#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 4.38 -0.12 2.12 -0.21 -1.26 -5.05 119.66 119.51 1hqk s GLN 2 Ca 0.00 0.78 0.00 0.00 0.02 0.00 0.00 55.36 56.17 1hqk s GLN 2 Cb 0.00 -3.39 0.02 0.00 1.00 0.00 0.00 33.01 30.64 1hqk s GLN 2 CO 0.00 0.24 -0.11 0.42 -2.12 0.00 0.00 175.29 173.71 1hqk s ILE 3 N 0.23 1.31 -0.11 1.08 1.01 -1.26 -5.12 121.20 118.34 1hqk s ILE 3 Ca 0.33 -0.48 0.01 0.00 0.00 0.00 0.00 60.65 60.51 1hqk s ILE 3 Cb -0.18 -1.25 -0.02 0.00 0.01 0.00 0.00 42.46 41.02 1hqk s ILE 3 CO 0.17 0.41 -0.12 -0.31 0.00 0.00 0.00 174.94 175.09 1hqk s TYR 4 N 1.45 2.80 0.12 3.97 1.51 -1.26 -5.12 117.35 120.83 1hqk s TYR 4 Ca 0.02 -0.44 -0.17 0.00 -1.01 0.00 0.00 57.07 55.47 1hqk s TYR 4 Cb -0.13 -1.78 0.04 0.00 -0.11 0.00 0.00 41.96 39.97 1hqk s TYR 4 CO -0.07 -0.06 0.42 -1.83 -1.11 0.00 0.00 175.55 172.90 1hqk s GLU 5 N -0.02 1.08 -0.16 -0.62 -1.05 -1.26 -5.11 118.70 111.56 1hqk s GLU 5 Ca -0.03 -0.67 -0.08 0.00 -0.15 0.00 0.00 54.97 54.05 1hqk s GLU 5 Cb -0.14 0.48 -0.04 0.00 -0.44 0.00 0.00 34.13 33.98 1hqk s GLU 5 CO 0.04 -0.42 0.11 0.20 0.95 0.00 0.00 175.26 176.13 1hqk s GLY 6 N -2.75 2.04 1.06 -3.83 0.00 -1.26 -4.43 107.32 98.15 1hqk s GLY 6 Ca 0.02 -0.69 -0.17 0.00 0.00 0.00 0.00 44.72 43.88 1hqk s GLY 6 CO -0.12 -0.14 1.23 -1.59 0.00 0.00 0.00 173.10 172.48 1hqk s LYS 7 N -0.28 -0.13 -0.03 2.90 -2.85 -1.26 -4.86 119.74 113.23 1hqk s LYS 7 Ca 0.10 -0.25 0.10 0.00 -1.00 0.00 0.00 55.97 54.92 1hqk s LYS 7 Cb -0.12 -1.74 0.27 0.00 -2.06 0.00 0.00 37.83 34.18 1hqk s LYS 7 CO 0.01 -2.95 1.22 1.28 0.10 0.00 0.00 175.35 175.00 1hqk n LEU 8 N -4.18 2.83 -4.77 2.77 4.77 -1.26 -4.11 117.00 113.05 1hqk n LEU 8 Ca 0.14 -2.19 -0.40 0.00 -0.03 0.00 0.00 56.01 53.53 1hqk n LEU 8 Cb 0.59 -0.23 -0.06 0.00 -2.33 0.00 0.00 43.42 41.40 1hqk n LEU 8 CO 0.46 0.67 0.46 0.42 -1.33 0.00 0.00 177.39 178.07 1hqk s THR 9 N -1.34 4.54 -0.17 -5.08 -4.23 -1.26 -4.87 115.64 103.24 1hqk s THR 9 Ca 0.21 1.64 0.17 0.00 -1.18 0.00 0.00 61.69 62.53 1hqk s THR 9 Cb 0.13 -4.11 0.44 0.00 1.34 0.00 0.00 72.50 70.30 1hqk s THR 9 CO 0.11 0.46 1.32 0.00 -0.54 0.00 0.00 174.62 175.97 1hqk n ALA 10 N 2.09 2.78 -1.69 3.99 0.00 0.36 -4.97 120.51 123.07 1hqk n ALA 10 Ca -0.05 -2.49 -0.43 0.00 0.00 0.00 0.00 53.44 50.48 1hqk n ALA 10 Cb 0.49 -0.58 -0.03 0.00 0.00 0.00 0.00 19.45 19.33 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 -0.90 2.70 -0.85 0.00 2.13 -1.25 -1.67 120.64 120.80 1hqk n GLU 11 Ca 0.20 0.98 0.00 0.00 0.66 0.00 0.00 57.16 59.00 1hqk n GLU 11 Cb 0.80 -2.85 0.00 0.00 0.27 0.00 0.00 31.44 29.66 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 4.10 0.97 3.86 8.31 0.00 -1.26 -5.00 105.19 116.17 1hqk n GLY 12 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 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 4.08 -0.14 0.99 1.43 -0.67 -5.06 118.68 119.31 1hqk s LEU 13 Ca 0.00 1.14 0.01 0.00 -1.03 0.00 0.00 54.13 54.25 1hqk s LEU 13 Cb 0.00 -3.94 0.02 0.00 0.03 0.00 0.00 46.19 42.30 1hqk s LEU 13 CO 0.00 -0.18 -0.15 -0.13 0.23 0.00 0.00 176.35 176.12 1hqk s ARG 14 N -3.00 2.34 0.06 1.70 0.52 -1.26 -4.60 118.95 114.71 1hqk s ARG 14 Ca 0.52 -0.58 0.09 0.00 -0.52 0.00 0.00 55.73 55.23 1hqk s ARG 14 Cb -0.11 -2.09 -0.03 0.00 0.52 0.00 0.00 34.95 33.24 1hqk s ARG 14 CO 0.20 -0.18 -0.25 -0.06 0.02 0.00 0.00 175.30 175.02 1hqk s PHE 15 N 1.33 2.36 -0.15 -0.53 0.40 -0.72 -0.15 117.98 120.52 1hqk s PHE 15 Ca 0.02 -0.38 -0.06 0.00 -0.60 0.00 0.00 56.93 55.90 1hqk s PHE 15 Cb -0.13 -1.38 -0.04 0.00 0.51 0.00 0.00 43.02 41.98 1hqk s PHE 15 CO -0.08 0.18 0.06 0.20 0.70 0.00 0.00 175.22 176.28 1hqk s GLY 16 N -1.40 1.93 -0.14 4.36 0.00 -0.62 -0.42 107.32 111.02 1hqk s GLY 16 Ca 0.13 -0.74 0.02 0.00 0.00 0.00 0.00 44.72 44.12 1hqk s GLY 16 CO 0.03 -0.14 -0.19 -0.42 0.00 0.00 0.00 173.10 172.37 1hqk s ILE 17 N -0.11 2.30 -0.29 0.90 1.01 0.87 -0.04 121.20 125.84 1hqk s ILE 17 Ca 0.07 -0.90 -0.06 0.00 0.00 0.00 0.00 60.65 59.76 1hqk s ILE 17 Cb -0.12 -1.94 0.01 0.00 0.01 0.00 0.00 42.46 40.42 1hqk s ILE 17 CO 0.01 0.54 0.06 -0.69 0.00 0.00 0.00 174.94 174.86 1hqk s VAL 18 N 0.79 3.83 -0.11 2.92 1.01 -0.59 -0.59 120.40 127.65 1hqk s VAL 18 Ca -0.07 -0.73 0.03 0.00 0.00 0.00 0.00 61.98 61.21 1hqk s VAL 18 Cb -0.16 -2.97 0.01 0.00 0.00 0.00 0.00 36.38 33.26 1hqk s VAL 18 CO -0.01 0.10 -0.20 0.00 0.00 0.00 0.00 175.10 174.99 1hqk s ALA 19 N 1.48 2.02 0.70 5.51 0.00 0.06 -0.59 121.76 130.92 1hqk s ALA 19 Ca 0.02 -0.91 -0.11 0.00 0.00 0.00 0.00 51.96 50.95 1hqk s ALA 19 Cb -0.17 -0.86 0.01 0.00 0.00 0.00 0.00 23.12 22.10 1hqk s ALA 19 CO 0.02 0.08 1.09 -1.54 0.00 0.00 0.00 175.76 175.41 1hqk s SER 20 N 0.67 5.54 -0.03 0.00 1.04 -0.80 -2.07 113.70 118.05 1hqk s SER 20 Ca -0.12 1.18 0.19 0.00 0.48 0.00 0.00 55.95 57.68 1hqk s SER 20 Cb -0.16 -2.01 -0.23 0.00 0.10 0.00 0.00 66.02 63.72 1hqk s SER 20 CO 0.02 -1.28 0.52 0.54 0.98 0.00 0.00 173.24 174.01 1hqk n ARG 21 N -2.98 0.65 -1.98 4.02 1.74 0.08 -4.81 116.66 113.39 1hqk n ARG 21 Ca 0.07 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.74 1hqk n ARG 21 Cb 0.57 -1.63 -0.01 0.00 -1.02 0.00 0.00 32.46 30.36 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 -3.05 2.84 -1.27 -1.55 5.36 -0.68 -1.57 117.98 118.05 1hqk s PHE 22 Ca -0.06 1.30 -0.08 0.00 -0.96 0.00 0.00 56.93 57.13 1hqk s PHE 22 Cb 0.10 -3.83 0.01 0.00 -0.34 0.00 0.00 43.02 38.95 1hqk s PHE 22 CO 0.85 -2.37 1.06 0.09 -1.46 0.00 0.00 175.22 173.39 1hqk n ASN 23 N 0.65 -6.06 0.25 6.13 3.02 -1.26 -4.54 115.26 113.44 1hqk n ASN 23 Ca 0.00 -0.48 0.08 0.00 -0.03 0.00 0.00 54.58 54.16 1hqk n ASN 23 Cb 0.41 -4.70 0.62 0.00 -0.61 0.00 0.00 39.78 35.50 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 -2.43 0.00 -0.15 3.10 2.07 -1.60 0.70 115.15 116.85 1hqk h HIS 24 Ca -0.52 0.00 0.04 0.00 -2.85 0.00 0.00 60.37 57.04 1hqk h HIS 24 Cb 1.34 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.32 1hqk h HIS 24 CO 0.46 0.12 0.12 0.00 -3.07 0.00 0.00 177.93 175.56 1hqk h ALA 25 N 1.88 2.02 0.04 6.11 0.00 -1.90 0.68 119.26 128.09 1hqk h ALA 25 Ca -0.00 -0.01 -0.38 0.00 0.00 0.00 0.00 54.91 54.52 1hqk h ALA 25 Cb 0.24 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 1hqk h ALA 25 CO 0.02 -0.19 -2.24 1.28 0.00 0.00 0.00 179.25 178.11 1hqk n LEU 26 N -4.30 2.65 -0.32 0.00 4.77 0.13 -4.25 117.00 115.68 1hqk n LEU 26 Ca 0.01 0.08 0.01 0.00 -0.03 0.00 0.00 56.01 56.07 1hqk n LEU 26 Cb 0.24 -0.97 0.14 0.00 -2.33 0.00 0.00 43.42 40.50 1hqk n LEU 26 CO 0.33 0.82 1.21 0.58 -1.33 0.00 0.00 177.39 179.00 1hqk h VAL 27 N -0.18 1.08 -0.14 4.08 2.07 -1.03 -0.78 116.25 121.34 1hqk h VAL 27 Ca -0.53 -0.36 0.01 0.00 0.82 0.00 0.00 66.70 66.64 1hqk h VAL 27 Cb 1.86 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 1hqk h VAL 27 CO -0.09 0.19 0.10 0.44 0.02 0.00 0.00 177.57 178.23 1hqk h ASP 28 N 1.04 0.13 -0.37 0.57 3.32 -1.07 0.41 116.42 120.44 1hqk h ASP 28 Ca 0.38 -0.00 -0.16 0.00 0.02 0.00 0.00 57.03 57.26 1hqk h ASP 28 Cb 0.13 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 1hqk h ASP 28 CO -0.16 0.09 -0.41 0.03 -1.72 0.00 0.00 179.24 177.08 1hqk h ARG 29 N 0.15 0.94 -0.67 3.56 2.47 -1.33 -2.16 114.38 117.34 1hqk h ARG 29 Ca 0.06 -0.51 0.04 0.00 -1.26 0.00 0.00 59.98 58.31 1hqk h ARG 29 Cb 0.04 0.02 -0.05 0.00 -1.65 0.00 0.00 29.97 28.34 1hqk h ARG 29 CO -0.01 1.16 0.40 -0.07 0.56 0.00 0.00 179.97 182.01 1hqk h LEU 30 N 0.76 0.63 -0.60 3.04 3.38 -0.81 -1.01 115.31 120.70 1hqk h LEU 30 Ca 0.06 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 1hqk h LEU 30 Cb 1.01 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.61 1hqk h LEU 30 CO 0.10 0.42 0.22 0.58 0.09 0.00 0.00 178.44 179.85 1hqk h VAL 31 N 0.76 1.24 -0.97 1.22 2.07 -0.94 0.63 116.25 120.26 1hqk h VAL 31 Ca 0.28 -0.76 0.04 0.00 0.82 0.00 0.00 66.70 67.07 1hqk h VAL 31 Cb 0.09 0.60 -0.06 0.00 -1.52 0.00 0.00 31.29 30.41 1hqk h VAL 31 CO -0.14 0.29 0.64 -0.33 0.02 0.00 0.00 177.57 178.05 1hqk h GLU 32 N 0.84 1.20 -0.33 1.57 5.08 -1.20 -1.25 114.58 120.50 1hqk h GLU 32 Ca 0.20 -0.07 -0.16 0.00 -1.00 0.00 0.00 59.36 58.32 1hqk h GLU 32 Cb 0.24 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1hqk h GLU 32 CO -0.01 0.79 -0.44 0.78 -1.00 0.00 0.00 179.01 179.13 1hqk h GLY 33 N 1.23 0.92 0.99 -3.84 0.00 -0.55 -1.61 103.07 100.21 1hqk h GLY 33 Ca 0.39 -0.97 -0.03 0.00 0.00 0.00 0.00 47.33 46.72 1hqk h GLY 33 CO -0.12 0.88 0.26 0.00 0.00 0.00 0.00 176.54 177.56 1hqk h ALA 34 N 0.82 0.75 -0.32 3.60 0.00 -0.27 -0.76 119.26 123.08 1hqk h ALA 34 Ca 0.04 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 1hqk h ALA 34 Cb 1.02 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1hqk h ALA 34 CO 0.10 0.33 0.03 0.82 0.00 0.00 0.00 179.25 180.53 1hqk h ILE 35 N 0.79 1.25 -0.30 0.00 2.04 -1.19 -1.55 117.51 118.54 1hqk h ILE 35 Ca 0.20 -0.88 0.00 0.00 1.00 0.00 0.00 64.86 65.18 1hqk h ILE 35 Cb 0.15 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 1hqk h ILE 35 CO -0.02 0.29 0.20 -0.78 0.00 0.00 0.00 178.15 177.83 1hqk h ASP 36 N 0.36 0.33 -0.14 1.72 3.58 -1.12 -0.34 116.42 120.82 1hqk h ASP 36 Ca 0.09 -0.01 0.05 0.00 0.42 0.00 0.00 57.03 57.59 1hqk h ASP 36 Cb 0.39 -0.08 -0.06 0.00 1.72 0.00 0.00 39.33 41.30 1hqk h ASP 36 CO 0.01 0.24 -0.26 0.00 -2.88 0.00 0.00 179.24 176.36 1hqk h ILE 38 N -0.32 0.36 -0.67 0.00 2.04 -0.91 -2.16 117.51 115.86 1hqk h ILE 38 Ca 0.10 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.90 1hqk h ILE 38 Cb 0.47 0.36 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 1hqk h ILE 38 CO -0.32 0.00 0.16 0.58 0.00 0.00 0.00 178.15 178.57 1hqk h VAL 39 N -0.63 1.26 -0.00 1.67 2.07 -0.91 -0.81 116.25 118.90 1hqk h VAL 39 Ca -0.01 -0.95 0.00 0.00 0.82 0.00 0.00 66.70 66.56 1hqk h VAL 39 Cb 0.58 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 1hqk h VAL 39 CO -0.07 0.36 -0.09 0.54 0.02 0.00 0.00 177.57 178.33 1hqk n ARG 40 N -4.28 0.61 -0.09 1.57 1.74 0.14 -1.88 116.66 114.47 1hqk n ARG 40 Ca 0.04 -0.17 0.10 0.00 -0.77 0.00 0.00 57.85 57.05 1hqk n ARG 40 Cb 0.25 -1.50 0.35 0.00 -1.02 0.00 0.00 32.46 30.55 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 -1.04 0.24 0.00 -1.55 8.25 -0.82 -4.93 115.22 115.37 1hqk n HIS 41 Ca 0.14 -0.12 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 1hqk n HIS 41 Cb 0.27 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.38 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 1.14 0.69 3.81 -1.41 0.00 -0.79 -0.48 105.19 108.14 1hqk n GLY 42 Ca 0.16 0.00 -0.33 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 -0.69 2.38 0.13 -0.02 0.00 -0.34 -3.80 107.32 104.99 1hqk s GLY 43 Ca 0.00 0.49 -0.14 0.00 0.00 0.00 0.00 44.72 45.07 1hqk s GLY 43 CO 0.00 0.80 0.53 0.50 0.00 0.00 0.00 173.10 174.92 1hqk s ARG 44 N -3.43 3.96 0.38 2.90 0.52 -1.26 -4.16 118.95 117.86 1hqk s ARG 44 Ca 0.65 0.46 0.10 0.00 -0.52 0.00 0.00 55.73 56.41 1hqk s ARG 44 Cb -0.14 -2.96 0.75 0.00 0.52 0.00 0.00 34.95 33.12 1hqk s ARG 44 CO 0.22 0.50 1.89 1.05 0.02 0.00 0.00 175.30 178.98 1hqk h GLU 45 N 3.65 0.21 0.00 3.54 -0.00 -1.95 -2.01 114.58 118.02 1hqk h GLU 45 Ca -0.49 -0.06 0.00 0.00 -0.00 0.00 0.00 59.36 58.82 1hqk h GLU 45 Cb 1.19 -0.03 0.00 0.00 -0.00 0.00 0.00 28.75 29.92 1hqk h GLU 45 CO 0.66 0.40 0.00 0.93 -0.00 0.00 0.00 179.01 180.99 1hqk h GLU 46 N 0.20 0.00 -0.57 1.06 3.07 -2.00 -1.10 114.58 115.24 1hqk h GLU 46 Ca 0.04 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.90 1hqk h GLU 46 Cb 0.44 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.35 1hqk h GLU 46 CO 0.03 0.00 0.00 -0.25 -1.40 0.00 0.00 179.01 177.39 1hqk n ASP 47 N -2.94 3.17 -4.77 1.42 8.00 -0.75 -4.84 116.55 115.83 1hqk n ASP 47 Ca -0.01 -2.15 -0.36 0.00 0.71 0.00 0.00 54.79 52.99 1hqk n ASP 47 Cb 0.18 -0.42 -0.08 0.00 -0.02 0.00 0.00 41.12 40.78 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 -1.51 5.29 -0.21 0.53 1.01 -0.42 -1.75 121.20 124.14 1hqk s ILE 48 Ca 0.36 0.14 -0.05 0.00 0.00 0.00 0.00 60.65 61.09 1hqk s ILE 48 Cb 0.21 -3.36 -0.02 0.00 0.01 0.00 0.00 42.46 39.30 1hqk s ILE 48 CO 0.21 0.52 0.01 -0.89 0.00 0.00 0.00 174.94 174.79 1hqk s THR 49 N -0.22 4.00 -0.21 2.92 2.01 0.44 -4.98 115.64 119.60 1hqk s THR 49 Ca 0.10 -0.29 -0.05 0.00 0.31 0.00 0.00 61.69 61.76 1hqk s THR 49 Cb -0.12 -2.82 -0.02 0.00 0.01 0.00 0.00 72.50 69.55 1hqk s THR 49 CO 0.01 0.41 0.01 -0.22 -0.69 0.00 0.00 174.62 174.13 1hqk s LEU 50 N 1.15 3.27 -0.16 4.42 2.96 -1.26 -0.09 118.68 128.97 1hqk s LEU 50 Ca 0.03 -0.21 -0.01 0.00 -0.22 0.00 0.00 54.13 53.72 1hqk s LEU 50 Cb -0.14 -1.83 -0.01 0.00 0.50 0.00 0.00 46.19 44.70 1hqk s LEU 50 CO 0.02 0.05 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.28 1hqk s VAL 51 N 1.09 2.92 -0.12 1.68 1.01 0.24 -4.96 120.40 122.26 1hqk s VAL 51 Ca 0.03 -0.68 -0.08 0.00 0.00 0.00 0.00 61.98 61.24 1hqk s VAL 51 Cb -0.14 -2.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.94 1hqk s VAL 51 CO 0.02 0.50 0.16 -0.13 0.00 0.00 0.00 175.10 175.65 1hqk s ARG 52 N 0.80 3.56 0.24 2.72 0.52 -1.26 -0.76 118.95 124.76 1hqk s ARG 52 Ca -0.05 -0.10 0.02 0.00 -0.52 0.00 0.00 55.73 55.09 1hqk s ARG 52 Cb -0.15 -3.22 -0.05 0.00 0.52 0.00 0.00 34.95 32.05 1hqk s ARG 52 CO 0.01 0.72 0.05 0.14 0.02 0.00 0.00 175.30 176.24 1hqk s VAL 53 N -0.88 0.77 -0.01 3.52 -7.23 -0.88 -4.94 120.40 110.76 1hqk s VAL 53 Ca 0.15 -2.00 -0.22 0.00 -1.81 0.00 0.00 61.98 58.10 1hqk s VAL 53 Cb -0.12 -2.48 -0.21 0.00 0.56 0.00 0.00 36.38 34.13 1hqk s VAL 53 CO 0.04 -0.17 1.15 1.55 -0.31 0.00 0.00 175.10 177.35 1hqk h PRO 54 N 2.44 0.31 -4.45 4.82 0.13 -1.94 0.26 132.00 133.56 1hqk h PRO 54 Ca -0.38 -0.27 -0.25 0.00 -0.87 0.00 0.00 66.00 64.23 1hqk h PRO 54 Cb 1.23 0.06 -0.13 0.00 0.13 0.00 0.00 31.00 32.29 1hqk h PRO 54 CO 0.63 0.93 -0.49 0.20 -0.23 0.00 0.00 178.00 179.04 1hqk s GLY 55 N -3.82 1.44 0.38 1.56 0.00 -1.26 -1.69 107.32 103.92 1hqk s GLY 55 Ca -0.14 -1.61 0.05 0.00 0.00 0.00 0.00 44.72 43.01 1hqk s GLY 55 CO 0.77 -1.26 2.03 1.76 0.00 0.00 0.00 173.10 176.41 1hqk h SER 56 N 2.45 0.59 -1.00 1.64 0.02 -1.92 -2.06 113.55 113.27 1hqk h SER 56 Ca -0.32 -0.02 0.21 0.00 -0.84 0.00 0.00 61.79 60.82 1hqk h SER 56 Cb 1.25 -0.15 -0.11 0.00 0.14 0.00 0.00 62.40 63.53 1hqk h SER 56 CO 0.47 0.43 0.61 -0.25 -1.14 0.00 0.00 176.83 176.95 1hqk h TRP 57 N 0.70 1.00 -0.00 3.45 2.91 -1.96 -0.94 115.95 121.10 1hqk h TRP 57 Ca 0.19 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.24 1hqk h TRP 57 Cb -0.07 -0.30 0.00 0.00 -0.51 0.00 0.00 29.16 28.28 1hqk h TRP 57 CO 0.00 0.19 -0.13 0.39 -1.03 0.00 0.00 178.44 177.86 1hqk n GLU 58 N -4.76 0.71 -0.07 2.65 4.71 -0.78 -4.28 120.64 118.82 1hqk n GLU 58 Ca 0.24 -0.28 -0.07 0.00 -0.01 0.00 0.00 57.16 57.04 1hqk n GLU 58 Cb 0.63 -1.49 -0.01 0.00 -1.01 0.00 0.00 31.44 29.56 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 0.67 0.82 -0.20 -3.67 2.04 -1.14 -3.10 117.51 112.93 1hqk h ILE 59 Ca 0.00 -0.03 0.03 0.00 1.00 0.00 0.00 64.86 65.85 1hqk h ILE 59 Cb 0.38 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 1hqk h ILE 59 CO 0.00 0.02 0.02 -0.65 0.00 0.00 0.00 178.15 177.54 1hqk h PRO 60 N 0.10 0.09 -0.33 2.37 0.11 -1.76 0.10 132.00 132.69 1hqk h PRO 60 Ca 0.13 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 66.15 1hqk h PRO 60 Cb 0.16 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.23 1hqk h PRO 60 CO -0.20 0.06 -0.16 -0.24 -0.21 0.00 0.00 178.00 177.25 1hqk h VAL 61 N 0.10 1.25 -0.29 3.15 3.04 -1.84 0.76 116.25 122.43 1hqk h VAL 61 Ca 0.09 -1.16 -0.17 0.00 -1.01 0.00 0.00 66.70 64.46 1hqk h VAL 61 Cb 0.10 1.18 -0.00 0.00 -2.01 0.00 0.00 31.29 30.55 1hqk h VAL 61 CO -0.14 0.38 -0.48 0.00 -1.01 0.00 0.00 177.57 176.32 1hqk h ALA 62 N 1.29 0.61 -0.40 3.17 0.00 -1.43 -3.02 119.26 119.47 1hqk h ALA 62 Ca 0.09 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 1hqk h ALA 62 Cb 0.59 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1hqk h ALA 62 CO 0.04 0.68 0.17 0.00 0.00 0.00 0.00 179.25 180.14 1hqk h ALA 63 N 0.84 1.54 -0.56 0.00 0.00 -0.04 -1.97 119.26 119.08 1hqk h ALA 63 Ca 0.03 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1hqk h ALA 63 Cb 1.06 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 1hqk h ALA 63 CO 0.10 0.36 0.20 0.78 0.00 0.00 0.00 179.25 180.70 1hqk h GLY 64 N 0.71 0.88 0.85 0.00 0.00 -0.79 0.15 103.07 104.88 1hqk h GLY 64 Ca 0.14 -0.46 -0.09 0.00 0.00 0.00 0.00 47.33 46.93 1hqk h GLY 64 CO -0.02 0.43 -0.20 0.83 0.00 0.00 0.00 176.54 177.58 1hqk h GLU 65 N 0.81 0.52 -0.58 4.80 4.39 -1.28 -2.97 114.58 120.26 1hqk h GLU 65 Ca 0.19 -0.27 -0.09 0.00 0.34 0.00 0.00 59.36 59.52 1hqk h GLU 65 Cb 0.19 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 1hqk h GLU 65 CO -0.01 0.85 -0.01 -0.07 -1.16 0.00 0.00 179.01 178.61 1hqk h LEU 66 N 0.21 1.00 -1.13 1.33 3.38 -1.18 -2.91 115.31 116.00 1hqk h LEU 66 Ca 0.04 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1hqk h LEU 66 Cb 0.75 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1hqk h LEU 66 CO 0.05 1.06 0.00 0.00 0.09 0.00 0.00 178.44 179.64 1hqk h ALA 67 N 1.04 1.00 0.00 1.53 0.00 -0.77 -2.18 119.26 119.89 1hqk h ALA 67 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1hqk h ALA 67 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1hqk h ALA 67 CO 0.03 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.82 1hqk n ARG 68 N -2.99 0.13 -1.97 0.00 1.74 -1.10 -4.79 116.66 107.67 1hqk n ARG 68 Ca 0.01 0.11 -0.42 0.00 -0.77 0.00 0.00 57.85 56.79 1hqk n ARG 68 Cb 0.34 -1.65 -0.03 0.00 -1.02 0.00 0.00 32.46 30.09 1hqk n ARG 68 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1hqk s LYS 69 N -3.05 4.23 0.45 5.56 1.02 -0.82 -4.91 119.74 122.22 1hqk s LYS 69 Ca 0.12 2.31 0.18 0.00 0.02 0.00 0.00 55.97 58.60 1hqk s LYS 69 Cb 0.15 -3.23 1.07 0.00 -0.52 0.00 0.00 37.83 35.31 1hqk s LYS 69 CO 0.56 -0.60 1.97 1.49 -0.92 0.00 0.00 175.35 177.85 1hqk h GLU 70 N 7.01 0.00 -0.67 1.68 4.22 -1.89 -2.49 114.58 122.44 1hqk h GLU 70 Ca -0.42 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.02 1hqk h GLU 70 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1hqk h GLU 70 CO 0.91 0.21 0.00 -0.40 -2.18 0.00 0.00 179.01 177.55 1hqk n ASP 71 N -4.03 4.52 -4.30 1.04 5.75 -1.26 -4.80 116.55 113.46 1hqk n ASP 71 Ca -0.02 -2.66 -0.34 0.00 -0.01 0.00 0.00 54.79 51.76 1hqk n ASP 71 Cb 0.29 -0.62 -0.14 0.00 -1.03 0.00 0.00 41.12 39.61 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 -2.27 3.02 -0.04 2.12 -1.09 -0.94 -4.78 121.20 117.23 1hqk s ILE 72 Ca 0.41 -0.64 0.13 0.00 -2.23 0.00 0.00 60.65 58.32 1hqk s ILE 72 Cb 0.31 -2.32 -0.19 0.00 -1.58 0.00 0.00 42.46 38.68 1hqk s ILE 72 CO 0.13 0.48 0.85 0.44 -1.23 0.00 0.00 174.94 175.62 1hqk h ASP 73 N 7.48 0.00 -5.01 3.58 3.32 -0.85 -3.47 116.42 121.47 1hqk h ASP 73 Ca -0.35 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.66 1hqk h ASP 73 Cb 1.18 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.59 1hqk h ASP 73 CO 0.59 0.88 0.15 0.00 -1.72 0.00 0.00 179.24 179.13 1hqk s ALA 74 N -2.71 -1.50 -0.04 3.45 0.00 -1.20 -4.49 121.76 115.26 1hqk s ALA 74 Ca -0.03 0.55 0.05 0.00 0.00 0.00 0.00 51.96 52.54 1hqk s ALA 74 Cb 0.08 0.67 -0.02 0.00 0.00 0.00 0.00 23.12 23.86 1hqk s ALA 74 CO 0.82 -0.66 -0.20 0.08 0.00 0.00 0.00 175.76 175.80 1hqk s VAL 75 N -3.23 2.58 -0.24 0.00 1.01 -0.74 -1.59 120.40 118.18 1hqk s VAL 75 Ca -0.01 -0.90 -0.05 0.00 0.00 0.00 0.00 61.98 61.02 1hqk s VAL 75 Cb -0.00 -1.97 -0.00 0.00 0.00 0.00 0.00 36.38 34.40 1hqk s VAL 75 CO -0.08 0.58 -0.00 -0.63 0.00 0.00 0.00 175.10 174.97 1hqk s ILE 76 N -0.57 3.57 -0.16 2.22 1.01 0.94 -0.56 121.20 127.65 1hqk s ILE 76 Ca 0.08 -0.55 -0.14 0.00 0.00 0.00 0.00 60.65 60.05 1hqk s ILE 76 Cb -0.11 -2.70 -0.05 0.00 0.01 0.00 0.00 42.46 39.61 1hqk s ILE 76 CO 0.01 0.32 0.29 0.00 0.00 0.00 0.00 174.94 175.55 1hqk s ALA 77 N 1.49 3.59 -0.08 9.38 0.00 -0.70 -1.54 121.76 133.88 1hqk s ALA 77 Ca 0.05 -0.46 0.00 0.00 0.00 0.00 0.00 51.96 51.55 1hqk s ALA 77 Cb -0.15 -2.39 0.02 0.00 0.00 0.00 0.00 23.12 20.60 1hqk s ALA 77 CO -0.01 0.08 -0.06 0.42 0.00 0.00 0.00 175.76 176.19 1hqk s ILE 78 N 0.49 0.82 0.16 0.00 1.01 0.24 0.32 121.20 124.23 1hqk s ILE 78 Ca 0.16 -0.20 -0.24 0.00 0.00 0.00 0.00 60.65 60.37 1hqk s ILE 78 Cb -0.13 -0.85 0.07 0.00 0.01 0.00 0.00 42.46 41.56 1hqk s ILE 78 CO 0.04 0.32 0.99 -0.83 0.00 0.00 0.00 174.94 175.46 1hqk s GLY 79 N 1.46 -0.15 -0.12 6.18 0.00 -1.14 -1.90 107.32 111.66 1hqk s GLY 79 Ca -0.01 0.03 -0.02 0.00 0.00 0.00 0.00 44.72 44.72 1hqk s GLY 79 CO -0.04 0.53 0.00 0.14 0.00 0.00 0.00 173.10 173.74 1hqk s VAL 80 N -2.96 0.51 -0.14 1.40 1.01 -1.26 -0.94 120.40 118.02 1hqk s VAL 80 Ca 0.15 -0.17 -0.03 0.00 0.00 0.00 0.00 61.98 61.93 1hqk s VAL 80 Cb -0.01 -0.77 -0.03 0.00 0.00 0.00 0.00 36.38 35.56 1hqk s VAL 80 CO 0.03 0.11 -0.03 -0.76 0.00 0.00 0.00 175.10 174.44 1hqk s LEU 81 N 1.90 3.31 -0.07 3.92 1.43 0.14 -4.75 118.68 124.56 1hqk s LEU 81 Ca 0.03 -0.07 0.03 0.00 -1.03 0.00 0.00 54.13 53.09 1hqk s LEU 81 Cb -0.14 -1.78 0.01 0.00 0.03 0.00 0.00 46.19 44.31 1hqk s LEU 81 CO -0.07 0.22 -0.14 -0.63 0.23 0.00 0.00 176.35 175.96 1hqk s ILE 82 N 0.05 1.31 0.26 -0.59 1.01 -1.26 -0.75 121.20 121.22 1hqk s ILE 82 Ca 0.00 -0.58 -0.30 0.00 0.00 0.00 0.00 60.65 59.77 1hqk s ILE 82 Cb -0.13 -1.18 -0.10 0.00 0.01 0.00 0.00 42.46 41.06 1hqk s ILE 82 CO 0.03 0.39 1.44 -0.60 0.00 0.00 0.00 174.94 176.20 1hqk s ARG 83 N 0.59 4.26 0.00 2.79 3.52 -0.50 -4.94 118.95 124.67 1hqk s ARG 83 Ca -0.15 2.31 0.00 0.00 -0.13 0.00 0.00 55.73 57.76 1hqk s ARG 83 Cb -0.16 -3.10 0.00 0.00 -1.56 0.00 0.00 34.95 30.13 1hqk s ARG 83 CO 0.05 -0.42 0.00 0.41 -0.81 0.00 0.00 175.30 174.53 1hqk n GLY 84 N 2.06 1.93 0.11 8.12 0.00 -1.26 -4.83 105.19 111.32 1hqk n GLY 84 Ca 0.06 -1.94 -0.01 0.00 0.00 0.00 0.00 46.02 44.14 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 -0.99 0.60 -6.25 4.61 0.00 -2.01 -3.46 119.26 111.76 1hqk h ALA 85 Ca 0.00 -0.68 -0.53 0.00 0.00 0.00 0.00 54.91 53.69 1hqk h ALA 85 Cb 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1hqk h ALA 85 CO 0.00 0.87 -0.17 0.25 0.00 0.00 0.00 179.25 180.20 1hqk n THR 86 N -3.18 0.00 1.81 0.00 -2.24 -1.26 -5.00 114.28 104.41 1hqk n THR 86 Ca -0.02 -2.07 0.07 0.00 -2.27 0.00 0.00 64.05 59.76 1hqk n THR 86 Cb 0.82 -0.27 0.39 0.00 -2.10 0.00 0.00 70.33 69.16 1hqk n THR 86 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1hqk n PRO 87 N -2.04 0.91 -0.24 -0.78 -0.04 -1.26 -4.16 135.00 127.38 1hqk n PRO 87 Ca 0.07 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.57 1hqk n PRO 87 Cb 0.62 -1.22 0.13 0.00 -0.04 0.00 0.00 33.50 32.98 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 -0.13 -0.71 0.54 2.76 -1.95 -1.58 115.15 114.08 1hqk h HIS 88 Ca 0.00 0.06 0.12 0.00 -2.20 0.00 0.00 60.37 58.34 1hqk h HIS 88 Cb 0.00 0.17 -0.08 0.00 1.55 0.00 0.00 27.41 29.05 1hqk h HIS 88 CO 0.00 -0.25 0.30 0.35 -1.30 0.00 0.00 177.93 177.03 1hqk h PHE 89 N 0.08 0.52 -0.25 5.26 3.57 -1.93 -1.58 116.94 122.61 1hqk h PHE 89 Ca 0.38 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.96 1hqk h PHE 89 Cb 0.65 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 39.22 1hqk h PHE 89 CO -0.45 0.12 -0.00 -0.44 -2.23 0.00 0.00 178.31 175.31 1hqk h ASP 90 N 0.48 -0.10 -0.42 0.41 3.45 -1.60 0.51 116.42 119.15 1hqk h ASP 90 Ca 0.37 0.06 -0.09 0.00 0.43 0.00 0.00 57.03 57.81 1hqk h ASP 90 Cb 0.50 0.10 -0.01 0.00 -0.56 0.00 0.00 39.33 39.36 1hqk h ASP 90 CO -0.35 -0.02 -0.07 1.88 -1.57 0.00 0.00 179.24 179.12 1hqk h TYR 91 N 0.08 0.88 -0.04 4.55 0.05 -1.35 -0.62 116.97 120.51 1hqk h TYR 91 Ca 0.12 -0.18 -0.00 0.00 0.05 0.00 0.00 58.73 58.72 1hqk h TYR 91 Cb 0.15 -0.22 -0.00 0.00 1.01 0.00 0.00 36.73 37.67 1hqk h TYR 91 CO -0.20 0.89 0.01 0.82 -1.05 0.00 0.00 178.16 178.63 1hqk h ILE 92 N 0.61 1.21 -0.73 -2.88 1.08 -1.16 -2.01 117.51 113.63 1hqk h ILE 92 Ca 0.11 -0.63 0.00 0.00 -0.39 0.00 0.00 64.86 63.95 1hqk h ILE 92 Cb 0.59 1.56 -0.04 0.00 -3.07 0.00 0.00 36.82 35.86 1hqk h ILE 92 CO 0.04 0.17 0.46 0.00 -0.69 0.00 0.00 178.15 178.13 1hqk h ALA 93 N 0.76 1.44 -0.34 1.87 0.00 -0.92 -0.49 119.26 121.59 1hqk h ALA 93 Ca 0.01 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1hqk h ALA 93 Cb 0.27 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1hqk h ALA 93 CO 0.00 0.50 0.07 1.03 0.00 0.00 0.00 179.25 180.85 1hqk h SER 94 N 1.00 0.52 1.05 0.00 0.87 -1.02 -2.36 113.55 113.61 1hqk h SER 94 Ca 0.27 -0.25 -0.18 0.00 -1.23 0.00 0.00 61.79 60.39 1hqk h SER 94 Cb -0.08 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 61.71 1hqk h SER 94 CO -0.05 0.64 -0.88 -0.33 -0.53 0.00 0.00 176.83 175.67 1hqk h GLU 95 N 0.39 0.00 -0.34 2.24 4.39 -0.91 -0.76 114.58 119.59 1hqk h GLU 95 Ca 0.10 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.72 1hqk h GLU 95 Cb 0.33 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 1hqk h GLU 95 CO 0.00 0.88 -0.12 0.28 -1.16 0.00 0.00 179.01 178.90 1hqk h VAL 96 N 0.00 1.28 -0.19 3.13 2.07 -1.10 0.26 116.25 121.71 1hqk h VAL 96 Ca -0.01 -1.20 -0.05 0.00 0.82 0.00 0.00 66.70 66.25 1hqk h VAL 96 Cb 1.64 1.36 -0.00 0.00 -1.52 0.00 0.00 31.29 32.77 1hqk h VAL 96 CO 0.11 0.39 -0.09 0.77 0.02 0.00 0.00 177.57 178.77 1hqk h SER 97 N 0.46 0.40 -0.55 0.57 4.64 -1.41 -2.05 113.55 115.60 1hqk h SER 97 Ca 0.08 -0.41 0.04 0.00 -0.47 0.00 0.00 61.79 61.03 1hqk h SER 97 Cb 0.64 -0.11 -0.05 0.00 -0.31 0.00 0.00 62.40 62.57 1hqk h SER 97 CO 0.04 0.73 0.30 0.50 -0.87 0.00 0.00 176.83 177.52 1hqk h LYS 98 N 0.08 0.55 -0.36 4.77 3.11 -1.12 -1.68 116.57 121.92 1hqk h LYS 98 Ca 0.04 -0.03 -0.15 0.00 -2.81 0.00 0.00 60.65 57.70 1hqk h LYS 98 Cb 0.58 -0.12 -0.01 0.00 -1.00 0.00 0.00 32.23 31.67 1hqk h LYS 98 CO 0.03 0.37 -0.37 0.78 -2.81 0.00 0.00 179.45 177.44 1hqk h GLY 99 N 0.57 0.92 1.12 5.01 0.00 -0.85 -0.75 103.07 109.08 1hqk h GLY 99 Ca 0.24 -0.92 -0.10 0.00 0.00 0.00 0.00 47.33 46.55 1hqk h GLY 99 CO -0.15 0.83 -0.04 1.41 0.00 0.00 0.00 176.54 178.59 1hqk h LEU 100 N 0.69 1.03 -0.49 3.11 3.38 -1.26 -0.65 115.31 121.12 1hqk h LEU 100 Ca 0.06 -0.31 -0.07 0.00 0.09 0.00 0.00 57.88 57.65 1hqk h LEU 100 Cb 0.94 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 1hqk h LEU 100 CO 0.09 1.10 0.04 0.00 0.09 0.00 0.00 178.44 179.76 1hqk h ALA 101 N 0.99 0.66 -0.51 1.53 0.00 -1.12 -1.54 119.26 119.28 1hqk h ALA 101 Ca 0.16 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1hqk h ALA 101 Cb 0.60 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1hqk h ALA 101 CO 0.04 0.43 0.14 -0.91 0.00 0.00 0.00 179.25 178.95 1hqk h ASN 102 N 0.71 0.76 -0.73 0.00 2.35 -1.01 -2.67 115.58 114.99 1hqk h ASN 102 Ca 0.15 -0.22 -0.05 0.00 -0.55 0.00 0.00 56.30 55.62 1hqk h ASN 102 Cb 0.46 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.60 1hqk h ASN 102 CO 0.02 0.78 0.26 -0.07 -1.65 0.00 0.00 177.43 176.77 1hqk h LEU 103 N 0.70 1.03 -0.73 1.61 3.38 -0.92 0.97 115.31 121.35 1hqk h LEU 103 Ca 0.16 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 57.96 1hqk h LEU 103 Cb 0.31 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 1hqk h LEU 103 CO -0.00 0.95 0.47 -1.28 0.09 0.00 0.00 178.44 178.66 1hqk h SER 104 N 1.06 0.78 -0.21 -0.43 0.87 -1.07 0.44 113.55 114.98 1hqk h SER 104 Ca 0.24 -0.01 -0.09 0.00 -1.23 0.00 0.00 61.79 60.70 1hqk h SER 104 Cb 0.26 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 62.04 1hqk h SER 104 CO -0.01 0.55 -0.20 -0.07 -0.53 0.00 0.00 176.83 176.56 1hqk h LEU 105 N 0.93 0.55 -0.51 2.23 3.38 -1.13 0.44 115.31 121.19 1hqk h LEU 105 Ca 0.28 -0.47 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 1hqk h LEU 105 Cb -0.03 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1hqk h LEU 105 CO -0.09 0.90 0.32 -0.08 0.09 0.00 0.00 178.44 179.58 1hqk h GLU 106 N 0.20 0.69 -0.01 1.13 4.81 -0.57 -2.99 114.58 117.83 1hqk h GLU 106 Ca 0.04 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1hqk h GLU 106 Cb 0.75 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.98 1hqk h GLU 106 CO 0.05 0.49 -0.17 1.28 -0.73 0.00 0.00 179.01 179.92 1hqk n LEU 107 N -4.70 1.22 -3.74 1.64 4.77 0.12 -4.96 117.00 111.36 1hqk n LEU 107 Ca 0.03 -0.36 -0.27 0.00 -0.03 0.00 0.00 56.01 55.38 1hqk n LEU 107 Cb 0.04 -0.08 0.03 0.00 -2.33 0.00 0.00 43.42 41.08 1hqk n LEU 107 CO 0.35 0.22 -0.11 0.54 -1.33 0.00 0.00 177.39 177.06 1hqk n ARG 108 N -0.35 -2.56 -3.74 3.23 1.74 0.09 -4.98 116.66 110.10 1hqk n ARG 108 Ca 0.14 0.49 -0.13 0.00 -0.77 0.00 0.00 57.85 57.59 1hqk n ARG 108 Cb 0.36 -4.51 -0.11 0.00 -1.02 0.00 0.00 32.46 27.18 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 -6.07 0.38 0.16 5.56 2.20 -0.89 -5.05 119.74 116.03 1hqk s LYS 109 Ca 0.25 0.53 -0.31 0.00 -0.36 0.00 0.00 55.97 56.08 1hqk s LYS 109 Cb -0.09 0.13 -0.11 0.00 -1.51 0.00 0.00 37.83 36.26 1hqk s LYS 109 CO 0.85 -0.08 1.71 -2.14 -0.36 0.00 0.00 175.35 175.34 1hqk s PRO 110 N 0.47 4.16 -0.15 4.03 0.02 -1.26 -4.49 135.00 137.77 1hqk s PRO 110 Ca -0.02 2.52 -0.00 0.00 0.02 0.00 0.00 61.00 63.51 1hqk s PRO 110 Cb -0.04 -3.29 0.03 0.00 0.02 0.00 0.00 34.50 31.22 1hqk s PRO 110 CO -0.02 -0.74 -0.08 0.42 -0.33 0.00 0.00 177.00 176.24 1hqk s ILE 111 N 1.77 1.20 0.17 2.83 1.01 -1.26 -1.79 121.20 125.13 1hqk s ILE 111 Ca 0.75 -0.53 0.02 0.00 0.00 0.00 0.00 60.65 60.89 1hqk s ILE 111 Cb -0.46 -1.27 -0.04 0.00 0.01 0.00 0.00 42.46 40.71 1hqk s ILE 111 CO 0.33 0.28 0.32 0.42 0.00 0.00 0.00 174.94 176.29 1hqk s THR 112 N 1.62 5.29 -0.77 2.92 -4.23 0.27 -4.95 115.64 115.79 1hqk s THR 112 Ca 0.03 -0.61 -0.08 0.00 -1.18 0.00 0.00 61.69 59.85 1hqk s THR 112 Cb -0.14 -3.75 0.20 0.00 1.34 0.00 0.00 72.50 70.15 1hqk s THR 112 CO -0.08 -0.13 0.66 0.12 -0.54 0.00 0.00 174.62 174.64 1hqk s PHE 113 N -1.80 3.65 -0.62 3.99 5.36 -1.26 -1.73 117.98 125.58 1hqk s PHE 113 Ca 0.36 -2.42 -0.02 0.00 -0.96 0.00 0.00 56.93 53.89 1hqk s PHE 113 Cb -0.11 -3.52 0.40 0.00 -0.34 0.00 0.00 43.02 39.45 1hqk s PHE 113 CO 0.29 -0.90 2.05 0.41 -1.46 0.00 0.00 175.22 175.60 1hqk n GLY 114 N 3.55 5.54 3.36 13.12 0.00 0.15 -4.82 105.19 126.08 1hqk n GLY 114 Ca 0.13 -2.12 -0.38 0.00 0.00 0.00 0.00 46.02 43.65 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 -4.39 4.08 0.20 1.61 1.01 -1.24 -2.86 120.40 118.82 1hqk s VAL 115 Ca 0.58 -0.69 -0.30 0.00 0.00 0.00 0.00 61.98 61.57 1hqk s VAL 115 Cb 0.46 -3.13 -0.08 0.00 0.00 0.00 0.00 36.38 33.63 1hqk s VAL 115 CO -0.04 0.04 1.13 -0.63 0.00 0.00 0.00 175.10 175.59 1hqk s ILE 116 N 1.51 3.70 -0.49 2.22 1.01 -0.12 -4.92 121.20 124.12 1hqk s ILE 116 Ca 0.03 1.51 0.03 0.00 0.00 0.00 0.00 60.65 62.21 1hqk s ILE 116 Cb -0.17 -3.96 0.15 0.00 0.01 0.00 0.00 42.46 38.48 1hqk s ILE 116 CO 0.03 0.28 0.31 0.42 0.00 0.00 0.00 174.94 175.98 1hqk s THR 117 N -0.41 1.50 0.03 2.92 -4.23 -1.26 -0.68 115.64 113.51 1hqk s THR 117 Ca 0.49 -2.91 0.02 0.00 -1.18 0.00 0.00 61.69 58.11 1hqk s THR 117 Cb -0.31 -2.03 -0.04 0.00 1.34 0.00 0.00 72.50 71.47 1hqk s THR 117 CO 0.37 -0.98 0.02 0.00 -0.54 0.00 0.00 174.62 173.49 1hqk s ALA 118 N -0.06 3.36 0.17 3.99 0.00 0.07 -5.00 121.76 124.29 1hqk s ALA 118 Ca 0.22 -0.99 0.09 0.00 0.00 0.00 0.00 51.96 51.28 1hqk s ALA 118 Cb -0.15 -1.35 0.07 0.00 0.00 0.00 0.00 23.12 21.69 1hqk s ALA 118 CO -0.07 0.68 1.44 -0.44 0.00 0.00 0.00 175.76 177.38 1hqk h ASP 119 N 3.92 0.00 -4.14 0.00 3.32 -1.93 -1.33 116.42 116.26 1hqk h ASP 119 Ca -0.48 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.26 1hqk h ASP 119 Cb 1.17 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.57 1hqk h ASP 119 CO 0.60 0.79 -0.71 0.42 -1.72 0.00 0.00 179.24 178.62 1hqk s THR 120 N -3.12 1.05 0.22 0.35 -4.23 -1.26 -3.95 115.64 104.69 1hqk s THR 120 Ca 0.00 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.43 1hqk s THR 120 Cb 0.11 -1.77 0.17 0.00 1.34 0.00 0.00 72.50 72.35 1hqk s THR 120 CO 0.79 -0.76 1.82 0.25 -0.54 0.00 0.00 174.62 176.18 1hqk h LEU 121 N 2.89 1.05 -0.63 4.79 5.85 -1.92 -2.47 115.31 124.87 1hqk h LEU 121 Ca -0.36 -0.12 0.07 0.00 0.84 0.00 0.00 57.88 58.31 1hqk h LEU 121 Cb 1.18 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 41.89 1hqk h LEU 121 CO 0.63 0.87 0.31 -0.08 -0.34 0.00 0.00 178.44 179.83 1hqk h GLU 122 N 1.15 0.55 -0.55 1.25 4.81 -1.99 -0.01 114.58 119.80 1hqk h GLU 122 Ca 0.28 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.44 1hqk h GLU 122 Cb 0.08 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.31 1hqk h GLU 122 CO -0.04 0.36 0.17 1.96 -0.73 0.00 0.00 179.01 180.74 1hqk h GLN 123 N 0.57 0.81 -0.49 1.92 4.20 -1.88 -0.59 115.11 119.64 1hqk h GLN 123 Ca 0.29 -0.14 -0.09 0.00 0.06 0.00 0.00 58.65 58.77 1hqk h GLN 123 Cb 0.25 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 1hqk h GLN 123 CO -0.22 0.70 -0.03 0.00 -0.67 0.00 0.00 178.83 178.61 1hqk h ALA 124 N 1.40 0.67 -0.65 3.87 0.00 -0.96 -2.55 119.26 121.04 1hqk h ALA 124 Ca 0.18 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1hqk h ALA 124 Cb 0.22 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1hqk h ALA 124 CO -0.01 0.50 0.25 0.82 0.00 0.00 0.00 179.25 180.81 1hqk h ILE 125 N 0.75 1.24 -1.00 0.00 2.04 -0.48 -2.10 117.51 117.95 1hqk h ILE 125 Ca 0.14 -0.76 0.18 0.00 1.00 0.00 0.00 64.86 65.42 1hqk h ILE 125 Cb 0.56 0.53 -0.10 0.00 -0.74 0.00 0.00 36.82 37.06 1hqk h ILE 125 CO 0.03 0.30 0.62 -0.33 0.00 0.00 0.00 178.15 178.77 1hqk h GLU 126 N 0.91 0.76 -0.38 2.37 5.08 -1.00 -2.70 114.58 119.63 1hqk h GLU 126 Ca 0.21 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1hqk h GLU 126 Cb 0.22 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1hqk h GLU 126 CO -0.02 0.50 0.00 0.54 -1.00 0.00 0.00 179.01 179.04 1hqk n ARG 127 N -4.74 2.31 -2.26 2.33 1.74 -0.84 -0.28 116.66 114.91 1hqk n ARG 127 Ca 0.23 -1.99 -0.28 0.00 -0.77 0.00 0.00 57.85 55.03 1hqk n ARG 127 Cb 0.55 -1.48 0.01 0.00 -1.02 0.00 0.00 32.46 30.53 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 1.19 5.29 0.00 7.54 0.00 -0.89 -1.73 120.51 131.91 1hqk n ALA 128 Ca 0.19 -4.15 0.00 0.00 0.00 0.00 0.00 53.44 49.48 1hqk n ALA 128 Cb 0.53 -0.72 0.00 0.00 0.00 0.00 0.00 19.45 19.26 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 1.38 0.00 0.00 0.00 0.70 -4.70 105.19 102.01 1hqk n GLY 129 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.45 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 -1.62 0.00 0.45 2.61 -2.24 -1.12 -4.93 114.28 107.43 1hqk n THR 130 Ca 0.00 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.91 1hqk n THR 130 Cb 0.00 0.00 0.39 0.00 -2.10 0.00 0.00 70.33 68.62 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 -0.53 -0.78 2.10 -1.79 -1.23 116.57 114.34 1hqk h LYS 131 Ca 0.00 0.00 -0.22 0.00 -2.00 0.00 0.00 60.65 58.43 1hqk h LYS 131 Cb 0.00 0.00 -0.13 0.00 -0.90 0.00 0.00 32.23 31.20 1hqk h LYS 131 CO 0.00 0.00 0.14 0.72 -2.00 0.00 0.00 179.45 178.31 1hqk n HIS 132 N -2.55 1.70 -2.80 0.07 8.25 0.61 -5.05 115.22 115.44 1hqk n HIS 132 Ca 0.04 -1.46 0.00 0.00 -0.26 0.00 0.00 57.72 56.04 1hqk n HIS 132 Cb 0.41 -0.59 0.00 0.00 1.12 0.00 0.00 29.99 30.93 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 -1.14 2.66 -1.41 0.00 -0.47 -4.67 105.19 99.30 1hqk n GLY 133 Ca 0.38 -1.45 -0.26 0.00 0.00 0.00 0.00 46.02 44.69 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 2.29 0.47 1.61 3.84 -1.26 -0.22 114.94 117.68 1hqk s ASN 134 Ca 0.00 -0.55 0.27 0.00 0.21 0.00 0.00 52.86 52.79 1hqk s ASN 134 Cb 0.00 -0.33 0.95 0.00 -0.55 0.00 0.00 41.25 41.31 1hqk s ASN 134 CO 0.00 -0.32 1.83 0.11 -2.79 0.00 0.00 177.10 175.93 1hqk h LYS 135 N 8.37 0.00 -0.21 0.43 1.79 -1.66 -2.05 116.57 123.24 1hqk h LYS 135 Ca -0.15 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.29 1hqk h LYS 135 Cb 1.14 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.78 1hqk h LYS 135 CO 0.28 0.14 0.05 0.78 -1.08 0.00 0.00 179.45 179.61 1hqk h GLY 136 N 2.39 0.37 0.96 3.86 0.00 -1.82 -1.20 103.07 107.64 1hqk h GLY 136 Ca -0.00 -0.24 0.02 0.00 0.00 0.00 0.00 47.33 47.10 1hqk h GLY 136 CO 0.02 0.22 0.49 -0.25 0.00 0.00 0.00 176.54 177.02 1hqk h TRP 137 N 0.16 0.92 -0.37 5.60 7.01 -1.58 -1.45 115.95 126.24 1hqk h TRP 137 Ca 0.07 0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.05 1hqk h TRP 137 Cb 0.29 -0.31 -0.02 0.00 -2.10 0.00 0.00 29.16 27.03 1hqk h TRP 137 CO 0.01 0.56 0.10 0.93 -2.79 0.00 0.00 178.44 177.26 1hqk h GLU 138 N 0.98 0.60 -0.36 2.65 5.08 -1.36 -0.38 114.58 121.79 1hqk h GLU 138 Ca 0.28 -0.14 -0.05 0.00 -1.00 0.00 0.00 59.36 58.45 1hqk h GLU 138 Cb -0.07 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 1hqk h GLU 138 CO -0.08 0.63 -0.00 0.00 -1.00 0.00 0.00 179.01 178.56 1hqk h ALA 139 N 0.94 1.32 -0.37 3.43 0.00 -1.11 -1.10 119.26 122.38 1hqk h ALA 139 Ca 0.12 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1hqk h ALA 139 Cb 0.29 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1hqk h ALA 139 CO -0.00 0.46 -0.00 0.00 0.00 0.00 0.00 179.25 179.71 1hqk h ALA 140 N 1.46 0.50 -0.79 0.00 0.00 -0.96 -1.39 119.26 118.07 1hqk h ALA 140 Ca 0.12 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1hqk h ALA 140 Cb 0.35 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1hqk h ALA 140 CO 0.01 0.27 0.39 1.25 0.00 0.00 0.00 179.25 181.17 1hqk h LEU 141 N 0.47 1.01 -0.70 0.00 5.85 -0.74 -0.16 115.31 121.05 1hqk h LEU 141 Ca 0.10 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 1hqk h LEU 141 Cb 0.47 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 1hqk h LEU 141 CO 0.02 0.85 0.39 0.28 -0.34 0.00 0.00 178.44 179.64 1hqk h SER 142 N 1.12 0.86 -0.45 1.25 0.02 -1.09 -2.31 113.55 112.95 1hqk h SER 142 Ca 0.27 -0.09 -0.09 0.00 -0.84 0.00 0.00 61.79 61.05 1hqk h SER 142 Cb 0.09 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.40 1hqk h SER 142 CO -0.04 0.70 -0.05 0.00 -1.14 0.00 0.00 176.83 176.30 1hqk h ALA 143 N 1.20 0.96 -0.31 3.77 0.00 -0.64 -1.16 119.26 123.09 1hqk h ALA 143 Ca 0.25 -0.30 0.04 0.00 0.00 0.00 0.00 54.91 54.90 1hqk h ALA 143 Cb 0.02 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 1hqk h ALA 143 CO -0.04 0.62 0.05 0.82 0.00 0.00 0.00 179.25 180.70 1hqk h ILE 144 N 0.81 0.84 -0.23 0.00 2.04 -0.86 0.51 117.51 120.62 1hqk h ILE 144 Ca 0.14 -0.05 -0.01 0.00 1.00 0.00 0.00 64.86 65.94 1hqk h ILE 144 Cb 0.55 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 1hqk h ILE 144 CO 0.03 0.03 0.11 -0.08 0.00 0.00 0.00 178.15 178.24 1hqk h GLU 145 N 0.16 0.34 -0.59 2.37 4.81 -1.24 -1.50 114.58 118.93 1hqk h GLU 145 Ca 0.14 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.22 1hqk h GLU 145 Cb 0.16 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 1hqk h GLU 145 CO -0.20 0.36 -0.01 0.52 -0.73 0.00 0.00 179.01 178.96 1hqk h MET 146 N 0.24 1.05 -0.62 1.92 2.86 -1.04 0.99 114.93 120.32 1hqk h MET 146 Ca 0.08 -0.34 -0.03 0.00 -2.06 0.00 0.00 59.70 57.35 1hqk h MET 146 Cb 0.14 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.68 1hqk h MET 146 CO -0.01 1.03 0.25 0.00 1.06 0.00 0.00 176.91 179.25 1hqk h ALA 147 N 0.98 0.81 -0.50 6.32 0.00 -0.58 0.79 119.26 127.07 1hqk h ALA 147 Ca 0.17 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1hqk h ALA 147 Cb 0.56 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1hqk h ALA 147 CO 0.03 0.42 0.14 -0.91 0.00 0.00 0.00 179.25 178.93 1hqk h ASN 148 N 0.87 0.75 -0.76 0.00 -0.26 -1.10 -2.60 115.58 112.48 1hqk h ASN 148 Ca 0.21 -0.22 0.06 0.00 -0.56 0.00 0.00 56.30 55.79 1hqk h ASN 148 Cb 0.20 -0.20 -0.06 0.00 -1.06 0.00 0.00 38.32 37.20 1hqk h ASN 148 CO -0.02 0.77 0.44 0.25 -1.06 0.00 0.00 177.43 177.82 1hqk h LEU 149 N 0.69 0.68 -1.31 1.61 5.85 -0.40 -2.47 115.31 119.95 1hqk h LEU 149 Ca 0.16 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 1hqk h LEU 149 Cb 0.31 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.22 1hqk h LEU 149 CO -0.00 0.43 -0.06 -0.26 -0.34 0.00 0.00 178.44 178.21 1hqk h PHE 150 N 0.81 0.00 -0.51 1.25 -1.00 -0.67 -0.24 116.94 116.57 1hqk h PHE 150 Ca 0.34 0.00 0.10 0.00 2.81 0.00 0.00 57.97 61.22 1hqk h PHE 150 Cb 0.20 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.73 1hqk h PHE 150 CO -0.06 0.06 0.35 0.87 -1.61 0.00 0.00 178.31 177.92 1hqk h LYS 151 N 0.00 0.24 0.00 1.51 1.57 -1.05 -1.11 116.57 117.73 1hqk h LYS 151 Ca -0.00 -0.01 -0.23 0.00 -1.87 0.00 0.00 60.65 58.54 1hqk h LYS 151 Cb 0.59 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.80 1hqk h LYS 151 CO 0.01 0.16 -2.05 -1.13 -0.57 0.00 0.00 179.45 175.87 1hqk n SER 152 N -4.45 0.98 0.08 0.86 3.41 -0.84 -4.71 113.62 108.95 1hqk n SER 152 Ca 0.08 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.55 1hqk n SER 152 Cb 0.41 1.11 -0.14 0.00 -0.26 0.00 0.00 64.21 65.33 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 0.33 -0.10 1.04 5.85 -0.91 -3.53 115.31 117.98 1hqk h LEU 153 Ca -0.34 -0.37 0.00 0.00 0.84 0.00 0.00 57.88 58.01 1hqk h LEU 153 Cb 1.73 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.65 1hqk h LEU 153 CO 0.02 1.30 0.00 -1.14 -0.34 0.00 0.00 178.44 178.28