#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 -0.58 -0.08 6.12 2.88 -1.26 -4.86 113.62 115.85 1xyd n SER 1 Ca 0.00 0.00 0.23 0.00 -1.33 0.00 0.00 58.87 57.77 1xyd n SER 1 Cb 0.00 -0.10 0.69 0.00 -0.75 0.00 0.00 64.21 64.06 1xyd n SER 1 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1xyd h GLU 2 N 2.89 0.02 0.00 -1.46 4.39 -2.06 2.15 114.58 120.52 1xyd h GLU 2 Ca 0.00 -0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.62 1xyd h GLU 2 Cb 0.00 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 1xyd h GLU 2 CO 0.00 0.01 -0.39 1.25 -1.16 0.00 0.00 179.01 178.72 1xyd h LEU 3 N 0.02 0.00 -0.48 1.33 5.85 -2.00 -2.76 115.31 117.27 1xyd h LEU 3 Ca 0.33 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.88 1xyd h LEU 3 Cb 1.27 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.30 1xyd h LEU 3 CO -0.01 0.39 -0.52 -0.08 -0.34 0.00 0.00 178.44 177.88 1xyd h GLU 4 N 0.00 0.64 -0.67 1.25 4.57 0.31 -2.51 114.58 118.17 1xyd h GLU 4 Ca -0.00 -0.39 -0.06 0.00 -1.18 0.00 0.00 59.36 57.72 1xyd h GLU 4 Cb 1.09 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.70 1xyd h GLU 4 CO 0.05 1.01 0.17 0.87 -1.18 0.00 0.00 179.01 179.93 1xyd h LYS 5 N 0.50 1.08 0.65 1.92 6.56 -0.95 -2.34 116.57 123.99 1xyd h LYS 5 Ca 0.02 -0.26 -0.03 0.00 -1.06 0.00 0.00 60.65 59.32 1xyd h LYS 5 Cb 1.08 -0.14 0.01 0.00 -0.57 0.00 0.00 32.23 32.60 1xyd h LYS 5 CO 0.10 0.96 -0.31 0.00 -2.06 0.00 0.00 179.45 178.14 1xyd h ALA 6 N 1.07 -0.87 -0.72 3.86 0.00 -1.30 0.36 119.26 121.66 1xyd h ALA 6 Ca 0.21 -0.21 0.13 0.00 0.00 0.00 0.00 54.91 55.04 1xyd h ALA 6 Cb 0.36 0.34 -0.05 0.00 0.00 0.00 0.00 17.79 18.44 1xyd h ALA 6 CO 0.00 -0.92 0.48 0.00 0.00 0.00 0.00 179.25 178.81 1xyd h MET 7 N -1.01 0.45 0.34 0.00 -0.00 -1.46 0.37 114.93 113.62 1xyd h MET 7 Ca -0.09 -0.03 -0.02 0.00 -0.00 0.00 0.00 59.70 59.57 1xyd h MET 7 Cb 0.71 -0.10 0.00 0.00 -0.00 0.00 0.00 31.60 32.21 1xyd h MET 7 CO 0.15 0.29 -0.16 0.28 -0.00 0.00 0.00 176.91 177.47 1xyd h VAL 8 N 0.46 0.49 -0.54 -0.10 2.07 -1.07 -1.16 116.25 116.40 1xyd h VAL 8 Ca 0.35 -0.71 0.14 0.00 0.82 0.00 0.00 66.70 67.30 1xyd h VAL 8 Cb 0.72 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 1xyd h VAL 8 CO -0.11 0.10 0.38 0.00 0.02 0.00 0.00 177.57 177.96 1xyd h ALA 9 N -0.59 2.42 -0.00 1.67 0.00 0.54 -1.87 119.26 121.43 1xyd h ALA 9 Ca -0.05 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 1xyd h ALA 9 Cb 0.52 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.34 1xyd h ALA 9 CO 0.08 -0.57 -0.48 -0.07 0.00 0.00 0.00 179.25 178.21 1xyd h LEU 10 N 0.06 0.43 -1.50 0.00 3.38 -0.18 -3.16 115.31 114.34 1xyd h LEU 10 Ca 0.26 -0.76 0.35 0.00 0.09 0.00 0.00 57.88 57.82 1xyd h LEU 10 Cb 0.93 -0.13 -0.10 0.00 0.09 0.00 0.00 40.66 41.45 1xyd h LEU 10 CO -0.02 1.14 0.79 0.40 0.09 0.00 0.00 178.44 180.84 1xyd h ILE 11 N -0.23 0.34 0.08 1.22 2.04 -0.34 2.55 117.51 123.17 1xyd h ILE 11 Ca -0.06 -0.07 -0.00 0.00 1.00 0.00 0.00 64.86 65.73 1xyd h ILE 11 Cb 1.21 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 37.40 1xyd h ILE 11 CO 0.09 0.04 -0.04 -0.78 0.00 0.00 0.00 178.15 177.46 1xyd h ASP 12 N 0.20 -0.09 0.90 1.72 1.82 -1.54 -1.27 116.42 118.15 1xyd h ASP 12 Ca 0.69 -0.50 -0.09 0.00 -0.39 0.00 0.00 57.03 56.73 1xyd h ASP 12 Cb 2.10 0.02 -0.01 0.00 0.68 0.00 0.00 39.33 42.12 1xyd h ASP 12 CO -0.28 0.51 -0.45 0.58 -1.61 0.00 0.00 179.24 177.98 1xyd h VAL 13 N -0.76 1.00 0.11 2.25 2.07 -0.89 -1.23 116.25 118.80 1xyd h VAL 13 Ca -0.01 -1.77 -0.01 0.00 0.82 0.00 0.00 66.70 65.73 1xyd h VAL 13 Cb 0.58 2.06 0.00 0.00 -1.52 0.00 0.00 31.29 32.41 1xyd h VAL 13 CO 0.02 0.44 -0.05 0.15 0.02 0.00 0.00 177.57 178.15 1xyd h PHE 14 N 0.00 -0.14 -0.08 1.57 3.57 0.43 -2.53 116.94 119.76 1xyd h PHE 14 Ca -0.00 -0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.35 1xyd h PHE 14 Cb 1.02 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.79 1xyd h PHE 14 CO 0.00 0.34 -0.57 1.25 -2.23 0.00 0.00 178.31 177.10 1xyd h HIS 15 N -0.71 0.32 -0.37 0.41 2.76 -1.26 0.26 115.15 116.56 1xyd h HIS 15 Ca -0.01 -0.12 -0.08 0.00 -2.20 0.00 0.00 60.37 57.96 1xyd h HIS 15 Cb 0.54 -0.06 -0.01 0.00 1.55 0.00 0.00 27.41 29.43 1xyd h HIS 15 CO 0.09 0.77 -0.07 0.37 -1.30 0.00 0.00 177.93 177.78 1xyd h GLN 16 N 0.19 0.70 0.00 5.26 5.75 -1.29 0.29 115.11 126.01 1xyd h GLN 16 Ca -0.00 -0.26 -0.04 0.00 -0.15 0.00 0.00 58.65 58.19 1xyd h GLN 16 Cb 1.07 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 29.57 1xyd h GLN 16 CO 0.09 0.84 -0.48 1.88 -2.65 0.00 0.00 178.83 178.52 1xyd h TYR 17 N 0.50 0.00 -0.36 3.99 -1.99 -1.45 -2.52 116.97 115.14 1xyd h TYR 17 Ca 0.09 0.00 0.10 0.00 2.00 0.00 0.00 58.73 60.93 1xyd h TYR 17 Cb 0.58 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.29 1xyd h TYR 17 CO 0.05 0.37 0.26 0.66 -0.00 0.00 0.00 178.16 179.50 1xyd h SER 18 N -1.00 0.00 -0.09 3.88 4.64 -0.62 0.43 113.55 120.79 1xyd h SER 18 Ca -0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 1xyd h SER 18 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1xyd h SER 18 CO -0.04 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.53 1xyd n GLY 19 N -1.60 0.26 0.12 -0.77 0.00 0.10 -1.76 105.19 101.54 1xyd n GLY 19 Ca 0.06 -0.47 -0.13 0.00 0.00 0.00 0.00 46.02 45.47 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 2.60 0.31 -4.78 1.61 2.43 0.34 -3.47 114.38 113.42 1xyd h ARG 20 Ca 0.00 -0.18 -0.32 0.00 -0.81 0.00 0.00 59.98 58.68 1xyd h ARG 20 Cb 0.56 0.01 -0.15 0.00 -0.42 0.00 0.00 29.97 29.98 1xyd h ARG 20 CO 0.00 0.74 -0.61 -1.21 -1.51 0.00 0.00 179.97 177.38 1xyd s GLU 21 N -4.18 1.36 0.53 0.20 2.02 -1.25 -5.10 118.70 112.28 1xyd s GLU 21 Ca -0.14 -1.73 0.00 0.00 0.02 0.00 0.00 54.97 53.11 1xyd s GLU 21 Cb 0.04 -0.05 0.00 0.00 0.10 0.00 0.00 34.13 34.23 1xyd s GLU 21 CO 0.75 -0.35 0.00 0.41 0.02 0.00 0.00 175.26 176.09 1xyd n GLY 22 N -0.41 -1.98 0.28 -1.39 0.00 -1.26 -4.31 105.19 96.13 1xyd n GLY 22 Ca 0.01 -1.71 -0.09 0.00 0.00 0.00 0.00 46.02 44.23 1xyd n GLY 22 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1xyd h ASP 23 N 0.00 -1.03 0.00 1.61 3.58 -1.91 -3.44 116.42 115.22 1xyd h ASP 23 Ca 0.00 0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.57 1xyd h ASP 23 Cb 0.00 0.40 0.00 0.00 1.72 0.00 0.00 39.33 41.45 1xyd h ASP 23 CO 0.00 -0.29 0.00 1.17 -2.88 0.00 0.00 179.24 177.24 1xyd n LYS 24 N -4.28 0.00 -2.69 0.28 0.00 -1.26 -5.01 118.16 105.20 1xyd n LYS 24 Ca -0.04 0.00 -0.08 0.00 0.00 0.00 0.00 58.31 58.19 1xyd n LYS 24 Cb 0.23 0.00 0.09 0.00 0.00 0.00 0.00 35.03 35.35 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 -1.32 -4.23 5.64 -0.00 -1.22 -3.82 115.22 110.27 1xyd n HIS 25 Ca 0.00 -2.22 -0.17 0.00 -0.00 0.00 0.00 57.72 55.33 1xyd n HIS 25 Cb 0.01 0.96 -0.13 0.00 -0.00 0.00 0.00 29.99 30.84 1xyd n HIS 25 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 1xyd s LYS 26 N -0.87 0.71 -0.20 -0.41 -0.14 -0.72 -4.68 119.74 113.43 1xyd s LYS 26 Ca 0.24 -0.64 -0.16 0.00 -1.36 0.00 0.00 55.97 54.05 1xyd s LYS 26 Cb 0.42 -0.64 -0.04 0.00 -1.68 0.00 0.00 37.83 35.88 1xyd s LYS 26 CO -0.05 0.15 0.39 -1.17 -0.76 0.00 0.00 175.35 173.92 1xyd s LEU 27 N -1.05 4.16 0.22 3.17 2.96 -1.22 -4.40 118.68 122.52 1xyd s LEU 27 Ca -0.02 0.52 0.08 0.00 -0.22 0.00 0.00 54.13 54.49 1xyd s LEU 27 Cb -0.07 -2.51 -0.04 0.00 0.50 0.00 0.00 46.19 44.07 1xyd s LEU 27 CO 0.01 -0.06 0.04 -0.54 -1.32 0.00 0.00 176.35 174.48 1xyd s LYS 28 N 1.24 2.49 0.27 1.98 1.02 -1.26 -3.03 119.74 122.46 1xyd s LYS 28 Ca 0.19 -1.19 -0.01 0.00 0.02 0.00 0.00 55.97 54.98 1xyd s LYS 28 Cb -0.15 -2.34 0.59 0.00 -0.52 0.00 0.00 37.83 35.41 1xyd s LYS 28 CO 0.08 0.41 1.69 0.87 -0.92 0.00 0.00 175.35 177.49 1xyd h LYS 29 N 2.17 0.34 0.00 1.68 1.57 -1.98 1.41 116.57 121.76 1xyd h LYS 29 Ca -0.46 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1xyd h LYS 29 Cb 1.23 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.46 1xyd h LYS 29 CO 0.60 0.23 0.38 0.77 -0.57 0.00 0.00 179.45 180.86 1xyd h SER 30 N 0.35 0.00 0.00 0.86 0.02 -1.98 0.30 113.55 113.10 1xyd h SER 30 Ca 0.49 0.00 -0.37 0.00 -0.84 0.00 0.00 61.79 61.07 1xyd h SER 30 Cb 0.87 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.34 1xyd h SER 30 CO -0.51 0.00 -2.39 -0.62 -1.14 0.00 0.00 176.83 172.16 1xyd n GLU 31 N -2.58 0.65 -0.09 3.45 1.02 0.47 -3.19 120.64 120.37 1xyd n GLU 31 Ca -0.01 0.12 -0.12 0.00 -0.02 0.00 0.00 57.16 57.13 1xyd n GLU 31 Cb 0.42 -1.49 -0.04 0.00 -0.02 0.00 0.00 31.44 30.30 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 0.57 -0.46 -4.62 6.46 0.92 2.38 115.31 120.56 1xyd h LEU 32 Ca -0.55 -0.40 -0.17 0.00 -0.12 0.00 0.00 57.88 56.65 1xyd h LEU 32 Cb 1.90 -0.16 -0.00 0.00 -0.73 0.00 0.00 40.66 41.67 1xyd h LEU 32 CO -0.07 0.83 -0.61 0.50 -0.62 0.00 0.00 178.44 178.47 1xyd h LYS 33 N 0.29 0.54 0.07 1.25 3.64 -0.77 -1.50 116.57 120.09 1xyd h LYS 33 Ca 0.06 -0.37 -0.25 0.00 -1.27 0.00 0.00 60.65 58.83 1xyd h LYS 33 Cb 0.61 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.47 1xyd h LYS 33 CO 0.04 0.99 -1.13 1.49 -2.27 0.00 0.00 179.45 178.56 1xyd h GLU 34 N 0.40 0.15 -0.13 1.90 4.81 -1.48 -2.65 114.58 117.58 1xyd h GLU 34 Ca -0.01 -0.26 -0.16 0.00 -0.13 0.00 0.00 59.36 58.81 1xyd h GLU 34 Cb 1.17 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.64 1xyd h GLU 34 CO 0.11 1.12 -0.58 1.25 -0.73 0.00 0.00 179.01 180.18 1xyd h LEU 35 N 0.04 0.47 -0.48 1.64 5.85 0.41 0.72 115.31 123.96 1xyd h LEU 35 Ca -0.08 -0.26 -0.16 0.00 0.84 0.00 0.00 57.88 58.23 1xyd h LEU 35 Cb 1.88 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.77 1xyd h LEU 35 CO 0.17 0.95 -0.43 0.40 -0.34 0.00 0.00 178.44 179.19 1xyd h ILE 36 N 0.31 1.28 0.00 4.05 2.04 -1.30 -1.51 117.51 122.39 1xyd h ILE 36 Ca -0.00 -1.61 -0.07 0.00 1.00 0.00 0.00 64.86 64.18 1xyd h ILE 36 Cb 1.11 1.50 -0.01 0.00 -0.74 0.00 0.00 36.82 38.67 1xyd h ILE 36 CO 0.10 0.52 -0.44 -1.13 0.00 0.00 0.00 178.15 177.20 1xyd h ASN 37 N 0.63 0.00 0.07 1.72 -1.24 -1.32 -0.05 115.58 115.39 1xyd h ASN 37 Ca 0.04 0.00 -0.33 0.00 0.71 0.00 0.00 56.30 56.73 1xyd h ASN 37 Cb 0.99 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 40.01 1xyd h ASN 37 CO 0.09 0.33 -1.81 0.59 -1.29 0.00 0.00 177.43 175.34 1xyd n ASN 38 N -3.14 2.02 -0.06 1.15 5.03 0.23 -4.31 115.26 116.18 1xyd n ASN 38 Ca 0.02 0.27 -0.09 0.00 0.87 0.00 0.00 54.58 55.64 1xyd n ASN 38 Cb 0.67 -0.87 -0.03 0.00 -1.02 0.00 0.00 39.78 38.53 1xyd n ASN 38 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1xyd n GLU 39 N -3.84 0.36 -0.30 3.52 -0.58 -0.59 -4.54 120.64 114.68 1xyd n GLU 39 Ca -0.34 0.15 -0.02 0.00 -0.42 0.00 0.00 57.16 56.53 1xyd n GLU 39 Cb 0.91 -1.13 0.01 0.00 -0.57 0.00 0.00 31.44 30.65 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 -4.08 4.33 0.15 -4.62 4.77 -1.09 -3.89 117.00 112.57 1xyd n LEU 40 Ca -0.16 -2.06 0.11 0.00 -0.03 0.00 0.00 56.01 53.88 1xyd n LEU 40 Cb 0.44 -0.82 0.07 0.00 -2.33 0.00 0.00 43.42 40.79 1xyd n LEU 40 CO 0.11 0.78 0.36 0.77 -1.33 0.00 0.00 177.39 178.08 1xyd h SER 41 N 0.55 0.00 0.62 -1.43 4.64 -1.18 -0.87 113.55 115.88 1xyd h SER 41 Ca 0.03 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.26 1xyd h SER 41 Cb 1.05 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.12 1xyd h SER 41 CO 0.07 0.02 -1.46 1.57 -0.87 0.00 0.00 176.83 176.17 1xyd n HIS 42 N -2.87 0.72 -0.08 4.77 -0.00 -1.25 -4.58 115.22 111.93 1xyd n HIS 42 Ca 0.02 0.23 -0.17 0.00 -0.00 0.00 0.00 57.72 57.79 1xyd n HIS 42 Cb 0.55 -0.93 -0.06 0.00 -0.00 0.00 0.00 29.99 29.55 1xyd n HIS 42 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.34 177.53 1xyd n PHE 43 N -2.69 0.00 -3.24 1.57 3.01 -1.25 -4.97 117.46 109.90 1xyd n PHE 43 Ca -0.07 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 58.00 1xyd n PHE 43 Cb 0.71 -0.60 -0.06 0.00 -0.01 0.00 0.00 39.48 39.52 1xyd n PHE 43 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1xyd s LEU 44 N -7.11 4.40 0.24 4.37 2.01 -0.33 -5.01 118.68 117.25 1xyd s LEU 44 Ca -0.25 1.09 -0.31 0.00 0.01 0.00 0.00 54.13 54.68 1xyd s LEU 44 Cb 0.09 -2.87 -0.14 0.00 0.01 0.00 0.00 46.19 43.28 1xyd s LEU 44 CO 0.32 0.09 1.36 -1.84 1.01 0.00 0.00 176.35 177.29 1xyd n GLU 45 N 2.84 1.93 -1.83 1.70 0.00 -1.26 -4.24 120.64 119.78 1xyd n GLU 45 Ca -0.07 0.69 -0.38 0.00 0.00 0.00 0.00 57.16 57.40 1xyd n GLU 45 Cb 0.51 -2.31 -0.03 0.00 0.00 0.00 0.00 31.44 29.61 1xyd n GLU 45 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 1xyd s GLU 46 N -0.55 2.44 0.17 3.44 2.12 -1.26 -4.92 118.70 120.14 1xyd s GLU 46 Ca 0.67 1.00 -0.31 0.00 0.36 0.00 0.00 54.97 56.70 1xyd s GLU 46 Cb -0.67 -4.46 -0.09 0.00 0.26 0.00 0.00 34.13 29.17 1xyd s GLU 46 CO 0.51 -2.91 1.41 0.96 -0.54 0.00 0.00 175.26 174.68 1xyd s ILE 47 N 10.28 3.06 -0.44 -3.70 -4.36 -1.26 -4.88 121.20 119.91 1xyd s ILE 47 Ca 0.81 0.81 0.18 0.00 -0.26 0.00 0.00 60.65 62.19 1xyd s ILE 47 Cb -0.15 -3.52 -0.25 0.00 1.25 0.00 0.00 42.46 39.80 1xyd s ILE 47 CO 0.24 0.09 0.59 1.17 0.24 0.00 0.00 174.94 177.27 1xyd n LYS 48 N 3.36 0.77 -5.12 0.37 4.81 -1.26 -4.92 118.16 116.17 1xyd n LYS 48 Ca 0.10 -0.09 -0.32 0.00 -0.87 0.00 0.00 58.31 57.13 1xyd n LYS 48 Cb 0.41 -1.40 -0.15 0.00 0.02 0.00 0.00 35.03 33.91 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 -3.02 2.29 0.33 1.64 8.01 -1.26 -5.01 118.70 121.68 1xyd s GLU 49 Ca -0.00 -0.83 0.26 0.00 0.01 0.00 0.00 54.97 54.41 1xyd s GLU 49 Cb 0.13 -2.19 0.87 0.00 -4.31 0.00 0.00 34.13 28.63 1xyd s GLU 49 CO 0.77 0.59 1.76 1.96 0.01 0.00 0.00 175.26 180.34 1xyd h GLN 50 N 5.43 0.00 -0.98 1.61 4.20 -1.99 -3.31 115.11 120.07 1xyd h GLN 50 Ca -0.44 0.00 0.33 0.00 0.06 0.00 0.00 58.65 58.60 1xyd h GLN 50 Cb 1.13 0.00 -0.16 0.00 0.30 0.00 0.00 27.48 28.76 1xyd h GLN 50 CO 0.48 0.00 0.47 0.93 -0.67 0.00 0.00 178.83 180.05 1xyd h GLU 51 N 0.00 0.20 0.06 1.46 5.08 -1.98 1.08 114.58 120.47 1xyd h GLU 51 Ca 0.00 -0.01 -0.27 0.00 -1.00 0.00 0.00 59.36 58.08 1xyd h GLU 51 Cb 0.64 -0.04 0.02 0.00 0.50 0.00 0.00 28.75 29.86 1xyd h GLU 51 CO 0.00 0.13 -1.11 -0.39 -1.00 0.00 0.00 179.01 176.64 1xyd h VAL 52 N 0.20 1.35 0.00 3.13 -1.51 -2.00 -1.82 116.25 115.60 1xyd h VAL 52 Ca 0.73 -2.48 -0.01 0.00 -1.23 0.00 0.00 66.70 63.70 1xyd h VAL 52 Cb 1.71 2.57 -0.00 0.00 -2.13 0.00 0.00 31.29 33.43 1xyd h VAL 52 CO -0.68 0.75 -0.04 1.62 -1.23 0.00 0.00 177.57 177.99 1xyd h VAL 53 N 0.26 0.45 0.11 7.19 3.04 0.62 0.41 116.25 128.34 1xyd h VAL 53 Ca -0.13 -0.21 -0.27 0.00 -1.01 0.00 0.00 66.70 65.07 1xyd h VAL 53 Cb 1.77 1.14 0.01 0.00 -2.01 0.00 0.00 31.29 32.20 1xyd h VAL 53 CO 0.20 0.04 -1.20 0.44 -1.01 0.00 0.00 177.57 176.04 1xyd h ASP 54 N 0.00 0.52 0.10 3.17 3.32 0.72 -2.09 116.42 122.17 1xyd h ASP 54 Ca -0.00 -0.52 -0.01 0.00 0.02 0.00 0.00 57.03 56.53 1xyd h ASP 54 Cb 0.14 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.52 1xyd h ASP 54 CO 0.01 1.38 -0.05 0.50 -1.72 0.00 0.00 179.24 179.35 1xyd h LYS 55 N 0.13 -0.13 -0.88 3.56 3.11 0.03 -1.35 116.57 121.04 1xyd h LYS 55 Ca -0.14 0.01 0.08 0.00 -2.81 0.00 0.00 60.65 57.79 1xyd h LYS 55 Cb 1.90 0.03 -0.07 0.00 -1.00 0.00 0.00 32.23 33.09 1xyd h LYS 55 CO 0.20 0.37 0.54 -0.24 -2.81 0.00 0.00 179.45 177.51 1xyd h VAL 56 N -0.76 0.99 -0.10 2.00 3.04 -0.43 0.19 116.25 121.18 1xyd h VAL 56 Ca -0.01 -0.32 -0.04 0.00 -1.01 0.00 0.00 66.70 65.32 1xyd h VAL 56 Cb 0.56 -0.03 -0.01 0.00 -2.01 0.00 0.00 31.29 29.80 1xyd h VAL 56 CO 0.02 0.17 -0.12 0.24 -1.01 0.00 0.00 177.57 176.88 1xyd h MET 57 N 0.94 0.15 -0.15 4.17 2.86 -1.36 0.23 114.93 121.76 1xyd h MET 57 Ca 0.40 -0.03 -0.06 0.00 -2.06 0.00 0.00 59.70 57.96 1xyd h MET 57 Cb 0.27 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.90 1xyd h MET 57 CO -0.21 0.28 -0.15 1.49 1.06 0.00 0.00 176.91 179.37 1xyd h GLU 58 N 0.14 0.25 0.09 1.72 4.57 0.56 0.45 114.58 122.37 1xyd h GLU 58 Ca 0.03 -0.06 -0.33 0.00 -1.18 0.00 0.00 59.36 57.82 1xyd h GLU 58 Cb 0.30 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.84 1xyd h GLU 58 CO 0.02 0.41 -1.76 1.15 -1.18 0.00 0.00 179.01 177.64 1xyd h THR 59 N 0.23 0.87 0.07 0.32 2.02 -0.87 -3.39 112.91 112.16 1xyd h THR 59 Ca 0.05 -2.59 -0.13 0.00 0.77 0.00 0.00 66.41 64.50 1xyd h THR 59 Cb 0.42 2.58 0.00 0.00 -1.74 0.00 0.00 68.15 69.41 1xyd h THR 59 CO 0.03 0.77 -0.64 -0.07 0.37 0.00 0.00 175.52 175.98 1xyd h LEU 60 N 0.05 0.24 -8.74 2.58 -0.00 -0.84 -3.43 115.31 105.17 1xyd h LEU 60 Ca -0.33 -0.92 -0.61 0.00 -0.00 0.00 0.00 57.88 56.03 1xyd h LEU 60 Cb 2.03 -0.08 -0.01 0.00 -0.00 0.00 0.00 40.66 42.60 1xyd h LEU 60 CO 0.11 1.29 1.48 -0.67 -0.00 0.00 0.00 178.44 180.66 1xyd n ASP 61 N -4.30 2.64 -0.06 -0.43 2.03 0.16 -4.77 116.55 111.81 1xyd n ASP 61 Ca -0.16 0.22 -0.22 0.00 0.52 0.00 0.00 54.79 55.16 1xyd n ASP 61 Cb 0.69 -1.42 -0.12 0.00 -0.72 0.00 0.00 41.12 39.55 1xyd n ASP 61 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1xyd n GLU 62 N 8.55 0.65 0.00 -0.67 0.00 -1.26 -3.69 120.64 124.22 1xyd n GLU 62 Ca 0.36 0.43 0.12 0.00 0.00 0.00 0.00 57.16 58.07 1xyd n GLU 62 Cb 0.36 -1.72 0.71 0.00 0.00 0.00 0.00 31.44 30.78 1xyd n GLU 62 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 1xyd n ASP 63 N -4.01 0.00 -3.73 4.31 5.75 -1.26 -4.85 116.55 112.76 1xyd n ASP 63 Ca -0.33 -0.59 -0.25 0.00 -0.01 0.00 0.00 54.79 53.62 1xyd n ASP 63 Cb 0.85 -0.08 0.05 0.00 -1.03 0.00 0.00 41.12 40.91 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 0.62 -0.42 0.53 6.12 0.00 -1.24 -4.85 105.19 105.94 1xyd n GLY 64 Ca 0.17 0.17 0.12 0.00 0.00 0.00 0.00 46.02 46.48 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 -2.98 1.96 0.00 1.61 5.75 -1.26 -4.91 116.55 116.73 1xyd n ASP 65 Ca -0.11 -1.47 0.00 0.00 -0.01 0.00 0.00 54.79 53.19 1xyd n ASP 65 Cb 0.60 0.28 0.00 0.00 -1.03 0.00 0.00 41.12 40.97 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 1.37 0.82 3.50 6.12 0.00 -1.26 -4.96 105.19 110.78 1xyd n GLY 66 Ca 0.12 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.17 1.75 -0.37 1.61 2.02 -1.26 -4.73 118.70 117.54 1xyd s GLU 67 Ca 0.00 -1.98 0.02 0.00 0.02 0.00 0.00 54.97 53.03 1xyd s GLU 67 Cb 0.00 -1.03 0.11 0.00 0.10 0.00 0.00 34.13 33.31 1xyd s GLU 67 CO 0.00 -0.18 0.12 0.00 0.02 0.00 0.00 175.26 175.22 1xyd n ASP 69 N 4.15 -1.97 0.08 0.00 2.03 -1.26 -3.43 116.55 116.14 1xyd n ASP 69 Ca 0.03 -0.17 -0.05 0.00 0.52 0.00 0.00 54.79 55.12 1xyd n ASP 69 Cb 0.39 -0.23 -0.05 0.00 -0.72 0.00 0.00 41.12 40.51 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 -2.09 0.00 -0.12 -0.67 -5.15 -1.98 -1.15 116.94 105.78 1xyd h PHE 70 Ca -0.08 0.00 -0.20 0.00 -0.20 0.00 0.00 57.97 57.49 1xyd h PHE 70 Cb 0.25 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.43 1xyd h PHE 70 CO 0.00 0.89 -0.75 -0.56 -2.00 0.00 0.00 178.31 175.89 1xyd h GLN 71 N 0.00 0.61 0.05 6.09 -0.00 -2.00 -2.97 115.11 116.89 1xyd h GLN 71 Ca -0.01 -0.50 -0.33 0.00 -0.00 0.00 0.00 58.65 57.81 1xyd h GLN 71 Cb 1.60 0.10 -0.04 0.00 -0.00 0.00 0.00 27.48 29.15 1xyd h GLN 71 CO 0.12 1.12 -1.93 -0.85 -0.00 0.00 0.00 178.83 177.29 1xyd n GLU 72 N -3.89 0.69 -0.19 0.06 0.28 -1.25 -3.43 120.64 112.90 1xyd n GLU 72 Ca -0.06 0.25 0.00 0.00 -0.16 0.00 0.00 57.16 57.19 1xyd n GLU 72 Cb 0.72 -1.72 0.10 0.00 1.43 0.00 0.00 31.44 31.98 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 0.03 0.25 -0.63 -1.84 3.57 -1.29 0.59 116.94 117.61 1xyd h PHE 73 Ca -0.38 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.18 1xyd h PHE 73 Cb 2.04 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 40.72 1xyd h PHE 73 CO 0.03 0.01 0.39 1.98 -2.23 0.00 0.00 178.31 178.49 1xyd h MET 74 N 0.30 0.76 -0.16 1.11 4.05 -1.66 0.18 114.93 119.50 1xyd h MET 74 Ca 0.31 -0.05 0.05 0.00 -0.28 0.00 0.00 59.70 59.73 1xyd h MET 74 Cb 0.43 -0.17 -0.01 0.00 -0.80 0.00 0.00 31.60 31.05 1xyd h MET 74 CO -0.37 0.50 0.46 0.00 0.23 0.00 0.00 176.91 177.74 1xyd h ALA 75 N 1.26 1.69 0.01 0.39 0.00 0.12 0.11 119.26 122.84 1xyd h ALA 75 Ca 0.25 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 1xyd h ALA 75 Cb -0.01 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1xyd h ALA 75 CO -0.09 -0.55 -0.01 0.35 0.00 0.00 0.00 179.25 178.96 1xyd h PHE 76 N 0.00 -0.02 -0.85 0.00 3.57 0.24 -0.95 116.94 118.92 1xyd h PHE 76 Ca 0.08 -0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.72 1xyd h PHE 76 Cb 1.00 0.01 -0.06 0.00 2.79 0.00 0.00 35.95 39.69 1xyd h PHE 76 CO 0.00 0.58 0.55 0.28 -2.23 0.00 0.00 178.31 177.50 1xyd h VAL 77 N -0.64 0.84 0.00 1.41 2.07 -0.79 0.37 116.25 119.50 1xyd h VAL 77 Ca -0.00 -0.22 -0.10 0.00 0.82 0.00 0.00 66.70 67.19 1xyd h VAL 77 Cb 0.61 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 1xyd h VAL 77 CO 0.00 0.12 -0.50 0.77 0.02 0.00 0.00 177.57 177.98 1xyd h SER 78 N 0.64 0.00 0.39 0.57 4.64 -1.24 0.26 113.55 118.80 1xyd h SER 78 Ca 0.42 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.58 1xyd h SER 78 Cb 0.72 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.80 1xyd h SER 78 CO -0.18 0.50 -0.70 -0.03 -0.87 0.00 0.00 176.83 175.55 1xyd h MET 79 N 0.00 0.27 0.01 4.77 -1.53 0.11 0.45 114.93 119.01 1xyd h MET 79 Ca -0.00 -0.22 -0.28 0.00 -3.44 0.00 0.00 59.70 55.76 1xyd h MET 79 Cb 0.98 0.04 -0.04 0.00 -0.55 0.00 0.00 31.60 32.03 1xyd h MET 79 CO 0.06 0.86 -1.56 -0.39 0.14 0.00 0.00 176.91 176.03 1xyd h VAL 80 N 0.18 1.04 -0.35 -5.77 -1.51 -1.19 -3.10 116.25 105.55 1xyd h VAL 80 Ca -0.02 -2.85 -0.14 0.00 -1.23 0.00 0.00 66.70 62.46 1xyd h VAL 80 Cb 1.25 2.54 -0.01 0.00 -2.13 0.00 0.00 31.29 32.94 1xyd h VAL 80 CO 0.11 0.63 -0.35 0.74 -1.23 0.00 0.00 177.57 177.47 1xyd h THR 81 N 0.01 1.28 -0.85 7.19 2.02 -0.40 -2.49 112.91 119.66 1xyd h THR 81 Ca -0.23 -1.52 -0.01 0.00 0.77 0.00 0.00 66.41 65.42 1xyd h THR 81 Cb 1.96 1.38 -0.04 0.00 -1.74 0.00 0.00 68.15 69.71 1xyd h THR 81 CO 0.10 0.50 0.49 0.71 0.37 0.00 0.00 175.52 177.69 1xyd h THR 82 N 0.68 1.24 -0.47 3.16 1.35 -0.15 -0.02 112.91 118.70 1xyd h THR 82 Ca 0.06 -0.56 -0.07 0.00 -0.55 0.00 0.00 66.41 65.30 1xyd h THR 82 Cb 0.91 0.06 -0.02 0.00 -1.73 0.00 0.00 68.15 67.37 1xyd h THR 82 CO 0.08 0.26 0.02 0.00 -0.25 0.00 0.00 175.52 175.64 1xyd h ALA 83 N 1.36 1.16 0.00 6.62 0.00 -1.42 0.36 119.26 127.34 1xyd h ALA 83 Ca 0.30 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1xyd h ALA 83 Cb -0.02 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 1xyd h ALA 83 CO -0.05 0.55 -0.12 0.00 0.00 0.00 0.00 179.25 179.62 1xyd h HIS 85 N 0.00 0.41 -0.05 0.00 6.17 -0.05 -3.27 115.15 118.36 1xyd h HIS 85 Ca -0.00 -0.30 -0.20 0.00 0.71 0.00 0.00 60.37 60.57 1xyd h HIS 85 Cb 0.79 -0.02 -0.00 0.00 2.52 0.00 0.00 27.41 30.70 1xyd h HIS 85 CO 0.00 1.62 -0.81 1.49 0.71 0.00 0.00 177.93 180.93 1xyd h GLU 86 N 0.06 0.42 0.01 5.26 4.81 -0.31 -1.24 114.58 123.59 1xyd h GLU 86 Ca -0.38 -0.39 -0.00 0.00 -0.13 0.00 0.00 59.36 58.46 1xyd h GLU 86 Cb 2.04 0.09 0.00 0.00 0.63 0.00 0.00 28.75 31.51 1xyd h GLU 86 CO 0.10 1.04 -0.01 0.35 -0.73 0.00 0.00 179.01 179.76 1xyd h PHE 87 N 0.27 -0.02 -0.15 0.92 3.57 -1.41 0.30 116.94 120.43 1xyd h PHE 87 Ca -0.05 -0.00 -0.15 0.00 3.53 0.00 0.00 57.97 61.30 1xyd h PHE 87 Cb 1.41 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 40.15 1xyd h PHE 87 CO 0.05 0.01 -0.53 0.35 -2.23 0.00 0.00 178.31 175.96 1xyd h PHE 88 N -0.04 0.52 -0.89 0.41 3.57 -1.61 -3.02 116.94 115.89 1xyd h PHE 88 Ca -0.00 -0.18 -0.54 0.00 3.53 0.00 0.00 57.97 60.78 1xyd h PHE 88 Cb 0.04 -0.10 -0.27 0.00 2.79 0.00 0.00 35.95 38.41 1xyd h PHE 88 CO -0.07 0.86 0.69 0.39 -2.23 0.00 0.00 178.31 177.95 1xyd n GLU 89 N -3.95 2.32 -2.01 1.11 1.02 -0.47 -4.92 120.64 113.74 1xyd n GLU 89 Ca -0.03 -2.81 -0.38 0.00 -0.02 0.00 0.00 57.16 53.92 1xyd n GLU 89 Cb 0.58 -2.10 -0.03 0.00 -0.02 0.00 0.00 31.44 29.87 1xyd n GLU 89 CO 0.00 0.00 0.00 -3.38 1.18 0.00 0.00 177.13 174.93 1xyd s HIS 90 N -3.19 1.63 -2.00 -0.32 -3.43 0.07 -4.88 115.29 103.16 1xyd s HIS 90 Ca 0.55 0.83 0.14 0.00 -0.80 0.00 0.00 55.06 55.78 1xyd s HIS 90 Cb 0.44 -4.06 0.84 0.00 -1.43 0.00 0.00 32.58 28.37 1xyd s HIS 90 CO 0.04 -2.35 1.26 -1.91 -2.00 0.00 0.00 174.74 169.78