#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xyd s SER 1 N 0.00 6.51 0.45 7.83 1.04 -1.26 -4.76 113.70 123.51 1xyd s SER 1 Ca 0.00 -2.15 0.20 0.00 0.48 0.00 0.00 55.95 54.48 1xyd s SER 1 Cb 0.00 -2.58 1.17 0.00 0.10 0.00 0.00 66.02 64.71 1xyd s SER 1 CO 0.00 -1.51 1.90 -0.33 0.98 0.00 0.00 173.24 174.28 1xyd h GLU 2 N 8.29 0.29 0.00 4.02 3.07 -2.06 0.47 114.58 128.67 1xyd h GLU 2 Ca 0.37 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 59.19 1xyd h GLU 2 Cb 0.90 -0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 28.74 1xyd h GLU 2 CO 1.42 0.19 -0.11 -0.07 -1.40 0.00 0.00 179.01 179.04 1xyd h LEU 3 N 0.30 0.00 -0.26 1.33 -0.00 -2.01 -2.90 115.31 111.78 1xyd h LEU 3 Ca 0.40 0.00 -0.21 0.00 -0.00 0.00 0.00 57.88 58.07 1xyd h LEU 3 Cb 1.10 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.75 1xyd h LEU 3 CO -0.11 0.11 -0.89 -0.08 -0.00 0.00 0.00 178.44 177.47 1xyd h GLU 4 N 0.00 0.27 -0.18 1.13 4.81 -0.43 -2.51 114.58 117.68 1xyd h GLU 4 Ca -0.00 -0.29 -0.08 0.00 -0.13 0.00 0.00 59.36 58.86 1xyd h GLU 4 Cb 0.68 0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.15 1xyd h GLU 4 CO 0.01 1.00 -0.19 0.87 -0.73 0.00 0.00 179.01 179.97 1xyd h LYS 5 N 0.16 0.44 0.48 1.92 1.57 -1.32 -2.63 116.57 117.18 1xyd h LYS 5 Ca -0.05 -0.24 -0.02 0.00 -1.87 0.00 0.00 60.65 58.46 1xyd h LYS 5 Cb 1.52 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.84 1xyd h LYS 5 CO 0.14 0.81 -0.23 0.00 -0.57 0.00 0.00 179.45 179.60 1xyd h ALA 6 N 0.62 -0.65 -1.00 3.86 0.00 -1.56 0.18 119.26 120.71 1xyd h ALA 6 Ca 0.03 -0.17 0.21 0.00 0.00 0.00 0.00 54.91 54.98 1xyd h ALA 6 Cb 0.74 0.25 -0.11 0.00 0.00 0.00 0.00 17.79 18.67 1xyd h ALA 6 CO 0.05 -0.81 0.61 0.52 0.00 0.00 0.00 179.25 179.62 1xyd h MET 7 N -0.76 0.68 -0.13 0.00 2.86 -1.52 0.97 114.93 117.03 1xyd h MET 7 Ca -0.07 -0.04 -0.15 0.00 -2.06 0.00 0.00 59.70 57.38 1xyd h MET 7 Cb 0.55 -0.15 0.01 0.00 0.06 0.00 0.00 31.60 32.06 1xyd h MET 7 CO 0.11 0.45 -0.52 0.28 1.06 0.00 0.00 176.91 178.29 1xyd h VAL 8 N 0.70 1.34 -0.62 -2.22 2.07 -1.14 -1.48 116.25 114.90 1xyd h VAL 8 Ca 0.60 -1.80 0.01 0.00 0.82 0.00 0.00 66.70 66.33 1xyd h VAL 8 Cb 1.01 2.09 -0.03 0.00 -1.52 0.00 0.00 31.29 32.83 1xyd h VAL 8 CO -0.41 0.55 0.41 0.00 0.02 0.00 0.00 177.57 178.14 1xyd h ALA 9 N 0.51 1.57 0.05 1.67 0.00 0.12 -3.06 119.26 120.13 1xyd h ALA 9 Ca -0.03 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 1xyd h ALA 9 Cb 1.15 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.70 1xyd h ALA 9 CO 0.11 0.40 -0.33 -0.07 0.00 0.00 0.00 179.25 179.36 1xyd h LEU 10 N 0.83 0.17 -1.82 0.00 4.07 -0.85 -3.18 115.31 114.54 1xyd h LEU 10 Ca 0.23 -0.98 0.38 0.00 0.08 0.00 0.00 57.88 57.59 1xyd h LEU 10 Cb -0.08 -0.06 -0.05 0.00 1.08 0.00 0.00 40.66 41.55 1xyd h LEU 10 CO -0.05 1.16 1.05 0.40 -1.08 0.00 0.00 178.44 179.91 1xyd h ILE 11 N -0.77 0.20 0.00 1.22 2.04 -1.17 2.83 117.51 121.87 1xyd h ILE 11 Ca -0.06 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.80 1xyd h ILE 11 Cb 1.25 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 37.57 1xyd h ILE 11 CO 0.05 0.00 -0.00 0.44 0.00 0.00 0.00 178.15 178.64 1xyd h ASP 12 N 0.00 -0.00 0.98 1.72 5.19 -1.60 -2.50 116.42 120.21 1xyd h ASP 12 Ca 0.62 -0.87 -0.09 0.00 -0.62 0.00 0.00 57.03 56.07 1xyd h ASP 12 Cb 2.71 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 42.20 1xyd h ASP 12 CO -0.01 0.93 -0.44 0.58 -3.12 0.00 0.00 179.24 177.18 1xyd h VAL 13 N -0.99 0.94 -0.12 -1.35 2.07 -0.50 -1.53 116.25 114.76 1xyd h VAL 13 Ca -0.00 -1.78 -0.09 0.00 0.82 0.00 0.00 66.70 65.65 1xyd h VAL 13 Cb 0.87 2.08 0.00 0.00 -1.52 0.00 0.00 31.29 32.72 1xyd h VAL 13 CO 0.00 0.43 -0.27 0.15 0.02 0.00 0.00 177.57 177.90 1xyd h PHE 14 N 0.00 0.51 0.07 1.57 3.57 0.47 -2.38 116.94 120.75 1xyd h PHE 14 Ca -0.00 -0.19 -0.25 0.00 3.53 0.00 0.00 57.97 61.06 1xyd h PHE 14 Cb 1.05 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.70 1xyd h PHE 14 CO 0.00 0.89 -1.09 1.25 -2.23 0.00 0.00 178.31 177.13 1xyd h HIS 15 N -0.01 0.51 -0.49 0.41 2.76 -1.44 -0.70 115.15 116.19 1xyd h HIS 15 Ca 0.00 -0.33 -0.12 0.00 -2.20 0.00 0.00 60.37 57.72 1xyd h HIS 15 Cb 0.87 -0.04 -0.01 0.00 1.55 0.00 0.00 27.41 29.78 1xyd h HIS 15 CO 0.11 1.20 -0.17 1.96 -1.30 0.00 0.00 177.93 179.72 1xyd h GLN 16 N 0.14 0.98 0.00 5.26 4.20 -1.35 -0.04 115.11 124.30 1xyd h GLN 16 Ca -0.10 -0.40 -0.05 0.00 0.06 0.00 0.00 58.65 58.16 1xyd h GLN 16 Cb 1.77 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 29.50 1xyd h GLN 16 CO 0.18 1.07 -0.55 1.88 -0.67 0.00 0.00 178.83 180.74 1xyd h TYR 17 N 0.83 0.00 -0.10 2.96 -1.99 -1.51 -1.74 116.97 115.41 1xyd h TYR 17 Ca 0.12 0.00 0.03 0.00 2.00 0.00 0.00 58.73 60.88 1xyd h TYR 17 Cb 0.75 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.47 1xyd h TYR 17 CO 0.05 0.39 0.35 1.03 -0.00 0.00 0.00 178.16 179.99 1xyd h SER 18 N -1.00 0.00 -0.12 3.88 0.87 -1.26 1.06 113.55 116.99 1xyd h SER 18 Ca -0.08 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.48 1xyd h SER 18 Cb 0.62 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.58 1xyd h SER 18 CO -0.05 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 176.86 1xyd n GLY 19 N -1.29 1.09 0.30 5.77 0.00 -0.03 0.79 105.19 111.82 1xyd n GLY 19 Ca 0.00 -0.67 -0.03 0.00 0.00 0.00 0.00 46.02 45.33 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 4.41 0.94 -3.73 1.61 2.43 0.22 -3.46 114.38 116.80 1xyd h ARG 20 Ca 0.00 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 59.04 1xyd h ARG 20 Cb 0.95 -0.21 -0.09 0.00 -0.42 0.00 0.00 29.97 30.19 1xyd h ARG 20 CO 0.00 0.62 -0.16 -1.83 -1.51 0.00 0.00 179.97 177.10 1xyd s GLU 21 N -6.11 1.53 0.56 0.20 -1.05 -1.26 -5.09 118.70 107.48 1xyd s GLU 21 Ca -0.13 -1.29 0.00 0.00 -0.15 0.00 0.00 54.97 53.40 1xyd s GLU 21 Cb 0.16 0.46 0.00 0.00 -0.44 0.00 0.00 34.13 34.31 1xyd s GLU 21 CO 0.78 -0.63 0.00 0.41 0.95 0.00 0.00 175.26 176.77 1xyd n GLY 22 N -0.38 -1.79 0.02 -3.83 0.00 -1.26 -4.49 105.19 93.46 1xyd n GLY 22 Ca -0.01 -1.80 -0.01 0.00 0.00 0.00 0.00 46.02 44.20 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 -0.07 0.00 1.61 3.58 -1.94 -3.45 116.42 116.15 1xyd h ASP 23 Ca 0.00 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.46 1xyd h ASP 23 Cb 0.00 0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.08 1xyd h ASP 23 CO 0.00 -0.03 0.00 1.17 -2.88 0.00 0.00 179.24 177.50 1xyd n LYS 24 N -2.59 0.00 -2.73 0.28 4.81 -1.26 -5.03 118.16 111.64 1xyd n LYS 24 Ca -0.00 0.00 -0.07 0.00 -0.87 0.00 0.00 58.31 57.36 1xyd n LYS 24 Cb 0.02 0.00 0.06 0.00 0.02 0.00 0.00 35.03 35.13 1xyd n LYS 24 CO 0.00 0.00 0.00 -2.39 1.17 0.00 0.00 177.40 176.18 1xyd n HIS 25 N 0.00 -2.71 -4.16 5.64 1.44 -1.10 -3.62 115.22 110.71 1xyd n HIS 25 Ca 0.00 -1.59 -0.16 0.00 -2.01 0.00 0.00 57.72 53.96 1xyd n HIS 25 Cb 0.02 1.49 -0.14 0.00 0.12 0.00 0.00 29.99 31.47 1xyd n HIS 25 CO 0.00 0.00 0.00 0.21 -2.81 0.00 0.00 176.34 173.74 1xyd s LYS 26 N 0.51 0.46 -0.27 -1.40 2.47 0.24 -4.85 119.74 116.90 1xyd s LYS 26 Ca 0.29 -0.27 -0.18 0.00 -1.56 0.00 0.00 55.97 54.25 1xyd s LYS 26 Cb 0.24 -0.41 -0.02 0.00 -1.46 0.00 0.00 37.83 36.17 1xyd s LYS 26 CO -0.19 0.11 0.51 -1.17 0.16 0.00 0.00 175.35 174.77 1xyd s LEU 27 N -0.33 4.08 0.11 5.43 0.20 -1.22 -4.32 118.68 122.62 1xyd s LEU 27 Ca 0.00 0.46 0.05 0.00 0.69 0.00 0.00 54.13 55.34 1xyd s LEU 27 Cb -0.03 -2.65 -0.04 0.00 -0.43 0.00 0.00 46.19 43.03 1xyd s LEU 27 CO -0.00 -0.31 0.02 -0.54 -0.29 0.00 0.00 176.35 175.23 1xyd s LYS 28 N 2.32 2.57 0.24 1.98 1.02 -1.26 -2.95 119.74 123.67 1xyd s LYS 28 Ca 0.21 -0.89 -0.12 0.00 0.02 0.00 0.00 55.97 55.19 1xyd s LYS 28 Cb -0.16 -2.52 0.33 0.00 -0.52 0.00 0.00 37.83 34.96 1xyd s LYS 28 CO 0.10 0.52 1.59 -0.22 -0.92 0.00 0.00 175.35 176.41 1xyd h LYS 29 N 3.18 -0.02 0.00 1.68 3.64 -1.97 1.81 116.57 124.90 1xyd h LYS 29 Ca -0.47 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1xyd h LYS 29 Cb 1.18 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 1xyd h LYS 29 CO 0.60 -0.01 0.30 0.43 -2.27 0.00 0.00 179.45 178.50 1xyd n SER 30 N -5.52 0.16 -0.11 4.20 7.64 -1.26 0.29 113.62 119.00 1xyd n SER 30 Ca 0.11 0.39 -0.17 0.00 1.01 0.00 0.00 58.87 60.21 1xyd n SER 30 Cb 0.41 -0.35 -0.13 0.00 -1.01 0.00 0.00 64.21 63.13 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 -1.66 0.66 0.35 1.43 1.02 0.61 -3.25 120.64 119.81 1xyd n GLU 31 Ca -0.00 0.15 -0.14 0.00 -0.02 0.00 0.00 57.16 57.14 1xyd n GLU 31 Cb 0.31 -1.54 -0.07 0.00 -0.02 0.00 0.00 31.44 30.13 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 0.01 -0.78 -1.46 -4.62 6.46 0.39 1.74 115.31 117.05 1xyd h LEU 32 Ca -0.56 0.03 0.02 0.00 -0.12 0.00 0.00 57.88 57.24 1xyd h LEU 32 Cb 1.94 0.20 -0.03 0.00 -0.73 0.00 0.00 40.66 42.05 1xyd h LEU 32 CO -0.06 -0.47 0.38 0.50 -0.62 0.00 0.00 178.44 178.17 1xyd h LYS 33 N -1.10 0.71 0.02 1.25 3.64 -1.53 0.30 116.57 119.85 1xyd h LYS 33 Ca -0.09 -0.04 -0.21 0.00 -1.27 0.00 0.00 60.65 59.03 1xyd h LYS 33 Cb 0.71 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 1xyd h LYS 33 CO 0.15 0.47 -0.93 1.49 -2.27 0.00 0.00 179.45 178.36 1xyd h GLU 34 N 0.73 0.23 -0.03 1.90 4.81 -1.50 -2.84 114.58 117.88 1xyd h GLU 34 Ca 0.22 -0.27 -0.16 0.00 -0.13 0.00 0.00 59.36 59.01 1xyd h GLU 34 Cb -0.02 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 1xyd h GLU 34 CO -0.05 1.01 -0.72 1.25 -0.73 0.00 0.00 179.01 179.77 1xyd h LEU 35 N 0.12 0.22 -0.49 1.64 5.85 0.36 -1.69 115.31 121.31 1xyd h LEU 35 Ca -0.06 -0.15 -0.07 0.00 0.84 0.00 0.00 57.88 58.44 1xyd h LEU 35 Cb 1.58 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.53 1xyd h LEU 35 CO 0.15 0.86 0.02 0.40 -0.34 0.00 0.00 178.44 179.53 1xyd h ILE 36 N 0.12 1.26 0.00 4.05 1.08 -0.41 -1.92 117.51 121.69 1xyd h ILE 36 Ca -0.02 -1.04 -0.05 0.00 -0.39 0.00 0.00 64.86 63.37 1xyd h ILE 36 Cb 1.28 0.96 -0.01 0.00 -3.07 0.00 0.00 36.82 35.98 1xyd h ILE 36 CO 0.11 0.36 -0.29 0.78 -0.69 0.00 0.00 178.15 178.42 1xyd h ASN 37 N 0.71 0.00 0.45 1.72 4.21 -1.45 -0.27 115.58 120.95 1xyd h ASN 37 Ca 0.14 0.00 -0.11 0.00 1.21 0.00 0.00 56.30 57.54 1xyd h ASN 37 Cb 0.48 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.66 1xyd h ASN 37 CO 0.02 0.22 -1.64 0.59 -1.29 0.00 0.00 177.43 175.33 1xyd n ASN 38 N -3.12 0.47 0.00 5.81 5.03 -0.64 -4.40 115.26 118.41 1xyd n ASN 38 Ca 0.03 0.20 0.00 0.00 0.87 0.00 0.00 54.58 55.67 1xyd n ASN 38 Cb 0.62 0.91 0.00 0.00 -1.02 0.00 0.00 39.78 40.29 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 -2.63 0.00 -0.19 3.52 1.02 -0.74 -4.75 120.64 116.88 1xyd n GLU 39 Ca -0.09 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.02 1xyd n GLU 39 Cb 0.74 -0.24 0.04 0.00 -0.02 0.00 0.00 31.44 31.96 1xyd n GLU 39 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1xyd n LEU 40 N -2.76 3.28 0.14 -4.62 4.77 -1.09 -3.92 117.00 112.81 1xyd n LEU 40 Ca 0.00 -1.67 0.12 0.00 -0.03 0.00 0.00 56.01 54.43 1xyd n LEU 40 Cb 0.23 -0.55 0.26 0.00 -2.33 0.00 0.00 43.42 41.03 1xyd n LEU 40 CO 0.00 0.54 0.74 -1.28 -1.33 0.00 0.00 177.39 176.06 1xyd h SER 41 N 0.26 0.00 0.15 -1.43 0.87 -1.24 0.29 113.55 112.45 1xyd h SER 41 Ca 0.09 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 1xyd h SER 41 Cb 1.20 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 1xyd h SER 41 CO 0.16 0.01 -1.49 1.41 -0.53 0.00 0.00 176.83 176.39 1xyd n HIS 42 N -2.59 0.12 -0.04 2.24 8.25 -1.25 -4.47 115.22 117.47 1xyd n HIS 42 Ca 0.04 0.03 -0.05 0.00 -0.26 0.00 0.00 57.72 57.49 1xyd n HIS 42 Cb 0.48 -0.40 -0.06 0.00 1.12 0.00 0.00 29.99 31.13 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 -2.04 0.00 -4.05 4.41 3.01 -1.22 -4.97 117.46 112.59 1xyd n PHE 43 Ca -0.01 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 58.11 1xyd n PHE 43 Cb 0.48 -0.39 -0.09 0.00 -0.01 0.00 0.00 39.48 39.47 1xyd n PHE 43 CO 0.00 0.00 0.00 -1.17 1.01 0.00 0.00 176.76 176.60 1xyd s LEU 44 N -4.94 3.84 0.21 4.37 1.98 0.10 -5.05 118.68 119.19 1xyd s LEU 44 Ca -0.07 0.14 -0.32 0.00 -2.89 0.00 0.00 54.13 50.99 1xyd s LEU 44 Cb 0.03 -1.95 -0.15 0.00 0.66 0.00 0.00 46.19 44.78 1xyd s LEU 44 CO 0.29 0.24 1.17 -0.62 -1.89 0.00 0.00 176.35 175.54 1xyd n GLU 45 N 3.13 1.34 -1.52 1.98 4.71 -1.26 -4.35 120.64 124.67 1xyd n GLU 45 Ca -0.17 0.48 -0.20 0.00 -0.01 0.00 0.00 57.16 57.26 1xyd n GLU 45 Cb 0.53 -1.98 -0.17 0.00 -1.01 0.00 0.00 31.44 28.81 1xyd n GLU 45 CO 0.00 0.00 0.00 -0.85 0.09 0.00 0.00 177.13 176.37 1xyd n GLU 46 N 1.60 0.20 -2.16 3.49 0.28 -1.26 -4.82 120.64 117.97 1xyd n GLU 46 Ca 0.13 -0.28 -0.42 0.00 -0.16 0.00 0.00 57.16 56.43 1xyd n GLU 46 Cb 0.27 -1.93 -0.03 0.00 1.43 0.00 0.00 31.44 31.18 1xyd n GLU 46 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1xyd s ILE 47 N 5.28 3.64 0.00 3.84 1.01 -1.26 -4.83 121.20 128.89 1xyd s ILE 47 Ca 1.19 0.97 0.00 0.00 0.00 0.00 0.00 60.65 62.81 1xyd s ILE 47 Cb -0.62 -3.63 0.00 0.00 0.01 0.00 0.00 42.46 38.23 1xyd s ILE 47 CO 0.40 -0.03 0.00 2.29 0.00 0.00 0.00 174.94 177.61 1xyd n LYS 48 N 5.84 3.42 -4.29 2.79 2.85 -1.26 -4.80 118.16 122.71 1xyd n LYS 48 Ca 0.14 0.00 -0.35 0.00 -1.05 0.00 0.00 58.31 57.05 1xyd n LYS 48 Cb 0.43 -0.75 -0.09 0.00 -0.65 0.00 0.00 35.03 33.97 1xyd n LYS 48 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 1xyd s GLU 49 N -1.50 3.10 0.33 -1.58 0.41 -1.26 -4.99 118.70 113.21 1xyd s GLU 49 Ca 0.00 -0.37 0.18 0.00 -0.41 0.00 0.00 54.97 54.37 1xyd s GLU 49 Cb 0.00 -2.87 0.18 0.00 -1.78 0.00 0.00 34.13 29.66 1xyd s GLU 49 CO 0.00 0.69 1.51 -0.56 -0.49 0.00 0.00 175.26 176.41 1xyd h GLN 50 N 5.22 0.00 -1.07 1.61 3.07 -1.99 -3.31 115.11 118.63 1xyd h GLN 50 Ca -0.50 0.00 0.33 0.00 0.09 0.00 0.00 58.65 58.57 1xyd h GLN 50 Cb 1.20 0.00 -0.13 0.00 0.08 0.00 0.00 27.48 28.62 1xyd h GLN 50 CO 0.56 0.34 0.65 0.93 0.09 0.00 0.00 178.83 181.39 1xyd h GLU 51 N 0.00 0.29 -0.05 0.06 5.08 -1.98 1.28 114.58 119.27 1xyd h GLU 51 Ca -0.00 -0.02 -0.24 0.00 -1.00 0.00 0.00 59.36 58.10 1xyd h GLU 51 Cb 1.24 -0.07 0.01 0.00 0.50 0.00 0.00 28.75 30.44 1xyd h GLU 51 CO 0.04 0.19 -0.92 -0.39 -1.00 0.00 0.00 179.01 176.94 1xyd h VAL 52 N 0.30 1.32 0.00 3.13 -1.51 -1.99 -0.68 116.25 116.81 1xyd h VAL 52 Ca 0.72 -2.21 -0.02 0.00 -1.23 0.00 0.00 66.70 63.97 1xyd h VAL 52 Cb 1.81 2.25 -0.00 0.00 -2.13 0.00 0.00 31.29 33.22 1xyd h VAL 52 CO -0.51 0.68 -0.08 1.62 -1.23 0.00 0.00 177.57 178.05 1xyd h VAL 53 N 0.38 0.55 0.08 7.19 3.04 0.98 0.82 116.25 129.30 1xyd h VAL 53 Ca -0.09 -0.38 -0.26 0.00 -1.01 0.00 0.00 66.70 64.97 1xyd h VAL 53 Cb 1.55 1.25 0.01 0.00 -2.01 0.00 0.00 31.29 32.09 1xyd h VAL 53 CO 0.18 0.08 -1.11 -0.78 -1.01 0.00 0.00 177.57 174.92 1xyd h ASP 54 N 0.00 0.51 0.01 3.17 1.82 0.15 -2.47 116.42 119.61 1xyd h ASP 54 Ca -0.00 -0.48 -0.00 0.00 -0.39 0.00 0.00 57.03 56.16 1xyd h ASP 54 Cb 0.24 -0.16 0.00 0.00 0.68 0.00 0.00 39.33 40.09 1xyd h ASP 54 CO 0.01 1.32 -0.00 0.50 -1.61 0.00 0.00 179.24 179.46 1xyd h LYS 55 N 0.16 -0.01 -0.94 0.28 3.64 0.57 -2.28 116.57 117.99 1xyd h LYS 55 Ca -0.12 0.00 0.14 0.00 -1.27 0.00 0.00 60.65 59.40 1xyd h LYS 55 Cb 1.79 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 33.52 1xyd h LYS 55 CO 0.19 0.81 0.55 -0.24 -2.27 0.00 0.00 179.45 178.49 1xyd h VAL 56 N -0.86 0.81 -0.27 2.00 3.04 0.45 0.37 116.25 121.79 1xyd h VAL 56 Ca -0.00 -0.28 -0.06 0.00 -1.01 0.00 0.00 66.70 65.35 1xyd h VAL 56 Cb 0.82 -0.07 -0.02 0.00 -2.01 0.00 0.00 31.29 30.02 1xyd h VAL 56 CO 0.00 0.15 -0.09 0.24 -1.01 0.00 0.00 177.57 176.86 1xyd h MET 57 N 0.81 0.44 -0.48 4.17 2.86 -1.46 0.03 114.93 121.29 1xyd h MET 57 Ca 0.50 -0.11 -0.06 0.00 -2.06 0.00 0.00 59.70 57.97 1xyd h MET 57 Cb 0.62 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.20 1xyd h MET 57 CO -0.32 0.54 0.06 0.93 1.06 0.00 0.00 176.91 179.18 1xyd h GLU 58 N 0.41 0.76 0.03 1.72 4.39 0.31 1.78 114.58 123.99 1xyd h GLU 58 Ca 0.08 -0.17 -0.23 0.00 0.34 0.00 0.00 59.36 59.38 1xyd h GLU 58 Cb 0.42 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.94 1xyd h GLU 58 CO 0.02 0.73 -1.09 1.15 -1.16 0.00 0.00 179.01 178.67 1xyd h THR 59 N 0.72 1.63 0.07 1.13 2.02 -0.79 -3.37 112.91 114.33 1xyd h THR 59 Ca 0.15 -3.31 -0.33 0.00 0.77 0.00 0.00 66.41 63.69 1xyd h THR 59 Cb 0.36 2.85 -0.03 0.00 -1.74 0.00 0.00 68.15 69.59 1xyd h THR 59 CO 0.01 0.94 -1.83 0.18 0.37 0.00 0.00 175.52 175.19 1xyd n LEU 60 N -3.38 2.39 -4.54 2.58 7.99 -0.05 -4.83 117.00 117.16 1xyd n LEU 60 Ca -0.03 0.26 -0.47 0.00 -0.01 0.00 0.00 56.01 55.76 1xyd n LEU 60 Cb 0.96 -1.05 -0.05 0.00 -0.11 0.00 0.00 43.42 43.18 1xyd n LEU 60 CO 0.48 0.67 1.77 0.47 -1.51 0.00 0.00 177.39 179.28 1xyd n ASP 61 N -3.80 2.77 0.01 -1.43 9.92 0.60 -4.79 116.55 119.84 1xyd n ASP 61 Ca -0.34 0.42 -0.22 0.00 -0.53 0.00 0.00 54.79 54.12 1xyd n ASP 61 Cb 0.92 -1.39 -0.14 0.00 -0.64 0.00 0.00 41.12 39.87 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 12.91 0.25 -0.00 -1.24 4.22 -1.88 -3.27 114.58 125.58 1xyd h GLU 62 Ca -0.36 -0.43 0.00 0.00 0.08 0.00 0.00 59.36 58.65 1xyd h GLU 62 Cb 1.28 0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.69 1xyd h GLU 62 CO 0.99 1.20 -0.02 -0.40 -2.18 0.00 0.00 179.01 178.60 1xyd n ASP 63 N -3.85 0.40 -3.70 1.04 5.68 -1.26 -4.88 116.55 109.97 1xyd n ASP 63 Ca -0.26 -0.91 -0.25 0.00 -0.50 0.00 0.00 54.79 52.86 1xyd n ASP 63 Cb 0.93 -0.05 0.06 0.00 -1.14 0.00 0.00 41.12 40.92 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 1.13 -0.47 0.30 6.12 0.00 -1.23 -4.85 105.19 106.19 1xyd n GLY 64 Ca 0.20 0.20 0.12 0.00 0.00 0.00 0.00 46.02 46.54 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 1.27 0.00 1.61 5.75 -1.26 -4.90 116.55 116.05 1xyd n ASP 65 Ca -0.06 -1.04 0.00 0.00 -0.01 0.00 0.00 54.79 53.68 1xyd n ASP 65 Cb 0.58 0.24 0.00 0.00 -1.03 0.00 0.00 41.12 40.91 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 0.60 3.37 6.12 0.00 -1.26 -4.95 105.19 110.44 1xyd n GLY 66 Ca 0.11 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.41 1.40 -0.31 1.61 2.02 -1.26 -4.64 118.70 117.11 1xyd s GLU 67 Ca 0.00 -1.68 0.01 0.00 0.02 0.00 0.00 54.97 53.32 1xyd s GLU 67 Cb 0.00 -0.99 0.09 0.00 0.10 0.00 0.00 34.13 33.34 1xyd s GLU 67 CO 0.00 0.05 0.06 0.00 0.02 0.00 0.00 175.26 175.40 1xyd n ASP 69 N 4.64 -1.48 0.08 0.00 -0.08 -1.26 -3.45 116.55 115.01 1xyd n ASP 69 Ca -0.01 0.00 -0.11 0.00 -1.51 0.00 0.00 54.79 53.16 1xyd n ASP 69 Cb 0.42 0.00 -0.09 0.00 2.34 0.00 0.00 41.12 43.79 1xyd n ASP 69 CO 0.00 0.00 0.00 2.19 0.12 0.00 0.00 177.20 179.51 1xyd h PHE 70 N -1.72 0.29 -0.36 -0.67 -0.00 -1.98 -0.05 116.94 112.45 1xyd h PHE 70 Ca 0.00 -0.19 -0.15 0.00 -0.00 0.00 0.00 57.97 57.63 1xyd h PHE 70 Cb 0.00 -0.02 -0.01 0.00 -0.00 0.00 0.00 35.95 35.92 1xyd h PHE 70 CO 0.00 1.10 -0.36 0.37 -0.00 0.00 0.00 178.31 179.43 1xyd h GLN 71 N 0.06 0.84 0.14 6.09 4.15 -2.01 -2.81 115.11 121.57 1xyd h GLN 71 Ca -0.07 -0.42 -0.35 0.00 0.77 0.00 0.00 58.65 58.58 1xyd h GLN 71 Cb 1.76 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 29.45 1xyd h GLN 71 CO 0.16 1.05 -1.87 1.49 -1.93 0.00 0.00 178.83 177.73 1xyd h GLU 72 N 0.69 0.29 -0.83 1.69 4.81 -1.89 -3.24 114.58 116.10 1xyd h GLU 72 Ca 0.07 -0.50 0.12 0.00 -0.13 0.00 0.00 59.36 58.92 1xyd h GLU 72 Cb 0.92 0.19 -0.08 0.00 0.63 0.00 0.00 28.75 30.40 1xyd h GLU 72 CO 0.08 1.20 0.45 0.35 -0.73 0.00 0.00 179.01 180.37 1xyd h PHE 73 N 0.08 0.81 -0.65 0.92 3.57 -1.05 0.44 116.94 121.07 1xyd h PHE 73 Ca -0.38 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.11 1xyd h PHE 73 Cb 2.05 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 40.53 1xyd h PHE 73 CO 0.08 0.27 0.25 0.52 -2.23 0.00 0.00 178.31 177.19 1xyd h MET 74 N 0.70 0.97 -0.43 1.11 2.86 -1.63 -0.26 114.93 118.25 1xyd h MET 74 Ca 0.43 -0.18 0.13 0.00 -2.06 0.00 0.00 59.70 58.01 1xyd h MET 74 Cb 0.50 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.99 1xyd h MET 74 CO -0.30 0.82 0.55 0.00 1.06 0.00 0.00 176.91 179.05 1xyd h ALA 75 N 1.10 2.13 -0.03 6.32 0.00 -0.16 0.24 119.26 128.86 1xyd h ALA 75 Ca 0.21 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1xyd h ALA 75 Cb 0.22 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1xyd h ALA 75 CO -0.02 -0.78 -0.10 0.35 0.00 0.00 0.00 179.25 178.70 1xyd h PHE 76 N 0.00 0.17 -0.76 0.00 3.57 -0.38 -1.80 116.94 117.74 1xyd h PHE 76 Ca 0.21 -0.07 0.10 0.00 3.53 0.00 0.00 57.97 61.74 1xyd h PHE 76 Cb 1.31 -0.03 -0.05 0.00 2.79 0.00 0.00 35.95 39.97 1xyd h PHE 76 CO 0.00 0.72 0.50 0.28 -2.23 0.00 0.00 178.31 177.58 1xyd h VAL 77 N -0.43 0.92 -0.26 1.41 2.07 -0.54 0.34 116.25 119.77 1xyd h VAL 77 Ca -0.00 -0.22 -0.07 0.00 0.82 0.00 0.00 66.70 67.23 1xyd h VAL 77 Cb 0.72 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 1xyd h VAL 77 CO 0.02 0.12 -0.13 -1.28 0.02 0.00 0.00 177.57 176.32 1xyd h SER 78 N 0.64 0.42 0.81 0.57 0.87 -1.10 1.62 113.55 117.38 1xyd h SER 78 Ca 0.36 -0.10 -0.11 0.00 -1.23 0.00 0.00 61.79 60.70 1xyd h SER 78 Cb 0.52 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.35 1xyd h SER 78 CO -0.13 0.58 -0.54 -0.03 -0.53 0.00 0.00 176.83 176.18 1xyd h MET 79 N 0.40 0.00 0.09 2.24 -1.53 0.50 0.56 114.93 117.19 1xyd h MET 79 Ca 0.08 0.00 -0.31 0.00 -3.44 0.00 0.00 59.70 56.02 1xyd h MET 79 Cb 0.48 0.00 -0.02 0.00 -0.55 0.00 0.00 31.60 31.50 1xyd h MET 79 CO 0.03 0.54 -1.67 0.28 0.14 0.00 0.00 176.91 176.22 1xyd h VAL 80 N 0.00 0.96 -0.48 -5.77 2.07 -0.25 -3.00 116.25 109.78 1xyd h VAL 80 Ca -0.01 -2.68 -0.11 0.00 0.82 0.00 0.00 66.70 64.73 1xyd h VAL 80 Cb 1.09 2.62 -0.02 0.00 -1.52 0.00 0.00 31.29 33.46 1xyd h VAL 80 CO 0.07 0.76 -0.12 0.74 0.02 0.00 0.00 177.57 179.04 1xyd h THR 81 N 0.05 1.26 -0.55 2.57 2.02 0.25 -2.82 112.91 115.70 1xyd h THR 81 Ca -0.29 -1.24 -0.02 0.00 0.77 0.00 0.00 66.41 65.63 1xyd h THR 81 Cb 2.01 1.03 -0.03 0.00 -1.74 0.00 0.00 68.15 69.43 1xyd h THR 81 CO 0.12 0.43 0.26 0.71 0.37 0.00 0.00 175.52 177.41 1xyd h THR 82 N 0.79 1.21 -0.87 3.16 1.35 0.08 -1.35 112.91 117.27 1xyd h THR 82 Ca 0.13 -0.59 0.18 0.00 -0.55 0.00 0.00 66.41 65.58 1xyd h THR 82 Cb 0.65 0.58 -0.06 0.00 -1.73 0.00 0.00 68.15 67.58 1xyd h THR 82 CO 0.05 0.23 0.57 0.00 -0.25 0.00 0.00 175.52 176.12 1xyd h ALA 83 N 1.10 2.10 0.00 6.62 0.00 -1.35 2.46 119.26 130.18 1xyd h ALA 83 Ca 0.19 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1xyd h ALA 83 Cb 0.13 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1xyd h ALA 83 CO -0.02 -0.36 0.00 0.00 0.00 0.00 0.00 179.25 178.87 1xyd n HIS 85 N -2.12 0.21 -0.01 0.00 -0.00 0.78 -4.03 115.22 110.06 1xyd n HIS 85 Ca 0.03 0.05 -0.16 0.00 -0.00 0.00 0.00 57.72 57.63 1xyd n HIS 85 Cb 0.23 -1.03 -0.10 0.00 -0.00 0.00 0.00 29.99 29.09 1xyd n HIS 85 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.34 177.27 1xyd h GLU 86 N 0.01 0.35 -0.46 1.57 5.08 -0.06 -2.80 114.58 118.27 1xyd h GLU 86 Ca -0.54 -0.35 0.09 0.00 -1.00 0.00 0.00 59.36 57.57 1xyd h GLU 86 Cb 1.99 0.09 -0.09 0.00 0.50 0.00 0.00 28.75 31.24 1xyd h GLU 86 CO -0.03 1.02 -0.19 0.35 -1.00 0.00 0.00 179.01 179.15 1xyd h PHE 87 N -0.18 -0.47 0.00 4.33 3.57 -1.28 2.38 116.94 125.30 1xyd h PHE 87 Ca -0.05 0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 1xyd h PHE 87 Cb 1.15 0.28 -0.00 0.00 2.79 0.00 0.00 35.95 40.16 1xyd h PHE 87 CO 0.15 -0.28 -0.13 0.35 -2.23 0.00 0.00 178.31 176.17 1xyd h PHE 88 N -0.09 0.00 -0.01 0.41 3.57 -1.70 -1.76 116.94 117.36 1xyd h PHE 88 Ca 0.22 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.72 1xyd h PHE 88 Cb 0.43 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.17 1xyd h PHE 88 CO -0.46 0.13 -0.47 0.39 -2.23 0.00 0.00 178.31 175.66 1xyd n GLU 89 N -3.71 1.08 -1.72 1.11 1.02 0.16 -4.87 120.64 113.71 1xyd n GLU 89 Ca -0.02 -0.86 -0.37 0.00 -0.02 0.00 0.00 57.16 55.89 1xyd n GLU 89 Cb 0.24 -1.48 -0.03 0.00 -0.02 0.00 0.00 31.44 30.15 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 1.27 -2.00 -0.32 2.46 0.75 -5.03 115.29 109.91 1xyd s HIS 90 Ca 0.19 1.29 0.25 0.00 0.47 0.00 0.00 55.06 57.26 1xyd s HIS 90 Cb 0.18 -3.76 1.51 0.00 -0.13 0.00 0.00 32.58 30.38 1xyd s HIS 90 CO 0.58 -2.49 1.87 0.39 -2.47 0.00 0.00 174.74 172.61