#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 5.31 -0.33 6.12 3.41 -1.26 -4.79 113.62 122.08 1xyd n SER 1 Ca 0.00 -3.08 0.33 0.00 -0.26 0.00 0.00 58.87 55.86 1xyd n SER 1 Cb 0.00 -1.49 0.71 0.00 -0.26 0.00 0.00 64.21 63.17 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 6.34 0.07 0.00 4.33 5.08 -2.07 1.82 114.58 130.16 1xyd h GLU 2 Ca 0.33 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 1xyd h GLU 2 Cb 0.74 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.98 1xyd h GLU 2 CO 1.40 0.05 0.00 -0.07 -1.00 0.00 0.00 179.01 179.38 1xyd h LEU 3 N 0.07 0.00 -0.99 1.33 -0.00 -2.00 -2.16 115.31 111.56 1xyd h LEU 3 Ca 0.58 0.00 -0.09 0.00 -0.00 0.00 0.00 57.88 58.37 1xyd h LEU 3 Cb 2.15 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 42.80 1xyd h LEU 3 CO -0.07 0.00 -0.43 -0.08 -0.00 0.00 0.00 178.44 177.86 1xyd h GLU 4 N 0.00 0.00 -0.05 1.13 4.81 0.24 -0.94 114.58 119.78 1xyd h GLU 4 Ca 0.00 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 1xyd h GLU 4 Cb 0.51 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.89 1xyd h GLU 4 CO 0.00 0.43 -0.10 0.87 -0.73 0.00 0.00 179.01 179.48 1xyd h LYS 5 N 0.00 0.15 0.44 1.92 1.79 -1.38 -2.54 116.57 116.95 1xyd h LYS 5 Ca -0.00 -0.10 -0.02 0.00 -2.18 0.00 0.00 60.65 58.35 1xyd h LYS 5 Cb 0.89 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.55 1xyd h LYS 5 CO 0.06 0.68 -0.21 0.00 -1.08 0.00 0.00 179.45 178.90 1xyd h ALA 6 N 0.46 -0.59 -1.00 3.86 0.00 -1.44 0.67 119.26 121.23 1xyd h ALA 6 Ca 0.00 -0.17 0.20 0.00 0.00 0.00 0.00 54.91 54.94 1xyd h ALA 6 Cb 0.68 0.23 -0.10 0.00 0.00 0.00 0.00 17.79 18.60 1xyd h ALA 6 CO 0.02 -0.74 0.61 0.52 0.00 0.00 0.00 179.25 179.67 1xyd h MET 7 N -0.77 0.67 0.24 0.00 2.86 -1.27 0.42 114.93 117.08 1xyd h MET 7 Ca -0.06 -0.04 -0.33 0.00 -2.06 0.00 0.00 59.70 57.21 1xyd h MET 7 Cb 0.54 -0.15 0.04 0.00 0.06 0.00 0.00 31.60 32.08 1xyd h MET 7 CO 0.10 0.44 -1.45 0.28 1.06 0.00 0.00 176.91 177.34 1xyd h VAL 8 N 0.69 1.28 -0.37 -2.22 2.07 -1.20 -2.24 116.25 114.25 1xyd h VAL 8 Ca 0.58 -2.66 -0.04 0.00 0.82 0.00 0.00 66.70 65.39 1xyd h VAL 8 Cb 1.00 3.00 -0.02 0.00 -1.52 0.00 0.00 31.29 33.75 1xyd h VAL 8 CO -0.36 0.80 0.06 0.00 0.02 0.00 0.00 177.57 178.09 1xyd h ALA 9 N 0.17 1.41 0.02 1.67 0.00 0.19 -3.12 119.26 119.60 1xyd h ALA 9 Ca -0.25 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.44 1xyd h ALA 9 Cb 2.14 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.77 1xyd h ALA 9 CO 0.27 0.42 -0.23 -0.07 0.00 0.00 0.00 179.25 179.65 1xyd h LEU 10 N 0.54 0.08 -1.84 0.00 4.07 -0.28 -3.12 115.31 114.76 1xyd h LEU 10 Ca 0.12 -0.96 0.36 0.00 0.08 0.00 0.00 57.88 57.48 1xyd h LEU 10 Cb 0.26 -0.02 -0.05 0.00 1.08 0.00 0.00 40.66 41.93 1xyd h LEU 10 CO 0.00 1.10 0.98 0.40 -1.08 0.00 0.00 178.44 179.84 1xyd h ILE 11 N -0.89 0.25 0.01 1.22 2.04 -1.39 3.18 117.51 121.92 1xyd h ILE 11 Ca -0.05 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.80 1xyd h ILE 11 Cb 1.13 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 37.50 1xyd h ILE 11 CO 0.01 0.00 -0.07 -0.78 0.00 0.00 0.00 178.15 177.31 1xyd h ASP 12 N 0.00 0.04 1.10 1.72 3.58 -1.61 -1.95 116.42 119.30 1xyd h ASP 12 Ca 0.58 -0.96 -0.13 0.00 0.42 0.00 0.00 57.03 56.94 1xyd h ASP 12 Cb 2.54 -0.01 -0.02 0.00 1.72 0.00 0.00 39.33 43.56 1xyd h ASP 12 CO -0.01 1.00 -0.61 0.58 -2.88 0.00 0.00 179.24 177.33 1xyd h VAL 13 N -0.91 1.15 -0.04 2.25 2.07 -0.44 -1.46 116.25 118.86 1xyd h VAL 13 Ca -0.01 -2.32 -0.05 0.00 0.82 0.00 0.00 66.70 65.14 1xyd h VAL 13 Cb 1.02 2.37 0.00 0.00 -1.52 0.00 0.00 31.29 33.16 1xyd h VAL 13 CO 0.01 0.59 -0.16 0.15 0.02 0.00 0.00 177.57 178.19 1xyd h PHE 14 N 0.00 0.23 -0.07 1.57 3.57 0.55 -2.74 116.94 120.04 1xyd h PHE 14 Ca -0.01 -0.10 -0.19 0.00 3.53 0.00 0.00 57.97 61.20 1xyd h PHE 14 Cb 1.32 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 40.02 1xyd h PHE 14 CO 0.00 0.79 -0.76 1.25 -2.23 0.00 0.00 178.31 177.37 1xyd h HIS 15 N -0.40 0.58 -0.50 0.41 2.76 -1.40 0.40 115.15 117.00 1xyd h HIS 15 Ca -0.01 -0.26 -0.07 0.00 -2.20 0.00 0.00 60.37 57.82 1xyd h HIS 15 Cb 0.81 -0.09 -0.02 0.00 1.55 0.00 0.00 27.41 29.66 1xyd h HIS 15 CO 0.14 1.03 0.02 1.96 -1.30 0.00 0.00 177.93 179.79 1xyd h GLN 16 N 0.29 0.83 0.00 5.26 1.08 -1.34 0.43 115.11 121.65 1xyd h GLN 16 Ca -0.04 -0.22 -0.03 0.00 -1.45 0.00 0.00 58.65 56.92 1xyd h GLN 16 Cb 1.34 -0.10 -0.00 0.00 -0.05 0.00 0.00 27.48 28.67 1xyd h GLN 16 CO 0.13 0.82 -0.64 0.66 -0.95 0.00 0.00 178.83 178.85 1xyd n TYR 17 N -4.22 0.88 -0.02 2.96 4.02 -1.03 -2.03 117.16 117.71 1xyd n TYR 17 Ca 0.03 0.38 0.20 0.00 -0.01 0.00 0.00 57.90 58.49 1xyd n TYR 17 Cb 0.29 -0.79 0.66 0.00 -0.02 0.00 0.00 39.34 39.49 1xyd n TYR 17 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1xyd h SER 18 N -1.00 0.05 0.02 7.72 4.64 -0.31 0.53 113.55 125.20 1xyd h SER 18 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1xyd h SER 18 Cb 0.63 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 1xyd h SER 18 CO -0.03 0.03 -0.07 0.61 -0.87 0.00 0.00 176.83 176.51 1xyd n GLY 19 N -1.63 0.18 0.34 -0.77 0.00 0.15 -2.88 105.19 100.58 1xyd n GLY 19 Ca 0.10 -0.52 -0.03 0.00 0.00 0.00 0.00 46.02 45.58 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 2.82 1.15 -3.56 1.61 2.43 0.70 -3.46 114.38 116.06 1xyd h ARG 20 Ca 0.00 -0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 59.06 1xyd h ARG 20 Cb 0.65 -0.26 -0.09 0.00 -0.42 0.00 0.00 29.97 29.85 1xyd h ARG 20 CO 0.00 0.76 -0.08 -1.83 -1.51 0.00 0.00 179.97 177.31 1xyd s GLU 21 N -6.12 1.55 0.31 0.20 -1.05 -1.25 -5.08 118.70 107.26 1xyd s GLU 21 Ca -0.13 -1.19 0.00 0.00 -0.15 0.00 0.00 54.97 53.50 1xyd s GLU 21 Cb 0.17 0.49 0.00 0.00 -0.44 0.00 0.00 34.13 34.34 1xyd s GLU 21 CO 0.80 -0.65 0.00 0.41 0.95 0.00 0.00 175.26 176.77 1xyd n GLY 22 N -0.38 -1.79 0.09 -3.83 0.00 -1.26 -4.59 105.19 93.42 1xyd n GLY 22 Ca -0.03 -1.88 -0.03 0.00 0.00 0.00 0.00 46.02 44.08 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 -0.29 0.00 1.61 3.32 -1.92 -3.45 116.42 115.69 1xyd h ASP 23 Ca 0.00 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1xyd h ASP 23 Cb 0.00 0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.66 1xyd h ASP 23 CO 0.00 -0.10 0.00 0.29 -1.72 0.00 0.00 179.24 177.71 1xyd n LYS 24 N -3.00 0.00 -2.70 3.56 4.76 -1.26 -5.02 118.16 114.51 1xyd n LYS 24 Ca -0.01 0.00 -0.06 0.00 -2.87 0.00 0.00 58.31 55.36 1xyd n LYS 24 Cb 0.07 0.00 0.10 0.00 -1.84 0.00 0.00 35.03 33.36 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 0.00 -1.31 -4.33 2.13 -0.00 -1.25 -4.13 115.22 106.33 1xyd n HIS 25 Ca 0.00 -2.11 -0.19 0.00 -0.00 0.00 0.00 57.72 55.42 1xyd n HIS 25 Cb 0.00 1.01 -0.13 0.00 -0.00 0.00 0.00 29.99 30.87 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 -0.86 0.85 -0.19 -0.41 2.20 -1.14 -4.63 119.74 115.56 1xyd s LYS 26 Ca 0.22 -0.67 -0.16 0.00 -0.36 0.00 0.00 55.97 55.00 1xyd s LYS 26 Cb 0.42 -0.83 -0.04 0.00 -1.51 0.00 0.00 37.83 35.87 1xyd s LYS 26 CO -0.06 0.21 0.42 -1.17 -0.36 0.00 0.00 175.35 174.39 1xyd s LEU 27 N -0.98 4.17 0.13 5.43 1.98 -1.20 -4.42 118.68 123.79 1xyd s LEU 27 Ca 0.01 0.58 0.05 0.00 -2.89 0.00 0.00 54.13 51.87 1xyd s LEU 27 Cb -0.07 -2.56 -0.04 0.00 0.66 0.00 0.00 46.19 44.18 1xyd s LEU 27 CO 0.01 -0.07 0.09 -0.54 -1.89 0.00 0.00 176.35 173.94 1xyd s LYS 28 N 1.23 2.79 0.25 1.98 1.02 -1.26 -2.71 119.74 123.03 1xyd s LYS 28 Ca 0.21 -0.83 -0.06 0.00 0.02 0.00 0.00 55.97 55.30 1xyd s LYS 28 Cb -0.15 -2.63 0.45 0.00 -0.52 0.00 0.00 37.83 34.99 1xyd s LYS 28 CO 0.08 0.51 1.64 -0.22 -0.92 0.00 0.00 175.35 176.45 1xyd h LYS 29 N 2.86 0.13 0.00 1.68 3.64 -1.98 0.53 116.57 123.43 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 1.18 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 1xyd h LYS 29 CO 0.63 0.08 0.30 0.43 -2.27 0.00 0.00 179.45 178.62 1xyd n SER 30 N -5.31 0.04 -0.13 4.20 7.64 -1.26 -0.23 113.62 118.58 1xyd n SER 30 Ca 0.14 0.27 -0.23 0.00 1.01 0.00 0.00 58.87 60.06 1xyd n SER 30 Cb 0.48 -0.25 -0.10 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 -1.35 0.59 0.29 1.43 4.71 0.19 -3.32 120.64 123.17 1xyd n GLU 31 Ca -0.00 0.20 -0.16 0.00 -0.01 0.00 0.00 57.16 57.18 1xyd n GLU 31 Cb 0.30 -1.46 -0.08 0.00 -1.01 0.00 0.00 31.44 29.18 1xyd n GLU 31 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 1xyd h LEU 32 N -0.49 -0.66 -0.83 -4.62 6.46 -0.42 2.99 115.31 117.74 1xyd h LEU 32 Ca -0.61 0.03 -0.04 0.00 -0.12 0.00 0.00 57.88 57.14 1xyd h LEU 32 Cb 1.72 0.19 -0.04 0.00 -0.73 0.00 0.00 40.66 41.79 1xyd h LEU 32 CO -0.25 -0.44 0.33 0.50 -0.62 0.00 0.00 178.44 177.96 1xyd h LYS 33 N -0.71 1.19 -0.01 1.25 3.64 -1.50 0.17 116.57 120.59 1xyd h LYS 33 Ca -0.06 -0.21 -0.16 0.00 -1.27 0.00 0.00 60.65 58.95 1xyd h LYS 33 Cb 0.57 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 1xyd h LYS 33 CO 0.08 0.95 -0.75 1.49 -2.27 0.00 0.00 179.45 178.96 1xyd h GLU 34 N 1.16 0.08 0.01 1.90 4.57 -1.45 -2.46 114.58 118.39 1xyd h GLU 34 Ca 0.27 -0.07 -0.19 0.00 -1.18 0.00 0.00 59.36 58.18 1xyd h GLU 34 Cb 0.20 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.79 1xyd h GLU 34 CO -0.02 0.79 -0.89 1.25 -1.18 0.00 0.00 179.01 178.96 1xyd h LEU 35 N 0.05 0.15 -0.40 1.64 5.85 0.58 -0.29 115.31 122.89 1xyd h LEU 35 Ca -0.02 -0.13 -0.17 0.00 0.84 0.00 0.00 57.88 58.41 1xyd h LEU 35 Cb 1.32 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 42.30 1xyd h LEU 35 CO 0.10 0.96 -0.45 0.40 -0.34 0.00 0.00 178.44 179.12 1xyd h ILE 36 N 0.06 1.28 0.00 4.05 2.04 -0.59 0.44 117.51 124.78 1xyd h ILE 36 Ca -0.03 -1.63 -0.09 0.00 1.00 0.00 0.00 64.86 64.11 1xyd h ILE 36 Cb 1.54 1.50 -0.01 0.00 -0.74 0.00 0.00 36.82 39.11 1xyd h ILE 36 CO 0.13 0.54 -0.56 -1.13 0.00 0.00 0.00 178.15 177.12 1xyd h ASN 37 N 0.68 0.00 0.00 1.72 -1.24 -1.43 -1.75 115.58 113.57 1xyd h ASN 37 Ca 0.04 0.00 -0.41 0.00 0.71 0.00 0.00 56.30 56.65 1xyd h ASN 37 Cb 1.04 0.00 -0.07 0.00 0.73 0.00 0.00 38.32 40.02 1xyd h ASN 37 CO 0.10 0.39 -2.48 0.59 -1.29 0.00 0.00 177.43 174.74 1xyd n ASN 38 N -3.13 1.98 -0.00 1.15 4.13 -0.12 -4.49 115.26 114.77 1xyd n ASN 38 Ca 0.01 -0.03 -0.00 0.00 1.68 0.00 0.00 54.58 56.24 1xyd n ASN 38 Cb 0.70 -0.51 -0.00 0.00 -1.54 0.00 0.00 39.78 38.43 1xyd n ASN 38 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 1xyd n GLU 39 N -3.48 0.00 -0.32 3.52 4.07 0.15 -4.51 120.64 120.07 1xyd n GLU 39 Ca -0.48 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.63 1xyd n GLU 39 Cb 0.97 -0.50 0.00 0.00 -0.06 0.00 0.00 31.44 31.85 1xyd n GLU 39 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 1xyd n LEU 40 N -2.51 3.91 0.10 4.31 4.77 -0.68 -3.83 117.00 123.06 1xyd n LEU 40 Ca -0.00 -1.79 0.12 0.00 -0.03 0.00 0.00 56.01 54.31 1xyd n LEU 40 Cb 0.00 -0.80 0.08 0.00 -2.33 0.00 0.00 43.42 40.37 1xyd n LEU 40 CO 0.00 0.73 0.22 0.77 -1.33 0.00 0.00 177.39 177.77 1xyd h SER 41 N 1.31 0.00 0.71 -1.43 4.64 -1.42 0.19 113.55 117.56 1xyd h SER 41 Ca 0.00 -0.09 -0.22 0.00 -0.47 0.00 0.00 61.79 61.01 1xyd h SER 41 Cb 0.81 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.86 1xyd h SER 41 CO 0.00 0.04 -1.42 0.45 -0.87 0.00 0.00 176.83 175.04 1xyd h HIS 42 N 0.00 0.00 0.00 4.77 3.86 -1.86 -3.40 115.15 118.52 1xyd h HIS 42 Ca 0.00 0.00 -0.26 0.00 -1.16 0.00 0.00 60.37 58.95 1xyd h HIS 42 Cb 0.90 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 29.32 1xyd h HIS 42 CO 0.00 0.81 -1.96 1.19 0.86 0.00 0.00 177.93 178.83 1xyd n PHE 43 N -3.04 0.00 -3.88 2.45 3.72 -1.25 -4.95 117.46 110.51 1xyd n PHE 43 Ca -0.11 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 56.94 1xyd n PHE 43 Cb 0.94 -0.65 -0.10 0.00 -0.94 0.00 0.00 39.48 38.73 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 -6.05 3.90 0.34 4.37 2.96 0.67 -5.06 118.68 119.81 1xyd s LEU 44 Ca -0.23 0.08 -0.28 0.00 -0.22 0.00 0.00 54.13 53.49 1xyd s LEU 44 Cb 0.06 -2.01 -0.12 0.00 0.50 0.00 0.00 46.19 44.62 1xyd s LEU 44 CO 0.39 0.14 1.25 -0.62 -1.32 0.00 0.00 176.35 176.18 1xyd n GLU 45 N 3.79 2.01 -2.13 1.98 -0.58 -1.26 -3.83 120.64 120.62 1xyd n GLU 45 Ca -0.16 0.71 -0.41 0.00 -0.42 0.00 0.00 57.16 56.88 1xyd n GLU 45 Cb 0.52 -2.27 -0.03 0.00 -0.57 0.00 0.00 31.44 29.09 1xyd n GLU 45 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 1xyd s GLU 46 N -1.87 3.05 0.26 3.49 1.03 -1.26 -4.85 118.70 118.55 1xyd s GLU 46 Ca 0.56 0.84 -0.30 0.00 0.03 0.00 0.00 54.97 56.10 1xyd s GLU 46 Cb -0.58 -4.25 -0.10 0.00 -0.80 0.00 0.00 34.13 28.40 1xyd s GLU 46 CO 0.62 -2.22 1.48 0.96 -1.33 0.00 0.00 175.26 174.77 1xyd s ILE 47 N 7.50 2.49 -0.64 1.83 -4.36 -1.26 -4.87 121.20 121.89 1xyd s ILE 47 Ca 0.67 0.42 0.22 0.00 -0.26 0.00 0.00 60.65 61.70 1xyd s ILE 47 Cb -0.15 -3.26 -0.20 0.00 1.25 0.00 0.00 42.46 40.10 1xyd s ILE 47 CO 0.26 0.07 0.88 0.29 0.24 0.00 0.00 174.94 176.68 1xyd n LYS 48 N 2.25 0.25 -4.38 0.37 4.01 -1.26 -4.83 118.16 114.57 1xyd n LYS 48 Ca 0.07 -0.04 -0.30 0.00 -0.51 0.00 0.00 58.31 57.53 1xyd n LYS 48 Cb 0.39 -1.54 -0.17 0.00 -0.51 0.00 0.00 35.03 33.21 1xyd n LYS 48 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 1xyd s GLU 49 N -3.19 2.41 0.15 1.97 2.02 -1.26 -4.97 118.70 115.83 1xyd s GLU 49 Ca 0.03 -0.62 0.07 0.00 0.02 0.00 0.00 54.97 54.47 1xyd s GLU 49 Cb 0.15 -2.06 0.38 0.00 0.10 0.00 0.00 34.13 32.69 1xyd s GLU 49 CO 0.84 -0.10 1.09 1.04 0.02 0.00 0.00 175.26 178.16 1xyd n GLN 50 N 4.33 0.05 -0.34 1.61 3.00 -1.26 -3.05 117.38 121.72 1xyd n GLN 50 Ca -0.19 0.46 0.03 0.00 -0.01 0.00 0.00 57.00 57.29 1xyd n GLN 50 Cb 0.51 -1.84 0.09 0.00 0.00 0.00 0.00 30.24 29.00 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 -1.69 -0.13 -0.02 -1.09 2.13 -1.26 0.22 120.64 118.79 1xyd n GLU 51 Ca -0.00 1.42 -0.05 0.00 0.66 0.00 0.00 57.16 59.18 1xyd n GLU 51 Cb 0.20 -2.12 0.15 0.00 0.27 0.00 0.00 31.44 29.94 1xyd n GLU 51 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1xyd h VAL 52 N 0.00 1.27 0.00 6.31 2.07 -1.97 0.11 116.25 124.05 1xyd h VAL 52 Ca 0.39 -1.35 -0.03 0.00 0.82 0.00 0.00 66.70 66.53 1xyd h VAL 52 Cb 0.62 1.35 -0.00 0.00 -1.52 0.00 0.00 31.29 31.74 1xyd h VAL 52 CO -0.93 0.43 -0.15 1.62 0.02 0.00 0.00 177.57 178.57 1xyd h VAL 53 N 0.51 0.50 0.06 2.57 3.04 0.22 1.72 116.25 124.86 1xyd h VAL 53 Ca 0.07 -0.73 -0.24 0.00 -1.01 0.00 0.00 66.70 64.78 1xyd h VAL 53 Cb 0.74 1.50 -0.00 0.00 -2.01 0.00 0.00 31.29 31.52 1xyd h VAL 53 CO 0.06 0.15 -1.08 -0.78 -1.01 0.00 0.00 177.57 174.90 1xyd h ASP 54 N 0.00 0.41 0.17 3.17 1.82 0.48 -2.71 116.42 119.75 1xyd h ASP 54 Ca -0.00 -0.38 -0.26 0.00 -0.39 0.00 0.00 57.03 56.00 1xyd h ASP 54 Cb 0.49 -0.13 0.02 0.00 0.68 0.00 0.00 39.33 40.39 1xyd h ASP 54 CO 0.02 1.24 -1.21 0.50 -1.61 0.00 0.00 179.24 178.18 1xyd h LYS 55 N 0.12 0.36 -0.69 0.28 3.11 0.52 -3.14 116.57 117.13 1xyd h LYS 55 Ca -0.10 -0.62 0.09 0.00 -2.81 0.00 0.00 60.65 57.21 1xyd h LYS 55 Cb 1.76 0.23 -0.07 0.00 -1.00 0.00 0.00 32.23 33.16 1xyd h LYS 55 CO 0.18 1.30 0.35 -0.24 -2.81 0.00 0.00 179.45 178.22 1xyd h VAL 56 N -0.18 0.87 -0.33 2.00 3.04 0.24 0.15 116.25 122.04 1xyd h VAL 56 Ca -0.23 -0.21 0.00 0.00 -1.01 0.00 0.00 66.70 65.26 1xyd h VAL 56 Cb 1.85 0.21 -0.02 0.00 -2.01 0.00 0.00 31.29 31.33 1xyd h VAL 56 CO 0.17 0.11 0.21 0.24 -1.01 0.00 0.00 177.57 177.28 1xyd h MET 57 N 0.60 0.44 0.00 4.17 2.86 -1.56 0.61 114.93 122.05 1xyd h MET 57 Ca 0.33 -0.03 -0.06 0.00 -2.06 0.00 0.00 59.70 57.88 1xyd h MET 57 Cb 0.33 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.88 1xyd h MET 57 CO -0.25 0.30 -0.30 0.93 1.06 0.00 0.00 176.91 178.66 1xyd h GLU 58 N 0.45 0.00 0.00 1.72 5.08 -0.67 1.62 114.58 122.78 1xyd h GLU 58 Ca 0.12 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.26 1xyd h GLU 58 Cb -0.03 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.18 1xyd h GLU 58 CO -0.02 0.30 -1.70 2.41 -1.00 0.00 0.00 179.01 179.00 1xyd n THR 59 N -3.88 1.23 -0.13 1.13 -1.04 -0.01 -4.55 114.28 107.04 1xyd n THR 59 Ca -0.02 -0.73 -0.24 0.00 -2.04 0.00 0.00 64.05 61.03 1xyd n THR 59 Cb 0.37 -0.70 -0.10 0.00 -1.82 0.00 0.00 70.33 68.08 1xyd n THR 59 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1xyd n LEU 60 N -2.85 2.35 -4.54 -4.42 7.99 0.19 -4.89 117.00 110.84 1xyd n LEU 60 Ca -0.15 0.13 -0.47 0.00 -0.01 0.00 0.00 56.01 55.51 1xyd n LEU 60 Cb 0.92 -0.82 -0.05 0.00 -0.11 0.00 0.00 43.42 43.36 1xyd n LEU 60 CO 0.44 0.71 1.79 -0.67 -1.51 0.00 0.00 177.39 178.15 1xyd n ASP 61 N -3.78 2.78 -0.05 -1.43 -0.08 0.55 -4.79 116.55 109.75 1xyd n ASP 61 Ca -0.49 0.39 -0.22 0.00 -1.51 0.00 0.00 54.79 52.96 1xyd n ASP 61 Cb 0.91 -1.40 -0.13 0.00 2.34 0.00 0.00 41.12 42.85 1xyd n ASP 61 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1xyd h GLU 62 N 13.16 0.13 0.00 -0.67 4.39 -1.90 -3.31 114.58 126.39 1xyd h GLU 62 Ca -0.36 -0.22 0.00 0.00 0.34 0.00 0.00 59.36 59.12 1xyd h GLU 62 Cb 1.28 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 30.01 1xyd h GLU 62 CO 0.99 1.11 0.00 -0.40 -1.16 0.00 0.00 179.01 179.54 1xyd n ASP 63 N -4.01 0.00 -3.48 1.42 5.68 -1.26 -4.87 116.55 110.03 1xyd n ASP 63 Ca -0.31 -0.53 -0.21 0.00 -0.50 0.00 0.00 54.79 53.24 1xyd n ASP 63 Cb 0.85 -0.15 0.08 0.00 -1.14 0.00 0.00 41.12 40.76 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 1.10 -0.46 0.24 6.12 0.00 -1.25 -4.87 105.19 106.08 1xyd n GLY 64 Ca 0.18 0.19 0.12 0.00 0.00 0.00 0.00 46.02 46.52 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 -2.97 1.11 0.00 1.61 5.68 -1.26 -4.90 116.55 115.82 1xyd n ASP 65 Ca -0.09 -0.91 0.00 0.00 -0.50 0.00 0.00 54.79 53.29 1xyd n ASP 65 Cb 0.59 0.24 0.00 0.00 -1.14 0.00 0.00 41.12 40.81 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 1.38 0.76 3.50 6.12 0.00 -1.26 -4.95 105.19 110.73 1xyd n GLY 66 Ca 0.11 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.24 1.76 -0.40 1.61 2.02 -1.26 -4.69 118.70 117.49 1xyd s GLU 67 Ca 0.00 -2.00 0.02 0.00 0.02 0.00 0.00 54.97 53.01 1xyd s GLU 67 Cb 0.00 -1.01 0.12 0.00 0.10 0.00 0.00 34.13 33.34 1xyd s GLU 67 CO 0.00 -0.20 0.17 0.00 0.02 0.00 0.00 175.26 175.25 1xyd n ASP 69 N 3.95 -1.29 0.08 0.00 5.68 -1.26 -3.27 116.55 120.44 1xyd n ASP 69 Ca 0.04 0.00 -0.05 0.00 -0.50 0.00 0.00 54.79 54.28 1xyd n ASP 69 Cb 0.37 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.32 1xyd n ASP 69 CO 0.00 0.00 0.00 2.19 -1.33 0.00 0.00 177.20 178.06 1xyd h PHE 70 N -1.64 0.00 -0.35 2.11 -5.15 -1.98 -0.97 116.94 108.96 1xyd h PHE 70 Ca 0.00 0.00 -0.10 0.00 -0.20 0.00 0.00 57.97 57.67 1xyd h PHE 70 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.16 1xyd h PHE 70 CO 0.00 0.88 -0.19 0.37 -2.00 0.00 0.00 178.31 177.37 1xyd h GLN 71 N 0.00 0.74 0.02 6.09 4.15 -1.99 -2.88 115.11 121.25 1xyd h GLN 71 Ca -0.01 -0.33 -0.31 0.00 0.77 0.00 0.00 58.65 58.76 1xyd h GLN 71 Cb 1.58 -0.02 -0.05 0.00 0.21 0.00 0.00 27.48 29.21 1xyd h GLN 71 CO 0.11 0.95 -1.83 -0.85 -1.93 0.00 0.00 178.83 175.28 1xyd n GLU 72 N -4.30 0.66 -0.23 1.69 0.28 -1.25 -3.42 120.64 114.08 1xyd n GLU 72 Ca -0.02 0.27 0.01 0.00 -0.16 0.00 0.00 57.16 57.26 1xyd n GLU 72 Cb 0.41 -1.75 0.13 0.00 1.43 0.00 0.00 31.44 31.66 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 0.01 0.50 -0.43 -1.84 3.57 -1.23 0.46 116.94 117.99 1xyd h PHE 73 Ca -0.34 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.18 1xyd h PHE 73 Cb 2.03 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 40.63 1xyd h PHE 73 CO 0.02 0.14 0.23 0.52 -2.23 0.00 0.00 178.31 176.98 1xyd h MET 74 N 0.48 0.61 -0.15 1.11 2.86 -1.64 0.24 114.93 118.45 1xyd h MET 74 Ca 0.34 -0.08 0.04 0.00 -2.06 0.00 0.00 59.70 57.95 1xyd h MET 74 Cb 0.42 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.96 1xyd h MET 74 CO -0.31 0.50 0.42 0.00 1.06 0.00 0.00 176.91 178.58 1xyd h ALA 75 N 1.08 1.64 0.04 6.32 0.00 -0.18 0.46 119.26 128.61 1xyd h ALA 75 Ca 0.15 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1xyd h ALA 75 Cb 0.08 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1xyd h ALA 75 CO -0.02 -0.49 -0.02 0.35 0.00 0.00 0.00 179.25 179.07 1xyd h PHE 76 N 0.00 -0.05 -0.62 0.00 3.57 0.85 -1.99 116.94 118.70 1xyd h PHE 76 Ca 0.07 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.66 1xyd h PHE 76 Cb 0.90 0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.62 1xyd h PHE 76 CO 0.00 0.48 0.41 0.28 -2.23 0.00 0.00 178.31 177.25 1xyd h VAL 77 N -0.61 0.92 -0.25 1.41 2.07 -0.91 0.18 116.25 119.06 1xyd h VAL 77 Ca -0.01 -0.16 -0.07 0.00 0.82 0.00 0.00 66.70 67.28 1xyd h VAL 77 Cb 0.55 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 1xyd h VAL 77 CO 0.01 0.09 -0.14 0.28 0.02 0.00 0.00 177.57 177.82 1xyd h SER 78 N 0.48 0.41 1.07 0.57 0.02 -1.18 2.06 113.55 116.97 1xyd h SER 78 Ca 0.28 -0.11 -0.09 0.00 -0.84 0.00 0.00 61.79 61.03 1xyd h SER 78 Cb 0.48 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 1xyd h SER 78 CO -0.08 0.58 -0.44 -0.03 -1.14 0.00 0.00 176.83 175.72 1xyd h MET 79 N 0.39 0.00 0.09 3.45 -1.53 0.07 0.52 114.93 117.92 1xyd h MET 79 Ca 0.07 0.00 -0.31 0.00 -3.44 0.00 0.00 59.70 56.02 1xyd h MET 79 Cb 0.49 0.00 -0.02 0.00 -0.55 0.00 0.00 31.60 31.52 1xyd h MET 79 CO 0.03 0.44 -1.65 0.28 0.14 0.00 0.00 176.91 176.15 1xyd h VAL 80 N 0.00 0.99 -0.05 -5.77 2.07 -0.04 -3.12 116.25 110.33 1xyd h VAL 80 Ca -0.00 -2.70 -0.18 0.00 0.82 0.00 0.00 66.70 64.64 1xyd h VAL 80 Cb 1.09 2.64 -0.01 0.00 -1.52 0.00 0.00 31.29 33.49 1xyd h VAL 80 CO 0.06 0.77 -0.73 0.74 0.02 0.00 0.00 177.57 178.43 1xyd h THR 81 N 0.05 1.41 -0.27 2.57 2.02 0.35 -3.01 112.91 116.03 1xyd h THR 81 Ca -0.28 -2.21 -0.13 0.00 0.77 0.00 0.00 66.41 64.56 1xyd h THR 81 Cb 2.01 2.17 -0.01 0.00 -1.74 0.00 0.00 68.15 70.58 1xyd h THR 81 CO 0.13 0.65 -0.35 0.71 0.37 0.00 0.00 175.52 177.03 1xyd h THR 82 N 0.20 1.29 -0.41 3.16 1.35 -0.05 -1.97 112.91 116.49 1xyd h THR 82 Ca -0.03 -1.49 -0.11 0.00 -0.55 0.00 0.00 66.41 64.23 1xyd h THR 82 Cb 1.29 1.46 -0.01 0.00 -1.73 0.00 0.00 68.15 69.16 1xyd h THR 82 CO 0.12 0.48 -0.20 0.00 -0.25 0.00 0.00 175.52 175.66 1xyd h ALA 83 N 1.10 0.88 0.00 6.62 0.00 -1.51 0.50 119.26 126.85 1xyd h ALA 83 Ca 0.05 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1xyd h ALA 83 Cb 0.85 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1xyd h ALA 83 CO 0.07 0.63 0.00 0.00 0.00 0.00 0.00 179.25 179.95 1xyd n HIS 85 N -1.17 0.00 0.10 0.00 -0.00 -0.70 -4.26 115.22 109.20 1xyd n HIS 85 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.90 1xyd n HIS 85 Cb 0.18 -0.84 -0.02 0.00 -0.00 0.00 0.00 29.99 29.31 1xyd n HIS 85 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 176.34 177.39 1xyd h GLU 86 N 0.00 0.00 0.64 1.57 4.11 -0.97 -3.03 114.58 116.90 1xyd h GLU 86 Ca -0.48 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 58.92 1xyd h GLU 86 Cb 1.82 0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.08 1xyd h GLU 86 CO -0.05 0.56 -0.31 0.35 0.07 0.00 0.00 179.01 179.63 1xyd h PHE 87 N 0.00 -0.80 0.00 2.06 3.04 -1.62 -0.78 116.94 118.85 1xyd h PHE 87 Ca -0.04 -0.02 -0.03 0.00 3.98 0.00 0.00 57.97 61.87 1xyd h PHE 87 Cb 1.50 0.26 -0.00 0.00 2.56 0.00 0.00 35.95 40.27 1xyd h PHE 87 CO 0.00 -0.46 -0.14 0.35 -2.02 0.00 0.00 178.31 176.04 1xyd h PHE 88 N -0.99 0.00 -0.71 0.41 3.57 -1.74 -1.54 116.94 115.94 1xyd h PHE 88 Ca -0.09 0.00 -0.32 0.00 3.53 0.00 0.00 57.97 61.10 1xyd h PHE 88 Cb 0.70 0.00 -0.19 0.00 2.79 0.00 0.00 35.95 39.25 1xyd h PHE 88 CO -0.01 0.14 0.40 0.39 -2.23 0.00 0.00 178.31 177.00 1xyd n GLU 89 N -4.26 2.43 -2.02 1.11 1.02 -1.01 -4.90 120.64 113.01 1xyd n GLU 89 Ca -0.02 -2.37 -0.39 0.00 -0.02 0.00 0.00 57.16 54.36 1xyd n GLU 89 Cb 0.21 -1.96 -0.03 0.00 -0.02 0.00 0.00 31.44 29.65 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 -2.52 1.65 -2.00 -0.32 2.46 -0.33 -4.94 115.29 109.29 1xyd s HIS 90 Ca 0.44 0.82 0.16 0.00 0.47 0.00 0.00 55.06 56.95 1xyd s HIS 90 Cb 0.36 -4.07 0.97 0.00 -0.13 0.00 0.00 32.58 29.71 1xyd s HIS 90 CO 0.09 -2.36 1.37 -0.85 -2.47 0.00 0.00 174.74 170.52