#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 4.43 -0.13 2.12 -0.21 -1.26 -5.06 119.66 119.55 1hqk s GLN 2 Ca 0.00 0.85 0.02 0.00 0.02 0.00 0.00 55.36 56.24 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 0.69 1.69 -0.10 1.08 1.01 -1.26 -5.12 121.20 119.19 1hqk s ILE 3 Ca 0.36 -0.74 0.01 0.00 0.00 0.00 0.00 60.65 60.28 1hqk s ILE 3 Cb -0.18 -1.53 -0.02 0.00 0.01 0.00 0.00 42.46 40.74 1hqk s ILE 3 CO 0.18 0.48 -0.14 -0.31 0.00 0.00 0.00 174.94 175.14 1hqk s TYR 4 N 1.05 2.76 0.16 3.97 1.51 -1.26 -5.13 117.35 120.41 1hqk s TYR 4 Ca -0.04 -0.52 -0.14 0.00 -1.01 0.00 0.00 57.07 55.36 1hqk s TYR 4 Cb -0.15 -1.77 0.02 0.00 -0.11 0.00 0.00 41.96 39.96 1hqk s TYR 4 CO -0.04 -0.10 0.40 -1.83 -1.11 0.00 0.00 175.55 172.87 1hqk s GLU 5 N 0.02 1.19 -0.08 -0.62 -1.05 -1.26 -5.11 118.70 111.78 1hqk s GLU 5 Ca -0.05 -0.90 -0.00 0.00 -0.15 0.00 0.00 54.97 53.88 1hqk s GLU 5 Cb -0.14 0.46 -0.03 0.00 -0.44 0.00 0.00 34.13 33.97 1hqk s GLU 5 CO 0.04 -0.47 -0.05 0.20 0.95 0.00 0.00 175.26 175.93 1hqk s GLY 6 N -2.87 1.73 1.01 -3.83 0.00 -1.26 -4.42 107.32 97.68 1hqk s GLY 6 Ca 0.09 -0.87 -0.17 0.00 0.00 0.00 0.00 44.72 43.77 1hqk s GLY 6 CO -0.06 -0.59 1.28 -1.59 0.00 0.00 0.00 173.10 172.14 1hqk s LYS 7 N -0.72 0.24 -0.00 2.90 -2.85 -1.26 -4.87 119.74 113.18 1hqk s LYS 7 Ca 0.11 -0.34 0.09 0.00 -1.00 0.00 0.00 55.97 54.83 1hqk s LYS 7 Cb -0.11 -1.79 0.25 0.00 -2.06 0.00 0.00 37.83 34.11 1hqk s LYS 7 CO 0.02 -2.70 1.21 1.28 0.10 0.00 0.00 175.35 175.26 1hqk n LEU 8 N -3.98 2.75 -4.75 2.77 4.77 -1.26 -4.16 117.00 113.14 1hqk n LEU 8 Ca 0.15 -2.00 -0.40 0.00 -0.03 0.00 0.00 56.01 53.73 1hqk n LEU 8 Cb 0.59 -0.19 -0.05 0.00 -2.33 0.00 0.00 43.42 41.44 1hqk n LEU 8 CO 0.46 0.69 0.57 0.42 -1.33 0.00 0.00 177.39 178.19 1hqk s THR 9 N -1.00 4.38 -0.45 -5.08 -4.23 -1.26 -4.87 115.64 103.13 1hqk s THR 9 Ca 0.19 1.88 0.14 0.00 -1.18 0.00 0.00 61.69 62.72 1hqk s THR 9 Cb 0.10 -4.23 0.41 0.00 1.34 0.00 0.00 72.50 70.12 1hqk s THR 9 CO 0.13 0.44 1.33 0.00 -0.54 0.00 0.00 174.62 175.98 1hqk n ALA 10 N 2.06 2.61 -1.69 3.99 0.00 0.34 -4.97 120.51 122.85 1hqk n ALA 10 Ca -0.02 -1.83 -0.44 0.00 0.00 0.00 0.00 53.44 51.15 1hqk n ALA 10 Cb 0.49 -0.56 -0.04 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 -0.16 2.42 -0.87 0.00 2.13 -1.25 -1.52 120.64 121.39 1hqk n GLU 11 Ca 0.17 0.87 0.00 0.00 0.66 0.00 0.00 57.16 58.86 1hqk n GLU 11 Cb 0.68 -2.67 0.00 0.00 0.27 0.00 0.00 31.44 29.71 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 3.65 1.04 3.86 8.31 0.00 -1.26 -4.99 105.19 115.80 1hqk n GLY 12 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 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 4.09 -0.13 0.99 1.43 -0.57 -5.06 118.68 119.43 1hqk s LEU 13 Ca 0.00 1.18 0.01 0.00 -1.03 0.00 0.00 54.13 54.29 1hqk s LEU 13 Cb 0.00 -3.98 0.02 0.00 0.03 0.00 0.00 46.19 42.26 1hqk s LEU 13 CO 0.00 -0.17 -0.14 -0.13 0.23 0.00 0.00 176.35 176.14 1hqk s ARG 14 N -2.95 2.19 0.05 1.70 0.52 -1.26 -4.57 118.95 114.63 1hqk s ARG 14 Ca 0.52 -0.53 0.07 0.00 -0.52 0.00 0.00 55.73 55.28 1hqk s ARG 14 Cb -0.10 -1.96 -0.03 0.00 0.52 0.00 0.00 34.95 33.37 1hqk s ARG 14 CO 0.18 -0.17 -0.16 -0.06 0.02 0.00 0.00 175.30 175.11 1hqk s PHE 15 N 1.31 2.60 -0.13 -0.53 0.40 -0.54 -0.17 117.98 120.91 1hqk s PHE 15 Ca 0.00 -0.23 -0.05 0.00 -0.60 0.00 0.00 56.93 56.05 1hqk s PHE 15 Cb -0.14 -1.46 -0.04 0.00 0.51 0.00 0.00 43.02 41.90 1hqk s PHE 15 CO -0.07 0.30 0.06 0.20 0.70 0.00 0.00 175.22 176.41 1hqk s GLY 16 N -1.60 1.94 -0.11 4.36 0.00 -0.61 -0.48 107.32 110.83 1hqk s GLY 16 Ca 0.16 -0.74 0.04 0.00 0.00 0.00 0.00 44.72 44.17 1hqk s GLY 16 CO 0.07 -0.26 -0.23 -0.42 0.00 0.00 0.00 173.10 172.26 1hqk s ILE 17 N -0.38 2.02 -0.19 0.90 1.01 0.11 -0.24 121.20 124.42 1hqk s ILE 17 Ca 0.09 -0.99 -0.02 0.00 0.00 0.00 0.00 60.65 59.73 1hqk s ILE 17 Cb -0.12 -1.76 -0.00 0.00 0.01 0.00 0.00 42.46 40.59 1hqk s ILE 17 CO 0.02 0.55 -0.10 -0.69 0.00 0.00 0.00 174.94 174.71 1hqk s VAL 18 N 0.45 2.96 -0.09 2.92 1.01 -0.59 -0.64 120.40 126.41 1hqk s VAL 18 Ca -0.16 -0.65 0.01 0.00 0.00 0.00 0.00 61.98 61.18 1hqk s VAL 18 Cb -0.17 -2.30 0.02 0.00 0.00 0.00 0.00 36.38 33.92 1hqk s VAL 18 CO 0.07 0.48 -0.11 0.00 0.00 0.00 0.00 175.10 175.53 1hqk s ALA 19 N 1.18 1.36 0.75 5.51 0.00 -0.11 -0.52 121.76 129.94 1hqk s ALA 19 Ca 0.02 -0.52 -0.12 0.00 0.00 0.00 0.00 51.96 51.34 1hqk s ALA 19 Cb -0.14 -0.73 0.04 0.00 0.00 0.00 0.00 23.12 22.29 1hqk s ALA 19 CO -0.04 -0.09 1.11 -1.54 0.00 0.00 0.00 175.76 175.20 1hqk s SER 20 N 1.05 4.98 -0.03 0.00 1.04 -0.81 -2.16 113.70 117.78 1hqk s SER 20 Ca -0.07 1.13 0.22 0.00 0.48 0.00 0.00 55.95 57.71 1hqk s SER 20 Cb -0.15 -1.86 -0.31 0.00 0.10 0.00 0.00 66.02 63.80 1hqk s SER 20 CO -0.01 -1.64 0.49 0.54 0.98 0.00 0.00 173.24 173.60 1hqk n ARG 21 N -3.20 0.66 -2.04 4.02 1.74 -0.01 -4.81 116.66 113.03 1hqk n ARG 21 Ca 0.07 -0.17 -0.39 0.00 -0.77 0.00 0.00 57.85 56.59 1hqk n ARG 21 Cb 0.57 -1.54 -0.00 0.00 -1.02 0.00 0.00 32.46 30.47 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 -3.44 2.78 -1.43 -1.55 5.36 -0.62 -1.64 117.98 117.43 1hqk s PHE 22 Ca -0.08 1.41 -0.08 0.00 -0.96 0.00 0.00 56.93 57.21 1hqk s PHE 22 Cb 0.13 -3.68 0.02 0.00 -0.34 0.00 0.00 43.02 39.16 1hqk s PHE 22 CO 0.90 -2.14 0.99 0.09 -1.46 0.00 0.00 175.22 173.59 1hqk n ASN 23 N 0.03 -6.09 0.28 6.13 3.02 -1.26 -4.53 115.26 112.83 1hqk n ASN 23 Ca 0.04 -0.49 0.13 0.00 -0.03 0.00 0.00 54.58 54.23 1hqk n ASN 23 Cb 0.44 -4.84 0.82 0.00 -0.61 0.00 0.00 39.78 35.59 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 -2.24 0.00 0.00 3.10 2.07 -1.62 0.33 115.15 116.78 1hqk h HIS 24 Ca -0.56 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 56.93 1hqk h HIS 24 Cb 1.37 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.34 1hqk h HIS 24 CO 0.52 0.00 -0.15 0.00 -3.07 0.00 0.00 177.93 175.23 1hqk h ALA 25 N 1.99 1.53 0.06 6.11 0.00 -1.90 0.18 119.26 127.23 1hqk h ALA 25 Ca 0.01 -0.14 -0.36 0.00 0.00 0.00 0.00 54.91 54.42 1hqk h ALA 25 Cb 0.03 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 1hqk h ALA 25 CO -0.00 0.19 -2.05 1.28 0.00 0.00 0.00 179.25 178.66 1hqk n LEU 26 N -4.04 2.51 -0.31 0.00 4.77 -0.03 -4.18 117.00 115.72 1hqk n LEU 26 Ca -0.02 0.17 -0.00 0.00 -0.03 0.00 0.00 56.01 56.13 1hqk n LEU 26 Cb 0.23 -1.01 0.13 0.00 -2.33 0.00 0.00 43.42 40.44 1hqk n LEU 26 CO 0.33 0.74 1.20 0.58 -1.33 0.00 0.00 177.39 178.92 1hqk h VAL 27 N -0.26 1.09 0.00 4.08 2.07 -0.95 -0.68 116.25 121.60 1hqk h VAL 27 Ca -0.48 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 66.68 1hqk h VAL 27 Cb 1.82 -0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 31.57 1hqk h VAL 27 CO -0.07 0.19 -0.06 0.44 0.02 0.00 0.00 177.57 178.09 1hqk h ASP 28 N 1.02 0.00 0.40 0.57 3.32 -0.85 -0.19 116.42 120.68 1hqk h ASP 28 Ca 0.36 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 57.21 1hqk h ASP 28 Cb 0.09 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 1hqk h ASP 28 CO -0.15 0.06 -0.82 0.03 -1.72 0.00 0.00 179.24 176.64 1hqk h ARG 29 N 0.00 0.32 -0.57 3.56 2.47 -1.29 -2.15 114.38 116.71 1hqk h ARG 29 Ca -0.00 -0.30 -0.01 0.00 -1.26 0.00 0.00 59.98 58.40 1hqk h ARG 29 Cb 0.13 0.08 -0.03 0.00 -1.65 0.00 0.00 29.97 28.50 1hqk h ARG 29 CO 0.01 0.98 0.30 -0.07 0.56 0.00 0.00 179.97 181.74 1hqk h LEU 30 N 0.20 0.73 -0.54 3.04 3.38 -0.90 -1.12 115.31 120.10 1hqk h LEU 30 Ca -0.04 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 1hqk h LEU 30 Cb 1.42 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.96 1hqk h LEU 30 CO 0.13 0.63 0.32 0.58 0.09 0.00 0.00 178.44 180.19 1hqk h VAL 31 N 0.77 1.16 -0.43 1.22 2.07 -1.10 -0.02 116.25 119.92 1hqk h VAL 31 Ca 0.20 -0.37 0.06 0.00 0.82 0.00 0.00 66.70 67.41 1hqk h VAL 31 Cb 0.07 0.44 -0.05 0.00 -1.52 0.00 0.00 31.29 30.23 1hqk h VAL 31 CO -0.03 0.17 0.14 -0.33 0.02 0.00 0.00 177.57 177.54 1hqk h GLU 32 N 0.72 0.29 -0.34 1.57 5.08 -1.21 -0.94 114.58 119.74 1hqk h GLU 32 Ca 0.19 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1hqk h GLU 32 Cb -0.01 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 1hqk h GLU 32 CO -0.04 0.19 0.20 0.78 -1.00 0.00 0.00 179.01 179.15 1hqk h GLY 33 N 0.30 0.49 1.02 -3.84 0.00 -0.86 -1.47 103.07 98.71 1hqk h GLY 33 Ca 0.21 -0.21 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 1hqk h GLY 33 CO -0.22 0.20 0.43 0.00 0.00 0.00 0.00 176.54 176.95 1hqk h ALA 34 N 1.08 1.01 -0.35 3.60 0.00 -0.39 -1.00 119.26 123.21 1hqk h ALA 34 Ca 0.12 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1hqk h ALA 34 Cb 0.02 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1hqk h ALA 34 CO -0.02 0.52 -0.11 0.82 0.00 0.00 0.00 179.25 180.46 1hqk h ILE 35 N 1.09 1.28 -0.60 0.00 2.04 -1.07 -1.44 117.51 118.81 1hqk h ILE 35 Ca 0.28 -1.19 0.03 0.00 1.00 0.00 0.00 64.86 64.98 1hqk h ILE 35 Cb 0.03 1.32 -0.04 0.00 -0.74 0.00 0.00 36.82 37.39 1hqk h ILE 35 CO -0.04 0.39 0.36 -0.78 0.00 0.00 0.00 178.15 178.08 1hqk h ASP 36 N 0.49 0.58 -0.23 1.72 3.58 -1.16 0.55 116.42 121.95 1hqk h ASP 36 Ca 0.09 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.53 1hqk h ASP 36 Cb 0.63 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.55 1hqk h ASP 36 CO 0.04 0.40 0.09 0.00 -2.88 0.00 0.00 179.24 176.90 1hqk h ILE 38 N 0.23 0.44 -0.55 0.00 2.04 -0.79 -2.47 117.51 116.40 1hqk h ILE 38 Ca 0.08 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.91 1hqk h ILE 38 Cb 0.17 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 36.67 1hqk h ILE 38 CO -0.01 0.00 0.22 0.58 0.00 0.00 0.00 178.15 178.95 1hqk h VAL 39 N -0.61 1.22 -0.00 1.67 2.07 -0.74 -1.08 116.25 118.78 1hqk h VAL 39 Ca -0.02 -0.68 0.00 0.00 0.82 0.00 0.00 66.70 66.81 1hqk h VAL 39 Cb 0.53 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 1hqk h VAL 39 CO -0.01 0.26 -0.02 0.54 0.02 0.00 0.00 177.57 178.35 1hqk n ARG 40 N -4.51 0.60 0.00 1.57 1.74 -0.04 -1.65 116.66 114.38 1hqk n ARG 40 Ca 0.03 -0.06 0.14 0.00 -0.77 0.00 0.00 57.85 57.19 1hqk n ARG 40 Cb 0.16 -1.50 0.51 0.00 -1.02 0.00 0.00 32.46 30.61 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 -1.15 0.00 0.00 -1.55 8.25 -0.93 -4.93 115.22 114.91 1hqk n HIS 41 Ca 0.16 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.62 1hqk n HIS 41 Cb 0.23 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.34 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 1.18 0.69 3.80 -1.41 0.00 -0.66 -0.51 105.19 108.29 1hqk n GLY 42 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.97 2.48 0.07 -0.02 0.00 -0.44 -3.76 107.32 104.68 1hqk s GLY 43 Ca 0.00 0.57 -0.14 0.00 0.00 0.00 0.00 44.72 45.15 1hqk s GLY 43 CO 0.00 0.88 0.46 0.50 0.00 0.00 0.00 173.10 174.94 1hqk s ARG 44 N -3.26 3.91 0.46 2.90 0.52 -1.26 -4.15 118.95 118.07 1hqk s ARG 44 Ca 0.66 0.39 0.15 0.00 -0.52 0.00 0.00 55.73 56.42 1hqk s ARG 44 Cb -0.15 -3.07 1.06 0.00 0.52 0.00 0.00 34.95 33.30 1hqk s ARG 44 CO 0.19 0.59 2.01 1.05 0.02 0.00 0.00 175.30 179.17 1hqk h GLU 45 N 4.07 0.00 0.00 3.54 -0.00 -1.95 -1.72 114.58 118.52 1hqk h GLU 45 Ca -0.50 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 58.86 1hqk h GLU 45 Cb 1.20 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.95 1hqk h GLU 45 CO 0.64 0.16 -0.02 0.93 -0.00 0.00 0.00 179.01 180.72 1hqk h GLU 46 N 0.00 0.00 -0.59 1.06 3.07 -2.00 -1.96 114.58 114.16 1hqk h GLU 46 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1hqk h GLU 46 Cb 0.29 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.20 1hqk h GLU 46 CO 0.02 0.02 0.00 -0.25 -1.40 0.00 0.00 179.01 177.41 1hqk n ASP 47 N -3.25 3.39 -4.72 1.42 8.00 -0.64 -4.83 116.55 115.92 1hqk n ASP 47 Ca -0.02 -2.24 -0.35 0.00 0.71 0.00 0.00 54.79 52.89 1hqk n ASP 47 Cb 0.17 -0.45 -0.08 0.00 -0.02 0.00 0.00 41.12 40.73 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 -1.63 5.03 -0.20 0.53 1.01 -0.74 -1.47 121.20 123.73 1hqk s ILE 48 Ca 0.37 0.05 -0.04 0.00 0.00 0.00 0.00 60.65 61.02 1hqk s ILE 48 Cb 0.22 -3.24 -0.02 0.00 0.01 0.00 0.00 42.46 39.44 1hqk s ILE 48 CO 0.20 0.51 -0.04 -0.89 0.00 0.00 0.00 174.94 174.72 1hqk s THR 49 N -0.10 3.56 -0.24 2.92 2.01 0.37 -4.98 115.64 119.18 1hqk s THR 49 Ca 0.08 -0.45 -0.06 0.00 0.31 0.00 0.00 61.69 61.57 1hqk s THR 49 Cb -0.12 -2.60 -0.02 0.00 0.01 0.00 0.00 72.50 69.77 1hqk s THR 49 CO 0.01 0.44 0.03 -0.22 -0.69 0.00 0.00 174.62 174.19 1hqk s LEU 50 N 1.10 3.27 -0.16 4.42 2.96 -1.26 0.04 118.68 129.04 1hqk s LEU 50 Ca 0.02 -0.26 -0.03 0.00 -0.22 0.00 0.00 54.13 53.63 1hqk s LEU 50 Cb -0.15 -1.86 -0.02 0.00 0.50 0.00 0.00 46.19 44.66 1hqk s LEU 50 CO 0.00 -0.02 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.27 1hqk s VAL 51 N 1.53 3.66 -0.08 1.68 1.01 0.18 -4.96 120.40 123.42 1hqk s VAL 51 Ca 0.06 -0.43 -0.05 0.00 0.00 0.00 0.00 61.98 61.56 1hqk s VAL 51 Cb -0.15 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 1hqk s VAL 51 CO 0.01 0.48 0.12 -0.13 0.00 0.00 0.00 175.10 175.59 1hqk s ARG 52 N 0.59 3.33 0.17 2.72 0.52 -1.26 -0.94 118.95 124.09 1hqk s ARG 52 Ca -0.04 -0.25 0.01 0.00 -0.52 0.00 0.00 55.73 54.94 1hqk s ARG 52 Cb -0.15 -3.08 -0.05 0.00 0.52 0.00 0.00 34.95 32.20 1hqk s ARG 52 CO 0.03 0.73 0.01 0.14 0.02 0.00 0.00 175.30 176.23 1hqk s VAL 53 N -1.10 0.62 -0.03 3.52 -7.23 -0.92 -4.94 120.40 110.32 1hqk s VAL 53 Ca 0.18 -1.97 -0.23 0.00 -1.81 0.00 0.00 61.98 58.15 1hqk s VAL 53 Cb -0.12 -2.13 -0.22 0.00 0.56 0.00 0.00 36.38 34.46 1hqk s VAL 53 CO 0.08 -0.45 1.08 -0.65 -0.31 0.00 0.00 175.10 174.85 1hqk h PRO 54 N 2.70 0.25 -4.82 4.82 0.10 -1.94 0.01 132.00 133.12 1hqk h PRO 54 Ca -0.37 -0.24 -0.38 0.00 0.10 0.00 0.00 66.00 65.12 1hqk h PRO 54 Cb 1.21 0.06 -0.14 0.00 0.10 0.00 0.00 31.00 32.23 1hqk h PRO 54 CO 0.62 0.94 -0.57 0.20 0.10 0.00 0.00 178.00 179.29 1hqk s GLY 55 N -3.89 1.92 0.40 -0.55 0.00 -1.26 -1.59 107.32 102.36 1hqk s GLY 55 Ca -0.15 -1.80 0.08 0.00 0.00 0.00 0.00 44.72 42.86 1hqk s GLY 55 CO 0.76 -1.53 2.01 1.76 0.00 0.00 0.00 173.10 176.10 1hqk h SER 56 N 2.31 0.51 -0.98 1.64 0.02 -1.92 -2.06 113.55 113.07 1hqk h SER 56 Ca -0.33 -0.00 0.20 0.00 -0.84 0.00 0.00 61.79 60.81 1hqk h SER 56 Cb 1.25 -0.11 -0.11 0.00 0.14 0.00 0.00 62.40 63.56 1hqk h SER 56 CO 0.51 0.34 0.58 -0.25 -1.14 0.00 0.00 176.83 176.87 1hqk h TRP 57 N 0.58 1.01 -0.00 3.45 2.91 -1.96 -0.49 115.95 121.45 1hqk h TRP 57 Ca 0.24 0.04 0.00 0.00 1.13 0.00 0.00 58.89 60.29 1hqk h TRP 57 Cb 0.20 -0.30 0.00 0.00 -0.51 0.00 0.00 29.16 28.55 1hqk h TRP 57 CO -0.00 0.18 -0.09 0.39 -1.03 0.00 0.00 178.44 177.89 1hqk n GLU 58 N -4.82 0.85 -0.10 2.65 4.71 -0.78 -4.25 120.64 118.90 1hqk n GLU 58 Ca 0.23 -0.31 -0.09 0.00 -0.01 0.00 0.00 57.16 56.99 1hqk n GLU 58 Cb 0.60 -1.49 -0.01 0.00 -1.01 0.00 0.00 31.44 29.52 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 0.75 1.10 -0.13 -3.67 2.04 -1.06 -3.16 117.51 113.38 1hqk h ILE 59 Ca 0.00 -0.22 0.04 0.00 1.00 0.00 0.00 64.86 65.69 1hqk h ILE 59 Cb 0.34 0.64 -0.05 0.00 -0.74 0.00 0.00 36.82 37.01 1hqk h ILE 59 CO 0.00 0.10 -0.16 -0.65 0.00 0.00 0.00 178.15 177.44 1hqk h PRO 60 N 0.45 -0.19 -0.49 2.37 0.11 -1.76 0.43 132.00 132.92 1hqk h PRO 60 Ca 0.12 0.01 -0.06 0.00 0.11 0.00 0.00 66.00 66.19 1hqk h PRO 60 Cb -0.02 0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.11 1hqk h PRO 60 CO -0.02 -0.13 0.05 -0.24 -0.21 0.00 0.00 178.00 177.45 1hqk h VAL 61 N -0.20 1.23 -0.49 3.15 3.04 -1.84 0.93 116.25 122.08 1hqk h VAL 61 Ca 0.10 -0.90 -0.13 0.00 -1.01 0.00 0.00 66.70 64.75 1hqk h VAL 61 Cb 0.34 0.80 -0.01 0.00 -2.01 0.00 0.00 31.29 30.40 1hqk h VAL 61 CO -0.25 0.32 -0.21 0.00 -1.01 0.00 0.00 177.57 176.42 1hqk h ALA 62 N 1.32 0.68 -0.30 3.17 0.00 -1.47 -2.97 119.26 119.69 1hqk h ALA 62 Ca 0.15 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 1hqk h ALA 62 Cb 0.37 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1hqk h ALA 62 CO 0.01 0.67 -0.03 0.00 0.00 0.00 0.00 179.25 179.90 1hqk h ALA 63 N 0.87 1.39 -0.47 0.00 0.00 -0.06 -1.80 119.26 119.19 1hqk h ALA 63 Ca 0.11 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1hqk h ALA 63 Cb 0.79 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1hqk h ALA 63 CO 0.07 0.43 0.21 0.78 0.00 0.00 0.00 179.25 180.73 1hqk h GLY 64 N 0.82 0.70 0.81 0.00 0.00 -0.79 0.25 103.07 104.86 1hqk h GLY 64 Ca 0.10 -0.32 -0.13 0.00 0.00 0.00 0.00 47.33 46.98 1hqk h GLY 64 CO 0.01 0.31 -0.44 0.83 0.00 0.00 0.00 176.54 177.25 1hqk h GLU 65 N 0.65 0.46 -0.61 4.80 4.39 -1.19 -2.94 114.58 120.15 1hqk h GLU 65 Ca 0.16 -0.37 -0.08 0.00 0.34 0.00 0.00 59.36 59.41 1hqk h GLU 65 Cb 0.09 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.79 1hqk h GLU 65 CO -0.02 1.00 0.08 -0.07 -1.16 0.00 0.00 179.01 178.84 1hqk h LEU 66 N 0.03 0.99 -1.60 1.33 3.38 -1.19 -2.84 115.31 115.42 1hqk h LEU 66 Ca -0.03 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 1hqk h LEU 66 Cb 1.08 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.57 1hqk h LEU 66 CO 0.09 1.01 -0.05 0.00 0.09 0.00 0.00 178.44 179.59 1hqk h ALA 67 N 1.01 1.03 0.00 1.53 0.00 -0.57 -2.30 119.26 119.96 1hqk h ALA 67 Ca 0.18 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1hqk h ALA 67 Cb 0.46 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1hqk h ALA 67 CO 0.02 0.06 0.00 0.00 0.00 0.00 0.00 179.25 179.32 1hqk h ARG 68 N 0.00 0.00 -6.60 0.00 3.08 -1.31 -3.45 114.38 106.10 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 0.49 0.00 0.04 0.00 0.08 0.00 0.00 29.97 30.57 1hqk h ARG 68 CO 0.01 0.00 0.78 0.15 -1.07 0.00 0.00 179.97 179.84 1hqk s LYS 69 N -3.18 4.28 0.40 0.04 1.02 -0.87 -4.91 119.74 116.53 1hqk s LYS 69 Ca 0.09 2.21 0.14 0.00 0.02 0.00 0.00 55.97 58.43 1hqk s LYS 69 Cb 0.11 -3.19 0.86 0.00 -0.52 0.00 0.00 37.83 35.08 1hqk s LYS 69 CO 0.55 -0.49 1.89 1.49 -0.92 0.00 0.00 175.35 177.87 1hqk h GLU 70 N 6.49 0.00 -0.72 1.68 4.22 -1.89 -2.50 114.58 121.87 1hqk h GLU 70 Ca -0.43 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.01 1hqk h GLU 70 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1hqk h GLU 70 CO 0.87 0.30 0.00 -0.40 -2.18 0.00 0.00 179.01 177.60 1hqk n ASP 71 N -4.11 3.94 -4.29 1.04 5.75 -1.26 -4.79 116.55 112.83 1hqk n ASP 71 Ca -0.02 -2.56 -0.34 0.00 -0.01 0.00 0.00 54.79 51.86 1hqk n ASP 71 Cb 0.35 -0.60 -0.14 0.00 -1.03 0.00 0.00 41.12 39.69 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 -2.08 3.06 -0.03 2.12 -1.09 -0.94 -4.78 121.20 117.45 1hqk s ILE 72 Ca 0.34 -0.61 0.12 0.00 -2.23 0.00 0.00 60.65 58.27 1hqk s ILE 72 Cb 0.26 -2.35 -0.16 0.00 -1.58 0.00 0.00 42.46 38.62 1hqk s ILE 72 CO 0.11 0.47 0.98 0.44 -1.23 0.00 0.00 174.94 175.71 1hqk h ASP 73 N 7.75 0.00 -4.90 3.58 3.32 -0.87 -3.47 116.42 121.83 1hqk h ASP 73 Ca -0.39 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.64 1hqk h ASP 73 Cb 1.17 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 40.56 1hqk h ASP 73 CO 0.60 0.84 0.25 0.00 -1.72 0.00 0.00 179.24 179.21 1hqk s ALA 74 N -2.75 -1.72 -0.06 3.45 0.00 -1.21 -4.49 121.76 114.97 1hqk s ALA 74 Ca -0.01 1.00 0.05 0.00 0.00 0.00 0.00 51.96 52.99 1hqk s ALA 74 Cb 0.09 0.32 -0.02 0.00 0.00 0.00 0.00 23.12 23.51 1hqk s ALA 74 CO 0.81 -0.55 -0.20 0.08 0.00 0.00 0.00 175.76 175.90 1hqk s VAL 75 N -2.33 2.50 -0.22 0.00 1.01 -0.74 -1.58 120.40 119.05 1hqk s VAL 75 Ca -0.04 -0.92 -0.04 0.00 0.00 0.00 0.00 61.98 60.98 1hqk s VAL 75 Cb -0.00 -1.94 -0.01 0.00 0.00 0.00 0.00 36.38 34.42 1hqk s VAL 75 CO -0.01 0.57 -0.04 -0.63 0.00 0.00 0.00 175.10 175.00 1hqk s ILE 76 N -0.38 3.47 -0.20 2.22 1.01 0.66 -0.65 121.20 127.33 1hqk s ILE 76 Ca 0.03 -0.46 -0.12 0.00 0.00 0.00 0.00 60.65 60.10 1hqk s ILE 76 Cb -0.12 -2.58 -0.05 0.00 0.01 0.00 0.00 42.46 39.72 1hqk s ILE 76 CO 0.02 0.42 0.20 0.00 0.00 0.00 0.00 174.94 175.59 1hqk s ALA 77 N 1.40 3.63 -0.08 9.38 0.00 -0.70 -1.55 121.76 133.84 1hqk s ALA 77 Ca 0.05 -0.67 0.01 0.00 0.00 0.00 0.00 51.96 51.35 1hqk s ALA 77 Cb -0.14 -2.31 0.02 0.00 0.00 0.00 0.00 23.12 20.68 1hqk s ALA 77 CO -0.02 -0.00 -0.10 0.42 0.00 0.00 0.00 175.76 176.06 1hqk s ILE 78 N 0.68 1.07 0.11 0.00 1.01 0.32 0.42 121.20 124.80 1hqk s ILE 78 Ca 0.11 -0.40 -0.26 0.00 0.00 0.00 0.00 60.65 60.10 1hqk s ILE 78 Cb -0.13 -1.02 0.08 0.00 0.01 0.00 0.00 42.46 41.40 1hqk s ILE 78 CO 0.02 0.35 1.06 -0.83 0.00 0.00 0.00 174.94 175.54 1hqk s GLY 79 N 1.03 -0.27 -0.14 6.18 0.00 -1.10 -1.92 107.32 111.10 1hqk s GLY 79 Ca -0.08 0.27 -0.01 0.00 0.00 0.00 0.00 44.72 44.90 1hqk s GLY 79 CO -0.01 0.11 -0.01 0.14 0.00 0.00 0.00 173.10 173.33 1hqk s VAL 80 N -3.01 0.72 -0.14 1.40 1.01 -1.26 -0.55 120.40 118.58 1hqk s VAL 80 Ca 0.13 -0.35 -0.03 0.00 0.00 0.00 0.00 61.98 61.73 1hqk s VAL 80 Cb 0.00 -0.96 -0.03 0.00 0.00 0.00 0.00 36.38 35.39 1hqk s VAL 80 CO 0.01 0.10 -0.03 -0.76 0.00 0.00 0.00 175.10 174.42 1hqk s LEU 81 N 1.80 3.33 -0.07 3.92 1.43 0.07 -4.72 118.68 124.45 1hqk s LEU 81 Ca 0.02 -0.06 0.04 0.00 -1.03 0.00 0.00 54.13 53.09 1hqk s LEU 81 Cb -0.15 -1.79 0.00 0.00 0.03 0.00 0.00 46.19 44.28 1hqk s LEU 81 CO -0.07 0.21 -0.18 -0.63 0.23 0.00 0.00 176.35 175.92 1hqk s ILE 82 N 0.09 1.53 0.28 -0.59 1.01 -1.26 -0.95 121.20 121.32 1hqk s ILE 82 Ca 0.00 -0.74 -0.30 0.00 0.00 0.00 0.00 60.65 59.61 1hqk s ILE 82 Cb -0.13 -1.34 -0.11 0.00 0.01 0.00 0.00 42.46 40.89 1hqk s ILE 82 CO 0.02 0.44 1.55 -0.60 0.00 0.00 0.00 174.94 176.36 1hqk s ARG 83 N 0.30 4.16 0.00 2.79 3.52 -0.19 -4.94 118.95 124.59 1hqk s ARG 83 Ca -0.11 2.51 0.00 0.00 -0.13 0.00 0.00 55.73 58.00 1hqk s ARG 83 Cb -0.15 -3.04 0.00 0.00 -1.56 0.00 0.00 34.95 30.20 1hqk s ARG 83 CO 0.04 -0.58 0.00 0.41 -0.81 0.00 0.00 175.30 174.37 1hqk n GLY 84 N 2.13 1.93 0.10 8.12 0.00 -1.26 -4.84 105.19 111.36 1hqk n GLY 84 Ca 0.08 -1.96 -0.02 0.00 0.00 0.00 0.00 46.02 44.11 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 0.53 -0.64 4.61 0.00 -2.01 -3.47 119.26 117.30 1hqk h ALA 85 Ca 0.00 -0.69 -0.54 0.00 0.00 0.00 0.00 54.91 53.68 1hqk h ALA 85 Cb 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1hqk h ALA 85 CO 0.00 0.93 -0.19 0.95 0.00 0.00 0.00 179.25 180.94 1hqk s THR 86 N -2.84 1.86 -2.00 0.00 -4.23 -1.26 -5.00 115.64 102.17 1hqk s THR 86 Ca 0.02 -1.24 0.11 0.00 -1.18 0.00 0.00 61.69 59.41 1hqk s THR 86 Cb 0.09 -2.10 0.32 0.00 1.34 0.00 0.00 72.50 72.15 1hqk s THR 86 CO 0.78 0.00 1.35 -0.81 -0.54 0.00 0.00 174.62 175.41 1hqk n PRO 87 N -2.03 0.89 -0.20 3.99 -0.04 -1.26 -4.16 135.00 132.19 1hqk n PRO 87 Ca 0.07 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.52 1hqk n PRO 87 Cb 0.63 -1.20 0.05 0.00 -0.04 0.00 0.00 33.50 32.94 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 -0.47 -0.78 0.54 2.76 -1.95 -1.01 115.15 114.25 1hqk h HIS 88 Ca 0.00 0.06 0.18 0.00 -2.20 0.00 0.00 60.37 58.41 1hqk h HIS 88 Cb 0.00 0.30 -0.13 0.00 1.55 0.00 0.00 27.41 29.13 1hqk h HIS 88 CO 0.00 -0.30 0.08 0.35 -1.30 0.00 0.00 177.93 176.76 1hqk h PHE 89 N -0.05 0.08 -0.35 5.26 3.57 -1.93 -1.23 116.94 122.30 1hqk h PHE 89 Ca 0.29 0.05 0.03 0.00 3.53 0.00 0.00 57.97 61.87 1hqk h PHE 89 Cb 0.49 0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.28 1hqk h PHE 89 CO -0.54 -0.21 0.15 -0.44 -2.23 0.00 0.00 178.31 175.04 1hqk h ASP 90 N 0.15 0.21 -0.37 0.41 3.45 -1.49 0.55 116.42 119.33 1hqk h ASP 90 Ca 0.44 0.03 -0.13 0.00 0.43 0.00 0.00 57.03 57.79 1hqk h ASP 90 Cb 0.81 -0.01 -0.01 0.00 -0.56 0.00 0.00 39.33 39.56 1hqk h ASP 90 CO -0.64 0.16 -0.30 1.88 -1.57 0.00 0.00 179.24 178.77 1hqk h TYR 91 N 0.32 1.00 0.10 4.55 0.05 -1.31 -0.85 116.97 120.84 1hqk h TYR 91 Ca 0.15 -0.28 -0.00 0.00 0.05 0.00 0.00 58.73 58.64 1hqk h TYR 91 Cb 0.09 -0.22 0.00 0.00 1.01 0.00 0.00 36.73 37.61 1hqk h TYR 91 CO -0.12 1.07 -0.05 0.82 -1.05 0.00 0.00 178.16 178.84 1hqk h ILE 92 N 0.64 1.00 -1.00 -2.88 1.08 -1.08 -1.66 117.51 113.62 1hqk h ILE 92 Ca 0.07 -0.35 0.02 0.00 -0.39 0.00 0.00 64.86 64.20 1hqk h ILE 92 Cb 0.87 1.23 -0.05 0.00 -3.07 0.00 0.00 36.82 35.80 1hqk h ILE 92 CO 0.08 0.09 0.66 0.00 -0.69 0.00 0.00 178.15 178.28 1hqk h ALA 93 N 0.60 1.28 -0.46 1.87 0.00 -0.90 -0.71 119.26 120.93 1hqk h ALA 93 Ca -0.01 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1hqk h ALA 93 Cb 0.24 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1hqk h ALA 93 CO 0.02 0.63 0.26 1.03 0.00 0.00 0.00 179.25 181.19 1hqk h SER 94 N 1.33 0.57 1.05 0.00 0.87 -1.07 -2.02 113.55 114.28 1hqk h SER 94 Ca 0.37 -0.08 -0.20 0.00 -1.23 0.00 0.00 61.79 60.66 1hqk h SER 94 Cb -0.12 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 61.67 1hqk h SER 94 CO -0.09 0.48 -0.96 -0.33 -0.53 0.00 0.00 176.83 175.40 1hqk h GLU 95 N 0.61 0.00 -0.23 2.24 4.39 -0.85 -0.83 114.58 119.91 1hqk h GLU 95 Ca 0.16 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.84 1hqk h GLU 95 Cb 0.03 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 1hqk h GLU 95 CO -0.03 0.93 0.06 0.28 -1.16 0.00 0.00 179.01 179.08 1hqk h VAL 96 N 0.00 1.21 -0.37 3.13 2.07 -1.13 -0.03 116.25 121.13 1hqk h VAL 96 Ca -0.02 -0.68 -0.08 0.00 0.82 0.00 0.00 66.70 66.74 1hqk h VAL 96 Cb 1.73 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 32.71 1hqk h VAL 96 CO 0.12 0.22 -0.08 0.77 0.02 0.00 0.00 177.57 178.62 1hqk h SER 97 N 0.19 0.70 -0.83 0.57 4.64 -1.36 -2.22 113.55 115.25 1hqk h SER 97 Ca 0.07 -0.36 -0.01 0.00 -0.47 0.00 0.00 61.79 61.03 1hqk h SER 97 Cb 0.28 -0.19 -0.04 0.00 -0.31 0.00 0.00 62.40 62.14 1hqk h SER 97 CO 0.00 0.89 0.48 0.50 -0.87 0.00 0.00 176.83 177.84 1hqk h LYS 98 N 0.50 1.14 -0.21 4.77 3.11 -1.11 -1.64 116.57 123.13 1hqk h LYS 98 Ca 0.09 -0.12 -0.14 0.00 -2.81 0.00 0.00 60.65 57.68 1hqk h LYS 98 Cb 0.58 -0.23 0.00 0.00 -1.00 0.00 0.00 32.23 31.58 1hqk h LYS 98 CO 0.03 0.82 -0.40 0.78 -2.81 0.00 0.00 179.45 177.87 1hqk h GLY 99 N 1.15 0.70 1.01 5.01 0.00 -0.89 -0.60 103.07 109.45 1hqk h GLY 99 Ca 0.30 -0.82 -0.03 0.00 0.00 0.00 0.00 47.33 46.77 1hqk h GLY 99 CO -0.05 0.74 0.31 1.41 0.00 0.00 0.00 176.54 178.95 1hqk h LEU 100 N 0.32 0.93 -0.42 3.11 3.38 -1.36 -0.17 115.31 121.11 1hqk h LEU 100 Ca 0.01 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 1hqk h LEU 100 Cb 1.00 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 1hqk h LEU 100 CO 0.09 0.82 0.09 0.00 0.09 0.00 0.00 178.44 179.53 1hqk h ALA 101 N 1.15 0.55 -0.52 1.53 0.00 -1.09 -1.54 119.26 119.34 1hqk h ALA 101 Ca 0.24 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1hqk h ALA 101 Cb 0.16 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1hqk h ALA 101 CO -0.03 0.25 0.16 -0.91 0.00 0.00 0.00 179.25 178.72 1hqk h ASN 102 N 0.54 0.75 -0.84 0.00 2.35 -1.00 -2.83 115.58 114.56 1hqk h ASN 102 Ca 0.13 -0.21 -0.01 0.00 -0.55 0.00 0.00 56.30 55.66 1hqk h ASN 102 Cb 0.34 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 38.47 1hqk h ASN 102 CO 0.00 0.76 0.48 -0.07 -1.65 0.00 0.00 177.43 176.95 1hqk h LEU 103 N 0.71 1.04 -0.72 1.61 3.38 -0.83 0.11 115.31 120.61 1hqk h LEU 103 Ca 0.17 -0.09 0.03 0.00 0.09 0.00 0.00 57.88 58.08 1hqk h LEU 103 Cb 0.27 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.72 1hqk h LEU 103 CO -0.01 0.82 0.45 -1.28 0.09 0.00 0.00 178.44 178.52 1hqk h SER 104 N 1.17 0.73 -0.30 -0.43 0.87 -1.07 -0.33 113.55 114.19 1hqk h SER 104 Ca 0.30 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.76 1hqk h SER 104 Cb -0.00 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 61.80 1hqk h SER 104 CO -0.05 0.51 -0.22 -0.07 -0.53 0.00 0.00 176.83 176.47 1hqk h LEU 105 N 0.87 0.71 -0.41 2.23 3.38 -1.22 -0.09 115.31 120.79 1hqk h LEU 105 Ca 0.29 -0.44 -0.06 0.00 0.09 0.00 0.00 57.88 57.76 1hqk h LEU 105 Cb 0.03 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1hqk h LEU 105 CO -0.11 1.00 0.04 -0.08 0.09 0.00 0.00 178.44 179.37 1hqk h GLU 106 N 0.42 0.69 -0.01 1.13 4.81 -0.77 -3.04 114.58 117.81 1hqk h GLU 106 Ca 0.06 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 1hqk h GLU 106 Cb 0.77 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.08 1hqk h GLU 106 CO 0.06 0.76 -0.15 1.28 -0.73 0.00 0.00 179.01 180.22 1hqk n LEU 107 N -4.48 1.14 -3.85 1.64 4.77 -0.15 -4.97 117.00 111.10 1hqk n LEU 107 Ca -0.01 -0.32 -0.26 0.00 -0.03 0.00 0.00 56.01 55.39 1hqk n LEU 107 Cb 0.26 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 1hqk n LEU 107 CO 0.40 0.20 -0.17 0.54 -1.33 0.00 0.00 177.39 177.03 1hqk n ARG 108 N -0.39 -3.18 -3.76 3.23 1.74 -0.09 -4.97 116.66 109.24 1hqk n ARG 108 Ca 0.15 0.46 -0.12 0.00 -0.77 0.00 0.00 57.85 57.56 1hqk n ARG 108 Cb 0.34 -4.57 -0.12 0.00 -1.02 0.00 0.00 32.46 27.10 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 -6.32 0.28 0.21 5.56 2.20 -0.96 -5.05 119.74 115.66 1hqk s LYS 109 Ca 0.10 0.45 -0.31 0.00 -0.36 0.00 0.00 55.97 55.85 1hqk s LYS 109 Cb -0.04 0.05 -0.11 0.00 -1.51 0.00 0.00 37.83 36.22 1hqk s LYS 109 CO 0.87 -0.09 1.59 -2.14 -0.36 0.00 0.00 175.35 175.22 1hqk s PRO 110 N 0.61 4.18 -0.13 4.03 0.02 -1.26 -4.49 135.00 137.96 1hqk s PRO 110 Ca -0.04 2.45 -0.00 0.00 0.02 0.00 0.00 61.00 63.43 1hqk s PRO 110 Cb -0.05 -3.10 0.03 0.00 0.02 0.00 0.00 34.50 31.39 1hqk s PRO 110 CO -0.04 -0.62 -0.07 0.42 -0.33 0.00 0.00 177.00 176.37 1hqk s ILE 111 N 0.77 1.06 0.14 2.83 1.01 -1.26 -1.79 121.20 123.97 1hqk s ILE 111 Ca 0.68 -0.39 0.02 0.00 0.00 0.00 0.00 60.65 60.97 1hqk s ILE 111 Cb -0.46 -1.12 -0.04 0.00 0.01 0.00 0.00 42.46 40.86 1hqk s ILE 111 CO 0.36 0.31 0.27 0.42 0.00 0.00 0.00 174.94 176.30 1hqk s THR 112 N 1.69 5.31 -0.71 2.92 -4.23 0.18 -4.96 115.64 115.83 1hqk s THR 112 Ca 0.04 -0.67 -0.07 0.00 -1.18 0.00 0.00 61.69 59.81 1hqk s THR 112 Cb -0.13 -3.72 0.18 0.00 1.34 0.00 0.00 72.50 70.17 1hqk s THR 112 CO -0.08 -0.07 0.57 0.12 -0.54 0.00 0.00 174.62 174.62 1hqk s PHE 113 N -1.72 3.54 -0.68 3.99 5.36 -1.26 -1.72 117.98 125.48 1hqk s PHE 113 Ca 0.34 -2.46 -0.02 0.00 -0.96 0.00 0.00 56.93 53.83 1hqk s PHE 113 Cb -0.11 -3.43 0.43 0.00 -0.34 0.00 0.00 43.02 39.57 1hqk s PHE 113 CO 0.28 -0.89 2.04 0.41 -1.46 0.00 0.00 175.22 175.60 1hqk n GLY 114 N 3.62 5.80 3.46 13.12 0.00 0.17 -4.83 105.19 126.53 1hqk n GLY 114 Ca 0.10 -2.30 -0.38 0.00 0.00 0.00 0.00 46.02 43.45 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 -4.80 4.56 0.22 1.61 1.01 -1.23 -2.73 120.40 119.03 1hqk s VAL 115 Ca 0.63 -0.25 -0.30 0.00 0.00 0.00 0.00 61.98 62.06 1hqk s VAL 115 Cb 0.50 -3.23 -0.08 0.00 0.00 0.00 0.00 36.38 33.57 1hqk s VAL 115 CO -0.06 0.20 0.97 -0.63 0.00 0.00 0.00 175.10 175.59 1hqk s ILE 116 N 1.63 4.07 -0.46 2.22 1.01 0.29 -4.91 121.20 125.05 1hqk s ILE 116 Ca 0.06 1.99 0.03 0.00 0.00 0.00 0.00 60.65 62.73 1hqk s ILE 116 Cb -0.16 -4.27 0.14 0.00 0.01 0.00 0.00 42.46 38.18 1hqk s ILE 116 CO 0.06 0.44 0.27 0.42 0.00 0.00 0.00 174.94 176.13 1hqk s THR 117 N -0.90 1.47 0.04 2.92 -4.23 -1.26 -0.75 115.64 112.93 1hqk s THR 117 Ca 0.43 -2.74 0.02 0.00 -1.18 0.00 0.00 61.69 58.22 1hqk s THR 117 Cb -0.26 -2.02 -0.04 0.00 1.34 0.00 0.00 72.50 71.52 1hqk s THR 117 CO 0.33 -0.94 0.05 0.00 -0.54 0.00 0.00 174.62 173.52 1hqk s ALA 118 N 0.14 3.46 0.18 3.99 0.00 -0.12 -5.00 121.76 124.40 1hqk s ALA 118 Ca 0.20 -0.98 0.07 0.00 0.00 0.00 0.00 51.96 51.25 1hqk s ALA 118 Cb -0.20 -1.41 0.03 0.00 0.00 0.00 0.00 23.12 21.55 1hqk s ALA 118 CO -0.03 0.70 1.42 -0.44 0.00 0.00 0.00 175.76 177.41 1hqk h ASP 119 N 3.75 0.05 -4.02 0.00 3.32 -1.93 -0.48 116.42 117.11 1hqk h ASP 119 Ca -0.48 -0.05 -0.32 0.00 0.02 0.00 0.00 57.03 56.20 1hqk h ASP 119 Cb 1.17 -0.02 -0.15 0.00 0.22 0.00 0.00 39.33 40.56 1hqk h ASP 119 CO 0.62 0.87 -0.71 0.42 -1.72 0.00 0.00 179.24 178.71 1hqk s THR 120 N -3.13 1.14 0.21 0.35 -4.23 -1.26 -3.94 115.64 104.78 1hqk s THR 120 Ca -0.01 -2.03 -0.11 0.00 -1.18 0.00 0.00 61.69 58.37 1hqk s THR 120 Cb 0.11 -1.81 0.15 0.00 1.34 0.00 0.00 72.50 72.29 1hqk s THR 120 CO 0.80 -0.74 1.88 0.25 -0.54 0.00 0.00 174.62 176.27 1hqk h LEU 121 N 2.85 0.85 -0.52 4.79 5.85 -1.92 -2.24 115.31 124.97 1hqk h LEU 121 Ca -0.37 -0.03 0.07 0.00 0.84 0.00 0.00 57.88 58.40 1hqk h LEU 121 Cb 1.19 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 41.94 1hqk h LEU 121 CO 0.63 0.62 0.18 -0.08 -0.34 0.00 0.00 178.44 179.44 1hqk h GLU 122 N 1.01 0.34 -0.89 1.25 4.81 -1.99 -0.35 114.58 118.75 1hqk h GLU 122 Ca 0.27 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.51 1hqk h GLU 122 Cb -0.11 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.14 1hqk h GLU 122 CO -0.06 0.22 0.59 1.96 -0.73 0.00 0.00 179.01 180.99 1hqk h GLN 123 N 0.35 1.08 -0.35 1.92 4.20 -1.85 -1.32 115.11 119.14 1hqk h GLN 123 Ca 0.25 -0.07 -0.08 0.00 0.06 0.00 0.00 58.65 58.82 1hqk h GLN 123 Cb 0.29 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 1hqk h GLN 123 CO -0.27 0.72 -0.09 0.00 -0.67 0.00 0.00 178.83 178.52 1hqk h ALA 124 N 1.48 0.48 -0.62 3.87 0.00 -0.76 -2.83 119.26 120.88 1hqk h ALA 124 Ca 0.35 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1hqk h ALA 124 Cb 0.01 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1hqk h ALA 124 CO -0.10 0.33 0.39 0.82 0.00 0.00 0.00 179.25 180.69 1hqk h ILE 125 N 0.46 1.18 -0.71 0.00 2.04 -0.67 -2.14 117.51 117.67 1hqk h ILE 125 Ca 0.09 -0.37 0.12 0.00 1.00 0.00 0.00 64.86 65.70 1hqk h ILE 125 Cb 0.60 0.31 -0.05 0.00 -0.74 0.00 0.00 36.82 36.94 1hqk h ILE 125 CO 0.04 0.18 0.48 -0.33 0.00 0.00 0.00 178.15 178.51 1hqk h GLU 126 N 0.84 0.46 -0.02 2.37 5.08 -1.12 -2.66 114.58 119.53 1hqk h GLU 126 Ca 0.22 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1hqk h GLU 126 Cb -0.04 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.10 1hqk h GLU 126 CO -0.04 0.31 -0.03 0.54 -1.00 0.00 0.00 179.01 178.79 1hqk n ARG 127 N -4.48 2.04 -2.28 2.33 1.74 -0.86 -0.40 116.66 114.75 1hqk n ARG 127 Ca 0.13 -1.56 -0.30 0.00 -0.77 0.00 0.00 57.85 55.35 1hqk n ARG 127 Cb 0.44 -1.47 0.01 0.00 -1.02 0.00 0.00 32.46 30.43 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 0.88 5.41 -0.01 7.54 0.00 -0.88 -1.51 120.51 131.93 1hqk n ALA 128 Ca 0.15 -4.21 0.00 0.00 0.00 0.00 0.00 53.44 49.39 1hqk n ALA 128 Cb 0.51 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 19.11 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 -0.53 1.42 0.00 0.00 0.00 0.15 -4.71 105.19 101.52 1hqk n GLY 129 Ca 0.43 -0.01 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 -1.59 0.00 0.32 2.61 -2.24 -1.13 -4.94 114.28 107.31 1hqk n THR 130 Ca 0.00 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 61.93 1hqk n THR 130 Cb 0.00 0.00 0.53 0.00 -2.10 0.00 0.00 70.33 68.76 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 -0.40 -0.78 2.10 -1.80 -0.97 116.57 114.72 1hqk h LYS 131 Ca 0.00 0.00 -0.15 0.00 -2.00 0.00 0.00 60.65 58.50 1hqk h LYS 131 Cb 0.00 0.00 -0.09 0.00 -0.90 0.00 0.00 32.23 31.24 1hqk h LYS 131 CO 0.00 0.00 0.03 0.72 -2.00 0.00 0.00 179.45 178.20 1hqk n HIS 132 N -2.86 1.29 -2.75 0.07 8.25 0.47 -5.05 115.22 114.64 1hqk n HIS 132 Ca 0.02 -1.34 0.00 0.00 -0.26 0.00 0.00 57.72 56.14 1hqk n HIS 132 Cb 0.34 -0.48 0.00 0.00 1.12 0.00 0.00 29.99 30.97 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 -0.85 -0.83 2.66 -1.41 0.00 -0.37 -4.65 105.19 99.74 1hqk n GLY 133 Ca 0.32 -1.42 -0.26 0.00 0.00 0.00 0.00 46.02 44.66 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 2.36 0.42 1.61 3.84 -1.25 0.33 114.94 118.24 1hqk s ASN 134 Ca 0.00 -0.58 0.21 0.00 0.21 0.00 0.00 52.86 52.69 1hqk s ASN 134 Cb 0.00 -0.35 0.90 0.00 -0.55 0.00 0.00 41.25 41.25 1hqk s ASN 134 CO 0.00 -0.32 1.84 0.11 -2.79 0.00 0.00 177.10 175.94 1hqk h LYS 135 N 8.36 0.00 0.21 0.43 1.79 -1.59 -2.25 116.57 123.53 1hqk h LYS 135 Ca -0.15 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.31 1hqk h LYS 135 Cb 1.14 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.79 1hqk h LYS 135 CO 0.29 0.29 -0.10 0.78 -1.08 0.00 0.00 179.45 179.63 1hqk h GLY 136 N 1.64 -0.29 0.72 3.86 0.00 -1.83 -1.54 103.07 105.64 1hqk h GLY 136 Ca -0.00 0.11 0.08 0.00 0.00 0.00 0.00 47.33 47.51 1hqk h GLY 136 CO 0.04 -0.11 0.63 -0.25 0.00 0.00 0.00 176.54 176.86 1hqk h TRP 137 N -0.31 1.16 -0.42 5.60 7.01 -1.61 -1.37 115.95 126.00 1hqk h TRP 137 Ca -0.03 0.03 -0.08 0.00 2.11 0.00 0.00 58.89 60.92 1hqk h TRP 137 Cb 0.24 -0.38 -0.01 0.00 -2.10 0.00 0.00 29.16 26.91 1hqk h TRP 137 CO -0.05 0.57 -0.06 0.93 -2.79 0.00 0.00 178.44 177.05 1hqk h GLU 138 N 1.11 0.77 -0.09 2.65 5.08 -1.34 -1.03 114.58 121.74 1hqk h GLU 138 Ca 0.43 -0.27 -0.10 0.00 -1.00 0.00 0.00 59.36 58.42 1hqk h GLU 138 Cb 0.24 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1hqk h GLU 138 CO -0.18 0.88 -0.40 0.00 -1.00 0.00 0.00 179.01 178.30 1hqk h ALA 139 N 0.87 1.17 -0.28 3.43 0.00 -1.16 -1.09 119.26 122.18 1hqk h ALA 139 Ca 0.11 -0.40 -0.07 0.00 0.00 0.00 0.00 54.91 54.55 1hqk h ALA 139 Cb 0.57 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1hqk h ALA 139 CO 0.03 0.57 -0.11 0.00 0.00 0.00 0.00 179.25 179.74 1hqk h ALA 140 N 1.43 0.40 -0.91 0.00 0.00 -1.04 -1.16 119.26 117.98 1hqk h ALA 140 Ca 0.01 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1hqk h ALA 140 Cb 0.78 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 1hqk h ALA 140 CO 0.06 0.25 0.52 1.25 0.00 0.00 0.00 179.25 181.33 1hqk h LEU 141 N 0.33 1.11 -0.92 0.00 5.85 -0.85 -0.09 115.31 120.74 1hqk h LEU 141 Ca 0.07 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 1hqk h LEU 141 Cb 0.61 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.32 1hqk h LEU 141 CO 0.04 0.88 0.55 0.28 -0.34 0.00 0.00 178.44 179.84 1hqk h SER 142 N 1.26 1.11 0.29 1.25 0.02 -1.07 -1.93 113.55 114.46 1hqk h SER 142 Ca 0.32 -0.07 -0.12 0.00 -0.84 0.00 0.00 61.79 61.08 1hqk h SER 142 Cb -0.01 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.24 1hqk h SER 142 CO -0.06 0.85 -0.48 0.00 -1.14 0.00 0.00 176.83 176.01 1hqk h ALA 143 N 1.30 1.03 -0.28 3.77 0.00 -0.33 -0.50 119.26 124.25 1hqk h ALA 143 Ca 0.33 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1hqk h ALA 143 Cb -0.05 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1hqk h ALA 143 CO -0.06 0.64 0.15 0.82 0.00 0.00 0.00 179.25 180.79 1hqk h ILE 144 N 0.19 1.14 -0.37 0.00 2.04 -0.85 0.82 117.51 120.47 1hqk h ILE 144 Ca 0.01 -0.37 -0.03 0.00 1.00 0.00 0.00 64.86 65.47 1hqk h ILE 144 Cb 0.91 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.84 1hqk h ILE 144 CO 0.07 0.14 0.12 -0.08 0.00 0.00 0.00 178.15 178.39 1hqk h GLU 145 N 0.33 0.58 -0.42 2.37 4.81 -1.09 -1.45 114.58 119.72 1hqk h GLU 145 Ca 0.10 -0.13 -0.07 0.00 -0.13 0.00 0.00 59.36 59.13 1hqk h GLU 145 Cb 0.09 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1hqk h GLU 145 CO -0.01 0.59 -0.02 0.52 -0.73 0.00 0.00 179.01 179.36 1hqk h MET 146 N 0.45 0.75 -0.75 1.92 2.86 -0.95 0.78 114.93 119.99 1hqk h MET 146 Ca 0.12 -0.25 -0.02 0.00 -2.06 0.00 0.00 59.70 57.49 1hqk h MET 146 Cb 0.26 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 31.82 1hqk h MET 146 CO -0.00 0.84 0.40 0.00 1.06 0.00 0.00 176.91 179.21 1hqk h ALA 147 N 0.88 1.29 -0.43 6.32 0.00 -0.70 0.50 119.26 127.13 1hqk h ALA 147 Ca 0.12 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1hqk h ALA 147 Cb 0.52 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1hqk h ALA 147 CO 0.03 0.57 -0.12 -0.91 0.00 0.00 0.00 179.25 178.82 1hqk h ASN 148 N 1.05 0.85 -0.58 0.00 -0.26 -1.01 -2.72 115.58 112.92 1hqk h ASN 148 Ca 0.26 -0.37 0.05 0.00 -0.56 0.00 0.00 56.30 55.68 1hqk h ASN 148 Cb 0.04 -0.23 -0.05 0.00 -1.06 0.00 0.00 38.32 37.02 1hqk h ASN 148 CO -0.04 1.03 0.31 0.25 -1.06 0.00 0.00 177.43 177.92 1hqk h LEU 149 N 0.67 0.47 -0.55 1.61 5.85 -0.46 -2.47 115.31 120.44 1hqk h LEU 149 Ca 0.11 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.85 1hqk h LEU 149 Cb 0.66 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.62 1hqk h LEU 149 CO 0.05 0.32 0.00 0.49 -0.34 0.00 0.00 178.44 178.95 1hqk n PHE 150 N -4.83 0.64 0.16 1.25 3.01 0.13 -0.71 117.46 117.12 1hqk n PHE 150 Ca 0.06 0.25 0.03 0.00 1.01 0.00 0.00 57.45 58.80 1hqk n PHE 150 Cb 0.14 -0.90 0.39 0.00 -0.01 0.00 0.00 39.48 39.09 1hqk n PHE 150 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 1hqk h LYS 151 N 0.00 0.10 0.00 -1.08 1.57 -1.14 -1.75 116.57 114.26 1hqk h LYS 151 Ca 0.00 -0.03 -0.33 0.00 -1.87 0.00 0.00 60.65 58.42 1hqk h LYS 151 Cb 0.34 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.58 1hqk h LYS 151 CO 0.00 0.36 -2.31 -1.13 -0.57 0.00 0.00 179.45 175.80 1hqk n SER 152 N -4.19 0.20 0.08 0.86 3.41 -0.69 -4.72 113.62 108.57 1hqk n SER 152 Ca -0.02 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.47 1hqk n SER 152 Cb 0.34 1.05 -0.13 0.00 -0.26 0.00 0.00 64.21 65.20 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 0.23 -0.26 1.04 5.85 -0.83 -3.53 115.31 117.81 1hqk h LEU 153 Ca -0.49 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 57.98 1hqk h LEU 153 Cb 2.11 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 43.07 1hqk h LEU 153 CO 0.03 1.20 0.00 -1.14 -0.34 0.00 0.00 178.44 178.19