#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qlk n SER 1 N 0.00 0.00 0.18 7.83 2.88 -1.26 -3.34 113.62 119.91 1qlk n SER 1 Ca 0.00 -0.89 0.07 0.00 -1.33 0.00 0.00 58.87 56.72 1qlk n SER 1 Cb 0.00 0.00 0.57 0.00 -0.75 0.00 0.00 64.21 64.03 1qlk n SER 1 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1qlk h GLU 2 N 0.00 0.16 -0.14 -1.46 5.08 -2.05 -2.11 114.58 114.06 1qlk h GLU 2 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1qlk h GLU 2 Cb 0.00 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1qlk h GLU 2 CO 0.00 0.11 0.09 1.25 -1.00 0.00 0.00 179.01 179.46 1qlk h LEU 3 N 0.16 0.16 -0.96 1.33 5.85 -1.99 0.31 115.31 120.18 1qlk h LEU 3 Ca 0.04 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.77 1qlk h LEU 3 Cb -0.01 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 40.93 1qlk h LEU 3 CO -0.01 0.12 0.63 -0.08 -0.34 0.00 0.00 178.44 178.76 1qlk h GLU 4 N 0.19 1.27 -0.35 1.25 4.81 -1.65 -1.83 114.58 118.27 1qlk h GLU 4 Ca 0.05 -0.08 -0.10 0.00 -0.13 0.00 0.00 59.36 59.10 1qlk h GLU 4 Cb -0.02 -0.28 -0.02 0.00 0.63 0.00 0.00 28.75 29.06 1qlk h GLU 4 CO -0.01 0.85 -0.19 0.87 -0.73 0.00 0.00 179.01 179.79 1qlk h LYS 5 N 1.30 0.66 -0.67 1.92 1.57 -1.04 -3.01 116.57 117.30 1qlk h LYS 5 Ca 0.35 -0.24 0.01 0.00 -1.87 0.00 0.00 60.65 58.90 1qlk h LYS 5 Cb -0.14 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.09 1qlk h LYS 5 CO -0.07 0.81 0.45 0.00 -0.57 0.00 0.00 179.45 180.06 1qlk h ALA 6 N 1.20 0.86 -0.71 3.86 0.00 0.46 0.68 119.26 125.61 1qlk h ALA 6 Ca 0.09 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1qlk h ALA 6 Cb 0.65 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1qlk h ALA 6 CO 0.05 0.28 0.47 0.52 0.00 0.00 0.00 179.25 180.56 1qlk h MET 7 N 0.91 0.94 -0.37 0.00 2.86 -1.36 -0.18 114.93 117.72 1qlk h MET 7 Ca 0.25 -0.06 -0.16 0.00 -2.06 0.00 0.00 59.70 57.67 1qlk h MET 7 Cb -0.10 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.34 1qlk h MET 7 CO -0.05 0.62 -0.40 0.28 1.06 0.00 0.00 176.91 178.42 1qlk h VAL 8 N 0.96 1.27 -0.63 -2.22 2.07 -1.30 -3.04 116.25 113.36 1qlk h VAL 8 Ca 0.26 -1.58 0.01 0.00 0.82 0.00 0.00 66.70 66.21 1qlk h VAL 8 Cb -0.11 1.41 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 1qlk h VAL 8 CO -0.06 0.53 0.42 0.00 0.02 0.00 0.00 177.57 178.48 1qlk h ALA 9 N 0.76 0.80 -0.03 1.67 0.00 0.10 -0.62 119.26 121.94 1qlk h ALA 9 Ca 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1qlk h ALA 9 Cb 1.00 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 1qlk h ALA 9 CO 0.10 0.23 0.02 -0.07 0.00 0.00 0.00 179.25 179.52 1qlk h LEU 10 N 0.85 0.03 -0.43 0.00 3.38 -1.02 -0.31 115.31 117.82 1qlk h LEU 10 Ca 0.23 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 1qlk h LEU 10 Cb -0.10 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1qlk h LEU 10 CO -0.05 0.02 0.27 0.40 0.09 0.00 0.00 178.44 179.17 1qlk h ILE 11 N 0.04 1.13 -0.80 1.22 2.04 -1.39 -1.05 117.51 118.69 1qlk h ILE 11 Ca 0.01 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.59 1qlk h ILE 11 Cb -0.00 0.54 -0.04 0.00 -0.74 0.00 0.00 36.82 36.58 1qlk h ILE 11 CO -0.00 0.13 0.46 0.44 0.00 0.00 0.00 178.15 179.17 1qlk h ASP 12 N 0.57 0.98 -0.14 1.72 3.32 -0.82 -1.27 116.42 120.78 1qlk h ASP 12 Ca 0.15 -0.08 -0.06 0.00 0.02 0.00 0.00 57.03 57.06 1qlk h ASP 12 Cb -0.02 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.27 1qlk h ASP 12 CO -0.03 0.78 -0.16 0.58 -1.72 0.00 0.00 179.24 178.70 1qlk h VAL 13 N 1.10 1.35 -0.88 -1.35 2.07 -0.77 -2.88 116.25 114.89 1qlk h VAL 13 Ca 0.28 -1.33 0.01 0.00 0.82 0.00 0.00 66.70 66.48 1qlk h VAL 13 Cb 0.00 1.90 -0.04 0.00 -1.52 0.00 0.00 31.29 31.63 1qlk h VAL 13 CO -0.05 0.39 0.58 0.15 0.02 0.00 0.00 177.57 178.67 1qlk h PHE 14 N -0.02 1.11 -0.35 1.57 3.04 -1.06 -2.69 116.94 118.53 1qlk h PHE 14 Ca 0.02 0.03 -0.00 0.00 3.98 0.00 0.00 57.97 61.99 1qlk h PHE 14 Cb 0.69 -0.38 -0.02 0.00 2.56 0.00 0.00 35.95 38.81 1qlk h PHE 14 CO 0.09 0.70 0.22 1.25 -2.02 0.00 0.00 178.31 178.54 1qlk h HIS 15 N 1.20 0.46 0.07 0.41 2.76 -1.22 0.31 115.15 119.14 1qlk h HIS 15 Ca 0.32 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.49 1qlk h HIS 15 Cb -0.14 -0.15 0.00 0.00 1.55 0.00 0.00 27.41 28.67 1qlk h HIS 15 CO -0.01 0.33 -0.04 1.96 -1.30 0.00 0.00 177.93 178.87 1qlk h GLN 16 N 0.46 -0.10 -0.24 5.26 4.20 -1.26 -1.74 115.11 121.69 1qlk h GLN 16 Ca 0.13 0.01 -0.17 0.00 0.06 0.00 0.00 58.65 58.68 1qlk h GLN 16 Cb -0.00 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 27.79 1qlk h GLN 16 CO -0.02 -0.02 -0.53 1.88 -0.67 0.00 0.00 178.83 179.47 1qlk h TYR 17 N -0.15 0.85 -0.89 2.96 0.05 -1.43 -3.15 116.97 115.22 1qlk h TYR 17 Ca -0.01 -0.29 0.01 0.00 0.05 0.00 0.00 58.73 58.48 1qlk h TYR 17 Cb 0.12 -0.16 -0.04 0.00 1.01 0.00 0.00 36.73 37.65 1qlk h TYR 17 CO -0.06 1.06 0.58 0.77 -1.05 0.00 0.00 178.16 179.46 1qlk h SER 18 N 0.53 1.02 0.00 3.88 0.02 -0.26 -1.20 113.55 117.55 1qlk h SER 18 Ca 0.02 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1qlk h SER 18 Cb 1.09 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.37 1qlk h SER 18 CO 0.11 0.74 0.00 0.61 -1.14 0.00 0.00 176.83 177.15 1qlk n GLY 19 N -1.33 1.11 0.21 -3.77 0.00 -0.67 -4.04 105.19 96.70 1qlk n GLY 19 Ca 0.10 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.05 1qlk n GLY 19 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1qlk h ARG 20 N 0.22 0.67 -1.08 1.61 2.43 -1.32 -3.44 114.38 113.48 1qlk h ARG 20 Ca 0.00 -0.04 0.14 0.00 -0.81 0.00 0.00 59.98 59.27 1qlk h ARG 20 Cb 0.38 -0.15 -0.21 0.00 -0.42 0.00 0.00 29.97 29.56 1qlk h ARG 20 CO 0.00 0.44 -0.05 -2.00 -1.51 0.00 0.00 179.97 176.86 1qlk s GLU 21 N -6.15 0.43 -1.16 0.20 2.12 -1.26 -4.97 118.70 107.91 1qlk s GLU 21 Ca -0.13 0.91 -0.13 0.00 0.36 0.00 0.00 54.97 55.98 1qlk s GLU 21 Cb 0.12 0.53 0.13 0.00 0.26 0.00 0.00 34.13 35.17 1qlk s GLU 21 CO 0.74 -0.33 0.32 0.41 -0.54 0.00 0.00 175.26 175.86 1qlk n GLY 22 N 5.34 -0.23 2.54 -1.50 0.00 -1.26 -4.82 105.19 105.26 1qlk n GLY 22 Ca -0.06 0.05 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 1qlk n GLY 22 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1qlk s ASP 23 N -2.65 1.26 -0.16 1.61 1.01 -1.26 -4.99 116.67 111.49 1qlk s ASP 23 Ca 0.45 -2.40 -0.07 0.00 0.71 0.00 0.00 52.55 51.24 1qlk s ASP 23 Cb -0.26 0.11 -0.23 0.00 1.01 0.00 0.00 42.92 43.55 1qlk s ASP 23 CO 0.65 -0.20 0.20 0.29 0.21 0.00 0.00 175.17 176.32 1qlk n LYS 24 N 3.39 0.71 -0.33 8.23 4.76 -1.26 -3.94 118.16 129.71 1qlk n LYS 24 Ca 0.21 0.28 0.08 0.00 -2.87 0.00 0.00 58.31 56.00 1qlk n LYS 24 Cb 0.46 -1.67 0.21 0.00 -1.84 0.00 0.00 35.03 32.20 1qlk n LYS 24 CO 0.00 0.00 0.00 -2.39 -1.37 0.00 0.00 177.40 173.64 1qlk n HIS 25 N -3.58 0.72 -3.92 2.13 1.44 -1.26 -4.89 115.22 105.87 1qlk n HIS 25 Ca -0.36 -0.78 -0.11 0.00 -2.01 0.00 0.00 57.72 54.47 1qlk n HIS 25 Cb 0.99 -0.22 -0.12 0.00 0.12 0.00 0.00 29.99 30.76 1qlk n HIS 25 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 1qlk s LYS 26 N -2.30 0.17 -0.08 -1.40 1.02 -1.26 -4.42 119.74 111.47 1qlk s LYS 26 Ca 0.35 -0.28 0.03 0.00 0.02 0.00 0.00 55.97 56.09 1qlk s LYS 26 Cb 0.27 0.06 0.01 0.00 -0.52 0.00 0.00 37.83 37.65 1qlk s LYS 26 CO 0.10 -0.03 -0.17 -1.17 -0.92 0.00 0.00 175.35 173.16 1qlk s LEU 27 N -0.71 1.83 0.00 3.17 2.96 -0.79 -4.80 118.68 120.33 1qlk s LEU 27 Ca -0.08 -0.42 0.03 0.00 -0.22 0.00 0.00 54.13 53.45 1qlk s LEU 27 Cb -0.05 -1.09 0.03 0.00 0.50 0.00 0.00 46.19 45.59 1qlk s LEU 27 CO -0.00 0.08 0.28 2.29 -1.32 0.00 0.00 176.35 177.68 1qlk n LYS 28 N 3.75 0.90 -0.38 1.98 2.85 -1.26 -3.13 118.16 122.87 1qlk n LYS 28 Ca -0.21 -2.57 -0.02 0.00 -1.05 0.00 0.00 58.31 54.46 1qlk n LYS 28 Cb 0.52 0.31 0.11 0.00 -0.65 0.00 0.00 35.03 35.32 1qlk n LYS 28 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 177.40 178.22 1qlk h LYS 29 N 0.00 1.32 -0.79 -1.58 1.57 -1.99 -2.29 116.57 112.82 1qlk h LYS 29 Ca -0.26 -0.08 0.01 0.00 -1.87 0.00 0.00 60.65 58.44 1qlk h LYS 29 Cb 0.95 -0.30 -0.04 0.00 0.08 0.00 0.00 32.23 32.92 1qlk h LYS 29 CO 0.41 0.88 0.52 0.77 -0.57 0.00 0.00 179.45 181.46 1qlk h SER 30 N 1.36 0.91 -0.19 0.86 0.02 -2.00 -1.58 113.55 112.93 1qlk h SER 30 Ca 0.37 -0.03 -0.21 0.00 -0.84 0.00 0.00 61.79 61.08 1qlk h SER 30 Cb -0.16 -0.23 0.01 0.00 0.14 0.00 0.00 62.40 62.16 1qlk h SER 30 CO -0.08 0.66 -0.69 -0.33 -1.14 0.00 0.00 176.83 175.25 1qlk h GLU 31 N 1.07 0.82 -0.90 3.45 5.08 -1.92 -3.08 114.58 119.11 1qlk h GLU 31 Ca 0.29 -0.61 0.01 0.00 -1.00 0.00 0.00 59.36 58.05 1qlk h GLU 31 Cb -0.12 0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.19 1qlk h GLU 31 CO -0.06 1.23 0.60 1.25 -1.00 0.00 0.00 179.01 181.02 1qlk h LEU 32 N 0.59 1.04 -0.82 1.33 5.85 -1.10 -2.35 115.31 119.84 1qlk h LEU 32 Ca -0.03 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.65 1qlk h LEU 32 Cb 1.31 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 42.04 1qlk h LEU 32 CO 0.15 0.75 0.43 0.50 -0.34 0.00 0.00 178.44 179.92 1qlk h LYS 33 N 1.22 1.16 -0.62 1.25 3.64 -1.28 -2.72 116.57 119.23 1qlk h LYS 33 Ca 0.33 -0.15 -0.10 0.00 -1.27 0.00 0.00 60.65 59.46 1qlk h LYS 33 Cb -0.14 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 31.44 1qlk h LYS 33 CO -0.07 0.87 0.01 1.49 -2.27 0.00 0.00 179.45 179.48 1qlk h GLU 34 N 1.16 1.09 -0.58 1.90 4.81 -1.34 -2.74 114.58 118.87 1qlk h GLU 34 Ca 0.29 -0.34 -0.11 0.00 -0.13 0.00 0.00 59.36 59.07 1qlk h GLU 34 Cb 0.07 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 1qlk h GLU 34 CO -0.04 1.05 -0.06 -0.07 -0.73 0.00 0.00 179.01 179.16 1qlk h LEU 35 N 1.00 1.06 -0.62 1.64 3.38 -1.31 -1.37 115.31 119.08 1qlk h LEU 35 Ca 0.18 -0.33 -0.10 0.00 0.09 0.00 0.00 57.88 57.72 1qlk h LEU 35 Cb 0.56 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1qlk h LEU 35 CO 0.03 1.13 -0.01 0.40 0.09 0.00 0.00 178.44 180.08 1qlk h ILE 36 N 0.96 1.27 0.00 1.22 2.04 -1.41 -2.84 117.51 118.75 1qlk h ILE 36 Ca 0.16 -1.17 0.00 0.00 1.00 0.00 0.00 64.86 64.85 1qlk h ILE 36 Cb 0.63 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 1qlk h ILE 36 CO 0.04 0.42 0.00 -1.13 0.00 0.00 0.00 178.15 177.49 1qlk h ASN 37 N 0.98 0.00 0.71 1.72 -0.00 -1.41 -0.47 115.58 117.10 1qlk h ASN 37 Ca 0.17 0.00 -0.03 0.00 -0.00 0.00 0.00 56.30 56.44 1qlk h ASN 37 Cb 0.57 0.00 0.01 0.00 -0.00 0.00 0.00 38.32 38.90 1qlk h ASN 37 CO 0.03 0.00 -0.34 -1.13 -0.00 0.00 0.00 177.43 175.99 1qlk h ASN 38 N 0.00 -0.80 0.00 1.15 -1.24 -0.99 -3.43 115.58 110.27 1qlk h ASN 38 Ca 0.00 0.02 -0.04 0.00 0.71 0.00 0.00 56.30 56.99 1qlk h ASN 38 Cb 0.93 0.21 -0.07 0.00 0.73 0.00 0.00 38.32 40.12 1qlk h ASN 38 CO 0.00 -0.42 -0.37 -1.84 -1.29 0.00 0.00 177.43 173.51 1qlk n GLU 39 N -5.41 0.00 -0.15 6.67 0.00 -1.23 -4.88 120.64 115.64 1qlk n GLU 39 Ca -0.12 -0.78 0.04 0.00 0.00 0.00 0.00 57.16 56.30 1qlk n GLU 39 Cb 0.38 -0.13 0.05 0.00 0.00 0.00 0.00 31.44 31.74 1qlk n GLU 39 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1qlk n LEU 40 N 0.07 1.36 -0.01 -1.84 4.77 -1.04 -4.77 117.00 115.54 1qlk n LEU 40 Ca -0.03 -1.89 -0.08 0.00 -0.03 0.00 0.00 56.01 53.99 1qlk n LEU 40 Cb 0.69 -0.17 0.09 0.00 -2.33 0.00 0.00 43.42 41.70 1qlk n LEU 40 CO -0.02 0.45 0.56 0.77 -1.33 0.00 0.00 177.39 177.82 1qlk h SER 41 N 0.00 0.62 -0.92 -1.43 4.64 -1.37 -3.16 113.55 111.94 1qlk h SER 41 Ca 0.00 -0.29 -0.01 0.00 -0.47 0.00 0.00 61.79 61.01 1qlk h SER 41 Cb 0.98 -0.18 -0.04 0.00 -0.31 0.00 0.00 62.40 62.85 1qlk h SER 41 CO 0.00 0.98 0.52 0.45 -0.87 0.00 0.00 176.83 177.91 1qlk h HIS 42 N 0.47 1.24 -0.26 4.77 3.86 -1.87 0.37 115.15 123.73 1qlk h HIS 42 Ca 0.03 -0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.22 1qlk h HIS 42 Cb 0.96 -0.40 -0.01 0.00 1.06 0.00 0.00 27.41 29.02 1qlk h HIS 42 CO 0.04 0.85 0.14 0.74 0.86 0.00 0.00 177.93 180.56 1qlk h PHE 43 N 1.28 0.36 0.00 2.45 -1.00 -1.90 -3.38 116.94 114.74 1qlk h PHE 43 Ca 0.32 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 61.10 1qlk h PHE 43 Cb 0.00 -0.11 0.00 0.00 3.61 0.00 0.00 35.95 39.45 1qlk h PHE 43 CO 0.01 0.31 0.00 1.28 -1.61 0.00 0.00 178.31 178.29 1qlk n LEU 44 N -4.84 0.17 0.00 1.54 4.77 -1.12 -4.91 117.00 112.62 1qlk n LEU 44 Ca -0.02 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 1qlk n LEU 44 Cb 0.08 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.76 1qlk n LEU 44 CO 0.35 -0.41 0.00 1.21 -1.33 0.00 0.00 177.39 177.21 1qlk n GLU 45 N -2.13 -0.61 0.00 3.23 0.00 0.13 -4.73 120.64 116.52 1qlk n GLU 45 Ca 0.00 0.15 0.13 0.00 0.00 0.00 0.00 57.16 57.44 1qlk n GLU 45 Cb 0.00 -4.32 0.31 0.00 0.00 0.00 0.00 31.44 27.43 1qlk n GLU 45 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1qlk n GLU 46 N -1.15 1.67 -2.68 5.31 0.00 -1.26 -4.89 120.64 117.64 1qlk n GLU 46 Ca 0.00 -1.18 -0.42 0.00 0.00 0.00 0.00 57.16 55.56 1qlk n GLU 46 Cb 0.15 -1.48 -0.03 0.00 0.00 0.00 0.00 31.44 30.09 1qlk n GLU 46 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 1qlk s ILE 47 N -2.14 4.78 0.00 6.31 -1.09 -1.26 -4.77 121.20 123.02 1qlk s ILE 47 Ca 0.30 2.00 0.00 0.00 -2.23 0.00 0.00 60.65 60.72 1qlk s ILE 47 Cb 0.20 -4.28 0.00 0.00 -1.58 0.00 0.00 42.46 36.80 1qlk s ILE 47 CO 0.39 0.14 0.00 1.17 -1.23 0.00 0.00 174.94 175.41 1qlk n LYS 48 N 4.00 0.00 -4.29 2.79 0.00 -1.26 -5.11 118.16 114.28 1qlk n LYS 48 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 58.31 58.05 1qlk n LYS 48 Cb 0.50 -0.16 -0.09 0.00 0.00 0.00 0.00 35.03 35.28 1qlk n LYS 48 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1qlk s GLU 49 N -1.00 2.76 0.38 1.64 2.02 -1.26 -5.01 118.70 118.23 1qlk s GLU 49 Ca 0.00 -0.63 0.15 0.00 0.02 0.00 0.00 54.97 54.51 1qlk s GLU 49 Cb 0.00 -2.65 0.78 0.00 0.10 0.00 0.00 34.13 32.36 1qlk s GLU 49 CO 0.00 0.62 1.83 1.96 0.02 0.00 0.00 175.26 179.69 1qlk h GLN 50 N 4.32 0.00 -1.01 1.61 1.08 -2.02 -2.93 115.11 116.17 1qlk h GLN 50 Ca -0.49 0.00 0.01 0.00 -1.45 0.00 0.00 58.65 56.72 1qlk h GLN 50 Cb 1.17 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 28.56 1qlk h GLN 50 CO 0.57 0.35 0.67 1.49 -0.95 0.00 0.00 178.83 180.96 1qlk h GLU 51 N 0.00 1.33 -0.86 1.46 4.81 -2.01 -2.37 114.58 116.94 1qlk h GLU 51 Ca -0.00 -0.08 0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1qlk h GLU 51 Cb 0.67 -0.30 -0.04 0.00 0.63 0.00 0.00 28.75 29.71 1qlk h GLU 51 CO 0.05 0.88 0.57 0.28 -0.73 0.00 0.00 179.01 180.06 1qlk h VAL 52 N 1.37 1.22 -0.87 0.32 2.07 -1.94 -2.18 116.25 116.23 1qlk h VAL 52 Ca 0.37 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 1qlk h VAL 52 Cb -0.16 -0.05 -0.04 0.00 -1.52 0.00 0.00 31.29 29.52 1qlk h VAL 52 CO -0.08 0.21 0.52 0.58 0.02 0.00 0.00 177.57 178.83 1qlk h VAL 53 N 1.17 1.24 -0.73 2.57 2.07 -1.53 -2.33 116.25 118.72 1qlk h VAL 53 Ca 0.32 -0.53 -0.03 0.00 0.82 0.00 0.00 66.70 67.28 1qlk h VAL 53 Cb -0.13 0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 29.62 1qlk h VAL 53 CO -0.07 0.25 0.36 0.44 0.02 0.00 0.00 177.57 178.57 1qlk h ASP 54 N 1.20 0.95 -0.79 0.57 3.32 -1.22 -2.71 116.42 117.74 1qlk h ASP 54 Ca 0.31 -0.13 -0.05 0.00 0.02 0.00 0.00 57.03 57.18 1qlk h ASP 54 Cb -0.05 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.23 1qlk h ASP 54 CO -0.06 0.81 0.30 0.50 -1.72 0.00 0.00 179.24 179.07 1qlk h LYS 55 N 1.02 1.19 -0.84 3.56 3.64 -0.99 -2.79 116.57 121.36 1qlk h LYS 55 Ca 0.25 -0.22 -0.02 0.00 -1.27 0.00 0.00 60.65 59.39 1qlk h LYS 55 Cb 0.11 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 31.70 1qlk h LYS 55 CO -0.03 0.97 0.45 0.28 -2.27 0.00 0.00 179.45 178.85 1qlk h VAL 56 N 1.15 1.25 -0.80 2.00 2.07 -1.13 -2.50 116.25 118.28 1qlk h VAL 56 Ca 0.26 -0.62 -0.05 0.00 0.82 0.00 0.00 66.70 67.12 1qlk h VAL 56 Cb 0.24 0.13 -0.04 0.00 -1.52 0.00 0.00 31.29 30.10 1qlk h VAL 56 CO -0.02 0.28 0.32 0.24 0.02 0.00 0.00 177.57 178.41 1qlk h MET 57 N 1.17 1.19 -0.54 1.57 2.86 -1.25 -1.98 114.93 117.95 1qlk h MET 57 Ca 0.29 -0.22 -0.12 0.00 -2.06 0.00 0.00 59.70 57.60 1qlk h MET 57 Cb 0.04 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.49 1qlk h MET 57 CO -0.05 0.96 -0.13 1.49 1.06 0.00 0.00 176.91 180.25 1qlk h GLU 58 N 1.16 1.04 -0.48 1.72 4.22 -1.30 -2.80 114.58 118.15 1qlk h GLU 58 Ca 0.27 -0.40 -0.14 0.00 0.08 0.00 0.00 59.36 59.18 1qlk h GLU 58 Cb 0.21 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1qlk h GLU 58 CO -0.02 1.09 -0.23 1.15 -2.18 0.00 0.00 179.01 178.81 1qlk h THR 59 N 0.92 1.27 0.00 0.32 2.02 -1.26 -2.72 112.91 113.46 1qlk h THR 59 Ca 0.14 -1.40 -0.00 0.00 0.77 0.00 0.00 66.41 65.91 1qlk h THR 59 Cb 0.70 1.14 -0.00 0.00 -1.74 0.00 0.00 68.15 68.25 1qlk h THR 59 CO 0.05 0.48 -0.01 0.25 0.37 0.00 0.00 175.52 176.67 1qlk h LEU 60 N 0.86 0.00 -7.97 2.58 5.85 -1.31 -3.38 115.31 111.95 1qlk h LEU 60 Ca 0.11 0.00 -0.47 0.00 0.84 0.00 0.00 57.88 58.36 1qlk h LEU 60 Cb 0.82 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.79 1qlk h LEU 60 CO 0.07 0.01 1.47 -0.62 -0.34 0.00 0.00 178.44 179.03 1qlk s ASP 61 N -5.58 5.76 0.18 1.25 2.15 -1.03 -4.64 116.67 114.77 1qlk s ASP 61 Ca -0.01 -1.85 0.19 0.00 0.43 0.00 0.00 52.55 51.32 1qlk s ASP 61 Cb 0.10 -2.58 -0.01 0.00 -0.30 0.00 0.00 42.92 40.12 1qlk s ASP 61 CO 0.51 -2.29 1.07 -0.33 -0.17 0.00 0.00 175.17 173.96 1qlk h GLU 62 N 9.11 0.00 -0.00 4.34 5.08 -1.85 -3.28 114.58 127.97 1qlk h GLU 62 Ca 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 1qlk h GLU 62 Cb 0.92 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.17 1qlk h GLU 62 CO 1.32 0.19 -0.03 -0.40 -1.00 0.00 0.00 179.01 179.08 1qlk n ASP 63 N -2.88 0.28 -1.34 1.42 5.75 -1.26 -4.89 116.55 113.63 1qlk n ASP 63 Ca -0.03 -0.71 -0.11 0.00 -0.01 0.00 0.00 54.79 53.93 1qlk n ASP 63 Cb 0.69 -0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.69 1qlk n ASP 63 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1qlk n GLY 64 N 1.17 -0.05 0.12 6.12 0.00 -1.24 -4.92 105.19 106.39 1qlk n GLY 64 Ca 0.18 -0.40 -0.16 0.00 0.00 0.00 0.00 46.02 45.64 1qlk n GLY 64 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1qlk n ASP 65 N -0.17 1.55 0.00 1.61 2.03 -1.26 -4.99 116.55 115.33 1qlk n ASP 65 Ca -0.11 0.12 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1qlk n ASP 65 Cb 0.59 -0.32 0.00 0.00 -0.72 0.00 0.00 41.12 40.67 1qlk n ASP 65 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1qlk n GLY 66 N 1.96 0.94 3.18 0.27 0.00 -1.26 -5.03 105.19 105.24 1qlk n GLY 66 Ca -0.33 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.56 1qlk n GLY 66 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qlk s GLU 67 N -0.51 0.86 -0.49 1.61 0.41 -1.26 -4.98 118.70 114.34 1qlk s GLU 67 Ca 0.00 -1.26 -0.21 0.00 -0.41 0.00 0.00 54.97 53.10 1qlk s GLU 67 Cb 0.00 -0.40 0.04 0.00 -1.78 0.00 0.00 34.13 31.99 1qlk s GLU 67 CO 0.00 0.04 0.68 0.00 -0.49 0.00 0.00 175.26 175.49 1qlk s ASP 69 N 2.43 5.25 0.25 0.00 1.01 -1.26 -1.89 116.67 122.46 1qlk s ASP 69 Ca 0.20 0.32 -0.06 0.00 0.71 0.00 0.00 52.55 53.72 1qlk s ASP 69 Cb -0.16 -1.19 0.26 0.00 1.01 0.00 0.00 42.92 42.85 1qlk s ASP 69 CO 0.16 -1.23 1.93 0.15 0.21 0.00 0.00 175.17 176.39 1qlk h PHE 70 N -0.16 1.27 -0.03 4.23 3.57 -1.97 -0.80 116.94 123.05 1qlk h PHE 70 Ca -0.44 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.09 1qlk h PHE 70 Cb 1.29 -0.43 -0.00 0.00 2.79 0.00 0.00 35.95 39.60 1qlk h PHE 70 CO 0.39 0.80 0.02 0.37 -2.23 0.00 0.00 178.31 177.66 1qlk h GLN 71 N 1.37 0.04 0.00 1.11 4.15 -1.95 -2.22 115.11 117.60 1qlk h GLN 71 Ca 0.37 -0.00 -0.07 0.00 0.77 0.00 0.00 58.65 59.72 1qlk h GLN 71 Cb -0.15 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.52 1qlk h GLN 71 CO -0.08 0.03 -0.34 0.93 -1.93 0.00 0.00 178.83 177.44 1qlk h GLU 72 N 0.04 0.00 -0.31 1.69 5.08 -1.89 -3.09 114.58 116.10 1qlk h GLU 72 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1qlk h GLU 72 Cb -0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1qlk h GLU 72 CO -0.00 0.34 0.21 0.35 -1.00 0.00 0.00 179.01 178.90 1qlk h PHE 73 N 0.00 0.39 -0.93 4.33 3.57 -0.54 -1.96 116.94 121.80 1qlk h PHE 73 Ca -0.00 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.51 1qlk h PHE 73 Cb 0.76 -0.13 -0.05 0.00 2.79 0.00 0.00 35.95 39.32 1qlk h PHE 73 CO 0.00 0.25 0.62 0.52 -2.23 0.00 0.00 178.31 177.47 1qlk h MET 74 N 0.42 1.22 -0.65 1.11 2.86 -1.40 -1.51 114.93 116.99 1qlk h MET 74 Ca 0.11 -0.07 0.01 0.00 -2.06 0.00 0.00 59.70 57.70 1qlk h MET 74 Cb -0.05 -0.28 -0.03 0.00 0.06 0.00 0.00 31.60 31.30 1qlk h MET 74 CO -0.02 0.81 0.43 0.00 1.06 0.00 0.00 176.91 179.18 1qlk h ALA 75 N 1.42 1.57 -0.84 6.32 0.00 -1.39 -1.78 119.26 124.56 1qlk h ALA 75 Ca 0.34 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.22 1qlk h ALA 75 Cb -0.15 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.35 1qlk h ALA 75 CO -0.07 0.39 0.55 0.35 0.00 0.00 0.00 179.25 180.47 1qlk h PHE 76 N 0.85 1.06 -0.91 0.00 3.57 -0.67 -0.83 116.94 120.02 1qlk h PHE 76 Ca 0.24 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.78 1qlk h PHE 76 Cb -0.05 -0.36 -0.05 0.00 2.79 0.00 0.00 35.95 38.29 1qlk h PHE 76 CO -0.00 0.67 0.60 0.28 -2.23 0.00 0.00 178.31 177.64 1qlk h VAL 77 N 1.14 1.23 -0.30 1.41 2.07 -1.26 -1.41 116.25 119.14 1qlk h VAL 77 Ca 0.31 -0.42 -0.02 0.00 0.82 0.00 0.00 66.70 67.38 1qlk h VAL 77 Cb -0.13 -0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 29.52 1qlk h VAL 77 CO -0.07 0.23 0.11 -1.28 0.02 0.00 0.00 177.57 176.58 1qlk h SER 78 N 1.23 0.42 -0.97 0.57 0.87 -1.02 0.33 113.55 114.99 1qlk h SER 78 Ca 0.33 -0.19 0.01 0.00 -1.23 0.00 0.00 61.79 60.71 1qlk h SER 78 Cb -0.14 -0.11 -0.05 0.00 -0.44 0.00 0.00 62.40 61.66 1qlk h SER 78 CO -0.07 0.50 0.63 0.24 -0.53 0.00 0.00 176.83 177.59 1qlk h MET 79 N 0.33 1.28 -0.42 2.24 2.07 -0.72 0.61 114.93 120.32 1qlk h MET 79 Ca 0.10 -0.09 -0.15 0.00 -2.07 0.00 0.00 59.70 57.49 1qlk h MET 79 Cb 0.21 -0.28 -0.01 0.00 -1.87 0.00 0.00 31.60 29.65 1qlk h MET 79 CO -0.01 0.86 -0.33 0.28 1.07 0.00 0.00 176.91 178.79 1qlk h VAL 80 N 1.32 1.27 -0.42 -2.22 2.07 -1.01 0.25 116.25 117.51 1qlk h VAL 80 Ca 0.35 -1.50 -0.05 0.00 0.82 0.00 0.00 66.70 66.32 1qlk h VAL 80 Cb -0.13 1.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 1qlk h VAL 80 CO -0.07 0.51 0.07 0.74 0.02 0.00 0.00 177.57 178.84 1qlk h THR 81 N 0.81 1.24 -0.34 2.57 2.02 -0.31 -1.64 112.91 117.26 1qlk h THR 81 Ca 0.08 -0.87 -0.17 0.00 0.77 0.00 0.00 66.41 66.22 1qlk h THR 81 Cb 0.92 1.00 -0.00 0.00 -1.74 0.00 0.00 68.15 68.33 1qlk h THR 81 CO 0.09 0.30 -0.46 0.71 0.37 0.00 0.00 175.52 176.52 1qlk h THR 82 N 0.54 1.27 -0.24 3.16 1.35 -0.83 -3.19 112.91 114.97 1qlk h THR 82 Ca 0.13 -1.64 0.00 0.00 -0.55 0.00 0.00 66.41 64.35 1qlk h THR 82 Cb 0.37 1.49 -0.01 0.00 -1.73 0.00 0.00 68.15 68.26 1qlk h THR 82 CO 0.01 0.54 0.16 0.00 -0.25 0.00 0.00 175.52 175.98 1qlk h ALA 83 N 0.73 0.30 -1.78 6.62 0.00 -0.82 -3.38 119.26 120.94 1qlk h ALA 83 Ca 0.04 -0.02 -0.57 0.00 0.00 0.00 0.00 54.91 54.37 1qlk h ALA 83 Cb 1.07 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.69 1qlk h ALA 83 CO 0.11 -0.23 0.87 0.00 0.00 0.00 0.00 179.25 180.00 1qlk n HIS 85 N 7.62 0.00 0.21 0.00 1.44 -1.26 -4.72 115.22 118.50 1qlk n HIS 85 Ca 0.11 -1.35 0.07 0.00 -2.01 0.00 0.00 57.72 54.55 1qlk n HIS 85 Cb 0.49 -0.23 0.43 0.00 0.12 0.00 0.00 29.99 30.80 1qlk n HIS 85 CO 0.00 0.00 0.00 1.49 -2.81 0.00 0.00 176.34 175.02 1qlk h GLU 86 N 0.84 0.00 -5.07 -1.40 4.81 -1.95 -3.48 114.58 108.33 1qlk h GLU 86 Ca -0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1qlk h GLU 86 Cb 1.06 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.42 1qlk h GLU 86 CO 0.01 0.31 -0.35 1.97 -0.73 0.00 0.00 179.01 180.21 1qlk n PHE 87 N -3.61 -1.25 -2.80 0.92 -1.74 -1.26 -4.82 117.46 102.89 1qlk n PHE 87 Ca -0.01 0.73 -0.42 0.00 -0.56 0.00 0.00 57.45 57.20 1qlk n PHE 87 Cb 0.43 -1.77 -0.03 0.00 1.52 0.00 0.00 39.48 39.63 1qlk n PHE 87 CO 0.00 0.00 0.00 -0.06 -0.56 0.00 0.00 176.76 176.14 1qlk s PHE 88 N -0.17 3.40 -0.50 2.97 0.08 -1.26 -5.00 117.98 117.50 1qlk s PHE 88 Ca -0.04 1.34 -0.17 0.00 0.12 0.00 0.00 56.93 58.18 1qlk s PHE 88 Cb 0.00 -3.11 0.07 0.00 -0.57 0.00 0.00 43.02 39.42 1qlk s PHE 88 CO 0.11 -0.32 0.50 -2.00 -0.10 0.00 0.00 175.22 173.41 1qlk s GLU 89 N 2.50 3.03 0.50 0.44 2.56 -1.26 -5.05 118.70 121.42 1qlk s GLU 89 Ca 0.41 -1.23 -0.20 0.00 0.00 0.00 0.00 54.97 53.95 1qlk s GLU 89 Cb -0.16 -4.15 -0.08 0.00 2.00 0.00 0.00 34.13 31.74 1qlk s GLU 89 CO 0.11 -1.16 1.06 -1.01 -0.56 0.00 0.00 175.26 173.70 1qlk s HIS 90 N 2.04 2.92 -2.16 5.30 3.76 -1.26 -5.34 115.29 120.55 1qlk s HIS 90 Ca 0.08 1.57 0.31 0.00 -0.15 0.00 0.00 55.06 56.87 1qlk s HIS 90 Cb -0.23 -3.13 1.63 0.00 1.11 0.00 0.00 32.58 31.97 1qlk s HIS 90 CO 0.08 -1.01 2.07 0.39 -0.85 0.00 0.00 174.74 175.42