#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yhq s TRP 2 N 0.00 3.77 0.34 0.66 1.48 -1.26 -5.07 118.94 118.87 1yhq s TRP 2 Ca 0.00 1.44 -0.11 0.00 -1.06 0.00 0.00 56.10 56.38 1yhq s TRP 2 Cb 0.00 -2.64 -0.07 0.00 -1.16 0.00 0.00 33.47 29.60 1yhq s TRP 2 CO 0.00 0.45 0.70 -0.51 -4.06 0.00 0.00 176.95 173.53 1yhq s ASP 3 N -1.37 6.59 -0.07 -2.66 1.01 -1.26 -5.03 116.67 113.88 1yhq s ASP 3 Ca 0.38 1.08 -0.21 0.00 0.71 0.00 0.00 52.55 54.51 1yhq s ASP 3 Cb -0.19 -2.30 -0.16 0.00 1.01 0.00 0.00 42.92 41.28 1yhq s ASP 3 CO 0.22 -0.28 0.83 0.58 0.21 0.00 0.00 175.17 176.73 1yhq h VAL 4 N 1.47 0.96 -3.38 -1.27 2.07 -1.96 -3.40 116.25 110.74 1yhq h VAL 4 Ca -0.47 -1.29 -0.58 0.00 0.82 0.00 0.00 66.70 65.17 1yhq h VAL 4 Cb 1.18 1.66 -0.08 0.00 -1.52 0.00 0.00 31.29 32.53 1yhq h VAL 4 CO 0.65 0.27 0.07 -0.63 0.02 0.00 0.00 177.57 177.95 1yhq s ILE 5 N -3.18 5.05 -0.19 4.57 1.01 -1.26 -1.13 121.20 126.08 1yhq s ILE 5 Ca -0.13 1.25 -0.16 0.00 0.00 0.00 0.00 60.65 61.61 1yhq s ILE 5 Cb 0.00 -3.96 -0.12 0.00 0.01 0.00 0.00 42.46 38.39 1yhq s ILE 5 CO 0.49 0.19 -0.01 0.29 0.00 0.00 0.00 174.94 175.90 1yhq n LYS 6 N 4.39 0.52 -3.61 2.79 5.02 -0.23 -4.95 118.16 122.09 1yhq n LYS 6 Ca -0.02 0.52 -0.04 0.00 -2.02 0.00 0.00 58.31 56.75 1yhq n LYS 6 Cb 0.51 -1.69 -0.02 0.00 -0.02 0.00 0.00 35.03 33.80 1yhq n LYS 6 CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 1yhq s HIS 7 N -2.35 -0.10 0.25 2.13 -3.43 -1.10 -5.00 115.29 105.69 1yhq s HIS 7 Ca -0.24 0.06 -0.30 0.00 -0.80 0.00 0.00 55.06 53.79 1yhq s HIS 7 Cb 0.05 0.51 -0.10 0.00 -1.43 0.00 0.00 32.58 31.61 1yhq s HIS 7 CO 0.43 -0.15 1.37 -2.14 -2.00 0.00 0.00 174.74 172.26 1yhq s PRO 8 N -2.25 4.32 -0.56 -0.38 0.02 -1.26 -0.44 135.00 134.44 1yhq s PRO 8 Ca 0.10 2.21 -0.20 0.00 0.02 0.00 0.00 61.00 63.13 1yhq s PRO 8 Cb -0.01 -3.12 0.07 0.00 0.02 0.00 0.00 34.50 31.46 1yhq s PRO 8 CO -0.04 -0.32 0.74 -1.58 -0.33 0.00 0.00 177.00 175.47 1yhq s HIS 9 N -0.23 2.94 -0.44 6.54 2.46 0.05 -4.78 115.29 121.84 1yhq s HIS 9 Ca 0.56 -0.62 -0.08 0.00 0.47 0.00 0.00 55.06 55.39 1yhq s HIS 9 Cb -0.40 -3.88 0.10 0.00 -0.13 0.00 0.00 32.58 28.27 1yhq s HIS 9 CO 0.44 -1.26 0.28 0.54 -2.47 0.00 0.00 174.74 172.27 1yhq s VAL 10 N 3.03 3.99 0.13 0.89 0.11 -1.26 -4.58 120.40 122.71 1yhq s VAL 10 Ca 0.17 -1.71 -0.01 0.00 -2.93 0.00 0.00 61.98 57.50 1yhq s VAL 10 Cb -0.20 -3.58 -0.04 0.00 -1.53 0.00 0.00 36.38 31.03 1yhq s VAL 10 CO 0.11 -0.65 0.06 0.42 -3.33 0.00 0.00 175.10 171.70 1yhq s THR 11 N 1.33 0.10 0.20 5.04 -4.23 -1.26 -5.00 115.64 111.83 1yhq s THR 11 Ca 0.05 -1.90 -0.12 0.00 -1.18 0.00 0.00 61.69 58.54 1yhq s THR 11 Cb -0.24 -2.03 0.18 0.00 1.34 0.00 0.00 72.50 71.74 1yhq s THR 11 CO -0.01 -0.47 1.67 -0.33 -0.54 0.00 0.00 174.62 174.94 1yhq h GLU 12 N 2.87 0.10 -0.53 3.99 3.07 -2.00 0.27 114.58 122.35 1yhq h GLU 12 Ca -0.35 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 58.50 1yhq h GLU 12 Cb 1.20 -0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 29.06 1yhq h GLU 12 CO 0.59 0.07 0.32 -0.22 -1.40 0.00 0.00 179.01 178.37 1yhq h LYS 13 N 0.11 0.71 -0.59 2.33 3.64 -1.99 -1.40 116.57 119.38 1yhq h LYS 13 Ca 0.30 -0.06 -0.08 0.00 -1.27 0.00 0.00 60.65 59.54 1yhq h LYS 13 Cb 0.47 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 1yhq h LYS 13 CO -0.50 0.50 0.07 0.00 -2.27 0.00 0.00 179.45 177.25 1yhq h ALA 14 N 1.62 1.00 -0.41 5.00 0.00 -0.85 -2.67 119.26 122.95 1yhq h ALA 14 Ca 0.19 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1yhq h ALA 14 Cb -0.03 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1yhq h ALA 14 CO -0.04 0.63 0.05 0.52 0.00 0.00 0.00 179.25 180.41 1yhq h MET 15 N 0.91 0.69 -0.54 0.00 2.86 -0.05 -2.04 114.93 116.76 1yhq h MET 15 Ca 0.18 -0.20 0.05 0.00 -2.06 0.00 0.00 59.70 57.67 1yhq h MET 15 Cb 0.44 -0.08 -0.05 0.00 0.06 0.00 0.00 31.60 31.98 1yhq h MET 15 CO 0.02 0.74 0.28 -0.91 1.06 0.00 0.00 176.91 178.10 1yhq h ASN 16 N 0.53 0.41 -0.14 1.22 2.35 -1.22 0.23 115.58 118.96 1yhq h ASN 16 Ca 0.12 0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.90 1yhq h ASN 16 Cb 0.40 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.71 1yhq h ASN 16 CO 0.01 0.28 0.08 0.44 -1.65 0.00 0.00 177.43 176.59 1yhq h ASP 17 N 0.54 0.19 -0.02 5.81 5.19 -1.29 0.19 116.42 127.03 1yhq h ASP 17 Ca 0.24 -0.01 -0.03 0.00 -0.62 0.00 0.00 57.03 56.61 1yhq h ASP 17 Cb 0.14 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 39.60 1yhq h ASP 17 CO -0.16 0.16 -0.10 -0.03 -3.12 0.00 0.00 179.24 176.00 1yhq h MET 18 N 0.22 0.09 -0.08 3.56 4.05 -0.13 -1.18 114.93 121.47 1yhq h MET 18 Ca 0.06 -0.08 -0.07 0.00 -0.28 0.00 0.00 59.70 59.33 1yhq h MET 18 Cb 0.02 0.02 0.00 0.00 -0.80 0.00 0.00 31.60 30.84 1yhq h MET 18 CO -0.01 0.76 -0.23 -0.44 0.23 0.00 0.00 176.91 177.23 1yhq h ASP 19 N -0.55 0.33 0.79 1.39 3.32 -0.41 -3.12 116.42 118.17 1yhq h ASP 19 Ca -0.01 -0.61 -0.18 0.00 0.02 0.00 0.00 57.03 56.26 1yhq h ASP 19 Cb 0.79 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 40.21 1yhq h ASP 19 CO 0.02 0.88 -1.31 -0.26 -1.72 0.00 0.00 179.24 176.85 1yhq h PHE 20 N -0.20 0.00 0.00 4.55 0.05 -0.79 -3.41 116.94 117.15 1yhq h PHE 20 Ca -0.01 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.78 1yhq h PHE 20 Cb 0.85 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.80 1yhq h PHE 20 CO 0.12 0.64 0.00 1.04 -0.18 0.00 0.00 178.31 179.94 1yhq n GLN 21 N -2.97 1.82 -3.64 1.51 6.02 -0.65 -5.01 117.38 114.46 1yhq n GLN 21 Ca -0.09 -1.12 -0.26 0.00 -0.01 0.00 0.00 57.00 55.53 1yhq n GLN 21 Cb 0.86 -0.86 0.06 0.00 1.02 0.00 0.00 30.24 31.31 1yhq n GLN 21 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1yhq n ASN 22 N -0.32 -5.81 -4.50 1.08 5.15 -0.85 -4.77 115.26 105.24 1yhq n ASN 22 Ca 0.00 -0.59 -0.31 0.00 -0.60 0.00 0.00 54.58 53.09 1yhq n ASN 22 Cb 0.29 -4.60 -0.12 0.00 -0.53 0.00 0.00 39.78 34.82 1yhq n ASN 22 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1yhq s LYS 23 N -6.35 2.13 0.02 1.20 1.02 -0.54 -1.21 119.74 116.01 1yhq s LYS 23 Ca 0.58 -0.96 0.06 0.00 0.02 0.00 0.00 55.97 55.68 1yhq s LYS 23 Cb -0.27 -2.25 -0.03 0.00 -0.52 0.00 0.00 37.83 34.76 1yhq s LYS 23 CO 0.72 0.54 -0.17 -0.51 -0.92 0.00 0.00 175.35 175.01 1yhq s LEU 24 N -1.62 2.62 -0.07 3.17 1.43 0.15 -2.99 118.68 121.36 1yhq s LEU 24 Ca 0.16 -0.38 0.02 0.00 -1.03 0.00 0.00 54.13 52.91 1yhq s LEU 24 Cb -0.11 -1.53 -0.02 0.00 0.03 0.00 0.00 46.19 44.56 1yhq s LEU 24 CO 0.07 0.28 -0.13 -1.10 0.23 0.00 0.00 176.35 175.70 1yhq s GLN 25 N -1.27 2.76 0.09 1.70 -0.21 -1.26 -0.08 119.66 121.40 1yhq s GLN 25 Ca 0.14 -0.67 0.03 0.00 0.02 0.00 0.00 55.36 54.88 1yhq s GLN 25 Cb -0.10 -2.47 -0.04 0.00 1.00 0.00 0.00 33.01 31.39 1yhq s GLN 25 CO 0.04 0.53 -0.09 -0.06 -2.12 0.00 0.00 175.29 173.59 1yhq s PHE 26 N -0.47 0.97 -0.23 0.91 0.40 0.19 -0.77 117.98 118.98 1yhq s PHE 26 Ca 0.06 -0.70 -0.14 0.00 -0.60 0.00 0.00 56.93 55.55 1yhq s PHE 26 Cb -0.12 -0.54 -0.04 0.00 0.51 0.00 0.00 43.02 42.83 1yhq s PHE 26 CO 0.02 -0.04 0.32 0.00 0.70 0.00 0.00 175.22 176.21 1yhq s ALA 27 N -2.60 3.57 0.20 5.36 0.00 0.41 -0.49 121.76 128.21 1yhq s ALA 27 Ca 0.05 -0.71 0.04 0.00 0.00 0.00 0.00 51.96 51.34 1yhq s ALA 27 Cb -0.02 -2.56 -0.05 0.00 0.00 0.00 0.00 23.12 20.49 1yhq s ALA 27 CO -0.01 -0.36 -0.05 0.14 0.00 0.00 0.00 175.76 175.48 1yhq s VAL 28 N 1.42 1.15 0.14 0.00 -7.23 0.11 -1.07 120.40 114.92 1yhq s VAL 28 Ca 0.15 -2.06 -0.31 0.00 -1.81 0.00 0.00 61.98 57.94 1yhq s VAL 28 Cb -0.15 -2.16 -0.09 0.00 0.56 0.00 0.00 36.38 34.54 1yhq s VAL 28 CO 0.07 -0.48 1.57 -0.62 -0.31 0.00 0.00 175.10 175.33 1yhq s ASP 29 N -3.27 6.62 0.00 4.85 -1.08 -0.29 -2.89 116.67 120.62 1yhq s ASP 29 Ca 0.24 2.55 0.06 0.00 -0.52 0.00 0.00 52.55 54.89 1yhq s ASP 29 Cb 0.04 -2.59 0.37 0.00 -1.46 0.00 0.00 42.92 39.28 1yhq s ASP 29 CO 0.06 -0.82 0.83 -0.90 0.52 0.00 0.00 175.17 174.86 1yhq n ASP 30 N 4.34 0.00 -0.12 -0.34 5.75 -1.26 -0.52 116.55 124.40 1yhq n ASP 30 Ca 0.14 -0.20 0.11 0.00 -0.01 0.00 0.00 54.79 54.83 1yhq n ASP 30 Cb 0.39 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.49 1yhq n ASP 30 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1yhq n ARG 31 N -0.99 0.32 -2.88 0.11 1.74 -1.26 -4.94 116.66 108.75 1yhq n ARG 31 Ca 0.05 -0.25 -0.40 0.00 -0.77 0.00 0.00 57.85 56.48 1yhq n ARG 31 Cb 0.02 -1.49 -0.05 0.00 -1.02 0.00 0.00 32.46 29.91 1yhq n ARG 31 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1yhq s ALA 32 N -2.85 3.37 0.65 7.54 0.00 0.33 -5.07 121.76 125.72 1yhq s ALA 32 Ca 0.12 0.44 -0.02 0.00 0.00 0.00 0.00 51.96 52.50 1yhq s ALA 32 Cb 0.17 -3.08 0.07 0.00 0.00 0.00 0.00 23.12 20.28 1yhq s ALA 32 CO 0.75 0.16 0.91 -1.54 0.00 0.00 0.00 175.76 176.05 1yhq s SER 33 N -0.69 4.84 0.25 0.00 1.04 -1.26 -4.89 113.70 112.99 1yhq s SER 33 Ca 0.40 0.02 -0.06 0.00 0.48 0.00 0.00 55.95 56.79 1yhq s SER 33 Cb -0.23 -0.69 0.26 0.00 0.10 0.00 0.00 66.02 65.46 1yhq s SER 33 CO 0.27 -1.50 1.92 0.11 0.98 0.00 0.00 173.24 175.03 1yhq h LYS 34 N -0.31 1.30 -0.71 4.02 1.57 -1.97 -0.38 116.57 120.07 1yhq h LYS 34 Ca -0.41 -0.08 -0.06 0.00 -1.87 0.00 0.00 60.65 58.23 1yhq h LYS 34 Cb 1.29 -0.29 -0.03 0.00 0.08 0.00 0.00 32.23 33.28 1yhq h LYS 34 CO 0.51 0.86 0.21 0.78 -0.57 0.00 0.00 179.45 181.24 1yhq h GLY 35 N 1.34 1.19 1.55 3.86 0.00 -1.96 0.11 103.07 109.15 1yhq h GLY 35 Ca 0.37 -0.71 -0.17 0.00 0.00 0.00 0.00 47.33 46.82 1yhq h GLY 35 CO -0.08 0.66 -0.63 0.83 0.00 0.00 0.00 176.54 177.31 1yhq h GLU 36 N 1.06 0.46 -0.53 4.80 5.08 -1.80 -2.12 114.58 121.53 1yhq h GLU 36 Ca 0.23 -0.33 -0.09 0.00 -1.00 0.00 0.00 59.36 58.17 1yhq h GLU 36 Cb 0.31 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 1yhq h GLU 36 CO -0.01 0.95 -0.01 0.28 -1.00 0.00 0.00 179.01 179.22 1yhq h VAL 37 N 0.34 1.26 0.36 3.13 2.07 -0.78 -2.03 116.25 120.61 1yhq h VAL 37 Ca -0.01 -1.11 -0.01 0.00 0.82 0.00 0.00 66.70 66.38 1yhq h VAL 37 Cb 1.19 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.87 1yhq h VAL 37 CO 0.11 0.40 -0.24 0.00 0.02 0.00 0.00 177.57 177.86 1yhq h ALA 38 N 0.95 -0.58 0.70 1.67 0.00 -0.80 -2.26 119.26 118.94 1yhq h ALA 38 Ca 0.15 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1yhq h ALA 38 Cb 0.54 0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 1yhq h ALA 38 CO 0.03 -0.84 -0.43 -0.44 0.00 0.00 0.00 179.25 177.57 1yhq h ASP 39 N -0.58 -1.10 -0.95 0.00 3.32 -1.36 -2.15 116.42 113.59 1yhq h ASP 39 Ca -0.04 0.06 0.29 0.00 0.02 0.00 0.00 57.03 57.37 1yhq h ASP 39 Cb 0.49 0.32 -0.16 0.00 0.22 0.00 0.00 39.33 40.21 1yhq h ASP 39 CO 0.03 -0.66 0.36 0.00 -1.72 0.00 0.00 179.24 177.24 1yhq h ALA 40 N -1.27 1.61 -0.44 3.45 0.00 -1.39 0.13 119.26 121.36 1yhq h ALA 40 Ca -0.09 0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 1yhq h ALA 40 Cb 0.85 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1yhq h ALA 40 CO 0.09 -0.59 -0.14 0.28 0.00 0.00 0.00 179.25 178.89 1yhq h VAL 41 N 0.19 1.27 -0.72 0.00 2.07 -1.19 -1.11 116.25 116.76 1yhq h VAL 41 Ca 0.66 -1.27 -0.06 0.00 0.82 0.00 0.00 66.70 66.85 1yhq h VAL 41 Cb 1.47 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 32.39 1yhq h VAL 41 CO -0.69 0.43 0.22 -0.33 0.02 0.00 0.00 177.57 177.22 1yhq h GLU 42 N 0.71 1.12 -0.07 1.57 5.08 -0.13 -2.33 114.58 120.52 1yhq h GLU 42 Ca 0.11 -0.24 -0.15 0.00 -1.00 0.00 0.00 59.36 58.07 1yhq h GLU 42 Cb 0.69 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 1yhq h GLU 42 CO 0.05 0.96 -0.63 0.93 -1.00 0.00 0.00 179.01 179.32 1yhq h GLU 43 N 1.07 0.27 0.09 2.33 5.08 -1.12 0.56 114.58 122.86 1yhq h GLU 43 Ca 0.23 -0.20 -0.26 0.00 -1.00 0.00 0.00 59.36 58.13 1yhq h GLU 43 Cb 0.31 0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.60 1yhq h GLU 43 CO -0.01 0.81 -1.15 1.96 -1.00 0.00 0.00 179.01 179.63 1yhq h GLN 44 N 0.20 0.38 -0.00 2.33 1.08 -1.09 -3.37 115.11 114.63 1yhq h GLN 44 Ca -0.01 -0.53 0.00 0.00 -1.45 0.00 0.00 58.65 56.66 1yhq h GLN 44 Cb 1.15 0.18 0.00 0.00 -0.05 0.00 0.00 27.48 28.76 1yhq h GLN 44 CO 0.10 1.21 -0.09 0.66 -0.95 0.00 0.00 178.83 179.76 1yhq n TYR 45 N -3.65 0.00 -3.05 2.96 4.02 -0.89 -5.06 117.16 111.49 1yhq n TYR 45 Ca -0.09 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.65 1yhq n TYR 45 Cb 0.96 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 40.29 1yhq n TYR 45 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1yhq n ASP 46 N -0.19 -7.29 -3.25 7.72 -0.08 0.20 -5.04 116.55 108.62 1yhq n ASP 46 Ca 0.03 0.27 -0.12 0.00 -1.51 0.00 0.00 54.79 53.46 1yhq n ASP 46 Cb 0.13 -4.42 -0.02 0.00 2.34 0.00 0.00 41.12 39.15 1yhq n ASP 46 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 1yhq s VAL 47 N -2.40 0.00 -0.21 5.18 -7.23 -1.18 -5.06 120.40 109.50 1yhq s VAL 47 Ca 0.25 -1.34 -0.03 0.00 -1.81 0.00 0.00 61.98 59.04 1yhq s VAL 47 Cb -0.05 -2.65 -0.01 0.00 0.56 0.00 0.00 36.38 34.23 1yhq s VAL 47 CO 0.80 0.00 -0.05 -0.89 -0.31 0.00 0.00 175.10 174.64 1yhq s THR 48 N -2.94 3.35 -0.19 5.32 2.01 -1.26 -4.58 115.64 117.35 1yhq s THR 48 Ca 0.24 -0.51 -0.20 0.00 0.31 0.00 0.00 61.69 61.53 1yhq s THR 48 Cb -0.02 -2.51 -0.03 0.00 0.01 0.00 0.00 72.50 69.95 1yhq s THR 48 CO 0.15 0.44 0.60 -0.69 -0.69 0.00 0.00 174.62 174.43 1yhq s VAL 49 N 1.32 5.05 -0.15 3.82 1.01 -1.26 -1.06 120.40 129.13 1yhq s VAL 49 Ca 0.04 1.13 -0.07 0.00 0.00 0.00 0.00 61.98 63.08 1yhq s VAL 49 Cb -0.14 -3.92 -0.24 0.00 0.00 0.00 0.00 36.38 32.08 1yhq s VAL 49 CO -0.02 0.15 0.24 -0.62 0.00 0.00 0.00 175.10 174.85 1yhq n GLU 50 N 4.83 0.72 -3.67 2.72 -0.58 -0.00 -4.89 120.64 119.77 1yhq n GLU 50 Ca -0.02 0.27 -0.15 0.00 -0.42 0.00 0.00 57.16 56.84 1yhq n GLU 50 Cb 0.50 -1.68 -0.08 0.00 -0.57 0.00 0.00 31.44 29.61 1yhq n GLU 50 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 1yhq s GLN 51 N -2.53 0.76 -0.07 3.49 0.74 -1.18 -5.01 119.66 115.85 1yhq s GLN 51 Ca -0.25 0.31 0.02 0.00 0.05 0.00 0.00 55.36 55.48 1yhq s GLN 51 Cb 0.07 0.36 0.01 0.00 1.10 0.00 0.00 33.01 34.55 1yhq s GLN 51 CO 0.72 -0.18 -0.12 0.08 -0.55 0.00 0.00 175.29 175.24 1yhq s VAL 52 N -0.65 1.17 -0.06 1.34 1.01 -1.26 -0.87 120.40 121.08 1yhq s VAL 52 Ca -0.07 -0.49 0.05 0.00 0.00 0.00 0.00 61.98 61.46 1yhq s VAL 52 Cb -0.03 -1.07 -0.02 0.00 0.00 0.00 0.00 36.38 35.26 1yhq s VAL 52 CO 0.04 0.36 -0.20 0.20 0.00 0.00 0.00 175.10 175.51 1yhq s ASN 53 N 0.73 3.55 0.24 3.32 0.01 -0.44 -4.96 114.94 117.39 1yhq s ASN 53 Ca -0.13 -0.37 0.10 0.00 -0.71 0.00 0.00 52.86 51.75 1yhq s ASN 53 Cb -0.16 -0.88 -0.05 0.00 0.41 0.00 0.00 41.25 40.57 1yhq s ASN 53 CO 0.03 0.28 -0.17 0.42 -1.51 0.00 0.00 177.10 176.15 1yhq s THR 54 N -0.36 2.09 -0.18 1.60 -4.23 -1.26 0.07 115.64 113.38 1yhq s THR 54 Ca 0.03 -2.31 -0.14 0.00 -1.18 0.00 0.00 61.69 58.09 1yhq s THR 54 Cb -0.12 -2.17 0.05 0.00 1.34 0.00 0.00 72.50 71.59 1yhq s THR 54 CO 0.02 -0.50 0.46 -1.58 -0.54 0.00 0.00 174.62 172.49 1yhq s GLN 55 N -3.58 0.51 -0.50 3.99 0.74 -0.03 -4.99 119.66 115.80 1yhq s GLN 55 Ca 0.26 0.72 -0.19 0.00 0.05 0.00 0.00 55.36 56.21 1yhq s GLN 55 Cb -0.03 0.17 0.06 0.00 1.10 0.00 0.00 33.01 34.31 1yhq s GLN 55 CO 0.11 -0.10 0.62 -0.80 -0.55 0.00 0.00 175.29 174.57 1yhq s ASN 56 N 0.66 6.23 0.71 6.67 0.01 -1.26 -0.31 114.94 127.65 1yhq s ASN 56 Ca -0.03 -0.89 -0.11 0.00 -0.71 0.00 0.00 52.86 51.11 1yhq s ASN 56 Cb -0.05 -2.29 0.02 0.00 0.41 0.00 0.00 41.25 39.35 1yhq s ASN 56 CO -0.04 -0.88 1.07 -0.89 -1.51 0.00 0.00 177.10 174.85 1yhq s THR 57 N 2.60 3.73 -0.90 1.60 2.01 -0.25 -4.93 115.64 119.49 1yhq s THR 57 Ca 0.15 0.59 0.00 0.00 0.31 0.00 0.00 61.69 62.74 1yhq s THR 57 Cb -0.19 -3.21 0.00 0.00 0.01 0.00 0.00 72.50 69.11 1yhq s THR 57 CO 0.12 -0.71 0.55 0.23 -0.69 0.00 0.00 174.62 174.12 1yhq n MET 58 N -3.16 1.00 0.00 4.92 2.81 -1.26 -2.21 117.12 119.22 1yhq n MET 58 Ca 0.08 0.00 0.03 0.00 -1.81 0.00 0.00 57.70 56.00 1yhq n MET 58 Cb 0.53 -1.45 0.02 0.00 -0.71 0.00 0.00 33.22 31.61 1yhq n MET 58 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1yhq n ASP 59 N 0.05 1.33 0.00 7.83 10.43 -1.26 -4.98 116.55 129.95 1yhq n ASP 59 Ca 0.00 -1.17 0.00 0.00 2.57 0.00 0.00 54.79 56.19 1yhq n ASP 59 Cb 0.27 0.12 0.00 0.00 1.84 0.00 0.00 41.12 43.36 1yhq n ASP 59 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1yhq n GLY 60 N 0.42 1.16 3.84 0.44 0.00 -0.94 -5.04 105.19 105.08 1yhq n GLY 60 Ca 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 1yhq n GLY 60 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1yhq s GLU 61 N -0.41 2.39 -0.13 1.61 2.02 -1.26 -4.93 118.70 118.00 1yhq s GLU 61 Ca 0.00 -1.71 -0.03 0.00 0.02 0.00 0.00 54.97 53.25 1yhq s GLU 61 Cb 0.00 -2.21 -0.03 0.00 0.10 0.00 0.00 34.13 31.99 1yhq s GLU 61 CO 0.00 -0.25 -0.03 0.21 0.02 0.00 0.00 175.26 175.20 1yhq s LYS 62 N -4.10 3.38 -0.12 1.61 2.20 -1.14 -1.09 119.74 120.49 1yhq s LYS 62 Ca 0.44 -0.50 -0.03 0.00 -0.36 0.00 0.00 55.97 55.52 1yhq s LYS 62 Cb -0.01 -2.84 -0.03 0.00 -1.51 0.00 0.00 37.83 33.44 1yhq s LYS 62 CO 0.25 0.41 0.00 0.21 -0.36 0.00 0.00 175.35 175.86 1yhq s LYS 63 N -0.09 3.34 -0.10 4.03 2.20 0.58 0.07 119.74 129.76 1yhq s LYS 63 Ca 0.02 -0.43 0.03 0.00 -0.36 0.00 0.00 55.97 55.24 1yhq s LYS 63 Cb -0.13 -2.90 0.01 0.00 -1.51 0.00 0.00 37.83 33.30 1yhq s LYS 63 CO 0.02 0.51 -0.20 0.00 -0.36 0.00 0.00 175.35 175.33 1yhq s ALA 64 N -0.34 1.91 -0.43 3.13 0.00 0.35 -0.85 121.76 125.53 1yhq s ALA 64 Ca 0.07 -0.83 -0.11 0.00 0.00 0.00 0.00 51.96 51.08 1yhq s ALA 64 Cb -0.12 -0.79 0.07 0.00 0.00 0.00 0.00 23.12 22.28 1yhq s ALA 64 CO 0.02 0.14 0.30 0.08 0.00 0.00 0.00 175.76 176.31 1yhq s VAL 65 N 0.59 4.60 -0.30 0.00 1.01 0.11 -0.64 120.40 125.77 1yhq s VAL 65 Ca -0.14 -1.24 -0.10 0.00 0.00 0.00 0.00 61.98 60.50 1yhq s VAL 65 Cb -0.17 -3.77 -0.01 0.00 0.00 0.00 0.00 36.38 32.43 1yhq s VAL 65 CO 0.04 -0.51 0.15 -0.69 0.00 0.00 0.00 175.10 174.09 1yhq s VAL 66 N 1.51 4.62 -0.05 2.92 1.01 0.89 -1.33 120.40 129.97 1yhq s VAL 66 Ca 0.03 -0.37 -0.19 0.00 0.00 0.00 0.00 61.98 61.45 1yhq s VAL 66 Cb -0.23 -3.33 -0.05 0.00 0.00 0.00 0.00 36.38 32.77 1yhq s VAL 66 CO 0.04 0.10 0.54 -0.60 0.00 0.00 0.00 175.10 175.18 1yhq s ARG 67 N 1.62 4.29 0.29 2.72 3.52 -0.05 0.29 118.95 131.64 1yhq s ARG 67 Ca 0.05 0.61 0.03 0.00 -0.13 0.00 0.00 55.73 56.29 1yhq s ARG 67 Cb -0.17 -3.37 -0.03 0.00 -1.56 0.00 0.00 34.95 29.82 1yhq s ARG 67 CO 0.06 0.30 0.45 -0.51 -0.81 0.00 0.00 175.30 174.79 1yhq s LEU 68 N 0.10 4.17 0.78 -0.88 1.43 -0.35 -0.82 118.68 123.10 1yhq s LEU 68 Ca 0.29 0.23 -0.11 0.00 -1.03 0.00 0.00 54.13 53.51 1yhq s LEU 68 Cb -0.17 -3.05 0.06 0.00 0.03 0.00 0.00 46.19 43.06 1yhq s LEU 68 CO 0.14 -0.19 1.09 -0.94 0.23 0.00 0.00 176.35 176.68 1yhq s SER 69 N -4.01 4.48 0.51 2.29 1.04 -0.22 -4.68 113.70 113.09 1yhq s SER 69 Ca 0.37 1.78 0.34 0.00 0.48 0.00 0.00 55.95 58.92 1yhq s SER 69 Cb -0.09 -2.49 1.84 0.00 0.10 0.00 0.00 66.02 65.38 1yhq s SER 69 CO 0.32 -2.05 2.04 -0.33 0.98 0.00 0.00 173.24 174.21 1yhq h GLU 70 N -1.14 0.00 -0.08 4.02 5.08 -1.97 -1.03 114.58 119.46 1yhq h GLU 70 Ca -0.44 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 57.83 1yhq h GLU 70 Cb 1.23 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 1yhq h GLU 70 CO 0.52 0.00 -0.34 0.22 -1.00 0.00 0.00 179.01 178.41 1yhq h ASP 71 N 0.00 0.16 -2.14 1.42 1.82 -1.95 -3.44 116.42 112.28 1yhq h ASP 71 Ca 0.00 -0.06 -0.50 0.00 -0.39 0.00 0.00 57.03 56.09 1yhq h ASP 71 Cb 0.01 -0.04 -0.04 0.00 0.68 0.00 0.00 39.33 39.94 1yhq h ASP 71 CO 0.00 0.50 -0.50 -1.81 -1.61 0.00 0.00 179.24 175.82 1yhq s ASP 72 N -6.89 5.62 -0.26 2.28 1.01 -0.39 -5.10 116.67 112.93 1yhq s ASP 72 Ca -0.04 -0.23 0.02 0.00 0.71 0.00 0.00 52.55 53.00 1yhq s ASP 72 Cb 0.14 -1.41 0.07 0.00 1.01 0.00 0.00 42.92 42.73 1yhq s ASP 72 CO 0.75 -0.09 -0.04 -0.62 0.21 0.00 0.00 175.17 175.38 1yhq s ASP 73 N -3.89 4.13 0.18 0.27 -1.08 -1.26 -4.76 116.67 110.26 1yhq s ASP 73 Ca 0.34 -1.39 -0.22 0.00 -0.52 0.00 0.00 52.55 50.76 1yhq s ASP 73 Cb -0.08 -1.31 0.09 0.00 -1.46 0.00 0.00 42.92 40.16 1yhq s ASP 73 CO 0.26 -0.26 1.59 0.00 0.52 0.00 0.00 175.17 177.28 1yhq h ALA 74 N 7.87 -0.13 -0.77 3.66 0.00 -1.84 -0.95 119.26 127.10 1yhq h ALA 74 Ca -0.16 0.13 0.18 0.00 0.00 0.00 0.00 54.91 55.06 1yhq h ALA 74 Cb 1.05 0.76 -0.12 0.00 0.00 0.00 0.00 17.79 19.48 1yhq h ALA 74 CO 0.44 -0.71 0.14 1.96 0.00 0.00 0.00 179.25 181.08 1yhq h GLN 75 N -0.21 0.20 -0.00 0.00 4.20 -1.93 0.36 115.11 117.73 1yhq h GLN 75 Ca 0.20 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.90 1yhq h GLN 75 Cb 0.55 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.28 1yhq h GLN 75 CO -0.62 0.14 0.00 0.93 -0.67 0.00 0.00 178.83 178.61 1yhq h GLU 76 N 0.21 0.00 -0.33 1.46 5.08 -1.63 0.73 114.58 120.09 1yhq h GLU 76 Ca 0.44 -0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.86 1yhq h GLU 76 Cb 0.79 -0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.99 1yhq h GLU 76 CO -0.58 0.28 -0.02 0.28 -1.00 0.00 0.00 179.01 177.97 1yhq h VAL 77 N -0.27 0.74 -0.24 3.13 2.07 -0.43 -1.69 116.25 119.56 1yhq h VAL 77 Ca 0.00 -0.03 -0.07 0.00 0.82 0.00 0.00 66.70 67.42 1yhq h VAL 77 Cb 0.28 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 1yhq h VAL 77 CO 0.00 0.01 -0.17 0.00 0.02 0.00 0.00 177.57 177.43 1yhq h ALA 78 N 1.30 1.26 0.00 1.67 0.00 -0.91 -3.00 119.26 119.57 1yhq h ALA 78 Ca 0.16 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1yhq h ALA 78 Cb 0.22 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1yhq h ALA 78 CO -0.28 0.49 -0.06 0.66 0.00 0.00 0.00 179.25 180.05 1yhq h SER 79 N 0.38 0.00 -0.17 0.00 4.64 0.11 -2.45 113.55 116.07 1yhq h SER 79 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1yhq h SER 79 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 1yhq h SER 79 CO 0.03 0.06 0.00 -2.11 -0.87 0.00 0.00 176.83 173.95 1yhq n ARG 80 N -3.43 1.47 0.00 4.77 1.85 -1.10 -5.08 116.66 115.14 1yhq n ARG 80 Ca -0.02 -0.73 0.00 0.00 -1.00 0.00 0.00 57.85 56.11 1yhq n ARG 80 Cb 0.20 -1.24 0.00 0.00 -1.05 0.00 0.00 32.46 30.37 1yhq n ARG 80 CO 0.00 0.00 0.00 0.44 -0.01 0.00 0.00 177.63 178.06