#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yhq s GLN 2 N 0.00 3.54 -0.27 3.17 -1.52 -1.26 -1.74 119.66 121.58 1yhq s GLN 2 Ca 0.00 -0.20 -0.20 0.00 -1.95 0.00 0.00 55.36 53.00 1yhq s GLN 2 Cb 0.00 -2.68 0.07 0.00 -0.22 0.00 0.00 33.01 30.19 1yhq s GLN 2 CO 0.00 0.20 0.69 1.41 -0.25 0.00 0.00 175.29 177.34 1yhq s MET 3 N -3.91 0.76 0.21 2.91 -2.45 -0.30 -4.90 119.30 111.63 1yhq s MET 3 Ca 0.41 1.09 -0.31 0.00 -1.25 0.00 0.00 55.69 55.63 1yhq s MET 3 Cb -0.10 0.28 -0.10 0.00 1.25 0.00 0.00 34.83 36.16 1yhq s MET 3 CO 0.33 -0.12 1.46 -1.25 1.05 0.00 0.00 175.02 176.49 1yhq s PRO 4 N 0.96 4.27 0.40 4.11 0.04 -1.26 0.63 135.00 144.14 1yhq s PRO 4 Ca -0.05 2.28 0.13 0.00 0.04 0.00 0.00 61.00 63.40 1yhq s PRO 4 Cb -0.05 -3.14 0.82 0.00 0.04 0.00 0.00 34.50 32.17 1yhq s PRO 4 CO -0.09 -0.46 1.89 -0.09 0.04 0.00 0.00 177.00 178.29 1yhq h ARG 5 N 5.74 0.03 -4.10 4.56 9.65 -1.82 -3.44 114.38 125.00 1yhq h ARG 5 Ca -0.45 -0.01 -0.23 0.00 -1.10 0.00 0.00 59.98 58.19 1yhq h ARG 5 Cb 1.21 -0.00 -0.24 0.00 -1.39 0.00 0.00 29.97 29.55 1yhq h ARG 5 CO 0.82 0.31 -0.72 1.03 2.80 0.00 0.00 179.97 184.21 1yhq s ARG 6 N -4.40 0.30 -0.12 0.20 0.52 -1.26 -0.93 118.95 113.26 1yhq s ARG 6 Ca -0.03 -0.42 -0.32 0.00 -0.52 0.00 0.00 55.73 54.43 1yhq s ARG 6 Cb 0.15 -0.09 0.13 0.00 0.52 0.00 0.00 34.95 35.65 1yhq s ARG 6 CO 0.72 0.01 1.07 -0.59 0.02 0.00 0.00 175.30 176.53 1yhq s PHE 7 N -0.86 -0.23 0.02 -0.53 -0.12 -0.91 -4.97 117.98 110.37 1yhq s PHE 7 Ca -0.08 0.18 -0.28 0.00 -0.05 0.00 0.00 56.93 56.70 1yhq s PHE 7 Cb -0.06 0.52 -0.04 0.00 -0.63 0.00 0.00 43.02 42.80 1yhq s PHE 7 CO -0.00 -0.34 0.88 -0.80 -0.05 0.00 0.00 175.22 174.91 1yhq s ASN 8 N -2.16 7.30 0.24 1.98 0.01 -1.26 -0.87 114.94 120.18 1yhq s ASN 8 Ca 0.07 1.56 -0.22 0.00 -0.71 0.00 0.00 52.86 53.56 1yhq s ASN 8 Cb -0.01 -2.53 0.05 0.00 0.41 0.00 0.00 41.25 39.17 1yhq s ASN 8 CO -0.06 -0.14 0.87 0.28 -1.51 0.00 0.00 177.10 176.54 1yhq s THR 9 N 0.55 0.00 0.13 1.60 -1.32 -0.96 -4.94 115.64 110.69 1yhq s THR 9 Ca 0.46 -0.82 -0.31 0.00 -1.21 0.00 0.00 61.69 59.81 1yhq s THR 9 Cb -0.21 -2.30 -0.08 0.00 -1.51 0.00 0.00 72.50 68.40 1yhq s THR 9 CO 0.26 0.00 1.38 -0.47 -2.21 0.00 0.00 174.62 173.58 1yhq s TYR 10 N -3.12 3.24 -0.42 9.09 5.04 -1.26 -1.86 117.35 128.05 1yhq s TYR 10 Ca 0.14 0.99 -0.11 0.00 -2.44 0.00 0.00 57.07 55.65 1yhq s TYR 10 Cb -0.04 -3.68 0.07 0.00 0.35 0.00 0.00 41.96 38.66 1yhq s TYR 10 CO 0.06 -2.34 0.27 0.00 -1.34 0.00 0.00 175.55 172.21 1yhq n PRO 12 N 4.99 0.00 -0.08 0.00 -0.04 -1.26 -0.42 135.00 138.19 1yhq n PRO 12 Ca -0.11 0.38 -0.08 0.00 -0.04 0.00 0.00 63.50 63.65 1yhq n PRO 12 Cb 0.44 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.37 1yhq n PRO 12 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1yhq n HIS 13 N -1.38 0.38 0.25 0.54 8.25 -1.26 -4.33 115.22 117.67 1yhq n HIS 13 Ca 0.00 0.17 0.09 0.00 -0.26 0.00 0.00 57.72 57.71 1yhq n HIS 13 Cb 0.00 -0.63 0.64 0.00 1.12 0.00 0.00 29.99 31.13 1yhq n HIS 13 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1yhq n ASN 15 N -4.18 -2.72 -3.53 0.00 2.85 0.44 -5.03 115.26 103.10 1yhq n ASN 15 Ca -0.03 -0.07 -0.12 0.00 -0.11 0.00 0.00 54.58 54.25 1yhq n ASN 15 Cb 0.18 -1.68 -0.04 0.00 1.24 0.00 0.00 39.78 39.48 1yhq n ASN 15 CO 0.00 0.00 0.00 -1.83 -2.11 0.00 0.00 177.26 173.32 1yhq s GLU 16 N -4.80 0.84 0.31 1.20 -1.05 -1.21 -4.98 118.70 109.00 1yhq s GLU 16 Ca 0.08 -0.00 -0.29 0.00 -0.15 0.00 0.00 54.97 54.60 1yhq s GLU 16 Cb -0.03 0.39 -0.11 0.00 -0.44 0.00 0.00 34.13 33.94 1yhq s GLU 16 CO 0.09 -0.30 1.46 -1.01 0.95 0.00 0.00 175.26 176.45 1yhq s HIS 17 N -1.92 2.85 0.20 4.83 3.76 -1.26 -3.02 115.29 120.73 1yhq s HIS 17 Ca -0.02 1.08 -0.21 0.00 -0.15 0.00 0.00 55.06 55.76 1yhq s HIS 17 Cb -0.01 -3.90 0.04 0.00 1.11 0.00 0.00 32.58 29.82 1yhq s HIS 17 CO -0.01 -2.81 0.61 -0.65 -0.85 0.00 0.00 174.74 171.03 1yhq s GLN 18 N -1.11 1.45 -0.08 1.40 -0.21 -0.78 -4.92 119.66 115.40 1yhq s GLN 18 Ca 0.57 -0.73 -0.30 0.00 0.02 0.00 0.00 55.36 54.92 1yhq s GLN 18 Cb -0.44 0.57 -0.04 0.00 1.00 0.00 0.00 33.01 34.10 1yhq s GLN 18 CO 0.51 -0.64 1.48 -2.00 -2.12 0.00 0.00 175.29 172.52 1yhq s GLU 19 N -3.83 4.21 0.25 2.91 2.12 -1.26 -2.28 118.70 120.82 1yhq s GLU 19 Ca 0.06 1.97 0.08 0.00 0.36 0.00 0.00 54.97 57.44 1yhq s GLU 19 Cb -0.02 -3.85 -0.04 0.00 0.26 0.00 0.00 34.13 30.48 1yhq s GLU 19 CO -0.04 -0.76 0.14 -1.01 -0.54 0.00 0.00 175.26 173.05 1yhq s HIS 20 N 3.61 3.01 -0.08 5.30 3.76 -0.05 0.23 115.29 131.07 1yhq s HIS 20 Ca 0.65 -0.13 0.04 0.00 -0.15 0.00 0.00 55.06 55.47 1yhq s HIS 20 Cb -0.29 -1.36 -0.01 0.00 1.11 0.00 0.00 32.58 32.03 1yhq s HIS 20 CO 0.24 0.54 -0.20 -2.00 -0.85 0.00 0.00 174.74 172.47 1yhq s GLU 21 N -3.75 2.78 -0.21 1.40 2.12 0.74 -2.15 118.70 119.63 1yhq s GLU 21 Ca 0.32 -0.81 -0.09 0.00 0.36 0.00 0.00 54.97 54.75 1yhq s GLU 21 Cb -0.08 -2.32 -0.05 0.00 0.26 0.00 0.00 34.13 31.95 1yhq s GLU 21 CO 0.24 0.37 0.11 0.08 -0.54 0.00 0.00 175.26 175.52 1yhq s VAL 22 N -0.11 5.10 0.04 3.70 1.01 -0.10 -0.58 120.40 129.46 1yhq s VAL 22 Ca -0.04 0.08 0.04 0.00 0.00 0.00 0.00 61.98 62.06 1yhq s VAL 22 Cb -0.14 -3.34 -0.02 0.00 0.00 0.00 0.00 36.38 32.88 1yhq s VAL 22 CO 0.04 0.41 -0.12 -0.70 0.00 0.00 0.00 175.10 174.73 1yhq s GLU 23 N 0.68 0.81 0.16 2.72 2.12 -0.57 -4.90 118.70 119.72 1yhq s GLU 23 Ca 0.06 -0.74 -0.30 0.00 0.36 0.00 0.00 54.97 54.35 1yhq s GLU 23 Cb -0.13 -0.78 -0.07 0.00 0.26 0.00 0.00 34.13 33.41 1yhq s GLU 23 CO 0.01 0.19 1.03 0.15 -0.54 0.00 0.00 175.26 176.10 1yhq s LYS 24 N -1.21 4.66 -0.25 4.30 1.02 -1.26 -0.39 119.74 126.62 1yhq s LYS 24 Ca -0.01 1.59 -0.29 0.00 0.02 0.00 0.00 55.97 57.29 1yhq s LYS 24 Cb -0.08 -3.32 -0.03 0.00 -0.52 0.00 0.00 37.83 33.88 1yhq s LYS 24 CO 0.01 0.18 1.85 0.08 -0.92 0.00 0.00 175.35 176.55 1yhq s VAL 25 N -0.26 3.40 0.13 3.17 1.01 -0.76 -4.86 120.40 122.24 1yhq s VAL 25 Ca 0.47 0.43 -0.28 0.00 0.00 0.00 0.00 61.98 62.60 1yhq s VAL 25 Cb -0.27 -3.48 -0.07 0.00 0.00 0.00 0.00 36.38 32.56 1yhq s VAL 25 CO 0.33 -0.27 0.89 -0.13 0.00 0.00 0.00 175.10 175.92 1yhq s ARG 26 N 5.45 4.68 0.17 2.72 0.52 -1.26 -5.00 118.95 126.23 1yhq s ARG 26 Ca 0.83 1.34 -0.31 0.00 -0.52 0.00 0.00 55.73 57.07 1yhq s ARG 26 Cb -0.27 -3.34 -0.10 0.00 0.52 0.00 0.00 34.95 31.77 1yhq s ARG 26 CO 0.33 0.34 1.54 -1.12 0.02 0.00 0.00 175.30 176.42 1yhq s SER 27 N -0.41 6.61 0.53 0.23 0.01 -1.26 -4.99 113.70 114.42 1yhq s SER 27 Ca 0.42 2.59 -0.16 0.00 1.31 0.00 0.00 55.95 60.12 1yhq s SER 27 Cb -0.23 -2.59 -0.07 0.00 0.21 0.00 0.00 66.02 63.33 1yhq s SER 27 CO 0.28 -0.80 1.00 -0.83 0.41 0.00 0.00 173.24 173.30 1yhq s GLY 28 N 1.09 2.04 0.26 3.44 0.00 -1.26 -5.03 107.32 107.86 1yhq s GLY 28 Ca 0.69 0.18 -0.23 0.00 0.00 0.00 0.00 44.72 45.36 1yhq s GLY 28 CO 0.32 0.47 0.83 -1.60 0.00 0.00 0.00 173.10 173.11 1yhq s ARG 29 N -4.16 4.42 0.56 2.90 3.52 -1.26 -5.06 118.95 119.88 1yhq s ARG 29 Ca 0.59 1.10 -0.12 0.00 -0.13 0.00 0.00 55.73 57.17 1yhq s ARG 29 Cb -0.11 -2.87 -0.05 0.00 -1.56 0.00 0.00 34.95 30.36 1yhq s ARG 29 CO 0.34 0.35 0.98 -0.65 -0.81 0.00 0.00 175.30 175.51 1yhq s GLN 30 N -1.96 3.71 -0.14 5.12 -0.21 -1.26 -5.00 119.66 119.92 1yhq s GLN 30 Ca 0.46 0.75 0.16 0.00 0.02 0.00 0.00 55.36 56.75 1yhq s GLN 30 Cb -0.18 -2.14 -0.23 0.00 1.00 0.00 0.00 33.01 31.46 1yhq s GLN 30 CO 0.23 -0.42 0.14 0.25 -2.12 0.00 0.00 175.29 173.36 1yhq n THR 31 N -2.27 0.91 -1.19 -0.19 -2.24 -1.26 -5.00 114.28 103.03 1yhq n THR 31 Ca 0.06 -0.66 -0.03 0.00 -2.27 0.00 0.00 64.05 61.15 1yhq n THR 31 Cb 0.54 -0.40 -0.01 0.00 -2.10 0.00 0.00 70.33 68.35 1yhq n THR 31 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1yhq n GLY 32 N 1.84 0.58 0.05 3.38 0.00 -1.26 -4.90 105.19 104.88 1yhq n GLY 32 Ca -0.22 -0.92 0.04 0.00 0.00 0.00 0.00 46.02 44.92 1yhq n GLY 32 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1yhq n MET 33 N -2.74 1.98 -2.10 1.61 2.81 -1.26 -4.80 117.12 112.63 1yhq n MET 33 Ca -0.03 -1.89 -0.30 0.00 -1.81 0.00 0.00 57.70 53.67 1yhq n MET 33 Cb 0.15 -1.16 0.01 0.00 -0.71 0.00 0.00 33.22 31.51 1yhq n MET 33 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1yhq s LYS 34 N -1.70 3.43 0.23 0.03 3.01 -1.26 -4.91 119.74 118.56 1yhq s LYS 34 Ca 0.14 0.52 -0.06 0.00 -1.01 0.00 0.00 55.97 55.55 1yhq s LYS 34 Cb 0.12 -2.16 0.40 0.00 -1.01 0.00 0.00 37.83 35.18 1yhq s LYS 34 CO 0.01 -0.56 1.71 2.35 0.51 0.00 0.00 175.35 179.38 1yhq h TRP 35 N -0.23 0.37 -0.62 3.18 7.01 -2.00 0.17 115.95 123.83 1yhq h TRP 35 Ca -0.45 0.04 0.03 0.00 2.11 0.00 0.00 58.89 60.62 1yhq h TRP 35 Cb 1.21 -0.06 -0.03 0.00 -2.10 0.00 0.00 29.16 28.18 1yhq h TRP 35 CO 0.60 0.01 0.41 0.97 -2.79 0.00 0.00 178.44 177.64 1yhq h ILE 36 N 0.35 1.10 -0.76 2.65 6.09 -1.99 -0.73 117.51 124.22 1yhq h ILE 36 Ca 0.38 -0.26 -0.04 0.00 -1.37 0.00 0.00 64.86 63.57 1yhq h ILE 36 Cb 0.58 0.28 -0.03 0.00 0.47 0.00 0.00 36.82 38.11 1yhq h ILE 36 CO -0.42 0.14 0.33 0.44 -3.07 0.00 0.00 178.15 175.57 1yhq h ASP 37 N 0.75 1.02 0.35 2.19 3.32 -1.30 -1.75 116.42 121.00 1yhq h ASP 37 Ca 0.24 -0.15 -0.15 0.00 0.02 0.00 0.00 57.03 56.99 1yhq h ASP 37 Cb 0.05 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.32 1yhq h ASP 37 CO -0.06 0.89 -0.64 0.03 -1.72 0.00 0.00 179.24 177.74 1yhq h ARG 38 N 1.08 0.27 -0.23 3.56 3.08 -1.01 -2.96 114.38 118.17 1yhq h ARG 38 Ca 0.26 -0.20 -0.10 0.00 0.07 0.00 0.00 59.98 60.01 1yhq h ARG 38 Cb 0.17 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 1yhq h ARG 38 CO -0.03 0.82 -0.30 0.37 -1.07 0.00 0.00 179.97 179.76 1yhq h GLN 39 N 0.19 0.46 -0.59 0.04 4.15 -0.79 0.19 115.11 118.76 1yhq h GLN 39 Ca -0.01 -0.19 -0.04 0.00 0.77 0.00 0.00 58.65 59.18 1yhq h GLN 39 Cb 1.16 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 28.81 1yhq h GLN 39 CO 0.10 0.71 0.22 -0.09 -1.93 0.00 0.00 178.83 177.84 1yhq h ARG 40 N 0.40 0.89 -0.05 1.69 2.43 -1.23 0.20 114.38 118.71 1yhq h ARG 40 Ca 0.05 -0.17 -0.03 0.00 -0.81 0.00 0.00 59.98 59.02 1yhq h ARG 40 Cb 0.73 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 30.14 1yhq h ARG 40 CO 0.06 0.78 -0.08 0.93 -1.51 0.00 0.00 179.97 180.15 1yhq h GLU 41 N 0.82 0.14 0.28 0.20 5.08 -1.32 -2.51 114.58 117.28 1yhq h GLU 41 Ca 0.19 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1yhq h GLU 41 Cb 0.23 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 1yhq h GLU 41 CO -0.01 0.64 -0.28 0.00 -1.00 0.00 0.00 179.01 178.37 1yhq h ARG 42 N -0.35 -0.57 0.00 2.33 3.08 -0.49 -3.23 114.38 115.16 1yhq h ARG 42 Ca 0.00 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1yhq h ARG 42 Cb 0.63 0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.81 1yhq h ARG 42 CO 0.02 -0.38 0.00 0.09 -1.07 0.00 0.00 179.97 178.63 1yhq n ASN 43 N -5.40 0.14 -4.66 7.04 4.13 0.68 -4.81 115.26 112.39 1yhq n ASN 43 Ca -0.09 0.51 -0.41 0.00 1.68 0.00 0.00 54.58 56.27 1yhq n ASN 43 Cb 0.30 -0.55 -0.04 0.00 -1.54 0.00 0.00 39.78 37.95 1yhq n ASN 43 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1yhq s SER 44 N -3.27 6.86 0.00 6.41 0.01 -0.95 -4.94 113.70 117.83 1yhq s SER 44 Ca 0.13 1.07 0.00 0.00 1.31 0.00 0.00 55.95 58.46 1yhq s SER 44 Cb 0.17 -2.43 0.00 0.00 0.21 0.00 0.00 66.02 63.97 1yhq s SER 44 CO 0.53 -0.43 0.00 0.61 0.41 0.00 0.00 173.24 174.36 1yhq n GLY 45 N 3.63 5.42 3.74 3.44 0.00 -1.26 -4.97 105.19 115.19 1yhq n GLY 45 Ca 0.04 -0.83 -0.41 0.00 0.00 0.00 0.00 46.02 44.82 1yhq n GLY 45 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1yhq s ILE 46 N 1.62 3.62 0.00 -0.61 1.01 -1.26 -4.80 121.20 120.77 1yhq s ILE 46 Ca 0.00 1.36 0.00 0.00 0.00 0.00 0.00 60.65 62.01 1yhq s ILE 46 Cb 0.00 -3.87 0.00 0.00 0.01 0.00 0.00 42.46 38.60 1yhq s ILE 46 CO 0.00 0.22 0.00 0.61 0.00 0.00 0.00 174.94 175.77 1yhq n GLY 47 N 2.17 -1.79 3.73 6.18 0.00 -1.26 -4.91 105.19 109.32 1yhq n GLY 47 Ca 0.04 -1.51 -0.37 0.00 0.00 0.00 0.00 46.02 44.18 1yhq n GLY 47 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1yhq s ASN 48 N -4.00 4.62 -0.33 1.61 2.47 -1.26 -4.95 114.94 113.09 1yhq s ASN 48 Ca 0.00 2.64 0.07 0.00 0.42 0.00 0.00 52.86 55.99 1yhq s ASN 48 Cb 0.00 -2.62 0.50 0.00 -1.45 0.00 0.00 41.25 37.68 1yhq s ASN 48 CO 0.00 -2.00 1.50 0.47 -3.72 0.00 0.00 177.10 173.35 1yhq n ASP 49 N -1.87 3.35 0.00 -4.21 8.00 -1.26 -4.77 116.55 115.79 1yhq n ASP 49 Ca 0.16 -3.79 0.00 0.00 0.71 0.00 0.00 54.79 51.87 1yhq n ASP 49 Cb 0.48 -0.63 0.00 0.00 -0.02 0.00 0.00 41.12 40.94 1yhq n ASP 49 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1yhq n GLY 50 N -1.05 2.97 0.40 0.44 0.00 -1.26 -1.23 105.19 105.46 1yhq n GLY 50 Ca 0.39 -0.14 0.22 0.00 0.00 0.00 0.00 46.02 46.48 1yhq n GLY 50 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1yhq h LYS 51 N 0.00 0.00 -0.00 1.61 2.10 -1.99 0.79 116.57 119.08 1yhq h LYS 51 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1yhq h LYS 51 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1yhq h LYS 51 CO 0.00 0.00 0.00 1.19 -2.00 0.00 0.00 179.45 178.64 1yhq n PHE 52 N -4.03 0.01 0.47 0.07 3.01 -0.36 -2.60 117.46 114.01 1yhq n PHE 52 Ca 0.10 -0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.61 1yhq n PHE 52 Cb 0.68 0.00 0.04 0.00 -0.01 0.00 0.00 39.48 40.19 1yhq n PHE 52 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1yhq n SER 53 N -0.62 1.86 -4.85 4.37 7.64 0.27 -4.84 113.62 117.45 1yhq n SER 53 Ca 0.07 -1.43 -0.32 0.00 1.01 0.00 0.00 58.87 58.20 1yhq n SER 53 Cb 0.03 0.05 -0.01 0.00 -1.01 0.00 0.00 64.21 63.27 1yhq n SER 53 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1yhq s LYS 54 N -0.99 3.78 0.13 1.43 1.02 -1.07 -5.02 119.74 119.02 1yhq s LYS 54 Ca 0.13 0.88 0.08 0.00 0.02 0.00 0.00 55.97 57.08 1yhq s LYS 54 Cb 0.09 -2.11 -0.04 0.00 -0.52 0.00 0.00 37.83 35.26 1yhq s LYS 54 CO 0.15 -0.42 -0.20 0.14 -0.92 0.00 0.00 175.35 174.11 1yhq s VAL 55 N -2.84 1.76 -0.25 3.17 -7.23 -1.26 -5.10 120.40 108.65 1yhq s VAL 55 Ca 0.58 -1.69 -0.31 0.00 -1.81 0.00 0.00 61.98 58.75 1yhq s VAL 55 Cb -0.11 -1.67 -0.14 0.00 0.56 0.00 0.00 36.38 35.03 1yhq s VAL 55 CO 0.41 -0.16 0.99 -2.65 -0.31 0.00 0.00 175.10 173.38 1yhq n PRO 56 N 0.77 0.00 0.00 4.82 -0.02 -1.26 -4.98 135.00 134.34 1yhq n PRO 56 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 1yhq n PRO 56 Cb 0.55 -1.02 0.00 0.00 -0.02 0.00 0.00 33.50 33.01 1yhq n PRO 56 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1yhq n GLY 57 N 2.27 -3.58 0.00 -1.23 0.00 -1.26 -5.06 105.19 96.33 1yhq n GLY 57 Ca 0.19 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.99 1yhq n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yhq n GLY 58 N 0.09 1.58 2.98 -0.02 0.00 -1.26 -5.13 105.19 103.43 1yhq n GLY 58 Ca 0.00 -1.76 -0.16 0.00 0.00 0.00 0.00 46.02 44.09 1yhq n GLY 58 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1yhq s ASP 59 N -1.00 0.75 0.40 1.61 1.01 -1.26 -5.14 116.67 113.04 1yhq s ASP 59 Ca 0.00 -0.13 -0.23 0.00 0.71 0.00 0.00 52.55 52.90 1yhq s ASP 59 Cb 0.00 -0.08 -0.10 0.00 1.01 0.00 0.00 42.92 43.75 1yhq s ASP 59 CO 0.00 0.07 0.96 -0.75 0.21 0.00 0.00 175.17 175.66 1yhq s LYS 60 N -0.20 4.30 0.38 8.23 2.47 -1.26 -4.95 119.74 128.71 1yhq s LYS 60 Ca 0.02 1.23 0.12 0.00 -1.56 0.00 0.00 55.97 55.78 1yhq s LYS 60 Cb -0.03 -2.39 0.92 0.00 -1.46 0.00 0.00 37.83 34.86 1yhq s LYS 60 CO -0.00 0.03 1.86 -1.00 0.16 0.00 0.00 175.35 176.39 1yhq h PRO 61 N 2.32 0.57 -4.32 4.03 0.13 -2.05 -3.41 132.00 129.27 1yhq h PRO 61 Ca -0.48 -0.03 -0.32 0.00 -0.87 0.00 0.00 66.00 64.29 1yhq h PRO 61 Cb 1.19 -0.13 -0.28 0.00 0.13 0.00 0.00 31.00 31.91 1yhq h PRO 61 CO 0.62 0.37 -0.75 0.99 -0.23 0.00 0.00 178.00 179.00 1yhq s THR 62 N -5.60 0.42 0.22 1.56 2.01 -1.26 -5.03 115.64 107.96 1yhq s THR 62 Ca -0.09 -0.24 0.04 0.00 0.31 0.00 0.00 61.69 61.71 1yhq s THR 62 Cb 0.23 -0.36 -0.03 0.00 0.01 0.00 0.00 72.50 72.35 1yhq s THR 62 CO 0.79 0.11 0.35 -0.54 -0.69 0.00 0.00 174.62 174.63 1yhq s LYS 63 N -0.15 3.44 0.57 4.92 -0.14 -1.26 -4.89 119.74 122.23 1yhq s LYS 63 Ca 0.02 -0.70 -0.07 0.00 -1.36 0.00 0.00 55.97 53.85 1yhq s LYS 63 Cb -0.02 -2.90 -0.02 0.00 -1.68 0.00 0.00 37.83 33.21 1yhq s LYS 63 CO -0.00 0.44 0.91 0.15 -0.76 0.00 0.00 175.35 176.10 1yhq s LYS 64 N -3.80 3.29 0.28 1.68 1.02 -1.26 -2.16 119.74 118.78 1yhq s LYS 64 Ca 0.34 0.30 -0.29 0.00 0.02 0.00 0.00 55.97 56.33 1yhq s LYS 64 Cb -0.10 -2.23 -0.10 0.00 -0.52 0.00 0.00 37.83 34.88 1yhq s LYS 64 CO 0.29 -0.54 1.39 0.99 -0.92 0.00 0.00 175.35 176.56 1yhq s THR 65 N -2.99 2.69 -0.46 2.17 2.01 -0.39 -4.82 115.64 113.85 1yhq s THR 65 Ca 0.52 0.62 0.03 0.00 0.31 0.00 0.00 61.69 63.17 1yhq s THR 65 Cb -0.11 -3.39 0.13 0.00 0.01 0.00 0.00 72.50 69.14 1yhq s THR 65 CO 0.48 0.12 0.24 -0.62 -0.69 0.00 0.00 174.62 174.15 1yhq s ASP 66 N 0.05 3.82 0.25 3.53 2.15 -1.26 -4.06 116.67 121.15 1yhq s ASP 66 Ca 0.55 -2.71 0.06 0.00 0.43 0.00 0.00 52.55 50.88 1yhq s ASP 66 Cb -0.41 -1.19 -0.05 0.00 -0.30 0.00 0.00 42.92 40.97 1yhq s ASP 66 CO 0.47 -0.26 -0.06 -0.76 -0.17 0.00 0.00 175.17 174.40 1yhq s LEU 67 N 0.21 2.42 -0.05 -1.34 1.43 -1.26 -1.82 118.68 118.26 1yhq s LEU 67 Ca 0.17 -1.17 0.06 0.00 -1.03 0.00 0.00 54.13 52.17 1yhq s LEU 67 Cb -0.25 -0.53 -0.02 0.00 0.03 0.00 0.00 46.19 45.43 1yhq s LEU 67 CO 0.00 -0.37 -0.23 -0.54 0.23 0.00 0.00 176.35 175.45 1yhq s LYS 68 N -3.75 2.47 -0.27 1.70 1.02 0.48 -4.49 119.74 116.89 1yhq s LYS 68 Ca 0.28 -0.87 -0.01 0.00 0.02 0.00 0.00 55.97 55.39 1yhq s LYS 68 Cb 0.04 -2.19 0.04 0.00 -0.52 0.00 0.00 37.83 35.19 1yhq s LYS 68 CO 0.10 0.46 -0.05 0.71 -0.92 0.00 0.00 175.35 175.66 1yhq s TYR 69 N -0.36 3.16 -0.22 3.18 1.51 -0.91 -1.51 117.35 122.20 1yhq s TYR 69 Ca 0.02 -1.77 -0.08 0.00 -1.01 0.00 0.00 57.07 54.24 1yhq s TYR 69 Cb -0.12 -2.06 -0.04 0.00 -0.11 0.00 0.00 41.96 39.63 1yhq s TYR 69 CO 0.02 -0.78 0.09 1.03 -1.11 0.00 0.00 175.55 174.80 1yhq s ARG 70 N 1.27 3.85 0.06 -0.62 0.52 0.25 -1.41 118.95 122.87 1yhq s ARG 70 Ca -0.03 -0.39 -0.31 0.00 -0.52 0.00 0.00 55.73 54.48 1yhq s ARG 70 Cb -0.18 -3.33 -0.08 0.00 0.52 0.00 0.00 34.95 31.88 1yhq s ARG 70 CO -0.03 0.02 1.60 0.00 0.02 0.00 0.00 175.30 176.90 1yhq n GLY 72 N 3.91 -0.87 0.17 0.00 0.00 0.14 -1.56 105.19 106.98 1yhq n GLY 72 Ca 0.15 -0.08 -0.10 0.00 0.00 0.00 0.00 46.02 45.99 1yhq n GLY 72 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1yhq n GLU 73 N -1.31 0.32 0.00 1.61 2.13 -1.26 -4.69 120.64 117.44 1yhq n GLU 73 Ca 0.08 0.09 0.10 0.00 0.66 0.00 0.00 57.16 58.09 1yhq n GLU 73 Cb 0.14 -1.21 -0.05 0.00 0.27 0.00 0.00 31.44 30.59 1yhq n GLU 73 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1yhq n GLY 75 N 1.48 2.39 3.75 0.00 0.00 -0.60 -5.00 105.19 107.21 1yhq n GLY 75 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 1yhq n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yhq s LYS 76 N 0.00 4.83 0.38 1.61 1.02 -1.26 -4.64 119.74 121.68 1yhq s LYS 76 Ca 0.00 1.49 0.07 0.00 0.02 0.00 0.00 55.97 57.55 1yhq s LYS 76 Cb 0.00 -3.29 -0.00 0.00 -0.52 0.00 0.00 37.83 34.01 1yhq s LYS 76 CO 0.00 0.47 0.49 0.00 -0.92 0.00 0.00 175.35 175.39 1yhq s ALA 77 N -1.01 4.32 0.08 5.17 0.00 -1.26 -2.16 121.76 126.90 1yhq s ALA 77 Ca 0.42 -1.59 -0.09 0.00 0.00 0.00 0.00 51.96 50.70 1yhq s ALA 77 Cb -0.26 -1.57 -0.00 0.00 0.00 0.00 0.00 23.12 21.29 1yhq s ALA 77 CO 0.32 -0.15 0.19 -3.38 0.00 0.00 0.00 175.76 172.74 1yhq s HIS 78 N -2.28 0.15 0.23 0.00 -3.43 -0.50 -4.96 115.29 104.50 1yhq s HIS 78 Ca 0.49 -0.56 0.07 0.00 -0.80 0.00 0.00 55.06 54.26 1yhq s HIS 78 Cb -0.09 -0.06 -0.04 0.00 -1.43 0.00 0.00 32.58 30.96 1yhq s HIS 78 CO 0.31 -0.53 0.17 -0.51 -2.00 0.00 0.00 174.74 172.18 1yhq s LEU 79 N -2.78 3.76 0.10 5.38 1.43 -1.26 -2.14 118.68 123.16 1yhq s LEU 79 Ca 0.04 -0.26 -0.00 0.00 -1.03 0.00 0.00 54.13 52.88 1yhq s LEU 79 Cb 0.04 -2.31 -0.04 0.00 0.03 0.00 0.00 46.19 43.92 1yhq s LEU 79 CO -0.10 -0.01 -0.01 -0.13 0.23 0.00 0.00 176.35 176.33 1yhq s ARG 80 N -3.67 0.81 0.41 1.70 0.52 -1.26 -5.03 118.95 112.42 1yhq s ARG 80 Ca 0.32 -1.35 -0.27 0.00 -0.52 0.00 0.00 55.73 53.92 1yhq s ARG 80 Cb -0.08 0.09 -0.10 0.00 0.52 0.00 0.00 34.95 35.38 1yhq s ARG 80 CO 0.24 -0.14 1.44 -1.21 0.02 0.00 0.00 175.30 175.65 1yhq s GLU 81 N -3.94 3.94 0.51 3.54 2.02 -1.26 -4.86 118.70 118.65 1yhq s GLU 81 Ca 0.15 2.46 0.04 0.00 0.02 0.00 0.00 54.97 57.65 1yhq s GLU 81 Cb 0.07 -2.83 0.03 0.00 0.10 0.00 0.00 34.13 31.50 1yhq s GLU 81 CO -0.04 -0.63 0.71 0.20 0.02 0.00 0.00 175.26 175.53 1yhq s GLY 82 N -0.35 1.86 0.01 -1.39 0.00 -1.26 -4.97 107.32 101.22 1yhq s GLY 82 Ca 0.56 -1.54 0.02 0.00 0.00 0.00 0.00 44.72 43.76 1yhq s GLY 82 CO 0.59 -1.26 -0.07 0.66 0.00 0.00 0.00 173.10 173.02 1yhq s TRP 83 N -2.62 0.59 0.17 1.90 -2.14 -1.26 -4.70 118.94 110.88 1yhq s TRP 83 Ca 0.57 -0.20 -0.33 0.00 2.66 0.00 0.00 56.10 58.80 1yhq s TRP 83 Cb -0.10 -0.37 -0.14 0.00 -3.10 0.00 0.00 33.47 29.76 1yhq s TRP 83 CO 0.37 -0.02 1.52 0.54 -2.66 0.00 0.00 176.95 176.69 1yhq n ARG 84 N 2.58 2.04 -3.66 3.25 1.74 -1.26 -1.26 116.66 120.09 1yhq n ARG 84 Ca -0.15 0.73 -0.08 0.00 -0.77 0.00 0.00 57.85 57.58 1yhq n ARG 84 Cb 0.57 -2.47 -0.09 0.00 -1.02 0.00 0.00 32.46 29.45 1yhq n ARG 84 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1yhq s ALA 85 N 0.65 -1.24 0.22 7.54 0.00 -0.92 -4.90 121.76 123.11 1yhq s ALA 85 Ca 0.77 1.60 -0.09 0.00 0.00 0.00 0.00 51.96 54.24 1yhq s ALA 85 Cb -0.69 -1.34 0.21 0.00 0.00 0.00 0.00 23.12 21.29 1yhq s ALA 85 CO 0.41 -0.73 1.87 0.78 0.00 0.00 0.00 175.76 178.09 1yhq h GLY 86 N 8.07 1.12 -4.19 0.00 0.00 -1.94 -3.39 103.07 102.74 1yhq h GLY 86 Ca -0.18 -0.39 -0.13 0.00 0.00 0.00 0.00 47.33 46.64 1yhq h GLY 86 CO 0.13 0.35 -0.50 -1.60 0.00 0.00 0.00 176.54 174.92 1yhq s ARG 87 N -6.12 0.58 -0.15 4.80 3.52 -1.26 -4.93 118.95 115.39 1yhq s ARG 87 Ca -0.13 -0.66 -0.04 0.00 -0.13 0.00 0.00 55.73 54.77 1yhq s ARG 87 Cb 0.16 0.23 0.06 0.00 -1.56 0.00 0.00 34.95 33.84 1yhq s ARG 87 CO 0.78 -0.15 0.14 -1.17 -0.81 0.00 0.00 175.30 174.10 1yhq s LEU 88 N -1.95 0.11 -0.08 -0.88 2.96 -1.26 0.07 118.68 117.66 1yhq s LEU 88 Ca -0.07 -0.26 0.04 0.00 -0.22 0.00 0.00 54.13 53.62 1yhq s LEU 88 Cb -0.03 0.05 -0.02 0.00 0.50 0.00 0.00 46.19 46.70 1yhq s LEU 88 CO -0.03 -0.31 -0.19 -1.61 -1.32 0.00 0.00 176.35 172.89 1yhq s GLU 89 N 2.23 2.78 0.17 1.98 2.02 -0.71 -4.98 118.70 122.19 1yhq s GLU 89 Ca 0.04 -0.79 -0.16 0.00 0.02 0.00 0.00 54.97 54.08 1yhq s GLU 89 Cb -0.15 -2.35 -0.07 0.00 0.10 0.00 0.00 34.13 31.66 1yhq s GLU 89 CO -0.09 0.39 0.60 -0.06 0.02 0.00 0.00 175.26 176.13 1yhq s PHE 90 N -0.16 3.62 -0.55 1.61 0.40 -1.26 -1.15 117.98 120.50 1yhq s PHE 90 Ca -0.02 1.16 -0.19 0.00 -0.60 0.00 0.00 56.93 57.28 1yhq s PHE 90 Cb -0.14 -2.45 0.08 0.00 0.51 0.00 0.00 43.02 41.02 1yhq s PHE 90 CO 0.04 0.40 0.67 -0.65 0.70 0.00 0.00 175.22 176.38 1yhq s GLN 91 N -1.95 3.09 0.00 0.44 -0.21 0.21 -4.84 119.66 116.40 1yhq s GLN 91 Ca 0.39 -1.04 0.00 0.00 0.02 0.00 0.00 55.36 54.73 1yhq s GLN 91 Cb -0.16 -4.17 0.00 0.00 1.00 0.00 0.00 33.01 29.69 1yhq s GLN 91 CO 0.20 -1.37 0.00 0.39 -2.12 0.00 0.00 175.29 172.38