#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 0.08 0.15 4.52 -4.77 -1.26 -5.05 116.67 110.35 1qgh s ASP 8 Ca 0.00 -0.95 -0.16 0.00 -3.30 0.00 0.00 52.55 48.13 1qgh s ASP 8 Cb 0.00 0.42 0.06 0.00 -1.09 0.00 0.00 42.92 42.31 1qgh s ASP 8 CO 0.00 -0.88 1.75 0.74 0.70 0.00 0.00 175.17 177.48 1qgh h THR 9 N 2.58 0.89 -0.24 2.11 2.02 -1.98 0.69 112.91 118.99 1qgh h THR 9 Ca -0.32 -0.09 0.04 0.00 0.77 0.00 0.00 66.41 66.80 1qgh h THR 9 Cb 1.23 0.60 -0.04 0.00 -1.74 0.00 0.00 68.15 68.20 1qgh h THR 9 CO 0.49 0.05 0.01 0.11 0.37 0.00 0.00 175.52 176.56 1qgh h LYS 10 N 0.27 0.09 -0.51 6.66 1.57 -1.97 0.56 116.57 123.24 1qgh h LYS 10 Ca 0.16 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.90 1qgh h LYS 10 Cb 0.14 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 1qgh h LYS 10 CO -0.17 0.06 0.17 0.93 -0.57 0.00 0.00 179.45 179.88 1qgh h GLU 11 N 0.09 0.75 0.23 3.15 3.07 -1.83 -0.59 114.58 119.45 1qgh h GLU 11 Ca 0.11 -0.12 -0.01 0.00 -0.50 0.00 0.00 59.36 58.84 1qgh h GLU 11 Cb 0.13 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 27.92 1qgh h GLU 11 CO -0.18 0.64 -0.11 0.35 -1.40 0.00 0.00 179.01 178.32 1qgh h PHE 12 N 0.74 -0.28 -0.40 4.33 3.57 0.95 -1.75 116.94 124.09 1qgh h PHE 12 Ca 0.17 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.70 1qgh h PHE 12 Cb 0.20 0.09 -0.04 0.00 2.79 0.00 0.00 35.95 38.99 1qgh h PHE 12 CO 0.01 -0.03 0.18 -0.07 -2.23 0.00 0.00 178.31 176.17 1qgh h LEU 13 N -0.50 0.25 -1.84 0.59 4.07 0.37 -0.40 115.31 117.85 1qgh h LEU 13 Ca -0.03 0.03 -0.03 0.00 0.08 0.00 0.00 57.88 57.93 1qgh h LEU 13 Cb 0.38 -0.02 -0.00 0.00 1.08 0.00 0.00 40.66 42.10 1qgh h LEU 13 CO 0.05 0.18 -0.14 -1.13 -1.08 0.00 0.00 178.44 176.33 1qgh h ASN 14 N 0.37 0.00 -0.14 -0.43 -1.24 -1.00 0.24 115.58 113.39 1qgh h ASN 14 Ca 0.17 0.00 -0.12 0.00 0.71 0.00 0.00 56.30 57.06 1qgh h ASN 14 Cb 0.10 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.14 1qgh h ASN 14 CO -0.14 0.14 -0.32 -0.74 -1.29 0.00 0.00 177.43 175.08 1qgh h HIS 15 N 0.00 0.73 -0.08 0.67 2.76 -0.18 -2.06 115.15 116.99 1qgh h HIS 15 Ca -0.00 -0.19 -0.11 0.00 -2.20 0.00 0.00 60.37 57.87 1qgh h HIS 15 Cb 0.30 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 29.08 1qgh h HIS 15 CO 0.00 0.87 -0.46 1.96 -1.30 0.00 0.00 177.93 179.00 1qgh h GLN 16 N 0.54 0.19 -0.64 5.26 1.08 0.49 -0.92 115.11 121.11 1qgh h GLN 16 Ca 0.06 -0.10 0.03 0.00 -1.45 0.00 0.00 58.65 57.20 1qgh h GLN 16 Cb 0.81 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.20 1qgh h GLN 16 CO 0.07 0.61 0.39 0.28 -0.95 0.00 0.00 178.83 179.23 1qgh h VAL 17 N 0.16 1.07 0.11 -0.54 2.07 -0.58 0.54 116.25 119.08 1qgh h VAL 17 Ca 0.01 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 1qgh h VAL 17 Cb 0.87 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1qgh h VAL 17 CO 0.07 0.14 -0.06 0.00 0.02 0.00 0.00 177.57 177.74 1qgh h ALA 18 N 1.28 -0.15 -0.61 1.67 0.00 -0.97 -1.89 119.26 118.59 1qgh h ALA 18 Ca 0.26 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.12 1qgh h ALA 18 Cb 0.04 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 1qgh h ALA 18 CO -0.11 -0.51 0.33 -0.91 0.00 0.00 0.00 179.25 178.05 1qgh h ASN 19 N -0.31 0.50 -0.71 0.00 2.35 -0.55 -2.62 115.58 114.24 1qgh h ASN 19 Ca -0.02 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1qgh h ASN 19 Cb 0.25 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 38.52 1qgh h ASN 19 CO 0.03 0.33 0.45 -0.07 -1.65 0.00 0.00 177.43 176.52 1qgh h LEU 20 N 0.63 0.83 -1.38 1.61 4.07 0.16 -0.58 115.31 120.66 1qgh h LEU 20 Ca 0.27 -0.04 -0.03 0.00 0.08 0.00 0.00 57.88 58.15 1qgh h LEU 20 Cb 0.14 -0.21 -0.02 0.00 1.08 0.00 0.00 40.66 41.66 1qgh h LEU 20 CO -0.16 0.62 0.05 0.78 -1.08 0.00 0.00 178.44 178.65 1qgh h ASN 21 N 0.97 0.42 0.23 -0.43 2.35 -0.99 -0.88 115.58 117.24 1qgh h ASN 21 Ca 0.26 -0.06 -0.26 0.00 -0.55 0.00 0.00 56.30 55.69 1qgh h ASN 21 Cb -0.08 -0.11 0.01 0.00 0.05 0.00 0.00 38.32 38.20 1qgh h ASN 21 CO -0.05 0.45 -1.06 0.58 -1.65 0.00 0.00 177.43 175.70 1qgh h VAL 22 N 0.45 1.35 -0.62 2.81 2.07 -1.10 -3.11 116.25 118.09 1qgh h VAL 22 Ca 0.11 -2.45 -0.09 0.00 0.82 0.00 0.00 66.70 65.09 1qgh h VAL 22 Cb 0.22 2.51 -0.02 0.00 -1.52 0.00 0.00 31.29 32.48 1qgh h VAL 22 CO 0.00 0.74 0.04 0.15 0.02 0.00 0.00 177.57 178.52 1qgh h PHE 23 N 0.27 1.14 -0.76 1.57 3.57 -0.69 -1.89 116.94 120.15 1qgh h PHE 23 Ca -0.12 -0.18 -0.02 0.00 3.53 0.00 0.00 57.97 61.18 1qgh h PHE 23 Cb 1.71 -0.30 -0.03 0.00 2.79 0.00 0.00 35.95 40.11 1qgh h PHE 23 CO 0.08 0.98 0.38 0.00 -2.23 0.00 0.00 178.31 177.52 1qgh h THR 24 N 0.98 1.24 -0.19 4.41 1.03 -1.22 0.15 112.91 119.31 1qgh h THR 24 Ca 0.18 -0.66 -0.13 0.00 -0.01 0.00 0.00 66.41 65.80 1qgh h THR 24 Cb 0.50 0.28 -0.01 0.00 -1.07 0.00 0.00 68.15 67.85 1qgh h THR 24 CO 0.02 0.28 -0.42 0.58 -0.01 0.00 0.00 175.52 175.97 1qgh h VAL 25 N 1.06 1.31 -0.72 0.00 2.07 -1.43 -2.35 116.25 116.20 1qgh h VAL 25 Ca 0.26 -1.59 -0.07 0.00 0.82 0.00 0.00 66.70 66.13 1qgh h VAL 25 Cb 0.10 1.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.47 1qgh h VAL 25 CO -0.04 0.49 0.19 0.50 0.02 0.00 0.00 177.57 178.74 1qgh h LYS 26 N 0.37 1.14 -0.48 1.57 3.64 -0.51 -0.72 116.57 121.58 1qgh h LYS 26 Ca 0.03 -0.26 0.01 0.00 -1.27 0.00 0.00 60.65 59.16 1qgh h LYS 26 Cb 0.90 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.54 1qgh h LYS 26 CO 0.08 0.99 0.31 0.82 -2.27 0.00 0.00 179.45 179.38 1qgh h ILE 27 N 1.08 1.10 -0.82 2.00 2.04 -0.38 -2.09 117.51 120.45 1qgh h ILE 27 Ca 0.23 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.86 1qgh h ILE 27 Cb 0.35 0.42 -0.04 0.00 -0.74 0.00 0.00 36.82 36.81 1qgh h ILE 27 CO -0.00 0.12 0.45 0.45 0.00 0.00 0.00 178.15 179.17 1qgh h HIS 28 N 0.63 1.11 -0.34 1.37 3.86 -0.89 -0.80 115.15 120.11 1qgh h HIS 28 Ca 0.18 -0.02 0.03 0.00 -1.16 0.00 0.00 60.37 59.40 1qgh h HIS 28 Cb -0.05 -0.36 -0.03 0.00 1.06 0.00 0.00 27.41 28.03 1qgh h HIS 28 CO -0.05 0.77 0.15 0.37 0.86 0.00 0.00 177.93 180.04 1qgh h GLN 29 N 1.14 0.32 -0.68 2.45 4.15 -0.59 0.81 115.11 122.71 1qgh h GLN 29 Ca 0.29 -0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.65 1qgh h GLN 29 Cb 0.02 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 27.61 1qgh h GLN 29 CO -0.05 0.21 0.27 0.82 -1.93 0.00 0.00 178.83 178.15 1qgh h ILE 30 N 0.33 1.24 -0.42 2.39 2.04 -0.93 -0.30 117.51 121.86 1qgh h ILE 30 Ca 0.14 -0.76 -0.04 0.00 1.00 0.00 0.00 64.86 65.21 1qgh h ILE 30 Cb 0.07 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 36.60 1qgh h ILE 30 CO -0.11 0.30 0.09 -0.74 0.00 0.00 0.00 178.15 177.69 1qgh h HIS 31 N 0.96 0.64 0.12 1.37 2.76 -0.65 -0.09 115.15 120.25 1qgh h HIS 31 Ca 0.23 -0.05 -0.32 0.00 -2.20 0.00 0.00 60.37 58.03 1qgh h HIS 31 Cb 0.21 -0.19 -0.01 0.00 1.55 0.00 0.00 27.41 28.97 1qgh h HIS 31 CO 0.01 0.56 -1.63 -1.49 -1.30 0.00 0.00 177.93 174.08 1qgh h TRP 32 N 0.61 0.47 0.00 5.26 6.55 -0.48 -3.39 115.95 124.97 1qgh h TRP 32 Ca 0.14 -0.34 0.00 0.00 0.95 0.00 0.00 58.89 59.63 1qgh h TRP 32 Cb 0.25 -0.02 0.00 0.00 -0.86 0.00 0.00 29.16 28.53 1qgh h TRP 32 CO 0.01 1.45 -1.28 0.66 -1.05 0.00 0.00 178.44 178.23 1qgh n TYR 33 N -3.45 0.14 -1.66 0.49 4.01 -0.15 -4.98 117.16 111.55 1qgh n TYR 33 Ca -0.20 0.04 -0.38 0.00 -0.16 0.00 0.00 57.90 57.21 1qgh n TYR 33 Cb 1.05 -0.35 0.05 0.00 -0.31 0.00 0.00 39.34 39.79 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 -1.94 1.09 -3.76 -0.72 0.00 -0.06 -4.95 117.12 106.78 1qgh n MET 34 Ca 0.01 0.42 -0.11 0.00 0.00 0.00 0.00 57.70 58.01 1qgh n MET 34 Cb 0.45 -2.32 -0.07 0.00 0.00 0.00 0.00 33.22 31.28 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 -2.91 0.81 0.00 3.17 0.52 -1.26 -4.99 118.95 114.28 1qgh s ARG 35 Ca 0.77 -0.54 0.00 0.00 -0.52 0.00 0.00 55.73 55.43 1qgh s ARG 35 Cb -0.41 0.35 0.00 0.00 0.52 0.00 0.00 34.95 35.40 1qgh s ARG 35 CO 0.46 -0.26 0.00 0.41 0.02 0.00 0.00 175.30 175.93 1qgh n GLY 36 N 0.54 2.64 0.34 -3.53 0.00 -1.26 -4.45 105.19 99.46 1qgh n GLY 36 Ca -0.18 -2.07 0.20 0.00 0.00 0.00 0.00 46.02 43.97 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 -0.54 1.61 3.86 -2.07 0.06 115.15 118.07 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 -3.02 3.66 -0.07 2.45 4.13 -1.26 -4.55 115.26 116.59 1qgh n ASN 38 Ca -0.02 -2.24 -0.07 0.00 1.68 0.00 0.00 54.58 53.92 1qgh n ASN 38 Cb 0.20 -0.48 -0.01 0.00 -1.54 0.00 0.00 39.78 37.96 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 3.32 -0.13 0.08 3.10 3.04 -1.30 -1.16 116.94 123.89 1qgh h PHE 39 Ca 0.00 0.02 0.02 0.00 3.98 0.00 0.00 57.97 61.99 1qgh h PHE 39 Cb 1.08 0.10 -0.03 0.00 2.56 0.00 0.00 35.95 39.65 1qgh h PHE 39 CO 0.55 -0.11 -0.22 0.74 -2.02 0.00 0.00 178.31 177.25 1qgh h PHE 40 N 0.01 -0.57 0.04 0.41 0.04 -1.83 0.15 116.94 115.18 1qgh h PHE 40 Ca 0.13 0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.91 1qgh h PHE 40 Cb 0.19 0.24 0.00 0.00 2.20 0.00 0.00 35.95 38.59 1qgh h PHE 40 CO -0.26 -0.31 -0.02 0.00 -0.60 0.00 0.00 178.31 177.12 1qgh h THR 41 N -0.39 1.00 -0.11 -1.55 1.03 -1.88 -2.64 112.91 108.38 1qgh h THR 41 Ca 0.04 -0.12 -0.14 0.00 -0.01 0.00 0.00 66.41 66.17 1qgh h THR 41 Cb 0.43 1.08 -0.01 0.00 -1.07 0.00 0.00 68.15 68.58 1qgh h THR 41 CO -0.14 0.03 -0.56 -0.07 -0.01 0.00 0.00 175.52 174.77 1qgh h LEU 42 N -0.10 0.36 -0.65 0.00 4.07 -1.15 -0.01 115.31 117.83 1qgh h LEU 42 Ca -0.01 -0.19 0.03 0.00 0.08 0.00 0.00 57.88 57.79 1qgh h LEU 42 Cb 0.09 -0.10 -0.04 0.00 1.08 0.00 0.00 40.66 41.68 1qgh h LEU 42 CO 0.01 0.85 0.40 -0.74 -1.08 0.00 0.00 178.44 177.87 1qgh h HIS 43 N 0.25 0.74 -0.19 1.13 2.76 -0.65 0.04 115.15 119.22 1qgh h HIS 43 Ca 0.00 0.02 -0.21 0.00 -2.20 0.00 0.00 60.37 57.99 1qgh h HIS 43 Cb 1.06 -0.24 0.01 0.00 1.55 0.00 0.00 27.41 29.78 1qgh h HIS 43 CO 0.03 0.41 -0.70 0.93 -1.30 0.00 0.00 177.93 177.30 1qgh h GLU 44 N 0.77 0.78 -0.84 5.26 5.08 -1.14 -3.06 114.58 121.43 1qgh h GLU 44 Ca 0.27 -0.59 0.07 0.00 -1.00 0.00 0.00 59.36 58.11 1qgh h GLU 44 Cb 0.05 0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.35 1qgh h GLU 44 CO -0.12 1.20 0.55 -0.22 -1.00 0.00 0.00 179.01 179.42 1qgh h LYS 45 N 0.56 0.89 -0.16 2.33 1.63 -0.41 -1.18 116.57 120.23 1qgh h LYS 45 Ca -0.03 -0.05 -0.09 0.00 -0.85 0.00 0.00 60.65 59.62 1qgh h LYS 45 Cb 1.31 -0.20 -0.01 0.00 -0.60 0.00 0.00 32.23 32.73 1qgh h LYS 45 CO 0.14 0.59 -0.32 0.52 -3.45 0.00 0.00 179.45 176.93 1qgh h MET 46 N 0.92 0.31 -0.87 1.90 2.86 -0.92 -1.09 114.93 118.04 1qgh h MET 46 Ca 0.37 -0.12 -0.02 0.00 -2.06 0.00 0.00 59.70 57.86 1qgh h MET 46 Cb 0.24 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.85 1qgh h MET 46 CO -0.13 0.60 0.47 -0.44 1.06 0.00 0.00 176.91 178.47 1qgh h ASP 47 N 0.27 1.09 -0.37 1.22 3.32 -1.14 0.15 116.42 120.96 1qgh h ASP 47 Ca 0.04 -0.10 -0.06 0.00 0.02 0.00 0.00 57.03 56.93 1qgh h ASP 47 Cb 0.70 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 1qgh h ASP 47 CO 0.05 0.88 0.02 0.44 -1.72 0.00 0.00 179.24 178.90 1qgh h ASP 48 N 1.22 0.63 -0.45 6.45 3.32 -0.88 -2.13 116.42 124.58 1qgh h ASP 48 Ca 0.31 -0.30 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 1qgh h ASP 48 Cb 0.03 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 1qgh h ASP 48 CO -0.05 0.77 0.25 -0.07 -1.72 0.00 0.00 179.24 178.42 1qgh h LEU 49 N 0.47 0.56 -0.65 1.55 4.07 -0.81 -1.15 115.31 119.36 1qgh h LEU 49 Ca 0.11 -0.09 0.08 0.00 0.08 0.00 0.00 57.88 58.06 1qgh h LEU 49 Cb 0.44 -0.14 -0.06 0.00 1.08 0.00 0.00 40.66 41.97 1qgh h LEU 49 CO 0.02 0.49 0.31 0.22 -1.08 0.00 0.00 178.44 178.40 1qgh h TYR 50 N 0.59 0.56 -0.32 1.13 5.03 -0.51 0.15 116.97 123.61 1qgh h TYR 50 Ca 0.16 0.03 -0.14 0.00 2.58 0.00 0.00 58.73 61.35 1qgh h TYR 50 Cb 0.05 -0.16 -0.00 0.00 1.55 0.00 0.00 36.73 38.17 1qgh h TYR 50 CO -0.02 0.22 -0.37 0.77 -1.32 0.00 0.00 178.16 177.44 1qgh h SER 51 N 0.56 0.87 0.12 -2.11 0.02 -1.13 -1.74 113.55 110.14 1qgh h SER 51 Ca 0.31 -0.49 -0.01 0.00 -0.84 0.00 0.00 61.79 60.77 1qgh h SER 51 Cb 0.30 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.59 1qgh h SER 51 CO -0.24 1.18 -0.06 -0.08 -1.14 0.00 0.00 176.83 176.49 1qgh h GLU 52 N 0.58 -0.16 0.00 3.45 4.81 -0.37 -0.90 114.58 121.99 1qgh h GLU 52 Ca 0.04 0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.21 1qgh h GLU 52 Cb 0.96 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.36 1qgh h GLU 52 CO 0.09 0.06 -0.34 0.74 -0.73 0.00 0.00 179.01 178.83 1qgh h PHE 53 N -0.37 0.00 -0.13 0.92 -1.00 -0.80 -1.11 116.94 114.46 1qgh h PHE 53 Ca -0.02 0.00 -0.09 0.00 2.81 0.00 0.00 57.97 60.67 1qgh h PHE 53 Cb 0.30 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.84 1qgh h PHE 53 CO -0.01 0.34 -0.33 0.78 -1.61 0.00 0.00 178.31 177.49 1qgh h GLY 54 N 1.06 0.28 1.61 -1.45 0.00 -1.08 0.05 103.07 103.54 1qgh h GLY 54 Ca -0.00 -0.23 -0.20 0.00 0.00 0.00 0.00 47.33 46.90 1qgh h GLY 54 CO 0.04 0.21 -0.82 0.83 0.00 0.00 0.00 176.54 176.80 1qgh h GLU 55 N 0.22 0.36 -0.68 4.80 5.08 -0.00 -2.23 114.58 122.13 1qgh h GLU 55 Ca 0.03 -0.34 -0.02 0.00 -1.00 0.00 0.00 59.36 58.03 1qgh h GLU 55 Cb 0.69 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.99 1qgh h GLU 55 CO 0.05 1.01 0.37 1.96 -1.00 0.00 0.00 179.01 181.39 1qgh h GLN 56 N 0.23 0.95 0.08 2.33 4.20 -0.61 -1.03 115.11 121.26 1qgh h GLN 56 Ca -0.05 -0.12 0.01 0.00 0.06 0.00 0.00 58.65 58.56 1qgh h GLN 56 Cb 1.43 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 29.00 1qgh h GLN 56 CO 0.14 0.72 -0.14 1.98 -0.67 0.00 0.00 178.83 180.86 1qgh h MET 57 N 0.93 -0.27 -0.40 1.46 4.05 -0.92 0.13 114.93 119.91 1qgh h MET 57 Ca 0.24 0.02 -0.04 0.00 -0.28 0.00 0.00 59.70 59.64 1qgh h MET 57 Cb 0.05 0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 30.89 1qgh h MET 57 CO -0.04 -0.18 0.08 0.22 0.23 0.00 0.00 176.91 177.22 1qgh h ASP 58 N -0.28 0.56 -0.33 1.39 3.58 -0.95 -0.99 116.42 119.40 1qgh h ASP 58 Ca 0.02 -0.09 -0.03 0.00 0.42 0.00 0.00 57.03 57.35 1qgh h ASP 58 Cb 0.30 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.19 1qgh h ASP 58 CO -0.08 0.57 0.07 -0.33 -2.88 0.00 0.00 179.24 176.59 1qgh h GLU 59 N 0.59 0.53 -0.02 0.28 5.08 -0.65 0.10 114.58 120.49 1qgh h GLU 59 Ca 0.13 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1qgh h GLU 59 Cb 0.25 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 1qgh h GLU 59 CO -0.00 0.59 0.01 0.28 -1.00 0.00 0.00 179.01 178.89 1qgh h VAL 60 N 0.37 1.10 -0.86 3.13 2.07 -0.36 0.30 116.25 121.99 1qgh h VAL 60 Ca 0.10 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.32 1qgh h VAL 60 Cb 0.31 1.27 -0.04 0.00 -1.52 0.00 0.00 31.29 31.31 1qgh h VAL 60 CO 0.00 0.08 0.52 0.00 0.02 0.00 0.00 177.57 178.20 1qgh h ALA 61 N 0.89 1.30 -0.02 1.67 0.00 -1.08 -0.04 119.26 121.98 1qgh h ALA 61 Ca 0.01 -0.09 -0.16 0.00 0.00 0.00 0.00 54.91 54.66 1qgh h ALA 61 Cb 0.12 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1qgh h ALA 61 CO -0.00 0.61 -0.73 0.93 0.00 0.00 0.00 179.25 180.06 1qgh h GLU 62 N 1.19 0.11 -0.59 0.00 5.08 -0.35 -1.23 114.58 118.78 1qgh h GLU 62 Ca 0.31 -0.09 -0.08 0.00 -1.00 0.00 0.00 59.36 58.49 1qgh h GLU 62 Cb -0.06 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 1qgh h GLU 62 CO -0.06 0.79 0.04 -0.09 -1.00 0.00 0.00 179.01 178.69 1qgh h ARG 63 N 0.07 1.02 -0.18 2.33 9.65 0.34 -0.88 114.38 126.72 1qgh h ARG 63 Ca -0.02 -0.30 0.00 0.00 -1.10 0.00 0.00 59.98 58.56 1qgh h ARG 63 Cb 1.29 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 29.75 1qgh h ARG 63 CO 0.10 0.99 0.12 1.25 2.80 0.00 0.00 179.97 185.23 1qgh h LEU 64 N 0.91 0.20 -0.94 3.80 5.85 -0.77 -1.40 115.31 122.97 1qgh h LEU 64 Ca 0.17 -0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.94 1qgh h LEU 64 Cb 0.50 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.42 1qgh h LEU 64 CO 0.02 0.15 0.61 0.25 -0.34 0.00 0.00 178.44 179.13 1qgh h LEU 65 N 0.24 0.99 -1.59 2.25 5.85 -1.08 0.60 115.31 122.57 1qgh h LEU 65 Ca 0.07 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.75 1qgh h LEU 65 Cb -0.03 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.79 1qgh h LEU 65 CO -0.02 0.65 -0.20 0.00 -0.34 0.00 0.00 178.44 178.54 1qgh h ALA 66 N 1.41 1.24 -0.49 1.25 0.00 -0.31 -1.18 119.26 121.17 1qgh h ALA 66 Ca 0.39 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1qgh h ALA 66 Cb 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1qgh h ALA 66 CO -0.15 0.24 0.00 0.44 0.00 0.00 0.00 179.25 179.79 1qgh n ILE 67 N -3.67 1.49 -0.70 0.00 -5.35 -0.61 -4.88 119.36 105.64 1qgh n ILE 67 Ca -0.01 -0.92 0.00 0.00 -0.27 0.00 0.00 62.75 61.55 1qgh n ILE 67 Cb 0.32 -0.02 0.00 0.00 -1.74 0.00 0.00 39.64 38.20 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 0.88 0.61 2.57 3.28 0.00 -0.45 -5.07 105.19 107.02 1qgh n GLY 68 Ca 0.20 -0.39 -0.16 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.70 0.37 2.62 -0.02 0.00 0.20 -4.96 105.19 100.70 1qgh n GLY 69 Ca 0.00 -1.96 -0.26 0.00 0.00 0.00 0.00 46.02 43.80 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 -3.78 2.45 0.54 1.61 0.01 -1.26 -4.20 113.70 109.07 1qgh s SER 70 Ca 0.45 -0.66 -0.20 0.00 1.31 0.00 0.00 55.95 56.85 1qgh s SER 70 Cb -0.02 -0.28 -0.06 0.00 0.21 0.00 0.00 66.02 65.87 1qgh s SER 70 CO 0.30 -0.35 1.17 -2.16 0.41 0.00 0.00 173.24 172.61 1qgh s PRO 71 N 2.11 3.34 0.70 12.44 0.04 -1.26 -4.99 135.00 147.37 1qgh s PRO 71 Ca 0.02 1.75 -0.15 0.00 0.04 0.00 0.00 61.00 62.66 1qgh s PRO 71 Cb -0.16 -2.10 0.02 0.00 0.04 0.00 0.00 34.50 32.30 1qgh s PRO 71 CO -0.10 -0.89 1.16 -0.06 0.04 0.00 0.00 177.00 177.15 1qgh s PHE 72 N -1.64 2.31 -0.31 0.56 0.08 -1.26 -4.95 117.98 112.77 1qgh s PHE 72 Ca 0.72 1.58 0.15 0.00 0.12 0.00 0.00 56.93 59.50 1qgh s PHE 72 Cb -0.28 -3.32 0.43 0.00 -0.57 0.00 0.00 43.02 39.28 1qgh s PHE 72 CO 0.32 -2.17 1.43 -1.13 -0.10 0.00 0.00 175.22 173.57 1qgh n SER 73 N -2.59 -0.71 -3.77 1.36 3.41 -1.26 -4.96 113.62 105.11 1qgh n SER 73 Ca 0.12 -2.17 -0.13 0.00 -0.26 0.00 0.00 58.87 56.43 1qgh n SER 73 Cb 0.51 0.39 -0.09 0.00 -0.26 0.00 0.00 64.21 64.76 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 -0.84 0.05 0.41 6.66 -4.23 -1.26 -5.03 115.64 111.39 1qgh s THR 74 Ca 0.13 -0.40 0.11 0.00 -1.18 0.00 0.00 61.69 60.35 1qgh s THR 74 Cb 0.41 -0.58 0.32 0.00 1.34 0.00 0.00 72.50 73.99 1qgh s THR 74 CO -0.11 -0.22 1.97 -0.07 -0.54 0.00 0.00 174.62 175.65 1qgh h LEU 75 N 4.20 0.47 -0.00 4.79 4.07 -1.99 0.39 115.31 127.24 1qgh h LEU 75 Ca -0.29 0.01 -0.00 0.00 0.08 0.00 0.00 57.88 57.68 1qgh h LEU 75 Cb 1.18 -0.09 -0.00 0.00 1.08 0.00 0.00 40.66 42.83 1qgh h LEU 75 CO 0.38 0.29 0.00 0.50 -1.08 0.00 0.00 178.44 178.53 1qgh h LYS 76 N 0.53 0.00 -0.63 1.13 3.64 -1.99 0.11 116.57 119.37 1qgh h LYS 76 Ca 0.30 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.67 1qgh h LYS 76 Cb 0.46 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.25 1qgh h LYS 76 CO -0.09 0.10 0.35 0.93 -2.27 0.00 0.00 179.45 178.47 1qgh h GLU 77 N -0.10 0.87 -0.05 1.90 5.08 -1.60 0.30 114.58 120.99 1qgh h GLU 77 Ca 0.00 -0.10 0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1qgh h GLU 77 Cb 0.10 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 1qgh h GLU 77 CO -0.00 0.66 -0.05 0.74 -1.00 0.00 0.00 179.01 179.35 1qgh h PHE 78 N 0.86 -0.13 -0.92 4.33 0.04 -0.56 -1.29 116.94 119.26 1qgh h PHE 78 Ca 0.22 0.01 0.03 0.00 2.80 0.00 0.00 57.97 61.03 1qgh h PHE 78 Cb 0.03 0.07 -0.05 0.00 2.20 0.00 0.00 35.95 38.19 1qgh h PHE 78 CO -0.01 -0.09 0.61 -0.07 -0.60 0.00 0.00 178.31 178.15 1qgh h LEU 79 N -0.07 1.01 -1.26 1.54 3.38 -0.34 0.29 115.31 119.85 1qgh h LEU 79 Ca 0.04 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 1qgh h LEU 79 Cb 0.13 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1qgh h LEU 79 CO -0.10 0.70 -0.33 -0.33 0.09 0.00 0.00 178.44 178.47 1qgh h GLU 80 N 1.18 0.00 0.00 1.13 5.08 -0.55 -3.31 114.58 118.11 1qgh h GLU 80 Ca 0.36 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 1qgh h GLU 80 Cb -0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1qgh h GLU 80 CO -0.11 0.33 -0.81 0.09 -1.00 0.00 0.00 179.01 177.51 1qgh n ASN 81 N -3.79 0.93 -4.77 1.42 4.13 -0.52 -5.03 115.26 107.62 1qgh n ASN 81 Ca -0.01 -0.61 -0.41 0.00 1.68 0.00 0.00 54.58 55.23 1qgh n ASN 81 Cb 0.42 1.13 -0.01 0.00 -1.54 0.00 0.00 39.78 39.77 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 -2.33 3.52 -0.16 5.41 0.00 0.00 -4.85 121.76 123.35 1qgh s ALA 82 Ca 0.03 1.36 0.20 0.00 0.00 0.00 0.00 51.96 53.55 1qgh s ALA 82 Cb 0.09 -3.52 -0.12 0.00 0.00 0.00 0.00 23.12 19.57 1qgh s ALA 82 CO 0.51 -0.77 0.81 -1.13 0.00 0.00 0.00 175.76 175.18 1qgh n SER 83 N 0.68 0.64 -4.73 0.00 3.41 -1.26 -4.88 113.62 107.49 1qgh n SER 83 Ca 0.00 0.26 -0.42 0.00 -0.26 0.00 0.00 58.87 58.46 1qgh n SER 83 Cb 0.41 0.69 -0.03 0.00 -0.26 0.00 0.00 64.21 65.02 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 -3.21 3.26 0.09 -3.33 1.01 -1.26 -5.01 120.40 111.95 1qgh s VAL 84 Ca -0.03 0.96 -0.07 0.00 0.00 0.00 0.00 61.98 62.84 1qgh s VAL 84 Cb 0.10 -3.62 -0.05 0.00 0.00 0.00 0.00 36.38 32.81 1qgh s VAL 84 CO 0.82 0.11 0.37 -1.61 0.00 0.00 0.00 175.10 174.78 1qgh s GLU 85 N 0.54 3.67 0.10 2.72 0.41 -1.26 -5.00 118.70 119.87 1qgh s GLU 85 Ca 0.61 0.02 0.04 0.00 -0.41 0.00 0.00 54.97 55.23 1qgh s GLU 85 Cb -0.37 -2.95 -0.04 0.00 -1.78 0.00 0.00 34.13 29.00 1qgh s GLU 85 CO 0.34 0.54 -0.12 -1.83 -0.49 0.00 0.00 175.26 173.70 1qgh s GLU 86 N -2.20 0.89 -0.13 1.61 -1.05 -1.26 -5.04 118.70 111.52 1qgh s GLU 86 Ca 0.35 -1.15 -0.09 0.00 -0.15 0.00 0.00 54.97 53.94 1qgh s GLU 86 Cb -0.13 -0.68 0.05 0.00 -0.44 0.00 0.00 34.13 32.93 1qgh s GLU 86 CO 0.20 0.12 0.33 0.00 0.95 0.00 0.00 175.26 176.86 1qgh s ALA 87 N -2.18 -0.81 0.48 -0.84 0.00 -1.26 -5.14 121.76 112.01 1qgh s ALA 87 Ca 0.05 1.17 -0.22 0.00 0.00 0.00 0.00 51.96 52.96 1qgh s ALA 87 Cb -0.05 -0.71 -0.09 0.00 0.00 0.00 0.00 23.12 22.27 1qgh s ALA 87 CO 0.01 -0.21 0.92 -0.35 0.00 0.00 0.00 175.76 176.13 1qgh n PRO 88 N 3.84 1.10 -3.08 0.00 -0.04 -1.26 -4.89 135.00 130.67 1qgh n PRO 88 Ca -0.21 0.40 -0.43 0.00 -0.04 0.00 0.00 63.50 63.22 1qgh n PRO 88 Cb 0.55 -2.00 -0.06 0.00 -0.04 0.00 0.00 33.50 31.95 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 -1.39 3.04 0.00 0.54 5.04 -1.26 -4.82 117.35 118.50 1qgh s TYR 89 Ca 0.67 -0.07 -0.03 0.00 -2.44 0.00 0.00 57.07 55.19 1qgh s TYR 89 Cb -0.51 -3.45 -0.01 0.00 0.35 0.00 0.00 41.96 38.34 1qgh s TYR 89 CO 0.54 -0.93 -0.06 0.25 -1.34 0.00 0.00 175.55 174.02 1qgh n THR 90 N 5.89 0.65 -2.75 4.34 -2.24 -1.26 -4.99 114.28 113.91 1qgh n THR 90 Ca -0.01 0.24 -0.42 0.00 -2.27 0.00 0.00 64.05 61.59 1qgh n THR 90 Cb 0.48 -1.50 -0.03 0.00 -2.10 0.00 0.00 70.33 67.18 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 -1.64 4.44 0.12 -0.78 2.20 -1.26 -4.99 119.74 117.83 1qgh s LYS 91 Ca -0.05 1.31 -0.31 0.00 -0.36 0.00 0.00 55.97 56.56 1qgh s LYS 91 Cb 0.01 -3.52 -0.09 0.00 -1.51 0.00 0.00 37.83 32.73 1qgh s LYS 91 CO 0.07 -0.21 1.47 -1.25 -0.36 0.00 0.00 175.35 175.07 1qgh s PRO 92 N 1.65 4.27 0.18 4.03 0.04 -1.26 -4.99 135.00 138.93 1qgh s PRO 92 Ca 0.47 2.18 0.05 0.00 0.04 0.00 0.00 61.00 63.74 1qgh s PRO 92 Cb -0.19 -3.26 -0.04 0.00 0.04 0.00 0.00 34.50 31.06 1qgh s PRO 92 CO 0.20 -0.52 0.18 0.15 0.04 0.00 0.00 177.00 177.05 1qgh s LYS 93 N 1.30 3.02 0.87 4.56 1.02 -1.26 -5.12 119.74 124.12 1qgh s LYS 93 Ca 0.67 -0.86 -0.12 0.00 0.02 0.00 0.00 55.97 55.68 1qgh s LYS 93 Cb -0.39 -2.69 0.11 0.00 -0.52 0.00 0.00 37.83 34.34 1qgh s LYS 93 CO 0.30 0.47 1.11 0.99 -0.92 0.00 0.00 175.35 177.30 1qgh s THR 94 N -1.84 2.62 0.09 2.17 2.01 -1.26 -4.82 115.64 114.61 1qgh s THR 94 Ca 0.32 0.20 -0.16 0.00 0.31 0.00 0.00 61.69 62.36 1qgh s THR 94 Cb -0.10 -2.87 -0.09 0.00 0.01 0.00 0.00 72.50 69.46 1qgh s THR 94 CO 0.25 -0.26 1.43 -0.03 -0.69 0.00 0.00 174.62 175.32 1qgh h MET 95 N -1.36 0.62 -0.77 4.92 4.05 -2.00 -1.83 114.93 118.57 1qgh h MET 95 Ca -0.49 -0.30 -0.01 0.00 -0.28 0.00 0.00 59.70 58.62 1qgh h MET 95 Cb 1.29 -0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 32.05 1qgh h MET 95 CO 0.59 0.89 0.43 -0.44 0.23 0.00 0.00 176.91 178.60 1qgh h ASP 96 N 0.36 0.95 -1.00 1.39 5.19 -1.95 0.19 116.42 121.54 1qgh h ASP 96 Ca 0.05 -0.09 0.02 0.00 -0.62 0.00 0.00 57.03 56.39 1qgh h ASP 96 Cb 0.73 -0.24 -0.05 0.00 0.18 0.00 0.00 39.33 39.95 1qgh h ASP 96 CO 0.05 0.77 0.66 1.56 -3.12 0.00 0.00 179.24 179.16 1qgh h GLN 97 N 1.06 1.30 -0.23 3.56 4.20 -1.85 0.23 115.11 123.39 1qgh h GLN 97 Ca 0.27 -0.08 -0.06 0.00 0.06 0.00 0.00 58.65 58.85 1qgh h GLN 97 Cb 0.02 -0.29 -0.01 0.00 0.30 0.00 0.00 27.48 27.50 1qgh h GLN 97 CO -0.04 0.86 -0.08 -0.07 -0.67 0.00 0.00 178.83 178.83 1qgh h LEU 98 N 1.34 0.47 -1.12 1.46 3.38 -0.44 -1.44 115.31 118.96 1qgh h LEU 98 Ca 0.37 -0.39 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 1qgh h LEU 98 Cb -0.13 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 1qgh h LEU 98 CO -0.09 0.75 0.07 0.24 0.09 0.00 0.00 178.44 179.50 1qgh h MET 99 N 0.19 0.68 -0.34 1.13 2.86 -0.23 -0.82 114.93 118.39 1qgh h MET 99 Ca 0.06 -0.14 -0.05 0.00 -2.06 0.00 0.00 59.70 57.50 1qgh h MET 99 Cb 0.56 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.10 1qgh h MET 99 CO 0.03 0.65 -0.01 0.93 1.06 0.00 0.00 176.91 179.57 1qgh h GLU 100 N 0.66 0.53 -0.42 1.72 5.08 -0.19 0.28 114.58 122.23 1qgh h GLU 100 Ca 0.14 -0.12 -0.13 0.00 -1.00 0.00 0.00 59.36 58.26 1qgh h GLU 100 Cb 0.31 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1qgh h GLU 100 CO 0.00 0.57 -0.23 0.22 -1.00 0.00 0.00 179.01 178.57 1qgh h ASP 101 N 0.51 0.93 0.51 1.42 3.58 -0.31 -0.30 116.42 122.76 1qgh h ASP 101 Ca 0.11 -0.41 -0.02 0.00 0.42 0.00 0.00 57.03 57.12 1qgh h ASP 101 Cb 0.34 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.14 1qgh h ASP 101 CO 0.01 1.14 -0.25 0.25 -2.88 0.00 0.00 179.24 177.51 1qgh h LEU 102 N 0.73 -0.60 -1.11 2.28 6.46 -0.15 -1.93 115.31 120.99 1qgh h LEU 102 Ca 0.09 0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 57.87 1qgh h LEU 102 Cb 0.80 0.16 -0.04 0.00 -0.73 0.00 0.00 40.66 40.85 1qgh h LEU 102 CO 0.07 -0.42 0.52 0.58 -0.62 0.00 0.00 178.44 178.57 1qgh h VAL 103 N -0.69 1.23 -0.76 1.05 2.07 -0.44 0.91 116.25 119.62 1qgh h VAL 103 Ca -0.07 -0.47 0.03 0.00 0.82 0.00 0.00 66.70 67.01 1qgh h VAL 103 Cb 0.54 0.02 -0.05 0.00 -1.52 0.00 0.00 31.29 30.28 1qgh h VAL 103 CO 0.11 0.23 0.48 1.23 0.02 0.00 0.00 177.57 179.64 1qgh h GLY 104 N 1.17 1.10 1.36 2.17 0.00 -0.69 0.15 103.07 108.32 1qgh h GLY 104 Ca 0.30 -0.37 -0.12 0.00 0.00 0.00 0.00 47.33 47.15 1qgh h GLY 104 CO -0.06 0.32 -0.27 -0.84 0.00 0.00 0.00 176.54 175.69 1qgh h THR 105 N 0.95 1.28 0.12 4.70 2.02 -0.48 -0.22 112.91 121.27 1qgh h THR 105 Ca 0.30 -1.39 0.00 0.00 0.77 0.00 0.00 66.41 66.10 1qgh h THR 105 Cb -0.00 1.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 1qgh h THR 105 CO -0.11 0.46 -0.11 -0.07 0.37 0.00 0.00 175.52 176.06 1qgh h LEU 106 N 0.63 -0.29 -0.79 2.58 3.38 -0.18 -1.14 115.31 119.49 1qgh h LEU 106 Ca 0.08 0.03 0.13 0.00 0.09 0.00 0.00 57.88 58.21 1qgh h LEU 106 Cb 0.78 0.10 -0.09 0.00 0.09 0.00 0.00 40.66 41.54 1qgh h LEU 106 CO 0.06 -0.17 0.38 -0.33 0.09 0.00 0.00 178.44 178.47 1qgh h GLU 107 N -0.25 0.56 -0.47 1.13 5.08 -0.22 0.16 114.58 120.58 1qgh h GLU 107 Ca 0.00 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1qgh h GLU 107 Cb 0.24 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 1qgh h GLU 107 CO -0.03 0.37 0.28 1.25 -1.00 0.00 0.00 179.01 179.88 1qgh h LEU 108 N 0.58 0.57 -0.79 1.33 6.46 -0.58 -0.94 115.31 121.94 1qgh h LEU 108 Ca 0.42 -0.06 -0.04 0.00 -0.12 0.00 0.00 57.88 58.08 1qgh h LEU 108 Cb 0.56 -0.14 -0.04 0.00 -0.73 0.00 0.00 40.66 40.31 1qgh h LEU 108 CO -0.34 0.46 0.34 -0.07 -0.62 0.00 0.00 178.44 178.21 1qgh h LEU 109 N 0.62 1.07 0.18 2.25 3.38 -0.26 0.05 115.31 122.61 1qgh h LEU 109 Ca 0.17 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 57.99 1qgh h LEU 109 Cb 0.00 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 1qgh h LEU 109 CO -0.03 0.93 -0.25 -0.09 0.09 0.00 0.00 178.44 179.09 1qgh h ARG 110 N 1.14 -0.47 -0.64 1.13 2.43 -0.27 0.20 114.38 117.90 1qgh h ARG 110 Ca 0.27 0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.44 1qgh h ARG 110 Cb 0.18 0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.81 1qgh h ARG 110 CO -0.03 -0.32 0.27 -0.44 -1.51 0.00 0.00 179.97 177.95 1qgh h ASP 111 N -0.49 0.87 -0.18 -3.80 3.32 -1.00 -0.98 116.42 114.15 1qgh h ASP 111 Ca 0.01 -0.16 -0.09 0.00 0.02 0.00 0.00 57.03 56.82 1qgh h ASP 111 Cb 0.49 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 1qgh h ASP 111 CO -0.10 0.79 -0.16 -0.33 -1.72 0.00 0.00 179.24 177.72 1qgh h GLU 112 N 0.89 0.59 -0.59 3.56 5.08 -0.51 -2.27 114.58 121.33 1qgh h GLU 112 Ca 0.22 -0.20 -0.04 0.00 -1.00 0.00 0.00 59.36 58.34 1qgh h GLU 112 Cb 0.18 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 1qgh h GLU 112 CO -0.02 0.73 0.20 1.88 -1.00 0.00 0.00 179.01 180.80 1qgh h TYR 113 N 0.54 0.90 -0.77 4.33 -1.99 -0.04 -1.19 116.97 118.74 1qgh h TYR 113 Ca 0.09 -0.07 0.08 0.00 2.00 0.00 0.00 58.73 60.84 1qgh h TYR 113 Cb 0.58 -0.27 -0.07 0.00 2.00 0.00 0.00 36.73 38.98 1qgh h TYR 113 CO 0.02 0.72 0.44 -0.22 -0.00 0.00 0.00 178.16 179.12 1qgh h LYS 114 N 0.86 0.74 -0.46 4.88 1.63 -0.62 0.47 116.57 124.08 1qgh h LYS 114 Ca 0.20 -0.04 -0.04 0.00 -0.85 0.00 0.00 60.65 59.92 1qgh h LYS 114 Cb 0.23 -0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 31.67 1qgh h LYS 114 CO -0.01 0.49 0.15 1.96 -3.45 0.00 0.00 179.45 178.59 1qgh h GLN 115 N 0.76 0.71 -0.41 1.90 1.08 -0.99 -0.97 115.11 117.19 1qgh h GLN 115 Ca 0.36 -0.15 -0.05 0.00 -1.45 0.00 0.00 58.65 57.36 1qgh h GLN 115 Cb 0.29 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.60 1qgh h GLN 115 CO -0.22 0.68 0.03 0.78 -0.95 0.00 0.00 178.83 179.14 1qgh h GLY 116 N 0.60 0.69 1.05 3.46 0.00 -0.14 0.10 103.07 108.83 1qgh h GLY 116 Ca 0.15 -0.41 -0.09 0.00 0.00 0.00 0.00 47.33 46.98 1qgh h GLY 116 CO -0.01 0.39 0.03 -2.22 0.00 0.00 0.00 176.54 174.73 1qgh h ILE 117 N 0.61 1.26 0.82 2.60 2.04 0.67 0.19 117.51 125.71 1qgh h ILE 117 Ca 0.13 -1.10 -0.04 0.00 1.00 0.00 0.00 64.86 64.85 1qgh h ILE 117 Cb 0.35 0.82 0.01 0.00 -0.74 0.00 0.00 36.82 37.26 1qgh h ILE 117 CO 0.01 0.40 -0.39 -0.33 0.00 0.00 0.00 178.15 177.83 1qgh h GLU 118 N 0.90 -1.06 -0.92 2.37 5.08 -0.80 -1.46 114.58 118.69 1qgh h GLU 118 Ca 0.17 0.07 0.20 0.00 -1.00 0.00 0.00 59.36 58.80 1qgh h GLU 118 Cb 0.52 0.24 -0.11 0.00 0.50 0.00 0.00 28.75 29.89 1qgh h GLU 118 CO 0.02 -0.70 0.49 1.25 -1.00 0.00 0.00 179.01 179.07 1qgh h LEU 119 N -1.23 0.55 -0.70 1.33 5.85 -0.69 0.64 115.31 121.05 1qgh h LEU 119 Ca -0.11 0.12 -0.11 0.00 0.84 0.00 0.00 57.88 58.62 1qgh h LEU 119 Cb 0.84 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 1qgh h LEU 119 CO 0.18 0.14 -0.19 0.00 -0.34 0.00 0.00 178.44 178.24 1qgh h THR 120 N 0.58 1.27 0.53 1.05 1.03 -0.55 0.72 112.91 117.54 1qgh h THR 120 Ca 0.55 -1.29 -0.02 0.00 -0.01 0.00 0.00 66.41 65.63 1qgh h THR 120 Cb 0.93 1.15 0.00 0.00 -1.07 0.00 0.00 68.15 69.16 1qgh h THR 120 CO -0.44 0.44 -0.28 -0.78 -0.01 0.00 0.00 175.52 174.45 1qgh h ASP 121 N 0.71 -0.67 -0.60 0.00 1.82 0.03 0.02 116.42 117.73 1qgh h ASP 121 Ca 0.10 0.03 0.04 0.00 -0.39 0.00 0.00 57.03 56.81 1qgh h ASP 121 Cb 0.70 0.18 -0.04 0.00 0.68 0.00 0.00 39.33 40.85 1qgh h ASP 121 CO 0.05 -0.46 0.35 0.11 -1.61 0.00 0.00 179.24 177.69 1qgh h LYS 122 N -0.75 0.66 0.00 0.28 1.57 -0.75 -1.32 116.57 116.26 1qgh h LYS 122 Ca -0.07 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1qgh h LYS 122 Cb 0.58 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1qgh h LYS 122 CO 0.10 0.44 0.00 0.93 -0.57 0.00 0.00 179.45 180.35 1qgh h GLU 123 N 0.68 0.00 -0.10 3.15 5.08 -0.53 -3.47 114.58 119.39 1qgh h GLU 123 Ca 0.25 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.58 1qgh h GLU 123 Cb 0.08 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1qgh h GLU 123 CO -0.13 0.00 -0.03 0.41 -1.00 0.00 0.00 179.01 178.26 1qgh n GLY 124 N -0.21 0.50 3.39 -3.84 0.00 -0.10 -4.98 105.19 99.95 1qgh n GLY 124 Ca 0.00 -0.99 -0.45 0.00 0.00 0.00 0.00 46.02 44.58 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 -2.98 6.86 0.22 1.61 -1.08 -0.64 -4.85 116.67 115.81 1qgh s ASP 125 Ca 0.00 -2.69 -0.09 0.00 -0.52 0.00 0.00 52.55 49.25 1qgh s ASP 125 Cb 0.00 -2.29 0.20 0.00 -1.46 0.00 0.00 42.92 39.37 1qgh s ASP 125 CO 0.00 -0.69 1.89 0.44 0.52 0.00 0.00 175.17 177.33 1qgh h ASP 126 N 7.83 0.94 0.41 -0.34 3.32 -1.94 -1.79 116.42 124.85 1qgh h ASP 126 Ca 0.16 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 1qgh h ASP 126 Cb 0.99 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.30 1qgh h ASP 126 CO 0.97 0.67 -0.25 0.58 -1.72 0.00 0.00 179.24 179.49 1qgh h VAL 127 N 1.10 0.48 -0.92 -1.35 2.07 -1.97 -0.65 116.25 115.01 1qgh h VAL 127 Ca 0.31 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.85 1qgh h VAL 127 Cb -0.10 0.48 -0.05 0.00 -1.52 0.00 0.00 31.29 30.10 1qgh h VAL 127 CO -0.07 0.00 0.61 0.74 0.02 0.00 0.00 177.57 178.86 1qgh h THR 128 N -0.63 1.21 -0.16 2.57 2.02 -1.92 -1.60 112.91 114.40 1qgh h THR 128 Ca -0.04 -0.42 0.05 0.00 0.77 0.00 0.00 66.41 66.76 1qgh h THR 128 Cb 0.52 -0.11 -0.05 0.00 -1.74 0.00 0.00 68.15 66.76 1qgh h THR 128 CO 0.04 0.22 -0.15 -1.13 0.37 0.00 0.00 175.52 174.87 1qgh h ASN 129 N 1.22 -0.49 -0.38 4.18 -0.73 -0.96 -1.13 115.58 117.29 1qgh h ASN 129 Ca 0.35 0.09 -0.02 0.00 1.87 0.00 0.00 56.30 58.59 1qgh h ASN 129 Cb -0.09 0.24 -0.02 0.00 0.27 0.00 0.00 38.32 38.71 1qgh h ASN 129 CO -0.09 -0.20 0.19 0.44 -0.37 0.00 0.00 177.43 177.40 1qgh h ASP 130 N -0.18 0.54 0.13 1.15 5.19 -0.27 -1.26 116.42 121.71 1qgh h ASP 130 Ca 0.11 -0.05 -0.01 0.00 -0.62 0.00 0.00 57.03 56.46 1qgh h ASP 130 Cb 0.33 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 39.71 1qgh h ASP 130 CO -0.27 0.48 -0.06 0.24 -3.12 0.00 0.00 179.24 176.51 1qgh h MET 131 N 0.60 -0.16 -0.81 3.56 2.86 -0.33 -1.69 114.93 118.96 1qgh h MET 131 Ca 0.15 0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.83 1qgh h MET 131 Cb 0.10 0.04 -0.05 0.00 0.06 0.00 0.00 31.60 31.75 1qgh h MET 131 CO -0.02 0.02 0.52 -0.07 1.06 0.00 0.00 176.91 178.42 1qgh h LEU 132 N -0.31 0.87 -0.49 1.22 4.07 -1.17 -0.80 115.31 118.70 1qgh h LEU 132 Ca -0.02 -0.01 0.03 0.00 0.08 0.00 0.00 57.88 57.96 1qgh h LEU 132 Cb 0.25 -0.20 -0.03 0.00 1.08 0.00 0.00 40.66 41.76 1qgh h LEU 132 CO 0.03 0.60 0.28 0.40 -1.08 0.00 0.00 178.44 178.67 1qgh h ILE 133 N 1.02 1.03 -0.58 1.22 2.04 -1.00 -0.06 117.51 121.19 1qgh h ILE 133 Ca 0.32 -0.19 -0.05 0.00 1.00 0.00 0.00 64.86 65.94 1qgh h ILE 133 Cb -0.01 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 36.47 1qgh h ILE 133 CO -0.11 0.10 0.16 0.00 0.00 0.00 0.00 178.15 178.31 1qgh h ALA 134 N 1.23 1.20 -0.28 1.87 0.00 -0.71 0.53 119.26 123.09 1qgh h ALA 134 Ca 0.20 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 1qgh h ALA 134 Cb 0.05 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1qgh h ALA 134 CO -0.10 0.55 -0.27 0.74 0.00 0.00 0.00 179.25 180.17 1qgh h PHE 135 N 0.85 0.63 -0.43 0.00 0.04 -0.47 -2.81 116.94 114.74 1qgh h PHE 135 Ca 0.19 -0.14 -0.12 0.00 2.80 0.00 0.00 57.97 60.69 1qgh h PHE 135 Cb 0.27 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.26 1qgh h PHE 135 CO 0.02 0.77 -0.22 -0.22 -0.60 0.00 0.00 178.31 178.06 1qgh h LYS 136 N 0.49 0.88 -0.67 1.51 3.64 -0.14 -1.12 116.57 121.15 1qgh h LYS 136 Ca 0.07 -0.36 0.11 0.00 -1.27 0.00 0.00 60.65 59.19 1qgh h LYS 136 Cb 0.72 -0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 32.42 1qgh h LYS 136 CO 0.06 1.01 0.25 0.00 -2.27 0.00 0.00 179.45 178.50 1qgh h ALA 137 N 0.98 0.89 -0.30 5.00 0.00 -0.67 0.69 119.26 125.85 1qgh h ALA 137 Ca 0.10 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 1qgh h ALA 137 Cb 0.76 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1qgh h ALA 137 CO 0.06 -0.20 -0.06 1.03 0.00 0.00 0.00 179.25 180.08 1qgh h SER 138 N 0.42 0.58 -0.70 0.00 0.87 -1.34 -2.63 113.55 110.75 1qgh h SER 138 Ca 0.35 -0.36 0.05 0.00 -1.23 0.00 0.00 61.79 60.60 1qgh h SER 138 Cb 0.47 -0.16 -0.05 0.00 -0.44 0.00 0.00 62.40 62.22 1qgh h SER 138 CO -0.35 0.80 0.41 0.40 -0.53 0.00 0.00 176.83 177.56 1qgh h ILE 139 N 0.35 1.01 -0.80 2.23 2.04 -0.47 -0.53 117.51 121.34 1qgh h ILE 139 Ca 0.08 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.67 1qgh h ILE 139 Cb 0.54 0.18 -0.04 0.00 -0.74 0.00 0.00 36.82 36.76 1qgh h ILE 139 CO 0.03 0.14 0.45 0.44 0.00 0.00 0.00 178.15 179.21 1qgh h ASP 140 N 0.76 0.97 -0.29 1.72 3.32 -0.72 0.14 116.42 122.32 1qgh h ASP 140 Ca 0.30 -0.07 -0.08 0.00 0.02 0.00 0.00 57.03 57.20 1qgh h ASP 140 Cb 0.14 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 1qgh h ASP 140 CO -0.16 0.77 -0.13 0.50 -1.72 0.00 0.00 179.24 178.49 1qgh h LYS 141 N 1.11 0.60 -0.46 3.56 3.64 -0.97 -1.47 116.57 122.57 1qgh h LYS 141 Ca 0.28 -0.26 0.05 0.00 -1.27 0.00 0.00 60.65 59.45 1qgh h LYS 141 Cb -0.00 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.75 1qgh h LYS 141 CO -0.05 0.83 0.21 0.45 -2.27 0.00 0.00 179.45 178.62 1qgh h HIS 142 N 0.35 0.38 -0.98 1.91 3.86 -0.49 -0.38 115.15 119.79 1qgh h HIS 142 Ca 0.07 0.02 0.05 0.00 -1.16 0.00 0.00 60.37 59.34 1qgh h HIS 142 Cb 0.65 -0.10 -0.06 0.00 1.06 0.00 0.00 27.41 28.95 1qgh h HIS 142 CO 0.06 0.17 0.64 0.82 0.86 0.00 0.00 177.93 180.48 1qgh h ILE 143 N 0.42 1.13 -0.60 2.45 2.04 -0.53 0.20 117.51 122.61 1qgh h ILE 143 Ca 0.21 -0.41 -0.03 0.00 1.00 0.00 0.00 64.86 65.63 1qgh h ILE 143 Cb 0.15 -0.18 -0.03 0.00 -0.74 0.00 0.00 36.82 36.02 1qgh h ILE 143 CO -0.17 0.22 0.28 -0.25 0.00 0.00 0.00 178.15 178.23 1qgh h TRP 144 N 1.21 0.88 -0.28 1.37 7.01 -0.07 -2.41 115.95 123.65 1qgh h TRP 144 Ca 0.41 -0.05 -0.04 0.00 2.11 0.00 0.00 58.89 61.32 1qgh h TRP 144 Cb 0.07 -0.27 -0.01 0.00 -2.10 0.00 0.00 29.16 26.85 1qgh h TRP 144 CO -0.00 0.68 0.02 0.52 -2.79 0.00 0.00 178.44 176.86 1qgh h MET 145 N 0.83 0.49 -0.01 2.65 2.86 0.49 -0.84 114.93 121.41 1qgh h MET 145 Ca 0.21 -0.15 -0.09 0.00 -2.06 0.00 0.00 59.70 57.60 1qgh h MET 145 Cb 0.14 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.74 1qgh h MET 145 CO -0.02 0.63 -0.44 0.74 1.06 0.00 0.00 176.91 178.87 1qgh h PHE 146 N 0.29 0.03 -0.21 -0.22 0.04 -0.69 -1.50 116.94 114.67 1qgh h PHE 146 Ca 0.08 -0.01 -0.10 0.00 2.80 0.00 0.00 57.97 60.74 1qgh h PHE 146 Cb 0.39 -0.01 -0.00 0.00 2.20 0.00 0.00 35.95 38.54 1qgh h PHE 146 CO 0.03 0.46 -0.27 0.87 -0.60 0.00 0.00 178.31 178.81 1qgh h LYS 147 N 0.02 0.55 -0.71 1.51 1.57 -1.33 -1.21 116.57 116.98 1qgh h LYS 147 Ca -0.00 -0.31 0.02 0.00 -1.87 0.00 0.00 60.65 58.49 1qgh h LYS 147 Cb 0.79 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 33.09 1qgh h LYS 147 CO 0.06 0.91 0.47 0.00 -0.57 0.00 0.00 179.45 180.31 1qgh h ALA 148 N 0.63 1.55 -0.19 3.86 0.00 -0.73 0.04 119.26 124.42 1qgh h ALA 148 Ca 0.03 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1qgh h ALA 148 Cb 0.84 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1qgh h ALA 148 CO 0.06 0.40 0.12 0.35 0.00 0.00 0.00 179.25 180.18 1qgh h PHE 149 N 0.91 0.25 0.00 0.00 3.57 -1.08 -0.66 116.94 119.93 1qgh h PHE 149 Ca 0.27 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.77 1qgh h PHE 149 Cb -0.02 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 38.63 1qgh h PHE 149 CO -0.00 0.18 0.00 1.28 -2.23 0.00 0.00 178.31 177.54 1qgh n LEU 150 N -4.94 0.00 0.00 0.59 4.77 -0.31 -4.86 117.00 112.25 1qgh n LEU 150 Ca -0.04 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1qgh n LEU 150 Cb 0.04 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1qgh n LEU 150 CO 0.34 -0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 1qgh n GLY 151 N -0.10 0.72 3.85 -0.72 0.00 -0.25 -5.04 105.19 103.65 1qgh n GLY 151 Ca 0.10 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.20 2.73 0.49 1.61 -0.14 -0.15 -4.97 119.74 119.11 1qgh s LYS 152 Ca 0.00 -1.29 -0.10 0.00 -1.36 0.00 0.00 55.97 53.22 1qgh s LYS 152 Cb 0.00 -2.48 -0.05 0.00 -1.68 0.00 0.00 37.83 33.61 1qgh s LYS 152 CO 0.00 0.10 0.87 0.00 -0.76 0.00 0.00 175.35 175.56 1qgh s ALA 153 N -2.30 3.26 0.13 5.17 0.00 -1.26 -3.37 121.76 123.40 1qgh s ALA 153 Ca 0.41 -0.19 -0.19 0.00 0.00 0.00 0.00 51.96 51.99 1qgh s ALA 153 Cb -0.06 -2.83 -0.02 0.00 0.00 0.00 0.00 23.12 20.22 1qgh s ALA 153 CO 0.27 -0.28 1.75 -1.35 0.00 0.00 0.00 175.76 176.15 1qgh h PRO 154 N 0.61 0.20 -0.22 0.00 0.11 -1.87 -1.69 132.00 129.14 1qgh h PRO 154 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1qgh h PRO 154 Cb 1.19 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1qgh h PRO 154 CO 0.62 0.13 0.00 1.28 -0.21 0.00 0.00 178.00 179.83 1qgh n LEU 155 N -5.03 1.69 0.00 2.35 4.77 -1.26 -4.86 117.00 114.66 1qgh n LEU 155 Ca -0.02 -0.75 0.06 0.00 -0.03 0.00 0.00 56.01 55.27 1qgh n LEU 155 Cb 0.08 -0.14 0.33 0.00 -2.33 0.00 0.00 43.42 41.36 1qgh n LEU 155 CO 0.30 0.38 0.55 1.21 -1.33 0.00 0.00 177.39 178.49