#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 5.02 -0.26 6.12 7.64 -1.26 -4.86 113.62 126.02 1xyd n SER 1 Ca 0.00 -3.26 0.30 0.00 1.01 0.00 0.00 58.87 56.92 1xyd n SER 1 Cb 0.00 -1.11 0.69 0.00 -1.01 0.00 0.00 64.21 62.79 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 5.62 0.08 0.00 1.43 5.08 -2.07 1.37 114.58 126.09 1xyd h GLU 2 Ca 0.18 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1xyd h GLU 2 Cb 0.73 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.97 1xyd h GLU 2 CO 1.02 0.05 0.00 -0.07 -1.00 0.00 0.00 179.01 179.02 1xyd h LEU 3 N 0.08 0.00 -0.63 1.33 -0.00 -2.01 -2.33 115.31 111.75 1xyd h LEU 3 Ca 0.51 0.00 -0.12 0.00 -0.00 0.00 0.00 57.88 58.26 1xyd h LEU 3 Cb 1.87 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 42.51 1xyd h LEU 3 CO -0.06 0.00 -0.59 -0.08 -0.00 0.00 0.00 178.44 177.71 1xyd h GLU 4 N 0.00 0.00 -0.17 1.13 4.22 0.14 -2.09 114.58 117.82 1xyd h GLU 4 Ca 0.00 0.00 -0.06 0.00 0.08 0.00 0.00 59.36 59.38 1xyd h GLU 4 Cb 0.47 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 1xyd h GLU 4 CO 0.00 0.59 -0.13 0.87 -2.18 0.00 0.00 179.01 178.15 1xyd h LYS 5 N 0.00 0.39 0.42 1.92 1.79 -1.40 -2.75 116.57 116.93 1xyd h LYS 5 Ca -0.01 -0.19 -0.02 0.00 -2.18 0.00 0.00 60.65 58.25 1xyd h LYS 5 Cb 1.16 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.82 1xyd h LYS 5 CO 0.08 0.74 -0.20 0.00 -1.08 0.00 0.00 179.45 178.99 1xyd h ALA 6 N 0.65 -0.56 -0.97 3.86 0.00 -1.49 0.38 119.26 121.13 1xyd h ALA 6 Ca 0.03 -0.18 0.17 0.00 0.00 0.00 0.00 54.91 54.94 1xyd h ALA 6 Cb 0.65 0.22 -0.09 0.00 0.00 0.00 0.00 17.79 18.57 1xyd h ALA 6 CO 0.04 -0.70 0.61 0.52 0.00 0.00 0.00 179.25 179.72 1xyd h MET 7 N -0.79 0.71 0.06 0.00 2.86 -1.46 0.10 114.93 116.41 1xyd h MET 7 Ca -0.06 -0.04 -0.25 0.00 -2.06 0.00 0.00 59.70 57.29 1xyd h MET 7 Cb 0.54 -0.16 0.02 0.00 0.06 0.00 0.00 31.60 32.06 1xyd h MET 7 CO 0.09 0.47 -1.00 0.28 1.06 0.00 0.00 176.91 177.81 1xyd h VAL 8 N 0.73 1.34 -0.56 -2.22 2.07 -1.38 -2.08 116.25 114.14 1xyd h VAL 8 Ca 0.53 -2.32 -0.01 0.00 0.82 0.00 0.00 66.70 65.72 1xyd h VAL 8 Cb 0.86 2.64 -0.03 0.00 -1.52 0.00 0.00 31.29 33.24 1xyd h VAL 8 CO -0.30 0.70 0.32 0.00 0.02 0.00 0.00 177.57 178.31 1xyd h ALA 9 N 0.30 1.50 0.06 1.67 0.00 0.20 -3.09 119.26 119.91 1xyd h ALA 9 Ca -0.14 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.61 1xyd h ALA 9 Cb 1.69 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 19.26 1xyd h ALA 9 CO 0.19 0.42 -0.35 -0.07 0.00 0.00 0.00 179.25 179.44 1xyd h LEU 10 N 0.77 0.21 -1.71 0.00 4.07 -0.86 -3.17 115.31 114.62 1xyd h LEU 10 Ca 0.20 -0.97 0.39 0.00 0.08 0.00 0.00 57.88 57.58 1xyd h LEU 10 Cb 0.01 -0.07 -0.08 0.00 1.08 0.00 0.00 40.66 41.60 1xyd h LEU 10 CO -0.03 1.16 0.92 0.40 -1.08 0.00 0.00 178.44 179.81 1xyd h ILE 11 N -0.72 0.28 0.02 1.22 2.04 -1.30 3.00 117.51 122.06 1xyd h ILE 11 Ca -0.06 -0.04 -0.00 0.00 1.00 0.00 0.00 64.86 65.76 1xyd h ILE 11 Cb 1.27 0.17 0.00 0.00 -0.74 0.00 0.00 36.82 37.52 1xyd h ILE 11 CO 0.07 0.02 -0.01 0.44 0.00 0.00 0.00 178.15 178.66 1xyd h ASP 12 N 0.10 -0.03 0.98 1.72 3.32 -1.62 -3.11 116.42 117.79 1xyd h ASP 12 Ca 0.71 -0.70 -0.08 0.00 0.02 0.00 0.00 57.03 56.97 1xyd h ASP 12 Cb 2.47 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 42.01 1xyd h ASP 12 CO -0.17 0.78 -0.39 0.58 -1.72 0.00 0.00 179.24 178.31 1xyd h VAL 13 N -0.92 0.85 0.67 -1.35 2.07 -0.95 -1.80 116.25 114.81 1xyd h VAL 13 Ca -0.00 -1.64 -0.03 0.00 0.82 0.00 0.00 66.70 65.85 1xyd h VAL 13 Cb 0.73 2.02 0.01 0.00 -1.52 0.00 0.00 31.29 32.52 1xyd h VAL 13 CO 0.01 0.38 -0.32 0.15 0.02 0.00 0.00 177.57 177.81 1xyd h PHE 14 N 0.00 -0.84 0.00 1.57 3.57 0.52 -3.02 116.94 118.74 1xyd h PHE 14 Ca -0.00 -0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.34 1xyd h PHE 14 Cb 0.99 0.28 -0.02 0.00 2.79 0.00 0.00 35.95 39.98 1xyd h PHE 14 CO 0.00 -0.49 -0.69 0.45 -2.23 0.00 0.00 178.31 175.36 1xyd h HIS 15 N -1.12 0.00 -0.84 0.41 3.86 -1.62 -2.77 115.15 113.07 1xyd h HIS 15 Ca -0.09 0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.14 1xyd h HIS 15 Cb 0.73 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 29.15 1xyd h HIS 15 CO -0.00 0.64 0.55 1.96 0.86 0.00 0.00 177.93 181.94 1xyd h GLN 16 N 0.00 1.08 0.09 2.45 4.20 -1.39 0.91 115.11 122.45 1xyd h GLN 16 Ca -0.02 -0.06 -0.22 0.00 0.06 0.00 0.00 58.65 58.41 1xyd h GLN 16 Cb 1.50 -0.24 0.02 0.00 0.30 0.00 0.00 27.48 29.06 1xyd h GLN 16 CO 0.08 0.71 -0.92 1.88 -0.67 0.00 0.00 178.83 179.92 1xyd h TYR 17 N 1.11 0.74 -1.01 2.96 -1.99 -1.60 -2.10 116.97 115.09 1xyd h TYR 17 Ca 0.32 -0.47 0.02 0.00 2.00 0.00 0.00 58.73 60.60 1xyd h TYR 17 Cb -0.08 -0.06 -0.05 0.00 2.00 0.00 0.00 36.73 38.54 1xyd h TYR 17 CO -0.02 1.33 0.66 0.66 -0.00 0.00 0.00 178.16 180.79 1xyd h SER 18 N -0.05 1.13 -0.07 3.88 4.64 -1.17 0.98 113.55 122.89 1xyd h SER 18 Ca -0.14 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 1xyd h SER 18 Cb 1.65 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 63.47 1xyd h SER 18 CO 0.18 0.79 0.00 0.61 -0.87 0.00 0.00 176.83 177.54 1xyd n GLY 19 N -1.38 -0.56 0.08 -0.77 0.00 0.31 -3.88 105.19 99.00 1xyd n GLY 19 Ca 0.13 -0.18 -0.13 0.00 0.00 0.00 0.00 46.02 45.84 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 0.68 -0.08 -3.25 1.61 2.43 -0.07 -3.47 114.38 112.22 1xyd h ARG 20 Ca 0.00 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 1xyd h ARG 20 Cb 0.15 0.02 -0.12 0.00 -0.42 0.00 0.00 29.97 29.60 1xyd h ARG 20 CO 0.00 0.30 0.04 -1.83 -1.51 0.00 0.00 179.97 176.97 1xyd s GLU 21 N -4.62 1.21 1.92 0.20 -1.05 -1.25 -5.11 118.70 110.00 1xyd s GLU 21 Ca -0.15 -0.68 0.00 0.00 -0.15 0.00 0.00 54.97 53.99 1xyd s GLU 21 Cb 0.02 0.52 0.00 0.00 -0.44 0.00 0.00 34.13 34.23 1xyd s GLU 21 CO 0.64 -0.50 0.00 0.41 0.95 0.00 0.00 175.26 176.76 1xyd n GLY 22 N -0.30 -0.95 3.71 -3.83 0.00 -1.26 -4.67 105.19 97.89 1xyd n GLY 22 Ca -0.15 -1.09 -0.42 0.00 0.00 0.00 0.00 46.02 44.37 1xyd n GLY 22 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xyd s ASP 23 N -4.00 6.48 0.93 1.61 1.01 -1.26 -4.91 116.67 116.53 1xyd s ASP 23 Ca 0.00 2.72 -0.13 0.00 0.71 0.00 0.00 52.55 55.85 1xyd s ASP 23 Cb 0.00 -2.58 0.15 0.00 1.01 0.00 0.00 42.92 41.50 1xyd s ASP 23 CO 0.00 -0.93 1.14 -1.59 0.21 0.00 0.00 175.17 174.00 1xyd s LYS 24 N 1.79 0.99 0.00 8.23 -2.85 -1.26 -3.90 119.74 122.75 1xyd s LYS 24 Ca 0.75 0.25 0.00 0.00 -1.00 0.00 0.00 55.97 55.97 1xyd s LYS 24 Cb -0.46 -1.83 0.00 0.00 -2.06 0.00 0.00 37.83 33.49 1xyd s LYS 24 CO 0.33 -2.29 0.00 1.58 0.10 0.00 0.00 175.35 175.07 1xyd n HIS 25 N -3.82 0.00 -4.13 1.78 -0.00 -1.26 -4.96 115.22 102.83 1xyd n HIS 25 Ca 0.07 0.00 -0.15 0.00 0.46 0.00 0.00 57.72 58.10 1xyd n HIS 25 Cb 0.59 0.00 -0.12 0.00 -0.12 0.00 0.00 29.99 30.34 1xyd n HIS 25 CO 0.00 0.00 0.00 0.15 0.46 0.00 0.00 176.34 176.95 1xyd s LYS 26 N -0.15 0.56 -0.07 1.57 1.02 -1.25 -4.54 119.74 116.88 1xyd s LYS 26 Ca 0.00 -0.61 -0.15 0.00 0.02 0.00 0.00 55.97 55.23 1xyd s LYS 26 Cb 0.00 -0.43 -0.05 0.00 -0.52 0.00 0.00 37.83 36.83 1xyd s LYS 26 CO 0.00 0.09 0.39 -0.51 -0.92 0.00 0.00 175.35 174.41 1xyd s LEU 27 N -1.14 4.36 0.24 3.17 1.02 -1.20 -4.43 118.68 120.71 1xyd s LEU 27 Ca -0.05 0.80 0.08 0.00 0.02 0.00 0.00 54.13 54.98 1xyd s LEU 27 Cb -0.08 -2.55 -0.04 0.00 0.02 0.00 0.00 46.19 43.55 1xyd s LEU 27 CO 0.00 0.19 0.08 -0.54 0.02 0.00 0.00 176.35 176.10 1xyd s LYS 28 N -0.24 2.58 0.25 1.70 1.02 -1.26 -3.06 119.74 120.73 1xyd s LYS 28 Ca 0.22 -1.20 -0.06 0.00 0.02 0.00 0.00 55.97 54.95 1xyd s LYS 28 Cb -0.15 -2.37 0.46 0.00 -0.52 0.00 0.00 37.83 35.25 1xyd s LYS 28 CO 0.10 0.40 1.63 0.87 -0.92 0.00 0.00 175.35 177.43 1xyd h LYS 29 N 1.89 0.10 0.00 1.68 1.57 -1.98 2.58 116.57 122.40 1xyd h LYS 29 Ca -0.46 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1xyd h LYS 29 Cb 1.24 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1xyd h LYS 29 CO 0.60 0.06 0.35 0.77 -0.57 0.00 0.00 179.45 180.67 1xyd h SER 30 N 0.10 0.00 0.00 0.86 0.02 -1.98 0.18 113.55 112.73 1xyd h SER 30 Ca 0.43 0.00 -0.42 0.00 -0.84 0.00 0.00 61.79 60.95 1xyd h SER 30 Cb 0.76 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.23 1xyd h SER 30 CO -0.68 0.00 -2.50 -0.62 -1.14 0.00 0.00 176.83 171.89 1xyd n GLU 31 N -2.29 0.62 0.21 3.45 1.02 0.85 -3.22 120.64 121.28 1xyd n GLU 31 Ca -0.01 0.21 -0.15 0.00 -0.02 0.00 0.00 57.16 57.19 1xyd n GLU 31 Cb 0.38 -1.51 -0.08 0.00 -0.02 0.00 0.00 31.44 30.21 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 -0.46 -0.42 -0.96 -4.62 6.46 0.12 2.40 115.31 117.82 1xyd h LEU 32 Ca -0.63 -0.04 -0.08 0.00 -0.12 0.00 0.00 57.88 57.00 1xyd h LEU 32 Cb 1.77 0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 41.79 1xyd h LEU 32 CO -0.24 -0.22 -0.12 0.50 -0.62 0.00 0.00 178.44 177.74 1xyd h LYS 33 N -0.59 0.63 0.04 1.25 3.64 -1.00 -0.39 116.57 120.14 1xyd h LYS 33 Ca -0.05 -0.19 -0.22 0.00 -1.27 0.00 0.00 60.65 58.91 1xyd h LYS 33 Cb 0.44 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 1xyd h LYS 33 CO 0.08 0.73 -1.03 1.49 -2.27 0.00 0.00 179.45 178.45 1xyd h GLU 34 N 0.57 0.13 -0.14 1.90 4.57 -1.46 -2.35 114.58 117.81 1xyd h GLU 34 Ca 0.10 -0.19 -0.15 0.00 -1.18 0.00 0.00 59.36 57.93 1xyd h GLU 34 Cb 0.54 0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.19 1xyd h GLU 34 CO 0.03 1.04 -0.57 1.25 -1.18 0.00 0.00 179.01 179.59 1xyd h LEU 35 N 0.05 0.49 -0.55 1.64 5.85 0.43 0.26 115.31 123.48 1xyd h LEU 35 Ca -0.06 -0.27 -0.12 0.00 0.84 0.00 0.00 57.88 58.28 1xyd h LEU 35 Cb 1.75 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 42.62 1xyd h LEU 35 CO 0.15 0.96 -0.13 0.40 -0.34 0.00 0.00 178.44 179.48 1xyd h ILE 36 N 0.34 1.27 0.00 4.05 2.04 -1.05 0.79 117.51 124.94 1xyd h ILE 36 Ca 0.00 -1.29 -0.06 0.00 1.00 0.00 0.00 64.86 64.51 1xyd h ILE 36 Cb 1.09 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 38.15 1xyd h ILE 36 CO 0.10 0.46 -0.40 0.78 0.00 0.00 0.00 178.15 179.08 1xyd h ASN 37 N 0.91 0.00 0.03 1.72 4.21 -1.22 -1.13 115.58 120.09 1xyd h ASN 37 Ca 0.14 0.00 -0.39 0.00 1.21 0.00 0.00 56.30 57.26 1xyd h ASN 37 Cb 0.70 0.00 -0.05 0.00 -1.12 0.00 0.00 38.32 37.85 1xyd h ASN 37 CO 0.05 0.28 -2.25 0.59 -1.29 0.00 0.00 177.43 174.81 1xyd n ASN 38 N -3.12 1.99 -0.03 5.81 4.13 0.88 -4.47 115.26 120.45 1xyd n ASN 38 Ca 0.02 0.13 -0.04 0.00 1.68 0.00 0.00 54.58 56.37 1xyd n ASN 38 Cb 0.65 -0.68 -0.01 0.00 -1.54 0.00 0.00 39.78 38.19 1xyd n ASN 38 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1xyd n GLU 39 N -3.72 0.23 -0.13 3.52 4.71 0.22 -4.51 120.64 120.96 1xyd n GLU 39 Ca -0.44 0.09 0.00 0.00 -0.01 0.00 0.00 57.16 56.80 1xyd n GLU 39 Cb 0.94 -0.85 0.00 0.00 -1.01 0.00 0.00 31.44 30.51 1xyd n GLU 39 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1xyd n LEU 40 N -3.52 2.71 0.12 -4.62 4.77 -0.90 -3.69 117.00 111.88 1xyd n LEU 40 Ca -0.06 -1.29 0.12 0.00 -0.03 0.00 0.00 56.01 54.75 1xyd n LEU 40 Cb 0.23 -0.52 0.04 0.00 -2.33 0.00 0.00 43.42 40.84 1xyd n LEU 40 CO 0.09 0.48 0.16 -1.28 -1.33 0.00 0.00 177.39 175.51 1xyd h SER 41 N 1.10 0.00 0.55 -1.43 0.87 -1.38 -1.40 113.55 111.87 1xyd h SER 41 Ca 0.00 -0.02 -0.19 0.00 -1.23 0.00 0.00 61.79 60.35 1xyd h SER 41 Cb 0.70 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.62 1xyd h SER 41 CO 0.00 0.01 -1.59 1.41 -0.53 0.00 0.00 176.83 176.13 1xyd n HIS 42 N -2.69 0.82 -0.12 2.24 8.25 -1.24 -4.43 115.22 118.05 1xyd n HIS 42 Ca 0.01 0.28 -0.25 0.00 -0.26 0.00 0.00 57.72 57.49 1xyd n HIS 42 Cb 0.54 -1.05 -0.08 0.00 1.12 0.00 0.00 29.99 30.51 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 -2.85 0.00 -3.22 4.41 3.72 -1.25 -4.94 117.46 113.32 1xyd n PHE 43 Ca -0.13 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 56.89 1xyd n PHE 43 Cb 0.88 -0.84 -0.06 0.00 -0.94 0.00 0.00 39.48 38.53 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 -7.30 4.46 0.19 4.37 2.96 -0.53 -4.99 118.68 117.85 1xyd s LEU 44 Ca -0.33 1.22 -0.32 0.00 -0.22 0.00 0.00 54.13 54.48 1xyd s LEU 44 Cb 0.12 -2.93 -0.15 0.00 0.50 0.00 0.00 46.19 43.73 1xyd s LEU 44 CO 0.41 0.17 1.18 1.21 -1.32 0.00 0.00 176.35 178.00 1xyd n GLU 45 N 2.33 1.29 -1.48 1.98 2.13 -1.26 -4.24 120.64 121.39 1xyd n GLU 45 Ca -0.08 0.46 -0.12 0.00 0.66 0.00 0.00 57.16 58.08 1xyd n GLU 45 Cb 0.51 -1.97 -0.10 0.00 0.27 0.00 0.00 31.44 30.15 1xyd n GLU 45 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 1xyd n GLU 46 N 1.71 0.15 -1.68 5.31 0.00 -1.26 -4.84 120.64 120.03 1xyd n GLU 46 Ca 0.14 -1.22 -0.46 0.00 0.00 0.00 0.00 57.16 55.61 1xyd n GLU 46 Cb 0.26 -3.33 -0.04 0.00 0.00 0.00 0.00 31.44 28.33 1xyd n GLU 46 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.13 176.24 1xyd n ILE 47 N 8.20 0.31 0.05 3.84 5.41 -1.26 -4.82 119.36 131.09 1xyd n ILE 47 Ca 0.37 -0.06 0.04 0.00 1.00 0.00 0.00 62.75 64.10 1xyd n ILE 47 Cb 0.45 -1.77 -0.05 0.00 -0.71 0.00 0.00 39.64 37.56 1xyd n ILE 47 CO 0.00 0.00 0.00 2.29 0.00 0.00 0.00 176.55 178.84 1xyd n LYS 48 N 5.15 0.94 -3.94 0.38 2.85 -1.26 -4.73 118.16 117.55 1xyd n LYS 48 Ca 0.20 -0.06 -0.28 0.00 -1.05 0.00 0.00 58.31 57.12 1xyd n LYS 48 Cb 0.30 -1.12 -0.03 0.00 -0.65 0.00 0.00 35.03 33.53 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 -2.37 3.43 -0.02 -1.58 2.02 -1.26 -5.02 118.70 113.90 1xyd s GLU 49 Ca -0.02 -0.54 0.17 0.00 0.02 0.00 0.00 54.97 54.60 1xyd s GLU 49 Cb 0.05 -2.99 -0.19 0.00 0.10 0.00 0.00 34.13 31.10 1xyd s GLU 49 CO 0.30 0.56 0.61 1.04 0.02 0.00 0.00 175.26 177.78 1xyd n GLN 50 N -0.20 0.64 -0.37 1.61 6.02 -1.26 -4.26 117.38 119.56 1xyd n GLN 50 Ca -0.06 0.14 0.30 0.00 -0.01 0.00 0.00 57.00 57.37 1xyd n GLN 50 Cb 0.53 -1.71 0.61 0.00 1.02 0.00 0.00 30.24 30.68 1xyd n GLN 50 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.06 177.10 1xyd h GLU 51 N 0.00 0.21 -0.07 -1.09 4.11 -1.98 1.02 114.58 116.78 1xyd h GLU 51 Ca -0.24 -0.01 -0.23 0.00 0.07 0.00 0.00 59.36 58.95 1xyd h GLU 51 Cb 1.71 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 30.92 1xyd h GLU 51 CO 0.04 0.14 -0.87 -0.39 0.07 0.00 0.00 179.01 178.00 1xyd h VAL 52 N 0.21 1.32 0.00 -1.06 -1.51 -1.99 0.84 116.25 114.06 1xyd h VAL 52 Ca 0.67 -2.15 -0.02 0.00 -1.23 0.00 0.00 66.70 63.96 1xyd h VAL 52 Cb 2.05 2.18 -0.00 0.00 -2.13 0.00 0.00 31.29 33.39 1xyd h VAL 52 CO -0.27 0.67 -0.10 1.62 -1.23 0.00 0.00 177.57 178.26 1xyd h VAL 53 N 0.40 0.37 0.09 7.19 3.04 0.55 1.68 116.25 129.57 1xyd h VAL 53 Ca -0.07 -0.56 -0.26 0.00 -1.01 0.00 0.00 66.70 64.79 1xyd h VAL 53 Cb 1.49 1.41 -0.01 0.00 -2.01 0.00 0.00 31.29 32.18 1xyd h VAL 53 CO 0.17 0.09 -1.22 -0.78 -1.01 0.00 0.00 177.57 174.82 1xyd h ASP 54 N 0.00 0.31 0.54 3.17 3.58 0.72 -2.77 116.42 121.97 1xyd h ASP 54 Ca -0.00 -0.35 -0.29 0.00 0.42 0.00 0.00 57.03 56.81 1xyd h ASP 54 Cb 0.40 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.33 1xyd h ASP 54 CO 0.01 1.27 -1.48 0.07 -2.88 0.00 0.00 179.24 176.23 1xyd h LYS 55 N 0.05 0.17 -0.61 0.28 5.09 0.68 -3.06 116.57 119.18 1xyd h LYS 55 Ca -0.12 -0.29 -0.02 0.00 0.09 0.00 0.00 60.65 60.31 1xyd h LYS 55 Cb 1.93 0.11 -0.03 0.00 0.10 0.00 0.00 32.23 34.34 1xyd h LYS 55 CO 0.18 1.00 0.29 -0.24 -2.09 0.00 0.00 179.45 178.59 1xyd h VAL 56 N 0.05 1.21 -0.53 0.07 3.04 0.23 -0.46 116.25 119.87 1xyd h VAL 56 Ca -0.22 -0.61 0.01 0.00 -1.01 0.00 0.00 66.70 64.87 1xyd h VAL 56 Cb 1.98 0.49 -0.03 0.00 -2.01 0.00 0.00 31.29 31.72 1xyd h VAL 56 CO 0.14 0.25 0.35 0.24 -1.01 0.00 0.00 177.57 177.54 1xyd h MET 57 N 0.83 0.70 -0.02 4.17 2.86 -1.57 0.31 114.93 122.21 1xyd h MET 57 Ca 0.21 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.78 1xyd h MET 57 Cb 0.12 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 31.62 1xyd h MET 57 CO -0.03 0.46 -0.09 1.49 1.06 0.00 0.00 176.91 179.81 1xyd h GLU 58 N 0.72 0.03 0.00 1.72 4.81 -0.99 2.77 114.58 123.63 1xyd h GLU 58 Ca 0.19 -0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 59.16 1xyd h GLU 58 Cb -0.08 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.25 1xyd h GLU 58 CO -0.04 0.13 -1.54 1.15 -0.73 0.00 0.00 179.01 177.98 1xyd h THR 59 N 0.03 0.91 0.00 0.32 2.02 -0.15 -3.40 112.91 112.64 1xyd h THR 59 Ca 0.01 -2.68 -0.39 0.00 0.77 0.00 0.00 66.41 64.12 1xyd h THR 59 Cb 0.18 2.42 -0.07 0.00 -1.74 0.00 0.00 68.15 68.94 1xyd h THR 59 CO 0.01 0.52 -2.42 0.18 0.37 0.00 0.00 175.52 174.18 1xyd n LEU 60 N -3.07 2.70 -4.53 2.58 7.99 0.83 -4.87 117.00 118.63 1xyd n LEU 60 Ca -0.13 -0.02 -0.42 0.00 -0.01 0.00 0.00 56.01 55.43 1xyd n LEU 60 Cb 1.00 -0.84 -0.05 0.00 -0.11 0.00 0.00 43.42 43.41 1xyd n LEU 60 CO 0.45 0.83 1.95 -0.67 -1.51 0.00 0.00 177.39 178.44 1xyd n ASP 61 N -3.46 2.32 -0.06 -1.43 -0.08 0.92 -4.75 116.55 110.01 1xyd n ASP 61 Ca -0.46 -0.05 -0.22 0.00 -1.51 0.00 0.00 54.79 52.56 1xyd n ASP 61 Cb 0.94 -1.44 -0.13 0.00 2.34 0.00 0.00 41.12 42.84 1xyd n ASP 61 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1xyd n GLU 62 N 8.71 0.66 0.00 -0.67 2.13 -1.26 -3.83 120.64 126.39 1xyd n GLU 62 Ca 0.39 0.40 0.14 0.00 0.66 0.00 0.00 57.16 58.75 1xyd n GLU 62 Cb 0.40 -1.71 0.76 0.00 0.27 0.00 0.00 31.44 31.16 1xyd n GLU 62 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 1xyd n ASP 63 N -3.95 0.00 -3.50 4.31 5.68 -1.26 -4.87 116.55 112.97 1xyd n ASP 63 Ca -0.34 -0.48 -0.21 0.00 -0.50 0.00 0.00 54.79 53.27 1xyd n ASP 63 Cb 0.87 -0.15 0.08 0.00 -1.14 0.00 0.00 41.12 40.79 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 0.91 -0.46 0.40 6.12 0.00 -1.25 -4.87 105.19 106.04 1xyd n GLY 64 Ca 0.17 0.19 0.12 0.00 0.00 0.00 0.00 46.02 46.49 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 -3.02 1.65 0.00 1.61 5.68 -1.26 -4.91 116.55 116.30 1xyd n ASP 65 Ca -0.11 -1.28 0.00 0.00 -0.50 0.00 0.00 54.79 52.90 1xyd n ASP 65 Cb 0.60 0.34 0.00 0.00 -1.14 0.00 0.00 41.12 40.92 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 1.39 0.24 3.47 6.12 0.00 -1.26 -4.93 105.19 110.22 1xyd n GLY 66 Ca 0.10 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 -1.08 1.75 -0.44 1.61 2.02 -1.26 -4.78 118.70 116.53 1xyd s GLU 67 Ca 0.00 -2.01 0.02 0.00 0.02 0.00 0.00 54.97 53.00 1xyd s GLU 67 Cb 0.00 -0.75 0.13 0.00 0.10 0.00 0.00 34.13 33.61 1xyd s GLU 67 CO 0.00 -0.31 0.22 0.00 0.02 0.00 0.00 175.26 175.19 1xyd n ASP 69 N 3.63 -1.03 0.08 0.00 -0.08 -1.26 -3.26 116.55 114.63 1xyd n ASP 69 Ca 0.06 0.00 -0.06 0.00 -1.51 0.00 0.00 54.79 53.28 1xyd n ASP 69 Cb 0.35 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.77 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 -1.44 0.05 -0.01 -0.67 -5.15 -1.98 -1.02 116.94 106.73 1xyd h PHE 70 Ca 0.00 -0.03 -0.20 0.00 -0.20 0.00 0.00 57.97 57.54 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 0.92 -0.86 -0.56 -2.00 0.00 0.00 178.31 175.82 1xyd h GLN 71 N 0.01 0.24 0.13 6.09 -0.00 -1.99 -2.54 115.11 117.06 1xyd h GLN 71 Ca -0.02 -0.25 -0.34 0.00 -0.00 0.00 0.00 58.65 58.05 1xyd h GLN 71 Cb 1.60 0.07 -0.01 0.00 -0.00 0.00 0.00 27.48 29.14 1xyd h GLN 71 CO 0.12 0.96 -1.78 1.49 -0.00 0.00 0.00 178.83 179.62 1xyd h GLU 72 N 0.14 0.28 -0.85 0.06 4.81 -1.88 -3.10 114.58 114.04 1xyd h GLU 72 Ca -0.04 -0.48 0.05 0.00 -0.13 0.00 0.00 59.36 58.75 1xyd h GLU 72 Cb 1.47 0.18 -0.05 0.00 0.63 0.00 0.00 28.75 30.98 1xyd h GLU 72 CO 0.13 1.16 0.56 0.35 -0.73 0.00 0.00 179.01 180.48 1xyd h PHE 73 N 0.08 0.99 0.00 0.92 3.57 -1.24 0.36 116.94 121.61 1xyd h PHE 73 Ca -0.34 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.18 1xyd h PHE 73 Cb 2.05 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 40.46 1xyd h PHE 73 CO 0.08 0.55 0.00 0.52 -2.23 0.00 0.00 178.31 177.22 1xyd h MET 74 N 1.00 0.00 0.00 1.11 2.86 -1.56 -1.99 114.93 116.36 1xyd h MET 74 Ca 0.35 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.99 1xyd h MET 74 Cb 0.12 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.78 1xyd h MET 74 CO -0.12 0.00 0.00 0.00 1.06 0.00 0.00 176.91 177.85 1xyd h ALA 75 N 2.25 1.00 0.12 6.32 0.00 -0.29 -3.12 119.26 125.53 1xyd h ALA 75 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1xyd h ALA 75 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1xyd h ALA 75 CO 0.00 0.00 -0.06 0.35 0.00 0.00 0.00 179.25 179.54 1xyd h PHE 76 N 0.00 -0.14 -0.84 0.00 3.57 -0.33 -2.31 116.94 116.89 1xyd h PHE 76 Ca 0.00 -0.00 0.19 0.00 3.53 0.00 0.00 57.97 61.69 1xyd h PHE 76 Cb 0.93 0.05 -0.06 0.00 2.79 0.00 0.00 35.95 39.66 1xyd h PHE 76 CO 0.00 0.33 0.57 0.28 -2.23 0.00 0.00 178.31 177.26 1xyd h VAL 77 N -0.89 0.69 -0.29 1.41 2.07 -1.61 0.75 116.25 118.38 1xyd h VAL 77 Ca -0.02 -0.11 -0.09 0.00 0.82 0.00 0.00 66.70 67.30 1xyd h VAL 77 Cb 0.54 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1xyd h VAL 77 CO 0.03 0.06 -0.21 0.28 0.02 0.00 0.00 177.57 177.75 1xyd h SER 78 N 0.33 0.55 0.66 0.57 0.02 -1.49 1.17 113.55 115.36 1xyd h SER 78 Ca 0.43 -0.18 -0.12 0.00 -0.84 0.00 0.00 61.79 61.08 1xyd h SER 78 Cb 1.16 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.53 1xyd h SER 78 CO -0.13 0.76 -0.58 -0.03 -1.14 0.00 0.00 176.83 175.71 1xyd h MET 79 N 0.49 0.00 0.02 3.45 -1.53 0.11 1.04 114.93 118.51 1xyd h MET 79 Ca 0.08 0.00 -0.29 0.00 -3.44 0.00 0.00 59.70 56.05 1xyd h MET 79 Cb 0.63 0.00 -0.04 0.00 -0.55 0.00 0.00 31.60 31.64 1xyd h MET 79 CO 0.04 0.58 -1.64 -0.39 0.14 0.00 0.00 176.91 175.64 1xyd h VAL 80 N 0.00 0.95 -0.05 -5.77 -1.51 -0.75 -3.12 116.25 106.00 1xyd h VAL 80 Ca -0.01 -2.76 -0.21 0.00 -1.23 0.00 0.00 66.70 62.49 1xyd h VAL 80 Cb 1.07 2.51 0.00 0.00 -2.13 0.00 0.00 31.29 32.74 1xyd h VAL 80 CO 0.08 0.62 -0.85 0.74 -1.23 0.00 0.00 177.57 176.93 1xyd h THR 81 N 0.01 1.37 -0.44 7.19 2.02 0.16 -2.87 112.91 120.36 1xyd h THR 81 Ca -0.26 -2.27 -0.09 0.00 0.77 0.00 0.00 66.41 64.55 1xyd h THR 81 Cb 1.99 2.25 -0.02 0.00 -1.74 0.00 0.00 68.15 70.63 1xyd h THR 81 CO 0.09 0.69 -0.09 0.71 0.37 0.00 0.00 175.52 177.29 1xyd h THR 82 N 0.29 1.25 -0.21 3.16 1.35 0.10 -1.68 112.91 117.17 1xyd h THR 82 Ca -0.06 -1.14 -0.09 0.00 -0.55 0.00 0.00 66.41 64.57 1xyd h THR 82 Cb 1.46 1.02 -0.01 0.00 -1.73 0.00 0.00 68.15 68.89 1xyd h THR 82 CO 0.15 0.39 -0.27 0.00 -0.25 0.00 0.00 175.52 175.54 1xyd h ALA 83 N 1.19 1.14 -0.30 6.62 0.00 -1.52 0.23 119.26 126.62 1xyd h ALA 83 Ca 0.12 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 1xyd h ALA 83 Cb 0.57 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1xyd h ALA 83 CO 0.03 0.54 -0.03 0.00 0.00 0.00 0.00 179.25 179.80 1xyd h HIS 85 N 0.32 0.00 0.02 0.00 2.07 -1.07 -2.65 115.15 113.84 1xyd h HIS 85 Ca 0.08 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.60 1xyd h HIS 85 Cb 0.49 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.47 1xyd h HIS 85 CO 0.04 0.47 -0.01 1.49 -3.07 0.00 0.00 177.93 176.85 1xyd h GLU 86 N 0.00 -0.03 -0.54 5.12 4.57 -0.13 1.14 114.58 124.71 1xyd h GLU 86 Ca -0.00 0.00 0.07 0.00 -1.18 0.00 0.00 59.36 58.24 1xyd h GLU 86 Cb 0.94 0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 29.48 1xyd h GLU 86 CO 0.06 0.38 0.23 0.35 -1.18 0.00 0.00 179.01 178.85 1xyd h PHE 87 N -0.44 0.41 -0.02 0.92 3.57 -0.90 1.24 116.94 121.71 1xyd h PHE 87 Ca -0.00 0.02 -0.18 0.00 3.53 0.00 0.00 57.97 61.35 1xyd h PHE 87 Cb 0.42 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 1xyd h PHE 87 CO 0.07 0.15 -0.77 0.35 -2.23 0.00 0.00 178.31 175.88 1xyd h PHE 88 N 0.43 0.28 -0.01 0.41 3.57 -1.39 -2.88 116.94 117.36 1xyd h PHE 88 Ca 0.26 -0.14 0.00 0.00 3.53 0.00 0.00 57.97 61.62 1xyd h PHE 88 Cb 0.25 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 38.95 1xyd h PHE 88 CO -0.14 0.89 -0.03 -1.91 -2.23 0.00 0.00 178.31 174.89 1xyd n GLU 89 N -3.74 1.21 -1.91 1.11 2.13 0.39 -4.77 120.64 115.06 1xyd n GLU 89 Ca -0.03 -0.47 -0.38 0.00 0.66 0.00 0.00 57.16 56.94 1xyd n GLU 89 Cb 0.73 -1.49 -0.03 0.00 0.27 0.00 0.00 31.44 30.92 1xyd n GLU 89 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 1xyd s HIS 90 N -2.11 1.52 -2.37 4.31 2.46 0.42 -4.98 115.29 114.54 1xyd s HIS 90 Ca 0.39 0.96 0.29 0.00 0.47 0.00 0.00 55.06 57.17 1xyd s HIS 90 Cb 0.21 -3.97 1.27 0.00 -0.13 0.00 0.00 32.58 29.97 1xyd s HIS 90 CO 0.38 -2.45 1.87 -1.91 -2.47 0.00 0.00 174.74 170.16