#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qgh s ASP 8 N 0.00 4.35 0.17 -1.34 -4.77 -1.26 -4.98 116.67 108.83 1qgh s ASP 8 Ca 0.00 -0.97 -0.21 0.00 -3.30 0.00 0.00 52.55 48.07 1qgh s ASP 8 Cb 0.00 -0.57 0.07 0.00 -1.09 0.00 0.00 42.92 41.34 1qgh s ASP 8 CO 0.00 -0.33 1.62 0.74 0.70 0.00 0.00 175.17 177.90 1qgh h THR 9 N 1.66 0.33 -0.43 2.11 2.02 -1.98 0.17 112.91 116.79 1qgh h THR 9 Ca -0.43 0.00 0.09 0.00 0.77 0.00 0.00 66.41 66.83 1qgh h THR 9 Cb 1.25 0.33 -0.08 0.00 -1.74 0.00 0.00 68.15 67.91 1qgh h THR 9 CO 0.67 0.00 -0.08 0.11 0.37 0.00 0.00 175.52 176.59 1qgh h LYS 10 N -0.21 0.03 -0.72 6.66 1.57 -1.97 0.91 116.57 122.85 1qgh h LYS 10 Ca 0.18 -0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.89 1qgh h LYS 10 Cb 0.49 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.76 1qgh h LYS 10 CO -0.49 0.02 0.20 0.93 -0.57 0.00 0.00 179.45 179.54 1qgh h GLU 11 N 0.03 1.13 -0.17 3.15 3.07 -1.76 0.90 114.58 120.93 1qgh h GLU 11 Ca 0.21 -0.26 -0.02 0.00 -0.50 0.00 0.00 59.36 58.79 1qgh h GLU 11 Cb 0.32 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 28.06 1qgh h GLU 11 CO -0.42 0.98 0.04 0.35 -1.40 0.00 0.00 179.01 178.56 1qgh h PHE 12 N 1.07 0.29 -0.23 4.33 3.57 0.90 -1.55 116.94 125.31 1qgh h PHE 12 Ca 0.23 -0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.72 1qgh h PHE 12 Cb 0.34 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.97 1qgh h PHE 12 CO 0.03 0.42 0.07 -0.07 -2.23 0.00 0.00 178.31 176.52 1qgh h LEU 13 N 0.07 0.06 -1.61 0.59 4.07 0.11 -1.24 115.31 117.36 1qgh h LEU 13 Ca 0.05 0.03 -0.02 0.00 0.08 0.00 0.00 57.88 58.02 1qgh h LEU 13 Cb 0.28 0.03 -0.01 0.00 1.08 0.00 0.00 40.66 42.04 1qgh h LEU 13 CO 0.00 0.06 0.04 -1.13 -1.08 0.00 0.00 178.44 176.34 1qgh h ASN 14 N 0.17 0.26 -0.76 -0.43 -1.24 -0.77 -0.15 115.58 112.66 1qgh h ASN 14 Ca 0.10 -0.02 -0.00 0.00 0.71 0.00 0.00 56.30 57.08 1qgh h ASN 14 Cb 0.08 -0.07 -0.04 0.00 0.73 0.00 0.00 38.32 39.03 1qgh h ASN 14 CO -0.12 0.28 0.46 -0.74 -1.29 0.00 0.00 177.43 176.01 1qgh h HIS 15 N 0.28 1.01 0.00 0.67 2.76 -0.19 -0.11 115.15 119.58 1qgh h HIS 15 Ca 0.07 -0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.15 1qgh h HIS 15 Cb 0.13 -0.33 -0.01 0.00 1.55 0.00 0.00 27.41 28.75 1qgh h HIS 15 CO 0.00 0.67 -0.41 1.96 -1.30 0.00 0.00 177.93 178.85 1qgh h GLN 16 N 1.06 0.00 -0.41 5.26 1.08 -0.39 -0.88 115.11 120.82 1qgh h GLN 16 Ca 0.28 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.45 1qgh h GLN 16 Cb -0.04 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.37 1qgh h GLN 16 CO -0.05 0.41 0.15 0.28 -0.95 0.00 0.00 178.83 178.68 1qgh h VAL 17 N 0.00 1.20 0.02 -0.54 2.07 -0.25 0.30 116.25 119.06 1qgh h VAL 17 Ca -0.00 -0.65 -0.00 0.00 0.82 0.00 0.00 66.70 66.87 1qgh h VAL 17 Cb 0.95 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 31.58 1qgh h VAL 17 CO 0.05 0.23 -0.01 0.00 0.02 0.00 0.00 177.57 177.87 1qgh h ALA 18 N 1.00 -0.03 -0.34 1.67 0.00 -0.92 -2.36 119.26 118.29 1qgh h ALA 18 Ca 0.14 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.05 1qgh h ALA 18 Cb 0.21 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1qgh h ALA 18 CO -0.01 -0.48 0.08 -0.91 0.00 0.00 0.00 179.25 177.93 1qgh h ASN 19 N -0.11 0.03 -0.90 0.00 2.35 -0.69 -2.62 115.58 113.64 1qgh h ASN 19 Ca -0.00 0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.79 1qgh h ASN 19 Cb 0.10 0.07 -0.04 0.00 0.05 0.00 0.00 38.32 38.49 1qgh h ASN 19 CO 0.00 0.05 0.54 -0.07 -1.65 0.00 0.00 177.43 176.30 1qgh h LEU 20 N 0.20 1.09 -1.42 1.61 4.07 -0.34 0.16 115.31 120.68 1qgh h LEU 20 Ca 0.16 -0.07 -0.05 0.00 0.08 0.00 0.00 57.88 58.00 1qgh h LEU 20 Cb 0.17 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 41.62 1qgh h LEU 20 CO -0.20 0.85 -0.15 0.78 -1.08 0.00 0.00 178.44 178.63 1qgh h ASN 21 N 1.25 0.18 0.06 -0.43 2.35 -1.09 0.37 115.58 118.28 1qgh h ASN 21 Ca 0.32 -0.04 -0.27 0.00 -0.55 0.00 0.00 56.30 55.76 1qgh h ASN 21 Cb -0.04 -0.05 0.03 0.00 0.05 0.00 0.00 38.32 38.31 1qgh h ASN 21 CO -0.06 0.36 -1.11 0.58 -1.65 0.00 0.00 177.43 175.55 1qgh h VAL 22 N 0.18 1.29 -0.77 2.81 2.07 -1.04 -3.12 116.25 117.68 1qgh h VAL 22 Ca 0.04 -2.34 -0.01 0.00 0.82 0.00 0.00 66.70 65.20 1qgh h VAL 22 Cb 0.39 2.57 -0.04 0.00 -1.52 0.00 0.00 31.29 32.69 1qgh h VAL 22 CO 0.02 0.72 0.44 0.15 0.02 0.00 0.00 177.57 178.92 1qgh h PHE 23 N 0.29 1.04 -0.78 1.57 3.57 -0.17 -1.19 116.94 121.27 1qgh h PHE 23 Ca -0.16 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.31 1qgh h PHE 23 Cb 1.78 -0.34 -0.04 0.00 2.79 0.00 0.00 35.95 40.15 1qgh h PHE 23 CO 0.11 0.72 0.41 0.00 -2.23 0.00 0.00 178.31 177.32 1qgh h THR 24 N 1.06 1.23 -0.08 4.41 1.03 -0.99 0.11 112.91 119.67 1qgh h THR 24 Ca 0.27 -0.60 -0.12 0.00 -0.01 0.00 0.00 66.41 65.95 1qgh h THR 24 Cb 0.00 0.19 -0.01 0.00 -1.07 0.00 0.00 68.15 67.26 1qgh h THR 24 CO -0.05 0.27 -0.48 0.58 -0.01 0.00 0.00 175.52 175.83 1qgh h VAL 25 N 1.10 1.34 -0.37 0.00 2.07 -1.37 -2.16 116.25 116.85 1qgh h VAL 25 Ca 0.27 -1.69 -0.09 0.00 0.82 0.00 0.00 66.70 66.01 1qgh h VAL 25 Cb 0.05 1.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 1qgh h VAL 25 CO -0.04 0.50 -0.15 0.50 0.02 0.00 0.00 177.57 178.40 1qgh h LYS 26 N 0.17 0.68 -0.66 1.57 3.64 0.15 -0.93 116.57 121.19 1qgh h LYS 26 Ca 0.01 -0.23 -0.07 0.00 -1.27 0.00 0.00 60.65 59.09 1qgh h LYS 26 Cb 0.92 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.66 1qgh h LYS 26 CO 0.07 0.80 0.15 0.82 -2.27 0.00 0.00 179.45 179.02 1qgh h ILE 27 N 0.61 1.26 -0.74 2.00 2.04 -0.44 -1.67 117.51 120.57 1qgh h ILE 27 Ca 0.10 -0.96 -0.05 0.00 1.00 0.00 0.00 64.86 64.95 1qgh h ILE 27 Cb 0.61 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 37.25 1qgh h ILE 27 CO 0.04 0.36 0.25 0.45 0.00 0.00 0.00 178.15 179.26 1qgh h HIS 28 N 1.00 1.17 -0.24 1.37 3.86 -0.75 -1.66 115.15 119.91 1qgh h HIS 28 Ca 0.21 -0.10 0.02 0.00 -1.16 0.00 0.00 60.37 59.33 1qgh h HIS 28 Cb 0.37 -0.34 -0.02 0.00 1.06 0.00 0.00 27.41 28.48 1qgh h HIS 28 CO 0.03 0.91 0.11 0.37 0.86 0.00 0.00 177.93 180.21 1qgh h GLN 29 N 1.10 0.24 -0.54 2.45 4.15 -0.31 0.31 115.11 122.50 1qgh h GLN 29 Ca 0.24 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.65 1qgh h GLN 29 Cb 0.27 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 27.88 1qgh h GLN 29 CO -0.01 0.16 0.33 0.82 -1.93 0.00 0.00 178.83 178.20 1qgh h ILE 30 N 0.24 1.15 0.00 2.39 2.04 -1.15 0.66 117.51 122.84 1qgh h ILE 30 Ca 0.10 -0.31 -0.15 0.00 1.00 0.00 0.00 64.86 65.50 1qgh h ILE 30 Cb 0.03 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 36.47 1qgh h ILE 30 CO -0.07 0.15 -0.70 -0.74 0.00 0.00 0.00 178.15 176.79 1qgh h HIS 31 N 0.74 0.00 0.13 1.37 2.76 -0.58 -0.98 115.15 118.59 1qgh h HIS 31 Ca 0.20 0.00 -0.35 0.00 -2.20 0.00 0.00 60.37 58.01 1qgh h HIS 31 Cb -0.05 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 28.90 1qgh h HIS 31 CO 0.00 0.70 -1.89 -1.49 -1.30 0.00 0.00 177.93 173.96 1qgh h TRP 32 N 0.00 0.51 0.00 5.26 6.55 -0.57 -3.39 115.95 124.31 1qgh h TRP 32 Ca -0.01 -0.38 0.00 0.00 0.95 0.00 0.00 58.89 59.46 1qgh h TRP 32 Cb 1.32 -0.02 0.00 0.00 -0.86 0.00 0.00 29.16 29.60 1qgh h TRP 32 CO 0.00 1.69 -0.63 0.66 -1.05 0.00 0.00 178.44 179.10 1qgh n TYR 33 N -3.48 0.56 -1.22 0.49 4.01 0.19 -4.96 117.16 112.74 1qgh n TYR 33 Ca -0.28 0.16 -0.35 0.00 -0.16 0.00 0.00 57.90 57.28 1qgh n TYR 33 Cb 1.06 -0.66 0.10 0.00 -0.31 0.00 0.00 39.34 39.53 1qgh n TYR 33 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1qgh n MET 34 N -2.12 0.33 -3.69 -0.72 0.00 -0.37 -4.93 117.12 105.62 1qgh n MET 34 Ca 0.03 0.18 -0.13 0.00 0.00 0.00 0.00 57.70 57.78 1qgh n MET 34 Cb 0.44 -2.26 -0.07 0.00 0.00 0.00 0.00 33.22 31.33 1qgh n MET 34 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 175.97 177.00 1qgh s ARG 35 N -3.62 0.86 0.00 3.17 0.52 -1.26 -5.02 118.95 113.60 1qgh s ARG 35 Ca 0.72 -0.31 0.00 0.00 -0.52 0.00 0.00 55.73 55.62 1qgh s ARG 35 Cb -0.32 0.38 0.00 0.00 0.52 0.00 0.00 34.95 35.54 1qgh s ARG 35 CO 0.52 -0.28 0.00 0.41 0.02 0.00 0.00 175.30 175.97 1qgh n GLY 36 N 0.70 2.57 0.36 -3.53 0.00 -1.26 -4.40 105.19 99.63 1qgh n GLY 36 Ca -0.19 -2.01 0.19 0.00 0.00 0.00 0.00 46.02 44.01 1qgh n GLY 36 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1qgh h HIS 37 N 0.00 0.00 -0.29 1.61 3.86 -2.06 0.42 115.15 118.69 1qgh h HIS 37 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1qgh h HIS 37 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 1qgh h HIS 37 CO 0.00 0.00 0.00 0.09 0.86 0.00 0.00 177.93 178.88 1qgh n ASN 38 N -3.85 1.82 -0.14 2.45 4.13 -1.26 -4.48 115.26 113.93 1qgh n ASN 38 Ca 0.05 -1.90 -0.06 0.00 1.68 0.00 0.00 54.58 54.35 1qgh n ASN 38 Cb 0.47 -0.19 0.00 0.00 -1.54 0.00 0.00 39.78 38.52 1qgh n ASN 38 CO 0.00 0.00 0.00 0.15 0.28 0.00 0.00 177.26 177.69 1qgh h PHE 39 N 2.12 -0.74 0.08 3.10 3.57 -1.22 -0.57 116.94 123.27 1qgh h PHE 39 Ca 0.00 0.06 0.01 0.00 3.53 0.00 0.00 57.97 61.57 1qgh h PHE 39 Cb 0.48 0.39 -0.02 0.00 2.79 0.00 0.00 35.95 39.59 1qgh h PHE 39 CO 0.19 -0.35 -0.15 0.74 -2.23 0.00 0.00 178.31 176.52 1qgh h PHE 40 N -0.18 -0.39 -0.07 0.41 0.04 -1.83 0.35 116.94 115.27 1qgh h PHE 40 Ca 0.20 0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.98 1qgh h PHE 40 Cb 0.51 0.16 -0.00 0.00 2.20 0.00 0.00 35.95 38.82 1qgh h PHE 40 CO -0.53 -0.23 0.03 0.00 -0.60 0.00 0.00 178.31 176.99 1qgh h THR 41 N -0.29 1.12 0.00 -1.55 1.03 -1.82 -2.55 112.91 108.85 1qgh h THR 41 Ca 0.03 -0.35 -0.10 0.00 -0.01 0.00 0.00 66.41 65.97 1qgh h THR 41 Cb 0.31 1.23 -0.01 0.00 -1.07 0.00 0.00 68.15 68.61 1qgh h THR 41 CO -0.09 0.10 -0.50 -0.07 -0.01 0.00 0.00 175.52 174.95 1qgh h LEU 42 N -0.02 0.00 -0.40 0.00 4.07 -1.01 -1.80 115.31 116.15 1qgh h LEU 42 Ca 0.02 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.97 1qgh h LEU 42 Cb 0.14 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.86 1qgh h LEU 42 CO -0.00 0.50 0.20 -0.74 -1.08 0.00 0.00 178.44 177.32 1qgh h HIS 43 N 0.00 0.56 -0.40 1.13 2.76 -0.12 -1.02 115.15 118.06 1qgh h HIS 43 Ca -0.00 -0.02 -0.15 0.00 -2.20 0.00 0.00 60.37 57.99 1qgh h HIS 43 Cb 1.01 -0.18 -0.01 0.00 1.55 0.00 0.00 27.41 29.78 1qgh h HIS 43 CO 0.00 0.45 -0.35 0.93 -1.30 0.00 0.00 177.93 177.65 1qgh h GLU 44 N 0.51 0.93 -0.74 5.26 5.08 -1.27 -2.88 114.58 121.47 1qgh h GLU 44 Ca 0.14 -0.47 0.05 0.00 -1.00 0.00 0.00 59.36 58.08 1qgh h GLU 44 Cb 0.09 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.30 1qgh h GLU 44 CO -0.02 1.13 0.49 -0.22 -1.00 0.00 0.00 179.01 179.38 1qgh h LYS 45 N 0.77 0.80 -0.20 2.33 1.63 -1.10 -0.14 116.57 120.66 1qgh h LYS 45 Ca 0.07 -0.05 -0.09 0.00 -0.85 0.00 0.00 60.65 59.73 1qgh h LYS 45 Cb 0.94 -0.18 -0.01 0.00 -0.60 0.00 0.00 32.23 32.38 1qgh h LYS 45 CO 0.09 0.53 -0.28 0.52 -3.45 0.00 0.00 179.45 176.86 1qgh h MET 46 N 0.82 0.39 -0.80 1.90 2.86 -0.98 -1.73 114.93 117.39 1qgh h MET 46 Ca 0.31 -0.15 -0.02 0.00 -2.06 0.00 0.00 59.70 57.78 1qgh h MET 46 Cb 0.18 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.78 1qgh h MET 46 CO -0.10 0.63 0.41 -0.44 1.06 0.00 0.00 176.91 178.48 1qgh h ASP 47 N 0.34 1.01 -0.45 1.22 3.32 -0.91 0.91 116.42 121.87 1qgh h ASP 47 Ca 0.05 -0.10 -0.07 0.00 0.02 0.00 0.00 57.03 56.93 1qgh h ASP 47 Cb 0.67 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.94 1qgh h ASP 47 CO 0.05 0.83 -0.00 0.44 -1.72 0.00 0.00 179.24 178.84 1qgh h ASP 48 N 1.12 0.78 -0.53 6.45 3.32 -0.70 -2.12 116.42 124.74 1qgh h ASP 48 Ca 0.28 -0.31 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 1qgh h ASP 48 Cb 0.06 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 1qgh h ASP 48 CO -0.04 0.89 0.29 -0.07 -1.72 0.00 0.00 179.24 178.60 1qgh h LEU 49 N 0.64 0.65 -0.50 1.55 4.07 -0.78 -0.69 115.31 120.26 1qgh h LEU 49 Ca 0.13 -0.09 0.05 0.00 0.08 0.00 0.00 57.88 58.05 1qgh h LEU 49 Cb 0.50 -0.17 -0.05 0.00 1.08 0.00 0.00 40.66 42.02 1qgh h LEU 49 CO 0.02 0.55 0.23 0.22 -1.08 0.00 0.00 178.44 178.39 1qgh h TYR 50 N 0.70 0.42 -0.26 1.13 3.20 -0.57 0.28 116.97 121.86 1qgh h TYR 50 Ca 0.19 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.99 1qgh h TYR 50 Cb 0.04 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.19 1qgh h TYR 50 CO -0.02 0.19 -0.19 0.77 -1.64 0.00 0.00 178.16 177.28 1qgh h SER 51 N 0.45 0.62 -0.60 -2.11 0.02 -1.22 -1.17 113.55 109.54 1qgh h SER 51 Ca 0.22 -0.44 -0.03 0.00 -0.84 0.00 0.00 61.79 60.70 1qgh h SER 51 Cb 0.16 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.50 1qgh h SER 51 CO -0.18 0.93 0.25 -0.08 -1.14 0.00 0.00 176.83 176.61 1qgh h GLU 52 N 0.32 0.89 0.00 3.45 4.81 -0.25 -1.68 114.58 122.12 1qgh h GLU 52 Ca 0.05 -0.16 -0.10 0.00 -0.13 0.00 0.00 59.36 59.03 1qgh h GLU 52 Cb 0.72 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 1qgh h GLU 52 CO 0.05 0.75 -0.47 0.74 -0.73 0.00 0.00 179.01 179.36 1qgh h PHE 53 N 0.83 0.00 -0.34 0.92 0.04 -0.50 -1.66 116.94 116.23 1qgh h PHE 53 Ca 0.20 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.89 1qgh h PHE 53 Cb 0.19 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.33 1qgh h PHE 53 CO 0.01 0.47 -0.12 0.78 -0.60 0.00 0.00 178.31 178.84 1qgh h GLY 54 N 2.92 0.63 1.28 -1.45 0.00 -1.01 0.29 103.07 105.71 1qgh h GLY 54 Ca -0.00 -0.45 -0.22 0.00 0.00 0.00 0.00 47.33 46.66 1qgh h GLY 54 CO 0.06 0.41 -0.80 0.83 0.00 0.00 0.00 176.54 177.05 1qgh h GLU 55 N 0.53 0.70 -0.58 4.80 5.08 -0.89 -1.84 114.58 122.38 1qgh h GLU 55 Ca 0.10 -0.59 0.06 0.00 -1.00 0.00 0.00 59.36 57.92 1qgh h GLU 55 Cb 0.53 0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.85 1qgh h GLU 55 CO 0.03 1.20 0.29 1.96 -1.00 0.00 0.00 179.01 181.50 1qgh h GLN 56 N 0.47 0.53 0.60 2.33 4.20 -0.78 -0.34 115.11 122.12 1qgh h GLN 56 Ca -0.06 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.60 1qgh h GLN 56 Cb 1.42 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 29.07 1qgh h GLN 56 CO 0.16 0.35 -0.45 1.98 -0.67 0.00 0.00 178.83 180.20 1qgh h MET 57 N 0.55 -0.98 -0.92 1.46 4.05 -0.84 0.12 114.93 118.37 1qgh h MET 57 Ca 0.26 0.07 0.12 0.00 -0.28 0.00 0.00 59.70 59.87 1qgh h MET 57 Cb 0.19 0.22 -0.07 0.00 -0.80 0.00 0.00 31.60 31.15 1qgh h MET 57 CO -0.19 -0.66 0.59 0.22 0.23 0.00 0.00 176.91 177.10 1qgh h ASP 58 N -1.02 0.78 -0.27 1.39 3.58 -0.95 -0.63 116.42 119.29 1qgh h ASP 58 Ca -0.07 0.03 -0.12 0.00 0.42 0.00 0.00 57.03 57.29 1qgh h ASP 58 Cb 0.85 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.77 1qgh h ASP 58 CO 0.02 0.43 -0.26 -0.33 -2.88 0.00 0.00 179.24 176.22 1qgh h GLU 59 N 0.84 0.76 -0.14 0.28 5.08 -0.31 0.14 114.58 121.23 1qgh h GLU 59 Ca 0.44 -0.32 -0.02 0.00 -1.00 0.00 0.00 59.36 58.46 1qgh h GLU 59 Cb 0.53 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1qgh h GLU 59 CO -0.21 0.94 0.02 0.28 -1.00 0.00 0.00 179.01 179.04 1qgh h VAL 60 N 0.66 1.22 -0.58 3.13 2.07 -0.05 0.97 116.25 123.67 1qgh h VAL 60 Ca 0.08 -0.71 0.04 0.00 0.82 0.00 0.00 66.70 66.93 1qgh h VAL 60 Cb 0.77 1.42 -0.04 0.00 -1.52 0.00 0.00 31.29 31.92 1qgh h VAL 60 CO 0.06 0.21 0.34 0.00 0.02 0.00 0.00 177.57 178.20 1qgh h ALA 61 N 0.80 0.76 -0.15 1.67 0.00 -0.93 -0.06 119.26 121.35 1qgh h ALA 61 Ca 0.04 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 1qgh h ALA 61 Cb 0.30 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1qgh h ALA 61 CO 0.00 0.04 -0.35 0.93 0.00 0.00 0.00 179.25 179.88 1qgh h GLU 62 N 0.66 0.30 -0.31 0.00 5.08 -0.49 -1.72 114.58 118.10 1qgh h GLU 62 Ca 0.24 -0.13 -0.11 0.00 -1.00 0.00 0.00 59.36 58.36 1qgh h GLU 62 Cb 0.08 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1qgh h GLU 62 CO -0.13 0.62 -0.28 -0.09 -1.00 0.00 0.00 179.01 178.13 1qgh h ARG 63 N 0.26 0.63 -0.22 2.33 9.65 0.07 -0.72 114.38 126.37 1qgh h ARG 63 Ca 0.03 -0.26 -0.02 0.00 -1.10 0.00 0.00 59.98 58.63 1qgh h ARG 63 Cb 0.74 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.29 1qgh h ARG 63 CO 0.06 0.84 0.07 1.25 2.80 0.00 0.00 179.97 184.98 1qgh h LEU 64 N 0.54 0.33 -0.47 3.80 5.85 -0.57 -1.64 115.31 123.15 1qgh h LEU 64 Ca 0.07 -0.20 0.04 0.00 0.84 0.00 0.00 57.88 58.62 1qgh h LEU 64 Cb 0.75 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.66 1qgh h LEU 64 CO 0.06 0.44 0.24 0.25 -0.34 0.00 0.00 178.44 179.09 1qgh h LEU 65 N 0.19 0.35 -2.15 2.25 5.85 -1.04 0.31 115.31 121.08 1qgh h LEU 65 Ca 0.07 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 1qgh h LEU 65 Cb 0.23 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.22 1qgh h LEU 65 CO -0.00 0.25 -0.03 0.00 -0.34 0.00 0.00 178.44 178.32 1qgh h ALA 66 N 1.24 1.73 -0.47 1.25 0.00 -0.80 0.19 119.26 122.41 1qgh h ALA 66 Ca 0.20 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1qgh h ALA 66 Cb 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1qgh h ALA 66 CO -0.13 0.03 0.00 0.44 0.00 0.00 0.00 179.25 179.59 1qgh n ILE 67 N -4.18 1.26 -0.74 0.00 -5.35 -0.64 -4.91 119.36 104.81 1qgh n ILE 67 Ca -0.03 -0.82 0.00 0.00 -0.27 0.00 0.00 62.75 61.63 1qgh n ILE 67 Cb 0.11 0.03 0.00 0.00 -1.74 0.00 0.00 39.64 38.04 1qgh n ILE 67 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1qgh n GLY 68 N 0.92 0.58 2.34 3.28 0.00 0.66 -5.06 105.19 107.91 1qgh n GLY 68 Ca 0.18 -0.41 -0.15 0.00 0.00 0.00 0.00 46.02 45.64 1qgh n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qgh n GLY 69 N -2.74 0.13 2.63 -0.02 0.00 0.99 -4.97 105.19 101.21 1qgh n GLY 69 Ca 0.00 -1.92 -0.28 0.00 0.00 0.00 0.00 46.02 43.82 1qgh n GLY 69 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qgh s SER 70 N -3.58 3.33 0.50 1.61 0.01 -1.26 -4.25 113.70 110.06 1qgh s SER 70 Ca 0.41 -1.17 -0.23 0.00 1.31 0.00 0.00 55.95 56.28 1qgh s SER 70 Cb -0.02 -0.50 -0.06 0.00 0.21 0.00 0.00 66.02 65.65 1qgh s SER 70 CO 0.28 -0.39 1.30 -2.16 0.41 0.00 0.00 173.24 172.68 1qgh s PRO 71 N 1.95 3.42 0.71 12.44 0.04 -1.26 -4.97 135.00 147.32 1qgh s PRO 71 Ca 0.06 2.11 -0.16 0.00 0.04 0.00 0.00 61.00 63.05 1qgh s PRO 71 Cb -0.16 -2.37 0.03 0.00 0.04 0.00 0.00 34.50 32.04 1qgh s PRO 71 CO -0.24 -0.93 1.21 -0.06 0.04 0.00 0.00 177.00 177.03 1qgh s PHE 72 N -1.36 2.10 -0.33 0.56 0.08 -1.26 -4.94 117.98 112.82 1qgh s PHE 72 Ca 0.67 1.58 0.14 0.00 0.12 0.00 0.00 56.93 59.45 1qgh s PHE 72 Cb -0.37 -3.48 0.43 0.00 -0.57 0.00 0.00 43.02 39.02 1qgh s PHE 72 CO 0.45 -2.58 1.41 -1.13 -0.10 0.00 0.00 175.22 173.27 1qgh n SER 73 N -2.54 -0.84 -3.72 1.36 3.41 -1.26 -4.95 113.62 105.08 1qgh n SER 73 Ca 0.14 -2.24 -0.13 0.00 -0.26 0.00 0.00 58.87 56.37 1qgh n SER 73 Cb 0.50 0.47 -0.08 0.00 -0.26 0.00 0.00 64.21 64.84 1qgh n SER 73 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1qgh s THR 74 N -0.73 0.06 0.26 6.66 -4.23 -1.26 -5.03 115.64 111.36 1qgh s THR 74 Ca 0.15 -0.46 -0.04 0.00 -1.18 0.00 0.00 61.69 60.17 1qgh s THR 74 Cb 0.42 -0.78 0.25 0.00 1.34 0.00 0.00 72.50 73.73 1qgh s THR 74 CO -0.10 -0.25 1.87 -0.07 -0.54 0.00 0.00 174.62 175.52 1qgh h LEU 75 N 3.49 0.95 -0.12 4.79 4.07 -1.98 -1.14 115.31 125.36 1qgh h LEU 75 Ca -0.30 0.01 0.03 0.00 0.08 0.00 0.00 57.88 57.70 1qgh h LEU 75 Cb 1.18 -0.19 -0.03 0.00 1.08 0.00 0.00 40.66 42.71 1qgh h LEU 75 CO 0.42 0.60 -0.05 0.50 -1.08 0.00 0.00 178.44 178.83 1qgh h LYS 76 N 1.08 -0.03 -0.72 1.13 3.64 -1.99 0.42 116.57 120.10 1qgh h LYS 76 Ca 0.41 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.77 1qgh h LYS 76 Cb 0.18 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.98 1qgh h LYS 76 CO -0.18 -0.02 0.35 0.93 -2.27 0.00 0.00 179.45 178.26 1qgh h GLU 77 N -0.03 1.02 0.06 1.90 5.08 -1.84 -0.72 114.58 120.05 1qgh h GLU 77 Ca 0.07 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1qgh h GLU 77 Cb 0.13 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1qgh h GLU 77 CO -0.14 0.79 -0.03 0.74 -1.00 0.00 0.00 179.01 179.37 1qgh h PHE 78 N 1.02 -0.07 -0.79 4.33 0.04 -0.12 -1.16 116.94 120.18 1qgh h PHE 78 Ca 0.25 -0.00 0.09 0.00 2.80 0.00 0.00 57.97 61.11 1qgh h PHE 78 Cb 0.10 0.02 -0.07 0.00 2.20 0.00 0.00 35.95 38.20 1qgh h PHE 78 CO 0.01 0.10 0.44 -0.07 -0.60 0.00 0.00 178.31 178.19 1qgh h LEU 79 N -0.23 0.61 -1.43 1.54 3.38 0.14 0.27 115.31 119.59 1qgh h LEU 79 Ca -0.01 0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 1qgh h LEU 79 Cb 0.21 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1qgh h LEU 79 CO 0.01 0.35 -0.29 -0.33 0.09 0.00 0.00 178.44 178.27 1qgh h GLU 80 N 0.74 0.00 0.00 1.13 5.08 -0.85 -3.30 114.58 117.37 1qgh h GLU 80 Ca 0.38 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.74 1qgh h GLU 80 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1qgh h GLU 80 CO -0.25 0.29 -1.52 0.09 -1.00 0.00 0.00 179.01 176.61 1qgh n ASN 81 N -4.10 1.32 -4.77 1.42 4.13 -0.47 -5.03 115.26 107.77 1qgh n ASN 81 Ca -0.02 -0.16 -0.38 0.00 1.68 0.00 0.00 54.58 55.70 1qgh n ASN 81 Cb 0.34 1.58 -0.00 0.00 -1.54 0.00 0.00 39.78 40.16 1qgh n ASN 81 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1qgh s ALA 82 N -2.96 3.05 -0.19 5.41 0.00 -0.01 -4.83 121.76 122.23 1qgh s ALA 82 Ca -0.04 1.07 0.21 0.00 0.00 0.00 0.00 51.96 53.20 1qgh s ALA 82 Cb 0.10 -3.43 -0.06 0.00 0.00 0.00 0.00 23.12 19.72 1qgh s ALA 82 CO 0.64 -0.78 0.93 -1.13 0.00 0.00 0.00 175.76 175.42 1qgh n SER 83 N -0.32 0.77 -4.75 0.00 3.41 -1.26 -4.89 113.62 106.59 1qgh n SER 83 Ca 0.06 0.31 -0.41 0.00 -0.26 0.00 0.00 58.87 58.57 1qgh n SER 83 Cb 0.46 0.52 -0.03 0.00 -0.26 0.00 0.00 64.21 64.90 1qgh n SER 83 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1qgh s VAL 84 N -3.26 3.18 0.08 -3.33 1.01 -1.26 -5.00 120.40 111.82 1qgh s VAL 84 Ca -0.02 1.05 -0.03 0.00 0.00 0.00 0.00 61.98 62.98 1qgh s VAL 84 Cb 0.10 -3.67 -0.05 0.00 0.00 0.00 0.00 36.38 32.76 1qgh s VAL 84 CO 0.81 0.19 0.29 -1.61 0.00 0.00 0.00 175.10 174.78 1qgh s GLU 85 N -0.72 3.54 0.11 2.72 0.41 -1.26 -5.00 118.70 118.51 1qgh s GLU 85 Ca 0.53 -0.22 0.04 0.00 -0.41 0.00 0.00 54.97 54.91 1qgh s GLU 85 Cb -0.36 -2.97 -0.04 0.00 -1.78 0.00 0.00 34.13 28.99 1qgh s GLU 85 CO 0.42 0.56 -0.10 -1.83 -0.49 0.00 0.00 175.26 173.82 1qgh s GLU 86 N -2.42 0.92 -0.17 1.61 -1.05 -1.26 -5.02 118.70 111.30 1qgh s GLU 86 Ca 0.36 -1.27 -0.14 0.00 -0.15 0.00 0.00 54.97 53.77 1qgh s GLU 86 Cb -0.13 -0.54 0.05 0.00 -0.44 0.00 0.00 34.13 33.07 1qgh s GLU 86 CO 0.24 0.07 0.45 0.00 0.95 0.00 0.00 175.26 176.97 1qgh s ALA 87 N -2.83 -1.12 0.61 -0.84 0.00 -1.26 -5.15 121.76 111.17 1qgh s ALA 87 Ca 0.10 1.39 -0.18 0.00 0.00 0.00 0.00 51.96 53.26 1qgh s ALA 87 Cb -0.00 -0.82 -0.04 0.00 0.00 0.00 0.00 23.12 22.25 1qgh s ALA 87 CO -0.00 -0.23 1.00 -0.35 0.00 0.00 0.00 175.76 176.17 1qgh n PRO 88 N 3.31 0.91 -3.20 0.00 -0.04 -1.26 -4.91 135.00 129.81 1qgh n PRO 88 Ca -0.16 0.35 -0.43 0.00 -0.04 0.00 0.00 63.50 63.22 1qgh n PRO 88 Cb 0.56 -2.21 -0.08 0.00 -0.04 0.00 0.00 33.50 31.74 1qgh n PRO 88 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1qgh s TYR 89 N -1.50 3.11 0.00 0.54 6.14 -1.26 -4.85 117.35 119.53 1qgh s TYR 89 Ca 0.77 -0.16 -0.01 0.00 0.64 0.00 0.00 57.07 58.31 1qgh s TYR 89 Cb -0.41 -3.15 -0.00 0.00 0.42 0.00 0.00 41.96 38.82 1qgh s TYR 89 CO 0.46 -0.78 -0.02 0.25 0.64 0.00 0.00 175.55 176.10 1qgh n THR 90 N 5.67 0.20 -2.55 4.34 -2.24 -1.26 -5.02 114.28 113.42 1qgh n THR 90 Ca -0.04 0.19 -0.37 0.00 -2.27 0.00 0.00 64.05 61.56 1qgh n THR 90 Cb 0.48 -1.27 -0.04 0.00 -2.10 0.00 0.00 70.33 67.39 1qgh n THR 90 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1qgh s LYS 91 N -1.20 4.25 0.82 -0.78 2.20 -1.26 -5.00 119.74 118.76 1qgh s LYS 91 Ca -0.02 1.53 -0.11 0.00 -0.36 0.00 0.00 55.97 57.01 1qgh s LYS 91 Cb 0.00 -2.63 0.09 0.00 -1.51 0.00 0.00 37.83 33.78 1qgh s LYS 91 CO 0.02 -0.07 1.13 -2.14 -0.36 0.00 0.00 175.35 173.93 1qgh s PRO 92 N -2.35 1.79 0.01 4.03 0.02 -1.26 -5.01 135.00 132.23 1qgh s PRO 92 Ca 0.56 1.40 0.01 0.00 0.02 0.00 0.00 61.00 62.99 1qgh s PRO 92 Cb -0.23 -1.83 -0.01 0.00 0.02 0.00 0.00 34.50 32.46 1qgh s PRO 92 CO 0.29 -2.03 -0.05 0.15 -0.33 0.00 0.00 177.00 175.03 1qgh s LYS 93 N -4.65 0.38 0.78 5.54 1.02 -1.26 -5.14 119.74 116.42 1qgh s LYS 93 Ca 0.65 -0.33 -0.13 0.00 0.02 0.00 0.00 55.97 56.18 1qgh s LYS 93 Cb -0.21 -0.29 0.07 0.00 -0.52 0.00 0.00 37.83 36.88 1qgh s LYS 93 CO 0.55 0.07 1.17 0.99 -0.92 0.00 0.00 175.35 177.21 1qgh s THR 94 N -0.50 2.40 0.14 2.17 2.01 -1.26 -4.73 115.64 115.87 1qgh s THR 94 Ca -0.02 0.17 -0.18 0.00 0.31 0.00 0.00 61.69 61.97 1qgh s THR 94 Cb -0.04 -2.57 -0.01 0.00 0.01 0.00 0.00 72.50 69.88 1qgh s THR 94 CO -0.00 -0.13 1.75 -0.03 -0.69 0.00 0.00 174.62 175.51 1qgh h MET 95 N -0.81 0.20 -0.55 4.92 4.05 -2.00 -1.04 114.93 119.71 1qgh h MET 95 Ca -0.46 -0.01 -0.04 0.00 -0.28 0.00 0.00 59.70 58.91 1qgh h MET 95 Cb 1.28 -0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 32.01 1qgh h MET 95 CO 0.48 0.14 0.20 -0.44 0.23 0.00 0.00 176.91 177.51 1qgh h ASP 96 N 0.21 0.74 -0.51 1.39 5.19 -1.95 0.37 116.42 121.86 1qgh h ASP 96 Ca 0.13 -0.10 -0.02 0.00 -0.62 0.00 0.00 57.03 56.42 1qgh h ASP 96 Cb 0.11 -0.19 -0.02 0.00 0.18 0.00 0.00 39.33 39.40 1qgh h ASP 96 CO -0.14 0.68 0.24 1.56 -3.12 0.00 0.00 179.24 178.45 1qgh h GLN 97 N 0.79 0.74 -0.31 3.56 4.20 -1.64 0.11 115.11 122.56 1qgh h GLN 97 Ca 0.19 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 1qgh h GLN 97 Cb 0.19 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 1qgh h GLN 97 CO -0.01 0.63 0.15 -0.07 -0.67 0.00 0.00 178.83 178.86 1qgh h LEU 98 N 0.68 0.41 -1.14 1.46 3.38 -0.67 -1.99 115.31 117.44 1qgh h LEU 98 Ca 0.17 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1qgh h LEU 98 Cb 0.14 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 1qgh h LEU 98 CO -0.02 0.42 0.44 0.24 0.09 0.00 0.00 178.44 179.61 1qgh h MET 99 N 0.37 1.02 -0.33 1.13 2.86 -0.56 -0.04 114.93 119.39 1qgh h MET 99 Ca 0.11 -0.10 -0.05 0.00 -2.06 0.00 0.00 59.70 57.60 1qgh h MET 99 Cb 0.12 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 31.55 1qgh h MET 99 CO -0.01 0.73 -0.01 0.93 1.06 0.00 0.00 176.91 179.60 1qgh h GLU 100 N 1.04 0.52 -0.27 1.72 5.08 -0.44 0.54 114.58 122.76 1qgh h GLU 100 Ca 0.27 -0.11 -0.16 0.00 -1.00 0.00 0.00 59.36 58.36 1qgh h GLU 100 Cb -0.02 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.16 1qgh h GLU 100 CO -0.05 0.56 -0.45 0.22 -1.00 0.00 0.00 179.01 178.29 1qgh h ASP 101 N 0.50 0.87 0.19 1.42 3.58 -0.58 0.07 116.42 122.47 1qgh h ASP 101 Ca 0.11 -0.52 -0.01 0.00 0.42 0.00 0.00 57.03 57.03 1qgh h ASP 101 Cb 0.34 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 41.15 1qgh h ASP 101 CO 0.01 1.22 -0.09 0.25 -2.88 0.00 0.00 179.24 177.76 1qgh h LEU 102 N 0.54 -0.21 -1.52 2.28 6.46 0.10 -1.85 115.31 121.11 1qgh h LEU 102 Ca 0.02 -0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 57.75 1qgh h LEU 102 Cb 1.05 0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 41.01 1qgh h LEU 102 CO 0.10 -0.12 0.24 0.58 -0.62 0.00 0.00 178.44 178.63 1qgh h VAL 103 N -0.29 1.13 -0.30 1.05 2.07 0.12 -0.69 116.25 119.34 1qgh h VAL 103 Ca -0.03 -0.30 -0.03 0.00 0.82 0.00 0.00 66.70 67.17 1qgh h VAL 103 Cb 0.23 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 1qgh h VAL 103 CO 0.04 0.13 0.07 1.23 0.02 0.00 0.00 177.57 179.07 1qgh h GLY 104 N 0.63 0.51 1.39 2.17 0.00 -0.60 0.16 103.07 107.34 1qgh h GLY 104 Ca 0.15 -0.32 -0.04 0.00 0.00 0.00 0.00 47.33 47.12 1qgh h GLY 104 CO -0.03 0.30 0.16 -0.84 0.00 0.00 0.00 176.54 176.13 1qgh h THR 105 N 0.32 1.21 -0.53 4.70 2.02 -0.59 0.22 112.91 120.25 1qgh h THR 105 Ca 0.09 -0.71 -0.04 0.00 0.77 0.00 0.00 66.41 66.53 1qgh h THR 105 Cb 0.29 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.32 1qgh h THR 105 CO 0.00 0.27 0.19 -0.07 0.37 0.00 0.00 175.52 176.28 1qgh h LEU 106 N 0.76 0.75 -0.87 2.58 3.38 -0.84 -0.37 115.31 120.69 1qgh h LEU 106 Ca 0.17 -0.19 0.03 0.00 0.09 0.00 0.00 57.88 57.99 1qgh h LEU 106 Cb 0.23 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.73 1qgh h LEU 106 CO -0.01 0.73 0.56 -0.33 0.09 0.00 0.00 178.44 179.49 1qgh h GLU 107 N 0.72 1.08 -0.30 1.13 5.08 0.41 0.36 114.58 123.06 1qgh h GLU 107 Ca 0.17 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1qgh h GLU 107 Cb 0.23 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1qgh h GLU 107 CO -0.01 0.71 0.20 1.25 -1.00 0.00 0.00 179.01 180.16 1qgh h LEU 108 N 1.11 0.34 -0.59 1.33 6.46 -0.51 -0.45 115.31 123.00 1qgh h LEU 108 Ca 0.34 -0.01 -0.06 0.00 -0.12 0.00 0.00 57.88 58.03 1qgh h LEU 108 Cb -0.03 -0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 39.79 1qgh h LEU 108 CO -0.11 0.25 0.14 -0.07 -0.62 0.00 0.00 178.44 178.04 1qgh h LEU 109 N 0.40 0.89 -0.49 2.25 3.38 -0.08 0.46 115.31 122.12 1qgh h LEU 109 Ca 0.11 -0.23 0.05 0.00 0.09 0.00 0.00 57.88 57.89 1qgh h LEU 109 Cb -0.05 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.43 1qgh h LEU 109 CO -0.02 0.89 0.23 -0.09 0.09 0.00 0.00 178.44 179.54 1qgh h ARG 110 N 0.84 0.44 -0.45 1.13 2.43 0.12 0.33 114.38 119.23 1qgh h ARG 110 Ca 0.18 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 59.21 1qgh h ARG 110 Cb 0.35 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.79 1qgh h ARG 110 CO 0.00 0.29 -0.17 -0.44 -1.51 0.00 0.00 179.97 178.14 1qgh h ASP 111 N 0.45 0.93 -0.35 -3.80 3.32 -0.44 -1.27 116.42 115.27 1qgh h ASP 111 Ca 0.22 -0.39 -0.09 0.00 0.02 0.00 0.00 57.03 56.79 1qgh h ASP 111 Cb 0.15 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 1qgh h ASP 111 CO -0.17 1.11 -0.10 -0.33 -1.72 0.00 0.00 179.24 178.03 1qgh h GLU 112 N 0.75 0.79 -0.80 3.56 5.08 -0.55 -2.25 114.58 121.16 1qgh h GLU 112 Ca 0.11 -0.26 -0.03 0.00 -1.00 0.00 0.00 59.36 58.18 1qgh h GLU 112 Cb 0.73 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.88 1qgh h GLU 112 CO 0.06 0.86 0.37 1.88 -1.00 0.00 0.00 179.01 181.18 1qgh h TYR 113 N 0.71 1.15 -0.65 4.33 -1.99 -0.68 -0.55 116.97 119.30 1qgh h TYR 113 Ca 0.12 -0.06 0.10 0.00 2.00 0.00 0.00 58.73 60.89 1qgh h TYR 113 Cb 0.58 -0.36 -0.07 0.00 2.00 0.00 0.00 36.73 38.88 1qgh h TYR 113 CO 0.03 0.84 0.26 -0.22 -0.00 0.00 0.00 178.16 179.07 1qgh h LYS 114 N 1.14 0.44 -0.04 4.88 1.63 -0.66 0.87 116.57 124.83 1qgh h LYS 114 Ca 0.27 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 60.05 1qgh h LYS 114 Cb 0.13 -0.10 -0.00 0.00 -0.60 0.00 0.00 32.23 31.66 1qgh h LYS 114 CO -0.03 0.29 0.03 1.96 -3.45 0.00 0.00 179.45 178.25 1qgh h GLN 115 N 0.46 0.06 -0.52 1.90 1.08 -0.83 -0.98 115.11 116.27 1qgh h GLN 115 Ca 0.33 -0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.52 1qgh h GLN 115 Cb 0.40 -0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.79 1qgh h GLN 115 CO -0.31 0.07 0.32 0.78 -0.95 0.00 0.00 178.83 178.74 1qgh h GLY 116 N 0.03 0.75 0.95 3.46 0.00 0.33 -1.36 103.07 107.24 1qgh h GLY 116 Ca 0.02 -0.30 -0.02 0.00 0.00 0.00 0.00 47.33 47.03 1qgh h GLY 116 CO -0.00 0.29 0.17 -2.22 0.00 0.00 0.00 176.54 174.77 1qgh h ILE 117 N 0.72 1.19 -0.25 2.60 2.04 0.20 0.05 117.51 124.06 1qgh h ILE 117 Ca 0.19 -0.58 -0.12 0.00 1.00 0.00 0.00 64.86 65.35 1qgh h ILE 117 Cb -0.04 0.82 -0.00 0.00 -0.74 0.00 0.00 36.82 36.86 1qgh h ILE 117 CO -0.04 0.21 -0.32 -0.33 0.00 0.00 0.00 178.15 177.68 1qgh h GLU 118 N 0.51 0.65 0.16 2.37 5.08 -0.99 -2.18 114.58 120.18 1qgh h GLU 118 Ca 0.14 -0.37 0.01 0.00 -1.00 0.00 0.00 59.36 58.14 1qgh h GLU 118 Cb 0.17 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 1qgh h GLU 118 CO -0.01 0.98 -0.28 1.25 -1.00 0.00 0.00 179.01 179.95 1qgh h LEU 119 N 0.37 -0.80 -1.48 1.33 5.85 -1.06 -0.20 115.31 119.32 1qgh h LEU 119 Ca 0.03 0.09 0.10 0.00 0.84 0.00 0.00 57.88 58.94 1qgh h LEU 119 Cb 0.89 0.29 -0.05 0.00 0.37 0.00 0.00 40.66 42.17 1qgh h LEU 119 CO 0.07 -0.38 0.47 0.74 -0.34 0.00 0.00 178.44 179.00 1qgh h THR 120 N -0.53 0.92 -0.13 1.05 2.02 -1.00 0.96 112.91 116.20 1qgh h THR 120 Ca 0.02 -0.20 -0.11 0.00 0.77 0.00 0.00 66.41 66.89 1qgh h THR 120 Cb 0.53 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 67.24 1qgh h THR 120 CO -0.14 0.11 -0.34 -0.78 0.37 0.00 0.00 175.52 174.74 1qgh h ASP 121 N 0.58 0.53 -0.61 4.18 3.58 -0.80 -0.13 116.42 123.74 1qgh h ASP 121 Ca 0.33 -0.58 -0.10 0.00 0.42 0.00 0.00 57.03 57.10 1qgh h ASP 121 Cb 0.50 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.38 1qgh h ASP 121 CO -0.11 1.01 -0.01 0.11 -2.88 0.00 0.00 179.24 177.37 1qgh h LYS 122 N 0.07 1.08 0.00 0.28 1.57 0.04 -2.20 116.57 117.41 1qgh h LYS 122 Ca -0.00 -0.35 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 1qgh h LYS 122 Cb 0.95 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.16 1qgh h LYS 122 CO 0.07 1.06 0.00 0.39 -0.57 0.00 0.00 179.45 180.40 1qgh n GLU 123 N -4.17 0.07 -2.50 3.15 1.02 0.23 -4.91 120.64 113.52 1qgh n GLU 123 Ca 0.03 0.10 -0.11 0.00 -0.02 0.00 0.00 57.16 57.16 1qgh n GLU 123 Cb 0.35 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.29 1qgh n GLU 123 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1qgh n GLY 124 N 0.82 0.04 3.37 0.62 0.00 -0.67 -4.95 105.19 104.43 1qgh n GLY 124 Ca 0.07 -0.37 -0.45 0.00 0.00 0.00 0.00 46.02 45.27 1qgh n GLY 124 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1qgh s ASP 125 N -2.76 7.19 0.27 1.61 -1.08 -0.15 -4.87 116.67 116.88 1qgh s ASP 125 Ca 0.10 -3.32 -0.03 0.00 -0.52 0.00 0.00 52.55 48.78 1qgh s ASP 125 Cb -0.05 -2.25 0.37 0.00 -1.46 0.00 0.00 42.92 39.53 1qgh s ASP 125 CO 0.13 -0.44 1.93 0.44 0.52 0.00 0.00 175.17 177.75 1qgh h ASP 126 N 6.97 1.05 0.09 -0.34 3.32 -1.93 -1.52 116.42 124.06 1qgh h ASP 126 Ca 0.20 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.23 1qgh h ASP 126 Cb 0.90 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 40.20 1qgh h ASP 126 CO 1.03 0.74 -0.04 0.58 -1.72 0.00 0.00 179.24 179.83 1qgh h VAL 127 N 1.23 1.10 -0.82 -1.35 2.07 -1.95 -1.52 116.25 115.01 1qgh h VAL 127 Ca 0.37 -0.68 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 1qgh h VAL 127 Cb -0.04 1.53 -0.04 0.00 -1.52 0.00 0.00 31.29 31.22 1qgh h VAL 127 CO -0.10 0.17 0.49 0.74 0.02 0.00 0.00 177.57 178.88 1qgh h THR 128 N -0.43 1.23 -0.08 2.57 2.02 -1.91 -1.67 112.91 114.64 1qgh h THR 128 Ca -0.01 -0.51 0.04 0.00 0.77 0.00 0.00 66.41 66.70 1qgh h THR 128 Cb 0.36 0.08 -0.05 0.00 -1.74 0.00 0.00 68.15 66.80 1qgh h THR 128 CO 0.02 0.24 -0.25 -1.13 0.37 0.00 0.00 175.52 174.77 1qgh h ASN 129 N 1.13 -0.76 -0.30 4.18 -0.73 -1.13 -1.36 115.58 116.62 1qgh h ASN 129 Ca 0.29 0.11 -0.06 0.00 1.87 0.00 0.00 56.30 58.52 1qgh h ASN 129 Cb -0.04 0.32 -0.02 0.00 0.27 0.00 0.00 38.32 38.86 1qgh h ASN 129 CO -0.05 -0.30 0.02 0.44 -0.37 0.00 0.00 177.43 177.16 1qgh h ASP 130 N -0.34 0.60 0.09 1.15 5.19 -0.73 -1.17 116.42 121.19 1qgh h ASP 130 Ca 0.09 -0.12 -0.00 0.00 -0.62 0.00 0.00 57.03 56.37 1qgh h ASP 130 Cb 0.47 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 39.82 1qgh h ASP 130 CO -0.28 0.66 -0.04 0.24 -3.12 0.00 0.00 179.24 176.70 1qgh h MET 131 N 0.60 -0.11 -0.74 3.56 2.86 -0.65 -1.96 114.93 118.49 1qgh h MET 131 Ca 0.13 0.01 0.05 0.00 -2.06 0.00 0.00 59.70 57.83 1qgh h MET 131 Cb 0.36 0.03 -0.05 0.00 0.06 0.00 0.00 31.60 31.99 1qgh h MET 131 CO 0.01 -0.06 0.44 -0.07 1.06 0.00 0.00 176.91 178.29 1qgh h LEU 132 N -0.13 0.70 -0.62 1.22 4.07 -1.07 -1.48 115.31 118.00 1qgh h LEU 132 Ca -0.01 0.02 0.04 0.00 0.08 0.00 0.00 57.88 58.00 1qgh h LEU 132 Cb 0.10 -0.13 -0.04 0.00 1.08 0.00 0.00 40.66 41.67 1qgh h LEU 132 CO 0.02 0.46 0.37 0.40 -1.08 0.00 0.00 178.44 178.61 1qgh h ILE 133 N 0.83 1.03 -0.47 1.22 2.04 -0.82 0.78 117.51 122.12 1qgh h ILE 133 Ca 0.32 -0.24 -0.06 0.00 1.00 0.00 0.00 64.86 65.88 1qgh h ILE 133 Cb 0.13 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 36.45 1qgh h ILE 133 CO -0.16 0.13 0.06 0.00 0.00 0.00 0.00 178.15 178.19 1qgh h ALA 134 N 1.29 0.63 -0.74 1.87 0.00 -0.85 0.49 119.26 121.95 1qgh h ALA 134 Ca 0.26 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1qgh h ALA 134 Cb 0.08 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1qgh h ALA 134 CO -0.13 0.37 0.38 0.74 0.00 0.00 0.00 179.25 180.61 1qgh h PHE 135 N 0.66 1.03 -0.79 0.00 0.04 -0.90 -2.40 116.94 114.57 1qgh h PHE 135 Ca 0.14 -0.04 0.03 0.00 2.80 0.00 0.00 57.97 60.90 1qgh h PHE 135 Cb 0.41 -0.33 -0.05 0.00 2.20 0.00 0.00 35.95 38.19 1qgh h PHE 135 CO 0.03 0.74 0.51 -0.22 -0.60 0.00 0.00 178.31 178.77 1qgh h LYS 136 N 1.02 0.97 -0.79 1.51 3.64 0.38 -0.83 116.57 122.47 1qgh h LYS 136 Ca 0.26 -0.06 0.14 0.00 -1.27 0.00 0.00 60.65 59.72 1qgh h LYS 136 Cb 0.07 -0.22 -0.09 0.00 -0.41 0.00 0.00 32.23 31.58 1qgh h LYS 136 CO -0.04 0.64 0.36 0.00 -2.27 0.00 0.00 179.45 178.14 1qgh h ALA 137 N 1.33 1.15 -0.19 5.00 0.00 -0.45 0.18 119.26 126.27 1qgh h ALA 137 Ca 0.31 0.10 -0.08 0.00 0.00 0.00 0.00 54.91 55.25 1qgh h ALA 137 Cb -0.01 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1qgh h ALA 137 CO -0.10 -0.16 -0.18 1.03 0.00 0.00 0.00 179.25 179.83 1qgh h SER 138 N 0.52 0.49 -0.68 0.00 0.87 -1.06 -2.61 113.55 111.07 1qgh h SER 138 Ca 0.43 -0.47 0.07 0.00 -1.23 0.00 0.00 61.79 60.59 1qgh h SER 138 Cb 0.64 -0.14 -0.06 0.00 -0.44 0.00 0.00 62.40 62.40 1qgh h SER 138 CO -0.38 0.86 0.36 0.40 -0.53 0.00 0.00 176.83 177.54 1qgh h ILE 139 N 0.13 0.92 -0.91 2.23 2.04 -0.18 -0.50 117.51 121.23 1qgh h ILE 139 Ca 0.03 -0.22 0.05 0.00 1.00 0.00 0.00 64.86 65.72 1qgh h ILE 139 Cb 0.72 0.21 -0.06 0.00 -0.74 0.00 0.00 36.82 36.96 1qgh h ILE 139 CO 0.05 0.12 0.58 0.44 0.00 0.00 0.00 178.15 179.33 1qgh h ASP 140 N 0.65 0.94 -0.15 1.72 3.32 -0.44 0.14 116.42 122.59 1qgh h ASP 140 Ca 0.32 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.35 1qgh h ASP 140 Cb 0.26 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 1qgh h ASP 140 CO -0.22 0.62 0.00 0.50 -1.72 0.00 0.00 179.24 178.43 1qgh h LYS 141 N 1.09 0.26 -0.97 3.56 3.64 -0.97 -0.80 116.57 122.38 1qgh h LYS 141 Ca 0.38 -0.08 0.06 0.00 -1.27 0.00 0.00 60.65 59.73 1qgh h LYS 141 Cb 0.09 -0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 31.82 1qgh h LYS 141 CO -0.15 0.48 0.63 0.45 -2.27 0.00 0.00 179.45 178.59 1qgh h HIS 142 N 0.01 1.17 -0.57 1.91 3.86 -0.47 -0.74 115.15 120.31 1qgh h HIS 142 Ca 0.04 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.27 1qgh h HIS 142 Cb 0.36 -0.38 -0.03 0.00 1.06 0.00 0.00 27.41 28.42 1qgh h HIS 142 CO 0.03 0.62 0.30 0.82 0.86 0.00 0.00 177.93 180.56 1qgh h ILE 143 N 1.16 1.20 -0.70 2.45 2.04 -0.28 0.18 117.51 123.56 1qgh h ILE 143 Ca 0.41 -0.53 -0.00 0.00 1.00 0.00 0.00 64.86 65.74 1qgh h ILE 143 Cb 0.13 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 36.67 1qgh h ILE 143 CO -0.16 0.22 0.44 -0.25 0.00 0.00 0.00 178.15 178.40 1qgh h TRP 144 N 0.78 0.91 -0.20 1.37 7.01 -0.06 -1.93 115.95 123.83 1qgh h TRP 144 Ca 0.20 0.00 -0.06 0.00 2.11 0.00 0.00 58.89 61.15 1qgh h TRP 144 Cb 0.08 -0.30 -0.01 0.00 -2.10 0.00 0.00 29.16 26.84 1qgh h TRP 144 CO -0.01 0.60 -0.10 0.52 -2.79 0.00 0.00 178.44 176.67 1qgh h MET 145 N 0.95 0.41 -0.09 2.65 2.86 -0.48 -1.81 114.93 119.42 1qgh h MET 145 Ca 0.25 -0.18 -0.09 0.00 -2.06 0.00 0.00 59.70 57.62 1qgh h MET 145 Cb -0.06 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.58 1qgh h MET 145 CO -0.05 0.71 -0.35 0.74 1.06 0.00 0.00 176.91 179.01 1qgh h PHE 146 N 0.11 0.22 -0.34 -0.22 0.04 -0.67 -0.75 116.94 115.33 1qgh h PHE 146 Ca 0.04 -0.05 -0.11 0.00 2.80 0.00 0.00 57.97 60.66 1qgh h PHE 146 Cb 0.58 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.67 1qgh h PHE 146 CO 0.06 0.52 -0.21 0.87 -0.60 0.00 0.00 178.31 178.96 1qgh h LYS 147 N 0.16 0.75 -0.82 1.51 1.57 -1.28 -1.91 116.57 116.55 1qgh h LYS 147 Ca 0.02 -0.35 -0.01 0.00 -1.87 0.00 0.00 60.65 58.44 1qgh h LYS 147 Cb 0.71 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.97 1qgh h LYS 147 CO 0.05 0.96 0.45 0.00 -0.57 0.00 0.00 179.45 180.35 1qgh h ALA 148 N 0.77 1.04 -0.83 3.86 0.00 -1.08 0.37 119.26 123.39 1qgh h ALA 148 Ca 0.07 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.90 1qgh h ALA 148 Cb 0.76 -0.33 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 1qgh h ALA 148 CO 0.06 0.55 0.54 0.35 0.00 0.00 0.00 179.25 180.75 1qgh h PHE 149 N 1.13 0.97 -0.04 0.00 3.57 -0.97 0.15 116.94 121.76 1qgh h PHE 149 Ca 0.29 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.81 1qgh h PHE 149 Cb 0.02 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 38.44 1qgh h PHE 149 CO 0.00 0.55 0.00 1.28 -2.23 0.00 0.00 178.31 177.92 1qgh n LEU 150 N -4.46 0.55 0.00 0.59 4.77 -0.26 -4.90 117.00 113.30 1qgh n LEU 150 Ca 0.11 -0.21 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 1qgh n LEU 150 Cb 0.14 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1qgh n LEU 150 CO 0.34 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 1qgh n GLY 151 N 0.97 0.68 3.75 -0.72 0.00 0.52 -5.03 105.19 105.36 1qgh n GLY 151 Ca 0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 1qgh n GLY 151 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qgh s LYS 152 N -0.26 2.40 0.50 1.61 -0.14 0.11 -4.96 119.74 119.01 1qgh s LYS 152 Ca 0.00 -1.53 -0.14 0.00 -1.36 0.00 0.00 55.97 52.94 1qgh s LYS 152 Cb 0.00 -2.20 -0.07 0.00 -1.68 0.00 0.00 37.83 33.88 1qgh s LYS 152 CO 0.00 0.10 0.93 0.00 -0.76 0.00 0.00 175.35 175.62 1qgh s ALA 153 N -2.42 3.15 0.11 5.17 0.00 -1.26 -3.27 121.76 123.24 1qgh s ALA 153 Ca 0.38 0.02 -0.24 0.00 0.00 0.00 0.00 51.96 52.13 1qgh s ALA 153 Cb -0.03 -2.99 -0.08 0.00 0.00 0.00 0.00 23.12 20.02 1qgh s ALA 153 CO 0.23 -0.26 1.69 -1.35 0.00 0.00 0.00 175.76 176.07 1qgh h PRO 154 N 0.77 -0.20 -0.00 0.00 0.11 -1.87 -2.58 132.00 128.22 1qgh h PRO 154 Ca -0.46 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1qgh h PRO 154 Cb 1.19 0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1qgh h PRO 154 CO 0.62 -0.14 -0.38 1.28 -0.21 0.00 0.00 178.00 179.18 1qgh n LEU 155 N -5.25 0.86 0.00 2.35 4.77 -1.26 -4.87 117.00 113.60 1qgh n LEU 155 Ca -0.05 -0.19 0.00 0.00 -0.03 0.00 0.00 56.01 55.74 1qgh n LEU 155 Cb 0.17 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 1qgh n LEU 155 CO 0.27 0.18 0.03 1.21 -1.33 0.00 0.00 177.39 177.75