#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hqk s GLN 2 N 0.00 4.42 -0.16 2.12 -0.21 -1.26 -5.06 119.66 119.52 1hqk s GLN 2 Ca 0.00 0.82 0.01 0.00 0.02 0.00 0.00 55.36 56.21 1hqk s GLN 2 Cb 0.00 -3.44 0.02 0.00 1.00 0.00 0.00 33.01 30.59 1hqk s GLN 2 CO 0.00 0.10 -0.17 0.42 -2.12 0.00 0.00 175.29 173.52 1hqk s ILE 3 N 0.71 1.77 -0.08 1.08 1.01 -1.26 -5.12 121.20 119.31 1hqk s ILE 3 Ca 0.36 -0.76 0.01 0.00 0.00 0.00 0.00 60.65 60.26 1hqk s ILE 3 Cb -0.17 -1.63 -0.02 0.00 0.01 0.00 0.00 42.46 40.64 1hqk s ILE 3 CO 0.17 0.49 -0.11 -0.31 0.00 0.00 0.00 174.94 175.18 1hqk s TYR 4 N 1.40 2.82 0.14 3.97 1.51 -1.26 -5.12 117.35 120.80 1hqk s TYR 4 Ca 0.05 -0.23 -0.18 0.00 -1.01 0.00 0.00 57.07 55.70 1hqk s TYR 4 Cb -0.13 -1.73 0.05 0.00 -0.11 0.00 0.00 41.96 40.04 1hqk s TYR 4 CO -0.11 0.12 0.47 -1.83 -1.11 0.00 0.00 175.55 173.09 1hqk s GLU 5 N -0.42 1.15 -0.11 -0.62 -1.05 -1.26 -5.12 118.70 111.27 1hqk s GLU 5 Ca 0.05 -0.64 -0.02 0.00 -0.15 0.00 0.00 54.97 54.22 1hqk s GLU 5 Cb -0.12 0.51 -0.03 0.00 -0.44 0.00 0.00 34.13 34.05 1hqk s GLU 5 CO 0.02 -0.47 -0.03 0.20 0.95 0.00 0.00 175.26 175.93 1hqk s GLY 6 N -2.79 1.75 1.04 -3.83 0.00 -1.26 -4.41 107.32 97.82 1hqk s GLY 6 Ca 0.02 -0.84 -0.18 0.00 0.00 0.00 0.00 44.72 43.73 1hqk s GLY 6 CO -0.12 -0.42 1.30 -1.59 0.00 0.00 0.00 173.10 172.27 1hqk s LYS 7 N -0.41 0.01 -0.00 2.90 -2.85 -1.26 -4.87 119.74 113.26 1hqk s LYS 7 Ca 0.07 -0.44 0.06 0.00 -1.00 0.00 0.00 55.97 54.66 1hqk s LYS 7 Cb -0.12 -1.78 0.17 0.00 -2.06 0.00 0.00 37.83 34.04 1hqk s LYS 7 CO 0.02 -2.83 1.14 1.28 0.10 0.00 0.00 175.35 175.06 1hqk n LEU 8 N -4.05 2.52 -4.76 2.77 4.77 -1.26 -4.17 117.00 112.81 1hqk n LEU 8 Ca 0.16 -2.02 -0.39 0.00 -0.03 0.00 0.00 56.01 53.73 1hqk n LEU 8 Cb 0.59 -0.13 -0.05 0.00 -2.33 0.00 0.00 43.42 41.50 1hqk n LEU 8 CO 0.43 0.63 0.41 0.42 -1.33 0.00 0.00 177.39 177.96 1hqk s THR 9 N -1.03 4.70 -0.54 -5.08 -4.23 -1.26 -4.87 115.64 103.33 1hqk s THR 9 Ca 0.13 1.52 0.14 0.00 -1.18 0.00 0.00 61.69 62.30 1hqk s THR 9 Cb 0.07 -4.06 0.45 0.00 1.34 0.00 0.00 72.50 70.30 1hqk s THR 9 CO 0.09 0.42 1.37 0.00 -0.54 0.00 0.00 174.62 175.96 1hqk n ALA 10 N 2.46 2.67 -1.65 3.99 0.00 0.35 -4.97 120.51 123.36 1hqk n ALA 10 Ca -0.05 -1.78 -0.48 0.00 0.00 0.00 0.00 53.44 51.14 1hqk n ALA 10 Cb 0.50 -0.62 -0.05 0.00 0.00 0.00 0.00 19.45 19.29 1hqk n ALA 10 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1hqk n GLU 11 N 0.02 1.91 -0.65 0.00 2.13 -1.25 -1.46 120.64 121.34 1hqk n GLU 11 Ca 0.18 0.69 0.00 0.00 0.66 0.00 0.00 57.16 58.69 1hqk n GLU 11 Cb 0.70 -2.44 0.00 0.00 0.27 0.00 0.00 31.44 29.98 1hqk n GLU 11 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1hqk n GLY 12 N 3.32 1.58 3.84 8.31 0.00 -1.26 -4.99 105.19 115.98 1hqk n GLY 12 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 1hqk n GLY 12 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1hqk s LEU 13 N 0.00 4.13 -0.14 0.99 1.43 -0.53 -5.05 118.68 119.50 1hqk s LEU 13 Ca 0.00 1.31 0.02 0.00 -1.03 0.00 0.00 54.13 54.43 1hqk s LEU 13 Cb 0.00 -3.95 0.01 0.00 0.03 0.00 0.00 46.19 42.28 1hqk s LEU 13 CO 0.00 -0.15 -0.19 -0.13 0.23 0.00 0.00 176.35 176.11 1hqk s ARG 14 N -2.73 2.76 0.05 1.70 0.52 -1.26 -4.59 118.95 115.40 1hqk s ARG 14 Ca 0.51 -0.76 0.09 0.00 -0.52 0.00 0.00 55.73 55.06 1hqk s ARG 14 Cb -0.12 -2.30 -0.03 0.00 0.52 0.00 0.00 34.95 33.03 1hqk s ARG 14 CO 0.18 -0.07 -0.25 -0.06 0.02 0.00 0.00 175.30 175.12 1hqk s PHE 15 N 0.98 2.23 -0.12 -0.53 0.40 -0.53 -0.27 117.98 120.13 1hqk s PHE 15 Ca -0.04 -0.40 -0.05 0.00 -0.60 0.00 0.00 56.93 55.84 1hqk s PHE 15 Cb -0.15 -1.32 -0.04 0.00 0.51 0.00 0.00 43.02 42.03 1hqk s PHE 15 CO -0.04 0.14 0.05 0.20 0.70 0.00 0.00 175.22 176.27 1hqk s GLY 16 N -1.33 1.93 -0.12 4.36 0.00 -0.49 -0.58 107.32 111.10 1hqk s GLY 16 Ca 0.11 -0.75 0.03 0.00 0.00 0.00 0.00 44.72 44.11 1hqk s GLY 16 CO 0.02 -0.33 -0.21 -0.42 0.00 0.00 0.00 173.10 172.17 1hqk s ILE 17 N -0.51 1.94 -0.23 0.90 1.01 0.77 -0.38 121.20 124.70 1hqk s ILE 17 Ca 0.10 -0.92 -0.04 0.00 0.00 0.00 0.00 60.65 59.79 1hqk s ILE 17 Cb -0.12 -1.71 -0.00 0.00 0.01 0.00 0.00 42.46 40.64 1hqk s ILE 17 CO 0.02 0.53 -0.03 -0.69 0.00 0.00 0.00 174.94 174.77 1hqk s VAL 18 N 0.70 3.41 -0.11 2.92 1.01 -0.60 -0.63 120.40 127.09 1hqk s VAL 18 Ca -0.11 -0.54 0.02 0.00 0.00 0.00 0.00 61.98 61.35 1hqk s VAL 18 Cb -0.16 -2.58 0.02 0.00 0.00 0.00 0.00 36.38 33.65 1hqk s VAL 18 CO 0.01 0.38 -0.15 0.00 0.00 0.00 0.00 175.10 175.34 1hqk s ALA 19 N 1.47 1.70 0.70 5.51 0.00 -0.01 -0.65 121.76 130.48 1hqk s ALA 19 Ca 0.05 -0.74 -0.11 0.00 0.00 0.00 0.00 51.96 51.16 1hqk s ALA 19 Cb -0.15 -0.85 0.02 0.00 0.00 0.00 0.00 23.12 22.14 1hqk s ALA 19 CO -0.03 -0.10 1.08 -1.54 0.00 0.00 0.00 175.76 175.17 1hqk s SER 20 N 1.03 5.42 -0.02 0.00 1.04 -0.74 -1.99 113.70 118.43 1hqk s SER 20 Ca -0.06 1.06 0.20 0.00 0.48 0.00 0.00 55.95 57.64 1hqk s SER 20 Cb -0.15 -1.87 -0.23 0.00 0.10 0.00 0.00 66.02 63.88 1hqk s SER 20 CO -0.02 -1.33 0.54 0.54 0.98 0.00 0.00 173.24 173.94 1hqk n ARG 21 N -2.97 0.65 -2.04 4.02 1.74 0.18 -4.81 116.66 113.43 1hqk n ARG 21 Ca 0.07 -0.02 -0.40 0.00 -0.77 0.00 0.00 57.85 56.73 1hqk n ARG 21 Cb 0.57 -1.63 -0.00 0.00 -1.02 0.00 0.00 32.46 30.38 1hqk n ARG 21 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 1hqk s PHE 22 N -3.13 2.80 -1.42 -1.55 5.36 -0.69 -1.42 117.98 117.93 1hqk s PHE 22 Ca -0.06 1.40 -0.10 0.00 -0.96 0.00 0.00 56.93 57.20 1hqk s PHE 22 Cb 0.10 -3.69 0.03 0.00 -0.34 0.00 0.00 43.02 39.12 1hqk s PHE 22 CO 0.85 -2.15 1.12 0.09 -1.46 0.00 0.00 175.22 173.67 1hqk n ASN 23 N 0.15 -5.93 0.27 6.13 3.02 -1.26 -4.54 115.26 113.09 1hqk n ASN 23 Ca 0.04 -0.61 0.12 0.00 -0.03 0.00 0.00 54.58 54.10 1hqk n ASN 23 Cb 0.43 -4.69 0.75 0.00 -0.61 0.00 0.00 39.78 35.66 1hqk n ASN 23 CO 0.00 0.00 0.00 1.12 -2.62 0.00 0.00 177.26 175.76 1hqk h HIS 24 N -2.50 0.00 0.00 3.10 2.07 -1.55 0.53 115.15 116.79 1hqk h HIS 24 Ca -0.57 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 56.92 1hqk h HIS 24 Cb 1.37 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.35 1hqk h HIS 24 CO 0.52 0.08 -0.14 0.00 -3.07 0.00 0.00 177.93 175.32 1hqk h ALA 25 N 1.92 1.40 0.03 6.11 0.00 -1.90 0.16 119.26 126.98 1hqk h ALA 25 Ca -0.00 -0.13 -0.36 0.00 0.00 0.00 0.00 54.91 54.42 1hqk h ALA 25 Cb 0.19 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 1hqk h ALA 25 CO 0.01 0.18 -2.04 1.28 0.00 0.00 0.00 179.25 178.68 1hqk n LEU 26 N -3.83 2.34 -0.29 0.00 4.77 0.02 -4.22 117.00 115.79 1hqk n LEU 26 Ca -0.02 0.22 0.05 0.00 -0.03 0.00 0.00 56.01 56.24 1hqk n LEU 26 Cb 0.24 -0.96 0.20 0.00 -2.33 0.00 0.00 43.42 40.57 1hqk n LEU 26 CO 0.32 0.65 1.10 0.58 -1.33 0.00 0.00 177.39 178.71 1hqk h VAL 27 N -0.49 0.79 -0.13 4.08 2.07 -0.96 -1.24 116.25 120.36 1hqk h VAL 27 Ca -0.51 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 66.78 1hqk h VAL 27 Cb 1.71 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 1hqk h VAL 27 CO -0.16 0.12 0.04 0.44 0.02 0.00 0.00 177.57 178.04 1hqk h ASP 28 N 0.66 0.16 -0.08 0.57 3.32 -0.89 -0.05 116.42 120.11 1hqk h ASP 28 Ca 0.43 -0.01 -0.15 0.00 0.02 0.00 0.00 57.03 57.32 1hqk h ASP 28 Cb 0.54 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 1hqk h ASP 28 CO -0.32 0.16 -0.48 0.03 -1.72 0.00 0.00 179.24 176.91 1hqk h ARG 29 N 0.18 0.64 -0.62 3.56 2.47 -1.41 -2.29 114.38 116.92 1hqk h ARG 29 Ca 0.05 -0.37 -0.02 0.00 -1.26 0.00 0.00 59.98 58.39 1hqk h ARG 29 Cb 0.06 0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 28.38 1hqk h ARG 29 CO -0.00 0.98 0.33 -0.07 0.56 0.00 0.00 179.97 181.76 1hqk h LEU 30 N 0.51 0.78 -0.34 3.04 3.38 -0.80 -1.26 115.31 120.62 1hqk h LEU 30 Ca 0.03 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1hqk h LEU 30 Cb 1.02 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.56 1hqk h LEU 30 CO 0.10 0.67 0.21 0.58 0.09 0.00 0.00 178.44 180.08 1hqk h VAL 31 N 0.84 1.11 -0.55 1.22 2.07 -1.07 0.01 116.25 119.89 1hqk h VAL 31 Ca 0.22 -0.26 0.09 0.00 0.82 0.00 0.00 66.70 67.56 1hqk h VAL 31 Cb 0.07 0.68 -0.07 0.00 -1.52 0.00 0.00 31.29 30.44 1hqk h VAL 31 CO -0.03 0.11 0.16 -0.33 0.02 0.00 0.00 177.57 177.50 1hqk h GLU 32 N 0.44 0.31 -0.68 1.57 5.08 -1.29 -1.06 114.58 118.94 1hqk h GLU 32 Ca 0.12 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.38 1hqk h GLU 32 Cb 0.00 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 1hqk h GLU 32 CO -0.02 0.20 0.11 0.78 -1.00 0.00 0.00 179.01 179.08 1hqk h GLY 33 N 0.32 1.21 1.01 -3.84 0.00 -0.79 -1.51 103.07 99.47 1hqk h GLY 33 Ca 0.28 -0.81 -0.05 0.00 0.00 0.00 0.00 47.33 46.74 1hqk h GLY 33 CO -0.31 0.75 0.15 0.00 0.00 0.00 0.00 176.54 177.12 1hqk h ALA 34 N 1.05 0.76 -0.36 3.60 0.00 -0.38 -1.38 119.26 122.56 1hqk h ALA 34 Ca 0.21 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1hqk h ALA 34 Cb 0.44 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1hqk h ALA 34 CO 0.01 0.46 -0.07 0.82 0.00 0.00 0.00 179.25 180.48 1hqk h ILE 35 N 0.83 1.27 -0.44 0.00 2.04 -1.11 -1.70 117.51 118.40 1hqk h ILE 35 Ca 0.18 -1.12 0.02 0.00 1.00 0.00 0.00 64.86 64.95 1hqk h ILE 35 Cb 0.34 1.26 -0.03 0.00 -0.74 0.00 0.00 36.82 37.64 1hqk h ILE 35 CO 0.00 0.37 0.25 -0.78 0.00 0.00 0.00 178.15 177.99 1hqk h ASP 36 N 0.49 0.40 -0.21 1.72 3.58 -1.22 0.23 116.42 121.40 1hqk h ASP 36 Ca 0.09 0.01 0.01 0.00 0.42 0.00 0.00 57.03 57.56 1hqk h ASP 36 Cb 0.56 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.53 1hqk h ASP 36 CO 0.03 0.28 0.11 0.00 -2.88 0.00 0.00 179.24 176.78 1hqk h ILE 38 N 0.23 0.38 -0.65 0.00 2.04 -0.93 -2.27 117.51 116.32 1hqk h ILE 38 Ca 0.08 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.90 1hqk h ILE 38 Cb 0.01 0.38 -0.03 0.00 -0.74 0.00 0.00 36.82 36.44 1hqk h ILE 38 CO -0.05 0.00 0.23 0.58 0.00 0.00 0.00 178.15 178.91 1hqk h VAL 39 N -0.67 1.24 -0.00 1.67 2.07 -0.81 -0.99 116.25 118.77 1hqk h VAL 39 Ca -0.03 -0.80 0.00 0.00 0.82 0.00 0.00 66.70 66.70 1hqk h VAL 39 Cb 0.58 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1hqk h VAL 39 CO -0.02 0.31 -0.07 0.54 0.02 0.00 0.00 177.57 178.35 1hqk n ARG 40 N -4.39 0.58 -0.06 1.57 1.74 0.06 -1.65 116.66 114.51 1hqk n ARG 40 Ca 0.04 -0.13 0.12 0.00 -0.77 0.00 0.00 57.85 57.11 1hqk n ARG 40 Cb 0.19 -1.50 0.40 0.00 -1.02 0.00 0.00 32.46 30.53 1hqk n ARG 40 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1hqk n HIS 41 N -1.10 0.16 0.00 -1.55 8.25 -0.86 -4.93 115.22 115.20 1hqk n HIS 41 Ca 0.14 -0.08 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 1hqk n HIS 41 Cb 0.26 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.37 1hqk n HIS 41 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1hqk n GLY 42 N 1.17 0.77 3.78 -1.41 0.00 -0.66 -0.50 105.19 108.35 1hqk n GLY 42 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 1hqk n GLY 42 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1hqk s GLY 43 N -1.20 2.64 0.06 -0.02 0.00 -0.41 -3.80 107.32 104.60 1hqk s GLY 43 Ca 0.00 0.79 -0.11 0.00 0.00 0.00 0.00 44.72 45.40 1hqk s GLY 43 CO 0.00 1.16 0.41 0.50 0.00 0.00 0.00 173.10 175.17 1hqk s ARG 44 N -3.13 3.81 0.43 2.90 0.52 -1.26 -4.12 118.95 118.09 1hqk s ARG 44 Ca 0.69 0.25 0.10 0.00 -0.52 0.00 0.00 55.73 56.25 1hqk s ARG 44 Cb -0.23 -3.04 0.93 0.00 0.52 0.00 0.00 34.95 33.12 1hqk s ARG 44 CO 0.27 0.59 2.04 1.05 0.02 0.00 0.00 175.30 179.26 1hqk h GLU 45 N 3.94 0.34 0.00 3.54 -0.00 -1.95 -1.36 114.58 119.08 1hqk h GLU 45 Ca -0.50 -0.04 0.00 0.00 -0.00 0.00 0.00 59.36 58.83 1hqk h GLU 45 Cb 1.20 -0.07 0.00 0.00 -0.00 0.00 0.00 28.75 29.88 1hqk h GLU 45 CO 0.65 0.29 0.00 0.93 -0.00 0.00 0.00 179.01 180.88 1hqk h GLU 46 N 0.34 0.00 -0.59 1.06 3.07 -2.00 -1.90 114.58 114.56 1hqk h GLU 46 Ca 0.09 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.95 1hqk h GLU 46 Cb 0.08 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.99 1hqk h GLU 46 CO -0.01 0.00 0.00 -0.25 -1.40 0.00 0.00 179.01 177.35 1hqk n ASP 47 N -2.85 3.35 -4.70 1.42 8.00 -0.51 -4.82 116.55 116.44 1hqk n ASP 47 Ca -0.00 -2.19 -0.35 0.00 0.71 0.00 0.00 54.79 52.96 1hqk n ASP 47 Cb 0.20 -0.44 -0.09 0.00 -0.02 0.00 0.00 41.12 40.77 1hqk n ASP 47 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1hqk s ILE 48 N -1.55 5.12 -0.19 0.53 1.01 -0.72 -1.46 121.20 123.94 1hqk s ILE 48 Ca 0.38 0.08 -0.05 0.00 0.00 0.00 0.00 60.65 61.06 1hqk s ILE 48 Cb 0.22 -3.31 -0.03 0.00 0.01 0.00 0.00 42.46 39.35 1hqk s ILE 48 CO 0.21 0.47 0.01 -0.89 0.00 0.00 0.00 174.94 174.74 1hqk s THR 49 N 0.23 4.07 -0.21 2.92 2.01 0.25 -4.98 115.64 119.94 1hqk s THR 49 Ca 0.06 -0.28 -0.05 0.00 0.31 0.00 0.00 61.69 61.74 1hqk s THR 49 Cb -0.12 -2.84 -0.02 0.00 0.01 0.00 0.00 72.50 69.54 1hqk s THR 49 CO -0.01 0.44 -0.00 -0.22 -0.69 0.00 0.00 174.62 174.14 1hqk s LEU 50 N 0.86 3.20 -0.16 4.42 2.96 -1.26 -0.16 118.68 128.54 1hqk s LEU 50 Ca 0.01 -0.24 -0.01 0.00 -0.22 0.00 0.00 54.13 53.67 1hqk s LEU 50 Cb -0.14 -1.82 -0.01 0.00 0.50 0.00 0.00 46.19 44.72 1hqk s LEU 50 CO 0.02 0.03 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.28 1hqk s VAL 51 N 1.18 3.03 -0.04 1.68 1.01 0.19 -4.97 120.40 122.48 1hqk s VAL 51 Ca 0.03 -0.65 -0.06 0.00 0.00 0.00 0.00 61.98 61.30 1hqk s VAL 51 Cb -0.14 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 1hqk s VAL 51 CO 0.01 0.50 0.22 -0.13 0.00 0.00 0.00 175.10 175.70 1hqk s ARG 52 N 0.75 3.52 0.12 2.72 0.52 -1.26 -0.83 118.95 124.50 1hqk s ARG 52 Ca -0.05 -0.12 0.00 0.00 -0.52 0.00 0.00 55.73 55.04 1hqk s ARG 52 Cb -0.15 -3.12 -0.04 0.00 0.52 0.00 0.00 34.95 32.15 1hqk s ARG 52 CO 0.01 0.70 -0.00 0.14 0.02 0.00 0.00 175.30 176.17 1hqk s VAL 53 N -1.21 0.43 0.04 3.52 -7.23 -0.84 -4.93 120.40 110.17 1hqk s VAL 53 Ca 0.23 -1.92 -0.19 0.00 -1.81 0.00 0.00 61.98 58.30 1hqk s VAL 53 Cb -0.13 -1.89 -0.16 0.00 0.56 0.00 0.00 36.38 34.76 1hqk s VAL 53 CO 0.13 -0.66 1.27 1.55 -0.31 0.00 0.00 175.10 177.08 1hqk h PRO 54 N 2.89 0.45 -4.70 4.82 0.13 -1.93 0.53 132.00 134.19 1hqk h PRO 54 Ca -0.35 -0.32 -0.37 0.00 -0.87 0.00 0.00 66.00 64.09 1hqk h PRO 54 Cb 1.18 0.05 -0.13 0.00 0.13 0.00 0.00 31.00 32.23 1hqk h PRO 54 CO 0.63 0.93 -0.50 0.20 -0.23 0.00 0.00 178.00 179.04 1hqk s GLY 55 N -3.74 1.92 0.44 1.56 0.00 -1.26 -1.71 107.32 104.53 1hqk s GLY 55 Ca -0.13 -1.87 0.15 0.00 0.00 0.00 0.00 44.72 42.86 1hqk s GLY 55 CO 0.80 -1.38 1.96 1.76 0.00 0.00 0.00 173.10 176.23 1hqk h SER 56 N 2.30 0.00 -0.97 1.64 0.02 -1.92 -2.22 113.55 112.40 1hqk h SER 56 Ca -0.29 0.00 0.14 0.00 -0.84 0.00 0.00 61.79 60.80 1hqk h SER 56 Cb 1.24 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 63.70 1hqk h SER 56 CO 0.42 0.22 0.61 -0.25 -1.14 0.00 0.00 176.83 176.69 1hqk h TRP 57 N 0.00 1.02 -0.01 3.45 2.91 -1.96 -0.95 115.95 120.41 1hqk h TRP 57 Ca -0.00 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.05 1hqk h TRP 57 Cb 0.39 -0.32 0.00 0.00 -0.51 0.00 0.00 29.16 28.72 1hqk h TRP 57 CO 0.00 0.36 -0.13 0.39 -1.03 0.00 0.00 178.44 178.03 1hqk n GLU 58 N -4.62 0.98 -0.21 2.65 4.71 -0.84 -4.23 120.64 119.08 1hqk n GLU 58 Ca 0.19 -0.47 -0.07 0.00 -0.01 0.00 0.00 57.16 56.81 1hqk n GLU 58 Cb 0.44 -1.49 0.03 0.00 -1.01 0.00 0.00 31.44 29.41 1hqk n GLU 58 CO 0.00 0.00 0.00 0.82 0.09 0.00 0.00 177.13 178.04 1hqk h ILE 59 N 1.14 1.19 -0.03 -3.67 2.04 -1.15 -3.15 117.51 113.89 1hqk h ILE 59 Ca 0.00 -0.48 0.01 0.00 1.00 0.00 0.00 64.86 65.40 1hqk h ILE 59 Cb 0.42 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 1hqk h ILE 59 CO 0.00 0.21 -0.04 -0.65 0.00 0.00 0.00 178.15 177.66 1hqk h PRO 60 N 0.80 -0.06 -0.50 2.37 0.11 -1.76 0.26 132.00 133.21 1hqk h PRO 60 Ca 0.21 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.27 1hqk h PRO 60 Cb 0.04 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.14 1hqk h PRO 60 CO -0.03 -0.04 0.08 -0.24 -0.21 0.00 0.00 178.00 177.56 1hqk h VAL 61 N -0.07 1.23 -0.38 3.15 3.04 -1.84 0.14 116.25 121.52 1hqk h VAL 61 Ca 0.03 -0.86 -0.14 0.00 -1.01 0.00 0.00 66.70 64.72 1hqk h VAL 61 Cb 0.11 0.76 -0.01 0.00 -2.01 0.00 0.00 31.29 30.13 1hqk h VAL 61 CO -0.07 0.31 -0.32 0.00 -1.01 0.00 0.00 177.57 176.48 1hqk h ALA 62 N 1.34 0.71 -0.38 3.17 0.00 -1.46 -3.05 119.26 119.59 1hqk h ALA 62 Ca 0.16 -0.42 -0.07 0.00 0.00 0.00 0.00 54.91 54.58 1hqk h ALA 62 Cb 0.34 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1hqk h ALA 62 CO 0.01 0.66 -0.06 0.00 0.00 0.00 0.00 179.25 179.86 1hqk h ALA 63 N 0.92 1.19 -0.53 0.00 0.00 -0.08 -1.90 119.26 118.86 1hqk h ALA 63 Ca 0.07 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1hqk h ALA 63 Cb 0.88 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 1hqk h ALA 63 CO 0.08 0.52 0.27 0.78 0.00 0.00 0.00 179.25 180.90 1hqk h GLY 64 N 0.94 0.79 0.98 0.00 0.00 -0.71 0.12 103.07 105.19 1hqk h GLY 64 Ca 0.11 -0.36 -0.13 0.00 0.00 0.00 0.00 47.33 46.96 1hqk h GLY 64 CO 0.02 0.34 -0.34 0.83 0.00 0.00 0.00 176.54 177.40 1hqk h GLU 65 N 0.75 0.70 -0.48 4.80 4.39 -1.27 -3.01 114.58 120.45 1hqk h GLU 65 Ca 0.19 -0.40 -0.12 0.00 0.34 0.00 0.00 59.36 59.37 1hqk h GLU 65 Cb 0.06 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 1hqk h GLU 65 CO -0.03 1.01 -0.18 -0.07 -1.16 0.00 0.00 179.01 178.58 1hqk h LEU 66 N 0.43 0.98 -1.35 1.33 3.38 -1.12 -2.96 115.31 116.00 1hqk h LEU 66 Ca 0.03 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1hqk h LEU 66 Cb 0.92 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1hqk h LEU 66 CO 0.08 1.13 0.00 0.00 0.09 0.00 0.00 178.44 179.74 1hqk h ALA 67 N 0.94 1.00 0.00 1.53 0.00 -0.84 -2.42 119.26 119.47 1hqk h ALA 67 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1hqk h ALA 67 Cb 0.75 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1hqk h ALA 67 CO 0.06 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.31 1hqk h ARG 68 N 0.00 0.00 -6.60 0.00 3.08 -1.37 -3.45 114.38 106.04 1hqk h ARG 68 Ca 0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.52 1hqk h ARG 68 Cb 0.54 0.00 0.04 0.00 0.08 0.00 0.00 29.97 30.63 1hqk h ARG 68 CO 0.00 0.00 0.84 0.15 -1.07 0.00 0.00 179.97 179.89 1hqk s LYS 69 N -3.18 4.24 0.43 0.04 1.02 -0.91 -4.91 119.74 116.46 1hqk s LYS 69 Ca 0.09 2.30 0.19 0.00 0.02 0.00 0.00 55.97 58.56 1hqk s LYS 69 Cb 0.10 -3.17 0.98 0.00 -0.52 0.00 0.00 37.83 35.22 1hqk s LYS 69 CO 0.58 -0.57 1.91 1.49 -0.92 0.00 0.00 175.35 177.85 1hqk h GLU 70 N 6.77 0.00 -0.71 1.68 4.22 -1.89 -2.48 114.58 122.17 1hqk h GLU 70 Ca -0.43 0.00 -0.04 0.00 0.08 0.00 0.00 59.36 58.98 1hqk h GLU 70 Cb 1.21 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.43 1hqk h GLU 70 CO 0.90 0.26 0.05 -0.40 -2.18 0.00 0.00 179.01 177.65 1hqk n ASP 71 N -3.89 4.52 -4.34 1.04 5.75 -1.26 -4.81 116.55 113.55 1hqk n ASP 71 Ca -0.02 -2.76 -0.34 0.00 -0.01 0.00 0.00 54.79 51.66 1hqk n ASP 71 Cb 0.35 -0.65 -0.14 0.00 -1.03 0.00 0.00 41.12 39.64 1hqk n ASP 71 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1hqk s ILE 72 N -2.36 3.33 0.02 2.12 -1.09 -0.93 -4.78 121.20 117.51 1hqk s ILE 72 Ca 0.42 -0.52 0.05 0.00 -2.23 0.00 0.00 60.65 58.37 1hqk s ILE 72 Cb 0.32 -2.48 -0.24 0.00 -1.58 0.00 0.00 42.46 38.48 1hqk s ILE 72 CO 0.12 0.46 0.91 0.44 -1.23 0.00 0.00 174.94 175.64 1hqk h ASP 73 N 7.61 0.14 -5.00 3.58 3.32 -0.95 -3.47 116.42 121.65 1hqk h ASP 73 Ca -0.37 -0.20 -0.04 0.00 0.02 0.00 0.00 57.03 56.44 1hqk h ASP 73 Cb 1.18 -0.04 -0.16 0.00 0.22 0.00 0.00 39.33 40.52 1hqk h ASP 73 CO 0.60 1.17 0.20 0.00 -1.72 0.00 0.00 179.24 179.48 1hqk s ALA 74 N -2.64 -1.69 -0.05 3.45 0.00 -1.21 -4.50 121.76 115.12 1hqk s ALA 74 Ca -0.05 0.97 0.05 0.00 0.00 0.00 0.00 51.96 52.94 1hqk s ALA 74 Cb 0.08 0.37 -0.02 0.00 0.00 0.00 0.00 23.12 23.55 1hqk s ALA 74 CO 0.83 -0.54 -0.21 0.08 0.00 0.00 0.00 175.76 175.92 1hqk s VAL 75 N -2.25 2.42 -0.23 0.00 1.01 -0.66 -1.39 120.40 119.29 1hqk s VAL 75 Ca -0.06 -0.95 -0.04 0.00 0.00 0.00 0.00 61.98 60.93 1hqk s VAL 75 Cb -0.00 -1.90 0.00 0.00 0.00 0.00 0.00 36.38 34.48 1hqk s VAL 75 CO 0.00 0.58 -0.04 -0.63 0.00 0.00 0.00 175.10 175.01 1hqk s ILE 76 N -0.41 3.29 -0.16 2.22 1.01 0.49 -0.52 121.20 127.13 1hqk s ILE 76 Ca 0.04 -0.62 -0.16 0.00 0.00 0.00 0.00 60.65 59.91 1hqk s ILE 76 Cb -0.12 -2.54 -0.04 0.00 0.01 0.00 0.00 42.46 39.77 1hqk s ILE 76 CO 0.02 0.36 0.38 0.00 0.00 0.00 0.00 174.94 175.69 1hqk s ALA 77 N 1.45 3.55 -0.08 9.38 0.00 -0.57 -1.56 121.76 133.92 1hqk s ALA 77 Ca 0.05 -0.40 0.01 0.00 0.00 0.00 0.00 51.96 51.61 1hqk s ALA 77 Cb -0.15 -2.54 0.02 0.00 0.00 0.00 0.00 23.12 20.45 1hqk s ALA 77 CO -0.03 -0.06 -0.09 0.42 0.00 0.00 0.00 175.76 176.00 1hqk s ILE 78 N 0.78 0.94 0.10 0.00 1.01 0.17 0.55 121.20 124.75 1hqk s ILE 78 Ca 0.20 -0.31 -0.27 0.00 0.00 0.00 0.00 60.65 60.27 1hqk s ILE 78 Cb -0.14 -0.92 0.08 0.00 0.01 0.00 0.00 42.46 41.49 1hqk s ILE 78 CO 0.07 0.33 1.08 -0.83 0.00 0.00 0.00 174.94 175.59 1hqk s GLY 79 N 1.12 -0.27 -0.13 6.18 0.00 -1.10 -1.80 107.32 111.33 1hqk s GLY 79 Ca -0.07 0.28 -0.02 0.00 0.00 0.00 0.00 44.72 44.91 1hqk s GLY 79 CO -0.01 0.31 -0.00 0.14 0.00 0.00 0.00 173.10 173.54 1hqk s VAL 80 N -2.90 0.57 -0.17 1.40 1.01 -1.26 -0.58 120.40 118.47 1hqk s VAL 80 Ca 0.14 -0.23 -0.04 0.00 0.00 0.00 0.00 61.98 61.85 1hqk s VAL 80 Cb 0.01 -0.83 -0.03 0.00 0.00 0.00 0.00 36.38 35.52 1hqk s VAL 80 CO 0.00 0.10 -0.02 -0.76 0.00 0.00 0.00 175.10 174.43 1hqk s LEU 81 N 1.87 3.32 -0.08 3.92 1.43 0.10 -4.72 118.68 124.52 1hqk s LEU 81 Ca 0.03 -0.12 0.04 0.00 -1.03 0.00 0.00 54.13 53.04 1hqk s LEU 81 Cb -0.14 -1.81 0.00 0.00 0.03 0.00 0.00 46.19 44.26 1hqk s LEU 81 CO -0.07 0.15 -0.21 -0.63 0.23 0.00 0.00 176.35 175.82 1hqk s ILE 82 N 0.51 1.81 0.31 -0.59 1.01 -1.26 -0.74 121.20 122.25 1hqk s ILE 82 Ca -0.02 -0.89 -0.29 0.00 0.00 0.00 0.00 60.65 59.45 1hqk s ILE 82 Cb -0.14 -1.57 -0.10 0.00 0.01 0.00 0.00 42.46 40.66 1hqk s ILE 82 CO 0.02 0.51 1.37 -0.60 0.00 0.00 0.00 174.94 176.24 1hqk s ARG 83 N 0.28 4.30 0.00 2.79 3.52 -0.10 -4.94 118.95 124.81 1hqk s ARG 83 Ca -0.14 2.28 0.00 0.00 -0.13 0.00 0.00 55.73 57.74 1hqk s ARG 83 Cb -0.16 -3.07 0.00 0.00 -1.56 0.00 0.00 34.95 30.16 1hqk s ARG 83 CO 0.06 -0.30 0.00 0.41 -0.81 0.00 0.00 175.30 174.67 1hqk n GLY 84 N 1.17 2.33 0.11 8.12 0.00 -1.26 -4.84 105.19 110.82 1hqk n GLY 84 Ca 0.02 -1.86 0.02 0.00 0.00 0.00 0.00 46.02 44.21 1hqk n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hqk h ALA 85 N -0.73 0.65 -0.76 4.61 0.00 -2.01 -3.47 119.26 117.55 1hqk h ALA 85 Ca 0.00 -0.62 -0.53 0.00 0.00 0.00 0.00 54.91 53.76 1hqk h ALA 85 Cb 0.00 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1hqk h ALA 85 CO 0.00 0.71 -0.22 0.95 0.00 0.00 0.00 179.25 180.69 1hqk s THR 86 N -2.99 1.98 -2.00 0.00 -4.23 -1.26 -5.00 115.64 102.14 1hqk s THR 86 Ca -0.01 -1.25 0.16 0.00 -1.18 0.00 0.00 61.69 59.41 1hqk s THR 86 Cb 0.08 -2.23 0.45 0.00 1.34 0.00 0.00 72.50 72.14 1hqk s THR 86 CO 0.79 0.00 1.53 -0.81 -0.54 0.00 0.00 174.62 175.59 1hqk n PRO 87 N -1.96 0.90 -0.25 3.99 -0.04 -1.26 -4.15 135.00 132.22 1hqk n PRO 87 Ca 0.07 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.54 1hqk n PRO 87 Cb 0.63 -1.27 0.09 0.00 -0.04 0.00 0.00 33.50 32.91 1hqk n PRO 87 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1hqk h HIS 88 N 0.00 -0.34 -0.71 0.54 2.76 -1.95 -1.50 115.15 113.95 1hqk h HIS 88 Ca 0.00 0.06 0.16 0.00 -2.20 0.00 0.00 60.37 58.39 1hqk h HIS 88 Cb 0.00 0.26 -0.11 0.00 1.55 0.00 0.00 27.41 29.11 1hqk h HIS 88 CO 0.00 -0.30 0.11 0.35 -1.30 0.00 0.00 177.93 176.78 1hqk h PHE 89 N 0.01 0.15 -0.41 5.26 3.57 -1.93 -1.22 116.94 122.37 1hqk h PHE 89 Ca 0.36 0.05 0.07 0.00 3.53 0.00 0.00 57.97 61.97 1hqk h PHE 89 Cb 0.56 0.05 -0.06 0.00 2.79 0.00 0.00 35.95 39.29 1hqk h PHE 89 CO -0.56 -0.13 0.08 -0.44 -2.23 0.00 0.00 178.31 175.02 1hqk h ASP 90 N 0.20 0.00 -0.16 0.41 3.45 -1.58 0.14 116.42 118.89 1hqk h ASP 90 Ca 0.40 0.07 -0.16 0.00 0.43 0.00 0.00 57.03 57.76 1hqk h ASP 90 Cb 0.68 0.10 -0.00 0.00 -0.56 0.00 0.00 39.33 39.54 1hqk h ASP 90 CO -0.54 0.04 -0.50 1.88 -1.57 0.00 0.00 179.24 178.54 1hqk h TYR 91 N 0.21 0.90 -0.04 4.55 0.05 -1.23 -0.99 116.97 120.42 1hqk h TYR 91 Ca 0.20 -0.30 -0.01 0.00 0.05 0.00 0.00 58.73 58.67 1hqk h TYR 91 Cb 0.25 -0.18 -0.00 0.00 1.01 0.00 0.00 36.73 37.81 1hqk h TYR 91 CO -0.21 1.08 -0.01 0.82 -1.05 0.00 0.00 178.16 178.79 1hqk h ILE 92 N 0.57 1.29 -0.72 -2.88 1.08 -1.01 -1.82 117.51 114.02 1hqk h ILE 92 Ca 0.02 -0.88 0.02 0.00 -0.39 0.00 0.00 64.86 63.64 1hqk h ILE 92 Cb 1.07 1.80 -0.04 0.00 -3.07 0.00 0.00 36.82 36.57 1hqk h ILE 92 CO 0.10 0.24 0.46 0.00 -0.69 0.00 0.00 178.15 178.26 1hqk h ALA 93 N 0.66 0.94 -0.44 1.87 0.00 -0.74 -0.71 119.26 120.83 1hqk h ALA 93 Ca 0.01 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1hqk h ALA 93 Cb 0.39 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1hqk h ALA 93 CO 0.00 0.26 0.26 1.03 0.00 0.00 0.00 179.25 180.80 1hqk h SER 94 N 0.91 0.54 0.77 0.00 0.87 -1.12 -2.15 113.55 113.36 1hqk h SER 94 Ca 0.28 -0.07 -0.19 0.00 -1.23 0.00 0.00 61.79 60.58 1hqk h SER 94 Cb -0.01 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 61.79 1hqk h SER 94 CO -0.10 0.45 -0.88 -0.33 -0.53 0.00 0.00 176.83 175.44 1hqk h GLU 95 N 0.58 0.07 -0.24 2.24 4.39 -0.89 -0.79 114.58 119.94 1hqk h GLU 95 Ca 0.16 -0.08 -0.07 0.00 0.34 0.00 0.00 59.36 59.70 1hqk h GLU 95 Cb 0.02 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 1hqk h GLU 95 CO -0.03 0.90 -0.11 0.28 -1.16 0.00 0.00 179.01 178.89 1hqk h VAL 96 N 0.03 1.30 -0.44 3.13 2.07 -1.10 0.10 116.25 121.34 1hqk h VAL 96 Ca -0.02 -1.19 -0.04 0.00 0.82 0.00 0.00 66.70 66.27 1hqk h VAL 96 Cb 1.54 1.57 -0.02 0.00 -1.52 0.00 0.00 31.29 32.86 1hqk h VAL 96 CO 0.12 0.37 0.10 0.77 0.02 0.00 0.00 177.57 178.95 1hqk h SER 97 N 0.22 0.68 -0.59 0.57 4.64 -1.39 -2.03 113.55 115.65 1hqk h SER 97 Ca 0.05 -0.24 -0.01 0.00 -0.47 0.00 0.00 61.79 61.12 1hqk h SER 97 Cb 0.61 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 62.50 1hqk h SER 97 CO 0.03 0.74 0.32 0.50 -0.87 0.00 0.00 176.83 177.55 1hqk h LYS 98 N 0.58 0.83 -0.37 4.77 3.11 -1.09 -1.69 116.57 122.71 1hqk h LYS 98 Ca 0.14 -0.10 -0.09 0.00 -2.81 0.00 0.00 60.65 57.78 1hqk h LYS 98 Cb 0.33 -0.16 -0.01 0.00 -1.00 0.00 0.00 32.23 31.39 1hqk h LYS 98 CO 0.00 0.64 -0.14 0.78 -2.81 0.00 0.00 179.45 177.92 1hqk h GLY 99 N 0.80 0.81 0.98 5.01 0.00 -0.87 -0.56 103.07 109.23 1hqk h GLY 99 Ca 0.21 -0.70 -0.04 0.00 0.00 0.00 0.00 47.33 46.80 1hqk h GLY 99 CO -0.03 0.64 0.16 1.41 0.00 0.00 0.00 176.54 178.72 1hqk h LEU 100 N 0.54 0.74 -0.26 3.11 3.38 -1.29 -0.14 115.31 121.38 1hqk h LEU 100 Ca 0.09 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1hqk h LEU 100 Cb 0.67 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1hqk h LEU 100 CO 0.05 0.75 0.10 0.00 0.09 0.00 0.00 178.44 179.43 1hqk h ALA 101 N 1.02 0.34 -0.46 1.53 0.00 -1.19 -1.35 119.26 119.14 1hqk h ALA 101 Ca 0.16 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.99 1hqk h ALA 101 Cb 0.27 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 1hqk h ALA 101 CO -0.01 -0.07 0.24 -0.91 0.00 0.00 0.00 179.25 178.50 1hqk h ASN 102 N 0.27 0.35 -0.84 0.00 2.35 -1.01 -2.73 115.58 113.98 1hqk h ASN 102 Ca 0.09 0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.86 1hqk h ASN 102 Cb 0.18 -0.04 -0.04 0.00 0.05 0.00 0.00 38.32 38.46 1hqk h ASN 102 CO -0.01 0.25 0.51 -0.07 -1.65 0.00 0.00 177.43 176.46 1hqk h LEU 103 N 0.47 1.00 -0.70 1.61 3.38 -0.85 0.55 115.31 120.78 1hqk h LEU 103 Ca 0.20 -0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.15 1hqk h LEU 103 Cb 0.10 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.55 1hqk h LEU 103 CO -0.13 0.76 0.42 -1.28 0.09 0.00 0.00 178.44 178.30 1hqk h SER 104 N 1.15 0.67 -0.26 -0.43 0.87 -1.00 -0.64 113.55 113.91 1hqk h SER 104 Ca 0.30 0.01 -0.12 0.00 -1.23 0.00 0.00 61.79 60.75 1hqk h SER 104 Cb -0.06 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 61.77 1hqk h SER 104 CO -0.06 0.46 -0.30 -0.07 -0.53 0.00 0.00 176.83 176.33 1hqk h LEU 105 N 0.81 0.71 -0.60 2.23 3.38 -1.17 0.03 115.31 120.69 1hqk h LEU 105 Ca 0.29 -0.49 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 1hqk h LEU 105 Cb 0.08 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 1hqk h LEU 105 CO -0.13 1.05 0.28 -0.08 0.09 0.00 0.00 178.44 179.65 1hqk h GLU 106 N 0.38 0.87 -0.01 1.13 4.81 -0.70 -3.07 114.58 117.99 1hqk h GLU 106 Ca 0.04 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1hqk h GLU 106 Cb 0.87 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.09 1hqk h GLU 106 CO 0.07 0.72 -0.17 1.28 -0.73 0.00 0.00 179.01 180.18 1hqk n LEU 107 N -4.51 1.63 -3.73 1.64 4.77 -0.26 -4.97 117.00 111.58 1hqk n LEU 107 Ca 0.04 -0.53 -0.24 0.00 -0.03 0.00 0.00 56.01 55.24 1hqk n LEU 107 Cb 0.13 -0.04 0.02 0.00 -2.33 0.00 0.00 43.42 41.20 1hqk n LEU 107 CO 0.38 0.29 -0.10 0.54 -1.33 0.00 0.00 177.39 177.16 1hqk n ARG 108 N 0.02 -3.44 -3.75 3.23 1.74 -0.06 -4.98 116.66 109.43 1hqk n ARG 108 Ca 0.14 0.54 -0.13 0.00 -0.77 0.00 0.00 57.85 57.64 1hqk n ARG 108 Cb 0.41 -4.80 -0.11 0.00 -1.02 0.00 0.00 32.46 26.93 1hqk n ARG 108 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1hqk s LYS 109 N -6.01 0.35 0.17 5.56 2.20 -0.86 -5.05 119.74 116.09 1hqk s LYS 109 Ca 0.15 0.50 -0.31 0.00 -0.36 0.00 0.00 55.97 55.94 1hqk s LYS 109 Cb -0.05 0.11 -0.10 0.00 -1.51 0.00 0.00 37.83 36.29 1hqk s LYS 109 CO 0.84 -0.07 1.52 -2.14 -0.36 0.00 0.00 175.35 175.13 1hqk s PRO 110 N 0.47 4.24 -0.15 4.03 0.02 -1.26 -4.48 135.00 137.87 1hqk s PRO 110 Ca -0.02 2.30 -0.01 0.00 0.02 0.00 0.00 61.00 63.29 1hqk s PRO 110 Cb -0.04 -3.17 0.04 0.00 0.02 0.00 0.00 34.50 31.35 1hqk s PRO 110 CO -0.02 -0.55 -0.06 0.42 -0.33 0.00 0.00 177.00 176.46 1hqk s ILE 111 N 0.99 1.07 0.18 2.83 1.01 -1.26 -1.65 121.20 124.37 1hqk s ILE 111 Ca 0.68 -0.53 0.04 0.00 0.00 0.00 0.00 60.65 60.84 1hqk s ILE 111 Cb -0.42 -1.21 -0.04 0.00 0.01 0.00 0.00 42.46 40.80 1hqk s ILE 111 CO 0.33 0.18 0.24 0.42 0.00 0.00 0.00 174.94 176.11 1hqk s THR 112 N 1.66 4.95 -0.75 2.92 -4.23 0.33 -4.94 115.64 115.57 1hqk s THR 112 Ca 0.02 -0.95 -0.07 0.00 -1.18 0.00 0.00 61.69 59.51 1hqk s THR 112 Cb -0.15 -3.59 0.19 0.00 1.34 0.00 0.00 72.50 70.30 1hqk s THR 112 CO -0.08 -0.17 0.63 0.12 -0.54 0.00 0.00 174.62 174.58 1hqk s PHE 113 N -1.84 3.62 -0.61 3.99 5.36 -1.26 -1.51 117.98 125.74 1hqk s PHE 113 Ca 0.33 -2.50 -0.02 0.00 -0.96 0.00 0.00 56.93 53.78 1hqk s PHE 113 Cb -0.10 -3.45 0.37 0.00 -0.34 0.00 0.00 43.02 39.50 1hqk s PHE 113 CO 0.27 -0.89 2.07 0.41 -1.46 0.00 0.00 175.22 175.62 1hqk n GLY 114 N 3.47 5.40 3.38 13.12 0.00 0.19 -4.83 105.19 125.93 1hqk n GLY 114 Ca 0.12 -2.06 -0.36 0.00 0.00 0.00 0.00 46.02 43.73 1hqk n GLY 114 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hqk s VAL 115 N -4.21 3.98 0.25 1.61 1.01 -1.24 -2.73 120.40 119.07 1hqk s VAL 115 Ca 0.56 -0.40 -0.30 0.00 0.00 0.00 0.00 61.98 61.84 1hqk s VAL 115 Cb 0.44 -2.90 -0.09 0.00 0.00 0.00 0.00 36.38 33.83 1hqk s VAL 115 CO -0.06 0.29 1.03 -0.63 0.00 0.00 0.00 175.10 175.72 1hqk s ILE 116 N 1.55 3.81 -0.48 2.22 1.01 0.25 -4.92 121.20 124.64 1hqk s ILE 116 Ca 0.05 1.78 0.03 0.00 0.00 0.00 0.00 60.65 62.52 1hqk s ILE 116 Cb -0.15 -4.14 0.15 0.00 0.01 0.00 0.00 42.46 38.33 1hqk s ILE 116 CO 0.02 0.41 0.30 0.42 0.00 0.00 0.00 174.94 176.09 1hqk s THR 117 N -1.02 1.51 -0.01 2.92 -4.23 -1.26 -0.72 115.64 112.83 1hqk s THR 117 Ca 0.44 -2.89 -0.01 0.00 -1.18 0.00 0.00 61.69 58.04 1hqk s THR 117 Cb -0.29 -2.04 -0.04 0.00 1.34 0.00 0.00 72.50 71.47 1hqk s THR 117 CO 0.36 -0.97 0.11 0.00 -0.54 0.00 0.00 174.62 173.58 1hqk s ALA 118 N -0.03 3.68 0.14 3.99 0.00 0.08 -5.00 121.76 124.61 1hqk s ALA 118 Ca 0.21 -0.84 0.10 0.00 0.00 0.00 0.00 51.96 51.43 1hqk s ALA 118 Cb -0.16 -1.66 0.04 0.00 0.00 0.00 0.00 23.12 21.33 1hqk s ALA 118 CO -0.06 0.70 1.42 -0.44 0.00 0.00 0.00 175.76 177.38 1hqk h ASP 119 N 4.06 0.00 -4.08 0.00 3.32 -1.93 -0.22 116.42 117.57 1hqk h ASP 119 Ca -0.49 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.23 1hqk h ASP 119 Cb 1.18 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.59 1hqk h ASP 119 CO 0.64 0.80 -0.69 0.42 -1.72 0.00 0.00 179.24 178.69 1hqk s THR 120 N -3.05 1.01 0.20 0.35 -4.23 -1.26 -3.92 115.64 104.74 1hqk s THR 120 Ca 0.01 -2.03 -0.08 0.00 -1.18 0.00 0.00 61.69 58.40 1hqk s THR 120 Cb 0.11 -2.03 0.12 0.00 1.34 0.00 0.00 72.50 72.04 1hqk s THR 120 CO 0.79 -0.59 1.73 0.25 -0.54 0.00 0.00 174.62 176.26 1hqk h LEU 121 N 2.69 1.07 -0.64 4.79 5.85 -1.93 -2.45 115.31 124.69 1hqk h LEU 121 Ca -0.37 -0.21 0.06 0.00 0.84 0.00 0.00 57.88 58.20 1hqk h LEU 121 Cb 1.20 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 41.89 1hqk h LEU 121 CO 0.64 1.00 0.34 -0.08 -0.34 0.00 0.00 178.44 179.99 1hqk h GLU 122 N 1.08 0.60 -0.50 1.25 4.81 -1.99 0.70 114.58 120.53 1hqk h GLU 122 Ca 0.23 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.39 1hqk h GLU 122 Cb 0.32 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 1hqk h GLU 122 CO -0.01 0.40 0.16 1.96 -0.73 0.00 0.00 179.01 180.79 1hqk h GLN 123 N 0.62 0.74 -0.30 1.92 4.20 -1.90 -0.98 115.11 119.41 1hqk h GLN 123 Ca 0.29 -0.12 -0.09 0.00 0.06 0.00 0.00 58.65 58.79 1hqk h GLN 123 Cb 0.21 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 1hqk h GLN 123 CO -0.20 0.64 -0.18 0.00 -0.67 0.00 0.00 178.83 178.42 1hqk h ALA 124 N 1.46 0.42 -0.62 3.87 0.00 -0.87 -2.64 119.26 120.88 1hqk h ALA 124 Ca 0.17 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 54.74 1hqk h ALA 124 Cb 0.21 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1hqk h ALA 124 CO -0.01 0.35 0.41 0.82 0.00 0.00 0.00 179.25 180.81 1hqk h ILE 125 N 0.40 1.14 -0.96 0.00 2.04 -0.54 -2.30 117.51 117.28 1hqk h ILE 125 Ca 0.06 -0.28 0.17 0.00 1.00 0.00 0.00 64.86 65.81 1hqk h ILE 125 Cb 0.71 0.24 -0.09 0.00 -0.74 0.00 0.00 36.82 36.95 1hqk h ILE 125 CO 0.05 0.15 0.61 -0.33 0.00 0.00 0.00 178.15 178.63 1hqk h GLU 126 N 0.82 0.71 -0.21 2.37 5.08 -1.05 -2.45 114.58 119.85 1hqk h GLU 126 Ca 0.23 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1hqk h GLU 126 Cb -0.07 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.02 1hqk h GLU 126 CO -0.06 0.47 0.00 0.54 -1.00 0.00 0.00 179.01 178.96 1hqk n ARG 127 N -4.64 2.15 -2.24 2.33 1.74 -0.91 -0.35 116.66 114.73 1hqk n ARG 127 Ca 0.21 -1.71 -0.29 0.00 -0.77 0.00 0.00 57.85 55.29 1hqk n ARG 127 Cb 0.53 -1.46 0.01 0.00 -1.02 0.00 0.00 32.46 30.52 1hqk n ARG 127 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1hqk n ALA 128 N 0.97 5.34 -0.09 7.54 0.00 -0.92 -1.59 120.51 131.76 1hqk n ALA 128 Ca 0.17 -4.14 0.00 0.00 0.00 0.00 0.00 53.44 49.48 1hqk n ALA 128 Cb 0.49 -0.77 0.00 0.00 0.00 0.00 0.00 19.45 19.17 1hqk n ALA 128 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hqk n GLY 129 N -0.56 1.22 0.00 0.00 0.00 0.11 -4.71 105.19 101.25 1hqk n GLY 129 Ca 0.44 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.38 1hqk n GLY 129 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1hqk n THR 130 N -1.83 0.00 0.31 2.61 -2.24 -1.15 -4.93 114.28 107.06 1hqk n THR 130 Ca 0.00 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.92 1hqk n THR 130 Cb 0.01 0.00 0.45 0.00 -2.10 0.00 0.00 70.33 68.69 1hqk n THR 130 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1hqk h LYS 131 N 0.00 0.00 -0.46 -0.78 2.10 -1.80 -2.02 116.57 113.60 1hqk h LYS 131 Ca 0.00 0.00 -0.19 0.00 -2.00 0.00 0.00 60.65 58.46 1hqk h LYS 131 Cb 0.00 0.00 -0.11 0.00 -0.90 0.00 0.00 32.23 31.22 1hqk h LYS 131 CO 0.00 0.00 0.09 0.72 -2.00 0.00 0.00 179.45 178.26 1hqk n HIS 132 N -2.89 1.49 -2.00 0.07 8.25 0.52 -5.05 115.22 115.61 1hqk n HIS 132 Ca 0.03 -1.41 0.00 0.00 -0.26 0.00 0.00 57.72 56.08 1hqk n HIS 132 Cb 0.39 -0.53 0.00 0.00 1.12 0.00 0.00 29.99 30.96 1hqk n HIS 132 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1hqk n GLY 133 N -0.86 -1.25 2.70 -1.41 0.00 -0.76 -4.66 105.19 98.95 1hqk n GLY 133 Ca 0.35 -1.60 -0.25 0.00 0.00 0.00 0.00 46.02 44.51 1hqk n GLY 133 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1hqk s ASN 134 N -4.00 2.27 0.47 1.61 3.84 -1.26 0.08 114.94 117.95 1hqk s ASN 134 Ca 0.00 -0.50 0.26 0.00 0.21 0.00 0.00 52.86 52.82 1hqk s ASN 134 Cb 0.00 -0.41 1.10 0.00 -0.55 0.00 0.00 41.25 41.38 1hqk s ASN 134 CO 0.00 -0.29 1.90 0.11 -2.79 0.00 0.00 177.10 176.04 1hqk h LYS 135 N 8.33 0.00 -0.13 0.43 1.79 -1.62 -2.29 116.57 123.09 1hqk h LYS 135 Ca -0.16 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.29 1hqk h LYS 135 Cb 1.13 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.77 1hqk h LYS 135 CO 0.29 0.19 0.02 0.78 -1.08 0.00 0.00 179.45 179.65 1hqk h GLY 136 N 1.72 0.23 0.70 3.86 0.00 -1.83 -1.00 103.07 106.74 1hqk h GLY 136 Ca -0.00 -0.15 0.07 0.00 0.00 0.00 0.00 47.33 47.25 1hqk h GLY 136 CO 0.02 0.14 0.57 -0.25 0.00 0.00 0.00 176.54 177.03 1hqk h TRP 137 N -0.01 1.06 -0.42 5.60 7.01 -1.60 -1.23 115.95 126.36 1hqk h TRP 137 Ca 0.04 0.03 -0.11 0.00 2.11 0.00 0.00 58.89 60.96 1hqk h TRP 137 Cb 0.28 -0.34 -0.01 0.00 -2.10 0.00 0.00 29.16 26.99 1hqk h TRP 137 CO 0.01 0.53 -0.15 0.93 -2.79 0.00 0.00 178.44 176.97 1hqk h GLU 138 N 1.03 0.84 -0.02 2.65 5.08 -1.34 -0.72 114.58 122.10 1hqk h GLU 138 Ca 0.40 -0.34 -0.10 0.00 -1.00 0.00 0.00 59.36 58.31 1hqk h GLU 138 Cb 0.20 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1hqk h GLU 138 CO -0.18 0.98 -0.48 0.00 -1.00 0.00 0.00 179.01 178.33 1hqk h ALA 139 N 0.84 1.18 -0.24 3.43 0.00 -1.04 -0.90 119.26 122.52 1hqk h ALA 139 Ca 0.10 -0.44 -0.19 0.00 0.00 0.00 0.00 54.91 54.38 1hqk h ALA 139 Cb 0.70 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1hqk h ALA 139 CO 0.05 0.61 -0.59 0.00 0.00 0.00 0.00 179.25 179.31 1hqk h ALA 140 N 1.48 0.40 -0.78 0.00 0.00 -0.92 -1.86 119.26 117.58 1hqk h ALA 140 Ca -0.00 -0.53 -0.04 0.00 0.00 0.00 0.00 54.91 54.34 1hqk h ALA 140 Cb 0.86 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 1hqk h ALA 140 CO 0.06 0.65 0.34 1.25 0.00 0.00 0.00 179.25 181.55 1hqk h LEU 141 N 0.59 1.05 -0.77 0.00 5.85 -0.70 0.76 115.31 122.09 1hqk h LEU 141 Ca -0.01 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.55 1hqk h LEU 141 Cb 1.21 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.93 1hqk h LEU 141 CO 0.13 0.91 0.40 0.28 -0.34 0.00 0.00 178.44 179.82 1hqk h SER 142 N 1.13 0.98 -0.23 1.25 0.02 -1.07 -2.00 113.55 113.62 1hqk h SER 142 Ca 0.27 -0.11 -0.12 0.00 -0.84 0.00 0.00 61.79 60.98 1hqk h SER 142 Cb 0.17 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 1hqk h SER 142 CO -0.03 0.81 -0.27 0.00 -1.14 0.00 0.00 176.83 176.20 1hqk h ALA 143 N 1.20 0.87 -0.22 3.77 0.00 -0.68 -0.86 119.26 123.34 1hqk h ALA 143 Ca 0.27 -0.39 0.04 0.00 0.00 0.00 0.00 54.91 54.83 1hqk h ALA 143 Cb 0.07 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1hqk h ALA 143 CO -0.04 0.63 0.00 0.82 0.00 0.00 0.00 179.25 180.67 1hqk h ILE 144 N 0.62 0.85 -0.34 0.00 2.04 -0.66 0.49 117.51 120.50 1hqk h ILE 144 Ca 0.08 -0.03 -0.02 0.00 1.00 0.00 0.00 64.86 65.90 1hqk h ILE 144 Cb 0.78 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.61 1hqk h ILE 144 CO 0.06 0.01 0.15 -0.08 0.00 0.00 0.00 178.15 178.30 1hqk h GLU 145 N 0.08 0.50 -0.40 2.37 4.81 -1.14 -1.58 114.58 119.21 1hqk h GLU 145 Ca 0.11 -0.08 -0.05 0.00 -0.13 0.00 0.00 59.36 59.20 1hqk h GLU 145 Cb 0.13 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 1hqk h GLU 145 CO -0.17 0.47 0.04 0.52 -0.73 0.00 0.00 179.01 179.14 1hqk h MET 146 N 0.41 0.68 -0.92 1.92 2.86 -0.99 0.25 114.93 119.13 1hqk h MET 146 Ca 0.12 -0.19 0.01 0.00 -2.06 0.00 0.00 59.70 57.57 1hqk h MET 146 Cb 0.14 -0.07 -0.05 0.00 0.06 0.00 0.00 31.60 31.68 1hqk h MET 146 CO -0.01 0.74 0.60 0.00 1.06 0.00 0.00 176.91 179.30 1hqk h ALA 147 N 0.91 1.17 -0.46 6.32 0.00 -0.77 -0.01 119.26 126.44 1hqk h ALA 147 Ca 0.12 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1hqk h ALA 147 Cb 0.40 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1hqk h ALA 147 CO 0.01 0.58 0.11 -0.91 0.00 0.00 0.00 179.25 179.05 1hqk h ASN 148 N 1.26 0.69 -0.36 0.00 -0.26 -1.07 -2.32 115.58 113.52 1hqk h ASN 148 Ca 0.34 -0.23 0.05 0.00 -0.56 0.00 0.00 56.30 55.90 1hqk h ASN 148 Cb -0.13 -0.18 -0.04 0.00 -1.06 0.00 0.00 38.32 36.91 1hqk h ASN 148 CO -0.07 0.74 0.09 0.25 -1.06 0.00 0.00 177.43 177.38 1hqk h LEU 149 N 0.61 0.06 -1.47 1.61 5.85 -0.65 -2.33 115.31 118.99 1hqk h LEU 149 Ca 0.14 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.90 1hqk h LEU 149 Cb 0.32 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.41 1hqk h LEU 149 CO 0.00 0.07 -0.08 -0.26 -0.34 0.00 0.00 178.44 177.83 1hqk h PHE 150 N 0.22 0.00 -0.91 1.25 -1.00 -0.73 -0.46 116.94 115.31 1hqk h PHE 150 Ca 0.17 0.00 0.21 0.00 2.81 0.00 0.00 57.97 61.16 1hqk h PHE 150 Cb 0.18 0.00 -0.07 0.00 3.61 0.00 0.00 35.95 39.67 1hqk h PHE 150 CO -0.17 0.08 0.61 0.87 -1.61 0.00 0.00 178.31 178.09 1hqk h LYS 151 N 0.00 0.39 0.00 1.51 1.57 -0.86 -1.23 116.57 117.94 1hqk h LYS 151 Ca -0.00 -0.02 -0.27 0.00 -1.87 0.00 0.00 60.65 58.49 1hqk h LYS 151 Cb 0.55 -0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.72 1hqk h LYS 151 CO 0.01 0.26 -2.11 -1.13 -0.57 0.00 0.00 179.45 175.91 1hqk n SER 152 N -4.51 0.87 0.07 0.86 3.41 -0.55 -4.70 113.62 109.07 1hqk n SER 152 Ca 0.20 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.65 1hqk n SER 152 Cb 0.72 1.03 -0.07 0.00 -0.26 0.00 0.00 64.21 65.62 1hqk n SER 152 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1hqk h LEU 153 N 0.00 0.60 -0.32 1.04 5.85 -1.05 -3.53 115.31 117.90 1hqk h LEU 153 Ca -0.40 -0.51 0.00 0.00 0.84 0.00 0.00 57.88 57.82 1hqk h LEU 153 Cb 1.88 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.72 1hqk h LEU 153 CO 0.02 1.32 0.00 -1.14 -0.34 0.00 0.00 178.44 178.30