#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 6.84 0.53 6.12 1.04 -1.26 -4.80 113.70 122.17 1xyd s SER 1 Ca 0.00 -2.44 0.18 0.00 0.48 0.00 0.00 55.95 54.17 1xyd s SER 1 Cb 0.00 -2.46 1.35 0.00 0.10 0.00 0.00 66.02 65.01 1xyd s SER 1 CO 0.00 -1.01 2.16 -0.33 0.98 0.00 0.00 173.24 175.04 1xyd h GLU 2 N 8.02 0.00 0.00 4.02 5.08 -2.07 -0.89 114.58 128.75 1xyd h GLU 2 Ca 0.28 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.56 1xyd h GLU 2 Cb 0.93 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.17 1xyd h GLU 2 CO 1.27 0.00 -0.39 -0.07 -1.00 0.00 0.00 179.01 178.83 1xyd h LEU 3 N 0.00 0.00 -0.40 1.33 3.38 -2.01 -3.06 115.31 114.54 1xyd h LEU 3 Ca 0.01 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.80 1xyd h LEU 3 Cb 0.03 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1xyd h LEU 3 CO -0.00 0.39 -0.80 -0.33 0.09 0.00 0.00 178.44 177.79 1xyd h GLU 4 N 0.00 0.12 -0.53 1.13 5.08 -1.56 -2.76 114.58 116.06 1xyd h GLU 4 Ca -0.00 -0.12 -0.04 0.00 -1.00 0.00 0.00 59.36 58.20 1xyd h GLU 4 Cb 0.97 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.23 1xyd h GLU 4 CO 0.05 0.85 0.18 0.87 -1.00 0.00 0.00 179.01 179.96 1xyd h LYS 5 N 0.07 0.82 0.16 2.33 1.57 -1.43 -1.72 116.57 118.37 1xyd h LYS 5 Ca -0.02 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.58 1xyd h LYS 5 Cb 1.40 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.59 1xyd h LYS 5 CO 0.11 0.74 -0.08 0.00 -0.57 0.00 0.00 179.45 179.66 1xyd h ALA 6 N 1.03 -0.22 -0.80 3.86 0.00 -1.53 0.34 119.26 121.95 1xyd h ALA 6 Ca 0.17 -0.11 0.14 0.00 0.00 0.00 0.00 54.91 55.11 1xyd h ALA 6 Cb 0.26 0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.04 1xyd h ALA 6 CO -0.01 -0.54 0.38 0.52 0.00 0.00 0.00 179.25 179.61 1xyd h MET 7 N -0.38 0.55 -0.00 0.00 2.86 -1.37 0.43 114.93 117.01 1xyd h MET 7 Ca -0.02 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1xyd h MET 7 Cb 0.30 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.84 1xyd h MET 7 CO 0.04 0.36 -0.01 0.28 1.06 0.00 0.00 176.91 178.64 1xyd h VAL 8 N 0.56 1.45 -0.24 -2.22 2.07 -1.02 0.22 116.25 117.07 1xyd h VAL 8 Ca 0.43 -1.34 0.05 0.00 0.82 0.00 0.00 66.70 66.67 1xyd h VAL 8 Cb 0.61 2.35 -0.01 0.00 -1.52 0.00 0.00 31.29 32.71 1xyd h VAL 8 CO -0.36 0.35 0.17 0.00 0.02 0.00 0.00 177.57 177.75 1xyd h ALA 9 N 0.44 2.12 0.00 1.67 0.00 0.34 -2.76 119.26 121.06 1xyd h ALA 9 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1xyd h ALA 9 Cb 0.58 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1xyd h ALA 9 CO 0.00 -0.18 -0.04 -0.07 0.00 0.00 0.00 179.25 178.97 1xyd h LEU 10 N 0.09 0.00 -1.95 0.00 3.38 -0.05 -3.16 115.31 113.62 1xyd h LEU 10 Ca 0.11 -0.73 0.41 0.00 0.09 0.00 0.00 57.88 57.76 1xyd h LEU 10 Cb 0.34 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.02 1xyd h LEU 10 CO -0.01 0.89 1.00 0.40 0.09 0.00 0.00 178.44 180.81 1xyd h ILE 11 N -1.00 0.29 0.00 1.22 2.04 -0.71 2.75 117.51 122.10 1xyd h ILE 11 Ca -0.01 -0.01 -0.03 0.00 1.00 0.00 0.00 64.86 65.82 1xyd h ILE 11 Cb 0.75 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 37.10 1xyd h ILE 11 CO -0.01 0.00 -0.10 0.44 0.00 0.00 0.00 178.15 178.49 1xyd h ASP 12 N 0.02 0.08 1.25 1.72 3.32 -1.57 -1.85 116.42 119.40 1xyd h ASP 12 Ca 0.68 -0.80 -0.14 0.00 0.02 0.00 0.00 57.03 56.79 1xyd h ASP 12 Cb 2.66 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 42.17 1xyd h ASP 12 CO -0.04 0.88 -0.64 0.58 -1.72 0.00 0.00 179.24 178.30 1xyd h VAL 13 N -0.70 1.14 0.17 -1.35 2.07 -0.60 -2.07 116.25 114.92 1xyd h VAL 13 Ca -0.01 -2.51 -0.01 0.00 0.82 0.00 0.00 66.70 64.99 1xyd h VAL 13 Cb 0.89 2.49 0.00 0.00 -1.52 0.00 0.00 31.29 33.16 1xyd h VAL 13 CO 0.02 0.63 -0.08 0.15 0.02 0.00 0.00 177.57 178.31 1xyd h PHE 14 N 0.00 -0.21 -0.05 1.57 3.57 0.46 -2.45 116.94 119.83 1xyd h PHE 14 Ca -0.01 -0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.36 1xyd h PHE 14 Cb 1.44 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 40.24 1xyd h PHE 14 CO 0.00 0.21 -0.56 1.25 -2.23 0.00 0.00 178.31 176.98 1xyd h HIS 15 N -0.78 0.17 -0.35 0.41 2.76 -1.43 0.46 115.15 116.39 1xyd h HIS 15 Ca -0.02 -0.06 -0.12 0.00 -2.20 0.00 0.00 60.37 57.97 1xyd h HIS 15 Cb 0.52 -0.03 -0.01 0.00 1.55 0.00 0.00 27.41 29.44 1xyd h HIS 15 CO 0.07 0.66 -0.25 1.96 -1.30 0.00 0.00 177.93 179.08 1xyd h GLN 16 N 0.10 0.71 0.00 5.26 1.08 -1.43 -0.59 115.11 120.24 1xyd h GLN 16 Ca -0.00 -0.29 -0.10 0.00 -1.45 0.00 0.00 58.65 56.80 1xyd h GLN 16 Cb 1.02 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 28.40 1xyd h GLN 16 CO 0.08 0.89 -1.03 0.66 -0.95 0.00 0.00 178.83 178.49 1xyd n TYR 17 N -4.10 0.59 0.19 2.96 4.02 -0.92 -2.16 117.16 117.74 1xyd n TYR 17 Ca -0.00 0.26 0.18 0.00 -0.01 0.00 0.00 57.90 58.32 1xyd n TYR 17 Cb 0.44 -0.79 0.77 0.00 -0.02 0.00 0.00 39.34 39.74 1xyd n TYR 17 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 176.86 176.62 1xyd h SER 18 N -1.00 0.00 -0.02 7.72 0.02 -0.21 0.64 113.55 120.70 1xyd h SER 18 Ca -0.15 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 1xyd h SER 18 Cb 0.92 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.46 1xyd h SER 18 CO -0.09 0.00 -0.30 0.61 -1.14 0.00 0.00 176.83 175.91 1xyd n GLY 19 N -1.38 0.32 0.37 -3.77 0.00 -0.23 -1.64 105.19 98.86 1xyd n GLY 19 Ca 0.03 -0.63 0.09 0.00 0.00 0.00 0.00 46.02 45.51 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 3.09 0.77 -2.12 1.61 2.43 0.81 -3.46 114.38 117.51 1xyd h ARG 20 Ca 0.00 -0.05 0.23 0.00 -0.81 0.00 0.00 59.98 59.35 1xyd h ARG 20 Cb 0.81 -0.17 -0.08 0.00 -0.42 0.00 0.00 29.97 30.11 1xyd h ARG 20 CO 0.00 0.51 0.64 -1.83 -1.51 0.00 0.00 179.97 177.78 1xyd s GLU 21 N -5.75 0.93 0.00 0.20 -1.05 -1.26 -5.09 118.70 106.69 1xyd s GLU 21 Ca -0.10 -0.55 0.00 0.00 -0.15 0.00 0.00 54.97 54.17 1xyd s GLU 21 Cb 0.21 0.30 0.00 0.00 -0.44 0.00 0.00 34.13 34.20 1xyd s GLU 21 CO 0.79 -0.43 0.00 0.41 0.95 0.00 0.00 175.26 176.98 1xyd n GLY 22 N -0.57 -3.17 0.45 -3.83 0.00 -1.26 -4.64 105.19 92.17 1xyd n GLY 22 Ca -0.05 -2.13 -0.15 0.00 0.00 0.00 0.00 46.02 43.69 1xyd n GLY 22 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1xyd h ASP 23 N 0.00 -1.45 0.00 1.61 1.82 -1.93 -3.47 116.42 113.00 1xyd h ASP 23 Ca 0.00 0.16 0.00 0.00 -0.39 0.00 0.00 57.03 56.80 1xyd h ASP 23 Cb 0.00 0.55 0.00 0.00 0.68 0.00 0.00 39.33 40.56 1xyd h ASP 23 CO 0.00 -0.52 0.00 0.29 -1.61 0.00 0.00 179.24 177.40 1xyd n LYS 24 N -5.47 0.00 -4.32 0.28 4.76 -1.26 -5.01 118.16 107.13 1xyd n LYS 24 Ca -0.07 0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 55.03 1xyd n LYS 24 Cb 0.40 0.00 -0.08 0.00 -1.84 0.00 0.00 35.03 33.50 1xyd n LYS 24 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1xyd n HIS 25 N -0.54 -1.32 -4.00 2.13 8.25 -1.14 -4.94 115.22 113.66 1xyd n HIS 25 Ca 0.00 0.66 -0.11 0.00 -0.26 0.00 0.00 57.72 58.01 1xyd n HIS 25 Cb 0.00 -2.71 -0.12 0.00 1.12 0.00 0.00 29.99 28.28 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 -7.22 0.33 -0.22 -0.41 1.02 -0.65 -4.53 119.74 108.06 1xyd s LYS 26 Ca 0.25 -0.51 -0.13 0.00 0.02 0.00 0.00 55.97 55.60 1xyd s LYS 26 Cb -0.14 -0.07 -0.05 0.00 -0.52 0.00 0.00 37.83 37.05 1xyd s LYS 26 CO 0.99 0.00 0.25 -1.17 -0.92 0.00 0.00 175.35 174.50 1xyd s LEU 27 N -1.13 4.13 0.25 3.17 1.98 -1.20 -4.36 118.68 121.52 1xyd s LEU 27 Ca -0.10 0.27 0.08 0.00 -2.89 0.00 0.00 54.13 51.49 1xyd s LEU 27 Cb -0.08 -2.27 -0.04 0.00 0.66 0.00 0.00 46.19 44.47 1xyd s LEU 27 CO -0.00 0.01 0.07 -0.54 -1.89 0.00 0.00 176.35 173.99 1xyd s LYS 28 N 1.16 2.53 0.29 1.98 1.02 -1.26 -2.84 119.74 122.61 1xyd s LYS 28 Ca 0.12 -1.26 0.04 0.00 0.02 0.00 0.00 55.97 54.88 1xyd s LYS 28 Cb -0.14 -2.32 0.68 0.00 -0.52 0.00 0.00 37.83 35.53 1xyd s LYS 28 CO 0.06 0.39 1.76 0.87 -0.92 0.00 0.00 175.35 177.50 1xyd h LYS 29 N 1.81 0.65 0.00 1.68 1.57 -1.98 0.77 116.57 121.08 1xyd h LYS 29 Ca -0.46 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 1xyd h LYS 29 Cb 1.24 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.40 1xyd h LYS 29 CO 0.60 0.43 0.24 0.77 -0.57 0.00 0.00 179.45 180.92 1xyd h SER 30 N 0.67 0.00 0.00 0.86 0.02 -1.98 0.36 113.55 113.49 1xyd h SER 30 Ca 0.54 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 61.17 1xyd h SER 30 Cb 0.85 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.33 1xyd h SER 30 CO -0.40 0.00 -2.24 -0.62 -1.14 0.00 0.00 176.83 172.44 1xyd n GLU 31 N -2.69 0.88 -0.02 3.45 1.02 0.25 -3.22 120.64 120.30 1xyd n GLU 31 Ca -0.02 0.05 -0.13 0.00 -0.02 0.00 0.00 57.16 57.04 1xyd n GLU 31 Cb 0.28 -1.45 -0.09 0.00 -0.02 0.00 0.00 31.44 30.16 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 0.06 -0.54 -4.62 6.46 0.11 1.58 115.31 118.36 1xyd h LEU 32 Ca -0.49 -0.46 -0.15 0.00 -0.12 0.00 0.00 57.88 56.66 1xyd h LEU 32 Cb 1.95 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 41.85 1xyd h LEU 32 CO -0.02 0.51 -0.47 0.50 -0.62 0.00 0.00 178.44 178.35 1xyd h LYS 33 N -0.39 0.64 0.01 1.25 3.64 -0.62 -0.96 116.57 120.16 1xyd h LYS 33 Ca 0.00 -0.36 -0.20 0.00 -1.27 0.00 0.00 60.65 58.82 1xyd h LYS 33 Cb 0.49 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 1xyd h LYS 33 CO 0.01 0.97 -0.92 1.49 -2.27 0.00 0.00 179.45 178.73 1xyd h GLU 34 N 0.51 0.15 -0.05 1.90 4.81 -1.51 -2.46 114.58 117.94 1xyd h GLU 34 Ca 0.03 -0.18 -0.18 0.00 -0.13 0.00 0.00 59.36 58.90 1xyd h GLU 34 Cb 1.01 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.43 1xyd h GLU 34 CO 0.09 0.96 -0.73 1.25 -0.73 0.00 0.00 179.01 179.85 1xyd h LEU 35 N 0.07 0.35 -0.51 1.64 5.85 0.24 -0.81 115.31 122.15 1xyd h LEU 35 Ca -0.04 -0.23 -0.15 0.00 0.84 0.00 0.00 57.88 58.29 1xyd h LEU 35 Cb 1.57 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.49 1xyd h LEU 35 CO 0.14 0.96 -0.44 0.40 -0.34 0.00 0.00 178.44 179.15 1xyd h ILE 36 N 0.19 1.29 0.00 4.05 2.04 -1.15 0.56 117.51 124.50 1xyd h ILE 36 Ca -0.03 -1.63 -0.05 0.00 1.00 0.00 0.00 64.86 64.15 1xyd h ILE 36 Cb 1.30 1.55 -0.01 0.00 -0.74 0.00 0.00 36.82 38.92 1xyd h ILE 36 CO 0.12 0.53 -0.23 0.78 0.00 0.00 0.00 178.15 179.34 1xyd h ASN 37 N 0.58 0.00 0.06 1.72 2.35 -1.36 0.92 115.58 119.86 1xyd h ASN 37 Ca 0.04 0.00 -0.33 0.00 -0.55 0.00 0.00 56.30 55.45 1xyd h ASN 37 Cb 1.00 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.34 1xyd h ASN 37 CO 0.09 0.23 -1.86 -3.20 -1.65 0.00 0.00 177.43 171.05 1xyd n ASN 38 N -3.18 2.02 -0.02 5.81 2.85 -0.32 -4.48 115.26 117.94 1xyd n ASN 38 Ca 0.03 0.25 -0.04 0.00 -0.11 0.00 0.00 54.58 54.71 1xyd n ASN 38 Cb 0.59 -0.85 -0.01 0.00 1.24 0.00 0.00 39.78 40.75 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 -3.82 0.22 -0.06 1.20 -0.58 0.17 -4.61 120.64 113.17 1xyd n GLU 39 Ca -0.35 0.09 0.00 0.00 -0.42 0.00 0.00 57.16 56.47 1xyd n GLU 39 Cb 0.92 -0.84 0.00 0.00 -0.57 0.00 0.00 31.44 30.95 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 -3.74 2.55 0.15 -4.62 4.77 -1.14 -3.47 117.00 111.51 1xyd n LEU 40 Ca -0.06 -1.24 0.12 0.00 -0.03 0.00 0.00 56.01 54.80 1xyd n LEU 40 Cb 0.21 -0.45 0.10 0.00 -2.33 0.00 0.00 43.42 40.95 1xyd n LEU 40 CO 0.09 0.44 0.41 -1.28 -1.33 0.00 0.00 177.39 175.72 1xyd h SER 41 N 0.69 0.00 0.84 -1.43 0.87 -0.94 0.36 113.55 113.94 1xyd h SER 41 Ca 0.00 -0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.51 1xyd h SER 41 Cb 0.76 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.71 1xyd h SER 41 CO 0.00 0.01 -1.18 1.41 -0.53 0.00 0.00 176.83 176.53 1xyd n HIS 42 N -2.81 0.88 -0.06 2.24 8.25 -1.23 -4.31 115.22 118.19 1xyd n HIS 42 Ca 0.02 0.26 -0.07 0.00 -0.26 0.00 0.00 57.72 57.68 1xyd n HIS 42 Cb 0.53 -0.94 -0.08 0.00 1.12 0.00 0.00 29.99 30.62 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 -2.68 0.00 -4.67 4.41 3.01 -1.24 -4.95 117.46 111.34 1xyd n PHE 43 Ca -0.02 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 58.10 1xyd n PHE 43 Cb 0.61 -0.55 -0.14 0.00 -0.01 0.00 0.00 39.48 39.39 1xyd n PHE 43 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1xyd s LEU 44 N -5.13 2.77 0.33 4.37 1.02 0.13 -5.08 118.68 117.09 1xyd s LEU 44 Ca -0.10 -0.32 -0.27 0.00 0.02 0.00 0.00 54.13 53.47 1xyd s LEU 44 Cb 0.04 -1.63 -0.13 0.00 0.02 0.00 0.00 46.19 44.49 1xyd s LEU 44 CO 0.42 0.15 1.07 -1.84 0.02 0.00 0.00 176.35 176.17 1xyd n GLU 45 N 3.62 1.53 -1.71 1.70 0.28 -1.26 -3.96 120.64 120.84 1xyd n GLU 45 Ca -0.18 0.54 -0.39 0.00 -0.16 0.00 0.00 57.16 56.97 1xyd n GLU 45 Cb 0.53 -2.00 -0.03 0.00 1.43 0.00 0.00 31.44 31.36 1xyd n GLU 45 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 1xyd s GLU 46 N -1.74 2.58 0.20 3.44 2.12 -1.26 -4.91 118.70 119.13 1xyd s GLU 46 Ca 0.59 1.41 -0.31 0.00 0.36 0.00 0.00 54.97 57.02 1xyd s GLU 46 Cb -0.63 -4.45 -0.10 0.00 0.26 0.00 0.00 34.13 29.21 1xyd s GLU 46 CO 0.60 -2.74 1.46 0.96 -0.54 0.00 0.00 175.26 175.00 1xyd s ILE 47 N 10.10 2.77 -0.51 -3.70 -4.36 -1.26 -4.87 121.20 119.37 1xyd s ILE 47 Ca 0.90 0.61 0.15 0.00 -0.26 0.00 0.00 60.65 62.05 1xyd s ILE 47 Cb -0.20 -3.39 -0.19 0.00 1.25 0.00 0.00 42.46 39.93 1xyd s ILE 47 CO 0.28 0.08 0.56 0.29 0.24 0.00 0.00 174.94 176.38 1xyd n LYS 48 N 3.02 1.52 -4.27 0.37 5.02 -1.26 -4.89 118.16 117.67 1xyd n LYS 48 Ca 0.09 -0.04 -0.30 0.00 -2.02 0.00 0.00 58.31 56.04 1xyd n LYS 48 Cb 0.40 -1.26 -0.16 0.00 -0.02 0.00 0.00 35.03 33.98 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 -2.63 2.46 0.47 1.97 2.02 -1.26 -4.99 118.70 116.74 1xyd s GLU 49 Ca 0.02 -0.63 0.32 0.00 0.02 0.00 0.00 54.97 54.70 1xyd s GLU 49 Cb 0.11 -2.14 1.72 0.00 0.10 0.00 0.00 34.13 33.93 1xyd s GLU 49 CO 0.63 -0.14 1.97 -0.56 0.02 0.00 0.00 175.26 177.18 1xyd h GLN 50 N 7.73 0.00 -1.00 1.61 3.07 -1.99 -3.01 115.11 121.52 1xyd h GLN 50 Ca -0.36 0.00 0.34 0.00 0.09 0.00 0.00 58.65 58.72 1xyd h GLN 50 Cb 1.16 0.00 -0.15 0.00 0.08 0.00 0.00 27.48 28.56 1xyd h GLN 50 CO 0.53 0.00 0.55 1.49 0.09 0.00 0.00 178.83 181.50 1xyd h GLU 51 N 0.00 0.26 -0.03 0.06 4.81 -1.98 1.50 114.58 119.20 1xyd h GLU 51 Ca 0.00 -0.02 -0.23 0.00 -0.13 0.00 0.00 59.36 58.98 1xyd h GLU 51 Cb 0.01 -0.06 0.01 0.00 0.63 0.00 0.00 28.75 29.34 1xyd h GLU 51 CO 0.00 0.17 -0.92 -0.24 -0.73 0.00 0.00 179.01 177.29 1xyd h VAL 52 N 0.27 1.35 0.00 0.32 3.04 -1.96 -0.42 116.25 118.85 1xyd h VAL 52 Ca 0.75 -2.30 -0.02 0.00 -1.01 0.00 0.00 66.70 64.12 1xyd h VAL 52 Cb 1.75 2.31 -0.00 0.00 -2.01 0.00 0.00 31.29 33.34 1xyd h VAL 52 CO -0.64 0.70 -0.11 1.62 -1.01 0.00 0.00 177.57 178.13 1xyd h VAL 53 N 0.32 0.60 0.04 1.51 3.04 0.13 0.63 116.25 122.51 1xyd h VAL 53 Ca -0.08 -0.49 -0.23 0.00 -1.01 0.00 0.00 66.70 64.89 1xyd h VAL 53 Cb 1.55 1.31 -0.00 0.00 -2.01 0.00 0.00 31.29 32.14 1xyd h VAL 53 CO 0.17 0.11 -1.01 -0.78 -1.01 0.00 0.00 177.57 175.04 1xyd h ASP 54 N 0.00 0.37 0.15 3.17 1.82 0.20 -2.16 116.42 119.97 1xyd h ASP 54 Ca -0.00 -0.33 -0.01 0.00 -0.39 0.00 0.00 57.03 56.30 1xyd h ASP 54 Cb 0.30 -0.12 0.00 0.00 0.68 0.00 0.00 39.33 40.20 1xyd h ASP 54 CO 0.01 1.17 -0.07 0.50 -1.61 0.00 0.00 179.24 179.25 1xyd h LYS 55 N 0.13 -0.20 -0.81 0.28 3.64 0.79 -2.35 116.57 118.06 1xyd h LYS 55 Ca -0.08 0.01 0.14 0.00 -1.27 0.00 0.00 60.65 59.46 1xyd h LYS 55 Cb 1.68 0.04 -0.09 0.00 -0.41 0.00 0.00 32.23 33.45 1xyd h LYS 55 CO 0.16 0.21 0.38 -0.24 -2.27 0.00 0.00 179.45 177.70 1xyd h VAL 56 N -0.92 0.71 0.00 2.00 3.04 0.03 0.92 116.25 122.03 1xyd h VAL 56 Ca -0.02 -0.19 -0.02 0.00 -1.01 0.00 0.00 66.70 65.46 1xyd h VAL 56 Cb 0.50 0.10 -0.00 0.00 -2.01 0.00 0.00 31.29 29.88 1xyd h VAL 56 CO 0.03 0.10 -0.09 0.24 -1.01 0.00 0.00 177.57 176.84 1xyd h MET 57 N 0.56 0.00 -0.45 4.17 2.86 -1.42 0.26 114.93 120.90 1xyd h MET 57 Ca 0.44 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.96 1xyd h MET 57 Cb 0.63 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.27 1xyd h MET 57 CO -0.37 0.09 -0.18 1.49 1.06 0.00 0.00 176.91 179.00 1xyd h GLU 58 N 0.00 0.88 0.00 1.72 4.57 0.14 2.18 114.58 124.07 1xyd h GLU 58 Ca -0.00 -0.34 -0.15 0.00 -1.18 0.00 0.00 59.36 57.69 1xyd h GLU 58 Cb 0.19 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.71 1xyd h GLU 58 CO 0.01 0.99 -0.72 1.15 -1.18 0.00 0.00 179.01 179.26 1xyd h THR 59 N 0.77 1.18 0.01 0.32 2.02 -0.25 -3.37 112.91 113.59 1xyd h THR 59 Ca 0.11 -2.67 -0.41 0.00 0.77 0.00 0.00 66.41 64.21 1xyd h THR 59 Cb 0.72 2.58 -0.06 0.00 -1.74 0.00 0.00 68.15 69.64 1xyd h THR 59 CO 0.05 0.67 -2.39 0.18 0.37 0.00 0.00 175.52 174.40 1xyd n LEU 60 N -3.26 2.52 -4.54 2.58 7.99 0.74 -4.82 117.00 118.21 1xyd n LEU 60 Ca 0.01 0.10 -0.35 0.00 -0.01 0.00 0.00 56.01 55.76 1xyd n LEU 60 Cb 0.82 -0.90 -0.06 0.00 -0.11 0.00 0.00 43.42 43.16 1xyd n LEU 60 CO 0.43 0.76 2.00 -0.67 -1.51 0.00 0.00 177.39 178.40 1xyd n ASP 61 N -3.71 1.76 0.00 -1.43 2.03 0.73 -4.69 116.55 111.26 1xyd n ASP 61 Ca -0.47 -0.46 -0.19 0.00 0.52 0.00 0.00 54.79 54.18 1xyd n ASP 61 Cb 0.94 -1.43 -0.14 0.00 -0.72 0.00 0.00 41.12 39.77 1xyd n ASP 61 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 1xyd n GLU 62 N 8.80 0.74 0.00 -0.67 0.28 -1.26 -3.50 120.64 125.03 1xyd n GLU 62 Ca 0.45 0.27 0.12 0.00 -0.16 0.00 0.00 57.16 57.83 1xyd n GLU 62 Cb 0.42 -1.72 0.63 0.00 1.43 0.00 0.00 31.44 32.20 1xyd n GLU 62 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1xyd n ASP 63 N -3.42 0.00 -3.59 -1.84 5.68 -1.26 -4.86 116.55 107.27 1xyd n ASP 63 Ca -0.29 -0.16 -0.21 0.00 -0.50 0.00 0.00 54.79 53.62 1xyd n ASP 63 Cb 1.05 -0.25 0.07 0.00 -1.14 0.00 0.00 41.12 40.85 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 0.75 -0.42 0.40 6.12 0.00 -1.23 -4.88 105.19 105.93 1xyd n GLY 64 Ca 0.13 0.16 0.08 0.00 0.00 0.00 0.00 46.02 46.39 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 -3.05 1.72 0.00 1.61 5.75 -1.26 -4.94 116.55 116.38 1xyd n ASP 65 Ca -0.16 -1.36 0.00 0.00 -0.01 0.00 0.00 54.79 53.26 1xyd n ASP 65 Cb 0.62 0.45 0.00 0.00 -1.03 0.00 0.00 41.12 41.16 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 1.17 1.50 3.55 6.12 0.00 -1.26 -4.96 105.19 111.31 1xyd n GLY 66 Ca 0.07 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.09 1.83 -0.43 1.61 2.02 -1.26 -4.79 118.70 117.58 1xyd s GLU 67 Ca 0.00 -1.97 0.02 0.00 0.02 0.00 0.00 54.97 53.04 1xyd s GLU 67 Cb 0.00 -1.60 0.13 0.00 0.10 0.00 0.00 34.13 32.76 1xyd s GLU 67 CO 0.00 0.06 0.21 0.00 0.02 0.00 0.00 175.26 175.55 1xyd n ASP 69 N 3.67 -2.41 0.18 0.00 8.00 -1.26 -3.25 116.55 121.48 1xyd n ASP 69 Ca 0.06 -0.30 0.03 0.00 0.71 0.00 0.00 54.79 55.29 1xyd n ASP 69 Cb 0.35 -0.43 0.33 0.00 -0.02 0.00 0.00 41.12 41.36 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 -2.40 0.00 -0.23 1.24 -5.15 -1.98 0.32 116.94 108.75 1xyd h PHE 70 Ca -0.13 0.00 -0.06 0.00 -0.20 0.00 0.00 57.97 57.57 1xyd h PHE 70 Cb 0.45 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.62 1xyd h PHE 70 CO 0.00 0.42 -0.11 0.37 -2.00 0.00 0.00 178.31 176.99 1xyd h GLN 71 N 0.00 0.48 0.03 6.09 4.15 -1.98 -2.90 115.11 120.98 1xyd h GLN 71 Ca -0.00 -0.21 -0.31 0.00 0.77 0.00 0.00 58.65 58.89 1xyd h GLN 71 Cb 0.81 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 28.44 1xyd h GLN 71 CO 0.05 0.75 -1.81 -0.85 -1.93 0.00 0.00 178.83 175.05 1xyd n GLU 72 N -4.51 0.67 -0.24 1.69 0.28 -1.22 -3.42 120.64 113.88 1xyd n GLU 72 Ca -0.04 0.28 0.04 0.00 -0.16 0.00 0.00 57.16 57.27 1xyd n GLU 72 Cb 0.34 -1.76 0.16 0.00 1.43 0.00 0.00 31.44 31.61 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 0.02 0.43 -0.53 -1.84 3.57 -1.00 0.55 116.94 118.14 1xyd h PHE 73 Ca -0.33 0.04 -0.08 0.00 3.53 0.00 0.00 57.97 61.12 1xyd h PHE 73 Cb 2.03 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 40.67 1xyd h PHE 73 CO 0.02 0.05 -0.00 1.98 -2.23 0.00 0.00 178.31 178.12 1xyd h MET 74 N 0.40 0.93 -0.24 1.11 4.05 -1.64 -0.87 114.93 118.67 1xyd h MET 74 Ca 0.38 -0.30 0.07 0.00 -0.28 0.00 0.00 59.70 59.57 1xyd h MET 74 Cb 0.56 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 31.27 1xyd h MET 74 CO -0.39 0.95 0.44 0.00 0.23 0.00 0.00 176.91 178.13 1xyd h ALA 75 N 0.95 1.80 0.12 0.39 0.00 -0.00 0.12 119.26 122.63 1xyd h ALA 75 Ca 0.15 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1xyd h ALA 75 Cb 0.53 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1xyd h ALA 75 CO 0.03 -0.56 -0.06 0.35 0.00 0.00 0.00 179.25 179.01 1xyd h PHE 76 N 0.00 -0.15 -0.31 0.00 3.57 0.47 -1.41 116.94 119.12 1xyd h PHE 76 Ca 0.11 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.65 1xyd h PHE 76 Cb 0.98 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.75 1xyd h PHE 76 CO 0.00 0.27 0.21 0.28 -2.23 0.00 0.00 178.31 176.84 1xyd h VAL 77 N -0.62 0.97 -0.05 1.41 2.07 -0.83 0.48 116.25 119.70 1xyd h VAL 77 Ca -0.02 -0.08 -0.05 0.00 0.82 0.00 0.00 66.70 67.37 1xyd h VAL 77 Cb 0.48 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1xyd h VAL 77 CO 0.03 0.04 -0.21 0.77 0.02 0.00 0.00 177.57 178.23 1xyd h SER 78 N 0.24 0.07 0.70 0.57 4.64 -0.93 1.59 113.55 120.43 1xyd h SER 78 Ca 0.13 -0.01 -0.19 0.00 -0.47 0.00 0.00 61.79 61.25 1xyd h SER 78 Cb 0.22 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.28 1xyd h SER 78 CO -0.03 0.28 -0.88 -0.03 -0.87 0.00 0.00 176.83 175.31 1xyd h MET 79 N 0.07 0.11 0.04 4.77 -1.53 0.10 0.31 114.93 118.80 1xyd h MET 79 Ca 0.01 -0.13 -0.27 0.00 -3.44 0.00 0.00 59.70 55.87 1xyd h MET 79 Cb 0.41 0.04 -0.03 0.00 -0.55 0.00 0.00 31.60 31.47 1xyd h MET 79 CO 0.03 0.91 -1.41 -0.39 0.14 0.00 0.00 176.91 176.19 1xyd h VAL 80 N 0.06 1.24 -0.37 -5.77 -1.51 -0.41 -3.10 116.25 106.39 1xyd h VAL 80 Ca -0.03 -2.98 -0.14 0.00 -1.23 0.00 0.00 66.70 62.33 1xyd h VAL 80 Cb 1.52 2.68 -0.01 0.00 -2.13 0.00 0.00 31.29 33.35 1xyd h VAL 80 CO 0.13 0.77 -0.31 0.74 -1.23 0.00 0.00 177.57 177.66 1xyd h THR 81 N 0.02 1.28 -0.69 7.19 2.02 0.23 -2.06 112.91 120.90 1xyd h THR 81 Ca -0.18 -1.47 -0.02 0.00 0.77 0.00 0.00 66.41 65.52 1xyd h THR 81 Cb 1.93 1.33 -0.03 0.00 -1.74 0.00 0.00 68.15 69.63 1xyd h THR 81 CO 0.12 0.49 0.37 0.71 0.37 0.00 0.00 175.52 177.58 1xyd h THR 82 N 0.68 1.21 -0.17 3.16 1.35 -0.41 -0.31 112.91 118.41 1xyd h THR 82 Ca 0.07 -0.53 -0.05 0.00 -0.55 0.00 0.00 66.41 65.35 1xyd h THR 82 Cb 0.86 0.29 -0.00 0.00 -1.73 0.00 0.00 68.15 67.56 1xyd h THR 82 CO 0.08 0.23 -0.08 0.00 -0.25 0.00 0.00 175.52 175.50 1xyd h ALA 83 N 1.44 0.25 -0.93 6.62 0.00 -1.42 0.43 119.26 125.65 1xyd h ALA 83 Ca 0.24 -0.27 0.15 0.00 0.00 0.00 0.00 54.91 55.04 1xyd h ALA 83 Cb 0.04 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 17.69 1xyd h ALA 83 CO -0.04 0.05 0.59 0.00 0.00 0.00 0.00 179.25 179.86 1xyd h HIS 85 N 0.72 0.00 -0.00 0.00 6.17 -0.66 -2.85 115.15 118.53 1xyd h HIS 85 Ca 0.48 0.00 -0.02 0.00 0.71 0.00 0.00 60.37 61.54 1xyd h HIS 85 Cb 0.76 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.70 1xyd h HIS 85 CO -0.00 0.60 -0.07 1.49 0.71 0.00 0.00 177.93 180.66 1xyd h GLU 86 N 0.00 0.06 -0.16 5.26 4.81 0.25 -1.07 114.58 123.73 1xyd h GLU 86 Ca -0.01 -0.06 0.05 0.00 -0.13 0.00 0.00 59.36 59.22 1xyd h GLU 86 Cb 1.15 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 30.49 1xyd h GLU 86 CO 0.08 0.80 -0.18 0.74 -0.73 0.00 0.00 179.01 179.71 1xyd h PHE 87 N -0.66 -0.47 0.53 0.92 0.04 -0.15 0.33 116.94 117.48 1xyd h PHE 87 Ca -0.01 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.76 1xyd h PHE 87 Cb 0.82 0.23 0.01 0.00 2.20 0.00 0.00 35.95 39.21 1xyd h PHE 87 CO 0.18 -0.26 -0.25 0.35 -0.60 0.00 0.00 178.31 177.74 1xyd h PHE 88 N -0.22 -0.65 -0.24 -0.55 3.57 -1.58 -2.98 116.94 114.29 1xyd h PHE 88 Ca 0.11 -0.02 -0.22 0.00 3.53 0.00 0.00 57.97 61.37 1xyd h PHE 88 Cb 0.37 0.22 -0.08 0.00 2.79 0.00 0.00 35.95 39.25 1xyd h PHE 88 CO -0.31 -0.41 -0.10 -1.91 -2.23 0.00 0.00 178.31 173.35 1xyd n GLU 89 N -4.06 1.86 -2.06 1.11 2.13 -0.40 -4.87 120.64 114.34 1xyd n GLU 89 Ca -0.09 -1.10 -0.39 0.00 0.66 0.00 0.00 57.16 56.25 1xyd n GLU 89 Cb 0.28 -1.80 -0.03 0.00 0.27 0.00 0.00 31.44 30.16 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 0.07 1.69 -2.00 4.31 2.46 0.11 -4.78 115.29 117.15 1xyd s HIS 90 Ca 0.49 0.75 0.18 0.00 0.47 0.00 0.00 55.06 56.96 1xyd s HIS 90 Cb 0.26 -4.11 1.06 0.00 -0.13 0.00 0.00 32.58 29.67 1xyd s HIS 90 CO -0.04 -2.31 1.46 0.39 -2.47 0.00 0.00 174.74 171.77