#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yxf s ILE 1 N 0.00 0.03 -0.00 3.17 2.07 -1.26 -5.16 121.20 120.05 2yxf s ILE 1 Ca 0.00 -0.26 0.01 0.00 -1.41 0.00 0.00 60.65 58.99 2yxf s ILE 1 Cb 0.00 -0.20 -0.00 0.00 0.13 0.00 0.00 42.46 42.39 2yxf s ILE 1 CO 0.00 -0.14 -0.03 0.00 -1.91 0.00 0.00 174.94 172.85 2yxf s GLN 2 N -0.44 0.26 -0.03 3.50 -2.07 -1.26 -4.34 119.66 115.29 2yxf s GLN 2 Ca -0.05 -0.13 0.00 0.00 -1.82 0.00 0.00 55.36 53.36 2yxf s GLN 2 Cb -0.03 -0.25 0.03 0.00 -1.09 0.00 0.00 33.01 31.67 2yxf s GLN 2 CO 0.00 0.07 0.01 1.03 -1.32 0.00 0.00 175.29 175.08 2yxf s ARG 3 N -0.12 0.19 0.22 9.60 0.52 0.22 -4.93 118.95 124.66 2yxf s ARG 3 Ca 0.01 0.12 -0.30 0.00 -0.52 0.00 0.00 55.73 55.04 2yxf s ARG 3 Cb -0.01 -0.42 -0.09 0.00 0.52 0.00 0.00 34.95 34.94 2yxf s ARG 3 CO -0.00 -0.15 1.32 0.99 0.02 0.00 0.00 175.30 177.47 2yxf s THR 4 N 1.09 3.11 0.33 0.02 2.01 -1.26 -2.12 115.64 118.82 2yxf s THR 4 Ca -0.09 0.93 -0.29 0.00 0.31 0.00 0.00 61.69 62.55 2yxf s THR 4 Cb -0.13 -3.59 -0.10 0.00 0.01 0.00 0.00 72.50 68.68 2yxf s THR 4 CO -0.02 0.15 1.39 -2.16 -0.69 0.00 0.00 174.62 173.29 2yxf s PRO 5 N -0.31 4.27 0.23 4.92 0.04 -1.26 -4.65 135.00 138.24 2yxf s PRO 5 Ca 0.56 2.34 -0.26 0.00 0.04 0.00 0.00 61.00 63.68 2yxf s PRO 5 Cb -0.37 -3.05 -0.09 0.00 0.04 0.00 0.00 34.50 31.03 2yxf s PRO 5 CO 0.40 -0.34 0.86 0.21 0.04 0.00 0.00 177.00 178.17 2yxf s LYS 6 N -1.56 4.61 -0.10 4.56 2.20 -0.44 -4.86 119.74 124.14 2yxf s LYS 6 Ca 0.52 1.25 0.00 0.00 -0.36 0.00 0.00 55.97 57.39 2yxf s LYS 6 Cb -0.42 -3.10 0.02 0.00 -1.51 0.00 0.00 37.83 32.82 2yxf s LYS 6 CO 0.54 0.46 -0.10 0.42 -0.36 0.00 0.00 175.35 176.31 2yxf s ILE 7 N -1.33 1.13 -0.04 5.43 1.01 -1.26 -0.65 121.20 125.48 2yxf s ILE 7 Ca 0.42 -0.39 0.04 0.00 0.00 0.00 0.00 60.65 60.72 2yxf s ILE 7 Cb -0.22 -1.09 -0.00 0.00 0.01 0.00 0.00 42.46 41.15 2yxf s ILE 7 CO 0.26 0.38 -0.16 -1.10 0.00 0.00 0.00 174.94 174.32 2yxf s GLN 8 N 1.36 1.73 -0.10 2.79 -0.21 -0.38 -4.99 119.66 119.86 2yxf s GLN 8 Ca -0.01 -0.58 0.02 0.00 0.02 0.00 0.00 55.36 54.81 2yxf s GLN 8 Cb -0.14 -1.50 0.01 0.00 1.00 0.00 0.00 33.01 32.39 2yxf s GLN 8 CO -0.05 0.22 -0.16 0.08 -2.12 0.00 0.00 175.29 173.26 2yxf s VAL 9 N 0.08 1.53 0.23 1.09 1.01 -1.26 -0.52 120.40 122.56 2yxf s VAL 9 Ca -0.04 -0.68 -0.21 0.00 0.00 0.00 0.00 61.98 61.05 2yxf s VAL 9 Cb -0.12 -1.39 0.04 0.00 0.00 0.00 0.00 36.38 34.91 2yxf s VAL 9 CO 0.02 0.45 0.65 -0.72 0.00 0.00 0.00 175.10 175.50 2yxf s TYR 10 N 0.87 -0.30 0.12 5.22 1.13 -0.69 -4.59 117.35 119.10 2yxf s TYR 10 Ca -0.09 -0.05 0.09 0.00 -1.41 0.00 0.00 57.07 55.62 2yxf s TYR 10 Cb -0.15 0.61 -0.04 0.00 -1.10 0.00 0.00 41.96 41.28 2yxf s TYR 10 CO 0.00 -1.06 -0.21 -1.54 -2.51 0.00 0.00 175.55 170.24 2yxf s SER 11 N -2.85 3.72 -0.03 -0.18 1.04 -1.26 -0.43 113.70 113.72 2yxf s SER 11 Ca 0.07 -0.61 -0.03 0.00 0.48 0.00 0.00 55.95 55.86 2yxf s SER 11 Cb -0.04 -0.45 0.01 0.00 0.10 0.00 0.00 66.02 65.64 2yxf s SER 11 CO -0.02 0.18 0.09 -0.13 0.98 0.00 0.00 173.24 174.34 2yxf s ARG 12 N -2.10 0.16 -0.24 4.02 1.81 -0.55 -4.96 118.95 117.09 2yxf s ARG 12 Ca 0.17 0.02 -0.09 0.00 -1.72 0.00 0.00 55.73 54.11 2yxf s ARG 12 Cb -0.10 0.07 -0.04 0.00 -0.45 0.00 0.00 34.95 34.43 2yxf s ARG 12 CO 0.09 -0.03 0.11 -1.01 -0.68 0.00 0.00 175.30 173.78 2yxf s HIS 13 N -0.22 3.17 0.23 -0.53 3.76 -1.26 -0.56 115.29 119.88 2yxf s HIS 13 Ca -0.03 -0.12 -0.30 0.00 -0.15 0.00 0.00 55.06 54.46 2yxf s HIS 13 Cb -0.02 -2.25 -0.10 0.00 1.11 0.00 0.00 32.58 31.32 2yxf s HIS 13 CO 0.00 -0.16 1.45 -1.25 -0.85 0.00 0.00 174.74 173.93 2yxf s PRO 14 N 1.35 4.27 0.49 8.40 0.04 -1.26 -4.88 135.00 143.41 2yxf s PRO 14 Ca 0.06 2.29 0.19 0.00 0.04 0.00 0.00 61.00 63.58 2yxf s PRO 14 Cb -0.15 -3.13 1.23 0.00 0.04 0.00 0.00 34.50 32.50 2yxf s PRO 14 CO 0.05 -0.44 2.06 0.00 0.04 0.00 0.00 177.00 178.71 2yxf h ALA 15 N 5.38 1.62 0.00 8.56 0.00 -1.96 -1.19 119.26 131.67 2yxf h ALA 15 Ca -0.45 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.34 2yxf h ALA 15 Cb 1.21 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2yxf h ALA 15 CO 0.80 0.16 0.00 -0.85 0.00 0.00 0.00 179.25 179.36 2yxf n GLU 16 N -4.14 0.20 -3.01 0.00 0.00 -1.26 -4.19 120.64 108.24 2yxf n GLU 16 Ca -0.02 0.26 -0.17 0.00 0.00 0.00 0.00 57.16 57.23 2yxf n GLU 16 Cb 0.21 -1.78 -0.02 0.00 0.00 0.00 0.00 31.44 29.84 2yxf n GLU 16 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 2yxf n ASN 17 N -2.14 -1.34 0.28 -1.84 5.15 -0.48 -5.02 115.26 109.87 2yxf n ASN 17 Ca 0.05 -2.91 0.18 0.00 -0.60 0.00 0.00 54.58 51.30 2yxf n ASN 17 Cb 0.35 0.49 0.85 0.00 -0.53 0.00 0.00 39.78 40.93 2yxf n ASN 17 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 2yxf h GLY 18 N 4.23 0.00 2.00 8.20 0.00 -1.64 -1.30 103.07 114.57 2yxf h GLY 18 Ca 0.01 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 2yxf h GLY 18 CO 0.37 0.00 -0.36 0.50 0.00 0.00 0.00 176.54 177.05 2yxf h LYS 19 N 0.00 0.00 -7.05 4.80 1.79 -1.96 -3.45 116.57 110.71 2yxf h LYS 19 Ca 0.00 0.00 -0.48 0.00 -2.18 0.00 0.00 60.65 57.99 2yxf h LYS 19 Cb 0.30 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 30.98 2yxf h LYS 19 CO 0.00 0.36 0.40 -1.12 -1.08 0.00 0.00 179.45 178.01 2yxf s SER 20 N -6.40 6.36 -0.01 0.86 0.01 -0.49 -5.06 113.70 108.97 2yxf s SER 20 Ca 0.00 2.00 0.01 0.00 1.31 0.00 0.00 55.95 59.27 2yxf s SER 20 Cb 0.11 -2.57 0.01 0.00 0.21 0.00 0.00 66.02 63.77 2yxf s SER 20 CO 0.68 -0.77 -0.01 0.21 0.41 0.00 0.00 173.24 173.76 2yxf s ASN 21 N -1.84 0.27 -0.07 2.44 3.84 -1.26 -4.18 114.94 114.14 2yxf s ASN 21 Ca 0.66 -0.03 0.04 0.00 0.21 0.00 0.00 52.86 53.74 2yxf s ASN 21 Cb -0.19 -0.08 -0.00 0.00 -0.55 0.00 0.00 41.25 40.43 2yxf s ASN 21 CO 0.23 -0.02 -0.21 -0.36 -2.79 0.00 0.00 177.10 173.95 2yxf s PHE 22 N 0.33 2.13 -0.19 0.43 0.08 0.27 -0.73 117.98 120.31 2yxf s PHE 22 Ca -0.03 -0.74 -0.19 0.00 0.12 0.00 0.00 56.93 56.09 2yxf s PHE 22 Cb -0.05 -1.43 -0.03 0.00 -0.57 0.00 0.00 43.02 40.93 2yxf s PHE 22 CO -0.01 -0.28 0.53 -1.17 -0.10 0.00 0.00 175.22 174.19 2yxf s LEU 23 N 0.19 4.17 -0.05 -0.37 2.96 -0.30 -1.49 118.68 123.78 2yxf s LEU 23 Ca -0.10 0.72 0.06 0.00 -0.22 0.00 0.00 54.13 54.58 2yxf s LEU 23 Cb -0.15 -2.73 -0.02 0.00 0.50 0.00 0.00 46.19 43.79 2yxf s LEU 23 CO 0.05 -0.17 -0.21 0.20 -1.32 0.00 0.00 176.35 174.90 2yxf s ASN 24 N 1.08 3.42 -0.20 3.68 -0.87 0.43 -1.93 114.94 120.55 2yxf s ASN 24 Ca 0.25 -0.39 0.01 0.00 -1.57 0.00 0.00 52.86 51.17 2yxf s ASN 24 Cb -0.15 -0.70 0.04 0.00 -0.02 0.00 0.00 41.25 40.41 2yxf s ASN 24 CO 0.10 0.30 -0.13 0.00 -2.57 0.00 0.00 177.10 174.80 2yxf s TYR 26 N 1.31 3.13 -0.25 0.00 5.04 0.32 -1.25 117.35 125.66 2yxf s TYR 26 Ca -0.01 -0.71 -0.01 0.00 -2.44 0.00 0.00 57.07 53.90 2yxf s TYR 26 Cb -0.16 -2.27 0.03 0.00 0.35 0.00 0.00 41.96 39.91 2yxf s TYR 26 CO -0.09 -0.48 -0.07 0.08 -1.34 0.00 0.00 175.55 173.64 2yxf s VAL 27 N 1.56 2.73 0.05 3.14 1.01 0.09 -1.25 120.40 127.73 2yxf s VAL 27 Ca 0.04 -1.11 0.05 0.00 0.00 0.00 0.00 61.98 60.96 2yxf s VAL 27 Cb -0.16 -2.40 -0.02 0.00 0.00 0.00 0.00 36.38 33.79 2yxf s VAL 27 CO 0.04 0.18 -0.14 -0.94 0.00 0.00 0.00 175.10 174.24 2yxf s SER 28 N 1.29 1.64 -0.75 3.32 1.04 0.17 -0.43 113.70 119.99 2yxf s SER 28 Ca -0.01 -0.53 0.00 0.00 0.48 0.00 0.00 55.95 55.90 2yxf s SER 28 Cb -0.17 -0.08 0.00 0.00 0.10 0.00 0.00 66.02 65.87 2yxf s SER 28 CO -0.05 -0.02 0.00 0.61 0.98 0.00 0.00 173.24 174.76 2yxf n GLY 29 N 1.62 0.06 3.92 7.32 0.00 0.15 -1.33 105.19 116.93 2yxf n GLY 29 Ca -0.19 -0.53 -0.28 0.00 0.00 0.00 0.00 46.02 45.02 2yxf n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2yxf s PHE 30 N -2.43 3.45 -0.24 1.61 -0.71 -0.83 -4.67 117.98 114.16 2yxf s PHE 30 Ca 0.00 0.14 -0.22 0.00 -1.04 0.00 0.00 56.93 55.81 2yxf s PHE 30 Cb 0.00 -1.67 0.06 0.00 -1.21 0.00 0.00 43.02 40.20 2yxf s PHE 30 CO 0.00 0.54 0.64 -1.58 -1.34 0.00 0.00 175.22 173.47 2yxf s HIS 31 N -1.67 -0.72 1.15 3.49 2.46 -0.90 -1.38 115.29 117.73 2yxf s HIS 31 Ca 0.34 1.72 -0.15 0.00 0.47 0.00 0.00 55.06 57.44 2yxf s HIS 31 Cb -0.11 0.26 0.26 0.00 -0.13 0.00 0.00 32.58 32.86 2yxf s HIS 31 CO 0.28 -0.35 1.05 -1.25 -2.47 0.00 0.00 174.74 172.00 2yxf s PRO 32 N 0.42 -0.80 0.50 2.88 0.04 -1.26 -0.61 135.00 136.17 2yxf s PRO 32 Ca -0.01 0.44 0.30 0.00 0.04 0.00 0.00 61.00 61.77 2yxf s PRO 32 Cb -0.05 -1.60 1.01 0.00 0.04 0.00 0.00 34.50 33.91 2yxf s PRO 32 CO -0.00 -3.54 1.85 0.66 0.04 0.00 0.00 177.00 176.01 2yxf h SER 33 N -2.47 0.00 -2.19 6.66 4.64 -1.97 -3.45 113.55 114.77 2yxf h SER 33 Ca -0.54 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.18 2yxf h SER 33 Cb 1.33 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 63.48 2yxf h SER 33 CO 0.48 0.00 0.75 0.47 -0.87 0.00 0.00 176.83 177.66 2yxf n ASP 34 N -3.04 2.89 -3.51 4.97 9.92 -1.26 -4.94 116.55 121.58 2yxf n ASP 34 Ca 0.02 1.09 -0.10 0.00 -0.53 0.00 0.00 54.79 55.27 2yxf n ASP 34 Cb 0.38 -1.39 -0.03 0.00 -0.64 0.00 0.00 41.12 39.43 2yxf n ASP 34 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 2yxf s ILE 35 N 0.85 0.00 -0.07 0.53 2.07 -1.26 -4.67 121.20 118.65 2yxf s ILE 35 Ca 0.80 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 60.06 2yxf s ILE 35 Cb -0.72 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 40.89 2yxf s ILE 35 CO 0.39 0.00 -0.11 -0.70 -1.91 0.00 0.00 174.94 172.61 2yxf s GLU 36 N -2.61 1.63 -0.03 3.50 2.12 -0.61 -5.01 118.70 117.69 2yxf s GLU 36 Ca 0.02 -0.38 0.00 0.00 0.36 0.00 0.00 54.97 54.96 2yxf s GLU 36 Cb -0.01 -1.37 0.03 0.00 0.26 0.00 0.00 34.13 33.04 2yxf s GLU 36 CO -0.06 0.01 0.01 0.08 -0.54 0.00 0.00 175.26 174.76 2yxf s VAL 37 N 0.72 0.17 0.06 3.70 1.01 -1.26 -0.82 120.40 123.99 2yxf s VAL 37 Ca -0.14 0.12 0.05 0.00 0.00 0.00 0.00 61.98 62.01 2yxf s VAL 37 Cb -0.16 -0.29 -0.03 0.00 0.00 0.00 0.00 36.38 35.91 2yxf s VAL 37 CO 0.03 0.16 -0.14 -1.81 0.00 0.00 0.00 175.10 173.34 2yxf s ASP 38 N 1.21 1.60 0.07 3.32 1.01 -0.23 -4.99 116.67 118.67 2yxf s ASP 38 Ca -0.07 -0.58 -0.14 0.00 0.71 0.00 0.00 52.55 52.46 2yxf s ASP 38 Cb -0.13 -0.05 -0.06 0.00 1.01 0.00 0.00 42.92 43.68 2yxf s ASP 38 CO -0.02 -0.07 0.47 -0.76 0.21 0.00 0.00 175.17 175.00 2yxf s LEU 39 N -1.62 4.42 -0.00 1.23 1.43 -1.26 -0.48 118.68 122.39 2yxf s LEU 39 Ca -0.02 1.00 0.08 0.00 -1.03 0.00 0.00 54.13 54.16 2yxf s LEU 39 Cb -0.10 -2.90 -0.02 0.00 0.03 0.00 0.00 46.19 43.20 2yxf s LEU 39 CO 0.02 0.22 -0.26 -0.76 0.23 0.00 0.00 176.35 175.80 2yxf s LEU 40 N -1.51 2.08 -0.19 1.79 1.43 0.58 -0.55 118.68 122.32 2yxf s LEU 40 Ca 0.30 -0.50 0.01 0.00 -1.03 0.00 0.00 54.13 52.92 2yxf s LEU 40 Cb -0.16 -1.32 0.03 0.00 0.03 0.00 0.00 46.19 44.77 2yxf s LEU 40 CO 0.17 0.30 -0.16 -0.75 0.23 0.00 0.00 176.35 176.14 2yxf s LYS 41 N -0.78 2.64 -1.55 1.70 2.20 0.10 -1.62 119.74 122.44 2yxf s LYS 41 Ca 0.10 -0.90 -0.11 0.00 -0.36 0.00 0.00 55.97 54.71 2yxf s LYS 41 Cb -0.10 -2.55 0.09 0.00 -1.51 0.00 0.00 37.83 33.75 2yxf s LYS 41 CO -0.00 -0.31 0.75 0.09 -0.36 0.00 0.00 175.35 175.52 2yxf n ASN 42 N 4.61 -2.87 0.00 1.43 3.02 0.14 -1.35 115.26 120.24 2yxf n ASN 42 Ca -0.18 -0.92 0.00 0.00 -0.03 0.00 0.00 54.58 53.44 2yxf n ASN 42 Cb 0.48 -3.28 0.00 0.00 -0.61 0.00 0.00 39.78 36.37 2yxf n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2yxf n GLY 43 N -1.64 1.83 3.77 7.41 0.00 -1.26 -5.01 105.19 110.28 2yxf n GLY 43 Ca -0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 2yxf n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2yxf s GLU 44 N -0.03 3.76 0.20 1.61 0.41 -0.46 -5.02 118.70 119.18 2yxf s GLU 44 Ca 0.00 -0.21 -0.32 0.00 -0.41 0.00 0.00 54.97 54.03 2yxf s GLU 44 Cb 0.00 -3.25 -0.12 0.00 -1.78 0.00 0.00 34.13 28.98 2yxf s GLU 44 CO 0.00 0.52 1.73 0.50 -0.49 0.00 0.00 175.26 177.52 2yxf s ARG 45 N -0.30 4.13 -0.35 1.61 3.52 -1.26 -0.72 118.95 125.58 2yxf s ARG 45 Ca 0.11 2.60 -0.29 0.00 -0.13 0.00 0.00 55.73 58.02 2yxf s ARG 45 Cb -0.12 -3.11 0.02 0.00 -1.56 0.00 0.00 34.95 30.19 2yxf s ARG 45 CO 0.01 -0.76 1.09 0.42 -0.81 0.00 0.00 175.30 175.25 2yxf s ILE 46 N 1.27 4.46 0.12 4.11 1.01 0.29 -4.86 121.20 127.59 2yxf s ILE 46 Ca 0.75 1.65 -0.08 0.00 0.00 0.00 0.00 60.65 62.97 2yxf s ILE 46 Cb -0.49 -4.45 -0.18 0.00 0.01 0.00 0.00 42.46 37.35 2yxf s ILE 46 CO 0.32 -0.57 1.30 -0.33 0.00 0.00 0.00 174.94 175.66 2yxf h GLU 47 N 8.29 0.58 -4.63 2.79 5.08 -1.92 -3.40 114.58 121.36 2yxf h GLU 47 Ca -0.21 -0.56 -0.71 0.00 -1.00 0.00 0.00 59.36 56.88 2yxf h GLU 47 Cb 1.06 0.14 -0.20 0.00 0.50 0.00 0.00 28.75 30.25 2yxf h GLU 47 CO 1.05 1.18 -0.06 0.21 -1.00 0.00 0.00 179.01 180.38 2yxf s LYS 48 N -3.46 3.05 -0.23 2.33 2.20 -1.26 -5.01 119.74 117.36 2yxf s LYS 48 Ca -0.08 -1.20 0.01 0.00 -0.36 0.00 0.00 55.97 54.34 2yxf s LYS 48 Cb 0.09 -4.17 0.04 0.00 -1.51 0.00 0.00 37.83 32.28 2yxf s LYS 48 CO 0.89 -1.26 -0.13 0.08 -0.36 0.00 0.00 175.35 174.57 2yxf s VAL 49 N 2.27 2.30 0.35 4.02 1.01 -1.26 -4.96 120.40 124.13 2yxf s VAL 49 Ca 0.10 -1.27 0.08 0.00 0.00 0.00 0.00 61.98 60.89 2yxf s VAL 49 Cb -0.23 -2.19 0.11 0.00 0.00 0.00 0.00 36.38 34.07 2yxf s VAL 49 CO 0.08 0.20 1.83 -0.33 0.00 0.00 0.00 175.10 176.89 2yxf h GLU 50 N 7.88 0.24 -4.15 2.72 5.08 -1.94 -3.44 114.58 120.97 2yxf h GLU 50 Ca -0.31 -0.07 -0.42 0.00 -1.00 0.00 0.00 59.36 57.55 2yxf h GLU 50 Cb 1.09 -0.02 -0.33 0.00 0.50 0.00 0.00 28.75 29.98 2yxf h GLU 50 CO 0.55 0.47 -0.78 -1.01 -1.00 0.00 0.00 179.01 177.23 2yxf s HIS 51 N -4.50 0.87 -0.32 4.33 3.76 -0.53 -5.03 115.29 113.86 2yxf s HIS 51 Ca -0.05 -0.26 -0.01 0.00 -0.15 0.00 0.00 55.06 54.59 2yxf s HIS 51 Cb 0.15 -0.72 0.13 0.00 1.11 0.00 0.00 32.58 33.24 2yxf s HIS 51 CO 0.75 -0.19 0.22 0.45 -0.85 0.00 0.00 174.74 175.12 2yxf s SER 52 N 0.79 2.63 -0.31 1.40 0.15 -1.26 -1.10 113.70 116.01 2yxf s SER 52 Ca -0.12 -1.44 -0.06 0.00 0.70 0.00 0.00 55.95 55.03 2yxf s SER 52 Cb -0.14 -0.04 0.02 0.00 -1.71 0.00 0.00 66.02 64.15 2yxf s SER 52 CO 0.01 -0.37 0.07 -1.81 1.20 0.00 0.00 173.24 172.34 2yxf s ASP 53 N 1.80 5.10 -0.10 5.45 1.01 0.09 -4.96 116.67 125.06 2yxf s ASP 53 Ca 0.13 -0.88 -0.04 0.00 0.71 0.00 0.00 52.55 52.47 2yxf s ASP 53 Cb -0.17 -1.85 -0.04 0.00 1.01 0.00 0.00 42.92 41.87 2yxf s ASP 53 CO -0.21 -0.23 0.04 -0.22 0.21 0.00 0.00 175.17 174.75 2yxf s LEU 54 N 1.44 3.78 0.23 1.23 2.96 -1.26 -1.13 118.68 125.93 2yxf s LEU 54 Ca 0.01 0.20 -0.08 0.00 -0.22 0.00 0.00 54.13 54.05 2yxf s LEU 54 Cb -0.18 -1.89 -0.02 0.00 0.50 0.00 0.00 46.19 44.60 2yxf s LEU 54 CO 0.02 0.36 0.33 -0.94 -1.32 0.00 0.00 176.35 174.80 2yxf s SER 55 N -0.76 0.04 0.05 3.68 1.04 0.05 -5.00 113.70 112.80 2yxf s SER 55 Ca 0.12 -1.13 0.00 0.00 0.48 0.00 0.00 55.95 55.42 2yxf s SER 55 Cb -0.12 0.50 -0.03 0.00 0.10 0.00 0.00 66.02 66.47 2yxf s SER 55 CO 0.02 -1.02 -0.04 0.72 0.98 0.00 0.00 173.24 173.90 2yxf s PHE 56 N -4.05 0.58 0.00 5.02 -0.71 -1.26 -0.73 117.98 116.82 2yxf s PHE 56 Ca 0.30 -0.85 0.00 0.00 -1.04 0.00 0.00 56.93 55.34 2yxf s PHE 56 Cb 0.02 -0.38 0.00 0.00 -1.21 0.00 0.00 43.02 41.45 2yxf s PHE 56 CO 0.11 -0.25 0.00 -1.13 -1.34 0.00 0.00 175.22 172.61 2yxf n SER 57 N 0.55 0.00 -4.69 1.98 3.41 -0.53 -4.99 113.62 109.35 2yxf n SER 57 Ca -0.17 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.13 2yxf n SER 57 Cb 0.59 0.00 0.14 0.00 -0.26 0.00 0.00 64.21 64.68 2yxf n SER 57 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2yxf s LYS 58 N 0.20 1.39 0.65 4.33 -0.14 -1.26 -4.89 119.74 120.01 2yxf s LYS 58 Ca 0.00 1.56 0.43 0.00 -1.36 0.00 0.00 55.97 56.60 2yxf s LYS 58 Cb 0.00 -1.77 2.35 0.00 -1.68 0.00 0.00 37.83 36.74 2yxf s LYS 58 CO 0.00 -2.36 2.33 -0.44 -0.76 0.00 0.00 175.35 174.12 2yxf h ASP 59 N -1.46 0.00 -0.23 2.83 3.32 -2.03 -1.93 116.42 116.92 2yxf h ASP 59 Ca -0.44 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.57 2yxf h ASP 59 Cb 1.27 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.80 2yxf h ASP 59 CO 0.44 0.00 -0.02 -2.67 -1.72 0.00 0.00 179.24 175.27 2yxf n TRP 60 N -3.03 0.80 -3.75 4.55 2.14 -1.26 -4.91 117.44 111.97 2yxf n TRP 60 Ca -0.03 -1.04 -0.28 0.00 2.07 0.00 0.00 57.50 58.22 2yxf n TRP 60 Cb 0.07 -0.32 -0.16 0.00 -0.81 0.00 0.00 31.31 30.09 2yxf n TRP 60 CO 0.00 0.00 0.00 0.45 2.07 0.00 0.00 177.69 180.21 2yxf s SER 61 N -2.23 2.95 0.16 -0.67 0.15 -0.73 -4.46 113.70 108.88 2yxf s SER 61 Ca 0.41 -0.83 0.05 0.00 0.70 0.00 0.00 55.95 56.28 2yxf s SER 61 Cb 0.34 -0.63 -0.04 0.00 -1.71 0.00 0.00 66.02 63.98 2yxf s SER 61 CO 0.06 -0.30 0.11 -0.36 1.20 0.00 0.00 173.24 173.95 2yxf s PHE 62 N 1.83 3.11 -0.01 3.44 0.08 -0.48 -1.45 117.98 124.50 2yxf s PHE 62 Ca -0.01 -0.03 0.00 0.00 0.12 0.00 0.00 56.93 57.01 2yxf s PHE 62 Cb -0.17 -1.50 0.02 0.00 -0.57 0.00 0.00 43.02 40.80 2yxf s PHE 62 CO -0.08 0.52 0.01 0.71 -0.10 0.00 0.00 175.22 176.28 2yxf s TYR 63 N -1.72 0.08 -0.08 0.36 2.02 0.09 -0.67 117.35 117.42 2yxf s TYR 63 Ca 0.30 0.06 0.01 0.00 -0.37 0.00 0.00 57.07 57.08 2yxf s TYR 63 Cb -0.10 -0.20 0.02 0.00 -0.40 0.00 0.00 41.96 41.28 2yxf s TYR 63 CO 0.23 -0.07 -0.11 -1.17 -1.57 0.00 0.00 175.55 172.86 2yxf s LEU 64 N 0.70 1.51 -0.25 -1.29 2.96 0.43 -0.77 118.68 121.97 2yxf s LEU 64 Ca -0.06 -0.30 -0.06 0.00 -0.22 0.00 0.00 54.13 53.49 2yxf s LEU 64 Cb -0.09 -0.83 -0.01 0.00 0.50 0.00 0.00 46.19 45.76 2yxf s LEU 64 CO -0.02 -0.01 0.03 -0.22 -1.32 0.00 0.00 176.35 174.81 2yxf s LEU 65 N 0.99 3.35 -0.22 -0.68 2.96 -0.29 -0.73 118.68 124.06 2yxf s LEU 65 Ca -0.08 -0.40 0.01 0.00 -0.22 0.00 0.00 54.13 53.43 2yxf s LEU 65 Cb -0.15 -1.85 0.05 0.00 0.50 0.00 0.00 46.19 44.75 2yxf s LEU 65 CO -0.00 -0.07 -0.09 -0.47 -1.32 0.00 0.00 176.35 174.40 2yxf s TYR 66 N 1.54 2.61 0.06 5.38 5.04 -0.38 -0.73 117.35 130.87 2yxf s TYR 66 Ca 0.05 -1.80 -0.18 0.00 -2.44 0.00 0.00 57.07 52.70 2yxf s TYR 66 Cb -0.15 -1.69 0.04 0.00 0.35 0.00 0.00 41.96 40.50 2yxf s TYR 66 CO 0.01 -0.78 0.41 1.52 -1.34 0.00 0.00 175.55 175.37 2yxf s TYR 67 N 1.33 -0.25 0.07 4.97 1.13 -0.26 -0.46 117.35 123.87 2yxf s TYR 67 Ca -0.04 0.16 -0.26 0.00 -1.41 0.00 0.00 57.07 55.52 2yxf s TYR 67 Cb -0.18 0.23 0.08 0.00 -1.10 0.00 0.00 41.96 40.99 2yxf s TYR 67 CO -0.07 -0.60 0.69 -0.08 -2.51 0.00 0.00 175.55 172.98 2yxf s THR 68 N -2.74 0.00 0.38 -3.49 -1.32 -0.81 -1.46 115.64 106.20 2yxf s THR 68 Ca -0.04 0.00 -0.27 0.00 -1.21 0.00 0.00 61.69 60.17 2yxf s THR 68 Cb -0.00 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 69.89 2yxf s THR 68 CO -0.04 0.00 1.31 -0.70 -2.21 0.00 0.00 174.62 172.98 2yxf s GLU 69 N -2.92 4.10 0.20 7.08 2.12 -1.26 -1.16 118.70 126.86 2yxf s GLU 69 Ca -0.01 2.19 -0.09 0.00 0.36 0.00 0.00 54.97 57.41 2yxf s GLU 69 Cb -0.01 -2.86 -0.01 0.00 0.26 0.00 0.00 34.13 31.51 2yxf s GLU 69 CO -0.06 -0.40 0.33 -0.59 -0.54 0.00 0.00 175.26 174.00 2yxf s PHE 70 N -1.22 0.47 -0.51 5.30 -0.00 0.09 -4.83 117.98 117.29 2yxf s PHE 70 Ca 0.54 -0.82 0.04 0.00 -0.00 0.00 0.00 56.93 56.70 2yxf s PHE 70 Cb -0.39 -0.03 0.16 0.00 -0.00 0.00 0.00 43.02 42.77 2yxf s PHE 70 CO 0.51 -0.80 0.37 0.99 -0.00 0.00 0.00 175.22 176.29 2yxf s THR 71 N -4.01 1.27 0.35 -4.49 2.01 -1.26 -4.25 115.64 105.26 2yxf s THR 71 Ca 0.22 -3.13 -0.27 0.00 0.31 0.00 0.00 61.69 58.81 2yxf s THR 71 Cb 0.02 -1.86 -0.09 0.00 0.01 0.00 0.00 72.50 70.58 2yxf s THR 71 CO 0.04 -1.12 1.21 -2.16 -0.69 0.00 0.00 174.62 171.91 2yxf s PRO 72 N -0.36 4.29 0.34 4.92 0.04 -1.26 -5.05 135.00 137.92 2yxf s PRO 72 Ca 0.28 1.98 0.09 0.00 0.04 0.00 0.00 61.00 63.39 2yxf s PRO 72 Cb -0.03 -2.94 -0.05 0.00 0.04 0.00 0.00 34.50 31.52 2yxf s PRO 72 CO -0.16 -0.15 0.06 0.95 0.04 0.00 0.00 177.00 177.74 2yxf s THR 73 N -1.25 2.79 0.56 1.26 -4.23 -1.26 -5.03 115.64 108.48 2yxf s THR 73 Ca 0.51 -1.86 0.25 0.00 -1.18 0.00 0.00 61.69 59.41 2yxf s THR 73 Cb -0.35 -2.87 0.32 0.00 1.34 0.00 0.00 72.50 70.95 2yxf s THR 73 CO 0.45 -0.20 2.21 -0.33 -0.54 0.00 0.00 174.62 176.21 2yxf h GLU 74 N 1.71 0.00 0.02 3.99 4.39 -2.04 -3.01 114.58 119.64 2yxf h GLU 74 Ca -0.43 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.00 2yxf h GLU 74 Cb 1.25 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.87 2yxf h GLU 74 CO 0.65 0.01 -1.41 1.57 -1.16 0.00 0.00 179.01 178.67 2yxf h LYS 75 N 0.00 0.05 -6.98 2.33 -0.00 -2.02 -3.47 116.57 106.47 2yxf h LYS 75 Ca -0.00 -0.08 -0.47 0.00 -0.00 0.00 0.00 60.65 60.09 2yxf h LYS 75 Cb 0.02 0.03 0.01 0.00 -0.00 0.00 0.00 32.23 32.29 2yxf h LYS 75 CO 0.00 0.81 0.39 -0.51 -0.00 0.00 0.00 179.45 180.14 2yxf s ASP 76 N -6.50 6.77 -0.12 7.07 1.01 -1.14 -5.05 116.67 118.70 2yxf s ASP 76 Ca -0.04 1.96 -0.00 0.00 0.71 0.00 0.00 52.55 55.18 2yxf s ASP 76 Cb 0.09 -2.58 -0.02 0.00 1.01 0.00 0.00 42.92 41.42 2yxf s ASP 76 CO 0.83 -0.48 -0.12 -1.83 0.21 0.00 0.00 175.17 173.77 2yxf s GLU 77 N -2.65 3.30 0.16 8.23 -1.05 -1.26 -4.83 118.70 120.60 2yxf s GLU 77 Ca 0.59 -0.66 0.09 0.00 -0.15 0.00 0.00 54.97 54.84 2yxf s GLU 77 Cb -0.19 -2.63 -0.04 0.00 -0.44 0.00 0.00 34.13 30.82 2yxf s GLU 77 CO 0.24 0.28 -0.13 0.71 0.95 0.00 0.00 175.26 177.30 2yxf s TYR 78 N 0.19 2.57 0.25 4.83 2.02 -1.26 0.23 117.35 126.19 2yxf s TYR 78 Ca -0.07 -0.24 -0.18 0.00 -0.37 0.00 0.00 57.07 56.20 2yxf s TYR 78 Cb -0.15 -1.29 0.02 0.00 -0.40 0.00 0.00 41.96 40.14 2yxf s TYR 78 CO 0.05 0.48 0.62 0.00 -1.57 0.00 0.00 175.55 175.12 2yxf s ALA 79 N -1.54 -0.95 -0.08 3.71 0.00 -0.64 -0.47 121.76 121.79 2yxf s ALA 79 Ca 0.23 -0.39 0.05 0.00 0.00 0.00 0.00 51.96 51.85 2yxf s ALA 79 Cb -0.09 0.91 -0.00 0.00 0.00 0.00 0.00 23.12 23.93 2yxf s ALA 79 CO 0.13 -0.94 -0.23 0.00 0.00 0.00 0.00 175.76 174.72 2yxf s ARG 81 N 0.13 3.25 -0.06 0.00 3.52 0.37 -0.77 118.95 125.38 2yxf s ARG 81 Ca -0.11 -0.75 0.04 0.00 -0.13 0.00 0.00 55.73 54.78 2yxf s ARG 81 Cb -0.16 -2.57 0.00 0.00 -1.56 0.00 0.00 34.95 30.67 2yxf s ARG 81 CO 0.06 0.12 -0.18 0.08 -0.81 0.00 0.00 175.30 174.57 2yxf s VAL 82 N 0.55 1.57 -0.07 7.11 1.01 0.17 -1.06 120.40 129.68 2yxf s VAL 82 Ca -0.10 -0.76 0.03 0.00 0.00 0.00 0.00 61.98 61.15 2yxf s VAL 82 Cb -0.16 -1.37 -0.02 0.00 0.00 0.00 0.00 36.38 34.83 2yxf s VAL 82 CO 0.04 0.45 -0.16 0.20 0.00 0.00 0.00 175.10 175.63 2yxf s ASN 83 N 0.26 3.83 0.03 3.32 0.01 0.00 -1.06 114.94 121.34 2yxf s ASN 83 Ca -0.11 -0.28 -0.25 0.00 -0.71 0.00 0.00 52.86 51.52 2yxf s ASN 83 Cb -0.15 -0.97 0.06 0.00 0.41 0.00 0.00 41.25 40.60 2yxf s ASN 83 CO 0.04 0.29 0.57 -2.28 -1.51 0.00 0.00 177.10 174.21 2yxf s HIS 84 N -0.42 -0.50 0.57 2.20 2.46 -1.26 -1.58 115.29 116.77 2yxf s HIS 84 Ca 0.05 0.64 0.27 0.00 0.47 0.00 0.00 55.06 56.48 2yxf s HIS 84 Cb -0.12 0.38 1.63 0.00 -0.13 0.00 0.00 32.58 34.33 2yxf s HIS 84 CO 0.02 -0.65 2.15 -0.39 -2.47 0.00 0.00 174.74 173.40 2yxf h VAL 85 N 2.80 0.59 0.00 0.89 -1.51 -1.95 -0.59 116.25 116.48 2yxf h VAL 85 Ca -0.30 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.17 2yxf h VAL 85 Cb 1.20 0.90 0.00 0.00 -2.13 0.00 0.00 31.29 31.27 2yxf h VAL 85 CO 0.40 0.00 0.00 0.35 -1.23 0.00 0.00 177.57 177.09 2yxf n THR 86 N -3.98 0.30 -3.82 7.19 -2.24 -1.26 -4.68 114.28 105.80 2yxf n THR 86 Ca 0.00 0.08 -0.36 0.00 -2.27 0.00 0.00 64.05 61.49 2yxf n THR 86 Cb 0.24 -0.65 -0.13 0.00 -2.10 0.00 0.00 70.33 67.68 2yxf n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2yxf s LEU 87 N -3.00 4.16 0.44 3.22 1.43 -0.23 -4.97 118.68 119.73 2yxf s LEU 87 Ca 0.12 -1.23 0.21 0.00 -1.03 0.00 0.00 54.13 52.20 2yxf s LEU 87 Cb 0.16 -1.80 1.02 0.00 0.03 0.00 0.00 46.19 45.60 2yxf s LEU 87 CO 0.45 -0.31 1.91 0.77 0.23 0.00 0.00 176.35 179.40 2yxf h SER 88 N 8.12 0.00 -3.73 2.29 4.64 -1.83 -3.42 113.55 119.62 2yxf h SER 88 Ca -0.22 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.53 2yxf h SER 88 Cb 1.07 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 62.97 2yxf h SER 88 CO 0.57 0.25 -0.81 -1.10 -0.87 0.00 0.00 176.83 174.88 2yxf s GLN 89 N -4.03 1.27 0.31 4.77 -0.21 -1.26 -5.11 119.66 115.41 2yxf s GLN 89 Ca -0.02 -1.34 -0.29 0.00 0.02 0.00 0.00 55.36 53.73 2yxf s GLN 89 Cb 0.13 -1.48 -0.12 0.00 1.00 0.00 0.00 33.01 32.54 2yxf s GLN 89 CO 0.65 0.32 1.34 -2.30 -2.12 0.00 0.00 175.29 173.18 2yxf n PRO 90 N 0.59 2.15 -3.55 2.91 -0.02 -1.26 -4.93 135.00 130.89 2yxf n PRO 90 Ca -0.15 0.76 -0.38 0.00 -2.02 0.00 0.00 63.50 61.71 2yxf n PRO 90 Cb 0.55 -2.37 -0.09 0.00 -0.02 0.00 0.00 33.50 31.57 2yxf n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2yxf s LYS 91 N -1.45 4.06 -0.21 -0.52 2.20 -0.22 -4.92 119.74 118.67 2yxf s LYS 91 Ca 0.59 -0.14 -0.03 0.00 -0.36 0.00 0.00 55.97 56.03 2yxf s LYS 91 Cb -0.58 -3.58 -0.00 0.00 -1.51 0.00 0.00 37.83 32.15 2yxf s LYS 91 CO 0.58 -0.07 -0.06 0.42 -0.36 0.00 0.00 175.35 175.86 2yxf s ILE 92 N 1.43 3.19 -0.25 5.43 1.01 -1.26 -0.66 121.20 130.09 2yxf s ILE 92 Ca 0.11 -0.56 -0.03 0.00 0.00 0.00 0.00 60.65 60.17 2yxf s ILE 92 Cb -0.15 -2.44 0.02 0.00 0.01 0.00 0.00 42.46 39.90 2yxf s ILE 92 CO 0.07 0.44 -0.04 -0.69 0.00 0.00 0.00 174.94 174.72 2yxf s VAL 93 N 1.45 3.10 0.35 2.92 1.01 0.05 -4.96 120.40 124.32 2yxf s VAL 93 Ca 0.06 -0.87 -0.26 0.00 0.00 0.00 0.00 61.98 60.91 2yxf s VAL 93 Cb -0.14 -2.54 -0.09 0.00 0.00 0.00 0.00 36.38 33.61 2yxf s VAL 93 CO -0.05 0.24 1.03 -0.54 0.00 0.00 0.00 175.10 175.78 2yxf s LYS 94 N 1.38 4.38 -0.08 2.72 1.02 -1.26 -0.88 119.74 127.02 2yxf s LYS 94 Ca 0.02 1.52 -0.30 0.00 0.02 0.00 0.00 55.97 57.23 2yxf s LYS 94 Cb -0.16 -2.76 -0.03 0.00 -0.52 0.00 0.00 37.83 34.36 2yxf s LYS 94 CO -0.04 0.05 1.23 -0.46 -0.92 0.00 0.00 175.35 175.21 2yxf s TRP 95 N -1.53 3.08 -0.10 3.18 -0.00 0.38 -4.87 118.94 119.08 2yxf s TRP 95 Ca 0.53 1.14 -0.30 0.00 -0.00 0.00 0.00 56.10 57.47 2yxf s TRP 95 Cb -0.23 -3.45 -0.02 0.00 -0.00 0.00 0.00 33.47 29.76 2yxf s TRP 95 CO 0.29 -1.47 1.20 0.34 -0.00 0.00 0.00 176.95 177.32 2yxf s ASP 96 N 1.63 7.03 0.60 5.86 -1.08 -1.26 -4.73 116.67 124.72 2yxf s ASP 96 Ca 0.56 1.75 0.32 0.00 -0.52 0.00 0.00 52.55 54.66 2yxf s ASP 96 Cb -0.24 -2.55 1.88 0.00 -1.46 0.00 0.00 42.92 40.55 2yxf s ASP 96 CO 0.20 -0.63 2.26 0.03 0.52 0.00 0.00 175.17 177.55 2yxf h ARG 97 N 7.64 0.00 -0.03 4.34 3.08 -1.98 -3.47 114.38 123.97 2yxf h ARG 97 Ca -0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.74 2yxf h ARG 97 Cb 1.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.19 2yxf h ARG 97 CO 0.91 0.01 0.00 -0.25 -1.07 0.00 0.00 179.97 179.57