#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 0.98 0.30 3.17 3.41 -1.26 -4.85 113.62 115.36 1xyd n SER 1 Ca 0.00 -1.23 0.13 0.00 -0.26 0.00 0.00 58.87 57.51 1xyd n SER 1 Cb 0.00 -0.02 0.70 0.00 -0.26 0.00 0.00 64.21 64.64 1xyd n SER 1 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1xyd h GLU 2 N 0.00 0.00 0.00 4.33 5.08 -2.06 0.37 114.58 122.30 1xyd h GLU 2 Ca -0.04 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.14 1xyd h GLU 2 Cb 0.16 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 1xyd h GLU 2 CO 0.07 0.00 -1.09 -0.07 -1.00 0.00 0.00 179.01 176.92 1xyd h LEU 3 N 0.00 0.00 -0.21 1.33 -0.00 -2.00 -3.13 115.31 111.30 1xyd h LEU 3 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.88 57.78 1xyd h LEU 3 Cb 0.65 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.30 1xyd h LEU 3 CO 0.00 0.70 -0.46 -0.08 -0.00 0.00 0.00 178.44 178.60 1xyd h GLU 4 N 0.00 0.00 0.01 1.13 4.81 -0.60 -2.56 114.58 117.38 1xyd h GLU 4 Ca -0.10 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1xyd h GLU 4 Cb 1.62 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.00 1xyd h GLU 4 CO 0.07 0.46 -0.01 0.87 -0.73 0.00 0.00 179.01 179.68 1xyd h LYS 5 N 0.00 -0.02 0.45 1.92 1.57 -1.57 -2.49 116.57 116.44 1xyd h LYS 5 Ca -0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1xyd h LYS 5 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.59 1xyd h LYS 5 CO 0.06 0.69 -0.22 0.00 -0.57 0.00 0.00 179.45 179.41 1xyd h ALA 6 N 0.18 -0.61 -0.86 3.86 0.00 -1.60 0.21 119.26 120.45 1xyd h ALA 6 Ca -0.00 -0.13 0.13 0.00 0.00 0.00 0.00 54.91 54.91 1xyd h ALA 6 Cb 0.72 0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.68 1xyd h ALA 6 CO 0.00 -0.84 0.56 0.52 0.00 0.00 0.00 179.25 179.49 1xyd h MET 7 N -0.61 0.67 -0.05 0.00 2.86 -1.57 -0.40 114.93 115.83 1xyd h MET 7 Ca -0.06 -0.04 -0.05 0.00 -2.06 0.00 0.00 59.70 57.49 1xyd h MET 7 Cb 0.46 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.98 1xyd h MET 7 CO 0.10 0.44 -0.17 0.28 1.06 0.00 0.00 176.91 178.62 1xyd h VAL 8 N 0.69 1.44 -0.83 -2.22 2.07 -0.97 -1.45 116.25 114.99 1xyd h VAL 8 Ca 0.42 -1.57 0.12 0.00 0.82 0.00 0.00 66.70 66.50 1xyd h VAL 8 Cb 0.65 2.33 -0.06 0.00 -1.52 0.00 0.00 31.29 32.69 1xyd h VAL 8 CO -0.18 0.44 0.54 0.00 0.02 0.00 0.00 177.57 178.39 1xyd h ALA 9 N 0.43 1.82 0.02 1.67 0.00 0.34 -2.85 119.26 120.70 1xyd h ALA 9 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1xyd h ALA 9 Cb 0.79 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1xyd h ALA 9 CO 0.04 -0.02 -0.14 -0.07 0.00 0.00 0.00 179.25 179.05 1xyd h LEU 10 N 0.69 0.08 -1.87 0.00 4.07 -1.05 -3.18 115.31 114.05 1xyd h LEU 10 Ca 0.40 -0.99 0.41 0.00 0.08 0.00 0.00 57.88 57.78 1xyd h LEU 10 Cb 0.59 -0.03 -0.06 0.00 1.08 0.00 0.00 40.66 42.25 1xyd h LEU 10 CO -0.17 1.07 1.09 0.40 -1.08 0.00 0.00 178.44 179.75 1xyd h ILE 11 N -0.88 0.20 0.00 1.22 2.04 -1.02 2.96 117.51 122.02 1xyd h ILE 11 Ca -0.03 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.83 1xyd h ILE 11 Cb 1.11 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 37.41 1xyd h ILE 11 CO 0.03 0.00 -0.00 -0.78 0.00 0.00 0.00 178.15 177.40 1xyd h ASP 12 N 0.00 -0.00 0.93 1.72 1.82 -1.60 -2.18 116.42 117.10 1xyd h ASP 12 Ca 0.67 -0.90 -0.11 0.00 -0.39 0.00 0.00 57.03 56.30 1xyd h ASP 12 Cb 2.84 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 42.83 1xyd h ASP 12 CO -0.01 0.93 -0.51 0.58 -1.61 0.00 0.00 179.24 178.62 1xyd h VAL 13 N -0.96 1.07 -0.11 2.25 2.07 -0.36 -1.64 116.25 118.57 1xyd h VAL 13 Ca -0.00 -1.95 -0.14 0.00 0.82 0.00 0.00 66.70 65.43 1xyd h VAL 13 Cb 0.90 2.15 0.01 0.00 -1.52 0.00 0.00 31.29 32.83 1xyd h VAL 13 CO 0.00 0.50 -0.49 0.15 0.02 0.00 0.00 177.57 177.75 1xyd h PHE 14 N 0.00 0.70 0.04 1.57 3.57 0.50 -2.85 116.94 120.47 1xyd h PHE 14 Ca -0.01 -0.30 -0.22 0.00 3.53 0.00 0.00 57.97 60.97 1xyd h PHE 14 Cb 1.11 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.73 1xyd h PHE 14 CO 0.00 1.08 -1.02 1.25 -2.23 0.00 0.00 178.31 177.39 1xyd h HIS 15 N 0.13 0.30 -0.39 0.41 2.76 -1.38 -1.37 115.15 115.60 1xyd h HIS 15 Ca -0.03 -0.19 -0.12 0.00 -2.20 0.00 0.00 60.37 57.83 1xyd h HIS 15 Cb 1.13 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 30.05 1xyd h HIS 15 CO 0.11 1.08 -0.22 1.96 -1.30 0.00 0.00 177.93 179.56 1xyd h GLN 16 N 0.08 0.78 0.00 5.26 1.08 -1.37 0.17 115.11 121.11 1xyd h GLN 16 Ca -0.07 -0.32 -0.08 0.00 -1.45 0.00 0.00 58.65 56.74 1xyd h GLN 16 Cb 1.71 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 29.09 1xyd h GLN 16 CO 0.16 0.93 -0.59 1.88 -0.95 0.00 0.00 178.83 180.25 1xyd h TYR 17 N 0.68 0.00 -0.08 2.96 -1.99 -1.58 -2.16 116.97 114.80 1xyd h TYR 17 Ca 0.09 0.00 0.02 0.00 2.00 0.00 0.00 58.73 60.85 1xyd h TYR 17 Cb 0.74 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.46 1xyd h TYR 17 CO 0.04 0.71 0.24 0.66 -0.00 0.00 0.00 178.16 179.81 1xyd h SER 18 N -1.00 0.00 -0.15 3.88 4.64 -1.34 0.81 113.55 120.38 1xyd h SER 18 Ca -0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 1xyd h SER 18 Cb 0.79 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 1xyd h SER 18 CO -0.07 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.50 1xyd n GLY 19 N -1.26 1.17 0.12 -0.77 0.00 0.58 -3.59 105.19 101.45 1xyd n GLY 19 Ca -0.00 -0.69 -0.12 0.00 0.00 0.00 0.00 46.02 45.21 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 4.45 0.31 -2.69 1.61 2.43 0.13 -3.46 114.38 117.16 1xyd h ARG 20 Ca 0.00 -0.11 -0.09 0.00 -0.81 0.00 0.00 59.98 58.97 1xyd h ARG 20 Cb 0.96 -0.02 -0.19 0.00 -0.42 0.00 0.00 29.97 30.30 1xyd h ARG 20 CO 0.00 0.56 -0.07 -1.83 -1.51 0.00 0.00 179.97 177.12 1xyd s GLU 21 N -4.84 0.87 0.00 0.20 -1.05 -1.26 -5.10 118.70 107.52 1xyd s GLU 21 Ca -0.14 -0.09 0.00 0.00 -0.15 0.00 0.00 54.97 54.59 1xyd s GLU 21 Cb 0.06 0.39 0.00 0.00 -0.44 0.00 0.00 34.13 34.14 1xyd s GLU 21 CO 0.73 -0.27 0.00 0.41 0.95 0.00 0.00 175.26 177.08 1xyd n GLY 22 N 0.95 -1.90 0.00 -3.83 0.00 -1.26 -4.78 105.19 94.36 1xyd n GLY 22 Ca -0.20 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 43.81 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 0.00 0.00 0.00 1.61 -0.08 -1.26 -4.92 116.55 111.90 1xyd n ASP 23 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1xyd n ASP 23 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1xyd n ASP 23 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1xyd n LYS 24 N 0.00 0.00 -2.12 -0.67 3.00 -1.26 -4.98 118.16 112.13 1xyd n LYS 24 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 58.31 58.32 1xyd n LYS 24 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 35.03 35.06 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 0.39 -4.10 5.64 8.25 -1.24 -3.84 115.22 120.32 1xyd n HIS 25 Ca 0.00 -1.29 -0.14 0.00 -0.26 0.00 0.00 57.72 56.03 1xyd n HIS 25 Cb 0.01 -0.01 -0.13 0.00 1.12 0.00 0.00 29.99 30.98 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 -1.62 0.49 -0.05 -0.41 1.02 -1.25 -4.36 119.74 113.56 1xyd s LYS 26 Ca 0.27 -0.55 -0.13 0.00 0.02 0.00 0.00 55.97 55.58 1xyd s LYS 26 Cb 0.34 -0.34 -0.05 0.00 -0.52 0.00 0.00 37.83 37.25 1xyd s LYS 26 CO -0.10 0.07 0.34 -0.51 -0.92 0.00 0.00 175.35 174.24 1xyd s LEU 27 N -1.04 4.42 0.20 3.17 1.02 -1.19 -4.36 118.68 120.90 1xyd s LEU 27 Ca -0.05 0.80 0.07 0.00 0.02 0.00 0.00 54.13 54.97 1xyd s LEU 27 Cb -0.07 -2.46 -0.04 0.00 0.02 0.00 0.00 46.19 43.65 1xyd s LEU 27 CO 0.00 0.31 0.07 -0.54 0.02 0.00 0.00 176.35 176.21 1xyd s LYS 28 N -0.83 2.62 0.24 1.70 1.02 -1.26 -3.16 119.74 120.08 1xyd s LYS 28 Ca 0.21 -1.08 -0.10 0.00 0.02 0.00 0.00 55.97 55.02 1xyd s LYS 28 Cb -0.15 -2.44 0.37 0.00 -0.52 0.00 0.00 37.83 35.08 1xyd s LYS 28 CO 0.10 0.44 1.61 0.87 -0.92 0.00 0.00 175.35 177.45 1xyd h LYS 29 N 2.26 0.02 0.00 1.68 1.57 -1.98 2.35 116.57 122.48 1xyd h LYS 29 Ca -0.47 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1xyd h LYS 29 Cb 1.22 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1xyd h LYS 29 CO 0.60 0.02 0.40 0.66 -0.57 0.00 0.00 179.45 180.56 1xyd h SER 30 N 0.02 0.00 0.00 0.86 4.64 -1.98 0.20 113.55 117.30 1xyd h SER 30 Ca 0.39 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 61.30 1xyd h SER 30 Cb 0.63 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.66 1xyd h SER 30 CO -0.77 0.00 -2.41 -0.62 -0.87 0.00 0.00 176.83 172.16 1xyd n GLU 31 N -2.13 0.56 -0.12 4.77 1.02 0.78 -3.22 120.64 122.29 1xyd n GLU 31 Ca -0.01 0.21 -0.02 0.00 -0.02 0.00 0.00 57.16 57.33 1xyd n GLU 31 Cb 0.42 -1.43 0.22 0.00 -0.02 0.00 0.00 31.44 30.64 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 -0.70 0.74 0.15 -4.62 5.85 0.46 2.43 115.31 119.62 1xyd h LEU 32 Ca -0.62 -0.11 -0.31 0.00 0.84 0.00 0.00 57.88 57.68 1xyd h LEU 32 Cb 1.63 -0.19 0.01 0.00 0.37 0.00 0.00 40.66 42.48 1xyd h LEU 32 CO -0.32 0.70 -1.48 0.50 -0.34 0.00 0.00 178.44 177.50 1xyd h LYS 33 N 0.79 0.32 0.01 1.25 3.11 -0.91 -2.97 116.57 118.16 1xyd h LYS 33 Ca 0.18 -0.55 -0.19 0.00 -2.81 0.00 0.00 60.65 57.29 1xyd h LYS 33 Cb 0.21 0.20 -0.02 0.00 -1.00 0.00 0.00 32.23 31.63 1xyd h LYS 33 CO -0.01 1.22 -0.88 1.49 -2.81 0.00 0.00 179.45 178.45 1xyd h GLU 34 N 0.09 0.05 -0.01 1.90 4.81 -1.43 -2.24 114.58 117.75 1xyd h GLU 34 Ca -0.23 -0.07 -0.13 0.00 -0.13 0.00 0.00 59.36 58.81 1xyd h GLU 34 Cb 2.04 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 31.42 1xyd h GLU 34 CO 0.19 0.90 -0.60 1.25 -0.73 0.00 0.00 179.01 180.02 1xyd h LEU 35 N 0.03 0.02 -0.01 1.64 5.85 0.40 0.33 115.31 123.57 1xyd h LEU 35 Ca -0.02 -0.01 -0.27 0.00 0.84 0.00 0.00 57.88 58.42 1xyd h LEU 35 Cb 1.54 -0.01 0.02 0.00 0.37 0.00 0.00 40.66 42.59 1xyd h LEU 35 CO 0.12 0.62 -1.07 0.40 -0.34 0.00 0.00 178.44 178.17 1xyd h ILE 36 N 0.01 1.30 0.00 4.05 2.04 -1.43 0.10 117.51 123.59 1xyd h ILE 36 Ca -0.01 -2.33 -0.10 0.00 1.00 0.00 0.00 64.86 63.42 1xyd h ILE 36 Cb 1.07 2.45 -0.01 0.00 -0.74 0.00 0.00 36.82 39.58 1xyd h ILE 36 CO 0.08 0.71 -0.66 -1.13 0.00 0.00 0.00 178.15 177.16 1xyd h ASN 37 N 0.34 0.00 0.03 1.72 -0.00 -1.30 -1.46 115.58 114.92 1xyd h ASN 37 Ca -0.13 0.00 -0.37 0.00 -0.00 0.00 0.00 56.30 55.79 1xyd h ASN 37 Cb 1.72 0.00 -0.05 0.00 -0.00 0.00 0.00 38.32 39.99 1xyd h ASN 37 CO 0.20 0.42 -2.15 0.59 -0.00 0.00 0.00 177.43 176.50 1xyd n ASN 38 N -3.11 1.99 -0.00 1.15 4.13 0.11 -4.39 115.26 115.15 1xyd n ASN 38 Ca -0.00 0.17 -0.00 0.00 1.68 0.00 0.00 54.58 56.42 1xyd n ASN 38 Cb 0.72 -0.73 -0.00 0.00 -1.54 0.00 0.00 39.78 38.23 1xyd n ASN 38 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1xyd n GLU 39 N -3.77 0.02 -0.31 3.52 4.71 0.24 -4.47 120.64 120.59 1xyd n GLU 39 Ca -0.42 0.03 0.00 0.00 -0.01 0.00 0.00 57.16 56.76 1xyd n GLU 39 Cb 0.93 -0.56 0.00 0.00 -1.01 0.00 0.00 31.44 30.80 1xyd n GLU 39 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1xyd n LEU 40 N -2.58 3.54 0.07 -4.62 4.77 -0.53 -3.76 117.00 113.90 1xyd n LEU 40 Ca -0.01 -1.61 0.11 0.00 -0.03 0.00 0.00 56.01 54.48 1xyd n LEU 40 Cb 0.02 -0.74 -0.04 0.00 -2.33 0.00 0.00 43.42 40.34 1xyd n LEU 40 CO 0.01 0.66 -0.17 -1.54 -1.33 0.00 0.00 177.39 175.02 1xyd n SER 41 N 1.54 0.61 0.08 -1.43 3.41 -0.55 -0.98 113.62 116.31 1xyd n SER 41 Ca 0.00 0.19 0.11 0.00 -0.26 0.00 0.00 58.87 58.91 1xyd n SER 41 Cb 0.35 0.87 -0.03 0.00 -0.26 0.00 0.00 64.21 65.13 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 -2.50 0.81 -0.07 7.33 8.25 -1.25 -4.34 115.22 123.45 1xyd n HIS 42 Ca -0.01 0.24 -0.10 0.00 -0.26 0.00 0.00 57.72 57.59 1xyd n HIS 42 Cb 0.54 -0.89 -0.07 0.00 1.12 0.00 0.00 29.99 30.69 1xyd n HIS 42 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1xyd n PHE 43 N -2.62 0.00 -3.99 4.41 -0.00 -1.26 -4.97 117.46 109.03 1xyd n PHE 43 Ca -0.01 0.00 -0.36 0.00 -0.00 0.00 0.00 57.45 57.08 1xyd n PHE 43 Cb 0.57 -0.57 -0.07 0.00 -0.00 0.00 0.00 39.48 39.41 1xyd n PHE 43 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.76 175.59 1xyd s LEU 44 N -5.86 4.13 0.14 -2.13 2.96 -0.15 -5.03 118.68 112.74 1xyd s LEU 44 Ca -0.20 0.34 -0.34 0.00 -0.22 0.00 0.00 54.13 53.71 1xyd s LEU 44 Cb 0.05 -2.00 -0.16 0.00 0.50 0.00 0.00 46.19 44.58 1xyd s LEU 44 CO 0.34 0.36 1.22 -0.62 -1.32 0.00 0.00 176.35 176.33 1xyd n GLU 45 N 2.30 1.13 -1.50 1.98 1.02 -1.26 -4.09 120.64 120.23 1xyd n GLU 45 Ca -0.19 0.41 -0.13 0.00 -0.02 0.00 0.00 57.16 57.23 1xyd n GLU 45 Cb 0.54 -1.95 -0.10 0.00 -0.02 0.00 0.00 31.44 29.91 1xyd n GLU 45 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 1xyd n GLU 46 N 2.00 0.25 -1.68 3.49 0.28 -1.26 -4.84 120.64 118.88 1xyd n GLU 46 Ca 0.16 -1.01 -0.46 0.00 -0.16 0.00 0.00 57.16 55.69 1xyd n GLU 46 Cb 0.22 -3.20 -0.04 0.00 1.43 0.00 0.00 31.44 29.85 1xyd n GLU 46 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 1xyd n ILE 47 N 8.09 0.39 0.09 3.84 5.41 -1.26 -4.81 119.36 131.10 1xyd n ILE 47 Ca 0.41 -0.07 0.03 0.00 1.00 0.00 0.00 62.75 64.12 1xyd n ILE 47 Cb 0.42 -1.85 -0.04 0.00 -0.71 0.00 0.00 39.64 37.47 1xyd n ILE 47 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 1xyd n LYS 48 N 5.57 2.00 -3.91 0.38 4.81 -1.26 -4.63 118.16 121.12 1xyd n LYS 48 Ca 0.20 -0.03 -0.29 0.00 -0.87 0.00 0.00 58.31 57.32 1xyd n LYS 48 Cb 0.31 -0.99 -0.04 0.00 0.02 0.00 0.00 35.03 34.34 1xyd n LYS 48 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1xyd s GLU 49 N -2.06 3.45 -0.07 1.64 2.02 -1.26 -5.02 118.70 117.41 1xyd s GLU 49 Ca -0.01 -0.48 0.15 0.00 0.02 0.00 0.00 54.97 54.66 1xyd s GLU 49 Cb 0.04 -3.00 -0.22 0.00 0.10 0.00 0.00 34.13 31.05 1xyd s GLU 49 CO 0.22 0.56 0.52 1.04 0.02 0.00 0.00 175.26 177.62 1xyd n GLN 50 N -0.06 0.65 -0.31 1.61 6.02 -1.26 -4.12 117.38 119.90 1xyd n GLN 50 Ca -0.06 0.19 0.33 0.00 -0.01 0.00 0.00 57.00 57.45 1xyd n GLN 50 Cb 0.52 -1.71 0.72 0.00 1.02 0.00 0.00 30.24 30.79 1xyd n GLN 50 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1xyd h GLU 51 N 0.00 0.05 -0.02 -1.09 5.08 -1.98 1.13 114.58 117.75 1xyd h GLU 51 Ca -0.33 -0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 57.78 1xyd h GLU 51 Cb 1.98 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 31.23 1xyd h GLU 51 CO 0.06 0.03 -0.97 -0.24 -1.00 0.00 0.00 179.01 176.89 1xyd h VAL 52 N 0.05 1.33 0.00 3.13 3.04 -1.99 -0.96 116.25 120.86 1xyd h VAL 52 Ca 0.56 -2.30 -0.03 0.00 -1.01 0.00 0.00 66.70 63.92 1xyd h VAL 52 Cb 2.13 2.35 -0.00 0.00 -2.01 0.00 0.00 31.29 33.76 1xyd h VAL 52 CO -0.05 0.70 -0.12 1.62 -1.01 0.00 0.00 177.57 178.71 1xyd h VAL 53 N 0.33 0.41 0.00 1.51 3.04 0.86 1.02 116.25 123.43 1xyd h VAL 53 Ca -0.10 -0.68 -0.18 0.00 -1.01 0.00 0.00 66.70 64.72 1xyd h VAL 53 Cb 1.61 1.49 -0.02 0.00 -2.01 0.00 0.00 31.29 32.36 1xyd h VAL 53 CO 0.18 0.12 -0.86 -0.78 -1.01 0.00 0.00 177.57 175.23 1xyd h ASP 54 N 0.00 0.07 0.00 3.17 1.82 0.22 -2.89 116.42 118.81 1xyd h ASP 54 Ca -0.00 -0.06 -0.06 0.00 -0.39 0.00 0.00 57.03 56.52 1xyd h ASP 54 Cb 0.48 -0.02 -0.01 0.00 0.68 0.00 0.00 39.33 40.46 1xyd h ASP 54 CO 0.02 0.89 -0.36 0.50 -1.61 0.00 0.00 179.24 178.68 1xyd h LYS 55 N 0.03 0.00 -0.90 0.28 1.63 0.43 -3.10 116.57 114.94 1xyd h LYS 55 Ca -0.02 0.00 0.24 0.00 -0.85 0.00 0.00 60.65 60.02 1xyd h LYS 55 Cb 1.50 0.00 -0.13 0.00 -0.60 0.00 0.00 32.23 33.00 1xyd h LYS 55 CO 0.12 0.75 0.36 -0.24 -3.45 0.00 0.00 179.45 176.99 1xyd h VAL 56 N -1.00 0.40 -0.14 2.00 3.04 0.87 1.85 116.25 123.27 1xyd h VAL 56 Ca -0.09 -0.11 -0.05 0.00 -1.01 0.00 0.00 66.70 65.44 1xyd h VAL 56 Cb 0.87 0.05 -0.01 0.00 -2.01 0.00 0.00 31.29 30.19 1xyd h VAL 56 CO -0.05 0.06 -0.14 0.24 -1.01 0.00 0.00 177.57 176.67 1xyd h MET 57 N 0.32 0.21 -0.19 4.17 2.86 -1.62 0.11 114.93 120.79 1xyd h MET 57 Ca 0.58 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 58.16 1xyd h MET 57 Cb 1.15 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.77 1xyd h MET 57 CO -0.58 0.36 0.08 1.49 1.06 0.00 0.00 176.91 179.31 1xyd h GLU 58 N 0.20 0.26 0.04 1.72 4.81 0.29 2.41 114.58 124.32 1xyd h GLU 58 Ca 0.04 -0.02 -0.31 0.00 -0.13 0.00 0.00 59.36 58.93 1xyd h GLU 58 Cb 0.37 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.66 1xyd h GLU 58 CO 0.02 0.22 -1.79 2.41 -0.73 0.00 0.00 179.01 179.14 1xyd n THR 59 N -4.45 1.67 -0.03 0.32 -1.04 -0.57 -4.41 114.28 105.76 1xyd n THR 59 Ca -0.00 -0.75 -0.22 0.00 -2.04 0.00 0.00 64.05 61.04 1xyd n THR 59 Cb 0.12 -1.25 -0.13 0.00 -1.82 0.00 0.00 70.33 67.24 1xyd n THR 59 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1xyd h LEU 60 N 0.02 0.29 -8.40 -4.42 -0.00 -0.31 -3.43 115.31 99.05 1xyd h LEU 60 Ca -0.33 -0.80 -0.31 0.00 -0.00 0.00 0.00 57.88 56.44 1xyd h LEU 60 Cb 2.02 -0.09 -0.02 0.00 -0.00 0.00 0.00 40.66 42.57 1xyd h LEU 60 CO 0.08 1.69 1.17 -0.67 -0.00 0.00 0.00 178.44 180.72 1xyd n ASP 61 N -3.88 1.61 -0.01 -0.43 2.03 0.81 -4.67 116.55 112.01 1xyd n ASP 61 Ca -0.30 -0.74 -0.17 0.00 0.52 0.00 0.00 54.79 54.09 1xyd n ASP 61 Cb 0.90 -1.45 -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 -1.84 -1.92 0.00 0.00 177.20 173.44 1xyd n GLU 62 N 8.61 0.72 0.00 -0.67 0.28 -1.26 -3.69 120.64 124.62 1xyd n GLU 62 Ca 0.46 0.27 0.15 0.00 -0.16 0.00 0.00 57.16 57.88 1xyd n GLU 62 Cb 0.42 -1.73 0.75 0.00 1.43 0.00 0.00 31.44 32.31 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 -3.34 0.23 -3.11 -1.84 5.75 -1.26 -4.89 116.55 108.09 1xyd n ASP 63 Ca -0.28 -0.58 -0.17 0.00 -0.01 0.00 0.00 54.79 53.75 1xyd n ASP 63 Cb 1.05 -0.12 0.07 0.00 -1.03 0.00 0.00 41.12 41.09 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 1.20 -0.28 0.36 6.12 0.00 -1.24 -4.89 105.19 106.46 1xyd n GLY 64 Ca 0.17 0.06 0.11 0.00 0.00 0.00 0.00 46.02 46.36 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 -2.61 1.71 0.00 1.61 5.68 -1.26 -4.91 116.55 116.76 1xyd n ASP 65 Ca -0.13 -1.34 0.00 0.00 -0.50 0.00 0.00 54.79 52.82 1xyd n ASP 65 Cb 0.60 0.56 0.00 0.00 -1.14 0.00 0.00 41.12 41.15 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 1.43 0.43 3.66 6.12 0.00 -1.26 -4.90 105.19 110.67 1xyd n GLY 66 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.58 2.06 -0.49 1.61 8.01 -1.26 -4.81 118.70 123.26 1xyd s GLU 67 Ca 0.00 -2.28 0.03 0.00 0.01 0.00 0.00 54.97 52.73 1xyd s GLU 67 Cb 0.00 -1.28 0.14 0.00 -4.31 0.00 0.00 34.13 28.69 1xyd s GLU 67 CO 0.00 -0.34 0.29 0.00 0.01 0.00 0.00 175.26 175.22 1xyd n ASP 69 N 3.19 -2.02 0.11 0.00 2.03 -1.26 -3.19 116.55 115.41 1xyd n ASP 69 Ca 0.12 -0.20 -0.03 0.00 0.52 0.00 0.00 54.79 55.20 1xyd n ASP 69 Cb 0.36 -0.29 0.08 0.00 -0.72 0.00 0.00 41.12 40.54 1xyd n ASP 69 CO 0.00 0.00 0.00 2.19 -1.92 0.00 0.00 177.20 177.47 1xyd h PHE 70 N -2.13 0.01 -0.32 -0.67 -5.15 -1.99 0.32 116.94 107.02 1xyd h PHE 70 Ca -0.09 -0.01 -0.17 0.00 -0.20 0.00 0.00 57.97 57.50 1xyd h PHE 70 Cb 0.30 -0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.46 1xyd h PHE 70 CO 0.00 0.74 -0.47 0.37 -2.00 0.00 0.00 178.31 176.95 1xyd h GLN 71 N 0.01 0.86 0.08 6.09 4.15 -1.96 -2.89 115.11 121.44 1xyd h GLN 71 Ca -0.01 -0.50 -0.33 0.00 0.77 0.00 0.00 58.65 58.58 1xyd h GLN 71 Cb 1.30 0.04 -0.03 0.00 0.21 0.00 0.00 27.48 29.00 1xyd h GLN 71 CO 0.10 1.13 -1.83 1.49 -1.93 0.00 0.00 178.83 177.79 1xyd h GLU 72 N 0.68 0.17 -0.66 1.69 4.81 -1.88 -3.25 114.58 116.15 1xyd h GLU 72 Ca 0.04 -0.30 0.10 0.00 -0.13 0.00 0.00 59.36 59.07 1xyd h GLU 72 Cb 1.06 0.11 -0.08 0.00 0.63 0.00 0.00 28.75 30.48 1xyd h GLU 72 CO 0.11 0.95 0.27 0.35 -0.73 0.00 0.00 179.01 179.96 1xyd h PHE 73 N 0.05 0.47 -0.58 0.92 3.57 -0.98 0.37 116.94 120.74 1xyd h PHE 73 Ca -0.35 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.16 1xyd h PHE 73 Cb 2.03 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 40.63 1xyd h PHE 73 CO 0.05 0.12 0.29 1.98 -2.23 0.00 0.00 178.31 178.52 1xyd h MET 74 N 0.46 0.84 -0.00 1.11 4.05 -1.65 0.36 114.93 120.10 1xyd h MET 74 Ca 0.34 -0.12 0.00 0.00 -0.28 0.00 0.00 59.70 59.64 1xyd h MET 74 Cb 0.42 -0.15 -0.00 0.00 -0.80 0.00 0.00 31.60 31.07 1xyd h MET 74 CO -0.32 0.67 0.42 0.00 0.23 0.00 0.00 176.91 177.92 1xyd h ALA 75 N 1.12 1.43 0.04 0.39 0.00 -0.34 0.54 119.26 122.44 1xyd h ALA 75 Ca 0.20 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1xyd h ALA 75 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1xyd h ALA 75 CO -0.03 -0.42 -0.02 0.35 0.00 0.00 0.00 179.25 179.13 1xyd h PHE 76 N 0.00 -0.06 -0.75 0.00 3.57 0.06 -2.36 116.94 117.41 1xyd h PHE 76 Ca 0.00 -0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.64 1xyd h PHE 76 Cb 0.85 0.02 -0.05 0.00 2.79 0.00 0.00 35.95 39.56 1xyd h PHE 76 CO 0.00 0.59 0.50 0.28 -2.23 0.00 0.00 178.31 177.45 1xyd h VAL 77 N -0.82 0.83 0.00 1.41 2.07 -0.91 0.75 116.25 119.58 1xyd h VAL 77 Ca -0.01 -0.16 -0.06 0.00 0.82 0.00 0.00 66.70 67.29 1xyd h VAL 77 Cb 0.67 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 1xyd h VAL 77 CO 0.01 0.09 -0.28 -1.28 0.02 0.00 0.00 177.57 176.13 1xyd h SER 78 N 0.48 0.00 0.68 0.57 0.87 -1.32 0.81 113.55 115.63 1xyd h SER 78 Ca 0.37 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.75 1xyd h SER 78 Cb 0.75 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.70 1xyd h SER 78 CO -0.12 0.28 -0.82 -0.03 -0.53 0.00 0.00 176.83 175.60 1xyd h MET 79 N 0.00 0.10 0.02 2.24 -1.53 0.10 0.28 114.93 116.14 1xyd h MET 79 Ca -0.00 -0.10 -0.28 0.00 -3.44 0.00 0.00 59.70 55.87 1xyd h MET 79 Cb 0.53 0.03 -0.04 0.00 -0.55 0.00 0.00 31.60 31.57 1xyd h MET 79 CO 0.04 0.86 -1.59 -0.39 0.14 0.00 0.00 176.91 175.97 1xyd h VAL 80 N 0.06 1.01 -0.33 -5.77 -1.51 -0.73 -3.10 116.25 105.88 1xyd h VAL 80 Ca -0.02 -2.81 -0.15 0.00 -1.23 0.00 0.00 66.70 62.48 1xyd h VAL 80 Cb 1.44 2.53 -0.01 0.00 -2.13 0.00 0.00 31.29 33.12 1xyd h VAL 80 CO 0.12 0.63 -0.38 0.74 -1.23 0.00 0.00 177.57 177.45 1xyd h THR 81 N 0.01 1.28 -0.72 7.19 2.02 0.67 -2.96 112.91 120.40 1xyd h THR 81 Ca -0.24 -1.55 -0.07 0.00 0.77 0.00 0.00 66.41 65.32 1xyd h THR 81 Cb 1.97 1.43 -0.03 0.00 -1.74 0.00 0.00 68.15 69.78 1xyd h THR 81 CO 0.10 0.51 0.19 0.71 0.37 0.00 0.00 175.52 177.39 1xyd h THR 82 N 0.65 1.26 -0.28 3.16 1.35 -0.51 -1.14 112.91 117.40 1xyd h THR 82 Ca 0.06 -0.97 -0.02 0.00 -0.55 0.00 0.00 66.41 64.94 1xyd h THR 82 Cb 0.93 0.50 -0.01 0.00 -1.73 0.00 0.00 68.15 67.84 1xyd h THR 82 CO 0.09 0.37 0.11 0.00 -0.25 0.00 0.00 175.52 175.84 1xyd h ALA 83 N 1.10 1.67 0.00 6.62 0.00 -1.45 0.12 119.26 127.32 1xyd h ALA 83 Ca 0.23 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1xyd h ALA 83 Cb 0.36 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1xyd h ALA 83 CO 0.00 0.27 0.00 0.00 0.00 0.00 0.00 179.25 179.52 1xyd h HIS 85 N 0.00 0.59 0.00 0.00 6.17 0.26 -3.22 115.15 118.94 1xyd h HIS 85 Ca 0.00 -0.43 -0.09 0.00 0.71 0.00 0.00 60.37 60.56 1xyd h HIS 85 Cb 0.90 -0.02 -0.01 0.00 2.52 0.00 0.00 27.41 30.79 1xyd h HIS 85 CO 0.00 1.59 -0.43 1.05 0.71 0.00 0.00 177.93 180.85 1xyd h GLU 86 N 0.09 0.00 -0.31 5.26 4.11 -0.90 -3.21 114.58 119.61 1xyd h GLU 86 Ca -0.33 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 58.95 1xyd h GLU 86 Cb 2.07 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.31 1xyd h GLU 86 CO 0.16 0.43 -0.38 0.35 0.07 0.00 0.00 179.01 179.64 1xyd h PHE 87 N 0.00 0.97 0.24 2.06 3.57 -1.53 -2.76 116.94 119.50 1xyd h PHE 87 Ca -0.00 -0.31 -0.01 0.00 3.53 0.00 0.00 57.97 61.18 1xyd h PHE 87 Cb 1.20 -0.20 -0.00 0.00 2.79 0.00 0.00 35.95 39.74 1xyd h PHE 87 CO 0.00 1.10 -0.15 0.35 -2.23 0.00 0.00 178.31 177.38 1xyd h PHE 88 N 0.57 -0.39 0.00 0.41 3.57 -1.56 -2.17 116.94 117.37 1xyd h PHE 88 Ca 0.04 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1xyd h PHE 88 Cb 0.97 0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.84 1xyd h PHE 88 CO 0.07 -0.22 0.00 -0.85 -2.23 0.00 0.00 178.31 175.08 1xyd n GLU 89 N -3.13 0.60 -1.92 1.11 0.28 -1.23 -4.74 120.64 111.60 1xyd n GLU 89 Ca -0.04 0.00 -0.39 0.00 -0.16 0.00 0.00 57.16 56.57 1xyd n GLU 89 Cb 0.15 -1.29 -0.03 0.00 1.43 0.00 0.00 31.44 31.70 1xyd n GLU 89 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 1xyd s HIS 90 N -0.89 1.55 -2.00 -1.84 2.46 -0.82 -5.06 115.29 108.69 1xyd s HIS 90 Ca 0.00 0.92 0.16 0.00 0.47 0.00 0.00 55.06 56.61 1xyd s HIS 90 Cb 0.00 -3.99 0.93 0.00 -0.13 0.00 0.00 32.58 29.40 1xyd s HIS 90 CO 0.00 -2.50 1.35 -1.91 -2.47 0.00 0.00 174.74 169.21