#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 5.49 -0.31 7.83 7.64 -1.26 -4.81 113.62 128.20 1xyd n SER 1 Ca 0.00 -3.10 0.29 0.00 1.01 0.00 0.00 58.87 57.07 1xyd n SER 1 Cb 0.00 -1.45 0.63 0.00 -1.01 0.00 0.00 64.21 62.38 1xyd n SER 1 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1xyd h GLU 2 N 6.40 0.18 0.00 1.43 5.08 -2.07 1.44 114.58 127.05 1xyd h GLU 2 Ca 0.28 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1xyd h GLU 2 Cb 0.77 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.98 1xyd h GLU 2 CO 1.29 0.12 0.00 -0.07 -1.00 0.00 0.00 179.01 179.35 1xyd h LEU 3 N 0.19 0.00 -0.76 1.33 -0.00 -2.01 -1.78 115.31 112.28 1xyd h LEU 3 Ca 0.57 0.00 -0.10 0.00 -0.00 0.00 0.00 57.88 58.34 1xyd h LEU 3 Cb 1.84 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 42.49 1xyd h LEU 3 CO -0.15 0.00 -0.49 -0.08 -0.00 0.00 0.00 178.44 177.72 1xyd h GLU 4 N 0.00 0.00 -0.15 1.13 4.81 0.16 -1.09 114.58 119.45 1xyd h GLU 4 Ca 0.00 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 1xyd h GLU 4 Cb 0.42 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.80 1xyd h GLU 4 CO 0.00 0.49 -0.06 0.87 -0.73 0.00 0.00 179.01 179.57 1xyd h LYS 5 N 0.00 0.30 0.39 1.92 1.79 -1.29 -2.30 116.57 117.38 1xyd h LYS 5 Ca -0.00 -0.13 -0.02 0.00 -2.18 0.00 0.00 60.65 58.32 1xyd h LYS 5 Cb 1.04 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.68 1xyd h LYS 5 CO 0.06 0.62 -0.19 0.00 -1.08 0.00 0.00 179.45 178.87 1xyd h ALA 6 N 0.68 -0.52 -1.00 3.86 0.00 -1.45 0.31 119.26 121.13 1xyd h ALA 6 Ca 0.03 -0.17 0.22 0.00 0.00 0.00 0.00 54.91 54.99 1xyd h ALA 6 Cb 0.52 0.20 -0.11 0.00 0.00 0.00 0.00 17.79 18.40 1xyd h ALA 6 CO 0.02 -0.68 0.61 0.52 0.00 0.00 0.00 179.25 179.71 1xyd h MET 7 N -0.74 0.65 0.20 0.00 2.86 -1.24 0.36 114.93 117.03 1xyd h MET 7 Ca -0.05 -0.04 -0.32 0.00 -2.06 0.00 0.00 59.70 57.23 1xyd h MET 7 Cb 0.51 -0.15 0.03 0.00 0.06 0.00 0.00 31.60 32.05 1xyd h MET 7 CO 0.09 0.43 -1.38 0.28 1.06 0.00 0.00 176.91 177.39 1xyd h VAL 8 N 0.67 1.31 -0.06 -2.22 2.07 -1.22 -2.38 116.25 114.42 1xyd h VAL 8 Ca 0.61 -2.68 -0.06 0.00 0.82 0.00 0.00 66.70 65.40 1xyd h VAL 8 Cb 1.06 2.92 -0.01 0.00 -1.52 0.00 0.00 31.29 33.74 1xyd h VAL 8 CO -0.42 0.80 -0.22 0.00 0.02 0.00 0.00 177.57 177.75 1xyd h ALA 9 N 0.26 1.52 0.03 1.67 0.00 0.12 -3.10 119.26 119.77 1xyd h ALA 9 Ca -0.22 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.42 1xyd h ALA 9 Cb 2.06 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.80 1xyd h ALA 9 CO 0.26 0.35 -0.19 -0.07 0.00 0.00 0.00 179.25 179.60 1xyd h LEU 10 N 0.10 0.11 -1.11 0.00 4.07 -0.38 -3.18 115.31 114.91 1xyd h LEU 10 Ca 0.02 -0.99 0.31 0.00 0.08 0.00 0.00 57.88 57.30 1xyd h LEU 10 Cb 0.45 -0.03 -0.13 0.00 1.08 0.00 0.00 40.66 42.02 1xyd h LEU 10 CO 0.03 1.09 0.63 0.40 -1.08 0.00 0.00 178.44 179.51 1xyd h ILE 11 N -0.85 0.35 0.08 1.22 2.04 -1.37 2.78 117.51 121.76 1xyd h ILE 11 Ca -0.03 -0.12 -0.00 0.00 1.00 0.00 0.00 64.86 65.70 1xyd h ILE 11 Cb 1.15 -0.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.20 1xyd h ILE 11 CO 0.03 0.06 -0.04 0.44 0.00 0.00 0.00 178.15 178.65 1xyd h ASP 12 N 0.35 -0.10 0.95 1.72 3.32 -1.63 -1.18 116.42 119.85 1xyd h ASP 12 Ca 0.71 -0.34 -0.10 0.00 0.02 0.00 0.00 57.03 57.31 1xyd h ASP 12 Cb 1.69 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 41.25 1xyd h ASP 12 CO -0.51 0.31 -0.50 0.58 -1.72 0.00 0.00 179.24 177.40 1xyd h VAL 13 N -0.51 1.05 -0.09 -1.35 2.07 -0.71 -2.09 116.25 114.62 1xyd h VAL 13 Ca -0.01 -1.94 -0.09 0.00 0.82 0.00 0.00 66.70 65.48 1xyd h VAL 13 Cb 0.43 2.15 0.00 0.00 -1.52 0.00 0.00 31.29 32.36 1xyd h VAL 13 CO 0.02 0.49 -0.28 -0.26 0.02 0.00 0.00 177.57 177.55 1xyd h PHE 14 N 0.00 0.45 -0.00 1.57 -1.00 0.48 -2.69 116.94 115.75 1xyd h PHE 14 Ca -0.00 -0.18 -0.19 0.00 2.81 0.00 0.00 57.97 60.40 1xyd h PHE 14 Cb 1.11 -0.08 -0.01 0.00 3.61 0.00 0.00 35.95 40.58 1xyd h PHE 14 CO 0.00 0.90 -0.85 1.25 -1.61 0.00 0.00 178.31 178.00 1xyd h HIS 15 N -0.13 0.29 -0.61 -0.55 2.76 -1.25 0.30 115.15 115.96 1xyd h HIS 15 Ca -0.01 -0.15 -0.09 0.00 -2.20 0.00 0.00 60.37 57.92 1xyd h HIS 15 Cb 0.91 -0.03 -0.02 0.00 1.55 0.00 0.00 27.41 29.82 1xyd h HIS 15 CO 0.12 0.95 0.03 1.96 -1.30 0.00 0.00 177.93 179.69 1xyd h GLN 16 N 0.11 1.05 0.00 5.26 1.08 -1.43 0.21 115.11 121.39 1xyd h GLN 16 Ca -0.04 -0.32 -0.04 0.00 -1.45 0.00 0.00 58.65 56.80 1xyd h GLN 16 Cb 1.47 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 28.79 1xyd h GLN 16 CO 0.13 1.02 -0.66 0.66 -0.95 0.00 0.00 178.83 179.02 1xyd n TYR 17 N -4.22 0.93 0.16 2.96 4.02 -1.01 -2.32 117.16 117.68 1xyd n TYR 17 Ca 0.03 0.40 0.18 0.00 -0.01 0.00 0.00 57.90 58.50 1xyd n TYR 17 Cb 0.33 -0.83 0.79 0.00 -0.02 0.00 0.00 39.34 39.61 1xyd n TYR 17 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1xyd h SER 18 N -1.00 0.00 0.00 7.72 0.87 -0.53 0.44 113.55 121.05 1xyd h SER 18 Ca -0.07 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 1xyd h SER 18 Cb 0.66 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.62 1xyd h SER 18 CO -0.04 0.00 -0.08 0.61 -0.53 0.00 0.00 176.83 176.79 1xyd n GLY 19 N -1.45 0.39 0.18 5.77 0.00 0.73 -2.43 105.19 108.38 1xyd n GLY 19 Ca 0.04 -0.57 -0.10 0.00 0.00 0.00 0.00 46.02 45.38 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 3.29 0.55 -2.61 1.61 2.43 0.31 -3.46 114.38 116.50 1xyd h ARG 20 Ca 0.00 -0.13 0.07 0.00 -0.81 0.00 0.00 59.98 59.11 1xyd h ARG 20 Cb 0.75 -0.07 -0.12 0.00 -0.42 0.00 0.00 29.97 30.11 1xyd h ARG 20 CO 0.00 0.59 0.37 -1.83 -1.51 0.00 0.00 179.97 177.59 1xyd s GLU 21 N -5.34 1.14 0.00 0.20 -1.05 -1.25 -5.05 118.70 107.35 1xyd s GLU 21 Ca -0.13 -0.49 0.00 0.00 -0.15 0.00 0.00 54.97 54.20 1xyd s GLU 21 Cb 0.09 0.48 0.00 0.00 -0.44 0.00 0.00 34.13 34.26 1xyd s GLU 21 CO 0.75 -0.51 0.00 0.41 0.95 0.00 0.00 175.26 176.87 1xyd n GLY 22 N -0.35 0.56 1.00 -3.83 0.00 -1.26 -4.41 105.19 96.90 1xyd n GLY 22 Ca -0.11 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.16 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 2.76 0.00 1.61 2.03 -1.26 -4.73 116.55 116.96 1xyd n ASP 23 Ca 0.00 -1.84 0.00 0.00 0.52 0.00 0.00 54.79 53.47 1xyd n ASP 23 Cb 0.00 -0.46 0.00 0.00 -0.72 0.00 0.00 41.12 39.94 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 0.54 0.00 -2.69 -0.67 0.00 -1.26 -4.52 118.16 109.55 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 0.46 -3.10 0.09 0.00 0.00 0.00 0.00 35.03 32.48 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 -1.83 -1.00 -3.94 5.64 -0.00 -1.02 -3.45 115.22 109.63 1xyd n HIS 25 Ca 0.00 -2.19 -0.10 0.00 -0.00 0.00 0.00 57.72 55.44 1xyd n HIS 25 Cb 0.00 0.84 -0.11 0.00 -0.00 0.00 0.00 29.99 30.71 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 -1.17 0.31 -0.15 -0.41 2.20 -1.03 -4.67 119.74 114.83 1xyd s LYS 26 Ca 0.22 -0.48 -0.15 0.00 -0.36 0.00 0.00 55.97 55.21 1xyd s LYS 26 Cb 0.42 0.12 -0.05 0.00 -1.51 0.00 0.00 37.83 36.81 1xyd s LYS 26 CO -0.05 -0.06 0.33 -0.51 -0.36 0.00 0.00 175.35 174.70 1xyd s LEU 27 N -1.25 4.25 0.25 5.43 1.02 -1.22 -4.43 118.68 122.74 1xyd s LEU 27 Ca -0.14 0.58 0.09 0.00 0.02 0.00 0.00 54.13 54.68 1xyd s LEU 27 Cb -0.08 -2.44 -0.04 0.00 0.02 0.00 0.00 46.19 43.65 1xyd s LEU 27 CO -0.00 0.09 0.05 -0.54 0.02 0.00 0.00 176.35 175.96 1xyd s LYS 28 N 0.46 2.47 0.25 1.70 1.02 -1.26 -2.77 119.74 121.61 1xyd s LYS 28 Ca 0.18 -1.29 -0.07 0.00 0.02 0.00 0.00 55.97 54.81 1xyd s LYS 28 Cb -0.13 -2.29 0.45 0.00 -0.52 0.00 0.00 37.83 35.34 1xyd s LYS 28 CO 0.05 0.38 1.63 0.87 -0.92 0.00 0.00 175.35 177.36 1xyd h LYS 29 N 1.85 0.08 0.00 1.68 1.57 -1.98 2.04 116.57 121.81 1xyd h LYS 29 Ca -0.46 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1xyd h LYS 29 Cb 1.24 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.53 1xyd h LYS 29 CO 0.60 0.06 0.40 0.77 -0.57 0.00 0.00 179.45 180.71 1xyd h SER 30 N 0.09 0.00 0.12 0.86 0.02 -1.98 0.42 113.55 113.08 1xyd h SER 30 Ca 0.42 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 61.06 1xyd h SER 30 Cb 0.75 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.23 1xyd h SER 30 CO -0.70 0.00 -2.19 -0.62 -1.14 0.00 0.00 176.83 172.18 1xyd n GLU 31 N -2.84 0.67 -0.05 3.45 1.02 0.68 -3.25 120.64 120.31 1xyd n GLU 31 Ca -0.02 0.04 -0.09 0.00 -0.02 0.00 0.00 57.16 57.07 1xyd n GLU 31 Cb 0.45 -1.58 -0.08 0.00 -0.02 0.00 0.00 31.44 30.20 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 -0.01 -0.83 -4.62 6.46 0.14 -0.71 115.31 115.74 1xyd h LEU 32 Ca -0.44 -0.62 -0.11 0.00 -0.12 0.00 0.00 57.88 56.59 1xyd h LEU 32 Cb 2.07 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.99 1xyd h LEU 32 CO 0.04 0.79 -0.29 0.50 -0.62 0.00 0.00 178.44 178.86 1xyd h LYS 33 N -0.98 0.55 0.01 1.25 3.64 -1.07 -1.07 116.57 118.89 1xyd h LYS 33 Ca -0.00 -0.23 -0.19 0.00 -1.27 0.00 0.00 60.65 58.96 1xyd h LYS 33 Cb 0.63 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.41 1xyd h LYS 33 CO 0.00 0.78 -0.89 1.49 -2.27 0.00 0.00 179.45 178.56 1xyd h GLU 34 N 0.48 0.10 -0.06 1.90 4.57 -1.66 -2.71 114.58 117.19 1xyd h GLU 34 Ca 0.06 -0.12 -0.18 0.00 -1.18 0.00 0.00 59.36 57.94 1xyd h GLU 34 Cb 0.74 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.36 1xyd h GLU 34 CO 0.06 0.92 -0.73 1.25 -1.18 0.00 0.00 179.01 179.33 1xyd h LEU 35 N 0.05 0.38 -0.49 1.64 5.85 -0.93 -0.76 115.31 121.05 1xyd h LEU 35 Ca -0.03 -0.25 -0.10 0.00 0.84 0.00 0.00 57.88 58.34 1xyd h LEU 35 Cb 1.54 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.45 1xyd h LEU 35 CO 0.13 0.98 -0.09 0.40 -0.34 0.00 0.00 178.44 179.52 1xyd h ILE 36 N 0.21 1.27 0.00 4.05 2.04 -1.16 -1.62 117.51 122.30 1xyd h ILE 36 Ca -0.03 -1.22 -0.07 0.00 1.00 0.00 0.00 64.86 64.55 1xyd h ILE 36 Cb 1.30 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 38.42 1xyd h ILE 36 CO 0.12 0.42 -0.48 -1.13 0.00 0.00 0.00 178.15 177.08 1xyd h ASN 37 N 0.78 0.00 0.06 1.72 -1.24 -1.45 -2.02 115.58 113.43 1xyd h ASN 37 Ca 0.13 0.00 -0.28 0.00 0.71 0.00 0.00 56.30 56.86 1xyd h ASN 37 Cb 0.64 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.67 1xyd h ASN 37 CO 0.04 0.29 -1.48 -1.13 -1.29 0.00 0.00 177.43 173.87 1xyd h ASN 38 N 0.00 0.20 0.00 1.15 -0.73 -1.04 -3.38 115.58 111.79 1xyd h ASN 38 Ca -0.02 -0.72 -0.29 0.00 1.87 0.00 0.00 56.30 57.14 1xyd h ASN 38 Cb 1.24 -0.07 -0.05 0.00 0.27 0.00 0.00 38.32 39.72 1xyd h ASN 38 CO 0.04 1.62 -1.99 -0.62 -0.37 0.00 0.00 177.43 176.10 1xyd n GLU 39 N -4.05 0.39 -0.53 6.67 -0.58 -0.63 -4.54 120.64 117.37 1xyd n GLU 39 Ca -0.30 0.14 -0.10 0.00 -0.42 0.00 0.00 57.16 56.49 1xyd n GLU 39 Cb 0.83 -1.21 0.06 0.00 -0.57 0.00 0.00 31.44 30.55 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 -3.53 4.80 0.08 -4.62 4.77 -1.10 -4.08 117.00 113.32 1xyd n LEU 40 Ca -0.34 -2.47 0.12 0.00 -0.03 0.00 0.00 56.01 53.30 1xyd n LEU 40 Cb 0.77 -0.73 0.19 0.00 -2.33 0.00 0.00 43.42 41.33 1xyd n LEU 40 CO 0.07 0.81 0.42 -1.28 -1.33 0.00 0.00 177.39 176.08 1xyd h SER 41 N 0.59 0.00 0.29 -1.43 0.87 -1.53 -2.32 113.55 110.02 1xyd h SER 41 Ca 0.23 -0.14 -0.32 0.00 -1.23 0.00 0.00 61.79 60.33 1xyd h SER 41 Cb 1.53 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 63.43 1xyd h SER 41 CO 0.45 0.07 -1.99 1.41 -0.53 0.00 0.00 176.83 176.24 1xyd n HIS 42 N -2.27 0.61 -0.08 2.24 8.25 -1.26 -4.38 115.22 118.33 1xyd n HIS 42 Ca 0.03 0.22 -0.10 0.00 -0.26 0.00 0.00 57.72 57.61 1xyd n HIS 42 Cb 0.46 -1.11 -0.03 0.00 1.12 0.00 0.00 29.99 30.42 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 -2.94 0.00 -2.74 4.41 3.72 -1.25 -4.95 117.46 113.70 1xyd n PHE 43 Ca -0.24 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 56.76 1xyd n PHE 43 Cb 1.09 -0.49 -0.06 0.00 -0.94 0.00 0.00 39.48 39.09 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 -7.70 4.60 0.10 4.37 2.96 -0.87 -4.95 118.68 117.19 1xyd s LEU 44 Ca -0.26 1.91 -0.36 0.00 -0.22 0.00 0.00 54.13 55.20 1xyd s LEU 44 Cb 0.05 -3.60 -0.16 0.00 0.50 0.00 0.00 46.19 42.97 1xyd s LEU 44 CO 0.37 0.09 1.36 -0.62 -1.32 0.00 0.00 176.35 176.24 1xyd n GLU 45 N 1.87 1.27 -1.54 1.98 1.02 -1.26 -4.15 120.64 119.83 1xyd n GLU 45 Ca -0.01 0.46 -0.13 0.00 -0.02 0.00 0.00 57.16 57.46 1xyd n GLU 45 Cb 0.48 -2.11 -0.10 0.00 -0.02 0.00 0.00 31.44 29.69 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 2.60 0.27 -1.67 3.49 0.28 -1.26 -4.85 120.64 119.50 1xyd n GLU 46 Ca 0.18 -1.19 -0.46 0.00 -0.16 0.00 0.00 57.16 55.53 1xyd n GLU 46 Cb 0.20 -3.55 -0.04 0.00 1.43 0.00 0.00 31.44 29.48 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 8.58 0.03 0.03 3.84 5.41 -1.26 -4.84 119.36 131.15 1xyd n ILE 47 Ca 0.42 -0.01 0.03 0.00 1.00 0.00 0.00 62.75 64.19 1xyd n ILE 47 Cb 0.44 -1.56 -0.04 0.00 -0.71 0.00 0.00 39.64 37.78 1xyd n ILE 47 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1xyd n LYS 48 N 3.58 0.86 -3.96 0.38 4.76 -1.26 -4.68 118.16 117.84 1xyd n LYS 48 Ca 0.17 -0.04 -0.29 0.00 -2.87 0.00 0.00 58.31 55.28 1xyd n LYS 48 Cb 0.29 -1.07 -0.04 0.00 -1.84 0.00 0.00 35.03 32.37 1xyd n LYS 48 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 1xyd s GLU 49 N -2.23 3.30 -0.07 1.97 -1.05 -1.26 -5.02 118.70 114.34 1xyd s GLU 49 Ca -0.01 -0.58 0.15 0.00 -0.15 0.00 0.00 54.97 54.38 1xyd s GLU 49 Cb 0.03 -2.93 -0.23 0.00 -0.44 0.00 0.00 34.13 30.57 1xyd s GLU 49 CO 0.21 0.56 0.53 0.00 0.95 0.00 0.00 175.26 177.51 1xyd n GLN 50 N -0.04 0.64 -0.42 -4.83 10.64 -1.26 -4.19 117.38 117.93 1xyd n GLN 50 Ca -0.07 0.20 0.35 0.00 -1.83 0.00 0.00 57.00 55.66 1xyd n GLN 50 Cb 0.52 -1.72 0.66 0.00 -0.86 0.00 0.00 30.24 28.85 1xyd n GLN 50 CO 0.00 0.00 0.00 0.93 -1.83 0.00 0.00 177.06 176.16 1xyd h GLU 51 N 0.00 0.13 -0.07 2.61 5.08 -1.98 1.81 114.58 122.16 1xyd h GLU 51 Ca -0.33 -0.01 -0.22 0.00 -1.00 0.00 0.00 59.36 57.80 1xyd h GLU 51 Cb 2.00 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 31.23 1xyd h GLU 51 CO 0.06 0.08 -0.85 -0.39 -1.00 0.00 0.00 179.01 176.91 1xyd h VAL 52 N 0.13 1.34 0.00 3.13 -1.51 -1.99 -0.65 116.25 116.69 1xyd h VAL 52 Ca 0.72 -2.19 -0.03 0.00 -1.23 0.00 0.00 66.70 63.98 1xyd h VAL 52 Cb 2.41 2.19 -0.00 0.00 -2.13 0.00 0.00 31.29 33.76 1xyd h VAL 52 CO -0.23 0.67 -0.13 1.62 -1.23 0.00 0.00 177.57 178.27 1xyd h VAL 53 N 0.36 0.53 0.05 7.19 3.04 0.24 0.97 116.25 128.63 1xyd h VAL 53 Ca -0.07 -0.60 -0.23 0.00 -1.01 0.00 0.00 66.70 64.79 1xyd h VAL 53 Cb 1.47 1.40 -0.00 0.00 -2.01 0.00 0.00 31.29 32.14 1xyd h VAL 53 CO 0.16 0.12 -1.03 0.44 -1.01 0.00 0.00 177.57 176.25 1xyd h ASP 54 N 0.00 0.37 0.01 3.17 3.32 0.17 -2.61 116.42 120.85 1xyd h ASP 54 Ca -0.00 -0.33 -0.02 0.00 0.02 0.00 0.00 57.03 56.69 1xyd h ASP 54 Cb 0.39 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.82 1xyd h ASP 54 CO 0.02 1.19 -0.09 0.50 -1.72 0.00 0.00 179.24 179.14 1xyd h LYS 55 N 0.12 0.04 -0.99 3.56 3.11 0.54 -3.11 116.57 119.83 1xyd h LYS 55 Ca -0.08 -0.06 0.15 0.00 -2.81 0.00 0.00 60.65 57.85 1xyd h LYS 55 Cb 1.71 0.02 -0.09 0.00 -1.00 0.00 0.00 32.23 32.86 1xyd h LYS 55 CO 0.17 0.97 0.61 -0.24 -2.81 0.00 0.00 179.45 178.15 1xyd h VAL 56 N -0.87 0.83 -0.25 2.00 3.04 0.78 0.63 116.25 122.42 1xyd h VAL 56 Ca -0.01 -0.30 0.02 0.00 -1.01 0.00 0.00 66.70 65.39 1xyd h VAL 56 Cb 1.01 -0.13 -0.01 0.00 -2.01 0.00 0.00 31.29 30.15 1xyd h VAL 56 CO 0.02 0.16 0.17 0.24 -1.01 0.00 0.00 177.57 177.14 1xyd h MET 57 N 0.88 0.25 -0.47 4.17 2.86 -1.52 0.18 114.93 121.28 1xyd h MET 57 Ca 0.53 -0.02 -0.07 0.00 -2.06 0.00 0.00 59.70 58.08 1xyd h MET 57 Cb 0.65 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.23 1xyd h MET 57 CO -0.32 0.17 -0.01 1.49 1.06 0.00 0.00 176.91 179.31 1xyd h GLU 58 N 0.26 0.78 0.05 1.72 4.22 0.35 1.66 114.58 123.62 1xyd h GLU 58 Ca 0.10 -0.21 -0.25 0.00 0.08 0.00 0.00 59.36 59.08 1xyd h GLU 58 Cb 0.08 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1xyd h GLU 58 CO -0.02 0.79 -1.19 1.15 -2.18 0.00 0.00 179.01 177.56 1xyd h THR 59 N 0.73 1.52 0.01 0.32 2.02 -0.77 -3.39 112.91 113.36 1xyd h THR 59 Ca 0.14 -3.19 -0.34 0.00 0.77 0.00 0.00 66.41 63.79 1xyd h THR 59 Cb 0.45 2.84 -0.05 0.00 -1.74 0.00 0.00 68.15 69.65 1xyd h THR 59 CO 0.02 0.90 -1.88 0.18 0.37 0.00 0.00 175.52 175.11 1xyd n LEU 60 N -3.40 2.05 -4.54 2.58 7.99 0.45 -4.81 117.00 117.33 1xyd n LEU 60 Ca -0.06 0.33 -0.41 0.00 -0.01 0.00 0.00 56.01 55.87 1xyd n LEU 60 Cb 0.99 -0.93 -0.05 0.00 -0.11 0.00 0.00 43.42 43.32 1xyd n LEU 60 CO 0.49 0.49 1.97 -0.67 -1.51 0.00 0.00 177.39 178.16 1xyd n ASP 61 N -4.19 2.26 -0.05 -1.43 2.03 0.56 -4.74 116.55 111.00 1xyd n ASP 61 Ca -0.41 -0.11 -0.22 0.00 0.52 0.00 0.00 54.79 54.57 1xyd n ASP 61 Cb 0.81 -1.44 -0.13 0.00 -0.72 0.00 0.00 41.12 39.64 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 8.75 0.67 0.00 -0.67 0.28 -1.26 -3.70 120.64 124.71 1xyd n GLU 62 Ca 0.40 0.38 0.12 0.00 -0.16 0.00 0.00 57.16 57.89 1xyd n GLU 62 Cb 0.41 -1.71 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 -3.88 0.00 -3.60 -1.84 5.68 -1.26 -4.85 116.55 106.80 1xyd n ASP 63 Ca -0.34 -0.29 -0.22 0.00 -0.50 0.00 0.00 54.79 53.44 1xyd n ASP 63 Cb 0.90 -0.19 0.07 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 0.62 -0.44 0.49 6.12 0.00 -1.24 -4.86 105.19 105.87 1xyd n GLY 64 Ca 0.13 0.18 0.12 0.00 0.00 0.00 0.00 46.02 46.45 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 -3.04 1.82 0.00 1.61 5.68 -1.26 -4.90 116.55 116.46 1xyd n ASP 65 Ca -0.13 -1.40 0.00 0.00 -0.50 0.00 0.00 54.79 52.76 1xyd n ASP 65 Cb 0.61 0.27 0.00 0.00 -1.14 0.00 0.00 41.12 40.86 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 1.36 0.76 3.52 6.12 0.00 -1.26 -4.96 105.19 110.74 1xyd n GLY 66 Ca 0.12 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 -0.23 1.78 -0.47 1.61 2.02 -1.26 -4.78 118.70 117.37 1xyd s GLU 67 Ca 0.00 -2.01 0.03 0.00 0.02 0.00 0.00 54.97 53.02 1xyd s GLU 67 Cb 0.00 -1.14 0.13 0.00 0.10 0.00 0.00 34.13 33.22 1xyd s GLU 67 CO 0.00 -0.16 0.22 0.00 0.02 0.00 0.00 175.26 175.35 1xyd n ASP 69 N 3.41 -3.00 0.14 0.00 2.03 -1.26 -3.38 116.55 114.49 1xyd n ASP 69 Ca 0.06 -0.38 -0.00 0.00 0.52 0.00 0.00 54.79 54.98 1xyd n ASP 69 Cb 0.34 -0.77 0.19 0.00 -0.72 0.00 0.00 41.12 40.17 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 -2.68 0.00 -0.13 -0.67 -5.15 -1.98 -0.08 116.94 106.25 1xyd h PHE 70 Ca -0.24 0.00 -0.21 0.00 -0.20 0.00 0.00 57.97 57.32 1xyd h PHE 70 Cb 0.77 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.94 1xyd h PHE 70 CO -2.95 0.58 -0.75 -0.56 -2.00 0.00 0.00 178.31 172.63 1xyd h GLN 71 N 0.00 0.64 0.07 6.09 -0.00 -2.00 -2.81 115.11 117.10 1xyd h GLN 71 Ca -0.01 -0.51 -0.33 0.00 -0.00 0.00 0.00 58.65 57.80 1xyd h GLN 71 Cb 1.08 0.11 -0.03 0.00 -0.00 0.00 0.00 27.48 28.63 1xyd h GLN 71 CO 0.08 1.13 -1.82 1.05 -0.00 0.00 0.00 178.83 179.27 1xyd h GLU 72 N 0.44 0.15 -0.70 0.06 4.11 -1.88 -3.21 114.58 113.55 1xyd h GLU 72 Ca -0.04 -0.26 0.13 0.00 0.07 0.00 0.00 59.36 59.26 1xyd h GLU 72 Cb 1.36 0.10 -0.09 0.00 0.50 0.00 0.00 28.75 30.61 1xyd h GLU 72 CO 0.14 0.91 0.23 0.35 0.07 0.00 0.00 179.01 180.71 1xyd h PHE 73 N 0.04 0.39 -0.48 2.06 3.57 -1.08 0.68 116.94 122.12 1xyd h PHE 73 Ca -0.34 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.19 1xyd h PHE 73 Cb 2.02 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 40.68 1xyd h PHE 73 CO 0.04 0.02 0.30 1.98 -2.23 0.00 0.00 178.31 178.42 1xyd h MET 74 N 0.36 0.64 -0.02 1.11 4.05 -1.61 0.53 114.93 119.99 1xyd h MET 74 Ca 0.38 -0.05 0.01 0.00 -0.28 0.00 0.00 59.70 59.76 1xyd h MET 74 Cb 0.59 -0.14 -0.00 0.00 -0.80 0.00 0.00 31.60 31.25 1xyd h MET 74 CO -0.42 0.45 0.43 0.00 0.23 0.00 0.00 176.91 177.60 1xyd h ALA 75 N 1.15 1.46 0.02 0.39 0.00 0.34 0.35 119.26 122.97 1xyd h ALA 75 Ca 0.17 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1xyd h ALA 75 Cb -0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1xyd h ALA 75 CO -0.03 -0.44 -0.01 0.35 0.00 0.00 0.00 179.25 179.12 1xyd h PHE 76 N 0.00 -0.03 -0.83 0.00 3.57 0.04 -2.48 116.94 117.21 1xyd h PHE 76 Ca 0.01 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.60 1xyd h PHE 76 Cb 0.86 0.01 -0.06 0.00 2.79 0.00 0.00 35.95 39.56 1xyd h PHE 76 CO 0.00 0.69 0.54 0.28 -2.23 0.00 0.00 178.31 177.59 1xyd h VAL 77 N -0.82 0.98 -0.06 1.41 2.07 -0.92 0.10 116.25 119.01 1xyd h VAL 77 Ca -0.00 -0.28 -0.08 0.00 0.82 0.00 0.00 66.70 67.16 1xyd h VAL 77 Cb 0.73 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 1xyd h VAL 77 CO 0.01 0.15 -0.32 -1.28 0.02 0.00 0.00 177.57 176.14 1xyd h SER 78 N 0.82 0.11 0.79 0.57 0.87 -1.39 1.25 113.55 116.58 1xyd h SER 78 Ca 0.38 -0.04 -0.08 0.00 -1.23 0.00 0.00 61.79 60.83 1xyd h SER 78 Cb 0.38 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.29 1xyd h SER 78 CO -0.15 0.44 -0.36 -0.03 -0.53 0.00 0.00 176.83 176.20 1xyd h MET 79 N 0.10 0.00 0.09 2.24 -1.53 -0.35 0.98 114.93 116.46 1xyd h MET 79 Ca 0.01 0.00 -0.31 0.00 -3.44 0.00 0.00 59.70 55.96 1xyd h MET 79 Cb 0.63 0.00 -0.02 0.00 -0.55 0.00 0.00 31.60 31.66 1xyd h MET 79 CO 0.05 0.36 -1.63 0.28 0.14 0.00 0.00 176.91 176.11 1xyd h VAL 80 N 0.00 1.01 -0.10 -5.77 2.07 -0.21 -3.17 116.25 110.08 1xyd h VAL 80 Ca -0.00 -2.72 -0.18 0.00 0.82 0.00 0.00 66.70 64.61 1xyd h VAL 80 Cb 0.85 2.64 -0.00 0.00 -1.52 0.00 0.00 31.29 33.26 1xyd h VAL 80 CO 0.05 0.76 -0.70 0.74 0.02 0.00 0.00 177.57 178.45 1xyd h THR 81 N 0.05 1.36 -0.67 2.57 2.02 0.19 -2.97 112.91 115.47 1xyd h THR 81 Ca -0.27 -2.05 -0.08 0.00 0.77 0.00 0.00 66.41 64.78 1xyd h THR 81 Cb 2.01 2.03 -0.03 0.00 -1.74 0.00 0.00 68.15 70.42 1xyd h THR 81 CO 0.13 0.62 0.12 0.71 0.37 0.00 0.00 175.52 177.47 1xyd h THR 82 N 0.32 1.26 -0.67 3.16 1.35 0.90 -2.10 112.91 117.14 1xyd h THR 82 Ca -0.02 -1.02 -0.06 0.00 -0.55 0.00 0.00 66.41 64.76 1xyd h THR 82 Cb 1.27 0.63 -0.03 0.00 -1.73 0.00 0.00 68.15 68.29 1xyd h THR 82 CO 0.12 0.38 0.18 0.00 -0.25 0.00 0.00 175.52 175.95 1xyd h ALA 83 N 1.05 1.06 0.00 6.62 0.00 -1.53 1.54 119.26 128.00 1xyd h ALA 83 Ca 0.20 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1xyd h ALA 83 Cb 0.42 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1xyd h ALA 83 CO 0.01 0.63 0.00 0.00 0.00 0.00 0.00 179.25 179.89 1xyd n HIS 85 N -2.72 0.00 -0.01 0.00 -0.00 -0.20 -4.14 115.22 108.15 1xyd n HIS 85 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 57.72 57.55 1xyd n HIS 85 Cb 0.20 -0.83 -0.12 0.00 -0.00 0.00 0.00 29.99 29.25 1xyd n HIS 85 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.34 177.83 1xyd h GLU 86 N 0.00 0.27 -0.58 1.57 4.81 0.23 -2.93 114.58 117.96 1xyd h GLU 86 Ca -0.47 -0.32 -0.07 0.00 -0.13 0.00 0.00 59.36 58.37 1xyd h GLU 86 Cb 1.87 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 31.33 1xyd h GLU 86 CO -0.03 1.04 0.09 0.74 -0.73 0.00 0.00 179.01 180.12 1xyd h PHE 87 N -0.36 1.02 -0.18 0.92 -1.00 -1.39 -2.15 116.94 113.79 1xyd h PHE 87 Ca -0.06 -0.14 0.00 0.00 2.81 0.00 0.00 57.97 60.57 1xyd h PHE 87 Cb 1.22 -0.28 0.00 0.00 3.61 0.00 0.00 35.95 40.50 1xyd h PHE 87 CO 0.18 0.89 0.00 1.19 -1.61 0.00 0.00 178.31 178.96 1xyd n PHE 88 N -4.32 0.61 0.00 -0.55 3.72 -1.25 -4.67 117.46 111.00 1xyd n PHE 88 Ca 0.03 -0.22 0.00 0.00 -0.05 0.00 0.00 57.45 57.21 1xyd n PHE 88 Cb 0.28 -0.20 0.00 0.00 -0.94 0.00 0.00 39.48 38.61 1xyd n PHE 88 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 1xyd n GLU 89 N 0.19 0.00 -2.11 -1.08 4.07 -0.81 -4.76 120.64 116.14 1xyd n GLU 89 Ca 0.09 0.00 -0.38 0.00 -0.06 0.00 0.00 57.16 56.80 1xyd n GLU 89 Cb 0.50 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 31.85 1xyd n GLU 89 CO 0.00 0.00 0.00 -1.58 -0.06 0.00 0.00 177.13 175.49 1xyd s HIS 90 N 0.59 1.75 -2.00 4.31 2.46 -1.26 -5.10 115.29 116.03 1xyd s HIS 90 Ca 0.00 0.66 0.30 0.00 0.47 0.00 0.00 55.06 56.50 1xyd s HIS 90 Cb 0.00 -4.16 1.80 0.00 -0.13 0.00 0.00 32.58 30.09 1xyd s HIS 90 CO 0.00 -2.26 2.13 -1.91 -2.47 0.00 0.00 174.74 170.23