#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qgh n ASP 8 N 0.00 0.37 0.08 4.52 5.75 -1.26 -4.92 116.55 121.09 1qgh n ASP 8 Ca 0.00 -1.79 -0.12 0.00 -0.01 0.00 0.00 54.79 52.87 1qgh n ASP 8 Cb 0.00 0.50 -0.05 0.00 -1.03 0.00 0.00 41.12 40.53 1qgh n ASP 8 CO 0.00 0.00 0.00 0.74 -0.11 0.00 0.00 177.20 177.83 1qgh h THR 9 N 1.32 0.60 -0.53 2.12 2.02 -1.98 0.65 112.91 117.11 1qgh h THR 9 Ca -0.10 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.16 1qgh h THR 9 Cb 0.44 0.60 -0.07 0.00 -1.74 0.00 0.00 68.15 67.38 1qgh h THR 9 CO 0.15 0.00 0.15 0.11 0.37 0.00 0.00 175.52 176.31 1qgh h LYS 10 N -0.31 0.30 -0.32 6.66 1.57 -1.96 0.60 116.57 123.10 1qgh h LYS 10 Ca 0.04 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.70 1qgh h LYS 10 Cb 0.35 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 1qgh h LYS 10 CO -0.12 0.20 -0.20 0.93 -0.57 0.00 0.00 179.45 179.69 1qgh h GLU 11 N 0.31 0.60 -0.28 3.15 3.07 -1.76 -0.67 114.58 119.01 1qgh h GLU 11 Ca 0.27 -0.22 -0.10 0.00 -0.50 0.00 0.00 59.36 58.81 1qgh h GLU 11 Cb 0.34 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.20 1qgh h GLU 11 CO -0.31 0.76 -0.22 0.35 -1.40 0.00 0.00 179.01 178.20 1qgh h PHE 12 N 0.54 0.75 -0.40 4.33 3.57 0.23 -1.39 116.94 124.57 1qgh h PHE 12 Ca 0.08 -0.21 0.00 0.00 3.53 0.00 0.00 57.97 61.38 1qgh h PHE 12 Cb 0.64 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.19 1qgh h PHE 12 CO 0.03 0.92 0.26 -0.07 -2.23 0.00 0.00 178.31 177.22 1qgh h LEU 13 N 0.37 0.45 -1.11 0.59 4.07 0.60 -1.88 115.31 118.41 1qgh h LEU 13 Ca 0.05 -0.01 -0.03 0.00 0.08 0.00 0.00 57.88 57.97 1qgh h LEU 13 Cb 0.76 -0.11 -0.03 0.00 1.08 0.00 0.00 40.66 42.36 1qgh h LEU 13 CO 0.06 0.33 0.30 -1.13 -1.08 0.00 0.00 178.44 176.91 1qgh h ASN 14 N 0.54 0.84 -0.60 -0.43 -1.24 -1.07 0.14 115.58 113.75 1qgh h ASN 14 Ca 0.15 -0.09 -0.00 0.00 0.71 0.00 0.00 56.30 57.06 1qgh h ASN 14 Cb -0.06 -0.21 -0.03 0.00 0.73 0.00 0.00 38.32 38.75 1qgh h ASN 14 CO -0.03 0.72 0.37 -0.74 -1.29 0.00 0.00 177.43 176.46 1qgh h HIS 15 N 0.92 0.79 -0.03 0.67 2.76 -0.61 -1.25 115.15 118.39 1qgh h HIS 15 Ca 0.22 0.01 -0.15 0.00 -2.20 0.00 0.00 60.37 58.25 1qgh h HIS 15 Cb 0.12 -0.26 -0.01 0.00 1.55 0.00 0.00 27.41 28.80 1qgh h HIS 15 CO 0.01 0.52 -0.65 1.96 -1.30 0.00 0.00 177.93 178.47 1qgh h GLN 16 N 0.83 0.13 -0.96 5.26 1.08 -0.02 -1.32 115.11 120.12 1qgh h GLN 16 Ca 0.22 -0.10 0.02 0.00 -1.45 0.00 0.00 58.65 57.34 1qgh h GLN 16 Cb -0.05 0.02 -0.05 0.00 -0.05 0.00 0.00 27.48 27.35 1qgh h GLN 16 CO -0.04 0.74 0.63 0.28 -0.95 0.00 0.00 178.83 179.49 1qgh h VAL 17 N 0.09 1.22 0.07 -0.54 2.07 0.00 0.23 116.25 119.40 1qgh h VAL 17 Ca -0.01 -0.44 -0.00 0.00 0.82 0.00 0.00 66.70 67.07 1qgh h VAL 17 Cb 1.16 -0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 1qgh h VAL 17 CO 0.09 0.23 -0.04 0.00 0.02 0.00 0.00 177.57 177.88 1qgh h ALA 18 N 1.41 -0.10 -0.42 1.67 0.00 -1.10 -1.95 119.26 118.78 1qgh h ALA 18 Ca 0.36 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 55.15 1qgh h ALA 18 Cb -0.10 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.67 1qgh h ALA 18 CO -0.09 -0.36 0.08 -0.91 0.00 0.00 0.00 179.25 177.97 1qgh h ASN 19 N -0.48 0.00 -0.90 0.00 2.35 -0.88 -1.98 115.58 113.69 1qgh h ASN 19 Ca -0.01 0.07 0.03 0.00 -0.55 0.00 0.00 56.30 55.84 1qgh h ASN 19 Cb 0.41 0.10 -0.05 0.00 0.05 0.00 0.00 38.32 38.83 1qgh h ASN 19 CO 0.02 0.04 0.58 -0.07 -1.65 0.00 0.00 177.43 176.35 1qgh h LEU 20 N 0.21 0.98 -1.24 1.61 4.07 -0.52 0.29 115.31 120.70 1qgh h LEU 20 Ca 0.20 -0.01 -0.06 0.00 0.08 0.00 0.00 57.88 58.09 1qgh h LEU 20 Cb 0.25 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 41.75 1qgh h LEU 20 CO -0.27 0.68 -0.11 0.78 -1.08 0.00 0.00 178.44 178.44 1qgh h ASN 21 N 1.14 0.37 -0.06 -0.43 2.35 -0.65 -0.37 115.58 117.93 1qgh h ASN 21 Ca 0.35 -0.08 -0.23 0.00 -0.55 0.00 0.00 56.30 55.79 1qgh h ASN 21 Cb -0.02 -0.10 0.02 0.00 0.05 0.00 0.00 38.32 38.27 1qgh h ASN 21 CO -0.11 0.52 -0.87 0.58 -1.65 0.00 0.00 177.43 175.89 1qgh h VAL 22 N 0.36 1.30 -0.87 2.81 2.07 -0.57 -3.11 116.25 118.23 1qgh h VAL 22 Ca 0.07 -2.10 -0.02 0.00 0.82 0.00 0.00 66.70 65.47 1qgh h VAL 22 Cb 0.42 2.24 -0.04 0.00 -1.52 0.00 0.00 31.29 32.39 1qgh h VAL 22 CO 0.02 0.65 0.46 0.15 0.02 0.00 0.00 177.57 178.88 1qgh h PHE 23 N 0.39 1.21 -0.59 1.57 3.57 -0.03 -1.77 116.94 121.28 1qgh h PHE 23 Ca -0.09 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.36 1qgh h PHE 23 Cb 1.52 -0.38 -0.03 0.00 2.79 0.00 0.00 35.95 39.85 1qgh h PHE 23 CO 0.10 0.85 0.33 0.00 -2.23 0.00 0.00 178.31 177.36 1qgh h THR 24 N 1.22 1.19 -0.07 4.41 1.03 -1.12 0.17 112.91 119.75 1qgh h THR 24 Ca 0.30 -0.47 -0.09 0.00 -0.01 0.00 0.00 66.41 66.14 1qgh h THR 24 Cb 0.05 0.42 -0.01 0.00 -1.07 0.00 0.00 68.15 67.55 1qgh h THR 24 CO -0.05 0.21 -0.35 0.58 -0.01 0.00 0.00 175.52 175.89 1qgh h VAL 25 N 0.80 1.28 -0.58 0.00 2.07 -1.45 -2.35 116.25 116.01 1qgh h VAL 25 Ca 0.21 -1.32 -0.09 0.00 0.82 0.00 0.00 66.70 66.32 1qgh h VAL 25 Cb 0.04 1.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 1qgh h VAL 25 CO -0.03 0.39 0.00 0.50 0.02 0.00 0.00 177.57 178.45 1qgh h LYS 26 N 0.12 1.02 -0.94 1.57 3.64 -0.24 -0.46 116.57 121.27 1qgh h LYS 26 Ca 0.01 -0.31 -0.01 0.00 -1.27 0.00 0.00 60.65 59.07 1qgh h LYS 26 Cb 0.69 -0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 32.37 1qgh h LYS 26 CO 0.05 0.99 0.55 0.82 -2.27 0.00 0.00 179.45 179.60 1qgh h ILE 27 N 0.93 1.26 -0.42 2.00 2.04 -0.32 -1.79 117.51 121.21 1qgh h ILE 27 Ca 0.17 -0.58 -0.11 0.00 1.00 0.00 0.00 64.86 65.34 1qgh h ILE 27 Cb 0.54 -0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.55 1qgh h ILE 27 CO 0.03 0.28 -0.19 0.45 0.00 0.00 0.00 178.15 178.72 1qgh h HIS 28 N 1.30 0.91 -0.34 1.37 3.86 -0.89 -1.49 115.15 119.87 1qgh h HIS 28 Ca 0.33 -0.20 0.04 0.00 -1.16 0.00 0.00 60.37 59.39 1qgh h HIS 28 Cb -0.04 -0.22 -0.04 0.00 1.06 0.00 0.00 27.41 28.17 1qgh h HIS 28 CO 0.01 0.93 0.09 0.37 0.86 0.00 0.00 177.93 180.18 1qgh h GLN 29 N 0.71 0.21 -0.68 2.45 4.15 -0.29 0.24 115.11 121.91 1qgh h GLN 29 Ca 0.10 -0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.52 1qgh h GLN 29 Cb 0.70 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.31 1qgh h GLN 29 CO 0.05 0.14 0.44 0.82 -1.93 0.00 0.00 178.83 178.35 1qgh h ILE 30 N 0.21 1.18 -0.87 2.39 2.04 -1.24 0.75 117.51 121.96 1qgh h ILE 30 Ca 0.16 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.69 1qgh h ILE 30 Cb 0.16 0.19 -0.04 0.00 -0.74 0.00 0.00 36.82 36.38 1qgh h ILE 30 CO -0.19 0.17 0.55 -0.74 0.00 0.00 0.00 178.15 177.94 1qgh h HIS 31 N 0.92 1.12 0.22 1.37 2.76 -0.68 0.29 115.15 121.15 1qgh h HIS 31 Ca 0.25 0.01 -0.33 0.00 -2.20 0.00 0.00 60.37 58.10 1qgh h HIS 31 Cb -0.10 -0.37 0.04 0.00 1.55 0.00 0.00 27.41 28.52 1qgh h HIS 31 CO -0.03 0.73 -1.43 -1.49 -1.30 0.00 0.00 177.93 174.42 1qgh h TRP 32 N 1.19 0.97 0.00 5.26 6.55 -0.08 -3.38 115.95 126.46 1qgh h TRP 32 Ca 0.31 -0.69 0.00 0.00 0.95 0.00 0.00 58.89 59.46 1qgh h TRP 32 Cb -0.09 -0.05 0.00 0.00 -0.86 0.00 0.00 29.16 28.16 1qgh h TRP 32 CO -0.01 1.53 -0.98 0.66 -1.05 0.00 0.00 178.44 178.60 1qgh n TYR 33 N -3.72 0.86 -1.47 0.49 4.01 0.21 -4.95 117.16 112.59 1qgh n TYR 33 Ca -0.16 0.25 -0.36 0.00 -0.16 0.00 0.00 57.90 57.47 1qgh n TYR 33 Cb 1.08 -0.88 0.09 0.00 -0.31 0.00 0.00 39.34 39.32 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 -2.55 0.71 -3.79 -0.72 0.00 0.07 -5.01 117.12 105.84 1qgh n MET 34 Ca 0.00 0.30 -0.10 0.00 0.00 0.00 0.00 57.70 57.91 1qgh n MET 34 Cb 0.53 -2.41 -0.07 0.00 0.00 0.00 0.00 33.22 31.27 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 -3.52 0.87 0.00 3.17 0.52 -1.26 -5.00 118.95 113.73 1qgh s ARG 35 Ca 0.78 -0.77 0.00 0.00 -0.52 0.00 0.00 55.73 55.21 1qgh s ARG 35 Cb -0.35 0.37 0.00 0.00 0.52 0.00 0.00 34.95 35.48 1qgh s ARG 35 CO 0.46 -0.29 0.00 0.41 0.02 0.00 0.00 175.30 175.90 1qgh n GLY 36 N 0.12 2.96 0.33 -3.53 0.00 -1.26 -4.46 105.19 99.35 1qgh n GLY 36 Ca -0.16 -1.96 0.18 0.00 0.00 0.00 0.00 46.02 44.07 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 -0.39 1.61 3.86 -2.07 -0.70 115.15 117.46 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 -2.91 2.69 -0.07 2.45 4.13 -1.26 -4.61 115.26 115.68 1qgh n ASN 38 Ca -0.02 -1.92 -0.12 0.00 1.68 0.00 0.00 54.58 54.20 1qgh n ASN 38 Cb 0.26 -0.26 -0.07 0.00 -1.54 0.00 0.00 39.78 38.18 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 3.25 -1.38 -0.36 3.10 3.57 -1.43 -0.17 116.94 123.52 1qgh h PHE 39 Ca 0.00 0.06 0.05 0.00 3.53 0.00 0.00 57.97 61.61 1qgh h PHE 39 Cb 0.73 0.64 -0.04 0.00 2.79 0.00 0.00 35.95 40.07 1qgh h PHE 39 CO 0.26 -0.48 0.11 0.74 -2.23 0.00 0.00 178.31 176.71 1qgh h PHE 40 N -0.43 0.19 -0.28 0.41 0.04 -1.84 0.22 116.94 115.25 1qgh h PHE 40 Ca 0.09 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.86 1qgh h PHE 40 Cb 0.62 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.72 1qgh h PHE 40 CO -0.60 0.07 0.07 0.00 -0.60 0.00 0.00 178.31 177.25 1qgh h THR 41 N 0.25 1.21 0.00 -1.55 1.03 -1.82 -2.25 112.91 109.79 1qgh h THR 41 Ca 0.17 -0.70 -0.09 0.00 -0.01 0.00 0.00 66.41 65.78 1qgh h THR 41 Cb 0.16 1.14 -0.01 0.00 -1.07 0.00 0.00 68.15 68.36 1qgh h THR 41 CO -0.18 0.23 -0.43 -0.07 -0.01 0.00 0.00 175.52 175.05 1qgh h LEU 42 N 0.29 0.00 -0.16 0.00 4.07 -0.89 -1.55 115.31 117.06 1qgh h LEU 42 Ca 0.09 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.04 1qgh h LEU 42 Cb 0.28 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.01 1qgh h LEU 42 CO 0.00 0.43 0.05 -0.74 -1.08 0.00 0.00 178.44 177.11 1qgh h HIS 43 N 0.00 0.25 -0.36 1.13 2.76 -0.36 -0.55 115.15 118.02 1qgh h HIS 43 Ca -0.00 -0.02 -0.12 0.00 -2.20 0.00 0.00 60.37 58.02 1qgh h HIS 43 Cb 1.00 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 29.87 1qgh h HIS 43 CO 0.00 0.35 -0.27 0.93 -1.30 0.00 0.00 177.93 177.64 1qgh h GLU 44 N 0.08 0.74 -0.38 5.26 5.08 -1.25 -2.95 114.58 121.16 1qgh h GLU 44 Ca 0.05 -0.32 -0.01 0.00 -1.00 0.00 0.00 59.36 58.08 1qgh h GLU 44 Cb 0.21 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1qgh h GLU 44 CO -0.00 0.92 0.18 -0.22 -1.00 0.00 0.00 179.01 178.89 1qgh h LYS 45 N 0.63 0.53 -0.09 2.33 1.63 -0.92 -0.31 116.57 120.39 1qgh h LYS 45 Ca 0.08 -0.06 -0.09 0.00 -0.85 0.00 0.00 60.65 59.73 1qgh h LYS 45 Cb 0.78 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 32.29 1qgh h LYS 45 CO 0.06 0.43 -0.35 0.52 -3.45 0.00 0.00 179.45 176.65 1qgh h MET 46 N 0.54 0.17 -0.36 1.90 2.86 -0.94 -0.66 114.93 118.44 1qgh h MET 46 Ca 0.14 -0.07 -0.08 0.00 -2.06 0.00 0.00 59.70 57.62 1qgh h MET 46 Cb 0.07 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.71 1qgh h MET 46 CO -0.02 0.51 -0.13 -0.44 1.06 0.00 0.00 176.91 177.89 1qgh h ASP 47 N 0.15 0.63 -0.29 1.22 3.32 -0.93 0.76 116.42 121.27 1qgh h ASP 47 Ca 0.02 -0.18 -0.14 0.00 0.02 0.00 0.00 57.03 56.75 1qgh h ASP 47 Cb 0.70 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 40.08 1qgh h ASP 47 CO 0.05 0.78 -0.36 0.44 -1.72 0.00 0.00 179.24 178.44 1qgh h ASP 48 N 0.58 0.82 -0.86 6.45 3.32 -0.66 -2.51 116.42 123.57 1qgh h ASP 48 Ca 0.10 -0.49 -0.03 0.00 0.02 0.00 0.00 57.03 56.63 1qgh h ASP 48 Cb 0.56 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 39.84 1qgh h ASP 48 CO 0.04 1.15 0.42 -0.07 -1.72 0.00 0.00 179.24 179.05 1qgh h LEU 49 N 0.52 1.12 -0.49 1.55 4.07 -0.85 -1.22 115.31 120.00 1qgh h LEU 49 Ca 0.04 -0.13 0.01 0.00 0.08 0.00 0.00 57.88 57.88 1qgh h LEU 49 Cb 0.94 -0.29 -0.03 0.00 1.08 0.00 0.00 40.66 42.37 1qgh h LEU 49 CO 0.09 0.94 0.31 0.22 -1.08 0.00 0.00 178.44 178.91 1qgh h TYR 50 N 1.22 0.59 -0.24 1.13 5.03 -0.62 0.81 116.97 124.89 1qgh h TYR 50 Ca 0.29 0.02 -0.11 0.00 2.58 0.00 0.00 58.73 61.50 1qgh h TYR 50 Cb 0.11 -0.20 -0.00 0.00 1.55 0.00 0.00 36.73 38.19 1qgh h TYR 50 CO 0.01 0.36 -0.30 0.77 -1.32 0.00 0.00 178.16 177.68 1qgh h SER 51 N 0.63 0.68 -0.17 -2.11 0.02 -1.24 -1.53 113.55 109.83 1qgh h SER 51 Ca 0.19 -0.50 0.01 0.00 -0.84 0.00 0.00 61.79 60.64 1qgh h SER 51 Cb -0.04 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.30 1qgh h SER 51 CO -0.06 1.04 0.10 -0.08 -1.14 0.00 0.00 176.83 176.69 1qgh h GLU 52 N 0.33 0.20 0.00 3.45 4.81 -0.90 -1.37 114.58 121.11 1qgh h GLU 52 Ca 0.03 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.16 1qgh h GLU 52 Cb 0.87 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.19 1qgh h GLU 52 CO 0.07 0.13 -0.43 0.74 -0.73 0.00 0.00 179.01 178.79 1qgh h PHE 53 N 0.21 0.00 -0.60 0.92 -1.00 -0.84 -1.02 116.94 114.61 1qgh h PHE 53 Ca 0.06 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.81 1qgh h PHE 53 Cb -0.01 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.52 1qgh h PHE 53 CO -0.08 0.43 0.26 0.78 -1.61 0.00 0.00 178.31 178.09 1qgh h GLY 54 N 1.44 0.96 1.26 -1.45 0.00 -1.06 0.33 103.07 104.55 1qgh h GLY 54 Ca -0.00 -0.51 -0.19 0.00 0.00 0.00 0.00 47.33 46.63 1qgh h GLY 54 CO 0.06 0.48 -0.61 0.83 0.00 0.00 0.00 176.54 177.30 1qgh h GLU 55 N 0.84 0.76 -0.74 4.80 5.08 -0.54 -1.95 114.58 122.83 1qgh h GLU 55 Ca 0.20 -0.52 0.02 0.00 -1.00 0.00 0.00 59.36 58.07 1qgh h GLU 55 Cb 0.18 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.46 1qgh h GLU 55 CO -0.02 1.14 0.48 1.96 -1.00 0.00 0.00 179.01 181.57 1qgh h GLN 56 N 0.57 0.92 0.07 2.33 4.20 -0.39 -0.77 115.11 122.04 1qgh h GLN 56 Ca -0.00 -0.06 0.01 0.00 0.06 0.00 0.00 58.65 58.66 1qgh h GLN 56 Cb 1.21 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 28.76 1qgh h GLN 56 CO 0.13 0.61 -0.15 1.98 -0.67 0.00 0.00 178.83 180.73 1qgh h MET 57 N 0.95 -0.27 -0.46 1.46 4.05 -0.17 0.31 114.93 120.80 1qgh h MET 57 Ca 0.29 0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.71 1qgh h MET 57 Cb -0.03 0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 30.81 1qgh h MET 57 CO -0.09 -0.18 0.22 0.22 0.23 0.00 0.00 176.91 177.30 1qgh h ASP 58 N -0.28 0.58 0.00 1.39 3.58 -0.81 -0.92 116.42 119.96 1qgh h ASP 58 Ca 0.03 -0.05 -0.16 0.00 0.42 0.00 0.00 57.03 57.27 1qgh h ASP 58 Cb 0.31 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.21 1qgh h ASP 58 CO -0.09 0.50 -0.53 -0.33 -2.88 0.00 0.00 179.24 175.90 1qgh h GLU 59 N 0.65 0.57 -0.08 0.28 5.08 -0.51 0.34 114.58 120.92 1qgh h GLU 59 Ca 0.16 -0.35 -0.01 0.00 -1.00 0.00 0.00 59.36 58.16 1qgh h GLU 59 Cb 0.08 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 1qgh h GLU 59 CO -0.02 0.96 0.02 0.28 -1.00 0.00 0.00 179.01 179.25 1qgh h VAL 60 N 0.45 1.19 -0.52 3.13 2.07 0.33 -0.71 116.25 122.19 1qgh h VAL 60 Ca 0.01 -0.59 0.07 0.00 0.82 0.00 0.00 66.70 67.01 1qgh h VAL 60 Cb 1.07 1.45 -0.06 0.00 -1.52 0.00 0.00 31.29 32.23 1qgh h VAL 60 CO 0.10 0.17 0.20 0.00 0.02 0.00 0.00 177.57 178.05 1qgh h ALA 61 N 0.80 0.65 0.00 1.67 0.00 -1.07 0.17 119.26 121.48 1qgh h ALA 61 Ca 0.02 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 1qgh h ALA 61 Cb 0.25 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1qgh h ALA 61 CO 0.00 -0.20 -0.39 0.93 0.00 0.00 0.00 179.25 179.59 1qgh h GLU 62 N 0.38 0.00 -0.10 0.00 5.08 -0.82 -0.69 114.58 118.43 1qgh h GLU 62 Ca 0.25 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.41 1qgh h GLU 62 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1qgh h GLU 62 CO -0.25 0.39 -0.75 -0.09 -1.00 0.00 0.00 179.01 177.31 1qgh h ARG 63 N 0.00 0.52 0.52 2.33 9.65 -0.03 -1.17 114.38 126.20 1qgh h ARG 63 Ca -0.00 -0.43 -0.03 0.00 -1.10 0.00 0.00 59.98 58.42 1qgh h ARG 63 Cb 0.84 0.09 0.01 0.00 -1.39 0.00 0.00 29.97 29.52 1qgh h ARG 63 CO 0.05 1.06 -0.25 1.25 2.80 0.00 0.00 179.97 184.88 1qgh h LEU 64 N 0.35 -0.59 -0.85 3.80 5.85 -0.61 -1.61 115.31 121.65 1qgh h LEU 64 Ca -0.04 0.00 0.17 0.00 0.84 0.00 0.00 57.88 58.86 1qgh h LEU 64 Cb 1.35 0.15 -0.11 0.00 0.37 0.00 0.00 40.66 42.42 1qgh h LEU 64 CO 0.14 -0.39 0.39 0.25 -0.34 0.00 0.00 178.44 178.49 1qgh h LEU 65 N -0.73 0.41 -1.63 2.25 5.85 -1.11 0.18 115.31 120.53 1qgh h LEU 65 Ca -0.07 0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.73 1qgh h LEU 65 Cb 0.55 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.64 1qgh h LEU 65 CO 0.12 0.11 -0.17 0.00 -0.34 0.00 0.00 178.44 178.16 1qgh h ALA 66 N 1.62 1.19 -0.54 1.25 0.00 -0.54 -1.10 119.26 121.14 1qgh h ALA 66 Ca 0.49 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.25 1qgh h ALA 66 Cb 0.81 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 1qgh h ALA 66 CO -0.44 0.21 0.00 0.44 0.00 0.00 0.00 179.25 179.47 1qgh n ILE 67 N -3.57 2.58 -0.72 0.00 -5.35 0.41 -4.90 119.36 107.81 1qgh n ILE 67 Ca -0.01 -1.30 0.00 0.00 -0.27 0.00 0.00 62.75 61.17 1qgh n ILE 67 Cb 0.31 -0.30 0.00 0.00 -1.74 0.00 0.00 39.64 37.91 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 0.58 0.63 1.46 3.28 0.00 -0.42 -5.05 105.19 105.66 1qgh n GLY 68 Ca 0.26 -0.14 -0.10 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.72 0.01 2.61 -0.02 0.00 0.06 -4.96 105.19 100.17 1qgh n GLY 69 Ca 0.00 -1.88 -0.27 0.00 0.00 0.00 0.00 46.02 43.88 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 -2.64 2.65 0.58 1.61 0.01 -1.26 -4.16 113.70 110.48 1qgh s SER 70 Ca 0.26 -0.77 -0.19 0.00 1.31 0.00 0.00 55.95 56.56 1qgh s SER 70 Cb -0.01 -0.31 -0.04 0.00 0.21 0.00 0.00 66.02 65.86 1qgh s SER 70 CO 0.18 -0.36 1.14 -2.16 0.41 0.00 0.00 173.24 172.45 1qgh s PRO 71 N 2.09 3.17 0.64 12.44 0.04 -1.26 -4.98 135.00 147.14 1qgh s PRO 71 Ca 0.03 1.63 -0.17 0.00 0.04 0.00 0.00 61.00 62.53 1qgh s PRO 71 Cb -0.16 -1.98 -0.01 0.00 0.04 0.00 0.00 34.50 32.39 1qgh s PRO 71 CO -0.14 -1.00 1.17 -0.06 0.04 0.00 0.00 177.00 177.00 1qgh s PHE 72 N -1.82 2.41 -0.33 0.56 0.08 -1.26 -4.95 117.98 112.66 1qgh s PHE 72 Ca 0.73 1.55 0.15 0.00 0.12 0.00 0.00 56.93 59.48 1qgh s PHE 72 Cb -0.25 -3.36 0.43 0.00 -0.57 0.00 0.00 43.02 39.27 1qgh s PHE 72 CO 0.31 -2.07 1.43 -1.13 -0.10 0.00 0.00 175.22 173.66 1qgh n SER 73 N -2.07 -0.84 -3.72 1.36 3.41 -1.26 -4.96 113.62 105.54 1qgh n SER 73 Ca 0.12 -2.22 -0.14 0.00 -0.26 0.00 0.00 58.87 56.37 1qgh n SER 73 Cb 0.51 0.46 -0.08 0.00 -0.26 0.00 0.00 64.21 64.83 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 0.05 0.46 6.66 -4.23 -1.26 -5.04 115.64 111.54 1qgh s THR 74 Ca 0.14 -0.38 0.13 0.00 -1.18 0.00 0.00 61.69 60.40 1qgh s THR 74 Cb 0.42 -0.67 0.29 0.00 1.34 0.00 0.00 72.50 73.88 1qgh s THR 74 CO -0.10 -0.21 2.07 -0.07 -0.54 0.00 0.00 174.62 175.77 1qgh h LEU 75 N 3.79 0.27 0.16 4.79 4.07 -1.99 -1.56 115.31 124.84 1qgh h LEU 75 Ca -0.29 -0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.66 1qgh h LEU 75 Cb 1.17 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.85 1qgh h LEU 75 CO 0.39 0.18 -0.08 0.50 -1.08 0.00 0.00 178.44 178.36 1qgh h LYS 76 N 0.31 -0.21 -0.93 1.13 3.64 -1.98 0.52 116.57 119.04 1qgh h LYS 76 Ca 0.13 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.59 1qgh h LYS 76 Cb 0.15 0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 31.96 1qgh h LYS 76 CO -0.03 -0.08 0.61 0.93 -2.27 0.00 0.00 179.45 178.61 1qgh h GLU 77 N -0.30 1.05 0.29 1.90 5.08 -1.85 0.11 114.58 120.86 1qgh h GLU 77 Ca -0.02 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1qgh h GLU 77 Cb 0.23 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1qgh h GLU 77 CO 0.04 0.69 -0.14 0.74 -1.00 0.00 0.00 179.01 179.34 1qgh h PHE 78 N 1.08 -0.36 -0.86 4.33 0.04 -0.57 -0.38 116.94 120.22 1qgh h PHE 78 Ca 0.40 -0.01 0.11 0.00 2.80 0.00 0.00 57.97 61.27 1qgh h PHE 78 Cb 0.18 0.12 -0.06 0.00 2.20 0.00 0.00 35.95 38.38 1qgh h PHE 78 CO -0.00 -0.09 0.56 -0.07 -0.60 0.00 0.00 178.31 178.10 1qgh h LEU 79 N -0.60 0.71 -0.96 1.54 3.38 0.58 0.70 115.31 120.65 1qgh h LEU 79 Ca -0.04 0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 1qgh h LEU 79 Cb 0.43 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1qgh h LEU 79 CO 0.07 0.40 -0.50 -0.33 0.09 0.00 0.00 178.44 178.17 1qgh h GLU 80 N 0.77 0.00 0.00 1.13 5.08 -0.38 -3.32 114.58 117.86 1qgh h GLU 80 Ca 0.41 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.77 1qgh h GLU 80 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1qgh h GLU 80 CO -0.17 0.50 -1.42 0.09 -1.00 0.00 0.00 179.01 177.01 1qgh n ASN 81 N -3.84 1.04 -4.77 1.42 4.13 -0.19 -5.02 115.26 108.03 1qgh n ASN 81 Ca -0.01 -0.31 -0.40 0.00 1.68 0.00 0.00 54.58 55.54 1qgh n ASN 81 Cb 0.53 1.50 -0.01 0.00 -1.54 0.00 0.00 39.78 40.26 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 -2.94 3.38 -0.16 5.41 0.00 0.10 -4.85 121.76 122.70 1qgh s ALA 82 Ca -0.02 1.34 0.21 0.00 0.00 0.00 0.00 51.96 53.50 1qgh s ALA 82 Cb 0.11 -3.52 -0.13 0.00 0.00 0.00 0.00 23.12 19.58 1qgh s ALA 82 CO 0.68 -0.88 0.80 -1.13 0.00 0.00 0.00 175.76 175.24 1qgh n SER 83 N 0.32 0.58 -4.74 0.00 3.41 -1.26 -4.89 113.62 107.04 1qgh n SER 83 Ca 0.02 0.23 -0.41 0.00 -0.26 0.00 0.00 58.87 58.45 1qgh n SER 83 Cb 0.42 0.84 -0.03 0.00 -0.26 0.00 0.00 64.21 65.18 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 -3.28 3.19 0.02 -3.33 1.01 -1.26 -5.01 120.40 111.73 1qgh s VAL 84 Ca -0.03 1.00 -0.09 0.00 0.00 0.00 0.00 61.98 62.86 1qgh s VAL 84 Cb 0.10 -3.64 -0.05 0.00 0.00 0.00 0.00 36.38 32.79 1qgh s VAL 84 CO 0.83 0.16 0.33 -1.61 0.00 0.00 0.00 175.10 174.81 1qgh s GLU 85 N -0.33 3.69 0.14 2.72 0.41 -1.26 -5.00 118.70 119.07 1qgh s GLU 85 Ca 0.55 0.09 0.05 0.00 -0.41 0.00 0.00 54.97 55.26 1qgh s GLU 85 Cb -0.36 -3.09 -0.04 0.00 -1.78 0.00 0.00 34.13 28.86 1qgh s GLU 85 CO 0.40 0.64 -0.12 -1.83 -0.49 0.00 0.00 175.26 173.85 1qgh s GLU 86 N -1.61 1.07 -0.21 1.61 -1.05 -1.26 -5.03 118.70 112.22 1qgh s GLU 86 Ca 0.27 -1.37 -0.14 0.00 -0.15 0.00 0.00 54.97 53.58 1qgh s GLU 86 Cb -0.14 -0.80 0.06 0.00 -0.44 0.00 0.00 34.13 32.81 1qgh s GLU 86 CO 0.15 0.13 0.53 0.00 0.95 0.00 0.00 175.26 177.02 1qgh s ALA 87 N -2.76 -1.36 0.64 -0.84 0.00 -1.26 -5.15 121.76 111.03 1qgh s ALA 87 Ca 0.14 1.76 -0.18 0.00 0.00 0.00 0.00 51.96 53.68 1qgh s ALA 87 Cb -0.01 -1.04 -0.03 0.00 0.00 0.00 0.00 23.12 22.03 1qgh s ALA 87 CO 0.02 -0.29 0.95 -0.35 0.00 0.00 0.00 175.76 176.09 1qgh n PRO 88 N 3.79 0.78 -3.24 0.00 -0.04 -1.26 -4.88 135.00 130.15 1qgh n PRO 88 Ca -0.19 0.31 -0.43 0.00 -0.04 0.00 0.00 63.50 63.15 1qgh n PRO 88 Cb 0.57 -2.17 -0.08 0.00 -0.04 0.00 0.00 33.50 31.77 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 -1.59 3.13 -0.04 0.54 5.04 -1.26 -4.83 117.35 118.35 1qgh s TYR 89 Ca 0.76 -0.21 -0.08 0.00 -2.44 0.00 0.00 57.07 55.09 1qgh s TYR 89 Cb -0.40 -3.06 -0.03 0.00 0.35 0.00 0.00 41.96 38.83 1qgh s TYR 89 CO 0.47 -0.75 -0.16 0.25 -1.34 0.00 0.00 175.55 174.02 1qgh n THR 90 N 5.58 1.29 -3.04 4.34 -2.24 -1.26 -5.04 114.28 113.91 1qgh n THR 90 Ca -0.05 0.28 -0.32 0.00 -2.27 0.00 0.00 64.05 61.68 1qgh n THR 90 Cb 0.48 -1.92 -0.06 0.00 -2.10 0.00 0.00 70.33 66.72 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 -2.37 4.04 -0.22 -0.78 2.20 -1.26 -5.02 119.74 116.33 1qgh s LYS 91 Ca -0.13 0.76 -0.23 0.00 -0.36 0.00 0.00 55.97 56.01 1qgh s LYS 91 Cb 0.02 -2.37 -0.01 0.00 -1.51 0.00 0.00 37.83 33.96 1qgh s LYS 91 CO 0.20 0.10 0.75 -2.14 -0.36 0.00 0.00 175.35 173.90 1qgh s PRO 92 N -3.10 4.20 0.36 4.03 0.02 -1.26 -5.02 135.00 134.23 1qgh s PRO 92 Ca 0.56 0.82 0.04 0.00 0.02 0.00 0.00 61.00 62.44 1qgh s PRO 92 Cb -0.10 -3.62 -0.01 0.00 0.02 0.00 0.00 34.50 30.79 1qgh s PRO 92 CO 0.17 -0.40 0.52 0.15 -0.33 0.00 0.00 177.00 177.12 1qgh s LYS 93 N 2.43 3.16 0.40 5.54 1.02 -1.26 -5.12 119.74 125.90 1qgh s LYS 93 Ca 0.33 -0.78 -0.12 0.00 0.02 0.00 0.00 55.97 55.42 1qgh s LYS 93 Cb -0.16 -2.74 -0.07 0.00 -0.52 0.00 0.00 37.83 34.34 1qgh s LYS 93 CO 0.09 0.01 0.79 0.99 -0.92 0.00 0.00 175.35 176.31 1qgh s THR 94 N -2.28 4.74 0.29 2.17 2.01 -1.26 -4.87 115.64 116.45 1qgh s THR 94 Ca 0.44 0.73 0.04 0.00 0.31 0.00 0.00 61.69 63.21 1qgh s THR 94 Cb -0.10 -3.71 0.28 0.00 0.01 0.00 0.00 72.50 68.98 1qgh s THR 94 CO 0.33 -0.49 1.75 -0.03 -0.69 0.00 0.00 174.62 175.49 1qgh h MET 95 N 1.37 0.60 -0.52 4.92 4.05 -1.99 0.92 114.93 124.28 1qgh h MET 95 Ca -0.47 -0.04 -0.05 0.00 -0.28 0.00 0.00 59.70 58.86 1qgh h MET 95 Cb 1.19 -0.13 -0.02 0.00 -0.80 0.00 0.00 31.60 31.83 1qgh h MET 95 CO 0.64 0.40 0.14 -0.44 0.23 0.00 0.00 176.91 177.88 1qgh h ASP 96 N 0.62 0.78 -0.67 1.39 5.19 -1.95 0.61 116.42 122.38 1qgh h ASP 96 Ca 0.55 -0.22 -0.03 0.00 -0.62 0.00 0.00 57.03 56.72 1qgh h ASP 96 Cb 0.92 -0.20 -0.03 0.00 0.18 0.00 0.00 39.33 40.19 1qgh h ASP 96 CO -0.42 0.80 0.31 1.56 -3.12 0.00 0.00 179.24 178.36 1qgh h GLN 97 N 0.72 0.97 -0.30 3.56 4.20 0.18 0.20 115.11 124.64 1qgh h GLN 97 Ca 0.17 -0.15 -0.02 0.00 0.06 0.00 0.00 58.65 58.71 1qgh h GLN 97 Cb 0.31 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 1qgh h GLN 97 CO -0.00 0.78 0.11 -0.07 -0.67 0.00 0.00 178.83 178.98 1qgh h LEU 98 N 0.93 0.43 -0.98 1.46 3.38 0.92 -1.36 115.31 120.08 1qgh h LEU 98 Ca 0.23 -0.18 0.03 0.00 0.09 0.00 0.00 57.88 58.05 1qgh h LEU 98 Cb 0.13 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 40.72 1qgh h LEU 98 CO -0.03 0.49 0.64 0.24 0.09 0.00 0.00 178.44 179.87 1qgh h MET 99 N 0.34 1.21 -0.50 1.13 2.86 0.60 -0.22 114.93 120.35 1qgh h MET 99 Ca 0.10 -0.07 -0.03 0.00 -2.06 0.00 0.00 59.70 57.64 1qgh h MET 99 Cb 0.20 -0.27 -0.02 0.00 0.06 0.00 0.00 31.60 31.56 1qgh h MET 99 CO -0.01 0.80 0.19 0.93 1.06 0.00 0.00 176.91 179.88 1qgh h GLU 100 N 1.25 0.72 -0.36 1.72 5.08 -0.28 0.41 114.58 123.11 1qgh h GLU 100 Ca 0.38 -0.11 -0.12 0.00 -1.00 0.00 0.00 59.36 58.52 1qgh h GLU 100 Cb -0.02 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 1qgh h GLU 100 CO -0.12 0.60 -0.25 0.22 -1.00 0.00 0.00 179.01 178.46 1qgh h ASP 101 N 0.71 0.85 0.05 1.42 3.58 0.04 -0.42 116.42 122.65 1qgh h ASP 101 Ca 0.17 -0.44 -0.00 0.00 0.42 0.00 0.00 57.03 57.18 1qgh h ASP 101 Cb 0.16 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 40.97 1qgh h ASP 101 CO -0.02 1.10 -0.02 0.25 -2.88 0.00 0.00 179.24 177.67 1qgh h LEU 102 N 0.60 -0.05 -0.94 2.28 6.46 0.15 -2.07 115.31 121.74 1qgh h LEU 102 Ca 0.07 -0.03 -0.03 0.00 -0.12 0.00 0.00 57.88 57.77 1qgh h LEU 102 Cb 0.82 0.01 -0.04 0.00 -0.73 0.00 0.00 40.66 40.73 1qgh h LEU 102 CO 0.07 -0.01 0.37 0.58 -0.62 0.00 0.00 178.44 178.83 1qgh h VAL 103 N -0.09 1.25 -0.64 1.05 2.07 -0.12 -0.28 116.25 119.48 1qgh h VAL 103 Ca -0.01 -0.70 -0.04 0.00 0.82 0.00 0.00 66.70 66.77 1qgh h VAL 103 Cb 0.08 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.06 1qgh h VAL 103 CO 0.01 0.30 0.23 1.23 0.02 0.00 0.00 177.57 179.36 1qgh h GLY 104 N 1.16 1.03 1.29 2.17 0.00 -0.88 0.10 103.07 107.93 1qgh h GLY 104 Ca 0.27 -0.55 -0.11 0.00 0.00 0.00 0.00 47.33 46.93 1qgh h GLY 104 CO -0.03 0.52 -0.20 -0.84 0.00 0.00 0.00 176.54 175.99 1qgh h THR 105 N 0.93 1.27 -0.41 4.70 2.02 -0.60 0.04 112.91 120.87 1qgh h THR 105 Ca 0.21 -1.32 -0.00 0.00 0.77 0.00 0.00 66.41 66.08 1qgh h THR 105 Cb 0.22 1.16 -0.02 0.00 -1.74 0.00 0.00 68.15 67.77 1qgh h THR 105 CO -0.01 0.45 0.25 -0.07 0.37 0.00 0.00 175.52 176.50 1qgh h LEU 106 N 0.72 0.48 -0.71 2.58 3.38 -0.68 -0.59 115.31 120.50 1qgh h LEU 106 Ca 0.10 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.04 1qgh h LEU 106 Cb 0.72 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.31 1qgh h LEU 106 CO 0.06 0.39 0.46 -0.33 0.09 0.00 0.00 178.44 179.10 1qgh h GLU 107 N 0.54 0.89 -0.56 1.13 5.08 -0.20 0.29 114.58 121.74 1qgh h GLU 107 Ca 0.15 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.47 1qgh h GLU 107 Cb -0.01 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.00 1qgh h GLU 107 CO -0.03 0.59 0.35 1.25 -1.00 0.00 0.00 179.01 180.17 1qgh h LEU 108 N 0.92 0.58 -0.73 1.33 6.46 -0.45 -0.92 115.31 122.49 1qgh h LEU 108 Ca 0.27 -0.00 -0.06 0.00 -0.12 0.00 0.00 57.88 57.96 1qgh h LEU 108 Cb -0.05 -0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 39.72 1qgh h LEU 108 CO -0.08 0.41 0.21 -0.07 -0.62 0.00 0.00 178.44 178.29 1qgh h LEU 109 N 0.70 1.09 -0.16 2.25 3.38 -0.36 -0.64 115.31 121.57 1qgh h LEU 109 Ca 0.22 -0.22 0.04 0.00 0.09 0.00 0.00 57.88 58.01 1qgh h LEU 109 Cb -0.01 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.42 1qgh h LEU 109 CO -0.08 1.02 -0.07 -0.09 0.09 0.00 0.00 178.44 179.30 1qgh h ARG 110 N 1.10 -0.05 -0.65 1.13 2.43 0.16 0.28 114.38 118.77 1qgh h ARG 110 Ca 0.23 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.33 1qgh h ARG 110 Cb 0.33 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.87 1qgh h ARG 110 CO -0.00 -0.04 0.10 -0.44 -1.51 0.00 0.00 179.97 178.08 1qgh h ASP 111 N -0.06 1.03 -0.00 -3.80 3.32 -0.89 -0.71 116.42 115.32 1qgh h ASP 111 Ca 0.09 -0.26 -0.17 0.00 0.02 0.00 0.00 57.03 56.70 1qgh h ASP 111 Cb 0.19 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.46 1qgh h ASP 111 CO -0.19 1.03 -0.59 -0.33 -1.72 0.00 0.00 179.24 177.44 1qgh h GLU 112 N 0.99 0.60 -1.00 3.56 5.08 -0.76 -2.63 114.58 120.43 1qgh h GLU 112 Ca 0.20 -0.40 0.04 0.00 -1.00 0.00 0.00 59.36 58.19 1qgh h GLU 112 Cb 0.44 0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.69 1qgh h GLU 112 CO 0.01 1.02 0.65 1.88 -1.00 0.00 0.00 179.01 181.57 1qgh h TYR 113 N 0.45 1.22 -0.97 4.33 -1.99 -0.16 -0.44 116.97 119.42 1qgh h TYR 113 Ca -0.00 0.03 0.14 0.00 2.00 0.00 0.00 58.73 60.90 1qgh h TYR 113 Cb 1.15 -0.41 -0.09 0.00 2.00 0.00 0.00 36.73 39.39 1qgh h TYR 113 CO 0.05 0.70 0.59 -0.22 -0.00 0.00 0.00 178.16 179.28 1qgh h LYS 114 N 1.26 0.85 -0.29 4.88 1.63 -0.78 1.28 116.57 125.40 1qgh h LYS 114 Ca 0.40 -0.05 -0.05 0.00 -0.85 0.00 0.00 60.65 60.10 1qgh h LYS 114 Cb 0.01 -0.19 -0.01 0.00 -0.60 0.00 0.00 32.23 31.44 1qgh h LYS 114 CO -0.13 0.56 -0.03 1.96 -3.45 0.00 0.00 179.45 178.36 1qgh h GLN 115 N 0.87 0.53 -0.72 1.90 1.08 -0.84 -1.02 115.11 116.90 1qgh h GLN 115 Ca 0.51 -0.18 -0.03 0.00 -1.45 0.00 0.00 58.65 57.50 1qgh h GLN 115 Cb 0.61 -0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.96 1qgh h GLN 115 CO -0.31 0.70 0.35 0.78 -0.95 0.00 0.00 178.83 179.40 1qgh h GLY 116 N 0.30 1.10 0.75 3.46 0.00 0.43 0.22 103.07 109.34 1qgh h GLY 116 Ca 0.08 -0.53 0.04 0.00 0.00 0.00 0.00 47.33 46.92 1qgh h GLY 116 CO 0.02 0.50 0.21 -2.22 0.00 0.00 0.00 176.54 175.06 1qgh h ILE 117 N 1.02 0.96 -0.35 2.60 2.04 0.21 0.04 117.51 124.03 1qgh h ILE 117 Ca 0.25 -0.15 -0.07 0.00 1.00 0.00 0.00 64.86 65.90 1qgh h ILE 117 Cb 0.10 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 1qgh h ILE 117 CO -0.03 0.08 -0.04 -0.33 0.00 0.00 0.00 178.15 177.83 1qgh h GLU 118 N 0.42 0.65 -0.02 2.37 5.08 -0.23 -2.27 114.58 120.59 1qgh h GLU 118 Ca 0.19 -0.23 0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1qgh h GLU 118 Cb 0.11 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 1qgh h GLU 118 CO -0.14 0.79 -0.11 1.25 -1.00 0.00 0.00 179.01 179.79 1qgh h LEU 119 N 0.45 -0.32 -2.20 1.33 5.85 -0.14 0.48 115.31 120.77 1qgh h LEU 119 Ca 0.10 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 1qgh h LEU 119 Cb 0.52 0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.69 1qgh h LEU 119 CO 0.03 -0.16 -0.06 0.00 -0.34 0.00 0.00 178.44 177.91 1qgh h THR 120 N -0.18 0.37 0.03 1.05 1.03 -0.82 0.23 112.91 114.62 1qgh h THR 120 Ca 0.05 -0.32 -0.00 0.00 -0.01 0.00 0.00 66.41 66.13 1qgh h THR 120 Cb 0.24 1.23 0.00 0.00 -1.07 0.00 0.00 68.15 68.55 1qgh h THR 120 CO -0.12 0.06 -0.02 -0.78 -0.01 0.00 0.00 175.52 174.65 1qgh h ASP 121 N 0.00 -0.04 -0.81 0.00 1.82 -0.82 0.12 116.42 116.69 1qgh h ASP 121 Ca -0.00 -0.53 0.17 0.00 -0.39 0.00 0.00 57.03 56.28 1qgh h ASP 121 Cb 0.22 0.01 -0.05 0.00 0.68 0.00 0.00 39.33 40.19 1qgh h ASP 121 CO 0.01 0.70 0.54 0.50 -1.61 0.00 0.00 179.24 179.38 1qgh h LYS 122 N -0.97 0.38 0.00 0.28 3.64 0.13 0.17 116.57 120.20 1qgh h LYS 122 Ca -0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1qgh h LYS 122 Cb 0.56 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1qgh h LYS 122 CO 0.01 0.25 -0.26 0.93 -2.27 0.00 0.00 179.45 178.11 1qgh h GLU 123 N 0.39 0.00 -0.11 1.90 5.08 -0.71 -3.48 114.58 117.65 1qgh h GLU 123 Ca 0.41 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.72 1qgh h GLU 123 Cb 1.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.23 1qgh h GLU 123 CO -0.13 0.00 -0.04 0.41 -1.00 0.00 0.00 179.01 178.24 1qgh n GLY 124 N 1.21 0.56 3.52 -3.84 0.00 0.60 -4.97 105.19 102.27 1qgh n GLY 124 Ca 0.04 -0.91 -0.43 0.00 0.00 0.00 0.00 46.02 44.72 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 -2.91 6.70 0.23 1.61 -1.08 0.35 -4.83 116.67 116.74 1qgh s ASP 125 Ca 0.00 -2.07 -0.08 0.00 -0.52 0.00 0.00 52.55 49.88 1qgh s ASP 125 Cb 0.00 -2.51 0.20 0.00 -1.46 0.00 0.00 42.92 39.15 1qgh s ASP 125 CO 0.00 -1.21 1.89 0.44 0.52 0.00 0.00 175.17 176.82 1qgh h ASP 126 N 8.62 1.01 0.35 -0.34 3.32 -1.94 -1.40 116.42 126.05 1qgh h ASP 126 Ca 0.27 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.27 1qgh h ASP 126 Cb 0.96 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.24 1qgh h ASP 126 CO 1.33 0.75 -0.26 0.58 -1.72 0.00 0.00 179.24 179.93 1qgh h VAL 127 N 1.18 0.46 -0.70 -1.35 2.07 -1.95 -1.17 116.25 114.79 1qgh h VAL 127 Ca 0.32 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.83 1qgh h VAL 127 Cb -0.11 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.09 1qgh h VAL 127 CO -0.07 0.00 0.40 0.74 0.02 0.00 0.00 177.57 178.66 1qgh h THR 128 N -0.61 1.20 -0.25 2.57 2.02 -1.91 -1.98 112.91 113.95 1qgh h THR 128 Ca -0.03 -0.47 0.05 0.00 0.77 0.00 0.00 66.41 66.73 1qgh h THR 128 Cb 0.52 0.24 -0.05 0.00 -1.74 0.00 0.00 68.15 67.12 1qgh h THR 128 CO 0.01 0.22 -0.07 -1.13 0.37 0.00 0.00 175.52 174.91 1qgh h ASN 129 N 0.96 -0.27 0.16 4.18 -0.73 -0.81 -0.93 115.58 118.15 1qgh h ASN 129 Ca 0.25 0.08 -0.07 0.00 1.87 0.00 0.00 56.30 58.42 1qgh h ASN 129 Cb -0.01 0.17 -0.01 0.00 0.27 0.00 0.00 38.32 38.74 1qgh h ASN 129 CO -0.04 -0.10 -0.27 0.44 -0.37 0.00 0.00 177.43 177.08 1qgh h ASP 130 N -0.02 0.19 0.18 1.15 5.19 -0.57 -1.93 116.42 120.62 1qgh h ASP 130 Ca 0.13 -0.06 -0.01 0.00 -0.62 0.00 0.00 57.03 56.47 1qgh h ASP 130 Cb 0.21 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 39.67 1qgh h ASP 130 CO -0.27 0.47 -0.08 0.24 -3.12 0.00 0.00 179.24 176.47 1qgh h MET 131 N 0.18 -0.23 -0.86 3.56 2.86 -0.50 -1.67 114.93 118.26 1qgh h MET 131 Ca 0.03 0.02 0.09 0.00 -2.06 0.00 0.00 59.70 57.77 1qgh h MET 131 Cb 0.58 0.05 -0.07 0.00 0.06 0.00 0.00 31.60 32.22 1qgh h MET 131 CO 0.04 0.01 0.51 -0.07 1.06 0.00 0.00 176.91 178.46 1qgh h LEU 132 N -0.44 0.76 -0.52 1.22 4.07 -1.18 -0.78 115.31 118.44 1qgh h LEU 132 Ca -0.02 0.04 0.00 0.00 0.08 0.00 0.00 57.88 57.98 1qgh h LEU 132 Cb 0.34 -0.12 -0.03 0.00 1.08 0.00 0.00 40.66 41.94 1qgh h LEU 132 CO 0.04 0.45 0.34 0.40 -1.08 0.00 0.00 178.44 178.59 1qgh h ILE 133 N 0.88 1.14 -0.35 1.22 2.04 -1.00 0.91 117.51 122.34 1qgh h ILE 133 Ca 0.40 -0.26 -0.00 0.00 1.00 0.00 0.00 64.86 66.00 1qgh h ILE 133 Cb 0.31 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 1qgh h ILE 133 CO -0.22 0.13 0.20 0.00 0.00 0.00 0.00 178.15 178.26 1qgh h ALA 134 N 1.19 0.45 -0.78 1.87 0.00 -0.50 0.71 119.26 122.19 1qgh h ALA 134 Ca 0.19 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1qgh h ALA 134 Cb -0.07 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 1qgh h ALA 134 CO -0.04 -0.04 0.43 0.74 0.00 0.00 0.00 179.25 180.34 1qgh h PHE 135 N 0.45 1.07 -0.88 0.00 0.04 -0.76 -2.31 116.94 114.55 1qgh h PHE 135 Ca 0.13 -0.02 0.04 0.00 2.80 0.00 0.00 57.97 60.92 1qgh h PHE 135 Cb 0.03 -0.34 -0.06 0.00 2.20 0.00 0.00 35.95 37.79 1qgh h PHE 135 CO -0.03 0.74 0.56 -0.22 -0.60 0.00 0.00 178.31 178.76 1qgh h LYS 136 N 1.08 1.03 -0.75 1.51 3.64 0.38 -0.60 116.57 122.87 1qgh h LYS 136 Ca 0.27 -0.06 0.11 0.00 -1.27 0.00 0.00 60.65 59.70 1qgh h LYS 136 Cb 0.03 -0.23 -0.08 0.00 -0.41 0.00 0.00 32.23 31.54 1qgh h LYS 136 CO -0.04 0.68 0.37 0.00 -2.27 0.00 0.00 179.45 178.19 1qgh h ALA 137 N 1.38 1.05 -0.19 5.00 0.00 -0.35 0.07 119.26 126.22 1qgh h ALA 137 Ca 0.36 0.07 -0.15 0.00 0.00 0.00 0.00 54.91 55.19 1qgh h ALA 137 Cb 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1qgh h ALA 137 CO -0.14 -0.07 -0.45 1.03 0.00 0.00 0.00 179.25 179.63 1qgh h SER 138 N 0.60 0.72 -0.66 0.00 0.87 -1.03 -2.77 113.55 111.28 1qgh h SER 138 Ca 0.38 -0.57 0.08 0.00 -1.23 0.00 0.00 61.79 60.45 1qgh h SER 138 Cb 0.45 -0.21 -0.06 0.00 -0.44 0.00 0.00 62.40 62.13 1qgh h SER 138 CO -0.30 1.16 0.32 0.40 -0.53 0.00 0.00 176.83 177.88 1qgh h ILE 139 N 0.31 0.87 -0.88 2.23 2.04 -0.39 0.12 117.51 121.82 1qgh h ILE 139 Ca -0.00 -0.20 0.08 0.00 1.00 0.00 0.00 64.86 65.74 1qgh h ILE 139 Cb 1.06 0.25 -0.07 0.00 -0.74 0.00 0.00 36.82 37.32 1qgh h ILE 139 CO 0.10 0.10 0.54 0.44 0.00 0.00 0.00 178.15 179.33 1qgh h ASP 140 N 0.57 0.83 -0.36 1.72 3.32 -0.92 0.45 116.42 122.02 1qgh h ASP 140 Ca 0.32 0.03 -0.07 0.00 0.02 0.00 0.00 57.03 57.32 1qgh h ASP 140 Cb 0.30 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 1qgh h ASP 140 CO -0.24 0.50 -0.07 0.50 -1.72 0.00 0.00 179.24 178.21 1qgh h LYS 141 N 0.95 0.68 -0.51 3.56 3.64 -1.05 -0.32 116.57 123.51 1qgh h LYS 141 Ca 0.40 -0.25 0.02 0.00 -1.27 0.00 0.00 60.65 59.55 1qgh h LYS 141 Cb 0.26 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.01 1qgh h LYS 141 CO -0.21 0.83 0.31 0.45 -2.27 0.00 0.00 179.45 178.56 1qgh h HIS 142 N 0.47 0.59 -0.62 1.91 3.86 0.27 -1.12 115.15 120.51 1qgh h HIS 142 Ca 0.09 0.02 0.03 0.00 -1.16 0.00 0.00 60.37 59.35 1qgh h HIS 142 Cb 0.57 -0.19 -0.04 0.00 1.06 0.00 0.00 27.41 28.80 1qgh h HIS 142 CO 0.05 0.34 0.37 0.82 0.86 0.00 0.00 177.93 180.37 1qgh h ILE 143 N 0.63 1.05 -0.26 2.45 2.04 0.22 0.64 117.51 124.28 1qgh h ILE 143 Ca 0.20 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.82 1qgh h ILE 143 Cb 0.00 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 36.34 1qgh h ILE 143 CO -0.08 0.13 0.17 -0.25 0.00 0.00 0.00 178.15 178.12 1qgh h TRP 144 N 0.72 0.33 -0.37 1.37 7.01 -0.25 -2.08 115.95 122.68 1qgh h TRP 144 Ca 0.25 0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.24 1qgh h TRP 144 Cb 0.05 -0.11 -0.02 0.00 -2.10 0.00 0.00 29.16 26.99 1qgh h TRP 144 CO -0.06 0.21 0.14 0.52 -2.79 0.00 0.00 178.44 176.45 1qgh h MET 145 N 0.35 0.55 -0.06 2.65 2.86 -0.56 -1.07 114.93 119.66 1qgh h MET 145 Ca 0.10 -0.11 -0.12 0.00 -2.06 0.00 0.00 59.70 57.51 1qgh h MET 145 Cb -0.04 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.52 1qgh h MET 145 CO -0.02 0.55 -0.50 0.74 1.06 0.00 0.00 176.91 178.74 1qgh h PHE 146 N 0.44 0.18 -0.40 -0.22 0.04 -0.88 -1.30 116.94 114.81 1qgh h PHE 146 Ca 0.12 -0.06 -0.07 0.00 2.80 0.00 0.00 57.97 60.77 1qgh h PHE 146 Cb 0.21 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.31 1qgh h PHE 146 CO 0.00 0.62 -0.02 0.87 -0.60 0.00 0.00 178.31 179.19 1qgh h LYS 147 N 0.12 0.71 -0.85 1.51 1.57 -1.25 -1.36 116.57 117.03 1qgh h LYS 147 Ca 0.00 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 1qgh h LYS 147 Cb 0.92 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 33.13 1qgh h LYS 147 CO 0.07 0.81 0.54 0.00 -0.57 0.00 0.00 179.45 180.30 1qgh h ALA 148 N 0.88 1.35 -0.89 3.86 0.00 -0.89 0.45 119.26 124.01 1qgh h ALA 148 Ca 0.11 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1qgh h ALA 148 Cb 0.50 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1qgh h ALA 148 CO 0.02 0.58 0.58 0.35 0.00 0.00 0.00 179.25 180.78 1qgh h PHE 149 N 1.16 1.14 -0.03 0.00 3.57 -0.71 -0.36 116.94 121.71 1qgh h PHE 149 Ca 0.31 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.83 1qgh h PHE 149 Cb -0.10 -0.38 0.00 0.00 2.79 0.00 0.00 35.95 38.26 1qgh h PHE 149 CO 0.00 0.73 0.00 1.28 -2.23 0.00 0.00 178.31 178.09 1qgh n LEU 150 N -4.39 0.54 0.00 0.59 4.77 -0.04 -4.90 117.00 113.57 1qgh n LEU 150 Ca 0.10 -0.20 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 1qgh n LEU 150 Cb 0.03 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 1qgh n LEU 150 CO 0.37 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 1qgh n GLY 151 N 0.99 0.51 3.80 -0.72 0.00 -0.15 -5.04 105.19 104.58 1qgh n GLY 151 Ca 0.19 -0.13 -0.22 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.28 2.68 0.64 1.61 -0.14 -0.13 -4.97 119.74 119.15 1qgh s LYS 152 Ca 0.00 -1.28 -0.10 0.00 -1.36 0.00 0.00 55.97 53.23 1qgh s LYS 152 Cb 0.00 -2.41 -0.02 0.00 -1.68 0.00 0.00 37.83 33.72 1qgh s LYS 152 CO 0.00 0.23 1.03 0.00 -0.76 0.00 0.00 175.35 175.84 1qgh s ALA 153 N -2.27 3.07 0.09 5.17 0.00 -1.25 -3.33 121.76 123.23 1qgh s ALA 153 Ca 0.37 -0.25 -0.22 0.00 0.00 0.00 0.00 51.96 51.86 1qgh s ALA 153 Cb -0.06 -2.99 -0.14 0.00 0.00 0.00 0.00 23.12 19.93 1qgh s ALA 153 CO 0.25 -0.82 1.73 -1.35 0.00 0.00 0.00 175.76 175.56 1qgh h PRO 154 N -0.38 0.06 -0.95 0.00 0.11 -1.88 -2.06 132.00 126.89 1qgh h PRO 154 Ca -0.45 -0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.51 1qgh h PRO 154 Cb 1.22 -0.01 -0.09 0.00 0.11 0.00 0.00 31.00 32.22 1qgh h PRO 154 CO 0.63 0.06 0.19 1.28 -0.21 0.00 0.00 178.00 179.95 1qgh n LEU 155 N -5.05 4.07 0.00 2.35 4.77 -1.26 -4.88 117.00 117.00 1qgh n LEU 155 Ca -0.06 -2.11 0.00 0.00 -0.03 0.00 0.00 56.01 53.81 1qgh n LEU 155 Cb 0.04 -0.62 0.00 0.00 -2.33 0.00 0.00 43.42 40.51 1qgh n LEU 155 CO 0.33 0.63 0.00 -0.62 -1.33 0.00 0.00 177.39 176.40