#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qhk h GLU 9 N 0.00 0.37 -0.01 0.00 4.81 -2.05 -0.50 114.58 117.20 2qhk h GLU 9 Ca 0.00 -0.20 -0.10 0.00 -0.13 0.00 0.00 59.36 58.93 2qhk h GLU 9 Cb 0.00 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 2qhk h GLU 9 CO 0.00 0.76 -0.44 1.25 -0.73 0.00 0.00 179.01 179.85 2qhk h LEU 10 N 0.00 0.03 -0.41 1.64 6.46 -2.05 -0.76 115.31 120.22 2qhk h LEU 10 Ca 0.02 -0.01 -0.10 0.00 -0.12 0.00 0.00 57.88 57.67 2qhk h LEU 10 Cb 0.70 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.61 2qhk h LEU 10 CO 0.04 0.47 -0.12 0.58 -0.62 0.00 0.00 178.44 178.80 2qhk h VAL 11 N 0.03 1.28 -0.37 1.05 2.07 -1.99 -2.68 116.25 115.63 2qhk h VAL 11 Ca -0.00 -1.22 -0.03 0.00 0.82 0.00 0.00 66.70 66.26 2qhk h VAL 11 Cb 0.80 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 31.78 2qhk h VAL 11 CO 0.06 0.41 0.10 -0.09 0.02 0.00 0.00 177.57 178.07 2qhk h ARG 12 N 0.61 0.59 -0.79 1.57 9.65 -0.57 -1.85 114.38 123.58 2qhk h ARG 12 Ca 0.10 -0.13 -0.02 0.00 -1.10 0.00 0.00 59.98 58.83 2qhk h ARG 12 Cb 0.65 -0.08 -0.04 0.00 -1.39 0.00 0.00 29.97 29.11 2qhk h ARG 12 CO 0.04 0.61 0.42 -0.44 2.80 0.00 0.00 179.97 183.41 2qhk h ASP 13 N 0.45 1.00 -0.36 -3.80 5.19 -1.20 -0.73 116.42 116.96 2qhk h ASP 13 Ca 0.12 -0.09 -0.03 0.00 -0.62 0.00 0.00 57.03 56.41 2qhk h ASP 13 Cb 0.28 -0.25 -0.02 0.00 0.18 0.00 0.00 39.33 39.52 2qhk h ASP 13 CO -0.00 0.81 0.12 -0.09 -3.12 0.00 0.00 179.24 176.96 2qhk h ARG 14 N 1.11 0.56 -0.42 3.56 2.43 -1.30 -1.89 114.38 118.43 2qhk h ARG 14 Ca 0.28 -0.12 -0.07 0.00 -0.81 0.00 0.00 59.98 59.26 2qhk h ARG 14 Cb 0.05 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 2qhk h ARG 14 CO -0.04 0.57 -0.02 0.37 -1.51 0.00 0.00 179.97 179.34 2qhk h GLN 15 N 0.43 0.68 -0.65 0.20 5.75 -0.99 -0.95 115.11 119.58 2qhk h GLN 15 Ca 0.12 -0.18 -0.01 0.00 -0.15 0.00 0.00 58.65 58.43 2qhk h GLN 15 Cb 0.24 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 28.68 2qhk h GLN 15 CO -0.00 0.71 0.35 0.93 -2.65 0.00 0.00 178.83 178.17 2qhk h GLU 16 N 0.64 0.91 -0.44 1.69 5.08 -1.02 -0.80 114.58 120.65 2qhk h GLU 16 Ca 0.13 -0.11 -0.05 0.00 -1.00 0.00 0.00 59.36 58.33 2qhk h GLU 16 Cb 0.43 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 2qhk h GLU 16 CO 0.02 0.70 0.09 -0.07 -1.00 0.00 0.00 179.01 178.75 2qhk h LEU 17 N 0.89 0.68 0.26 1.33 3.38 -0.88 -1.98 115.31 119.00 2qhk h LEU 17 Ca 0.23 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 2qhk h LEU 17 Cb 0.05 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 2qhk h LEU 17 CO -0.04 0.75 -0.23 0.40 0.09 0.00 0.00 178.44 179.42 2qhk h ILE 18 N 0.58 0.51 -0.84 1.22 1.08 -1.05 -2.06 117.51 116.95 2qhk h ILE 18 Ca 0.14 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.65 2qhk h ILE 18 Cb 0.34 0.51 -0.05 0.00 -3.07 0.00 0.00 36.82 34.56 2qhk h ILE 18 CO 0.00 0.00 0.55 0.44 -0.69 0.00 0.00 178.15 178.45 2qhk h ASP 19 N -0.51 0.88 -0.69 1.72 3.32 -1.10 0.15 116.42 120.18 2qhk h ASP 19 Ca -0.01 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.00 2qhk h ASP 19 Cb 0.46 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.78 2qhk h ASP 19 CO -0.03 0.59 0.31 0.00 -1.72 0.00 0.00 179.24 178.39 2qhk h ALA 20 N 1.52 0.90 -0.34 3.45 0.00 -1.25 -2.31 119.26 121.22 2qhk h ALA 20 Ca 0.34 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 2qhk h ALA 20 Cb 0.08 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2qhk h ALA 20 CO -0.11 0.49 -0.19 0.00 0.00 0.00 0.00 179.25 179.44 2qhk h ARG 21 N 0.98 0.62 -0.71 0.00 2.47 -0.48 -2.14 114.38 115.12 2qhk h ARG 21 Ca 0.24 -0.22 -0.07 0.00 -1.26 0.00 0.00 59.98 58.67 2qhk h ARG 21 Cb 0.16 -0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 28.41 2qhk h ARG 21 CO -0.03 0.77 0.18 0.87 0.56 0.00 0.00 179.97 182.33 2qhk h LYS 22 N 0.56 1.13 -0.47 0.04 1.57 -0.82 0.10 116.57 118.67 2qhk h LYS 22 Ca 0.09 -0.26 -0.00 0.00 -1.87 0.00 0.00 60.65 58.60 2qhk h LYS 22 Cb 0.63 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 2qhk h LYS 22 CO 0.04 0.98 0.28 -0.22 -0.57 0.00 0.00 179.45 179.97 2qhk h LYS 23 N 1.07 0.64 -0.39 3.15 3.64 -1.19 -2.07 116.57 121.43 2qhk h LYS 23 Ca 0.22 -0.06 0.02 0.00 -1.27 0.00 0.00 60.65 59.57 2qhk h LYS 23 Cb 0.36 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.02 2qhk h LYS 23 CO 0.00 0.47 0.21 0.93 -2.27 0.00 0.00 179.45 178.80 2qhk h GLU 24 N 0.62 0.42 -0.67 1.90 5.08 -1.09 -2.61 114.58 118.23 2qhk h GLU 24 Ca 0.17 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.55 2qhk h GLU 24 Cb 0.00 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.11 2qhk h GLU 24 CO -0.03 0.28 0.38 -0.07 -1.00 0.00 0.00 179.01 178.57 2qhk h LEU 25 N 0.44 0.58 -1.16 1.33 3.38 -0.70 0.32 115.31 119.50 2qhk h LEU 25 Ca 0.16 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 2qhk h LEU 25 Cb 0.03 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 2qhk h LEU 25 CO -0.09 0.38 0.31 0.11 0.09 0.00 0.00 178.44 179.24 2qhk h LYS 26 N 0.71 0.90 0.04 1.13 1.57 -1.16 -3.03 116.57 116.73 2qhk h LYS 26 Ca 0.29 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.96 2qhk h LYS 26 Cb 0.16 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.29 2qhk h LYS 26 CO -0.17 0.69 -0.02 0.00 -0.57 0.00 0.00 179.45 179.39 2qhk h ALA 27 N 1.45 -0.05 -2.09 3.86 0.00 -0.95 -3.50 119.26 117.97 2qhk h ALA 27 Ca 0.22 -0.13 -0.59 0.00 0.00 0.00 0.00 54.91 54.42 2qhk h ALA 27 Cb 0.08 0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.91 2qhk h ALA 27 CO -0.03 -0.40 1.21 0.66 0.00 0.00 0.00 179.25 180.68 2qhk n TYR 28 N -4.99 2.33 0.00 0.00 4.01 0.02 -5.04 117.16 113.48 2qhk n TYR 28 Ca -0.08 -0.14 0.00 0.00 -0.16 0.00 0.00 57.90 57.52 2qhk n TYR 28 Cb 0.16 -2.72 0.00 0.00 -0.31 0.00 0.00 39.34 36.47 2qhk n TYR 28 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2qhk n GLY 32 N 4.71 3.47 0.34 2.72 0.00 -1.26 -5.04 105.19 110.13 2qhk n GLY 32 Ca 0.23 -1.01 -0.04 0.00 0.00 0.00 0.00 46.02 45.20 2qhk n GLY 32 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2qhk h VAL 33 N 0.00 1.25 0.02 1.61 2.07 -1.99 -2.92 116.25 116.29 2qhk h VAL 33 Ca 0.00 -0.62 -0.22 0.00 0.82 0.00 0.00 66.70 66.68 2qhk h VAL 33 Cb 0.00 0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 29.87 2qhk h VAL 33 CO 0.00 0.28 -0.95 0.71 0.02 0.00 0.00 177.57 177.63 2qhk h THR 34 N 1.19 1.46 -0.76 2.57 1.35 -1.99 -2.46 112.91 114.26 2qhk h THR 34 Ca 0.30 -2.60 0.09 0.00 -0.55 0.00 0.00 66.41 63.65 2qhk h THR 34 Cb 0.03 2.50 -0.05 0.00 -1.73 0.00 0.00 68.15 68.90 2qhk h THR 34 CO -0.05 0.77 0.50 0.00 -0.25 0.00 0.00 175.52 176.49 2qhk h ALA 35 N 0.83 1.76 -0.15 6.62 0.00 -1.97 -1.99 119.26 124.36 2qhk h ALA 35 Ca -0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2qhk h ALA 35 Cb 1.59 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.21 2qhk h ALA 35 CO 0.15 0.09 0.00 0.44 0.00 0.00 0.00 179.25 179.94 2qhk n ILE 36 N -4.50 0.16 -0.24 0.00 -5.35 -1.12 -4.61 119.36 103.72 2qhk n ILE 36 Ca 0.12 -0.54 0.00 0.00 -0.27 0.00 0.00 62.75 62.06 2qhk n ILE 36 Cb 0.30 1.20 0.12 0.00 -1.74 0.00 0.00 39.64 39.51 2qhk n ILE 36 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 2qhk h LYS 37 N 4.31 0.60 -0.67 6.28 3.64 -0.86 0.70 116.57 130.57 2qhk h LYS 37 Ca 0.00 -0.04 0.05 0.00 -1.27 0.00 0.00 60.65 59.39 2qhk h LYS 37 Cb 0.93 -0.14 -0.05 0.00 -0.41 0.00 0.00 32.23 32.56 2qhk h LYS 37 CO 0.00 0.40 0.39 -1.35 -2.27 0.00 0.00 179.45 176.62 2qhk h PRO 38 N 0.62 0.72 -0.23 1.90 0.11 -1.81 0.86 132.00 134.17 2qhk h PRO 38 Ca 0.33 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.37 2qhk h PRO 38 Cb 0.29 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.23 2qhk h PRO 38 CO -0.24 0.47 0.07 -0.07 -0.21 0.00 0.00 178.00 178.03 2qhk h LEU 39 N 0.74 0.33 -0.06 2.35 3.38 -1.73 -2.41 115.31 117.92 2qhk h LEU 39 Ca 0.29 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 2qhk h LEU 39 Cb 0.13 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 2qhk h LEU 39 CO -0.16 0.46 0.03 0.22 0.09 0.00 0.00 178.44 179.08 2qhk h TYR 40 N 0.20 0.08 -0.77 1.13 3.20 -0.54 -1.45 116.97 118.81 2qhk h TYR 40 Ca 0.07 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.91 2qhk h TYR 40 Cb 0.24 -0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.45 2qhk h TYR 40 CO 0.00 0.14 0.37 -0.44 -1.64 0.00 0.00 178.16 176.59 2qhk h ASP 41 N -0.01 1.00 -0.10 -2.11 3.32 -0.88 -3.00 116.42 114.64 2qhk h ASP 41 Ca 0.02 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.95 2qhk h ASP 41 Cb 0.09 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.38 2qhk h ASP 41 CO -0.00 0.85 0.00 -1.54 -1.72 0.00 0.00 179.24 176.82 2qhk n SER 42 N -4.32 1.84 -4.77 6.45 3.41 -0.91 -4.97 113.62 110.36 2qhk n SER 42 Ca 0.07 -1.66 -0.41 0.00 -0.26 0.00 0.00 58.87 56.62 2qhk n SER 42 Cb 0.14 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.03 2qhk n SER 42 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2qhk s ASP 43 N -1.79 6.25 -0.28 4.04 2.15 -0.56 -5.00 116.67 121.49 2qhk s ASP 43 Ca 0.35 2.97 0.03 0.00 0.43 0.00 0.00 52.55 56.33 2qhk s ASP 43 Cb 0.20 -2.66 0.07 0.00 -0.30 0.00 0.00 42.92 40.23 2qhk s ASP 43 CO 0.30 -0.93 -0.06 -0.69 -0.17 0.00 0.00 175.17 173.63 2qhk s VAL 44 N -1.15 2.04 -1.64 1.11 1.01 -1.26 -4.83 120.40 115.68 2qhk s VAL 44 Ca 0.55 -1.72 -0.11 0.00 0.00 0.00 0.00 61.98 60.69 2qhk s VAL 44 Cb -0.45 -2.27 0.10 0.00 0.00 0.00 0.00 36.38 33.77 2qhk s VAL 44 CO 0.60 -0.20 0.50 -3.20 0.00 0.00 0.00 175.10 172.80 2qhk n ASN 45 N 4.44 -1.43 0.00 3.32 5.15 -1.26 -1.86 115.26 123.63 2qhk n ASN 45 Ca -0.09 -1.11 0.00 0.00 -0.60 0.00 0.00 54.58 52.78 2qhk n ASN 45 Cb 0.42 -2.37 0.00 0.00 -0.53 0.00 0.00 39.78 37.30 2qhk n ASN 45 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2qhk n GLY 46 N -1.72 0.68 0.45 8.20 0.00 -1.26 -4.94 105.19 106.59 2qhk n GLY 46 Ca -0.09 0.00 0.27 0.00 0.00 0.00 0.00 46.02 46.19 2qhk n GLY 46 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2qhk h SER 47 N 0.00 0.25 -0.06 1.61 4.64 -1.74 -2.36 113.55 115.89 2qhk h SER 47 Ca 0.00 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 2qhk h SER 47 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2qhk h SER 47 CO 0.00 0.05 0.00 0.59 -0.87 0.00 0.00 176.83 176.60 2qhk n ASN 48 N -4.44 2.63 -0.22 4.97 3.02 -1.26 -4.51 115.26 115.45 2qhk n ASN 48 Ca 0.24 -1.80 -0.03 0.00 -0.03 0.00 0.00 54.58 52.96 2qhk n ASN 48 Cb 0.98 -0.02 0.08 0.00 -0.61 0.00 0.00 39.78 40.20 2qhk n ASN 48 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 2qhk h LYS 49 N 3.68 0.71 -0.44 3.52 1.57 -1.79 -1.48 116.57 122.35 2qhk h LYS 49 Ca 0.00 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.75 2qhk h LYS 49 Cb 0.79 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.92 2qhk h LYS 49 CO 0.00 0.47 0.27 0.37 -0.57 0.00 0.00 179.45 179.98 2qhk h GLN 50 N 0.73 0.52 -0.76 3.15 5.75 -1.79 0.65 115.11 123.36 2qhk h GLN 50 Ca 0.27 -0.03 -0.03 0.00 -0.15 0.00 0.00 58.65 58.71 2qhk h GLN 50 Cb 0.09 -0.12 -0.04 0.00 1.07 0.00 0.00 27.48 28.48 2qhk h GLN 50 CO -0.13 0.35 0.35 0.00 -2.65 0.00 0.00 178.83 176.75 2qhk h ALA 51 N 1.19 1.19 -0.38 3.38 0.00 -1.78 -2.44 119.26 120.41 2qhk h ALA 51 Ca 0.17 -0.16 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 2qhk h ALA 51 Cb -0.01 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 2qhk h ALA 51 CO -0.07 0.61 -0.37 0.00 0.00 0.00 0.00 179.25 179.42 2qhk h ALA 52 N 1.30 0.62 -0.51 0.00 0.00 -0.74 -2.94 119.26 117.00 2qhk h ALA 52 Ca 0.26 -0.45 0.08 0.00 0.00 0.00 0.00 54.91 54.81 2qhk h ALA 52 Cb 0.13 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 17.72 2qhk h ALA 52 CO -0.03 0.68 0.14 0.87 0.00 0.00 0.00 179.25 180.90 2qhk h LYS 53 N 0.74 0.28 -0.33 0.00 1.57 -0.67 -1.00 116.57 117.17 2qhk h LYS 53 Ca 0.06 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.86 2qhk h LYS 53 Cb 0.95 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 33.17 2qhk h LYS 53 CO 0.09 0.19 0.14 1.49 -0.57 0.00 0.00 179.45 180.79 2qhk h GLU 54 N 0.29 0.29 0.11 3.15 4.81 -1.33 -0.28 114.58 121.63 2qhk h GLU 54 Ca 0.25 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.46 2qhk h GLU 54 Cb 0.32 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.63 2qhk h GLU 54 CO -0.30 0.19 -0.05 0.82 -0.73 0.00 0.00 179.01 178.94 2qhk h ILE 55 N 0.30 0.94 -0.51 2.32 2.04 -1.33 -2.36 117.51 118.91 2qhk h ILE 55 Ca 0.14 -0.18 -0.06 0.00 1.00 0.00 0.00 64.86 65.76 2qhk h ILE 55 Cb 0.09 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 2qhk h ILE 55 CO -0.13 0.04 0.05 -0.07 0.00 0.00 0.00 178.15 178.05 2qhk h LEU 56 N -0.23 0.78 -1.46 1.44 3.38 -0.98 -2.27 115.31 115.97 2qhk h LEU 56 Ca -0.02 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 2qhk h LEU 56 Cb 0.19 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 2qhk h LEU 56 CO 0.03 0.81 -0.11 0.11 0.09 0.00 0.00 178.44 179.36 2qhk h LYS 57 N 0.77 0.00 -2.90 1.13 1.57 -0.95 -3.40 116.57 112.79 2qhk h LYS 57 Ca 0.16 0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 58.29 2qhk h LYS 57 Cb 0.39 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.71 2qhk h LYS 57 CO 0.01 0.11 3.46 0.00 -0.57 0.00 0.00 179.45 182.47 2qhk n ALA 58 N -2.18 7.44 0.00 3.86 0.00 -0.86 -4.74 120.51 124.04 2qhk n ALA 58 Ca -0.00 -3.47 0.00 0.00 0.00 0.00 0.00 53.44 49.97 2qhk n ALA 58 Cb 0.34 -3.26 0.00 0.00 0.00 0.00 0.00 19.45 16.53 2qhk n ALA 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2qhk n ARG 60 N 3.34 0.00 0.00 0.00 5.12 -1.26 -5.12 116.66 118.74 2qhk n ARG 60 Ca 0.75 0.00 0.08 0.00 -1.93 0.00 0.00 57.85 56.75 2qhk n ARG 60 Cb 0.28 0.00 -0.03 0.00 -1.16 0.00 0.00 32.46 31.54 2qhk n ARG 60 CO 0.00 0.00 0.00 1.97 -1.93 0.00 0.00 177.63 177.67 2qhk n PHE 61 N -0.38 0.00 -3.79 -1.55 1.16 -0.80 -5.04 117.46 107.06 2qhk n PHE 61 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 2qhk n PHE 61 Cb 0.00 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 37.87 2qhk n PHE 61 CO 0.00 0.00 0.00 -1.83 -1.87 0.00 0.00 176.76 173.06 2qhk s GLU 62 N -2.14 0.66 0.37 3.97 -1.05 -1.26 -4.92 118.70 114.32 2qhk s GLU 62 Ca 0.11 -0.40 0.11 0.00 -0.15 0.00 0.00 54.97 54.64 2qhk s GLU 62 Cb 0.13 0.20 0.87 0.00 -0.44 0.00 0.00 34.13 34.89 2qhk s GLU 62 CO 0.50 -0.30 1.87 0.77 0.95 0.00 0.00 175.26 179.05 2qhk h SER 63 N 2.00 0.60 -0.61 0.83 0.02 -2.04 -0.26 113.55 114.09 2qhk h SER 63 Ca -0.27 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 2qhk h SER 63 Cb 1.20 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.67 2qhk h SER 63 CO 0.30 0.30 0.00 0.47 -1.14 0.00 0.00 176.83 176.76 2qhk n ASP 64 N -4.55 3.41 -4.13 3.07 8.00 -1.26 -4.81 116.55 116.28 2qhk n ASP 64 Ca 0.17 -2.06 -0.37 0.00 0.71 0.00 0.00 54.79 53.25 2qhk n ASP 64 Cb 0.50 -0.43 -0.11 0.00 -0.02 0.00 0.00 41.12 41.06 2qhk n ASP 64 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2qhk s GLY 65 N -0.97 2.03 0.21 0.44 0.00 -0.11 -4.88 107.32 104.03 2qhk s GLY 65 Ca 0.41 -2.59 -0.08 0.00 0.00 0.00 0.00 44.72 42.47 2qhk s GLY 65 CO 0.27 1.04 0.31 -2.52 0.00 0.00 0.00 173.10 172.20 2qhk s TYR 66 N 1.09 0.61 0.05 1.90 -0.85 -1.26 -1.91 117.35 116.97 2qhk s TYR 66 Ca 0.09 -0.93 0.01 0.00 -0.52 0.00 0.00 57.07 55.71 2qhk s TYR 66 Cb -0.23 -0.11 -0.04 0.00 0.38 0.00 0.00 41.96 41.96 2qhk s TYR 66 CO -0.04 -0.80 0.15 -0.06 -1.52 0.00 0.00 175.55 173.28 2qhk s PHE 67 N -4.04 3.39 0.13 -3.49 0.08 -1.26 -4.31 117.98 108.49 2qhk s PHE 67 Ca 0.25 0.20 0.01 0.00 0.12 0.00 0.00 56.93 57.52 2qhk s PHE 67 Cb 0.03 -1.72 -0.04 0.00 -0.57 0.00 0.00 43.02 40.72 2qhk s PHE 67 CO 0.07 0.57 -0.02 -0.59 -0.10 0.00 0.00 175.22 175.15 2qhk s PHE 68 N -1.43 1.02 -0.04 0.36 -0.12 -0.43 -2.14 117.98 115.21 2qhk s PHE 68 Ca 0.31 -1.01 -0.11 0.00 -0.05 0.00 0.00 56.93 56.08 2qhk s PHE 68 Cb -0.13 -0.59 0.02 0.00 -0.63 0.00 0.00 43.02 41.70 2qhk s PHE 68 CO 0.24 -0.23 0.25 0.00 -0.05 0.00 0.00 175.22 175.43 2qhk s ALA 69 N -3.70 -0.61 0.06 1.99 0.00 -0.21 -0.50 121.76 118.79 2qhk s ALA 69 Ca 0.19 0.34 0.05 0.00 0.00 0.00 0.00 51.96 52.54 2qhk s ALA 69 Cb 0.06 -0.09 -0.03 0.00 0.00 0.00 0.00 23.12 23.06 2qhk s ALA 69 CO -0.00 -0.20 -0.14 0.71 0.00 0.00 0.00 175.76 176.13 2qhk s TYR 70 N -0.83 1.16 0.92 0.00 2.02 -0.53 -0.69 117.35 119.40 2qhk s TYR 70 Ca -0.09 -0.45 -0.13 0.00 -0.37 0.00 0.00 57.07 56.03 2qhk s TYR 70 Cb -0.05 -0.66 0.19 0.00 -0.40 0.00 0.00 41.96 41.04 2qhk s TYR 70 CO 0.02 0.04 1.27 0.16 -1.57 0.00 0.00 175.55 175.47 2qhk s ASP 71 N -1.64 3.34 0.58 2.29 1.47 0.08 0.05 116.67 122.84 2qhk s ASP 71 Ca -0.02 0.18 0.37 0.00 1.18 0.00 0.00 52.55 54.25 2qhk s ASP 71 Cb -0.10 -0.28 1.73 0.00 -0.34 0.00 0.00 42.92 43.93 2qhk s ASP 71 CO 0.02 -2.58 2.11 0.28 0.68 0.00 0.00 175.17 175.68 2qhk h SER 72 N -1.45 0.00 0.10 2.11 0.02 -1.91 -0.77 113.55 111.65 2qhk h SER 72 Ca -0.43 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 2qhk h SER 72 Cb 1.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.78 2qhk h SER 72 CO 0.39 0.00 -0.04 0.00 -1.14 0.00 0.00 176.83 176.04 2qhk n GLN 73 N -3.06 1.18 -0.59 3.45 1.13 -1.26 -4.93 117.38 113.30 2qhk n GLN 73 Ca -0.01 -0.48 0.00 0.00 -1.94 0.00 0.00 57.00 54.57 2qhk n GLN 73 Cb 0.22 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.08 2qhk n GLN 73 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2qhk n GLY 74 N 1.16 0.69 3.68 1.08 0.00 -0.29 -4.42 105.19 107.08 2qhk n GLY 74 Ca 0.19 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 2qhk n GLY 74 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qhk s ILE 75 N -2.00 4.78 0.14 -0.61 1.01 -1.26 -0.51 121.20 122.75 2qhk s ILE 75 Ca 0.00 1.94 -0.31 0.00 0.00 0.00 0.00 60.65 62.28 2qhk s ILE 75 Cb 0.00 -4.27 -0.10 0.00 0.01 0.00 0.00 42.46 38.10 2qhk s ILE 75 CO 0.00 -0.04 1.69 0.21 0.00 0.00 0.00 174.94 176.79 2qhk s ASN 76 N 1.14 6.50 -0.08 3.58 3.84 -0.55 -0.75 114.94 128.64 2qhk s ASN 76 Ca 0.45 2.68 0.13 0.00 0.21 0.00 0.00 52.86 56.33 2qhk s ASN 76 Cb -0.17 -2.58 -0.20 0.00 -0.55 0.00 0.00 41.25 37.75 2qhk s ASN 76 CO 0.13 -0.92 0.19 0.35 -2.79 0.00 0.00 177.10 174.06 2qhk n THR 77 N 4.33 0.46 -3.61 -5.21 -2.24 0.14 -0.34 114.28 107.80 2qhk n THR 77 Ca 0.16 -0.46 -0.16 0.00 -2.27 0.00 0.00 64.05 61.32 2qhk n THR 77 Cb 0.38 -0.23 -0.07 0.00 -2.10 0.00 0.00 70.33 68.31 2qhk n THR 77 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 2qhk s LEU 78 N -4.50 -0.17 -0.15 3.22 0.05 -1.08 -4.88 118.68 111.17 2qhk s LEU 78 Ca -0.06 0.63 -0.04 0.00 0.05 0.00 0.00 54.13 54.70 2qhk s LEU 78 Cb 0.07 2.10 0.07 0.00 -2.05 0.00 0.00 46.19 46.38 2qhk s LEU 78 CO 0.59 -0.49 0.25 -2.28 -0.55 0.00 0.00 176.35 173.86 2qhk s HIS 79 N -0.97 -0.39 0.31 3.48 2.46 -1.26 -1.05 115.29 117.87 2qhk s HIS 79 Ca -0.10 0.77 0.04 0.00 0.47 0.00 0.00 55.06 56.24 2qhk s HIS 79 Cb -0.02 -0.12 0.51 0.00 -0.13 0.00 0.00 32.58 32.81 2qhk s HIS 79 CO 0.07 -0.43 1.78 0.00 -2.47 0.00 0.00 174.74 173.69 2qhk h ALA 80 N 8.29 1.22 0.08 1.58 0.00 -1.72 -3.19 119.26 125.52 2qhk h ALA 80 Ca -0.15 -0.30 -0.30 0.00 0.00 0.00 0.00 54.91 54.16 2qhk h ALA 80 Cb 1.12 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 2qhk h ALA 80 CO 0.18 0.51 -1.63 0.82 0.00 0.00 0.00 179.25 179.12 2qhk h ILE 81 N 0.39 0.80 -2.75 0.00 1.08 -1.90 -3.44 117.51 111.70 2qhk h ILE 81 Ca 0.07 -2.29 -0.61 0.00 -0.39 0.00 0.00 64.86 61.64 2qhk h ILE 81 Cb 0.57 2.43 -0.40 0.00 -3.07 0.00 0.00 36.82 36.35 2qhk h ILE 81 CO 0.04 0.65 -0.75 1.17 -0.69 0.00 0.00 178.15 178.57 2qhk n LYS 82 N -3.90 1.13 0.31 2.37 4.81 -1.25 -4.97 118.16 116.66 2qhk n LYS 82 Ca -0.31 -3.92 0.21 0.00 -0.87 0.00 0.00 58.31 53.42 2qhk n LYS 82 Cb 0.89 -2.02 1.02 0.00 0.02 0.00 0.00 35.03 34.94 2qhk n LYS 82 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 2qhk h PRO 83 N 5.46 0.00 0.00 1.64 0.13 -1.83 -1.62 132.00 135.77 2qhk h PRO 83 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 2qhk h PRO 83 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 2qhk h PRO 83 CO 0.57 0.00 0.04 0.66 -0.23 0.00 0.00 178.00 179.04 2qhk h SER 84 N 0.00 0.00 1.33 1.44 4.64 -1.93 -1.57 113.55 117.46 2qhk h SER 84 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2qhk h SER 84 Cb 0.18 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.26 2qhk h SER 84 CO 0.00 0.00 -0.02 -0.07 -0.87 0.00 0.00 176.83 175.87 2qhk h LEU 85 N 0.00 0.00 -9.61 5.97 3.38 -1.68 -3.45 115.31 109.92 2qhk h LEU 85 Ca 0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.45 2qhk h LEU 85 Cb 0.09 0.00 0.05 0.00 0.09 0.00 0.00 40.66 40.89 2qhk h LEU 85 CO 0.00 0.02 0.94 -1.61 0.09 0.00 0.00 178.44 177.88 2qhk s GLU 86 N -3.52 4.18 0.00 1.13 2.02 -0.59 -0.99 118.70 120.93 2qhk s GLU 86 Ca 0.03 2.45 0.00 0.00 0.02 0.00 0.00 54.97 57.47 2qhk s GLU 86 Cb 0.08 -3.16 0.00 0.00 0.10 0.00 0.00 34.13 31.15 2qhk s GLU 86 CO 0.59 -0.67 0.00 0.41 0.02 0.00 0.00 175.26 175.61 2qhk n GLY 87 N 3.86 1.47 3.81 -1.39 0.00 0.53 -4.99 105.19 108.49 2qhk n GLY 87 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 2qhk n GLY 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qhk s LYS 88 N -0.47 4.28 -0.48 1.61 1.02 -0.16 -4.80 119.74 120.73 2qhk s LYS 88 Ca 0.00 0.84 -0.25 0.00 0.02 0.00 0.00 55.97 56.58 2qhk s LYS 88 Cb 0.00 -3.15 0.03 0.00 -0.52 0.00 0.00 37.83 34.19 2qhk s LYS 88 CO 0.00 0.56 0.90 1.21 -0.92 0.00 0.00 175.35 177.10 2qhk s ASN 89 N -1.28 6.44 -0.20 2.83 3.84 -1.26 -1.48 114.94 123.83 2qhk s ASN 89 Ca 0.34 -0.04 0.15 0.00 0.21 0.00 0.00 52.86 53.52 2qhk s ASN 89 Cb -0.19 -2.43 0.51 0.00 -0.55 0.00 0.00 41.25 38.59 2qhk s ASN 89 CO 0.21 -1.06 1.42 0.18 -2.79 0.00 0.00 177.10 175.06 2qhk n LEU 90 N 7.13 3.87 -0.33 3.21 4.77 0.33 -4.73 117.00 131.26 2qhk n LEU 90 Ca 0.04 -3.17 0.03 0.00 -0.03 0.00 0.00 56.01 52.88 2qhk n LEU 90 Cb 0.48 -0.56 0.17 0.00 -2.33 0.00 0.00 43.42 41.19 2qhk n LEU 90 CO 0.63 0.79 1.21 0.22 -1.33 0.00 0.00 177.39 178.91 2qhk h TYR 91 N 1.52 1.04 -0.01 -1.77 3.20 -1.77 -1.68 116.97 117.52 2qhk h TYR 91 Ca 0.05 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.95 2qhk h TYR 91 Cb 1.48 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 39.41 2qhk h TYR 91 CO 0.58 0.49 0.00 -0.25 -1.64 0.00 0.00 178.16 177.34 2qhk n ASP 92 N -4.61 0.44 -4.73 -2.11 8.00 -1.26 -4.05 116.55 108.23 2qhk n ASP 92 Ca 0.15 -1.16 -0.42 0.00 0.71 0.00 0.00 54.79 54.07 2qhk n ASP 92 Cb 0.23 -0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.30 2qhk n ASP 92 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2qhk s LEU 93 N -1.99 4.37 0.01 0.64 0.20 -0.63 -4.99 118.68 116.29 2qhk s LEU 93 Ca 0.45 2.73 0.07 0.00 0.69 0.00 0.00 54.13 58.07 2qhk s LEU 93 Cb 0.21 -3.61 -0.03 0.00 -0.43 0.00 0.00 46.19 42.34 2qhk s LEU 93 CO 0.36 -0.84 -0.20 -0.54 -0.29 0.00 0.00 176.35 174.84 2qhk s LYS 94 N 0.53 2.15 0.46 1.98 1.02 -1.26 -2.66 119.74 121.95 2qhk s LYS 94 Ca 0.67 -0.92 -0.08 0.00 0.02 0.00 0.00 55.97 55.67 2qhk s LYS 94 Cb -0.45 -2.18 0.11 0.00 -0.52 0.00 0.00 37.83 34.79 2qhk s LYS 94 CO 0.37 0.56 0.54 -0.40 -0.92 0.00 0.00 175.35 175.50 2qhk n ASP 95 N 1.92 -0.46 0.25 2.83 5.68 -0.40 -4.86 116.55 121.50 2qhk n ASP 95 Ca -0.16 -1.07 0.17 0.00 -0.50 0.00 0.00 54.79 53.23 2qhk n ASP 95 Cb 0.52 -0.44 0.81 0.00 -1.14 0.00 0.00 41.12 40.87 2qhk n ASP 95 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 2qhk h GLU 96 N 0.00 0.00 -0.59 0.11 4.11 -1.91 -1.82 114.58 114.48 2qhk h GLU 96 Ca -0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.25 2qhk h GLU 96 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 2qhk h GLU 96 CO 0.13 0.00 0.00 0.09 0.07 0.00 0.00 179.01 179.30 2qhk n ASN 97 N -2.77 3.63 0.00 3.06 3.02 -1.26 -4.95 115.26 115.99 2qhk n ASN 97 Ca -0.01 -1.99 0.00 0.00 -0.03 0.00 0.00 54.58 52.56 2qhk n ASN 97 Cb 0.16 -0.39 0.00 0.00 -0.61 0.00 0.00 39.78 38.94 2qhk n ASN 97 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qhk n GLY 98 N 1.37 0.46 3.68 7.41 0.00 -0.68 -5.02 105.19 112.40 2qhk n GLY 98 Ca 0.21 -0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 2qhk n GLY 98 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qhk s VAL 99 N -2.00 4.18 -0.94 1.61 1.01 -1.26 -4.78 120.40 118.21 2qhk s VAL 99 Ca 0.00 1.48 -0.24 0.00 0.00 0.00 0.00 61.98 63.22 2qhk s VAL 99 Cb 0.00 -3.96 0.03 0.00 0.00 0.00 0.00 36.38 32.46 2qhk s VAL 99 CO 0.00 -0.05 1.49 0.00 0.00 0.00 0.00 175.10 176.54 2qhk s ALA 100 N 2.74 2.58 0.06 5.51 0.00 -1.26 -1.28 121.76 130.11 2qhk s ALA 100 Ca 0.57 -1.96 -0.23 0.00 0.00 0.00 0.00 51.96 50.34 2qhk s ALA 100 Cb -0.25 -4.48 -0.14 0.00 0.00 0.00 0.00 23.12 18.25 2qhk s ALA 100 CO 0.20 -3.71 1.56 0.28 0.00 0.00 0.00 175.76 174.09 2qhk h VAL 101 N 6.72 1.17 -0.05 0.00 2.07 -1.84 -0.72 116.25 123.60 2qhk h VAL 101 Ca 0.09 -0.53 -0.07 0.00 0.82 0.00 0.00 66.70 67.01 2qhk h VAL 101 Cb 1.02 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 32.19 2qhk h VAL 101 CO 1.37 0.15 -0.26 0.40 0.02 0.00 0.00 177.57 179.25 2qhk h ILE 102 N -0.08 1.45 -0.85 4.57 5.03 -1.80 -1.03 117.51 124.80 2qhk h ILE 102 Ca 0.02 -1.72 0.00 0.00 -0.12 0.00 0.00 64.86 63.04 2qhk h ILE 102 Cb 0.22 2.42 -0.04 0.00 -3.03 0.00 0.00 36.82 36.39 2qhk h ILE 102 CO -0.00 0.48 0.54 0.00 -0.68 0.00 0.00 178.15 178.50 2qhk h ALA 103 N 0.39 1.35 -0.62 1.87 0.00 -1.70 -0.53 119.26 120.02 2qhk h ALA 103 Ca -0.02 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 2qhk h ALA 103 Cb 0.93 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 2qhk h ALA 103 CO 0.05 0.58 0.02 0.78 0.00 0.00 0.00 179.25 180.68 2qhk h GLY 104 N 1.17 1.17 1.19 0.00 0.00 -0.95 -1.28 103.07 104.36 2qhk h GLY 104 Ca 0.31 -0.85 -0.16 0.00 0.00 0.00 0.00 47.33 46.64 2qhk h GLY 104 CO -0.06 0.78 -0.40 1.41 0.00 0.00 0.00 176.54 178.26 2qhk h LEU 105 N 0.99 0.95 0.01 3.11 3.38 -0.83 0.46 115.31 123.38 2qhk h LEU 105 Ca 0.18 -0.44 -0.00 0.00 0.09 0.00 0.00 57.88 57.71 2qhk h LEU 105 Cb 0.54 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.03 2qhk h LEU 105 CO 0.03 1.22 -0.00 0.40 0.09 0.00 0.00 178.44 180.18 2qhk h ILE 106 N 0.72 1.03 -0.56 1.22 2.04 -0.97 -1.51 117.51 119.49 2qhk h ILE 106 Ca 0.06 -0.11 -0.05 0.00 1.00 0.00 0.00 64.86 65.75 2qhk h ILE 106 Cb 0.99 1.11 -0.02 0.00 -0.74 0.00 0.00 36.82 38.15 2qhk h ILE 106 CO 0.10 0.03 0.16 0.44 0.00 0.00 0.00 178.15 178.87 2qhk h ASP 107 N -0.06 0.83 -0.63 1.72 3.32 -1.16 -2.03 116.42 118.40 2qhk h ASP 107 Ca -0.00 -0.22 0.05 0.00 0.02 0.00 0.00 57.03 56.88 2qhk h ASP 107 Cb 0.05 -0.22 -0.05 0.00 0.22 0.00 0.00 39.33 39.34 2qhk h ASP 107 CO 0.00 0.83 0.36 0.00 -1.72 0.00 0.00 179.24 178.70 2qhk h ALA 108 N 1.03 0.84 -0.03 3.45 0.00 -0.79 0.27 119.26 124.02 2qhk h ALA 108 Ca 0.18 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.96 2qhk h ALA 108 Cb 0.31 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2qhk h ALA 108 CO -0.00 0.04 -0.60 0.66 0.00 0.00 0.00 179.25 179.35 2qhk h SER 109 N 0.67 0.11 0.04 0.00 4.64 -1.08 -0.64 113.55 117.30 2qhk h SER 109 Ca 0.28 -0.07 -0.36 0.00 -0.47 0.00 0.00 61.79 61.17 2qhk h SER 109 Cb 0.14 -0.03 -0.04 0.00 -0.31 0.00 0.00 62.40 62.16 2qhk h SER 109 CO -0.16 0.69 -2.09 0.00 -0.87 0.00 0.00 176.83 174.40 2qhk n GLN 110 N -3.84 0.66 0.00 4.77 6.02 -0.78 -4.38 117.38 119.83 2qhk n GLN 110 Ca -0.02 0.29 0.03 0.00 -0.01 0.00 0.00 57.00 57.30 2qhk n GLN 110 Cb 0.61 -1.63 -0.01 0.00 1.02 0.00 0.00 30.24 30.23 2qhk n GLN 110 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2qhk n LYS 111 N -3.75 2.79 0.00 -1.09 5.02 0.90 -5.07 118.16 116.97 2qhk n LYS 111 Ca -0.40 -0.40 0.00 0.00 -2.02 0.00 0.00 58.31 55.49 2qhk n LYS 111 Cb 0.93 -0.96 0.00 0.00 -0.02 0.00 0.00 35.03 34.98 2qhk n LYS 111 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qhk n GLY 112 N 0.86 5.63 0.77 0.72 0.00 -0.78 -4.97 105.19 107.42 2qhk n GLY 112 Ca 0.03 -1.48 0.08 0.00 0.00 0.00 0.00 46.02 44.65 2qhk n GLY 112 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2qhk n ASP 113 N 0.00 2.26 0.00 1.61 5.75 -1.19 -4.69 116.55 120.29 2qhk n ASP 113 Ca 0.00 -1.92 0.00 0.00 -0.01 0.00 0.00 54.79 52.86 2qhk n ASP 113 Cb 0.00 -0.24 0.00 0.00 -1.03 0.00 0.00 41.12 39.85 2qhk n ASP 113 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2qhk n GLY 114 N 1.20 2.34 3.90 6.12 0.00 -0.32 -4.96 105.19 113.48 2qhk n GLY 114 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 2qhk n GLY 114 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qhk s PHE 115 N -2.27 3.56 -0.16 1.61 0.08 -1.26 -0.86 117.98 118.67 2qhk s PHE 115 Ca 0.00 0.38 -0.09 0.00 0.12 0.00 0.00 56.93 57.34 2qhk s PHE 115 Cb 0.00 -1.85 0.06 0.00 -0.57 0.00 0.00 43.02 40.66 2qhk s PHE 115 CO 0.00 0.66 0.39 -1.17 -0.10 0.00 0.00 175.22 175.00 2qhk s LEU 116 N -1.83 0.01 0.04 -0.37 2.96 -0.76 -4.88 118.68 113.86 2qhk s LEU 116 Ca 0.26 0.85 -0.23 0.00 -0.22 0.00 0.00 54.13 54.79 2qhk s LEU 116 Cb -0.13 1.29 -0.06 0.00 0.50 0.00 0.00 46.19 47.79 2qhk s LEU 116 CO 0.17 -0.19 0.67 -0.31 -1.32 0.00 0.00 176.35 175.38 2qhk s TYR 117 N 1.27 3.73 0.16 5.38 2.02 -1.26 -0.85 117.35 127.80 2qhk s TYR 117 Ca -0.09 1.35 -0.25 0.00 -0.37 0.00 0.00 57.07 57.71 2qhk s TYR 117 Cb -0.08 -2.69 0.06 0.00 -0.40 0.00 0.00 41.96 38.85 2qhk s TYR 117 CO -0.11 0.36 0.96 -0.59 -1.57 0.00 0.00 175.55 174.59 2qhk s PHE 118 N -0.30 -0.12 0.01 2.71 -0.12 -0.86 -5.00 117.98 114.30 2qhk s PHE 118 Ca 0.34 -0.19 0.01 0.00 -0.05 0.00 0.00 56.93 57.04 2qhk s PHE 118 Cb -0.20 0.64 -0.04 0.00 -0.63 0.00 0.00 43.02 42.80 2qhk s PHE 118 CO 0.20 -0.84 0.06 -1.12 -0.05 0.00 0.00 175.22 173.48 2qhk s SER 119 N -2.96 5.54 0.10 1.98 0.01 -1.26 -0.36 113.70 116.75 2qhk s SER 119 Ca 0.13 0.09 -0.19 0.00 1.31 0.00 0.00 55.95 57.28 2qhk s SER 119 Cb -0.01 -1.55 0.04 0.00 0.21 0.00 0.00 66.02 64.71 2qhk s SER 119 CO 0.03 0.26 0.46 0.86 0.41 0.00 0.00 173.24 175.25 2qhk s TRP 120 N -1.21 -0.32 0.08 2.43 -0.11 -0.81 -4.79 118.94 114.22 2qhk s TRP 120 Ca 0.23 0.16 -0.36 0.00 1.22 0.00 0.00 56.10 57.35 2qhk s TRP 120 Cb -0.12 0.32 -0.17 0.00 -1.50 0.00 0.00 33.47 31.99 2qhk s TRP 120 CO 0.15 -0.68 1.21 1.58 -4.62 0.00 0.00 176.95 174.58 2qhk n HIS 121 N 0.04 1.18 -3.80 5.86 -0.00 -1.26 -1.35 115.22 115.89 2qhk n HIS 121 Ca -0.17 0.76 -0.37 0.00 -0.00 0.00 0.00 57.72 57.95 2qhk n HIS 121 Cb 0.62 -2.25 -0.13 0.00 -0.00 0.00 0.00 29.99 28.24 2qhk n HIS 121 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.34 176.55 2qhk s LYS 122 N 0.14 2.87 0.25 1.57 2.20 0.14 -4.84 119.74 122.07 2qhk s LYS 122 Ca 0.83 -0.99 -0.06 0.00 -0.36 0.00 0.00 55.97 55.39 2qhk s LYS 122 Cb -1.01 -3.32 0.48 0.00 -1.51 0.00 0.00 37.83 32.47 2qhk s LYS 122 CO 0.51 -0.51 1.64 -1.35 -0.36 0.00 0.00 175.35 175.28 2qhk h PRO 123 N 8.18 0.12 0.00 4.03 0.11 -1.88 -0.39 132.00 142.16 2qhk h PRO 123 Ca -0.29 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.82 2qhk h PRO 123 Cb 1.11 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2qhk h PRO 123 CO 0.59 0.08 0.00 0.25 -0.21 0.00 0.00 178.00 178.71 2qhk n THR 124 N -5.33 1.01 -0.41 -1.15 -2.24 -1.26 -2.47 114.28 102.43 2qhk n THR 124 Ca 0.15 0.26 0.00 0.00 -2.27 0.00 0.00 64.05 62.18 2qhk n THR 124 Cb 0.51 -1.02 0.00 0.00 -2.10 0.00 0.00 70.33 67.71 2qhk n THR 124 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 2qhk n ILE 125 N -1.56 0.09 -4.13 2.28 -5.35 -0.73 -5.04 119.36 104.93 2qhk n ILE 125 Ca 0.03 -0.34 -0.33 0.00 -0.27 0.00 0.00 62.75 61.84 2qhk n ILE 125 Cb 0.17 1.30 -0.04 0.00 -1.74 0.00 0.00 39.64 39.33 2qhk n ILE 125 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 2qhk n ASN 126 N -0.05 -0.99 -3.44 7.28 5.15 -0.24 -4.95 115.26 118.03 2qhk n ASN 126 Ca 0.00 -1.20 -0.11 0.00 -0.60 0.00 0.00 54.58 52.67 2qhk n ASN 126 Cb 0.14 -2.11 -0.02 0.00 -0.53 0.00 0.00 39.78 37.27 2qhk n ASN 126 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2qhk s ALA 127 N -4.02 -1.66 0.43 5.20 0.00 -1.24 -4.95 121.76 115.52 2qhk s ALA 127 Ca 0.15 0.64 -0.26 0.00 0.00 0.00 0.00 51.96 52.49 2qhk s ALA 127 Cb -0.08 0.75 -0.08 0.00 0.00 0.00 0.00 23.12 23.71 2qhk s ALA 127 CO 0.96 -0.74 1.36 -0.65 0.00 0.00 0.00 175.76 176.68 2qhk s GLN 128 N -3.56 3.83 0.01 0.00 -1.52 -1.26 -0.69 119.66 116.48 2qhk s GLN 128 Ca 0.02 2.27 -0.17 0.00 -1.95 0.00 0.00 55.36 55.54 2qhk s GLN 128 Cb -0.01 -2.70 0.03 0.00 -0.22 0.00 0.00 33.01 30.11 2qhk s GLN 128 CO -0.12 -0.65 0.36 0.00 -0.25 0.00 0.00 175.29 174.63 2qhk s ALA 129 N -1.24 -0.89 0.33 6.09 0.00 -0.45 -4.83 121.76 120.77 2qhk s ALA 129 Ca 0.59 0.31 -0.29 0.00 0.00 0.00 0.00 51.96 52.57 2qhk s ALA 129 Cb -0.41 0.21 -0.11 0.00 0.00 0.00 0.00 23.12 22.82 2qhk s ALA 129 CO 0.52 -0.36 1.40 -1.25 0.00 0.00 0.00 175.76 176.07 2qhk s PRO 130 N -1.97 4.25 0.05 0.00 0.04 -1.26 -1.93 135.00 134.19 2qhk s PRO 130 Ca -0.09 2.36 0.01 0.00 0.04 0.00 0.00 61.00 63.32 2qhk s PRO 130 Cb -0.02 -3.04 -0.03 0.00 0.04 0.00 0.00 34.50 31.44 2qhk s PRO 130 CO 0.01 -0.35 -0.06 0.21 0.04 0.00 0.00 177.00 176.84 2qhk s LYS 131 N -1.58 0.56 -0.28 4.56 2.20 0.52 -0.75 119.74 124.96 2qhk s LYS 131 Ca 0.53 -0.90 -0.02 0.00 -0.36 0.00 0.00 55.97 55.21 2qhk s LYS 131 Cb -0.43 -0.15 0.03 0.00 -1.51 0.00 0.00 37.83 35.77 2qhk s LYS 131 CO 0.54 0.00 -0.02 -1.17 -0.36 0.00 0.00 175.35 174.35 2qhk s LEU 132 N -1.99 3.58 0.27 5.43 2.96 0.29 -2.02 118.68 127.20 2qhk s LEU 132 Ca -0.05 -1.02 -0.01 0.00 -0.22 0.00 0.00 54.13 52.83 2qhk s LEU 132 Cb -0.05 -1.71 -0.04 0.00 0.50 0.00 0.00 46.19 44.89 2qhk s LEU 132 CO -0.02 -0.19 0.47 -0.83 -1.32 0.00 0.00 176.35 174.46 2qhk s GLY 133 N 1.32 1.63 -0.05 7.98 0.00 -0.03 -1.38 107.32 116.79 2qhk s GLY 133 Ca -0.02 -0.82 -0.02 0.00 0.00 0.00 0.00 44.72 43.86 2qhk s GLY 133 CO -0.02 -0.76 0.09 -0.47 0.00 0.00 0.00 173.10 171.94 2qhk s TYR 134 N -2.05 -0.06 0.03 1.90 5.04 -0.17 -1.83 117.35 120.22 2qhk s TYR 134 Ca 0.40 0.35 0.04 0.00 -2.44 0.00 0.00 57.07 55.42 2qhk s TYR 134 Cb -0.10 -0.26 -0.02 0.00 0.35 0.00 0.00 41.96 41.93 2qhk s TYR 134 CO 0.31 -0.17 -0.13 0.00 -1.34 0.00 0.00 175.55 174.22 2qhk s ALA 135 N 1.61 1.06 0.05 3.97 0.00 -0.04 -1.50 121.76 126.90 2qhk s ALA 135 Ca -0.03 -0.75 0.08 0.00 0.00 0.00 0.00 51.96 51.25 2qhk s ALA 135 Cb -0.12 -0.17 -0.03 0.00 0.00 0.00 0.00 23.12 22.81 2qhk s ALA 135 CO -0.04 0.20 -0.21 -1.21 0.00 0.00 0.00 175.76 174.49 2qhk s GLU 136 N -1.03 1.40 -0.17 0.00 2.02 -0.18 -4.39 118.70 116.35 2qhk s GLU 136 Ca 0.01 -0.98 -0.15 0.00 0.02 0.00 0.00 54.97 53.86 2qhk s GLU 136 Cb -0.07 -1.54 -0.04 0.00 0.10 0.00 0.00 34.13 32.58 2qhk s GLU 136 CO 0.01 0.39 0.37 -0.47 0.02 0.00 0.00 175.26 175.58 2qhk s TYR 137 N -0.84 3.43 -0.59 1.61 5.04 -1.26 -1.03 117.35 123.71 2qhk s TYR 137 Ca 0.08 0.65 -0.06 0.00 -2.44 0.00 0.00 57.07 55.29 2qhk s TYR 137 Cb -0.09 -2.46 0.15 0.00 0.35 0.00 0.00 41.96 39.91 2qhk s TYR 137 CO 0.02 0.10 0.44 -0.51 -1.34 0.00 0.00 175.55 174.26 2qhk s LEU 138 N 0.91 5.60 0.34 6.97 1.43 0.88 -4.99 118.68 129.82 2qhk s LEU 138 Ca 0.19 -2.48 0.06 0.00 -1.03 0.00 0.00 54.13 50.87 2qhk s LEU 138 Cb -0.14 -1.95 0.61 0.00 0.03 0.00 0.00 46.19 44.74 2qhk s LEU 138 CO 0.07 -0.51 1.84 -0.61 0.23 0.00 0.00 176.35 177.37 2qhk h GLN 139 N 7.65 0.40 -0.82 1.70 -0.00 -1.96 -2.17 115.11 119.90 2qhk h GLN 139 Ca -0.06 -0.11 0.05 0.00 -0.00 0.00 0.00 58.65 58.53 2qhk h GLN 139 Cb 1.01 -0.05 -0.05 0.00 0.00 0.00 0.00 27.48 28.39 2qhk h GLN 139 CO 0.76 0.53 0.54 -0.22 0.00 0.00 0.00 178.83 180.43 2qhk h LYS 140 N 0.37 0.93 -0.03 1.69 3.64 -1.96 -2.18 116.57 119.03 2qhk h LYS 140 Ca 0.07 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2qhk h LYS 140 Cb 0.45 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 2qhk h LYS 140 CO 0.03 0.62 0.00 0.91 -2.27 0.00 0.00 179.45 178.73 2qhk n TRP 141 N -4.47 0.01 -3.87 1.91 8.01 -1.08 -4.98 117.44 112.96 2qhk n TRP 141 Ca 0.11 -0.00 -0.25 0.00 -1.31 0.00 0.00 57.50 56.05 2qhk n TRP 141 Cb 0.16 -0.00 0.01 0.00 -2.01 0.00 0.00 31.31 29.46 2qhk n TRP 141 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.69 173.21 2qhk n ASP 142 N 1.16 -1.57 -4.48 -0.99 2.03 -0.82 -4.98 116.55 106.89 2qhk n ASP 142 Ca 0.12 -0.90 -0.35 0.00 0.52 0.00 0.00 54.79 54.18 2qhk n ASP 142 Cb 0.52 -3.54 -0.12 0.00 -0.72 0.00 0.00 41.12 37.26 2qhk n ASP 142 CO 0.00 0.00 0.00 0.26 -1.92 0.00 0.00 177.20 175.54 2qhk s TRP 143 N -3.69 3.08 -0.61 -0.67 0.52 -0.92 -3.98 118.94 112.66 2qhk s TRP 143 Ca 0.17 -0.35 -0.21 0.00 0.02 0.00 0.00 56.10 55.72 2qhk s TRP 143 Cb -0.09 -2.11 0.07 0.00 -1.15 0.00 0.00 33.47 30.19 2qhk s TRP 143 CO 0.85 -0.19 0.85 0.08 0.02 0.00 0.00 176.95 178.56 2qhk s VAL 144 N 1.01 4.53 -0.18 4.03 1.01 0.11 -0.08 120.40 130.83 2qhk s VAL 144 Ca 0.03 -0.48 -0.14 0.00 0.00 0.00 0.00 61.98 61.39 2qhk s VAL 144 Cb -0.14 -4.57 -0.05 0.00 0.00 0.00 0.00 36.38 31.62 2qhk s VAL 144 CO 0.02 -1.25 0.28 -0.22 0.00 0.00 0.00 175.10 173.94 2qhk s LEU 145 N 3.50 4.21 0.11 3.92 2.96 -0.20 -1.45 118.68 131.73 2qhk s LEU 145 Ca 0.19 0.44 -0.01 0.00 -0.22 0.00 0.00 54.13 54.54 2qhk s LEU 145 Cb -0.19 -2.35 -0.04 0.00 0.50 0.00 0.00 46.19 44.12 2qhk s LEU 145 CO 0.10 0.07 0.03 -0.83 -1.32 0.00 0.00 176.35 174.40 2qhk s GLY 146 N 0.64 0.85 0.00 7.98 0.00 0.34 -1.01 107.32 116.12 2qhk s GLY 146 Ca 0.15 -1.40 0.00 0.00 0.00 0.00 0.00 44.72 43.47 2qhk s GLY 146 CO 0.04 -1.36 0.00 -0.37 0.00 0.00 0.00 173.10 171.41 2qhk n THR 147 N -0.04 0.00 -3.64 0.90 5.66 -0.56 -1.31 114.28 115.29 2qhk n THR 147 Ca -0.08 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 60.90 2qhk n THR 147 Cb 0.63 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.40 2qhk n THR 147 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 2qhk s GLY 148 N -0.93 -0.35 0.01 1.09 0.00 -1.26 -1.00 107.32 104.88 2qhk s GLY 148 Ca 0.00 0.75 0.07 0.00 0.00 0.00 0.00 44.72 45.54 2qhk s GLY 148 CO 0.00 0.19 -0.21 -0.42 0.00 0.00 0.00 173.10 172.66 2qhk s ILE 149 N -2.74 1.68 0.11 0.90 1.01 -0.48 -4.72 121.20 116.97 2qhk s ILE 149 Ca 0.12 -1.05 -0.24 0.00 0.00 0.00 0.00 60.65 59.48 2qhk s ILE 149 Cb 0.01 -1.43 -0.07 0.00 0.01 0.00 0.00 42.46 40.99 2qhk s ILE 149 CO -0.03 0.35 0.73 -0.31 0.00 0.00 0.00 174.94 175.68 2qhk s TYR 150 N -0.64 3.84 -1.01 3.97 2.02 -1.26 -0.54 117.35 123.72 2qhk s TYR 150 Ca 0.08 1.51 0.09 0.00 -0.37 0.00 0.00 57.07 58.39 2qhk s TYR 150 Cb -0.08 -2.73 0.15 0.00 -0.40 0.00 0.00 41.96 38.90 2qhk s TYR 150 CO 0.00 0.45 0.97 0.44 -1.57 0.00 0.00 175.55 175.85 2qhk n ILE 151 N 2.00 0.42 -0.02 2.71 -5.35 0.07 -4.61 119.36 114.58 2qhk n ILE 151 Ca -0.06 -0.71 0.23 0.00 -0.27 0.00 0.00 62.75 61.94 2qhk n ILE 151 Cb 0.49 0.90 0.72 0.00 -1.74 0.00 0.00 39.64 40.02 2qhk n ILE 151 CO 0.00 0.00 0.00 -2.24 -1.76 0.00 0.00 176.55 172.55 2qhk h ASP 152 N 1.79 0.00 0.05 7.28 2.03 -1.92 0.11 116.42 125.76 2qhk h ASP 152 Ca 0.00 0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2qhk h ASP 152 Cb 0.52 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.02 2qhk h ASP 152 CO 0.00 0.00 -0.02 -2.24 -1.03 0.00 0.00 179.24 175.95 2qhk h ASP 153 N 0.00 -0.06 0.09 4.15 3.04 -1.94 -3.26 116.42 118.44 2qhk h ASP 153 Ca 0.29 -0.22 -0.00 0.00 -3.24 0.00 0.00 57.03 53.85 2qhk h ASP 153 Cb 1.27 0.01 -0.00 0.00 -1.04 0.00 0.00 39.33 39.58 2qhk h ASP 153 CO -0.00 0.19 -0.06 0.40 -2.04 0.00 0.00 179.24 177.73 2qhk h ILE 154 N -0.30 0.00 0.00 4.15 2.04 -1.67 -3.56 117.51 118.17 2qhk h ILE 154 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.85 2qhk h ILE 154 Cb 0.27 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.35 2qhk h ILE 154 CO 0.01 0.00 0.00 -0.67 0.00 0.00 0.00 178.15 177.49