#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hqy s THR 2 N 0.00 0.11 -0.18 1.09 2.01 -1.26 -2.14 115.64 115.26 1hqy s THR 2 Ca 0.00 0.18 -0.01 0.00 0.31 0.00 0.00 61.69 62.17 1hqy s THR 2 Cb 0.00 -0.25 -0.00 0.00 0.01 0.00 0.00 72.50 72.26 1hqy s THR 2 CO 0.00 0.16 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.35 1hqy s ILE 3 N 1.40 2.92 -0.03 1.82 -1.09 -0.30 -2.94 121.20 122.98 1hqy s ILE 3 Ca -0.05 -0.67 0.07 0.00 -2.23 0.00 0.00 60.65 57.78 1hqy s ILE 3 Cb -0.13 -2.27 -0.02 0.00 -1.58 0.00 0.00 42.46 38.45 1hqy s ILE 3 CO -0.03 0.48 -0.23 -0.69 -1.23 0.00 0.00 174.94 173.24 1hqy s VAL 4 N 1.11 2.29 -0.08 2.92 1.01 0.23 -1.82 120.40 126.05 1hqy s VAL 4 Ca 0.01 -1.03 -0.02 0.00 0.00 0.00 0.00 61.98 60.94 1hqy s VAL 4 Cb -0.14 -1.82 0.03 0.00 0.00 0.00 0.00 36.38 34.45 1hqy s VAL 4 CO -0.03 0.58 0.02 -0.55 0.00 0.00 0.00 175.10 175.11 1hqy s SER 5 N -0.65 1.68 0.22 3.32 0.15 -0.41 0.61 113.70 118.61 1hqy s SER 5 Ca 0.10 -0.15 0.10 0.00 0.70 0.00 0.00 55.95 56.71 1hqy s SER 5 Cb -0.10 -0.41 -0.04 0.00 -1.71 0.00 0.00 66.02 63.75 1hqy s SER 5 CO -0.01 -0.22 -0.15 -0.69 1.20 0.00 0.00 173.24 173.38 1hqy s VAL 6 N 1.99 2.81 -0.21 4.45 1.01 -1.21 -2.11 120.40 127.14 1hqy s VAL 6 Ca 0.04 -1.97 -0.04 0.00 0.00 0.00 0.00 61.98 60.01 1hqy s VAL 6 Cb -0.13 -2.41 0.08 0.00 0.00 0.00 0.00 36.38 33.92 1hqy s VAL 6 CO -0.05 -0.21 0.16 -0.60 0.00 0.00 0.00 175.10 174.40 1hqy s ARG 7 N -3.04 0.15 0.04 2.72 3.52 -1.26 -1.14 118.95 119.92 1hqy s ARG 7 Ca 0.26 -0.03 0.04 0.00 -0.13 0.00 0.00 55.73 55.87 1hqy s ARG 7 Cb -0.07 -1.41 -0.02 0.00 -1.56 0.00 0.00 34.95 31.88 1hqy s ARG 7 CO 0.14 -0.73 -0.13 0.50 -0.81 0.00 0.00 175.30 174.27 1hqy s ARG 8 N 2.23 0.88 -0.05 5.12 3.52 0.62 -4.96 118.95 126.30 1hqy s ARG 8 Ca 0.05 -0.72 -0.04 0.00 -0.13 0.00 0.00 55.73 54.89 1hqy s ARG 8 Cb -0.16 -0.86 0.01 0.00 -1.56 0.00 0.00 34.95 32.38 1hqy s ARG 8 CO -0.15 0.21 0.07 0.09 -0.81 0.00 0.00 175.30 174.71 1hqy n ASN 9 N 1.94 -1.39 -1.37 -2.12 3.02 -1.26 0.11 115.26 114.20 1hqy n ASN 9 Ca -0.18 0.03 -0.10 0.00 -0.03 0.00 0.00 54.58 54.30 1hqy n ASN 9 Cb 0.55 -0.36 -0.04 0.00 -0.61 0.00 0.00 39.78 39.31 1hqy n ASN 9 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1hqy n GLY 10 N 0.35 0.91 2.85 7.41 0.00 -1.26 -4.63 105.19 110.83 1hqy n GLY 10 Ca -0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 1hqy n GLY 10 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1hqy s HIS 11 N -1.92 1.16 -0.04 1.61 3.76 0.12 0.09 115.29 120.06 1hqy s HIS 11 Ca 0.00 -0.52 0.02 0.00 -0.15 0.00 0.00 55.06 54.41 1hqy s HIS 11 Cb 0.00 -1.06 0.01 0.00 1.11 0.00 0.00 32.58 32.64 1hqy s HIS 11 CO 0.00 -0.44 -0.10 0.54 -0.85 0.00 0.00 174.74 173.89 1hqy s VAL 12 N 1.81 0.89 0.44 -0.90 0.11 -0.67 -0.27 120.40 121.81 1hqy s VAL 12 Ca 0.05 -0.39 0.03 0.00 -2.93 0.00 0.00 61.98 58.74 1hqy s VAL 12 Cb -0.13 -0.80 -0.03 0.00 -1.53 0.00 0.00 36.38 33.89 1hqy s VAL 12 CO -0.07 0.28 0.06 0.68 -3.33 0.00 0.00 175.10 172.72 1hqy s VAL 13 N 0.34 1.02 -0.25 2.04 -7.23 -0.30 -1.27 120.40 114.76 1hqy s VAL 13 Ca -0.06 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.05 1hqy s VAL 13 Cb -0.11 -2.40 0.13 0.00 0.56 0.00 0.00 36.38 34.56 1hqy s VAL 13 CO 0.01 0.00 0.51 -0.63 -0.31 0.00 0.00 175.10 174.68 1hqy s ILE 14 N -3.04 -0.80 -0.03 -0.62 1.01 -1.03 -3.31 121.20 113.38 1hqy s ILE 14 Ca 0.20 0.05 0.06 0.00 0.00 0.00 0.00 60.65 60.96 1hqy s ILE 14 Cb 0.04 -0.84 -0.01 0.00 0.01 0.00 0.00 42.46 41.65 1hqy s ILE 14 CO 0.11 0.01 -0.22 0.00 0.00 0.00 0.00 174.94 174.83 1hqy s ALA 15 N 2.72 1.87 0.23 9.38 0.00 0.20 -2.40 121.76 133.77 1hqy s ALA 15 Ca 0.03 -0.94 0.03 0.00 0.00 0.00 0.00 51.96 51.08 1hqy s ALA 15 Cb -0.13 -0.52 -0.05 0.00 0.00 0.00 0.00 23.12 22.42 1hqy s ALA 15 CO -0.16 0.42 0.02 0.20 0.00 0.00 0.00 175.76 176.24 1hqy s GLY 16 N -0.36 1.57 0.00 0.00 0.00 -1.02 0.74 107.32 108.25 1hqy s GLY 16 Ca 0.04 -1.77 0.00 0.00 0.00 0.00 0.00 44.72 42.99 1hqy s GLY 16 CO 0.01 -1.63 0.00 2.09 0.00 0.00 0.00 173.10 173.56 1hqy n ASP 17 N -0.41 0.00 -0.73 1.64 5.75 -1.15 -2.86 116.55 118.79 1hqy n ASP 17 Ca -0.04 -0.50 0.02 0.00 -0.01 0.00 0.00 54.79 54.26 1hqy n ASP 17 Cb 0.64 0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.76 1hqy n ASP 17 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1hqy n GLY 18 N 5.00 1.16 3.79 6.12 0.00 -1.03 -4.37 105.19 115.86 1hqy n GLY 18 Ca 0.00 -0.36 -0.39 0.00 0.00 0.00 0.00 46.02 45.27 1hqy n GLY 18 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1hqy s GLN 19 N -0.36 4.34 -0.09 1.61 0.74 -1.25 0.01 119.66 124.67 1hqy s GLN 19 Ca 0.13 0.89 0.03 0.00 0.05 0.00 0.00 55.36 56.45 1hqy s GLN 19 Cb 0.14 -3.26 0.01 0.00 1.10 0.00 0.00 33.01 30.99 1hqy s GLN 19 CO -0.04 0.57 -0.18 0.00 -0.55 0.00 0.00 175.29 175.09 1hqy s ALA 20 N -0.96 1.73 -0.04 1.58 0.00 -0.23 -4.67 121.76 119.16 1hqy s ALA 20 Ca 0.32 -0.71 0.04 0.00 0.00 0.00 0.00 51.96 51.61 1hqy s ALA 20 Cb -0.21 -0.73 -0.03 0.00 0.00 0.00 0.00 23.12 22.16 1hqy s ALA 20 CO 0.21 0.13 -0.16 0.99 0.00 0.00 0.00 175.76 176.93 1hqy s THR 21 N 0.62 2.91 -0.20 0.00 2.01 -1.26 -1.07 115.64 118.65 1hqy s THR 21 Ca -0.14 -0.80 -0.00 0.00 0.31 0.00 0.00 61.69 61.05 1hqy s THR 21 Cb -0.16 -2.13 0.05 0.00 0.01 0.00 0.00 72.50 70.27 1hqy s THR 21 CO 0.04 0.57 -0.04 -0.22 -0.69 0.00 0.00 174.62 174.29 1hqy s LEU 22 N -0.76 1.99 0.00 4.42 2.96 -0.06 -4.89 118.68 122.33 1hqy s LEU 22 Ca 0.11 -0.93 0.00 0.00 -0.22 0.00 0.00 54.13 53.10 1hqy s LEU 22 Cb -0.11 -0.99 0.00 0.00 0.50 0.00 0.00 46.19 45.60 1hqy s LEU 22 CO 0.01 -0.23 0.00 0.61 -1.32 0.00 0.00 176.35 175.42 1hqy n GLY 23 N 4.81 2.54 0.24 7.98 0.00 -1.26 -1.32 105.19 118.18 1hqy n GLY 23 Ca -0.12 0.14 0.05 0.00 0.00 0.00 0.00 46.02 46.10 1hqy n GLY 23 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1hqy n ASN 24 N 10.38 2.52 -4.39 1.61 3.02 -1.26 -5.02 115.26 122.13 1hqy n ASN 24 Ca 0.00 -2.51 -0.27 0.00 -0.03 0.00 0.00 54.58 51.78 1hqy n ASN 24 Cb 0.00 -0.25 -0.12 0.00 -0.61 0.00 0.00 39.78 38.79 1hqy n ASN 24 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1hqy s THR 25 N -1.88 2.19 -0.25 3.41 -4.23 -0.43 -5.10 115.64 109.35 1hqy s THR 25 Ca 0.20 -1.86 -0.23 0.00 -1.18 0.00 0.00 61.69 58.62 1hqy s THR 25 Cb 0.16 -1.99 -0.01 0.00 1.34 0.00 0.00 72.50 72.01 1hqy s THR 25 CO 0.05 -0.05 0.77 -0.69 -0.54 0.00 0.00 174.62 174.15 1hqy s VAL 26 N -1.41 4.88 -0.06 2.29 1.01 -1.26 -0.88 120.40 124.96 1hqy s VAL 26 Ca 0.16 1.42 -0.09 0.00 0.00 0.00 0.00 61.98 63.47 1hqy s VAL 26 Cb -0.09 -4.06 -0.29 0.00 0.00 0.00 0.00 36.38 31.94 1hqy s VAL 26 CO 0.07 -0.05 0.60 -0.03 0.00 0.00 0.00 175.10 175.69 1hqy h MET 27 N 7.77 0.35 -3.22 2.72 -1.53 -1.44 -3.48 114.93 116.10 1hqy h MET 27 Ca -0.24 -0.60 -0.16 0.00 -3.44 0.00 0.00 59.70 55.27 1hqy h MET 27 Cb 1.10 0.22 -0.24 0.00 -0.55 0.00 0.00 31.60 32.14 1hqy h MET 27 CO 0.84 1.27 -0.43 0.21 0.14 0.00 0.00 176.91 178.95 1hqy s LYS 28 N -2.58 0.38 -0.05 0.39 2.20 -1.21 -5.00 119.74 113.88 1hqy s LYS 28 Ca -0.17 0.10 0.15 0.00 -0.36 0.00 0.00 55.97 55.68 1hqy s LYS 28 Cb 0.06 0.17 -0.23 0.00 -1.51 0.00 0.00 37.83 36.33 1hqy s LYS 28 CO 0.83 -0.07 0.27 0.41 -0.36 0.00 0.00 175.35 176.43 1hqy n GLY 29 N 2.39 -0.71 2.36 5.54 0.00 -1.25 -1.07 105.19 112.44 1hqy n GLY 29 Ca -0.16 -0.34 -0.31 0.00 0.00 0.00 0.00 46.02 45.21 1hqy n GLY 29 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1hqy n ASN 30 N -2.16 6.41 -4.72 1.61 2.04 -1.05 -3.74 115.26 113.65 1hqy n ASN 30 Ca -0.08 -3.78 -0.42 0.00 -0.44 0.00 0.00 54.58 49.87 1hqy n ASN 30 Cb 0.54 -0.73 -0.03 0.00 -2.53 0.00 0.00 39.78 37.03 1hqy n ASN 30 CO 0.00 0.00 0.00 -0.69 -0.44 0.00 0.00 177.26 176.13 1hqy s VAL 31 N -4.90 3.25 -0.50 3.53 1.01 0.10 -4.94 120.40 117.94 1hqy s VAL 31 Ca 0.56 0.94 -0.24 0.00 0.00 0.00 0.00 61.98 63.24 1hqy s VAL 31 Cb 0.45 -3.60 0.03 0.00 0.00 0.00 0.00 36.38 33.27 1hqy s VAL 31 CO -0.09 0.10 0.88 -0.75 0.00 0.00 0.00 175.10 175.24 1hqy s LYS 32 N 0.67 3.38 0.00 2.72 2.20 -1.26 -4.18 119.74 123.27 1hqy s LYS 32 Ca 0.62 -0.16 0.19 0.00 -0.36 0.00 0.00 55.97 56.26 1hqy s LYS 32 Cb -0.37 -4.00 0.35 0.00 -1.51 0.00 0.00 37.83 32.30 1hqy s LYS 32 CO 0.33 -1.32 1.29 1.63 -0.36 0.00 0.00 175.35 176.92 1hqy n LYS 33 N 7.14 2.26 -4.16 4.03 5.02 -1.26 -4.94 118.16 126.24 1hqy n LYS 33 Ca 0.02 -2.08 -0.16 0.00 -2.02 0.00 0.00 58.31 54.07 1hqy n LYS 33 Cb 0.48 -1.43 -0.12 0.00 -0.02 0.00 0.00 35.03 33.94 1hqy n LYS 33 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1hqy s VAL 34 N -1.33 0.82 0.19 -0.18 1.01 -1.26 -1.18 120.40 118.47 1hqy s VAL 34 Ca 0.32 -1.05 -0.24 0.00 0.00 0.00 0.00 61.98 61.01 1hqy s VAL 34 Cb 0.19 -0.81 0.06 0.00 0.00 0.00 0.00 36.38 35.82 1hqy s VAL 34 CO 0.26 -0.21 0.92 0.00 0.00 0.00 0.00 175.10 176.08 1hqy s ARG 35 N -1.40 1.34 0.11 2.72 1.70 0.44 -4.98 118.95 118.88 1hqy s ARG 35 Ca -0.04 -0.76 0.02 0.00 -0.47 0.00 0.00 55.73 54.48 1hqy s ARG 35 Cb -0.09 0.45 -0.04 0.00 -0.57 0.00 0.00 34.95 34.70 1hqy s ARG 35 CO 0.01 -0.62 0.22 1.03 -1.08 0.00 0.00 175.30 174.86 1hqy s ARG 36 N -3.27 3.33 0.05 3.89 0.52 -1.26 -0.93 118.95 121.28 1hqy s ARG 36 Ca 0.13 -0.57 -0.11 0.00 -0.52 0.00 0.00 55.73 54.66 1hqy s ARG 36 Cb -0.02 -2.94 0.01 0.00 0.52 0.00 0.00 34.95 32.52 1hqy s ARG 36 CO 0.04 0.56 0.25 -0.51 0.02 0.00 0.00 175.30 175.65 1hqy s LEU 37 N -2.85 1.13 -0.71 2.53 1.43 0.33 -4.90 118.68 115.65 1hqy s LEU 37 Ca 0.34 -0.30 -0.01 0.00 -1.03 0.00 0.00 54.13 53.13 1hqy s LEU 37 Cb -0.12 1.16 -0.01 0.00 0.03 0.00 0.00 46.19 47.25 1hqy s LEU 37 CO 0.27 -0.60 0.66 0.00 0.23 0.00 0.00 176.35 176.91 1hqy n TYR 38 N 0.58 -2.65 -4.16 0.29 9.36 -1.26 -1.58 117.16 117.74 1hqy n TYR 38 Ca -0.18 1.00 -0.30 0.00 3.32 0.00 0.00 57.90 61.73 1hqy n TYR 38 Cb 0.59 -3.89 -0.05 0.00 -0.63 0.00 0.00 39.34 35.37 1hqy n TYR 38 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 1hqy n ASN 39 N -1.87 -0.66 0.00 2.98 4.13 -1.26 -0.85 115.26 117.73 1hqy n ASN 39 Ca -0.01 -1.10 0.00 0.00 1.68 0.00 0.00 54.58 55.15 1hqy n ASN 39 Cb 0.51 -2.47 0.00 0.00 -1.54 0.00 0.00 39.78 36.28 1hqy n ASN 39 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1hqy n ASP 40 N -2.85 -3.94 0.03 6.41 8.00 -1.23 -4.79 116.55 118.18 1hqy n ASP 40 Ca -0.21 0.00 0.13 0.00 0.71 0.00 0.00 54.79 55.43 1hqy n ASP 40 Cb 0.63 -3.15 0.48 0.00 -0.02 0.00 0.00 41.12 39.07 1hqy n ASP 40 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1hqy n LYS 41 N -0.04 0.10 -4.89 -1.24 5.02 -0.03 -4.79 118.16 112.29 1hqy n LYS 41 Ca 0.00 0.07 -0.27 0.00 -2.02 0.00 0.00 58.31 56.09 1hqy n LYS 41 Cb 0.33 -1.60 -0.16 0.00 -0.02 0.00 0.00 35.03 33.58 1hqy n LYS 41 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1hqy s VAL 42 N -3.04 1.52 0.07 -0.18 1.01 -0.61 -4.63 120.40 114.54 1hqy s VAL 42 Ca 0.12 -0.76 0.07 0.00 0.00 0.00 0.00 61.98 61.41 1hqy s VAL 42 Cb 0.17 -1.31 -0.04 0.00 0.00 0.00 0.00 36.38 35.20 1hqy s VAL 42 CO 0.58 0.44 -0.15 0.27 0.00 0.00 0.00 175.10 176.24 1hqy s ILE 43 N 0.08 3.00 -0.06 2.22 -4.36 -0.29 -0.52 121.20 121.27 1hqy s ILE 43 Ca -0.06 -1.26 -0.15 0.00 -0.26 0.00 0.00 60.65 58.93 1hqy s ILE 43 Cb -0.12 -2.33 0.03 0.00 1.25 0.00 0.00 42.46 41.29 1hqy s ILE 43 CO 0.03 0.23 0.34 0.00 0.24 0.00 0.00 174.94 175.78 1hqy s ALA 44 N -1.05 -0.85 0.17 2.27 0.00 -0.10 -0.88 121.76 121.32 1hqy s ALA 44 Ca 0.17 0.59 0.07 0.00 0.00 0.00 0.00 51.96 52.80 1hqy s ALA 44 Cb -0.11 -0.15 -0.04 0.00 0.00 0.00 0.00 23.12 22.82 1hqy s ALA 44 CO 0.09 -0.23 -0.15 0.20 0.00 0.00 0.00 175.76 175.66 1hqy s GLY 45 N -0.81 1.33 -0.09 0.00 0.00 -0.15 -0.42 107.32 107.17 1hqy s GLY 45 Ca -0.09 -1.54 -0.11 0.00 0.00 0.00 0.00 44.72 42.98 1hqy s GLY 45 CO 0.03 -1.61 0.31 -0.11 0.00 0.00 0.00 173.10 171.71 1hqy s PHE 46 N -2.61 -0.30 -0.21 1.90 -0.71 -0.32 -1.32 117.98 114.41 1hqy s PHE 46 Ca 0.18 0.70 -0.09 0.00 -1.04 0.00 0.00 56.93 56.68 1hqy s PHE 46 Cb -0.03 0.11 -0.05 0.00 -1.21 0.00 0.00 43.02 41.85 1hqy s PHE 46 CO 0.06 -0.21 0.11 0.00 -1.34 0.00 0.00 175.22 173.84 1hqy s ALA 47 N -0.16 3.53 0.00 1.99 0.00 -0.57 -4.89 121.76 121.66 1hqy s ALA 47 Ca -0.03 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.12 1hqy s ALA 47 Cb -0.03 -2.13 0.00 0.00 0.00 0.00 0.00 23.12 20.96 1hqy s ALA 47 CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 175.76 176.19 1hqy n GLY 48 N 3.88 0.51 3.67 0.00 0.00 -1.26 -1.26 105.19 110.73 1hqy n GLY 48 Ca -0.16 -2.24 -0.42 0.00 0.00 0.00 0.00 46.02 43.20 1hqy n GLY 48 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1hqy s GLY 49 N 0.00 1.63 0.16 -0.02 0.00 -1.24 -4.93 107.32 102.92 1hqy s GLY 49 Ca 0.00 0.88 -0.21 0.00 0.00 0.00 0.00 44.72 45.39 1hqy s GLY 49 CO 0.00 2.82 1.61 -0.84 0.00 0.00 0.00 173.10 176.70 1hqy h THR 50 N 5.33 0.31 -0.54 0.90 2.02 -1.95 -0.10 112.91 118.88 1hqy h THR 50 Ca -0.37 0.00 0.01 0.00 0.77 0.00 0.00 66.41 66.82 1hqy h THR 50 Cb 1.17 0.31 -0.03 0.00 -1.74 0.00 0.00 68.15 67.86 1hqy h THR 50 CO 0.94 0.00 0.36 0.00 0.37 0.00 0.00 175.52 177.19 1hqy h ALA 51 N 0.89 1.66 -0.35 6.16 0.00 -1.99 0.18 119.26 125.81 1hqy h ALA 51 Ca 0.18 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 1hqy h ALA 51 Cb 0.49 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1hqy h ALA 51 CO -0.49 0.30 -0.26 -0.44 0.00 0.00 0.00 179.25 178.36 1hqy h ASP 52 N 0.69 0.84 -0.77 0.00 3.45 -1.63 -0.85 116.42 118.16 1hqy h ASP 52 Ca 0.20 -0.44 -0.05 0.00 0.43 0.00 0.00 57.03 57.17 1hqy h ASP 52 Cb -0.02 -0.23 -0.03 0.00 -0.56 0.00 0.00 39.33 38.48 1hqy h ASP 52 CO -0.05 1.10 0.28 0.00 -1.57 0.00 0.00 179.24 179.00 1hqy h ALA 53 N 0.76 1.04 -0.48 3.45 0.00 -0.18 0.65 119.26 124.50 1hqy h ALA 53 Ca 0.07 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1hqy h ALA 53 Cb 0.82 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1hqy h ALA 53 CO 0.07 0.66 0.28 0.35 0.00 0.00 0.00 179.25 180.62 1hqy h PHE 54 N 1.13 0.65 0.26 0.00 3.04 -0.35 0.35 116.94 122.02 1hqy h PHE 54 Ca 0.25 -0.01 -0.00 0.00 3.98 0.00 0.00 57.97 62.19 1hqy h PHE 54 Cb 0.25 -0.21 -0.01 0.00 2.56 0.00 0.00 35.95 38.54 1hqy h PHE 54 CO 0.02 0.46 -0.19 1.15 -2.02 0.00 0.00 178.31 177.74 1hqy h THR 55 N 0.64 0.60 -0.73 4.41 2.02 -0.51 -0.84 112.91 118.50 1hqy h THR 55 Ca 0.17 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.31 1hqy h THR 55 Cb 0.01 0.60 -0.03 0.00 -1.74 0.00 0.00 68.15 66.99 1hqy h THR 55 CO -0.03 0.00 0.28 -0.07 0.37 0.00 0.00 175.52 176.07 1hqy h LEU 56 N -0.45 1.02 -0.40 2.58 3.38 -0.63 -2.66 115.31 118.16 1hqy h LEU 56 Ca -0.02 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.71 1hqy h LEU 56 Cb 0.39 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1hqy h LEU 56 CO 0.00 0.92 0.03 -0.26 0.09 0.00 0.00 178.44 179.23 1hqy h PHE 57 N 1.05 0.73 -0.10 1.13 0.04 -0.19 -1.18 116.94 118.43 1hqy h PHE 57 Ca 0.24 -0.11 0.04 0.00 2.80 0.00 0.00 57.97 60.94 1hqy h PHE 57 Cb 0.23 -0.19 -0.06 0.00 2.20 0.00 0.00 35.95 38.13 1hqy h PHE 57 CO 0.02 0.74 -0.35 0.93 -0.60 0.00 0.00 178.31 179.04 1hqy h GLU 58 N 0.51 -0.43 -0.92 1.51 5.08 -1.00 -0.31 114.58 119.01 1hqy h GLU 58 Ca 0.12 0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.58 1hqy h GLU 58 Cb 0.42 0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.71 1hqy h GLU 58 CO 0.01 -0.29 0.60 1.25 -1.00 0.00 0.00 179.01 179.58 1hqy h LEU 59 N -0.45 0.91 -0.03 1.33 5.85 -1.36 -1.59 115.31 119.96 1hqy h LEU 59 Ca 0.08 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.84 1hqy h LEU 59 Cb 0.58 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 1hqy h LEU 59 CO -0.35 0.57 -0.13 0.15 -0.34 0.00 0.00 178.44 178.34 1hqy h PHE 60 N 1.02 -0.32 -0.24 1.25 3.57 0.14 0.11 116.94 122.47 1hqy h PHE 60 Ca 0.41 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.98 1hqy h PHE 60 Cb 0.26 0.15 -0.07 0.00 2.79 0.00 0.00 35.95 39.07 1hqy h PHE 60 CO -0.00 -0.19 -0.37 0.93 -2.23 0.00 0.00 178.31 176.45 1hqy h GLU 61 N -0.20 -0.37 -0.72 1.11 5.08 -0.26 -0.23 114.58 119.00 1hqy h GLU 61 Ca 0.05 0.02 0.14 0.00 -1.00 0.00 0.00 59.36 58.58 1hqy h GLU 61 Cb 0.27 0.08 -0.14 0.00 0.50 0.00 0.00 28.75 29.47 1hqy h GLU 61 CO -0.15 -0.24 -0.21 -0.09 -1.00 0.00 0.00 179.01 177.32 1hqy h ARG 62 N -0.38 -0.02 0.00 2.33 9.65 -0.40 0.69 114.38 126.25 1hqy h ARG 62 Ca 0.11 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.98 1hqy h ARG 62 Cb 0.57 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.16 1hqy h ARG 62 CO -0.44 -0.01 -0.06 0.87 2.80 0.00 0.00 179.97 183.12 1hqy h LYS 63 N -0.02 0.00 -0.11 0.20 1.79 0.73 -2.93 116.57 116.23 1hqy h LYS 63 Ca 0.34 0.00 -0.20 0.00 -2.18 0.00 0.00 60.65 58.60 1hqy h LYS 63 Cb 0.54 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.20 1hqy h LYS 63 CO -0.75 0.06 -0.73 -0.07 -1.08 0.00 0.00 179.45 176.88 1hqy h LEU 64 N 0.00 0.83 -1.08 2.94 3.38 0.20 -2.30 115.31 119.29 1hqy h LEU 64 Ca -0.00 -0.66 -0.03 0.00 0.09 0.00 0.00 57.88 57.28 1hqy h LEU 64 Cb 0.26 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 1hqy h LEU 64 CO 0.01 1.36 -0.14 -0.33 0.09 0.00 0.00 178.44 179.43 1hqy h GLU 65 N 0.36 0.00 -0.11 1.13 5.08 -1.40 1.02 114.58 120.67 1hqy h GLU 65 Ca -0.06 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.16 1hqy h GLU 65 Cb 1.37 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.61 1hqy h GLU 65 CO 0.15 0.14 -0.52 1.98 -1.00 0.00 0.00 179.01 179.76 1hqy h MET 66 N 0.00 0.31 -1.06 2.33 4.05 -1.34 -3.28 114.93 115.95 1hqy h MET 66 Ca -0.00 -0.18 -0.51 0.00 -0.28 0.00 0.00 59.70 58.73 1hqy h MET 66 Cb 0.72 0.02 -0.42 0.00 -0.80 0.00 0.00 31.60 31.11 1hqy h MET 66 CO 0.02 0.75 -0.86 0.72 0.23 0.00 0.00 176.91 177.77 1hqy n HIS 67 N -3.94 2.66 -4.19 1.39 8.25 -0.88 -4.97 115.22 113.53 1hqy n HIS 67 Ca -0.02 -2.64 -0.31 0.00 -0.26 0.00 0.00 57.72 54.48 1hqy n HIS 67 Cb 0.56 -0.23 -0.09 0.00 1.12 0.00 0.00 29.99 31.36 1hqy n HIS 67 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1hqy n GLN 68 N -0.52 -0.89 -0.93 -0.41 6.02 -0.98 -0.21 117.38 119.46 1hqy n GLN 68 Ca 0.34 0.09 0.00 0.00 -0.01 0.00 0.00 57.00 57.42 1hqy n GLN 68 Cb 0.81 -3.53 0.00 0.00 1.02 0.00 0.00 30.24 28.54 1hqy n GLN 68 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1hqy n GLY 69 N -2.09 0.20 3.57 1.08 0.00 0.35 -4.91 105.19 103.39 1hqy n GLY 69 Ca -0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.42 1hqy n GLY 69 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1hqy s HIS 70 N -1.46 1.67 0.00 1.61 2.46 0.71 -4.86 115.29 115.41 1hqy s HIS 70 Ca 0.00 0.80 0.00 0.00 0.47 0.00 0.00 55.06 56.33 1hqy s HIS 70 Cb 0.00 -4.06 0.00 0.00 -0.13 0.00 0.00 32.58 28.39 1hqy s HIS 70 CO 0.00 -2.59 0.69 -0.11 -2.47 0.00 0.00 174.74 170.26 1hqy n LEU 71 N 12.04 0.00 -0.08 8.88 -0.00 -1.26 -1.10 117.00 135.48 1hqy n LEU 71 Ca 0.23 0.69 -0.06 0.00 -0.00 0.00 0.00 56.01 56.87 1hqy n LEU 71 Cb 0.50 -0.19 -0.04 0.00 -0.00 0.00 0.00 43.42 43.69 1hqy n LEU 71 CO 0.70 -0.19 0.50 0.58 -0.00 0.00 0.00 177.39 178.98 1hqy h VAL 72 N 0.00 0.00 -0.64 1.96 2.07 -1.96 0.95 116.25 118.62 1hqy h VAL 72 Ca 0.00 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.66 1hqy h VAL 72 Cb 0.00 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 29.66 1hqy h VAL 72 CO 0.00 0.00 -0.05 0.50 0.02 0.00 0.00 177.57 178.04 1hqy h LYS 73 N -0.15 0.07 0.00 1.57 3.11 -1.96 0.97 116.57 120.18 1hqy h LYS 73 Ca 0.04 -0.00 -0.06 0.00 -2.81 0.00 0.00 60.65 57.81 1hqy h LYS 73 Cb 0.25 -0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 31.46 1hqy h LYS 73 CO -0.29 0.05 -0.29 0.00 -2.81 0.00 0.00 179.45 176.11 1hqy h ALA 74 N 1.61 1.29 -0.01 5.00 0.00 -0.46 -2.87 119.26 123.82 1hqy h ALA 74 Ca 0.33 -0.26 -0.25 0.00 0.00 0.00 0.00 54.91 54.73 1hqy h ALA 74 Cb 0.54 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.29 1hqy h ALA 74 CO -0.59 0.36 -0.99 0.00 0.00 0.00 0.00 179.25 178.04 1hqy h ALA 75 N 1.71 0.24 -0.43 0.00 0.00 0.68 -3.19 119.26 118.26 1hqy h ALA 75 Ca -0.00 -0.70 -0.08 0.00 0.00 0.00 0.00 54.91 54.13 1hqy h ALA 75 Cb 0.60 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1hqy h ALA 75 CO 0.04 0.74 -0.05 0.28 0.00 0.00 0.00 179.25 180.26 1hqy h VAL 76 N 0.34 1.24 -0.70 0.00 2.07 0.82 -1.65 116.25 118.36 1hqy h VAL 76 Ca -0.10 -1.04 0.01 0.00 0.82 0.00 0.00 66.70 66.38 1hqy h VAL 76 Cb 1.63 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 32.33 1hqy h VAL 76 CO 0.19 0.36 0.47 -0.33 0.02 0.00 0.00 177.57 178.27 1hqy h GLU 77 N 0.68 0.93 -0.85 1.57 4.39 -1.57 -0.63 114.58 119.10 1hqy h GLU 77 Ca 0.13 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.77 1hqy h GLU 77 Cb 0.49 -0.21 -0.04 0.00 -0.10 0.00 0.00 28.75 28.89 1hqy h GLU 77 CO 0.03 0.61 0.52 1.25 -1.16 0.00 0.00 179.01 180.25 1hqy h LEU 78 N 0.95 1.01 -2.30 1.33 5.85 -1.37 0.37 115.31 121.16 1hqy h LEU 78 Ca 0.26 -0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.93 1hqy h LEU 78 Cb -0.11 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 40.66 1hqy h LEU 78 CO -0.06 0.77 0.04 0.00 -0.34 0.00 0.00 178.44 178.86 1hqy h ALA 79 N 1.40 1.72 -3.00 1.25 0.00 -0.25 -2.01 119.26 118.38 1hqy h ALA 79 Ca 0.31 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1hqy h ALA 79 Cb -0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1hqy h ALA 79 CO -0.06 -0.06 0.00 1.63 0.00 0.00 0.00 179.25 180.76 1hqy n LYS 80 N -4.05 0.00 -0.16 0.00 5.02 0.13 -3.55 118.16 115.55 1hqy n LYS 80 Ca -0.02 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.36 1hqy n LYS 80 Cb 0.13 -0.35 0.17 0.00 -0.02 0.00 0.00 35.03 34.97 1hqy n LYS 80 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1hqy n ASP 81 N -0.12 0.00 -0.01 4.39 8.00 -0.90 -0.18 116.55 127.73 1hqy n ASP 81 Ca 0.00 0.78 -0.12 0.00 0.71 0.00 0.00 54.79 56.16 1hqy n ASP 81 Cb 0.00 -0.31 -0.06 0.00 -0.02 0.00 0.00 41.12 40.73 1hqy n ASP 81 CO 0.00 0.00 0.00 -0.25 -0.39 0.00 0.00 177.20 176.56 1hqy h TRP 82 N 0.00 -1.16 0.00 1.24 2.91 -1.49 0.57 115.95 118.02 1hqy h TRP 82 Ca 0.31 0.05 -0.20 0.00 1.13 0.00 0.00 58.89 60.18 1hqy h TRP 82 Cb 0.70 0.53 -0.03 0.00 -0.51 0.00 0.00 29.16 29.85 1hqy h TRP 82 CO -0.18 -0.46 -1.00 0.07 -1.03 0.00 0.00 178.44 175.84 1hqy h ARG 83 N -0.47 0.00 0.13 2.65 0.11 -0.62 -2.77 114.38 113.42 1hqy h ARG 83 Ca 0.08 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.16 1hqy h ARG 83 Cb 0.61 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.70 1hqy h ARG 83 CO -0.40 0.86 -0.06 0.00 0.10 0.00 0.00 179.97 180.46 1hqy h THR 84 N 0.00 0.78 -3.93 0.08 1.03 -1.24 -3.45 112.91 106.17 1hqy h THR 84 Ca -0.04 -1.23 -0.53 0.00 -0.01 0.00 0.00 66.41 64.60 1hqy h THR 84 Cb 1.73 1.37 0.10 0.00 -1.07 0.00 0.00 68.15 70.27 1hqy h THR 84 CO 0.11 0.22 0.73 -0.62 -0.01 0.00 0.00 175.52 175.95 1hqy s ASP 85 N -5.54 6.41 0.09 0.00 -1.08 0.18 -4.91 116.67 111.81 1hqy s ASP 85 Ca -0.11 2.92 -0.35 0.00 -0.52 0.00 0.00 52.55 54.49 1hqy s ASP 85 Cb -0.00 -2.66 -0.17 0.00 -1.46 0.00 0.00 42.92 38.63 1hqy s ASP 85 CO 0.41 -0.81 1.58 0.03 0.52 0.00 0.00 175.17 176.90 1hqy h ARG 86 N 3.01 -0.95 0.61 4.34 3.08 -1.90 0.65 114.38 123.22 1hqy h ARG 86 Ca -0.50 0.06 -0.03 0.00 0.07 0.00 0.00 59.98 59.58 1hqy h ARG 86 Cb 1.24 0.22 0.01 0.00 0.08 0.00 0.00 29.97 31.51 1hqy h ARG 86 CO 0.64 -0.63 -0.29 0.52 -1.07 0.00 0.00 179.97 179.14 1hqy h MET 87 N -0.98 -0.79 -0.70 0.04 2.86 -1.96 -3.18 114.93 110.21 1hqy h MET 87 Ca -0.06 0.05 0.16 0.00 -2.06 0.00 0.00 59.70 57.79 1hqy h MET 87 Cb 0.85 0.18 -0.12 0.00 0.06 0.00 0.00 31.60 32.57 1hqy h MET 87 CO -0.03 -0.52 0.04 -0.07 1.06 0.00 0.00 176.91 177.38 1hqy h LEU 88 N -0.88 -0.25 -1.83 1.22 4.07 -1.86 0.22 115.31 116.01 1hqy h LEU 88 Ca -0.08 0.17 0.39 0.00 0.08 0.00 0.00 57.88 58.44 1hqy h LEU 88 Cb 0.63 0.29 -0.05 0.00 1.08 0.00 0.00 40.66 42.60 1hqy h LEU 88 CO 0.14 -0.13 1.07 -0.09 -1.08 0.00 0.00 178.44 178.34 1hqy h ARG 89 N 0.14 0.00 0.02 1.13 2.43 -0.55 0.52 114.38 118.07 1hqy h ARG 89 Ca 0.38 0.00 -0.21 0.00 -0.81 0.00 0.00 59.98 59.34 1hqy h ARG 89 Cb 0.66 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.20 1hqy h ARG 89 CO -0.59 0.00 -0.94 0.87 -1.51 0.00 0.00 179.97 177.81 1hqy h LYS 90 N 0.00 0.25 -6.49 0.20 1.57 -0.55 -3.46 116.57 108.08 1hqy h LYS 90 Ca 0.64 -0.29 -0.61 0.00 -1.87 0.00 0.00 60.65 58.52 1hqy h LYS 90 Cb 2.76 0.09 0.07 0.00 0.08 0.00 0.00 32.23 35.23 1hqy h LYS 90 CO -0.01 1.02 0.56 1.28 -0.57 0.00 0.00 179.45 181.73 1hqy n LEU 91 N -3.65 2.63 -4.21 2.94 4.77 0.18 -4.98 117.00 114.68 1hqy n LEU 91 Ca -0.05 1.13 -0.37 0.00 -0.03 0.00 0.00 56.01 56.69 1hqy n LEU 91 Cb 0.84 -1.36 -0.12 0.00 -2.33 0.00 0.00 43.42 40.45 1hqy n LEU 91 CO 0.49 -0.68 -0.24 -1.61 -1.33 0.00 0.00 177.39 174.03 1hqy s GLU 92 N -0.08 2.42 -0.01 3.23 0.41 -1.26 -4.96 118.70 118.44 1hqy s GLU 92 Ca 0.73 -1.40 -0.28 0.00 -0.41 0.00 0.00 54.97 53.60 1hqy s GLU 92 Cb -0.72 -3.47 0.10 0.00 -1.78 0.00 0.00 34.13 28.26 1hqy s GLU 92 CO 0.48 -0.80 0.87 0.00 -0.49 0.00 0.00 175.26 175.31 1hqy s ALA 93 N 1.30 -1.81 -0.12 5.21 0.00 -1.26 -3.70 121.76 121.38 1hqy s ALA 93 Ca 0.00 1.05 0.02 0.00 0.00 0.00 0.00 51.96 53.03 1hqy s ALA 93 Cb -0.21 0.31 0.01 0.00 0.00 0.00 0.00 23.12 23.23 1hqy s ALA 93 CO -0.00 -0.64 -0.17 -0.51 0.00 0.00 0.00 175.76 174.44 1hqy s LEU 94 N -2.29 1.85 -0.09 0.00 1.43 -0.39 -4.44 118.68 114.75 1hqy s LEU 94 Ca 0.03 -0.49 -0.04 0.00 -1.03 0.00 0.00 54.13 52.61 1hqy s LEU 94 Cb -0.01 -1.21 -0.04 0.00 0.03 0.00 0.00 46.19 44.97 1hqy s LEU 94 CO -0.07 0.03 0.05 -0.76 0.23 0.00 0.00 176.35 175.83 1hqy s LEU 95 N 0.95 3.88 -0.15 1.79 1.02 -0.46 -1.52 118.68 124.19 1hqy s LEU 95 Ca -0.06 0.26 0.00 0.00 0.02 0.00 0.00 54.13 54.34 1hqy s LEU 95 Cb -0.15 -1.93 0.03 0.00 0.02 0.00 0.00 46.19 44.15 1hqy s LEU 95 CO -0.02 0.38 -0.12 0.00 0.02 0.00 0.00 176.35 176.62 1hqy s ALA 96 N -0.95 1.72 0.00 4.21 0.00 -0.43 -1.02 121.76 125.29 1hqy s ALA 96 Ca 0.14 -0.84 0.00 0.00 0.00 0.00 0.00 51.96 51.27 1hqy s ALA 96 Cb -0.12 -1.05 -0.00 0.00 0.00 0.00 0.00 23.12 21.96 1hqy s ALA 96 CO 0.04 -0.46 -0.01 0.54 0.00 0.00 0.00 175.76 175.87 1hqy s VAL 97 N 1.54 0.07 0.02 0.00 0.11 -0.67 -0.98 120.40 120.50 1hqy s VAL 97 Ca 0.04 -0.11 -0.10 0.00 -2.93 0.00 0.00 61.98 58.88 1hqy s VAL 97 Cb -0.13 -0.08 0.01 0.00 -1.53 0.00 0.00 36.38 34.64 1hqy s VAL 97 CO -0.10 -0.02 0.20 0.00 -3.33 0.00 0.00 175.10 171.86 1hqy s ALA 98 N -0.13 -0.45 0.00 1.54 0.00 -0.05 -1.45 121.76 121.22 1hqy s ALA 98 Ca -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 51.96 51.85 1hqy s ALA 98 Cb -0.01 0.19 0.00 0.00 0.00 0.00 0.00 23.12 23.30 1hqy s ALA 98 CO -0.00 -0.29 0.00 -0.40 0.00 0.00 0.00 175.76 175.06 1hqy n ASP 99 N 1.04 0.00 0.00 0.00 5.75 -1.13 -1.14 116.55 121.07 1hqy n ASP 99 Ca -0.21 -0.49 0.12 0.00 -0.01 0.00 0.00 54.79 54.20 1hqy n ASP 99 Cb 0.57 0.00 0.56 0.00 -1.03 0.00 0.00 41.12 41.23 1hqy n ASP 99 CO 0.00 0.00 0.00 -1.84 -0.11 0.00 0.00 177.20 175.25 1hqy n GLU 100 N 0.00 0.12 -0.06 0.11 0.28 -1.26 -3.69 120.64 116.14 1hqy n GLU 100 Ca 0.00 0.07 -0.10 0.00 -0.16 0.00 0.00 57.16 56.96 1hqy n GLU 100 Cb 0.00 -1.50 -0.15 0.00 1.43 0.00 0.00 31.44 31.22 1hqy n GLU 100 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 1hqy n THR 101 N -1.43 1.53 -3.63 3.84 -1.04 -1.26 -5.05 114.28 107.24 1hqy n THR 101 Ca 0.08 -0.80 -0.02 0.00 -2.04 0.00 0.00 64.05 61.27 1hqy n THR 101 Cb 0.26 -0.88 -0.02 0.00 -1.82 0.00 0.00 70.33 67.87 1hqy n THR 101 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1hqy s ALA 102 N -2.55 -2.19 0.16 2.41 0.00 -1.24 -5.15 121.76 113.20 1hqy s ALA 102 Ca -0.10 1.77 0.08 0.00 0.00 0.00 0.00 51.96 53.71 1hqy s ALA 102 Cb 0.07 -0.29 -0.04 0.00 0.00 0.00 0.00 23.12 22.86 1hqy s ALA 102 CO 0.81 -0.59 -0.04 -1.12 0.00 0.00 0.00 175.76 174.82 1hqy s SER 103 N -2.12 4.57 -0.18 0.00 0.01 -1.26 -2.84 113.70 111.87 1hqy s SER 103 Ca 0.11 -0.44 -0.32 0.00 1.31 0.00 0.00 55.95 56.61 1hqy s SER 103 Cb -0.00 -0.91 0.14 0.00 0.21 0.00 0.00 66.02 65.46 1hqy s SER 103 CO -0.03 0.11 1.15 -1.48 0.41 0.00 0.00 173.24 173.40 1hqy s LEU 104 N -2.80 -0.20 0.35 2.44 0.05 -0.53 -4.66 118.68 113.33 1hqy s LEU 104 Ca 0.26 0.12 -0.07 0.00 0.05 0.00 0.00 54.13 54.49 1hqy s LEU 104 Cb -0.09 1.51 -0.06 0.00 -2.05 0.00 0.00 46.19 45.50 1hqy s LEU 104 CO 0.17 -0.26 0.65 -0.63 -0.55 0.00 0.00 176.35 175.74 1hqy s ILE 105 N -1.80 4.92 -0.10 1.48 -1.09 0.15 -1.67 121.20 123.08 1hqy s ILE 105 Ca 0.06 0.30 -0.04 0.00 -2.23 0.00 0.00 60.65 58.74 1hqy s ILE 105 Cb -0.01 -3.74 0.05 0.00 -1.58 0.00 0.00 42.46 37.19 1hqy s ILE 105 CO -0.04 -0.43 0.18 -0.63 -1.23 0.00 0.00 174.94 172.79 1hqy s ILE 106 N -2.23 -0.28 0.23 2.92 1.01 -0.19 -2.69 121.20 119.98 1hqy s ILE 106 Ca 0.47 0.29 0.10 0.00 0.00 0.00 0.00 60.65 61.51 1hqy s ILE 106 Cb -0.10 -0.36 -0.05 0.00 0.01 0.00 0.00 42.46 41.96 1hqy s ILE 106 CO 0.31 0.10 -0.18 0.42 0.00 0.00 0.00 174.94 175.59 1hqy s THR 107 N 2.31 2.13 -2.00 2.92 -4.23 -0.89 -1.35 115.64 114.53 1hqy s THR 107 Ca 0.03 -2.26 0.06 0.00 -1.18 0.00 0.00 61.69 58.34 1hqy s THR 107 Cb -0.12 -2.14 0.16 0.00 1.34 0.00 0.00 72.50 71.73 1hqy s THR 107 CO -0.07 -0.45 0.73 0.61 -0.54 0.00 0.00 174.62 174.90 1hqy n GLY 108 N -0.38 -0.29 2.23 3.99 0.00 -1.26 -2.88 105.19 106.60 1hqy n GLY 108 Ca -0.07 -0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.61 1hqy n GLY 108 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1hqy n ASN 109 N -0.80 6.45 -4.25 1.61 5.03 -1.26 -4.04 115.26 117.99 1hqy n ASN 109 Ca 0.04 -3.75 -0.34 0.00 0.87 0.00 0.00 54.58 51.40 1hqy n ASN 109 Cb 0.02 -0.88 -0.05 0.00 -1.02 0.00 0.00 39.78 37.85 1hqy n ASN 109 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1hqy n GLY 110 N -0.95 -0.31 3.19 7.41 0.00 -1.14 -4.92 105.19 108.46 1hqy n GLY 110 Ca 0.59 0.13 -0.29 0.00 0.00 0.00 0.00 46.02 46.46 1hqy n GLY 110 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1hqy s ASP 111 N -3.79 2.61 -0.41 1.61 3.68 -1.23 -5.02 116.67 114.12 1hqy s ASP 111 Ca 0.42 -0.44 0.01 0.00 2.13 0.00 0.00 52.55 54.67 1hqy s ASP 111 Cb -0.24 -0.83 0.13 0.00 -1.45 0.00 0.00 42.92 40.54 1hqy s ASP 111 CO 0.96 0.18 0.22 -0.69 0.13 0.00 0.00 175.17 175.96 1hqy s VAL 112 N 0.05 1.17 0.10 1.11 1.01 -1.26 -2.08 120.40 120.49 1hqy s VAL 112 Ca -0.07 -2.31 -0.06 0.00 0.00 0.00 0.00 61.98 59.54 1hqy s VAL 112 Cb -0.14 -1.83 -0.05 0.00 0.00 0.00 0.00 36.38 34.36 1hqy s VAL 112 CO 0.04 -0.88 0.35 -0.69 0.00 0.00 0.00 175.10 173.92 1hqy s VAL 113 N 0.60 5.19 -0.46 2.92 1.01 -1.09 -4.90 120.40 123.66 1hqy s VAL 113 Ca 0.17 0.14 0.03 0.00 0.00 0.00 0.00 61.98 62.32 1hqy s VAL 113 Cb -0.24 -3.62 0.15 0.00 0.00 0.00 0.00 36.38 32.68 1hqy s VAL 113 CO -0.02 0.17 0.30 -1.58 0.00 0.00 0.00 175.10 173.97 1hqy s GLN 114 N -2.29 1.27 1.01 2.72 0.74 -1.26 0.31 119.66 122.16 1hqy s GLN 114 Ca 0.36 -2.15 -0.20 0.00 0.05 0.00 0.00 55.36 53.43 1hqy s GLN 114 Cb -0.13 -2.13 -0.10 0.00 1.10 0.00 0.00 33.01 31.75 1hqy s GLN 114 CO 0.21 -1.24 -0.73 -0.35 -0.55 0.00 0.00 175.29 172.63 1hqy n PRO 115 N 3.19 -0.25 -0.30 1.67 -0.04 -1.26 -4.79 135.00 133.23 1hqy n PRO 115 Ca 0.16 -0.06 0.14 0.00 -0.04 0.00 0.00 63.50 63.70 1hqy n PRO 115 Cb 0.38 -1.23 0.28 0.00 -0.04 0.00 0.00 33.50 32.89 1hqy n PRO 115 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1hqy n GLU 116 N 1.25 -0.07 -1.27 0.54 4.71 -1.26 -2.29 120.64 122.25 1hqy n GLU 116 Ca -0.00 1.28 0.04 0.00 -0.01 0.00 0.00 57.16 58.46 1hqy n GLU 116 Cb 0.62 -2.06 0.09 0.00 -1.01 0.00 0.00 31.44 29.08 1hqy n GLU 116 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1hqy n ASN 117 N -5.22 1.37 -0.35 1.62 3.02 -1.26 -4.88 115.26 109.57 1hqy n ASN 117 Ca 0.21 -2.69 -0.05 0.00 -0.03 0.00 0.00 54.58 52.03 1hqy n ASN 117 Cb 0.71 -0.39 -0.02 0.00 -0.61 0.00 0.00 39.78 39.47 1hqy n ASN 117 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1hqy n ASP 118 N -0.13 -3.85 -4.54 6.41 9.92 -0.97 -4.66 116.55 118.73 1hqy n ASP 118 Ca 0.11 0.11 -0.43 0.00 -0.53 0.00 0.00 54.79 54.06 1hqy n ASP 118 Cb 0.97 -1.75 -0.04 0.00 -0.64 0.00 0.00 41.12 39.65 1hqy n ASP 118 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1hqy s LEU 119 N -1.05 4.13 -0.05 0.64 2.96 -1.26 -4.53 118.68 119.52 1hqy s LEU 119 Ca 0.00 -0.13 0.02 0.00 -0.22 0.00 0.00 54.13 53.81 1hqy s LEU 119 Cb 0.00 -2.99 -0.03 0.00 0.50 0.00 0.00 46.19 43.67 1hqy s LEU 119 CO 0.00 -1.07 -0.09 -0.63 -1.32 0.00 0.00 176.35 173.24 1hqy s ILE 120 N 3.67 3.48 -0.28 6.68 1.01 -0.90 -4.60 121.20 130.26 1hqy s ILE 120 Ca 0.32 -0.63 0.01 0.00 0.00 0.00 0.00 60.65 60.36 1hqy s ILE 120 Cb -0.12 -2.42 0.17 0.00 0.01 0.00 0.00 42.46 40.10 1hqy s ILE 120 CO 0.23 0.55 0.48 0.00 0.00 0.00 0.00 174.94 176.20 1hqy s ALA 121 N -0.83 -1.69 0.32 9.38 0.00 -1.25 -1.29 121.76 126.40 1hqy s ALA 121 Ca 0.13 0.89 0.06 0.00 0.00 0.00 0.00 51.96 53.04 1hqy s ALA 121 Cb -0.11 -2.13 -0.06 0.00 0.00 0.00 0.00 23.12 20.82 1hqy s ALA 121 CO 0.02 -1.59 -0.01 0.96 0.00 0.00 0.00 175.76 175.14 1hqy s ILE 122 N 2.68 1.62 0.00 0.00 -4.36 -0.76 -4.48 121.20 115.90 1hqy s ILE 122 Ca 0.13 -2.07 0.00 0.00 -0.26 0.00 0.00 60.65 58.45 1hqy s ILE 122 Cb -0.13 -2.68 0.00 0.00 1.25 0.00 0.00 42.46 40.91 1hqy s ILE 122 CO -0.24 -0.14 0.00 0.61 0.24 0.00 0.00 174.94 175.40 1hqy n GLY 123 N -0.71 1.89 0.47 6.27 0.00 -1.26 -1.15 105.19 110.70 1hqy n GLY 123 Ca -0.04 -1.90 0.29 0.00 0.00 0.00 0.00 46.02 44.37 1hqy n GLY 123 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1hqy h SER 124 N 0.00 0.22 -0.16 1.61 4.64 -1.83 0.68 113.55 118.70 1hqy h SER 124 Ca 0.00 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1hqy h SER 124 Cb 0.00 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1hqy h SER 124 CO 0.00 0.03 0.00 0.61 -0.87 0.00 0.00 176.83 176.60 1hqy n GLY 125 N -1.62 0.82 0.39 -0.77 0.00 -1.12 -4.61 105.19 98.28 1hqy n GLY 125 Ca 0.26 -0.58 -0.07 0.00 0.00 0.00 0.00 46.02 45.62 1hqy n GLY 125 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1hqy h GLY 126 N 4.77 -0.42 0.57 -0.02 0.00 0.29 -2.05 103.07 106.21 1hqy h GLY 126 Ca 0.00 0.59 0.05 0.00 0.00 0.00 0.00 47.33 47.96 1hqy h GLY 126 CO 0.00 -0.14 -0.01 -2.55 0.00 0.00 0.00 176.54 173.84 1hqy h PRO 127 N -0.16 0.06 -0.95 4.80 0.11 -1.79 0.17 132.00 134.24 1hqy h PRO 127 Ca 0.20 -0.00 0.09 0.00 0.11 0.00 0.00 66.00 66.41 1hqy h PRO 127 Cb 0.55 -0.01 -0.08 0.00 0.11 0.00 0.00 31.00 31.57 1hqy h PRO 127 CO -0.77 0.04 0.59 1.88 -0.21 0.00 0.00 178.00 179.53 1hqy h TYR 128 N 0.06 1.08 -0.35 0.65 0.05 -1.78 0.55 116.97 117.23 1hqy h TYR 128 Ca 0.12 0.03 -0.05 0.00 0.05 0.00 0.00 58.73 58.89 1hqy h TYR 128 Cb 0.17 -0.35 -0.01 0.00 1.01 0.00 0.00 36.73 37.55 1hqy h TYR 128 CO -0.21 0.48 0.04 0.00 -1.05 0.00 0.00 178.16 177.41 1hqy h ALA 129 N 1.49 0.47 -0.01 3.88 0.00 -0.61 -2.33 119.26 122.14 1hqy h ALA 129 Ca 0.45 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 55.17 1hqy h ALA 129 Cb 0.34 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1hqy h ALA 129 CO -0.23 0.19 -0.17 0.37 0.00 0.00 0.00 179.25 179.41 1hqy h GLN 130 N 0.42 -0.26 -0.49 0.00 4.15 0.17 0.16 115.11 119.26 1hqy h GLN 130 Ca 0.10 0.02 0.10 0.00 0.77 0.00 0.00 58.65 59.64 1hqy h GLN 130 Cb 0.39 0.06 -0.10 0.00 0.21 0.00 0.00 27.48 28.04 1hqy h GLN 130 CO 0.01 -0.18 -0.24 0.00 -1.93 0.00 0.00 178.83 176.50 1hqy h ALA 131 N 0.66 0.10 -0.29 3.38 0.00 0.17 0.17 119.26 123.45 1hqy h ALA 131 Ca 0.06 0.16 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 1hqy h ALA 131 Cb 0.35 0.58 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1hqy h ALA 131 CO -0.17 -0.58 -0.08 0.00 0.00 0.00 0.00 179.25 178.42 1hqy h ALA 132 N 1.16 0.40 -0.68 0.00 0.00 -1.11 -2.44 119.26 116.59 1hqy h ALA 132 Ca 0.23 -0.28 0.04 0.00 0.00 0.00 0.00 54.91 54.89 1hqy h ALA 132 Cb 0.48 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1hqy h ALA 132 CO -0.57 0.22 0.45 0.00 0.00 0.00 0.00 179.25 179.35 1hqy h ALA 133 N 0.78 1.66 0.28 0.00 0.00 0.13 -0.38 119.26 121.72 1hqy h ALA 133 Ca 0.07 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1hqy h ALA 133 Cb 0.56 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1hqy h ALA 133 CO 0.03 0.26 -0.13 -0.09 0.00 0.00 0.00 179.25 179.31 1hqy h ARG 134 N 0.78 -0.36 -0.22 0.00 9.65 -0.57 -1.06 114.38 122.59 1hqy h ARG 134 Ca 0.28 0.02 0.06 0.00 -1.10 0.00 0.00 59.98 59.24 1hqy h ARG 134 Cb 0.13 0.08 -0.06 0.00 -1.39 0.00 0.00 29.97 28.74 1hqy h ARG 134 CO -0.08 -0.07 -0.16 0.00 2.80 0.00 0.00 179.97 182.46 1hqy h ALA 135 N -0.03 0.00 -0.16 2.80 0.00 -0.91 -2.23 119.26 118.73 1hqy h ALA 135 Ca -0.04 0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1hqy h ALA 135 Cb 0.46 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1hqy h ALA 135 CO 0.06 -0.58 0.09 -0.07 0.00 0.00 0.00 179.25 178.76 1hqy h LEU 136 N -0.15 0.14 0.00 0.00 4.07 -1.08 -2.10 115.31 116.20 1hqy h LEU 136 Ca 0.13 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.09 1hqy h LEU 136 Cb 0.34 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.06 1hqy h LEU 136 CO -0.32 0.11 0.00 -0.11 -1.08 0.00 0.00 178.44 177.04 1hqy n LEU 137 N -5.00 0.00 -0.05 1.67 0.00 -0.40 -1.99 117.00 111.22 1hqy n LEU 137 Ca -0.04 0.49 0.03 0.00 0.00 0.00 0.00 56.01 56.50 1hqy n LEU 137 Cb 0.04 -0.49 0.05 0.00 0.00 0.00 0.00 43.42 43.02 1hqy n LEU 137 CO 0.33 -0.39 0.49 -0.62 0.00 0.00 0.00 177.39 177.20 1hqy n GLU 138 N -1.49 1.97 -0.05 1.96 1.02 -0.83 -4.69 120.64 118.52 1hqy n GLU 138 Ca 0.02 -1.76 0.00 0.00 -0.02 0.00 0.00 57.16 55.40 1hqy n GLU 138 Cb 0.07 -1.10 0.00 0.00 -0.02 0.00 0.00 31.44 30.39 1hqy n GLU 138 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1hqy n ASN 139 N -0.75 0.00 -3.71 1.62 3.02 -0.97 -5.04 115.26 109.42 1hqy n ASN 139 Ca 0.06 -1.04 -0.11 0.00 -0.03 0.00 0.00 54.58 53.45 1hqy n ASN 139 Cb 0.43 -0.01 -0.06 0.00 -0.61 0.00 0.00 39.78 39.53 1hqy n ASN 139 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1hqy s THR 140 N 0.00 0.09 -2.06 3.41 -4.23 -0.84 -5.02 115.64 106.98 1hqy s THR 140 Ca 0.00 -0.70 0.16 0.00 -1.18 0.00 0.00 61.69 59.97 1hqy s THR 140 Cb 0.00 -1.10 0.44 0.00 1.34 0.00 0.00 72.50 73.18 1hqy s THR 140 CO 0.00 -0.39 1.39 -0.62 -0.54 0.00 0.00 174.62 174.46 1hqy n GLU 141 N 0.14 2.13 -0.81 3.99 -0.58 -1.26 -4.73 120.64 119.51 1hqy n GLU 141 Ca -0.17 -1.74 -0.33 0.00 -0.42 0.00 0.00 57.16 54.49 1hqy n GLU 141 Cb 0.62 -1.39 0.11 0.00 -0.57 0.00 0.00 31.44 30.21 1hqy n GLU 141 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1hqy n LEU 142 N 0.92 -1.52 -4.99 -4.62 4.77 -1.26 -5.00 117.00 105.30 1hqy n LEU 142 Ca 0.17 0.23 -0.19 0.00 -0.03 0.00 0.00 56.01 56.18 1hqy n LEU 142 Cb 0.42 -1.08 0.02 0.00 -2.33 0.00 0.00 43.42 40.45 1hqy n LEU 142 CO 0.12 -3.90 0.27 -0.94 -1.33 0.00 0.00 177.39 171.60 1hqy s SER 143 N -1.80 5.47 0.05 -1.43 1.04 -1.26 -4.88 113.70 110.87 1hqy s SER 143 Ca 0.53 -0.17 -0.12 0.00 0.48 0.00 0.00 55.95 56.67 1hqy s SER 143 Cb -0.18 -0.82 -0.04 0.00 0.10 0.00 0.00 66.02 65.07 1hqy s SER 143 CO 0.70 -0.95 1.20 0.00 0.98 0.00 0.00 173.24 175.16 1hqy h ALA 144 N 0.33 -0.53 -0.76 5.32 0.00 -1.85 0.18 119.26 121.96 1hqy h ALA 144 Ca -0.41 -0.01 0.15 0.00 0.00 0.00 0.00 54.91 54.64 1hqy h ALA 144 Cb 1.29 0.81 -0.10 0.00 0.00 0.00 0.00 17.79 19.78 1hqy h ALA 144 CO 0.49 -0.61 0.27 -0.09 0.00 0.00 0.00 179.25 179.31 1hqy h ARG 145 N -0.17 0.38 -0.71 0.00 2.43 -1.91 0.13 114.38 114.53 1hqy h ARG 145 Ca 0.02 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.18 1hqy h ARG 145 Cb 0.23 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.66 1hqy h ARG 145 CO -0.19 0.25 0.46 0.93 -1.51 0.00 0.00 179.97 179.91 1hqy h GLU 146 N 0.39 0.91 0.32 0.20 5.08 -1.71 -0.73 114.58 119.03 1hqy h GLU 146 Ca 0.42 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.71 1hqy h GLU 146 Cb 0.68 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1hqy h GLU 146 CO -0.44 0.60 -0.15 0.82 -1.00 0.00 0.00 179.01 178.84 1hqy h ILE 147 N 0.93 0.66 -0.40 3.13 2.04 0.80 -1.36 117.51 123.31 1hqy h ILE 147 Ca 0.27 -0.62 0.08 0.00 1.00 0.00 0.00 64.86 65.60 1hqy h ILE 147 Cb -0.07 0.95 -0.09 0.00 -0.74 0.00 0.00 36.82 36.88 1hqy h ILE 147 CO -0.07 0.11 -0.22 0.00 0.00 0.00 0.00 178.15 177.97 1hqy h ALA 148 N -0.29 0.04 0.69 1.87 0.00 -0.74 0.87 119.26 121.71 1hqy h ALA 148 Ca -0.04 0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1hqy h ALA 148 Cb 0.51 0.53 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1hqy h ALA 148 CO 0.07 -0.59 -0.35 0.93 0.00 0.00 0.00 179.25 179.31 1hqy h GLU 149 N -0.15 -0.92 -0.91 0.00 4.39 -1.16 0.18 114.58 116.00 1hqy h GLU 149 Ca 0.19 0.06 0.07 0.00 0.34 0.00 0.00 59.36 60.03 1hqy h GLU 149 Cb 0.46 0.21 -0.07 0.00 -0.10 0.00 0.00 28.75 29.25 1hqy h GLU 149 CO -0.49 -0.62 0.57 0.87 -1.16 0.00 0.00 179.01 178.18 1hqy h LYS 150 N -0.96 0.99 0.02 2.33 1.57 -0.82 -0.95 116.57 118.76 1hqy h LYS 150 Ca -0.09 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1hqy h LYS 150 Cb 0.74 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1hqy h LYS 150 CO 0.14 0.66 -0.01 0.00 -0.57 0.00 0.00 179.45 179.67 1hqy h ALA 151 N 1.43 -0.03 -0.86 3.86 0.00 0.93 -2.16 119.26 122.43 1hqy h ALA 151 Ca 0.40 -0.08 0.12 0.00 0.00 0.00 0.00 54.91 55.36 1hqy h ALA 151 Cb 0.21 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.92 1hqy h ALA 151 CO -0.19 -0.44 0.48 1.25 0.00 0.00 0.00 179.25 180.36 1hqy h LEU 152 N -0.17 0.65 -0.81 0.00 6.46 -0.01 -0.42 115.31 121.00 1hqy h LEU 152 Ca -0.00 0.07 -0.09 0.00 -0.12 0.00 0.00 57.88 57.74 1hqy h LEU 152 Cb 0.16 -0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 40.03 1hqy h LEU 152 CO 0.00 0.32 -0.05 0.44 -0.62 0.00 0.00 178.44 178.54 1hqy h ASP 153 N 0.74 0.83 -0.33 1.25 3.45 -1.02 0.38 116.42 121.73 1hqy h ASP 153 Ca 0.44 -0.23 -0.01 0.00 0.43 0.00 0.00 57.03 57.66 1hqy h ASP 153 Cb 0.52 -0.22 -0.02 0.00 -0.56 0.00 0.00 39.33 39.06 1hqy h ASP 153 CO -0.30 0.92 0.15 0.40 -1.57 0.00 0.00 179.24 178.84 1hqy h ILE 154 N 0.78 1.16 -0.11 0.35 1.08 -0.61 -1.10 117.51 119.07 1hqy h ILE 154 Ca 0.14 -0.48 0.04 0.00 -0.39 0.00 0.00 64.86 64.17 1hqy h ILE 154 Cb 0.53 0.87 -0.04 0.00 -3.07 0.00 0.00 36.82 35.11 1hqy h ILE 154 CO 0.03 0.17 -0.15 0.00 -0.69 0.00 0.00 178.15 177.51 1hqy h ALA 155 N 1.01 -0.09 -0.09 1.87 0.00 -0.74 0.01 119.26 121.23 1hqy h ALA 155 Ca 0.11 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.09 1hqy h ALA 155 Cb 0.13 0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1hqy h ALA 155 CO -0.01 -0.61 0.15 0.78 0.00 0.00 0.00 179.25 179.56 1hqy h GLY 156 N -0.20 0.00 1.52 0.00 0.00 -0.44 0.42 103.07 104.37 1hqy h GLY 156 Ca 0.09 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.14 1hqy h GLY 156 CO -0.23 0.00 -1.33 -0.55 0.00 0.00 0.00 176.54 174.43 1hqy h ASP 157 N 0.00 0.39 0.00 0.19 3.45 0.26 -3.38 116.42 117.33 1hqy h ASP 157 Ca 0.04 -0.46 -0.06 0.00 0.43 0.00 0.00 57.03 56.98 1hqy h ASP 157 Cb 0.34 -0.13 -0.01 0.00 -0.56 0.00 0.00 39.33 38.98 1hqy h ASP 157 CO -0.00 1.36 -0.42 0.40 -1.57 0.00 0.00 179.24 179.02 1hqy h ILE 158 N 0.07 0.99 -3.01 0.35 1.08 -0.38 -3.46 117.51 113.15 1hqy h ILE 158 Ca -0.16 -1.88 -0.57 0.00 -0.39 0.00 0.00 64.86 61.86 1hqy h ILE 158 Cb 1.98 2.01 -0.04 0.00 -3.07 0.00 0.00 36.82 37.70 1hqy h ILE 158 CO 0.19 0.34 0.97 0.00 -0.69 0.00 0.00 178.15 178.95 1hqy h ILE 160 N 5.82 0.00 -0.44 0.00 1.08 -1.87 -2.17 117.51 119.94 1hqy h ILE 160 Ca -0.28 -0.10 0.00 0.00 -0.39 0.00 0.00 64.86 64.09 1hqy h ILE 160 Cb 1.11 0.82 0.00 0.00 -3.07 0.00 0.00 36.82 35.68 1hqy h ILE 160 CO 1.01 0.00 0.00 -1.22 -0.69 0.00 0.00 178.15 177.25 1hqy n TYR 161 N -2.55 0.67 -4.84 1.37 4.01 -1.26 -4.94 117.16 109.61 1hqy n TYR 161 Ca -0.01 -0.54 -0.26 0.00 -0.16 0.00 0.00 57.90 56.93 1hqy n TYR 161 Cb 0.11 -0.06 -0.16 0.00 -0.31 0.00 0.00 39.34 38.92 1hqy n TYR 161 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1hqy s THR 162 N -1.20 1.44 0.00 -0.72 2.01 -0.82 0.11 115.64 116.46 1hqy s THR 162 Ca 0.32 -0.72 0.00 0.00 0.31 0.00 0.00 61.69 61.59 1hqy s THR 162 Cb 0.18 -1.24 0.00 0.00 0.01 0.00 0.00 72.50 71.45 1hqy s THR 162 CO 0.19 0.42 0.00 -0.46 -0.69 0.00 0.00 174.62 174.08 1hqy n ASN 163 N 3.14 0.90 -1.26 3.53 0.23 -1.26 -4.60 115.26 115.93 1hqy n ASN 163 Ca -0.18 -0.79 0.08 0.00 -0.53 0.00 0.00 54.58 53.16 1hqy n ASN 163 Cb 0.53 0.00 0.30 0.00 -2.08 0.00 0.00 39.78 38.53 1hqy n ASN 163 CO 0.00 0.00 0.00 1.41 -0.93 0.00 0.00 177.26 177.74 1hqy n HIS 164 N -0.43 1.25 -2.91 -2.53 8.25 -1.26 -4.62 115.22 112.96 1hqy n HIS 164 Ca 0.00 -0.70 -0.40 0.00 -0.26 0.00 0.00 57.72 56.36 1hqy n HIS 164 Cb 0.00 -0.28 -0.04 0.00 1.12 0.00 0.00 29.99 30.79 1hqy n HIS 164 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1hqy s PHE 165 N -2.18 3.69 0.20 4.41 5.36 -1.26 -4.99 117.98 123.21 1hqy s PHE 165 Ca 0.44 1.51 0.09 0.00 -0.96 0.00 0.00 56.93 58.01 1hqy s PHE 165 Cb 0.31 -2.91 -0.04 0.00 -0.34 0.00 0.00 43.02 40.04 1hqy s PHE 165 CO 0.17 0.16 -0.18 -1.01 -1.46 0.00 0.00 175.22 172.90 1hqy s HIS 166 N 0.38 1.90 -0.10 10.12 3.76 -1.26 -2.47 115.29 127.62 1hqy s HIS 166 Ca 0.42 -0.47 -0.04 0.00 -0.15 0.00 0.00 55.06 54.82 1hqy s HIS 166 Cb -0.20 -0.90 0.05 0.00 1.11 0.00 0.00 32.58 32.64 1hqy s HIS 166 CO 0.24 0.42 0.17 0.99 -0.85 0.00 0.00 174.74 175.71 1hqy s THR 167 N -2.42 -0.27 -0.17 1.30 2.01 -1.13 -5.00 115.64 109.96 1hqy s THR 167 Ca 0.21 0.29 0.00 0.00 0.31 0.00 0.00 61.69 62.50 1hqy s THR 167 Cb -0.04 -0.35 0.04 0.00 0.01 0.00 0.00 72.50 72.15 1hqy s THR 167 CO 0.08 0.10 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.39 1hqy s ILE 168 N 2.30 1.40 -0.14 1.82 1.09 -1.26 -2.42 121.20 123.99 1hqy s ILE 168 Ca 0.03 -0.74 -0.06 0.00 -1.10 0.00 0.00 60.65 58.78 1hqy s ILE 168 Cb -0.12 -1.47 -0.04 0.00 -1.06 0.00 0.00 42.46 39.77 1hqy s ILE 168 CO -0.07 0.24 0.07 -1.61 -0.10 0.00 0.00 174.94 173.47 1hqy s GLU 169 N 1.52 3.54 0.36 2.79 0.41 -1.01 -4.98 118.70 121.33 1hqy s GLU 169 Ca 0.01 -0.29 0.09 0.00 -0.41 0.00 0.00 54.97 54.37 1hqy s GLU 169 Cb -0.15 -3.09 -0.06 0.00 -1.78 0.00 0.00 34.13 29.05 1hqy s GLU 169 CO -0.09 0.55 0.04 -2.00 -0.49 0.00 0.00 175.26 173.27 1hqy s GLU 170 N -0.41 2.08 -0.15 1.61 2.12 -1.26 -2.47 118.70 120.22 1hqy s GLU 170 Ca 0.10 -1.81 -0.04 0.00 0.36 0.00 0.00 54.97 53.58 1hqy s GLU 170 Cb -0.12 -1.90 0.08 0.00 0.26 0.00 0.00 34.13 32.44 1hqy s GLU 170 CO 0.02 0.07 0.26 -1.17 -0.54 0.00 0.00 175.26 173.90 1hqy s LEU 171 N -3.74 -0.27 -0.26 2.70 2.96 -0.40 -5.00 118.68 114.67 1hqy s LEU 171 Ca 0.36 0.36 -0.08 0.00 -0.22 0.00 0.00 54.13 54.55 1hqy s LEU 171 Cb 0.02 0.64 -0.03 0.00 0.50 0.00 0.00 46.19 47.32 1hqy s LEU 171 CO 0.20 -0.27 0.09 -0.44 -1.32 0.00 0.00 176.35 174.61 1hqy s SER 172 N 2.40 5.25 0.00 3.68 0.01 -1.26 -1.67 113.70 122.12 1hqy s SER 172 Ca 0.04 -0.26 0.00 0.00 1.31 0.00 0.00 55.95 57.04 1hqy s SER 172 Cb -0.13 -1.95 0.00 0.00 0.21 0.00 0.00 66.02 64.15 1hqy s SER 172 CO -0.10 -0.06 0.00 0.00 0.41 0.00 0.00 173.24 173.49 1hqy n TYR 173 N 4.94 0.00 0.00 2.43 0.18 0.11 -5.01 117.16 119.81 1hqy n TYR 173 Ca -0.16 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.62 1hqy n TYR 173 Cb 0.51 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.47 1hqy n TYR 173 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41