 -1.51 0.28 0.14 0.00 0.00 176.91 176.19 1xyd h VAL 80 N 0.00 1.26 -0.39 -5.77 2.07 -0.52 -2.88 116.25 110.03 1xyd h VAL 80 Ca -0.00 -2.69 -0.09 0.00 0.82 0.00 0.00 66.70 64.73 1xyd h VAL 80 Cb 0.96 3.03 -0.02 0.00 -1.52 0.00 0.00 31.29 33.74 1xyd h VAL 80 CO 0.06 0.81 -0.14 0.74 0.02 0.00 0.00 177.57 179.06 1xyd h THR 81 N 0.15 1.26 -0.49 2.57 2.02 0.27 -2.53 112.91 116.14 1xyd h THR 81 Ca -0.27 -1.18 -0.11 0.00 0.77 0.00 0.00 66.41 65.62 1xyd h THR 81 Cb 2.17 1.11 -0.02 0.00 -1.74 0.00 0.00 68.15 69.68 1xyd h THR 81 CO 0.27 0.40 -0.14 0.71 0.37 0.00 0.00 175.52 177.13 1xyd h THR 82 N 0.64 1.27 -0.28 3.16 1.35 0.16 -2.69 112.91 116.51 1xyd h THR 82 Ca 0.11 -1.27 -0.06 0.00 -0.55 0.00 0.00 66.41 64.63 1xyd h THR 82 Cb 0.60 1.03 -0.01 0.00 -1.73 0.00 0.00 68.15 68.05 1xyd h THR 82 CO 0.04 0.44 -0.06 0.00 -0.25 0.00 0.00 175.52 175.70 1xyd h ALA 83 N 1.00 0.38 0.00 6.62 0.00 -1.35 0.82 119.26 126.73 1xyd h ALA 83 Ca 0.13 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1xyd h ALA 83 Cb 0.68 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1xyd h ALA 83 CO 0.05 0.19 0.00 0.00 0.00 0.00 0.00 179.25 179.49 1xyd n HIS 85 N -1.67 0.00 -0.02 0.00 -0.00 -0.52 -3.92 115.22 109.10 1xyd n HIS 85 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 57.72 57.56 1xyd n HIS 85 Cb 0.03 -0.70 -0.11 0.00 -0.00 0.00 0.00 29.99 29.21 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 0.31 0.00 1.57 4.57 0.15 -2.77 114.58 118.41 1xyd h GLU 86 Ca -0.40 -0.31 -0.06 0.00 -1.18 0.00 0.00 59.36 57.42 1xyd h GLU 86 Cb 1.75 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 30.41 1xyd h GLU 86 CO -0.02 0.99 -0.28 0.74 -1.18 0.00 0.00 179.01 179.26 1xyd h PHE 87 N -0.26 0.00 -0.23 0.92 -1.00 -1.09 -2.86 116.94 112.42 1xyd h PHE 87 Ca -0.05 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.67 1xyd h PHE 87 Cb 1.12 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.67 1xyd h PHE 87 CO 0.15 0.28 -0.09 0.74 -1.61 0.00 0.00 178.31 177.79 1xyd h PHE 88 N 0.00 0.54 0.00 -0.55 -1.00 -1.66 -3.28 116.94 110.99 1xyd h PHE 88 Ca -0.00 -0.13 0.00 0.00 2.81 0.00 0.00 57.97 60.65 1xyd h PHE 88 Cb 0.58 -0.13 0.00 0.00 3.61 0.00 0.00 35.95 40.01 1xyd h PHE 88 CO 0.00 0.73 0.00 0.39 -1.61 0.00 0.00 178.31 177.82 1xyd n GLU 89 N -4.54 0.00 -2.17 1.51 1.02 -1.05 -4.45 120.64 110.96 1xyd n GLU 89 Ca -0.04 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.72 1xyd n GLU 89 Cb 0.32 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.71 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 0.00 1.83 -2.00 -0.32 3.76 -1.21 -5.09 115.29 112.26 1xyd s HIS 90 Ca 0.00 0.54 0.10 0.00 -0.15 0.00 0.00 55.06 55.55 1xyd s HIS 90 Cb 0.00 -4.22 0.59 0.00 1.11 0.00 0.00 32.58 30.05 1xyd s HIS 90 CO 0.00 -2.20 1.03 0.39 -0.85 0.00 0.00 174.74 173.11