#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 4.78 -0.27 3.17 3.41 -1.26 -4.76 113.62 118.68 1xyd n SER 1 Ca 0.00 -2.92 0.24 0.00 -0.26 0.00 0.00 58.87 55.93 1xyd n SER 1 Cb 0.00 -1.70 0.57 0.00 -0.26 0.00 0.00 64.21 62.82 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 7.14 0.29 0.00 4.33 4.39 -2.06 1.01 114.58 129.68 1xyd h GLU 2 Ca 0.45 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 60.14 1xyd h GLU 2 Cb 0.82 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.40 1xyd h GLU 2 CO 1.52 0.19 0.00 -0.07 -1.16 0.00 0.00 179.01 179.50 1xyd h LEU 3 N 0.30 0.00 -0.36 1.33 3.38 -2.00 -2.61 115.31 115.35 1xyd h LEU 3 Ca 0.52 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.31 1xyd h LEU 3 Cb 1.49 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.23 1xyd h LEU 3 CO -0.18 0.00 -0.83 -0.08 0.09 0.00 0.00 178.44 177.44 1xyd h GLU 4 N 0.00 0.15 -0.28 1.13 4.81 0.68 -1.05 114.58 120.02 1xyd h GLU 4 Ca 0.00 -0.15 -0.06 0.00 -0.13 0.00 0.00 59.36 59.01 1xyd h GLU 4 Cb 0.53 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 1xyd h GLU 4 CO 0.00 0.89 -0.08 0.87 -0.73 0.00 0.00 179.01 179.96 1xyd h LYS 5 N 0.09 0.55 -0.27 1.92 1.57 -1.33 -2.27 116.57 116.81 1xyd h LYS 5 Ca -0.03 -0.21 -0.05 0.00 -1.87 0.00 0.00 60.65 58.49 1xyd h LYS 5 Cb 1.44 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.71 1xyd h LYS 5 CO 0.12 0.76 -0.02 0.00 -0.57 0.00 0.00 179.45 179.74 1xyd h ALA 6 N 0.77 0.37 -0.90 3.86 0.00 -1.47 0.10 119.26 121.99 1xyd h ALA 6 Ca 0.07 -0.24 0.10 0.00 0.00 0.00 0.00 54.91 54.84 1xyd h ALA 6 Cb 0.56 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.17 1xyd h ALA 6 CO 0.03 0.13 0.54 0.52 0.00 0.00 0.00 179.25 180.47 1xyd h MET 7 N 0.27 0.86 0.00 0.00 2.86 -1.13 0.31 114.93 118.10 1xyd h MET 7 Ca 0.08 -0.05 -0.17 0.00 -2.06 0.00 0.00 59.70 57.49 1xyd h MET 7 Cb 0.46 -0.19 0.01 0.00 0.06 0.00 0.00 31.60 31.94 1xyd h MET 7 CO 0.02 0.57 -0.67 0.28 1.06 0.00 0.00 176.91 178.17 1xyd h VAL 8 N 0.88 1.41 -0.18 -2.22 2.07 -1.22 -1.75 116.25 115.24 1xyd h VAL 8 Ca 0.44 -2.11 -0.03 0.00 0.82 0.00 0.00 66.70 65.82 1xyd h VAL 8 Cb 0.41 2.57 -0.01 0.00 -1.52 0.00 0.00 31.29 32.74 1xyd h VAL 8 CO -0.25 0.62 -0.03 0.00 0.02 0.00 0.00 177.57 177.92 1xyd h ALA 9 N 0.33 1.63 0.01 1.67 0.00 -0.40 -3.03 119.26 119.46 1xyd h ALA 9 Ca -0.08 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1xyd h ALA 9 Cb 1.37 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1xyd h ALA 9 CO 0.13 0.28 -0.07 -0.07 0.00 0.00 0.00 179.25 179.52 1xyd h LEU 10 N 0.25 0.04 -1.93 0.00 3.38 -0.38 -3.15 115.31 113.52 1xyd h LEU 10 Ca 0.06 -0.99 0.38 0.00 0.09 0.00 0.00 57.88 57.41 1xyd h LEU 10 Cb 0.23 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 40.90 1xyd h LEU 10 CO 0.01 1.03 0.92 0.40 0.09 0.00 0.00 178.44 180.89 1xyd h ILE 11 N -0.94 0.35 0.04 1.22 2.04 -1.25 2.58 117.51 121.55 1xyd h ILE 11 Ca -0.01 -0.01 -0.00 0.00 1.00 0.00 0.00 64.86 65.83 1xyd h ILE 11 Cb 1.05 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 37.44 1xyd h ILE 11 CO 0.01 0.01 -0.02 0.44 0.00 0.00 0.00 178.15 178.59 1xyd h ASP 12 N 0.03 -0.04 1.04 1.72 3.32 -1.59 -1.67 116.42 119.23 1xyd h ASP 12 Ca 0.63 -0.65 -0.11 0.00 0.02 0.00 0.00 57.03 56.93 1xyd h ASP 12 Cb 2.44 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 41.99 1xyd h ASP 12 CO -0.05 0.68 -0.53 0.58 -1.72 0.00 0.00 179.24 178.20 1xyd h VAL 13 N -0.81 1.05 -0.07 -1.35 2.07 -0.77 -1.55 116.25 114.81 1xyd h VAL 13 Ca -0.01 -2.06 -0.07 0.00 0.82 0.00 0.00 66.70 65.39 1xyd h VAL 13 Cb 0.69 2.23 0.00 0.00 -1.52 0.00 0.00 31.29 32.69 1xyd h VAL 13 CO 0.01 0.52 -0.22 0.15 0.02 0.00 0.00 177.57 178.05 1xyd h PHE 14 N 0.00 0.36 -0.00 1.57 3.57 0.43 -2.58 116.94 120.29 1xyd h PHE 14 Ca -0.01 -0.14 -0.20 0.00 3.53 0.00 0.00 57.97 61.16 1xyd h PHE 14 Cb 1.19 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.86 1xyd h PHE 14 CO 0.00 0.83 -0.86 1.25 -2.23 0.00 0.00 178.31 177.30 1xyd h HIS 15 N -0.22 0.30 -0.47 0.41 2.76 -1.34 0.13 115.15 116.72 1xyd h HIS 15 Ca -0.01 -0.16 -0.11 0.00 -2.20 0.00 0.00 60.37 57.89 1xyd h HIS 15 Cb 0.84 -0.03 -0.02 0.00 1.55 0.00 0.00 27.41 29.74 1xyd h HIS 15 CO 0.12 0.97 -0.14 1.96 -1.30 0.00 0.00 177.93 179.54 1xyd h GLN 16 N 0.11 0.88 0.00 5.26 4.20 -1.34 0.06 115.11 124.29 1xyd h GLN 16 Ca -0.04 -0.32 -0.01 0.00 0.06 0.00 0.00 58.65 58.34 1xyd h GLN 16 Cb 1.49 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 29.21 1xyd h GLN 16 CO 0.13 0.97 -0.53 0.66 -0.67 0.00 0.00 178.83 179.38 1xyd n TYR 17 N -4.14 0.94 0.08 2.96 4.02 -0.97 -1.94 117.16 118.11 1xyd n TYR 17 Ca 0.01 0.41 0.21 0.00 -0.01 0.00 0.00 57.90 58.52 1xyd n TYR 17 Cb 0.40 -0.79 0.72 0.00 -0.02 0.00 0.00 39.34 39.65 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 -0.03 7.72 0.02 -0.88 0.80 113.55 120.19 1xyd h SER 18 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1xyd h SER 18 Cb 0.53 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.07 1xyd h SER 18 CO -0.01 0.00 -0.04 0.61 -1.14 0.00 0.00 176.83 176.26 1xyd n GLY 19 N -1.49 0.84 0.36 -3.77 0.00 0.01 -1.93 105.19 99.20 1xyd n GLY 19 Ca 0.08 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.44 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 4.36 1.15 -3.21 1.61 2.43 0.13 -3.45 114.38 117.41 1xyd h ARG 20 Ca 0.00 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 1xyd h ARG 20 Cb 0.95 -0.26 -0.09 0.00 -0.42 0.00 0.00 29.97 30.14 1xyd h ARG 20 CO 0.00 0.76 0.09 -1.83 -1.51 0.00 0.00 179.97 177.48 1xyd s GLU 21 N -6.08 1.45 0.42 0.20 -1.05 -1.26 -5.09 118.70 107.29 1xyd s GLU 21 Ca -0.13 -0.84 0.00 0.00 -0.15 0.00 0.00 54.97 53.86 1xyd s GLU 21 Cb 0.19 0.55 0.00 0.00 -0.44 0.00 0.00 34.13 34.42 1xyd s GLU 21 CO 0.81 -0.63 0.00 0.41 0.95 0.00 0.00 175.26 176.80 1xyd n GLY 22 N -0.37 -1.81 0.00 -3.83 0.00 -1.26 -4.67 105.19 93.25 1xyd n GLY 22 Ca -0.10 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.06 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 0.04 0.00 0.00 1.61 2.03 -1.26 -4.85 116.55 114.13 1xyd n ASP 23 Ca 0.00 0.45 0.00 0.00 0.52 0.00 0.00 54.79 55.76 1xyd n ASP 23 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1xyd n ASP 23 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1xyd n LYS 24 N -0.74 0.00 -2.70 -0.67 0.00 -1.26 -5.00 118.16 107.79 1xyd n LYS 24 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 58.31 58.25 1xyd n LYS 24 Cb 0.00 0.00 0.10 0.00 0.00 0.00 0.00 35.03 35.13 1xyd n LYS 24 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1xyd n HIS 25 N 0.00 -1.56 -4.52 5.64 -0.00 -1.22 -4.03 115.22 109.52 1xyd n HIS 25 Ca 0.00 -2.02 -0.23 0.00 -0.00 0.00 0.00 57.72 55.47 1xyd n HIS 25 Cb 0.02 1.17 -0.14 0.00 -0.00 0.00 0.00 29.99 31.03 1xyd n HIS 25 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.34 176.55 1xyd s LYS 26 N -0.61 1.19 -0.21 -0.41 2.47 -0.82 -4.64 119.74 116.72 1xyd s LYS 26 Ca 0.20 -0.84 -0.15 0.00 -1.56 0.00 0.00 55.97 53.62 1xyd s LYS 26 Cb 0.42 -1.25 -0.04 0.00 -1.46 0.00 0.00 37.83 35.49 1xyd s LYS 26 CO -0.08 0.32 0.34 -1.17 0.16 0.00 0.00 175.35 174.92 1xyd s LEU 27 N -1.12 4.14 0.20 5.43 1.98 -1.21 -4.41 118.68 123.70 1xyd s LEU 27 Ca 0.05 0.41 0.08 0.00 -2.89 0.00 0.00 54.13 51.78 1xyd s LEU 27 Cb -0.08 -2.41 -0.04 0.00 0.66 0.00 0.00 46.19 44.31 1xyd s LEU 27 CO 0.01 -0.05 0.00 -0.54 -1.89 0.00 0.00 176.35 173.89 1xyd s LYS 28 N 1.29 2.38 0.24 1.98 1.02 -1.26 -2.51 119.74 122.88 1xyd s LYS 28 Ca 0.16 -1.20 -0.07 0.00 0.02 0.00 0.00 55.97 54.88 1xyd s LYS 28 Cb -0.14 -2.30 0.43 0.00 -0.52 0.00 0.00 37.83 35.29 1xyd s LYS 28 CO 0.07 0.43 1.64 -0.22 -0.92 0.00 0.00 175.35 176.35 1xyd h LYS 29 N 2.43 0.10 0.00 1.68 3.64 -1.99 0.45 116.57 122.90 1xyd h LYS 29 Ca -0.46 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1xyd h LYS 29 Cb 1.22 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1xyd h LYS 29 CO 0.58 0.07 0.42 0.43 -2.27 0.00 0.00 179.45 178.68 1xyd n SER 30 N -5.34 0.09 -0.11 4.20 7.64 -1.26 0.12 113.62 118.96 1xyd n SER 30 Ca 0.13 0.29 -0.15 0.00 1.01 0.00 0.00 58.87 60.16 1xyd n SER 30 Cb 0.47 -0.22 -0.12 0.00 -1.01 0.00 0.00 64.21 63.33 1xyd n SER 30 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1xyd n GLU 31 N -1.54 0.70 0.46 1.43 1.02 0.16 -3.28 120.64 119.58 1xyd n GLU 31 Ca -0.00 0.09 -0.20 0.00 -0.02 0.00 0.00 57.16 57.04 1xyd n GLU 31 Cb 0.43 -1.49 -0.10 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 0.00 -0.97 -1.03 -4.62 7.12 0.10 2.61 115.31 118.52 1xyd h LEU 32 Ca -0.54 0.03 -0.08 0.00 0.13 0.00 0.00 57.88 57.42 1xyd h LEU 32 Cb 1.95 0.25 -0.01 0.00 -0.53 0.00 0.00 40.66 42.32 1xyd h LEU 32 CO -0.05 -0.70 -0.19 0.50 -0.13 0.00 0.00 178.44 177.88 1xyd h LYS 33 N -1.15 0.48 0.07 1.25 3.64 -1.62 -1.19 116.57 118.06 1xyd h LYS 33 Ca -0.12 -0.16 -0.25 0.00 -1.27 0.00 0.00 60.65 58.86 1xyd h LYS 33 Cb 0.88 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.66 1xyd h LYS 33 CO 0.19 0.65 -1.11 1.49 -2.27 0.00 0.00 179.45 178.41 1xyd h GLU 34 N 0.44 0.29 -0.08 1.90 4.81 -1.48 -2.48 114.58 117.97 1xyd h GLU 34 Ca 0.07 -0.41 -0.14 0.00 -0.13 0.00 0.00 59.36 58.75 1xyd h GLU 34 Cb 0.57 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.08 1xyd h GLU 34 CO 0.04 1.15 -0.56 1.25 -0.73 0.00 0.00 179.01 180.16 1xyd h LEU 35 N 0.12 0.28 -0.22 1.64 5.85 0.47 0.22 115.31 123.67 1xyd h LEU 35 Ca -0.10 -0.15 -0.22 0.00 0.84 0.00 0.00 57.88 58.25 1xyd h LEU 35 Cb 1.80 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.75 1xyd h LEU 35 CO 0.18 0.78 -0.88 0.40 -0.34 0.00 0.00 178.44 178.58 1xyd h ILE 36 N 0.19 1.38 0.00 4.05 2.04 -1.23 -0.53 117.51 123.40 1xyd h ILE 36 Ca 0.00 -2.31 -0.08 0.00 1.00 0.00 0.00 64.86 63.47 1xyd h ILE 36 Cb 1.04 2.30 -0.01 0.00 -0.74 0.00 0.00 36.82 39.40 1xyd h ILE 36 CO 0.09 0.70 -0.52 0.78 0.00 0.00 0.00 178.15 179.19 1xyd h ASN 37 N 0.28 0.00 0.03 1.72 -0.26 -1.34 -1.06 115.58 114.94 1xyd h ASN 37 Ca -0.07 0.00 -0.39 0.00 -0.56 0.00 0.00 56.30 55.29 1xyd h ASN 37 Cb 1.50 0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 38.71 1xyd h ASN 37 CO 0.16 0.33 -2.24 0.59 -1.06 0.00 0.00 177.43 175.21 1xyd n ASN 38 N -3.10 1.99 -0.04 5.81 4.13 0.06 -4.47 115.26 119.63 1xyd n ASN 38 Ca 0.01 0.14 -0.04 0.00 1.68 0.00 0.00 54.58 56.36 1xyd n ASN 38 Cb 0.68 -0.69 -0.01 0.00 -1.54 0.00 0.00 39.78 38.21 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 -3.74 0.26 -0.30 3.52 -0.58 -0.26 -4.52 120.64 115.03 1xyd n GLU 39 Ca -0.44 0.10 0.00 0.00 -0.42 0.00 0.00 57.16 56.41 1xyd n GLU 39 Cb 0.93 -0.93 0.00 0.00 -0.57 0.00 0.00 31.44 30.88 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 -3.58 3.91 0.06 -4.62 4.77 -0.89 -3.73 117.00 112.93 1xyd n LEU 40 Ca -0.07 -1.80 0.08 0.00 -0.03 0.00 0.00 56.01 54.19 1xyd n LEU 40 Cb 0.26 -0.79 -0.05 0.00 -2.33 0.00 0.00 43.42 40.50 1xyd n LEU 40 CO 0.10 0.72 -0.22 -0.24 -1.33 0.00 0.00 177.39 176.43 1xyd n SER 41 N 1.28 0.70 0.06 -1.43 2.88 -0.40 -1.17 113.62 115.54 1xyd n SER 41 Ca 0.00 0.28 0.06 0.00 -1.33 0.00 0.00 58.87 57.89 1xyd n SER 41 Cb 0.42 0.61 -0.05 0.00 -0.75 0.00 0.00 64.21 64.44 1xyd n SER 41 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1xyd n HIS 42 N -2.68 0.86 -0.12 0.66 8.25 -1.24 -4.43 115.22 116.52 1xyd n HIS 42 Ca -0.04 0.27 -0.25 0.00 -0.26 0.00 0.00 57.72 57.43 1xyd n HIS 42 Cb 0.65 -0.97 -0.08 0.00 1.12 0.00 0.00 29.99 30.71 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 -2.72 0.00 -3.93 4.41 7.35 -1.26 -4.93 117.46 116.38 1xyd n PHE 43 Ca -0.05 0.00 -0.35 0.00 -0.76 0.00 0.00 57.45 56.29 1xyd n PHE 43 Cb 0.68 -0.84 -0.09 0.00 0.35 0.00 0.00 39.48 39.57 1xyd n PHE 43 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 1xyd s LEU 44 N -7.25 3.93 0.36 -2.13 1.02 -0.32 -5.05 118.68 109.23 1xyd s LEU 44 Ca -0.33 0.13 -0.26 0.00 0.02 0.00 0.00 54.13 53.68 1xyd s LEU 44 Cb 0.13 -2.00 -0.12 0.00 0.02 0.00 0.00 46.19 44.21 1xyd s LEU 44 CO 0.42 0.18 1.03 -0.62 0.02 0.00 0.00 176.35 177.38 1xyd n GLU 45 N 3.52 1.44 -2.11 1.70 1.02 -1.26 -3.76 120.64 121.18 1xyd n GLU 45 Ca -0.16 0.51 -0.41 0.00 -0.02 0.00 0.00 57.16 57.08 1xyd n GLU 45 Cb 0.52 -1.99 -0.03 0.00 -0.02 0.00 0.00 31.44 29.93 1xyd n GLU 45 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 1xyd s GLU 46 N -1.80 3.02 0.34 3.49 -1.05 -1.26 -4.90 118.70 116.54 1xyd s GLU 46 Ca 0.60 0.84 -0.29 0.00 -0.15 0.00 0.00 54.97 55.98 1xyd s GLU 46 Cb -0.62 -4.26 -0.12 0.00 -0.44 0.00 0.00 34.13 28.70 1xyd s GLU 46 CO 0.59 -2.25 1.41 0.44 0.95 0.00 0.00 175.26 176.40 1xyd n ILE 47 N 7.20 1.76 0.16 1.83 -5.35 -1.26 -4.88 119.36 118.82 1xyd n ILE 47 Ca 0.19 -0.44 0.08 0.00 -0.27 0.00 0.00 62.75 62.31 1xyd n ILE 47 Cb 0.50 -1.76 -0.12 0.00 -1.74 0.00 0.00 39.64 36.52 1xyd n ILE 47 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1xyd n LYS 48 N 0.87 0.76 -5.19 6.28 5.02 -1.26 -4.93 118.16 119.71 1xyd n LYS 48 Ca 0.05 -0.12 -0.32 0.00 -2.02 0.00 0.00 58.31 55.90 1xyd n LYS 48 Cb 0.37 -1.36 -0.15 0.00 -0.02 0.00 0.00 35.03 33.86 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 -3.02 2.31 0.43 1.97 2.02 -1.26 -5.01 118.70 116.14 1xyd s GLU 49 Ca -0.03 -0.86 0.27 0.00 0.02 0.00 0.00 54.97 54.36 1xyd s GLU 49 Cb 0.11 -2.16 0.79 0.00 0.10 0.00 0.00 34.13 32.97 1xyd s GLU 49 CO 0.68 0.54 1.76 -0.56 0.02 0.00 0.00 175.26 177.70 1xyd h GLN 50 N 5.58 0.00 -1.00 1.61 3.07 -1.99 -3.31 115.11 119.07 1xyd h GLN 50 Ca -0.42 0.00 0.37 0.00 0.09 0.00 0.00 58.65 58.69 1xyd h GLN 50 Cb 1.14 0.00 -0.17 0.00 0.08 0.00 0.00 27.48 28.53 1xyd h GLN 50 CO 0.48 0.00 0.52 1.49 0.09 0.00 0.00 178.83 181.41 1xyd h GLU 51 N 0.00 0.14 -0.02 0.06 4.81 -1.97 1.99 114.58 119.58 1xyd h GLU 51 Ca 0.00 -0.01 -0.23 0.00 -0.13 0.00 0.00 59.36 58.99 1xyd h GLU 51 Cb 0.76 -0.03 0.01 0.00 0.63 0.00 0.00 28.75 30.11 1xyd h GLU 51 CO 0.00 0.09 -0.92 -0.39 -0.73 0.00 0.00 179.01 177.06 1xyd h VAL 52 N 0.14 1.36 0.00 0.32 -1.51 -1.99 -0.73 116.25 113.84 1xyd h VAL 52 Ca 0.78 -2.33 -0.03 0.00 -1.23 0.00 0.00 66.70 63.89 1xyd h VAL 52 Cb 1.93 2.34 -0.00 0.00 -2.13 0.00 0.00 31.29 33.42 1xyd h VAL 52 CO -0.71 0.70 -0.16 1.62 -1.23 0.00 0.00 177.57 177.80 1xyd h VAL 53 N 0.30 0.48 0.00 7.19 3.04 0.17 1.36 116.25 128.79 1xyd h VAL 53 Ca -0.08 -0.82 -0.20 0.00 -1.01 0.00 0.00 66.70 64.59 1xyd h VAL 53 Cb 1.56 1.57 -0.01 0.00 -2.01 0.00 0.00 31.29 32.39 1xyd h VAL 53 CO 0.17 0.16 -0.88 0.44 -1.01 0.00 0.00 177.57 176.44 1xyd h ASP 54 N 0.00 0.28 0.15 3.17 5.19 0.29 -2.23 116.42 123.28 1xyd h ASP 54 Ca -0.00 -0.23 -0.24 0.00 -0.62 0.00 0.00 57.03 55.94 1xyd h ASP 54 Cb 0.55 -0.09 0.02 0.00 0.18 0.00 0.00 39.33 39.99 1xyd h ASP 54 CO 0.02 1.03 -1.12 0.50 -3.12 0.00 0.00 179.24 176.56 1xyd h LYS 55 N 0.12 0.32 -1.00 3.56 3.11 0.38 -2.99 116.57 120.06 1xyd h LYS 55 Ca -0.05 -0.55 0.08 0.00 -2.81 0.00 0.00 60.65 57.32 1xyd h LYS 55 Cb 1.51 0.20 -0.07 0.00 -1.00 0.00 0.00 32.23 32.88 1xyd h LYS 55 CO 0.14 1.26 0.65 -0.24 -2.81 0.00 0.00 179.45 178.44 1xyd h VAL 56 N -0.27 1.05 -0.44 2.00 3.04 0.17 0.42 116.25 122.22 1xyd h VAL 56 Ca -0.21 -0.39 -0.06 0.00 -1.01 0.00 0.00 66.70 65.02 1xyd h VAL 56 Cb 1.77 -0.19 -0.02 0.00 -2.01 0.00 0.00 31.29 30.84 1xyd h VAL 56 CO 0.14 0.21 0.02 0.24 -1.01 0.00 0.00 177.57 177.17 1xyd h MET 57 N 1.14 0.70 0.00 4.17 2.86 -1.47 0.13 114.93 122.45 1xyd h MET 57 Ca 0.45 -0.17 -0.03 0.00 -2.06 0.00 0.00 59.70 57.89 1xyd h MET 57 Cb 0.23 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 31.80 1xyd h MET 57 CO -0.19 0.70 -0.14 0.93 1.06 0.00 0.00 176.91 179.27 1xyd h GLU 58 N 0.66 0.00 0.02 1.72 4.39 -0.78 1.85 114.58 122.45 1xyd h GLU 58 Ca 0.14 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.55 1xyd h GLU 58 Cb 0.38 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.99 1xyd h GLU 58 CO 0.01 0.14 -1.59 1.15 -1.16 0.00 0.00 179.01 177.56 1xyd h THR 59 N 0.00 1.01 0.03 1.13 2.02 -0.68 -3.40 112.91 113.03 1xyd h THR 59 Ca -0.00 -2.81 -0.37 0.00 0.77 0.00 0.00 66.41 64.00 1xyd h THR 59 Cb 0.26 2.54 -0.05 0.00 -1.74 0.00 0.00 68.15 69.15 1xyd h THR 59 CO 0.02 0.64 -2.11 0.18 0.37 0.00 0.00 175.52 174.62 1xyd n LEU 60 N -3.18 2.41 -4.54 2.58 7.99 0.35 -4.86 117.00 117.75 1xyd n LEU 60 Ca -0.15 0.19 -0.47 0.00 -0.01 0.00 0.00 56.01 55.57 1xyd n LEU 60 Cb 1.03 -0.96 -0.05 0.00 -0.11 0.00 0.00 43.42 43.33 1xyd n LEU 60 CO 0.46 0.69 1.78 0.47 -1.51 0.00 0.00 177.39 179.28 1xyd n ASP 61 N -3.81 2.80 0.05 -1.43 9.92 0.62 -4.79 116.55 119.91 1xyd n ASP 61 Ca -0.41 0.40 -0.22 0.00 -0.53 0.00 0.00 54.79 54.03 1xyd n ASP 61 Cb 0.92 -1.40 -0.14 0.00 -0.64 0.00 0.00 41.12 39.85 1xyd n ASP 61 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 1xyd h GLU 62 N 13.10 0.33 -0.00 -1.24 4.22 -1.89 -3.21 114.58 125.89 1xyd h GLU 62 Ca -0.36 -0.56 0.00 0.00 0.08 0.00 0.00 59.36 58.52 1xyd h GLU 62 Cb 1.28 0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.74 1xyd h GLU 62 CO 0.98 1.27 -0.03 -0.40 -2.18 0.00 0.00 179.01 178.65 1xyd n ASP 63 N -3.86 0.42 -3.64 1.04 5.68 -1.26 -4.88 116.55 110.05 1xyd n ASP 63 Ca -0.22 -0.89 -0.23 0.00 -0.50 0.00 0.00 54.79 52.95 1xyd n ASP 63 Cb 0.95 -0.05 0.07 0.00 -1.14 0.00 0.00 41.12 40.95 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 1.14 -0.46 0.39 6.12 0.00 -1.22 -4.86 105.19 106.31 1xyd n GLY 64 Ca 0.19 0.19 0.12 0.00 0.00 0.00 0.00 46.02 46.53 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 -3.01 1.59 0.00 1.61 5.75 -1.26 -4.90 116.55 116.32 1xyd n ASP 65 Ca -0.09 -1.25 0.00 0.00 -0.01 0.00 0.00 54.79 53.44 1xyd n ASP 65 Cb 0.59 0.30 0.00 0.00 -1.03 0.00 0.00 41.12 40.99 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 0.42 3.33 6.12 0.00 -1.26 -4.95 105.19 110.22 1xyd n GLY 66 Ca 0.11 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.65 1.32 -0.34 1.61 2.02 -1.26 -4.46 118.70 116.93 1xyd s GLU 67 Ca 0.00 -1.63 0.01 0.00 0.02 0.00 0.00 54.97 53.37 1xyd s GLU 67 Cb 0.00 -0.81 0.10 0.00 0.10 0.00 0.00 34.13 33.53 1xyd s GLU 67 CO 0.00 0.01 0.10 0.00 0.02 0.00 0.00 175.26 175.39 1xyd n ASP 69 N 4.45 -0.90 0.08 0.00 2.03 -1.26 -3.28 116.55 117.67 1xyd n ASP 69 Ca 0.01 0.00 -0.16 0.00 0.52 0.00 0.00 54.79 55.16 1xyd n ASP 69 Cb 0.41 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.72 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 -1.34 0.71 0.00 -0.67 -0.00 -1.98 0.25 116.94 113.91 1xyd h PHE 70 Ca 0.00 -0.43 -0.12 0.00 -0.00 0.00 0.00 57.97 57.42 1xyd h PHE 70 Cb 0.00 -0.07 -0.02 0.00 -0.00 0.00 0.00 35.95 35.87 1xyd h PHE 70 CO 0.00 1.27 -0.58 -0.56 -0.00 0.00 0.00 178.31 178.44 1xyd h GLN 71 N 0.22 0.00 0.09 6.09 -0.00 -1.99 -2.49 115.11 117.03 1xyd h GLN 71 Ca -0.12 0.00 -0.33 0.00 -0.00 0.00 0.00 58.65 58.20 1xyd h GLN 71 Cb 1.75 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 29.21 1xyd h GLN 71 CO 0.19 0.58 -1.77 1.49 -0.00 0.00 0.00 178.83 179.32 1xyd h GLU 72 N 0.00 0.20 -0.84 0.06 4.81 -1.86 -3.22 114.58 113.72 1xyd h GLU 72 Ca -0.01 -0.34 0.15 0.00 -0.13 0.00 0.00 59.36 59.04 1xyd h GLU 72 Cb 1.10 0.13 -0.10 0.00 0.63 0.00 0.00 28.75 30.51 1xyd h GLU 72 CO 0.08 1.16 0.42 0.35 -0.73 0.00 0.00 179.01 180.29 1xyd h PHE 73 N -0.23 0.73 -0.56 0.92 3.57 -0.53 0.56 116.94 121.40 1xyd h PHE 73 Ca -0.40 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.12 1xyd h PHE 73 Cb 1.83 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 40.35 1xyd h PHE 73 CO 0.09 0.16 0.30 1.98 -2.23 0.00 0.00 178.31 178.60 1xyd h MET 74 N 0.59 0.78 0.00 1.11 4.05 -1.58 0.45 114.93 120.33 1xyd h MET 74 Ca 0.46 -0.10 0.00 0.00 -0.28 0.00 0.00 59.70 59.78 1xyd h MET 74 Cb 0.67 -0.15 0.00 0.00 -0.80 0.00 0.00 31.60 31.32 1xyd h MET 74 CO -0.38 0.62 0.35 0.00 0.23 0.00 0.00 176.91 177.73 1xyd h ALA 75 N 1.13 1.34 0.14 0.39 0.00 0.08 -0.55 119.26 121.79 1xyd h ALA 75 Ca 0.19 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1xyd h ALA 75 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1xyd h ALA 75 CO -0.03 -0.34 -0.07 0.35 0.00 0.00 0.00 179.25 179.16 1xyd h PHE 76 N 0.00 -0.17 -0.57 0.00 3.57 -0.19 -2.25 116.94 117.33 1xyd h PHE 76 Ca 0.00 -0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.62 1xyd h PHE 76 Cb 0.70 0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.47 1xyd h PHE 76 CO 0.00 0.24 0.39 0.28 -2.23 0.00 0.00 178.31 176.99 1xyd h VAL 77 N -0.93 0.82 -0.11 1.41 2.07 -1.13 0.81 116.25 119.18 1xyd h VAL 77 Ca -0.02 -0.08 -0.05 0.00 0.82 0.00 0.00 66.70 67.38 1xyd h VAL 77 Cb 0.49 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 1xyd h VAL 77 CO 0.03 0.04 -0.15 -1.28 0.02 0.00 0.00 177.57 176.23 1xyd h SER 78 N 0.23 0.17 0.67 0.57 0.87 -1.19 1.88 113.55 116.74 1xyd h SER 78 Ca 0.27 -0.03 -0.20 0.00 -1.23 0.00 0.00 61.79 60.60 1xyd h SER 78 Cb 0.75 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.65 1xyd h SER 78 CO -0.05 0.34 -0.90 -0.03 -0.53 0.00 0.00 176.83 175.66 1xyd h MET 79 N 0.17 0.14 0.06 2.24 -1.53 0.12 0.27 114.93 116.41 1xyd h MET 79 Ca 0.03 -0.17 -0.30 0.00 -3.44 0.00 0.00 59.70 55.83 1xyd h MET 79 Cb 0.37 0.05 -0.03 0.00 -0.55 0.00 0.00 31.60 31.44 1xyd h MET 79 CO 0.02 0.94 -1.58 -0.39 0.14 0.00 0.00 176.91 176.05 1xyd h VAL 80 N 0.07 1.06 -0.45 -5.77 -1.51 -0.54 -3.09 116.25 106.02 1xyd h VAL 80 Ca -0.04 -2.79 -0.12 0.00 -1.23 0.00 0.00 66.70 62.52 1xyd h VAL 80 Cb 1.54 2.62 -0.01 0.00 -2.13 0.00 0.00 31.29 33.31 1xyd h VAL 80 CO 0.13 0.74 -0.20 0.74 -1.23 0.00 0.00 177.57 177.74 1xyd h THR 81 N 0.04 1.27 -0.92 7.19 2.02 0.29 -2.71 112.91 120.09 1xyd h THR 81 Ca -0.25 -1.35 -0.01 0.00 0.77 0.00 0.00 66.41 65.57 1xyd h THR 81 Cb 1.98 1.14 -0.04 0.00 -1.74 0.00 0.00 68.15 69.49 1xyd h THR 81 CO 0.12 0.46 0.52 0.71 0.37 0.00 0.00 175.52 177.70 1xyd h THR 82 N 0.79 1.26 -0.94 3.16 1.35 -0.51 -1.57 112.91 116.45 1xyd h THR 82 Ca 0.11 -0.62 -0.00 0.00 -0.55 0.00 0.00 66.41 65.35 1xyd h THR 82 Cb 0.75 -0.01 -0.05 0.00 -1.73 0.00 0.00 68.15 67.12 1xyd h THR 82 CO 0.06 0.29 0.57 0.00 -0.25 0.00 0.00 175.52 176.19 1xyd h ALA 83 N 1.29 1.20 0.00 6.62 0.00 -1.41 1.80 119.26 128.75 1xyd h ALA 83 Ca 0.33 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1xyd h ALA 83 Cb -0.00 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.41 1xyd h ALA 83 CO -0.06 0.64 -0.07 0.00 0.00 0.00 0.00 179.25 179.76 1xyd n HIS 85 N -3.69 0.40 0.05 0.00 -0.00 0.28 -3.80 115.22 108.46 1xyd n HIS 85 Ca -0.02 0.13 -0.20 0.00 -0.00 0.00 0.00 57.72 57.62 1xyd n HIS 85 Cb 0.18 -1.07 -0.14 0.00 -0.00 0.00 0.00 29.99 28.97 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 0.01 0.37 -0.98 1.57 4.81 0.30 -1.95 114.58 118.71 1xyd h GLU 86 Ca -0.47 -0.56 0.06 0.00 -0.13 0.00 0.00 59.36 58.26 1xyd h GLU 86 Cb 2.10 0.20 -0.06 0.00 0.63 0.00 0.00 28.75 31.61 1xyd h GLU 86 CO 0.03 1.24 0.63 0.35 -0.73 0.00 0.00 179.01 180.53 1xyd h PHE 87 N -0.22 1.18 -0.19 0.92 3.57 0.09 0.91 116.94 123.20 1xyd h PHE 87 Ca -0.14 0.03 -0.18 0.00 3.53 0.00 0.00 57.97 61.22 1xyd h PHE 87 Cb 1.63 -0.39 0.01 0.00 2.79 0.00 0.00 35.95 39.99 1xyd h PHE 87 CO 0.17 0.63 -0.57 0.35 -2.23 0.00 0.00 178.31 176.66 1xyd h PHE 88 N 1.17 0.93 -0.09 0.41 3.57 -1.66 -2.85 116.94 118.42 1xyd h PHE 88 Ca 0.42 -0.37 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1xyd h PHE 88 Cb 0.13 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 38.71 1xyd h PHE 88 CO -0.01 1.18 0.00 0.39 -2.23 0.00 0.00 178.31 177.64 1xyd n GLU 89 N -4.10 1.48 -2.03 1.11 1.02 -0.73 -4.80 120.64 112.58 1xyd n GLU 89 Ca -0.06 -0.44 -0.39 0.00 -0.02 0.00 0.00 57.16 56.24 1xyd n GLU 89 Cb 0.63 -1.45 -0.03 0.00 -0.02 0.00 0.00 31.44 30.58 1xyd n GLU 89 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1xyd s HIS 90 N -1.45 1.67 -2.00 -0.32 2.46 0.25 -4.99 115.29 110.91 1xyd s HIS 90 Ca 0.08 0.79 0.23 0.00 0.47 0.00 0.00 55.06 56.62 1xyd s HIS 90 Cb 0.05 -4.09 1.35 0.00 -0.13 0.00 0.00 32.58 29.77 1xyd s HIS 90 CO 0.03 -2.36 1.73 -0.85 -2.47 0.00 0.00 174.74 170.82