#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qg3 h GLU 4 N 0.00 0.79 -0.25 5.87 4.39 -1.98 0.11 114.58 123.51 2qg3 h GLU 4 Ca 0.00 -0.27 -0.20 0.00 0.34 0.00 0.00 59.36 59.24 2qg3 h GLU 4 Cb 0.00 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.59 2qg3 h GLU 4 CO 0.00 0.87 -0.62 1.96 -1.16 0.00 0.00 179.01 180.06 2qg3 h GLN 5 N 0.71 0.84 -0.44 2.33 7.50 -2.05 -1.52 115.11 122.49 2qg3 h GLN 5 Ca 0.12 -0.58 -0.01 0.00 0.50 0.00 0.00 58.65 58.68 2qg3 h GLN 5 Cb 0.61 0.09 -0.02 0.00 0.05 0.00 0.00 27.48 28.20 2qg3 h GLN 5 CO 0.04 1.21 0.24 0.35 -1.50 0.00 0.00 178.83 179.17 2qg3 h PHE 6 N 0.63 0.60 -0.57 2.96 3.57 -1.90 -2.39 116.94 119.83 2qg3 h PHE 6 Ca -0.01 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.38 2qg3 h PHE 6 Cb 1.23 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.76 2qg3 h PHE 6 CO 0.08 0.45 -0.03 -0.22 -2.23 0.00 0.00 178.31 176.35 2qg3 h LYS 7 N 0.57 1.03 -0.67 1.11 3.64 -0.77 -2.24 116.57 119.22 2qg3 h LYS 7 Ca 0.15 -0.34 0.06 0.00 -1.27 0.00 0.00 60.65 59.25 2qg3 h LYS 7 Cb 0.05 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 31.73 2qg3 h LYS 7 CO -0.03 1.02 0.38 -0.22 -2.27 0.00 0.00 179.45 178.34 2qg3 h LYS 8 N 0.93 0.69 -0.34 1.90 3.64 -1.12 0.78 116.57 123.05 2qg3 h LYS 8 Ca 0.16 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.45 2qg3 h LYS 8 Cb 0.58 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 2qg3 h LYS 8 CO 0.03 0.45 0.03 1.49 -2.27 0.00 0.00 179.45 179.19 2qg3 h GLU 9 N 0.71 0.58 -0.17 1.90 4.81 -1.28 -1.51 114.58 119.62 2qg3 h GLU 9 Ca 0.30 -0.17 -0.16 0.00 -0.13 0.00 0.00 59.36 59.20 2qg3 h GLU 9 Cb 0.17 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 2qg3 h GLU 9 CO -0.17 0.68 -0.56 0.87 -0.73 0.00 0.00 179.01 179.10 2qg3 h LYS 10 N 0.40 0.52 -0.19 1.92 1.79 -1.12 -2.82 116.57 117.07 2qg3 h LYS 10 Ca 0.10 -0.34 -0.13 0.00 -2.18 0.00 0.00 60.65 58.10 2qg3 h LYS 10 Cb 0.40 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.08 2qg3 h LYS 10 CO 0.01 0.94 -0.44 1.25 -1.08 0.00 0.00 179.45 180.14 2qg3 h LEU 11 N 0.40 0.48 -0.78 2.94 5.85 -0.83 -1.75 115.31 121.61 2qg3 h LEU 11 Ca 0.00 -0.22 0.01 0.00 0.84 0.00 0.00 57.88 58.52 2qg3 h LEU 11 Cb 1.10 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.96 2qg3 h LEU 11 CO 0.10 0.86 0.52 -0.09 -0.34 0.00 0.00 178.44 179.49 2qg3 h ARG 12 N 0.37 1.02 -0.62 1.25 2.43 -1.22 0.11 114.38 117.71 2qg3 h ARG 12 Ca 0.03 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 2qg3 h ARG 12 Cb 0.92 -0.23 -0.03 0.00 -0.42 0.00 0.00 29.97 30.21 2qg3 h ARG 12 CO 0.08 0.68 0.31 0.78 -1.51 0.00 0.00 179.97 180.30 2qg3 h GLY 13 N 1.05 0.94 1.11 2.80 0.00 -1.18 -1.29 103.07 106.50 2qg3 h GLY 13 Ca 0.29 -0.43 -0.21 0.00 0.00 0.00 0.00 47.33 46.97 2qg3 h GLY 13 CO -0.07 0.41 -0.77 -1.82 0.00 0.00 0.00 176.54 174.30 2qg3 h TYR 14 N 0.88 0.99 -0.61 5.60 3.20 -0.87 -2.51 116.97 123.65 2qg3 h TYR 14 Ca 0.22 -0.46 -0.08 0.00 3.14 0.00 0.00 58.73 61.55 2qg3 h TYR 14 Cb 0.08 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.18 2qg3 h TYR 14 CO 0.01 1.28 0.06 -0.07 -1.64 0.00 0.00 178.16 177.81 2qg3 h LEU 15 N 0.41 0.97 -0.67 2.82 3.38 -0.66 -1.25 115.31 120.31 2qg3 h LEU 15 Ca -0.06 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.65 2qg3 h LEU 15 Cb 1.41 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.87 2qg3 h LEU 15 CO 0.16 0.99 0.34 -0.33 0.09 0.00 0.00 178.44 179.69 2qg3 h GLU 16 N 0.94 0.95 -0.79 1.13 5.08 -1.23 -1.04 114.58 119.63 2qg3 h GLU 16 Ca 0.18 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 2qg3 h GLU 16 Cb 0.46 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.49 2qg3 h GLU 16 CO 0.02 0.74 0.41 0.00 -1.00 0.00 0.00 179.01 179.18 2qg3 h ALA 17 N 1.16 1.01 -0.27 3.43 0.00 -1.11 -0.04 119.26 123.45 2qg3 h ALA 17 Ca 0.23 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.03 2qg3 h ALA 17 Cb 0.08 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 2qg3 h ALA 17 CO -0.03 0.54 0.12 0.87 0.00 0.00 0.00 179.25 180.75 2qg3 h LYS 18 N 1.10 0.25 -0.91 0.00 1.57 -0.80 0.33 116.57 118.10 2qg3 h LYS 18 Ca 0.27 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 59.04 2qg3 h LYS 18 Cb 0.07 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.28 2qg3 h LYS 18 CO -0.04 0.16 0.56 -0.91 -0.57 0.00 0.00 179.45 178.65 2qg3 h ASN 19 N 0.25 1.09 0.00 0.86 2.35 -0.67 -0.64 115.58 118.82 2qg3 h ASN 19 Ca 0.11 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 2qg3 h ASN 19 Cb 0.05 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.15 2qg3 h ASN 19 CO -0.09 0.83 0.00 0.00 -1.65 0.00 0.00 177.43 176.52 2qg3 n GLN 20 N -4.36 0.92 -2.57 0.81 6.02 -0.07 -4.90 117.38 113.23 2qg3 n GLN 20 Ca 0.10 0.00 -0.17 0.00 -0.01 0.00 0.00 57.00 56.92 2qg3 n GLN 20 Cb 0.05 -1.29 -0.00 0.00 1.02 0.00 0.00 30.24 30.02 2qg3 n GLN 20 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 177.06 178.94 2qg3 n ARG 21 N -0.79 -2.44 -1.57 -1.09 -4.01 -0.25 -4.89 116.66 101.62 2qg3 n ARG 21 Ca 0.13 0.77 -0.35 0.00 -1.04 0.00 0.00 57.85 57.35 2qg3 n ARG 21 Cb 0.06 -5.43 0.06 0.00 -3.04 0.00 0.00 32.46 24.11 2qg3 n ARG 21 CO 0.00 0.00 0.00 1.63 -3.04 0.00 0.00 177.63 176.22 2qg3 n LYS 22 N -3.09 2.79 -4.46 2.89 5.02 0.11 -4.90 118.16 116.52 2qg3 n LYS 22 Ca -0.17 -3.45 -0.22 0.00 -2.02 0.00 0.00 58.31 52.45 2qg3 n LYS 22 Cb 0.63 -2.28 -0.16 0.00 -0.02 0.00 0.00 35.03 33.20 2qg3 n LYS 22 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2qg3 s VAL 23 N -4.90 0.90 -0.17 -0.18 1.01 -1.25 -4.79 120.40 111.02 2qg3 s VAL 23 Ca 0.60 -0.40 -0.34 0.00 0.00 0.00 0.00 61.98 61.85 2qg3 s VAL 23 Cb 0.48 -0.82 -0.11 0.00 0.00 0.00 0.00 36.38 35.94 2qg3 s VAL 23 CO -0.12 0.29 2.00 0.47 0.00 0.00 0.00 175.10 177.73 2qg3 n ASP 24 N 3.50 3.14 0.28 3.32 8.00 -1.26 -4.79 116.55 128.73 2qg3 n ASP 24 Ca -0.20 0.74 0.13 0.00 0.71 0.00 0.00 54.79 56.17 2qg3 n ASP 24 Cb 0.53 -1.37 0.80 0.00 -0.02 0.00 0.00 41.12 41.06 2qg3 n ASP 24 CO 0.00 0.00 0.00 2.19 -0.39 0.00 0.00 177.20 179.00 2qg3 h PHE 25 N 10.78 0.00 -0.00 1.24 -0.00 -1.98 -1.67 116.94 125.30 2qg3 h PHE 25 Ca -0.43 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.54 2qg3 h PHE 25 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.23 2qg3 h PHE 25 CO 0.91 0.06 -0.03 -0.40 -0.00 0.00 0.00 178.31 178.85 2qg3 n ASP 26 N -3.83 0.07 0.00 -0.68 5.75 -1.26 -3.51 116.55 113.09 2qg3 n ASP 26 Ca -0.03 -0.13 0.00 0.00 -0.01 0.00 0.00 54.79 54.63 2qg3 n ASP 26 Cb 0.15 -0.27 0.00 0.00 -1.03 0.00 0.00 41.12 39.97 2qg3 n ASP 26 CO 0.00 0.00 0.00 2.30 -0.11 0.00 0.00 177.20 179.39 2qg3 n ILE 27 N -1.27 0.83 -0.27 2.12 -5.35 -0.64 -4.67 119.36 110.10 2qg3 n ILE 27 Ca 0.13 -0.89 0.09 0.00 -0.27 0.00 0.00 62.75 61.81 2qg3 n ILE 27 Cb 0.26 0.59 0.23 0.00 -1.74 0.00 0.00 39.64 38.98 2qg3 n ILE 27 CO 0.00 0.00 0.00 0.58 -1.76 0.00 0.00 176.55 175.37 2qg3 h VAL 28 N 0.11 0.45 -0.40 7.28 2.07 -1.58 -0.25 116.25 123.94 2qg3 h VAL 28 Ca 0.00 -0.10 -0.04 0.00 0.82 0.00 0.00 66.70 67.38 2qg3 h VAL 28 Cb 0.45 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 2qg3 h VAL 28 CO 0.00 0.05 0.09 -0.08 0.02 0.00 0.00 177.57 177.66 2qg3 h GLU 29 N 0.28 0.64 -0.36 1.57 4.81 -1.83 0.15 114.58 119.84 2qg3 h GLU 29 Ca 0.48 -0.15 0.01 0.00 -0.13 0.00 0.00 59.36 59.56 2qg3 h GLU 29 Cb 0.87 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.15 2qg3 h GLU 29 CO -0.55 0.66 0.22 1.25 -0.73 0.00 0.00 179.01 179.86 2qg3 h LEU 30 N 0.50 0.37 -0.53 1.64 5.85 -1.70 -1.79 115.31 119.65 2qg3 h LEU 30 Ca 0.12 -0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.68 2qg3 h LEU 30 Cb 0.31 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 2qg3 h LEU 30 CO 0.00 0.27 -0.55 -0.07 -0.34 0.00 0.00 178.44 177.75 2qg3 h LEU 31 N 0.45 0.60 -0.44 2.25 3.38 -0.92 -0.16 115.31 120.48 2qg3 h LEU 31 Ca 0.14 -0.32 0.04 0.00 0.09 0.00 0.00 57.88 57.83 2qg3 h LEU 31 Cb -0.02 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.52 2qg3 h LEU 31 CO -0.05 1.03 0.20 0.44 0.09 0.00 0.00 178.44 180.15 2qg3 h ASP 32 N 0.41 0.28 -0.05 -0.43 3.32 -0.95 -1.31 116.42 117.69 2qg3 h ASP 32 Ca 0.01 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 2qg3 h ASP 32 Cb 1.09 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 40.62 2qg3 h ASP 32 CO 0.10 0.20 0.02 0.25 -1.72 0.00 0.00 179.24 178.10 2qg3 h LEU 33 N 0.41 0.06 -0.55 1.55 5.85 -1.05 -1.61 115.31 119.97 2qg3 h LEU 33 Ca 0.19 -0.13 0.05 0.00 0.84 0.00 0.00 57.88 58.84 2qg3 h LEU 33 Cb 0.12 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.09 2qg3 h LEU 33 CO -0.15 0.17 0.28 0.40 -0.34 0.00 0.00 178.44 178.80 2qg3 h ILE 34 N -0.05 0.93 0.00 4.05 2.04 -0.91 -1.41 117.51 122.16 2qg3 h ILE 34 Ca 0.02 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.70 2qg3 h ILE 34 Cb 0.13 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 36.57 2qg3 h ILE 34 CO -0.00 0.10 0.00 0.59 0.00 0.00 0.00 178.15 178.83 2qg3 n ASN 35 N -4.88 0.45 0.10 1.72 3.02 -0.51 -2.12 115.26 113.04 2qg3 n ASN 35 Ca 0.06 0.60 0.12 0.00 -0.03 0.00 0.00 54.58 55.33 2qg3 n ASN 35 Cb 0.16 -0.70 0.45 0.00 -0.61 0.00 0.00 39.78 39.08 2qg3 n ASN 35 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2qg3 n SER 36 N -1.98 0.66 -4.73 6.41 3.41 -0.53 -4.76 113.62 112.10 2qg3 n SER 36 Ca 0.03 0.60 -0.41 0.00 -0.26 0.00 0.00 58.87 58.84 2qg3 n SER 36 Cb 0.24 -0.77 -0.05 0.00 -0.26 0.00 0.00 64.21 63.37 2qg3 n SER 36 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2qg3 s PHE 37 N -3.17 3.84 0.40 7.33 0.08 -0.90 -4.93 117.98 120.62 2qg3 s PHE 37 Ca 0.08 1.82 0.07 0.00 0.12 0.00 0.00 56.93 59.02 2qg3 s PHE 37 Cb 0.11 -3.05 0.84 0.00 -0.57 0.00 0.00 43.02 40.35 2qg3 s PHE 37 CO 0.50 0.22 2.02 -0.44 -0.10 0.00 0.00 175.22 177.41 2qg3 h ASP 38 N 5.23 0.52 -0.60 1.36 3.32 -1.88 -3.04 116.42 121.33 2qg3 h ASP 38 Ca -0.43 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.61 2qg3 h ASP 38 Cb 1.21 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.64 2qg3 h ASP 38 CO 0.71 0.36 0.00 0.47 -1.72 0.00 0.00 179.24 179.06 2qg3 n ASP 39 N -4.47 4.91 -4.31 6.45 8.00 -1.26 -4.90 116.55 120.97 2qg3 n ASP 39 Ca 0.06 -2.59 -0.26 0.00 0.71 0.00 0.00 54.79 52.71 2qg3 n ASP 39 Cb 0.15 -0.59 -0.13 0.00 -0.02 0.00 0.00 41.12 40.52 2qg3 n ASP 39 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2qg3 s PHE 40 N -2.11 1.97 -0.08 1.24 0.08 -1.15 -1.11 117.98 116.83 2qg3 s PHE 40 Ca 0.51 -0.40 -0.04 0.00 0.12 0.00 0.00 56.93 57.12 2qg3 s PHE 40 Cb 0.35 -1.10 0.04 0.00 -0.57 0.00 0.00 43.02 41.73 2qg3 s PHE 40 CO 0.21 0.21 0.17 0.54 -0.10 0.00 0.00 175.22 176.26 2qg3 s VAL 41 N -1.04 -0.04 0.46 -0.44 0.11 -0.32 -4.69 120.40 114.44 2qg3 s VAL 41 Ca 0.09 0.14 -0.24 0.00 -2.93 0.00 0.00 61.98 59.05 2qg3 s VAL 41 Cb -0.10 -0.28 -0.07 0.00 -1.53 0.00 0.00 36.38 34.40 2qg3 s VAL 41 CO 0.04 0.06 1.24 0.42 -3.33 0.00 0.00 175.10 173.53 2qg3 s THR 42 N 1.03 2.75 -0.12 5.04 -4.23 -1.26 -0.46 115.64 118.40 2qg3 s THR 42 Ca -0.08 0.60 0.04 0.00 -1.18 0.00 0.00 61.69 61.07 2qg3 s THR 42 Cb -0.10 -3.32 -0.10 0.00 1.34 0.00 0.00 72.50 70.32 2qg3 s THR 42 CO -0.06 0.02 -0.06 0.18 -0.54 0.00 0.00 174.62 174.17 2qg3 n LEU 43 N -0.41 1.87 -3.56 4.79 4.77 0.56 -4.78 117.00 120.24 2qg3 n LEU 43 Ca 0.07 -0.04 -0.06 0.00 -0.03 0.00 0.00 56.01 55.94 2qg3 n LEU 43 Cb 0.46 -0.20 -0.02 0.00 -2.33 0.00 0.00 43.42 41.34 2qg3 n LEU 43 CO 0.51 0.55 0.82 -0.94 -1.33 0.00 0.00 177.39 177.00 2qg3 s SER 44 N -4.91 -0.26 -0.14 -1.43 1.04 -1.20 -5.00 113.70 101.80 2qg3 s SER 44 Ca -0.13 -0.04 -0.30 0.00 0.48 0.00 0.00 55.95 55.96 2qg3 s SER 44 Cb 0.04 0.30 0.13 0.00 0.10 0.00 0.00 66.02 66.59 2qg3 s SER 44 CO 0.35 -0.49 1.00 -0.94 0.98 0.00 0.00 173.24 174.14 2qg3 s SER 45 N -2.44 -0.35 -0.02 7.02 1.04 -1.26 -1.20 113.70 116.49 2qg3 s SER 45 Ca 0.08 0.32 0.00 0.00 0.48 0.00 0.00 55.95 56.82 2qg3 s SER 45 Cb -0.01 0.30 0.03 0.00 0.10 0.00 0.00 66.02 66.44 2qg3 s SER 45 CO -0.06 -0.37 0.02 0.00 0.98 0.00 0.00 173.24 173.81 2qg3 n SER 47 N 4.14 0.77 0.00 0.00 3.41 -1.26 -1.28 113.62 119.40 2qg3 n SER 47 Ca -0.27 -1.78 0.00 0.00 -0.26 0.00 0.00 58.87 56.56 2qg3 n SER 47 Cb 0.50 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 2qg3 n SER 47 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qg3 n GLY 48 N 0.84 2.33 3.49 5.00 0.00 -1.26 -4.39 105.19 111.20 2qg3 n GLY 48 Ca 0.10 -1.62 -0.10 0.00 0.00 0.00 0.00 46.02 44.40 2qg3 n GLY 48 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2qg3 s ARG 49 N -4.70 1.34 -0.04 1.61 1.70 -0.18 -4.63 118.95 114.04 2qg3 s ARG 49 Ca 0.00 -0.76 0.02 0.00 -0.47 0.00 0.00 55.73 54.52 2qg3 s ARG 49 Cb 0.00 0.54 -0.03 0.00 -0.57 0.00 0.00 34.95 34.88 2qg3 s ARG 49 CO 0.00 -0.57 -0.06 0.42 -1.08 0.00 0.00 175.30 174.01 2qg3 s ILE 50 N -3.84 3.72 0.08 4.99 1.01 0.31 -0.28 121.20 127.19 2qg3 s ILE 50 Ca 0.06 -0.59 -0.05 0.00 0.00 0.00 0.00 60.65 60.07 2qg3 s ILE 50 Cb -0.01 -2.56 -0.02 0.00 0.01 0.00 0.00 42.46 39.88 2qg3 s ILE 50 CO -0.06 0.51 0.10 0.00 0.00 0.00 0.00 174.94 175.49 2qg3 s ALA 51 N -0.90 0.13 -0.15 9.38 0.00 0.23 -0.14 121.76 130.31 2qg3 s ALA 51 Ca 0.15 -0.91 0.02 0.00 0.00 0.00 0.00 51.96 51.22 2qg3 s ALA 51 Cb -0.11 0.43 0.01 0.00 0.00 0.00 0.00 23.12 23.45 2qg3 s ALA 51 CO 0.04 -0.46 -0.20 0.08 0.00 0.00 0.00 175.76 175.22 2qg3 s VAL 52 N -3.90 1.99 -0.07 0.00 1.01 0.12 -1.24 120.40 118.31 2qg3 s VAL 52 Ca 0.07 -0.92 0.04 0.00 0.00 0.00 0.00 61.98 61.17 2qg3 s VAL 52 Cb 0.06 -1.78 -0.00 0.00 0.00 0.00 0.00 36.38 34.66 2qg3 s VAL 52 CO -0.10 0.53 -0.20 -0.69 0.00 0.00 0.00 175.10 174.65 2qg3 s VAL 53 N 1.03 1.71 -0.31 2.92 1.01 -0.68 -0.27 120.40 125.82 2qg3 s VAL 53 Ca -0.02 -0.84 -0.23 0.00 0.00 0.00 0.00 61.98 60.88 2qg3 s VAL 53 Cb -0.14 -1.48 0.00 0.00 0.00 0.00 0.00 36.38 34.76 2qg3 s VAL 53 CO -0.06 0.48 0.79 -0.62 0.00 0.00 0.00 175.10 175.69 2qg3 s ASP 54 N 0.23 6.66 0.02 3.32 2.15 0.12 -1.14 116.67 128.03 2qg3 s ASP 54 Ca -0.11 0.65 0.04 0.00 0.43 0.00 0.00 52.55 53.55 2qg3 s ASP 54 Cb -0.15 -2.41 -0.02 0.00 -0.30 0.00 0.00 42.92 40.05 2qg3 s ASP 54 CO 0.05 -0.63 -0.11 -0.76 -0.17 0.00 0.00 175.17 173.55 2qg3 s LEU 55 N 2.98 2.12 -0.04 -1.34 1.43 0.75 -1.62 118.68 122.95 2qg3 s LEU 55 Ca 0.32 -0.35 -0.25 0.00 -1.03 0.00 0.00 54.13 52.82 2qg3 s LEU 55 Cb -0.14 -0.47 -0.21 0.00 0.03 0.00 0.00 46.19 45.40 2qg3 s LEU 55 CO 0.13 0.02 1.13 -0.08 0.23 0.00 0.00 176.35 177.78 2qg3 h GLU 56 N 5.27 0.09 -3.48 1.70 4.81 -1.83 -1.71 114.58 119.43 2qg3 h GLU 56 Ca -0.34 -0.07 -0.12 0.00 -0.13 0.00 0.00 59.36 58.69 2qg3 h GLU 56 Cb 1.18 0.01 -0.19 0.00 0.63 0.00 0.00 28.75 30.39 2qg3 h GLU 56 CO 0.46 0.72 -0.41 -1.59 -0.73 0.00 0.00 179.01 177.46 2qg3 s LYS 57 N -3.61 0.62 0.39 1.92 0.00 -1.26 -4.78 119.74 113.02 2qg3 s LYS 57 Ca -0.16 -0.50 -0.28 0.00 0.00 0.00 0.00 55.97 55.03 2qg3 s LYS 57 Cb 0.01 0.26 -0.10 0.00 0.00 0.00 0.00 37.83 38.00 2qg3 s LYS 57 CO 0.70 -0.17 1.46 -1.25 0.00 0.00 0.00 175.35 176.09 2qg3 s PRO 58 N -2.04 4.05 0.00 1.78 0.04 -1.26 -0.91 135.00 136.67 2qg3 s PRO 58 Ca -0.09 2.51 0.00 0.00 0.04 0.00 0.00 61.00 63.46 2qg3 s PRO 58 Cb -0.04 -2.92 0.00 0.00 0.04 0.00 0.00 34.50 31.58 2qg3 s PRO 58 CO -0.01 -0.55 0.00 0.41 0.04 0.00 0.00 177.00 176.89 2qg3 n GLY 59 N 0.51 0.55 3.47 0.56 0.00 -1.26 -4.94 105.19 104.08 2qg3 n GLY 59 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 2qg3 n GLY 59 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2qg3 n ASP 60 N -0.09 4.94 0.20 1.61 2.03 -0.08 -4.76 116.55 120.41 2qg3 n ASP 60 Ca 0.00 -2.93 0.08 0.00 0.52 0.00 0.00 54.79 52.45 2qg3 n ASP 60 Cb 0.04 -1.69 0.60 0.00 -0.72 0.00 0.00 41.12 39.35 2qg3 n ASP 60 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 2qg3 h LYS 61 N 7.30 0.10 -0.07 -0.67 2.10 -1.92 -1.92 116.57 121.48 2qg3 h LYS 61 Ca 0.42 -0.01 -0.05 0.00 -2.00 0.00 0.00 60.65 59.02 2qg3 h LYS 61 Cb 0.85 -0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 32.15 2qg3 h LYS 61 CO 1.44 0.06 -0.17 0.00 -2.00 0.00 0.00 179.45 178.78 2qg3 h ALA 62 N 1.94 1.58 -0.01 0.07 0.00 -1.98 -2.44 119.26 118.43 2qg3 h ALA 62 Ca 0.04 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2qg3 h ALA 62 Cb 0.03 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2qg3 h ALA 62 CO -0.01 0.31 -0.22 -1.13 0.00 0.00 0.00 179.25 178.20 2qg3 n SER 63 N -4.28 1.41 -4.76 0.00 3.41 -0.73 -5.00 113.62 103.67 2qg3 n SER 63 Ca -0.02 -1.19 -0.40 0.00 -0.26 0.00 0.00 58.87 57.00 2qg3 n SER 63 Cb 0.27 0.15 -0.04 0.00 -0.26 0.00 0.00 64.21 64.33 2qg3 n SER 63 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2qg3 s SER 64 N -2.36 7.21 -0.03 4.04 1.04 -0.92 -4.51 113.70 118.17 2qg3 s SER 64 Ca 0.26 2.32 0.00 0.00 0.48 0.00 0.00 55.95 59.02 2qg3 s SER 64 Cb 0.19 -2.63 0.03 0.00 0.10 0.00 0.00 66.02 63.71 2qg3 s SER 64 CO 0.48 -0.19 -0.00 -0.76 0.98 0.00 0.00 173.24 173.75 2qg3 s LEU 65 N -1.50 1.12 -0.12 2.42 1.43 -0.64 -4.98 118.68 116.42 2qg3 s LEU 65 Ca 0.45 -0.03 -0.30 0.00 -1.03 0.00 0.00 54.13 53.22 2qg3 s LEU 65 Cb -0.33 -0.24 -0.02 0.00 0.03 0.00 0.00 46.19 45.64 2qg3 s LEU 65 CO 0.42 -0.11 1.12 -0.36 0.23 0.00 0.00 176.35 177.65 2qg3 s PHE 66 N 1.08 3.28 -0.12 0.29 0.40 -1.26 0.14 117.98 121.78 2qg3 s PHE 66 Ca -0.09 1.36 0.17 0.00 -0.60 0.00 0.00 56.93 57.77 2qg3 s PHE 66 Cb -0.13 -3.33 -0.22 0.00 0.51 0.00 0.00 43.02 39.85 2qg3 s PHE 66 CO -0.02 -0.85 0.50 1.28 0.70 0.00 0.00 175.22 176.83 2qg3 n LEU 67 N 5.54 0.46 -3.58 -0.37 4.77 0.63 -4.92 117.00 119.53 2qg3 n LEU 67 Ca 0.11 0.21 -0.12 0.00 -0.03 0.00 0.00 56.01 56.17 2qg3 n LEU 67 Cb 0.47 0.22 -0.06 0.00 -2.33 0.00 0.00 43.42 41.72 2qg3 n LEU 67 CO 0.54 0.28 0.67 -0.83 -1.33 0.00 0.00 177.39 176.72 2qg3 s GLY 68 N -5.04 -0.34 -0.01 -0.72 0.00 -0.69 -4.76 107.32 95.76 2qg3 s GLY 68 Ca -0.06 1.96 0.01 0.00 0.00 0.00 0.00 44.72 46.62 2qg3 s GLY 68 CO 0.83 1.18 -0.04 0.54 0.00 0.00 0.00 173.10 175.61 2qg3 s LYS 69 N -0.84 0.42 -0.05 2.90 3.01 -1.26 -0.71 119.74 123.21 2qg3 s LYS 69 Ca -0.03 -0.11 -0.02 0.00 -1.01 0.00 0.00 55.97 54.80 2qg3 s LYS 69 Cb -0.01 -0.45 0.04 0.00 -1.01 0.00 0.00 37.83 36.40 2qg3 s LYS 69 CO 0.02 0.03 0.10 -1.58 0.51 0.00 0.00 175.35 174.43 2qg3 s TRP 70 N 0.25 -0.05 -0.33 3.18 0.51 0.80 -4.98 118.94 118.32 2qg3 s TRP 70 Ca -0.02 0.39 0.23 0.00 -2.12 0.00 0.00 56.10 54.57 2qg3 s TRP 70 Cb -0.06 -0.31 0.06 0.00 -0.81 0.00 0.00 33.47 32.35 2qg3 s TRP 70 CO -0.00 -0.20 1.09 0.72 -0.51 0.00 0.00 176.95 178.05 2qg3 n HIS 71 N 4.97 0.85 -0.35 -1.98 8.25 -1.26 -0.53 115.22 125.18 2qg3 n HIS 71 Ca -0.11 0.25 0.00 0.00 -0.26 0.00 0.00 57.72 57.60 2qg3 n HIS 71 Cb 0.50 -0.87 0.00 0.00 1.12 0.00 0.00 29.99 30.74 2qg3 n HIS 71 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 2qg3 n GLU 72 N -2.53 0.07 0.00 -0.41 -0.58 -1.26 -4.68 120.64 111.25 2qg3 n GLU 72 Ca 0.01 -0.26 0.00 0.00 -0.42 0.00 0.00 57.16 56.49 2qg3 n GLU 72 Cb 0.52 -0.73 0.00 0.00 -0.57 0.00 0.00 31.44 30.67 2qg3 n GLU 72 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2qg3 n GLY 73 N 0.08 4.23 2.92 0.62 0.00 -1.26 -4.96 105.19 106.83 2qg3 n GLY 73 Ca 0.00 -1.57 -0.11 0.00 0.00 0.00 0.00 46.02 44.34 2qg3 n GLY 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qg3 s VAL 74 N -2.16 0.09 0.35 1.61 0.11 -1.26 -4.90 120.40 114.24 2qg3 s VAL 74 Ca 0.00 -0.40 -0.11 0.00 -2.93 0.00 0.00 61.98 58.54 2qg3 s VAL 74 Cb 0.00 -0.15 -0.07 0.00 -1.53 0.00 0.00 36.38 34.63 2qg3 s VAL 74 CO 0.00 -0.20 0.71 -1.61 -3.33 0.00 0.00 175.10 170.68 2qg3 s GLU 75 N -0.62 3.84 0.37 1.54 2.02 -1.26 -4.93 118.70 119.65 2qg3 s GLU 75 Ca -0.06 0.46 0.04 0.00 0.02 0.00 0.00 54.97 55.43 2qg3 s GLU 75 Cb -0.04 -2.46 0.70 0.00 0.10 0.00 0.00 34.13 32.43 2qg3 s GLU 75 CO -0.00 0.09 1.99 0.28 0.02 0.00 0.00 175.26 177.64 2qg3 h VAL 76 N 1.50 1.15 -0.08 2.63 2.07 -1.96 -1.37 116.25 120.18 2qg3 h VAL 76 Ca -0.47 -0.39 -0.10 0.00 0.82 0.00 0.00 66.70 66.56 2qg3 h VAL 76 Cb 1.18 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 2qg3 h VAL 76 CO 0.65 0.17 -0.39 0.77 0.02 0.00 0.00 177.57 178.79 2qg3 h SER 77 N 0.67 0.18 -0.21 0.57 4.64 -1.99 -0.57 113.55 116.84 2qg3 h SER 77 Ca 0.17 -0.07 -0.12 0.00 -0.47 0.00 0.00 61.79 61.31 2qg3 h SER 77 Cb 0.02 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.06 2qg3 h SER 77 CO -0.03 0.55 -0.32 -0.33 -0.87 0.00 0.00 176.83 175.84 2qg3 h GLU 78 N 0.15 0.59 -0.43 4.77 5.08 -1.67 -1.67 114.58 121.40 2qg3 h GLU 78 Ca 0.01 -0.35 -0.01 0.00 -1.00 0.00 0.00 59.36 58.01 2qg3 h GLU 78 Cb 0.76 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.02 2qg3 h GLU 78 CO 0.06 0.96 0.22 0.28 -1.00 0.00 0.00 179.01 179.52 2qg3 h VAL 79 N 0.27 1.17 -0.67 3.13 2.07 -1.11 -2.12 116.25 118.99 2qg3 h VAL 79 Ca 0.02 -0.47 0.02 0.00 0.82 0.00 0.00 66.70 67.08 2qg3 h VAL 79 Cb 0.90 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 31.33 2qg3 h VAL 79 CO 0.07 0.18 0.43 0.00 0.02 0.00 0.00 177.57 178.28 2qg3 h ALA 80 N 1.06 0.85 -0.46 1.67 0.00 -1.01 -0.44 119.26 120.94 2qg3 h ALA 80 Ca 0.15 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 2qg3 h ALA 80 Cb 0.10 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2qg3 h ALA 80 CO -0.02 0.24 0.12 1.49 0.00 0.00 0.00 179.25 181.08 2qg3 h GLU 81 N 0.87 0.73 0.23 0.00 4.22 -1.24 0.27 114.58 119.66 2qg3 h GLU 81 Ca 0.25 -0.17 0.01 0.00 0.08 0.00 0.00 59.36 59.53 2qg3 h GLU 81 Cb -0.06 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 2qg3 h GLU 81 CO -0.07 0.71 -0.27 0.00 -2.18 0.00 0.00 179.01 177.20 2qg3 h ALA 82 N 0.98 -0.53 -0.92 2.92 0.00 -1.31 -3.09 119.26 117.31 2qg3 h ALA 82 Ca 0.15 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2qg3 h ALA 82 Cb 0.30 0.39 -0.05 0.00 0.00 0.00 0.00 17.79 18.44 2qg3 h ALA 82 CO -0.00 -0.83 0.59 0.00 0.00 0.00 0.00 179.25 179.00 2qg3 h ALA 83 N 0.11 1.30 0.00 0.00 0.00 -0.79 -0.85 119.26 119.02 2qg3 h ALA 83 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2qg3 h ALA 83 Cb 0.52 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2qg3 h ALA 83 CO -0.08 0.63 0.00 1.28 0.00 0.00 0.00 179.25 181.08 2qg3 n LEU 84 N -4.38 0.00 -0.68 0.00 4.77 0.92 -1.05 117.00 116.58 2qg3 n LEU 84 Ca 0.11 0.42 0.13 0.00 -0.03 0.00 0.00 56.01 56.63 2qg3 n LEU 84 Cb 0.04 -0.42 0.35 0.00 -2.33 0.00 0.00 43.42 41.06 2qg3 n LEU 84 CO 0.37 -0.23 0.77 0.54 -1.33 0.00 0.00 177.39 177.51 2qg3 n ARG 85 N -1.42 1.95 -1.80 3.23 1.74 -0.33 -4.27 116.66 115.76 2qg3 n ARG 85 Ca 0.04 -1.38 -0.40 0.00 -0.77 0.00 0.00 57.85 55.34 2qg3 n ARG 85 Cb 0.13 -1.47 0.01 0.00 -1.02 0.00 0.00 32.46 30.11 2qg3 n ARG 85 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2qg3 s SER 86 N -1.98 6.10 0.00 0.55 1.04 -0.21 -4.81 113.70 114.38 2qg3 s SER 86 Ca 0.34 2.98 0.07 0.00 0.48 0.00 0.00 55.95 59.82 2qg3 s SER 86 Cb 0.21 -2.66 -0.06 0.00 0.10 0.00 0.00 66.02 63.60 2qg3 s SER 86 CO 0.32 -1.03 0.36 0.54 0.98 0.00 0.00 173.24 174.41 2qg3 n ARG 87 N 0.12 4.13 0.00 4.02 1.74 -1.26 -0.67 116.66 124.74 2qg3 n ARG 87 Ca 0.03 -0.10 0.00 0.00 -0.77 0.00 0.00 57.85 57.01 2qg3 n ARG 87 Cb 0.41 -0.88 0.00 0.00 -1.02 0.00 0.00 32.46 30.97 2qg3 n ARG 87 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2qg3 n LYS 88 N -1.00 0.00 -4.19 5.56 5.02 -1.26 -4.47 118.16 117.81 2qg3 n LYS 88 Ca 0.02 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.96 2qg3 n LYS 88 Cb 0.12 0.00 -0.12 0.00 -0.02 0.00 0.00 35.03 35.01 2qg3 n LYS 88 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2qg3 s VAL 89 N 3.68 4.02 -0.05 -0.18 1.01 -0.64 -0.46 120.40 127.76 2qg3 s VAL 89 Ca 0.00 -0.30 -0.25 0.00 0.00 0.00 0.00 61.98 61.43 2qg3 s VAL 89 Cb 0.00 -2.79 -0.03 0.00 0.00 0.00 0.00 36.38 33.55 2qg3 s VAL 89 CO 0.00 0.46 0.76 0.00 0.00 0.00 0.00 175.10 176.32 2qg3 s ALA 90 N 0.69 3.30 -0.08 5.51 0.00 0.25 -0.18 121.76 131.25 2qg3 s ALA 90 Ca -0.01 0.22 0.03 0.00 0.00 0.00 0.00 51.96 52.21 2qg3 s ALA 90 Cb -0.14 -3.04 -0.02 0.00 0.00 0.00 0.00 23.12 19.92 2qg3 s ALA 90 CO 0.02 -0.14 -0.18 -1.58 0.00 0.00 0.00 175.76 173.88 2qg3 s TRP 91 N 0.86 2.64 -0.18 0.00 0.52 -0.29 -0.39 118.94 122.09 2qg3 s TRP 91 Ca 0.41 -0.55 -0.19 0.00 0.02 0.00 0.00 56.10 55.79 2qg3 s TRP 91 Cb -0.18 -1.69 -0.03 0.00 -1.15 0.00 0.00 33.47 30.41 2qg3 s TRP 91 CO 0.20 -0.11 0.53 -1.17 0.02 0.00 0.00 176.95 176.43 2qg3 s LEU 92 N -0.15 4.18 -0.03 2.99 2.96 0.08 -1.68 118.68 127.03 2qg3 s LEU 92 Ca -0.02 0.75 0.02 0.00 -0.22 0.00 0.00 54.13 54.66 2qg3 s LEU 92 Cb -0.14 -2.75 0.01 0.00 0.50 0.00 0.00 46.19 43.81 2qg3 s LEU 92 CO 0.04 -0.16 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.20 2qg3 s ILE 93 N 1.45 0.74 -0.19 6.68 1.01 -0.38 -1.29 121.20 129.22 2qg3 s ILE 93 Ca 0.26 -0.32 -0.02 0.00 0.00 0.00 0.00 60.65 60.56 2qg3 s ILE 93 Cb -0.15 -0.67 -0.01 0.00 0.01 0.00 0.00 42.46 41.64 2qg3 s ILE 93 CO 0.10 0.24 -0.09 -1.58 0.00 0.00 0.00 174.94 173.61 2qg3 s GLN 94 N 0.30 3.33 -0.24 2.79 -0.44 -0.35 -0.60 119.66 124.45 2qg3 s GLN 94 Ca -0.05 -0.67 -0.07 0.00 -2.50 0.00 0.00 55.36 52.08 2qg3 s GLN 94 Cb -0.09 -2.84 -0.02 0.00 -1.64 0.00 0.00 33.01 28.41 2qg3 s GLN 94 CO 0.01 -0.08 0.05 0.71 0.50 0.00 0.00 175.29 176.47 2qg3 s TYR 95 N 1.13 3.06 0.80 1.67 1.51 0.62 -4.38 117.35 121.77 2qg3 s TYR 95 Ca 0.01 -0.51 -0.12 0.00 -1.01 0.00 0.00 57.07 55.45 2qg3 s TYR 95 Cb -0.14 -2.21 0.08 0.00 -0.11 0.00 0.00 41.96 39.58 2qg3 s TYR 95 CO -0.02 -0.38 1.17 -1.25 -1.11 0.00 0.00 175.55 173.96 2qg3 s PRO 96 N 1.55 1.97 0.42 -1.71 0.04 -1.26 -1.01 135.00 134.99 2qg3 s PRO 96 Ca 0.06 0.08 -0.26 0.00 0.04 0.00 0.00 61.00 60.92 2qg3 s PRO 96 Cb -0.15 -1.96 -0.09 0.00 0.04 0.00 0.00 34.50 32.34 2qg3 s PRO 96 CO 0.02 -1.58 1.41 -2.14 0.04 0.00 0.00 177.00 174.75 2qg3 s PRO 97 N -5.56 3.85 -0.01 0.56 0.02 -1.26 -4.32 135.00 128.28 2qg3 s PRO 97 Ca 0.62 2.39 0.00 0.00 0.02 0.00 0.00 61.00 64.03 2qg3 s PRO 97 Cb -0.11 -2.75 0.01 0.00 0.02 0.00 0.00 34.50 31.67 2qg3 s PRO 97 CO 0.49 -0.67 0.01 -1.50 -0.33 0.00 0.00 177.00 174.99 2qg3 s ILE 98 N -1.19 0.02 -0.01 2.83 2.07 -0.40 -3.89 121.20 120.62 2qg3 s ILE 98 Ca 0.58 0.08 0.02 0.00 -1.41 0.00 0.00 60.65 59.92 2qg3 s ILE 98 Cb -0.43 -0.08 -0.00 0.00 0.13 0.00 0.00 42.46 42.08 2qg3 s ILE 98 CO 0.56 0.05 -0.07 -0.63 -1.91 0.00 0.00 174.94 172.95 2qg3 s ILE 99 N 0.50 0.58 -0.15 2.00 1.01 -0.31 -0.39 121.20 124.44 2qg3 s ILE 99 Ca -0.04 -0.29 -0.02 0.00 0.00 0.00 0.00 60.65 60.29 2qg3 s ILE 99 Cb -0.06 -0.50 -0.02 0.00 0.01 0.00 0.00 42.46 41.89 2qg3 s ILE 99 CO -0.01 0.17 -0.07 -1.00 0.00 0.00 0.00 174.94 174.03 2qg3 s HIS 100 N -0.05 2.94 -0.07 3.97 3.76 -0.34 -0.58 115.29 124.92 2qg3 s HIS 100 Ca 0.01 -0.48 -0.01 0.00 -0.15 0.00 0.00 55.06 54.43 2qg3 s HIS 100 Cb -0.04 -1.93 0.03 0.00 1.11 0.00 0.00 32.58 31.75 2qg3 s HIS 100 CO -0.00 -0.14 -0.01 0.08 -0.85 0.00 0.00 174.74 173.82 2qg3 s VAL 101 N 0.45 0.41 0.15 -0.90 1.01 -0.43 -0.32 120.40 120.77 2qg3 s VAL 101 Ca -0.06 0.08 -0.29 0.00 0.00 0.00 0.00 61.98 61.71 2qg3 s VAL 101 Cb -0.15 -0.55 -0.07 0.00 0.00 0.00 0.00 36.38 35.61 2qg3 s VAL 101 CO 0.04 0.26 0.90 0.00 0.00 0.00 0.00 175.10 176.29 2qg3 s ALA 102 N 1.82 3.32 0.01 5.51 0.00 0.40 -0.54 121.76 132.27 2qg3 s ALA 102 Ca 0.03 0.52 0.07 0.00 0.00 0.00 0.00 51.96 52.57 2qg3 s ALA 102 Cb -0.13 -3.17 -0.02 0.00 0.00 0.00 0.00 23.12 19.81 2qg3 s ALA 102 CO -0.05 0.11 -0.20 0.00 0.00 0.00 0.00 175.76 175.62 2qg3 h ARG 104 N 5.37 0.84 -4.03 0.00 2.43 -1.41 -3.35 114.38 114.23 2qg3 h ARG 104 Ca -0.40 -0.21 -0.24 0.00 -0.81 0.00 0.00 59.98 58.32 2qg3 h ARG 104 Cb 1.15 -0.11 -0.08 0.00 -0.42 0.00 0.00 29.97 30.51 2qg3 h ARG 104 CO 0.46 0.81 -0.16 0.54 -1.51 0.00 0.00 179.97 180.11 2qg3 s ASN 105 N -6.61 0.77 0.27 -3.80 2.20 -1.26 -4.95 114.94 101.57 2qg3 s ASN 105 Ca -0.10 -1.42 -0.03 0.00 -0.94 0.00 0.00 52.86 50.37 2qg3 s ASN 105 Cb 0.15 0.67 0.36 0.00 -2.00 0.00 0.00 41.25 40.43 2qg3 s ASN 105 CO 0.81 -1.30 1.90 -0.29 -2.94 0.00 0.00 177.10 175.27 2qg3 h ILE 106 N 2.12 1.23 -0.67 0.54 2.10 -1.99 -2.29 117.51 118.54 2qg3 h ILE 106 Ca -0.28 -0.58 -0.05 0.00 1.08 0.00 0.00 64.86 65.03 2qg3 h ILE 106 Cb 1.24 0.20 -0.03 0.00 -1.09 0.00 0.00 36.82 37.14 2qg3 h ILE 106 CO 0.39 0.26 0.24 1.23 -1.08 0.00 0.00 178.15 179.18 2qg3 h GLY 107 N 1.11 1.10 0.99 8.18 0.00 -1.99 -1.26 103.07 111.19 2qg3 h GLY 107 Ca 0.27 -0.63 -0.05 0.00 0.00 0.00 0.00 47.33 46.92 2qg3 h GLY 107 CO -0.04 0.59 0.12 0.00 0.00 0.00 0.00 176.54 177.20 2qg3 h ALA 108 N 1.10 0.69 -0.28 3.60 0.00 -1.88 -2.16 119.26 120.34 2qg3 h ALA 108 Ca 0.22 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.95 2qg3 h ALA 108 Cb 0.26 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 2qg3 h ALA 108 CO -0.01 0.40 0.06 0.00 0.00 0.00 0.00 179.25 179.70 2qg3 h ALA 109 N 1.00 0.29 -0.61 0.00 0.00 -1.18 -1.71 119.26 117.05 2qg3 h ALA 109 Ca 0.16 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.15 2qg3 h ALA 109 Cb 0.35 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 2qg3 h ALA 109 CO 0.00 -0.35 0.37 0.87 0.00 0.00 0.00 179.25 180.14 2qg3 h LYS 110 N 0.17 0.69 -0.58 0.00 1.57 -1.10 -2.52 116.57 114.80 2qg3 h LYS 110 Ca 0.13 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 58.90 2qg3 h LYS 110 Cb 0.12 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.24 2qg3 h LYS 110 CO -0.16 0.46 0.33 1.25 -0.57 0.00 0.00 179.45 180.76 2qg3 h LEU 111 N 0.72 0.52 -1.84 2.94 5.85 -1.12 -0.38 115.31 121.99 2qg3 h LEU 111 Ca 0.25 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.99 2qg3 h LEU 111 Cb 0.05 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 40.99 2qg3 h LEU 111 CO -0.12 0.36 0.00 -0.11 -0.34 0.00 0.00 178.44 178.23 2qg3 n LEU 112 N -4.79 1.45 0.00 2.25 7.94 -0.66 -1.78 117.00 121.40 2qg3 n LEU 112 Ca 0.06 -0.72 0.00 0.00 -1.11 0.00 0.00 56.01 54.23 2qg3 n LEU 112 Cb 0.11 -0.27 0.00 0.00 0.53 0.00 0.00 43.42 43.79 2qg3 n LEU 112 CO 0.31 0.25 0.00 -3.20 -1.11 0.00 0.00 177.39 173.64 2qg3 n ASN 114 N 0.65 0.00 -0.06 1.96 4.05 -0.15 -1.32 115.26 120.38 2qg3 n ASN 114 Ca 0.00 0.00 -0.08 0.00 0.45 0.00 0.00 54.58 54.95 2qg3 n ASN 114 Cb 0.25 0.00 -0.02 0.00 1.23 0.00 0.00 39.78 41.24 2qg3 n ASN 114 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2qg3 h ALA 115 N 0.00 0.29 -0.76 5.20 0.00 -1.61 -0.71 119.26 121.68 2qg3 h ALA 115 Ca 0.00 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2qg3 h ALA 115 Cb 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2qg3 h ALA 115 CO 0.00 -0.31 0.36 0.00 0.00 0.00 0.00 179.25 179.30 2qg3 h ALA 116 N 1.15 0.97 -0.21 0.00 0.00 -1.48 -1.15 119.26 118.54 2qg3 h ALA 116 Ca 0.11 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2qg3 h ALA 116 Cb 0.06 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 2qg3 h ALA 116 CO -0.10 0.54 0.13 -0.91 0.00 0.00 0.00 179.25 178.92 2qg3 h ASN 117 N 1.06 0.25 -0.92 0.00 2.35 -1.68 -0.72 115.58 115.93 2qg3 h ASN 117 Ca 0.26 -0.04 0.13 0.00 -0.55 0.00 0.00 56.30 56.10 2qg3 h ASN 117 Cb 0.13 -0.06 -0.07 0.00 0.05 0.00 0.00 38.32 38.36 2qg3 h ASN 117 CO -0.03 0.22 0.59 0.74 -1.65 0.00 0.00 177.43 177.29 2qg3 h THR 118 N 0.26 0.87 0.00 2.81 2.02 -0.71 -1.35 112.91 116.81 2qg3 h THR 118 Ca 0.08 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.98 2qg3 h THR 118 Cb 0.01 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.43 2qg3 h THR 118 CO -0.01 0.15 0.00 0.00 0.37 0.00 0.00 175.52 176.02 2qg3 h ALA 119 N 1.58 1.00 0.00 6.16 0.00 -0.95 -3.46 119.26 123.58 2qg3 h ALA 119 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.37 2qg3 h ALA 119 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2qg3 h ALA 119 CO -0.22 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.44 2qg3 n GLY 120 N 0.39 0.94 3.53 0.00 0.00 -0.51 -4.63 105.19 104.91 2qg3 n GLY 120 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 2qg3 n GLY 120 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qg3 s PHE 121 N -2.00 2.78 0.92 1.61 0.08 -0.30 -4.97 117.98 116.10 2qg3 s PHE 121 Ca 0.00 -1.20 -0.12 0.00 0.12 0.00 0.00 56.93 55.74 2qg3 s PHE 121 Cb 0.00 -4.59 0.14 0.00 -0.57 0.00 0.00 43.02 38.00 2qg3 s PHE 121 CO 0.00 -1.78 1.09 -0.98 -0.10 0.00 0.00 175.22 173.45 2qg3 s ARG 122 N 4.09 1.04 -1.88 0.44 1.70 -1.26 -3.46 118.95 119.62 2qg3 s ARG 122 Ca 0.44 0.87 0.00 0.00 -0.47 0.00 0.00 55.73 56.57 2qg3 s ARG 122 Cb -0.01 -1.78 0.00 0.00 -0.57 0.00 0.00 34.95 32.59 2qg3 s ARG 122 CO -0.06 -2.40 0.00 2.89 -1.08 0.00 0.00 175.30 174.65 2qg3 n ARG 123 N -4.00 -1.27 -2.64 3.89 1.85 -1.26 -4.30 116.66 108.93 2qg3 n ARG 123 Ca 0.07 1.11 -0.32 0.00 -1.00 0.00 0.00 57.85 57.71 2qg3 n ARG 123 Cb 0.55 -5.40 -0.05 0.00 -1.05 0.00 0.00 32.46 26.52 2qg3 n ARG 123 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 2qg3 s SER 124 N -2.76 6.73 -0.03 2.89 1.04 -1.22 -4.29 113.70 116.05 2qg3 s SER 124 Ca 0.00 1.55 -0.31 0.00 0.48 0.00 0.00 55.95 57.67 2qg3 s SER 124 Cb 0.00 -2.49 0.12 0.00 0.10 0.00 0.00 66.02 63.74 2qg3 s SER 124 CO 0.00 -0.46 1.20 -0.83 0.98 0.00 0.00 173.24 174.13 2qg3 s GLY 125 N -2.72 -0.36 -0.28 7.32 0.00 -0.74 -5.01 107.32 105.53 2qg3 s GLY 125 Ca 0.59 0.83 -0.21 0.00 0.00 0.00 0.00 44.72 45.93 2qg3 s GLY 125 CO 0.24 0.21 0.65 0.14 0.00 0.00 0.00 173.10 174.34 2qg3 s VAL 126 N -2.59 4.94 -0.80 1.40 1.01 -1.26 -0.31 120.40 122.79 2qg3 s VAL 126 Ca 0.12 1.01 0.21 0.00 0.00 0.00 0.00 61.98 63.32 2qg3 s VAL 126 Cb 0.02 -3.99 -0.24 0.00 0.00 0.00 0.00 36.38 32.17 2qg3 s VAL 126 CO -0.03 -0.09 0.84 2.30 0.00 0.00 0.00 175.10 178.12 2qg3 n ILE 127 N 5.33 0.01 -3.63 2.22 -5.35 0.34 -4.74 119.36 113.54 2qg3 n ILE 127 Ca -0.00 -0.11 -0.14 0.00 -0.27 0.00 0.00 62.75 62.23 2qg3 n ILE 127 Cb 0.49 0.75 -0.13 0.00 -1.74 0.00 0.00 39.64 39.00 2qg3 n ILE 127 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 2qg3 s SER 128 N -3.33 0.54 0.31 7.28 0.15 -1.21 -5.00 113.70 112.44 2qg3 s SER 128 Ca 0.05 0.43 0.13 0.00 0.70 0.00 0.00 55.95 57.26 2qg3 s SER 128 Cb 0.16 0.62 0.47 0.00 -1.71 0.00 0.00 66.02 65.56 2qg3 s SER 128 CO 0.87 -0.26 1.66 -0.07 1.20 0.00 0.00 173.24 176.64 2qg3 h LEU 129 N 8.30 0.00 0.00 3.45 3.38 -1.88 0.21 115.31 128.77 2qg3 h LEU 129 Ca -0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.82 2qg3 h LEU 129 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 2qg3 h LEU 129 CO 0.16 0.53 0.00 -0.24 0.09 0.00 0.00 178.44 178.98 2qg3 n SER 130 N -3.74 0.00 -2.42 -0.43 2.88 -1.26 -1.51 113.62 107.14 2qg3 n SER 130 Ca -0.01 0.73 -0.31 0.00 -1.33 0.00 0.00 58.87 57.96 2qg3 n SER 130 Cb 0.57 -0.33 0.03 0.00 -0.75 0.00 0.00 64.21 63.73 2qg3 n SER 130 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2qg3 n ASN 131 N -2.49 5.97 -3.68 -3.46 4.13 -1.26 -4.94 115.26 109.53 2qg3 n ASN 131 Ca 0.00 -3.77 -0.21 0.00 1.68 0.00 0.00 54.58 52.29 2qg3 n ASN 131 Cb 0.00 -0.66 0.01 0.00 -1.54 0.00 0.00 39.78 37.59 2qg3 n ASN 131 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 2qg3 n TYR 132 N -0.64 -0.79 -2.45 3.10 4.01 -0.57 -1.98 117.16 117.83 2qg3 n TYR 132 Ca 0.48 0.14 -0.43 0.00 -0.16 0.00 0.00 57.90 57.94 2qg3 n TYR 132 Cb 0.65 -1.39 -0.02 0.00 -0.31 0.00 0.00 39.34 38.27 2qg3 n TYR 132 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2qg3 s VAL 133 N -3.71 4.18 -0.20 -0.72 1.01 0.05 -2.24 120.40 118.77 2qg3 s VAL 133 Ca 0.17 1.33 -0.16 0.00 0.00 0.00 0.00 61.98 63.32 2qg3 s VAL 133 Cb -0.10 -4.20 -0.04 0.00 0.00 0.00 0.00 36.38 32.05 2qg3 s VAL 133 CO 0.48 -0.50 0.41 -0.69 0.00 0.00 0.00 175.10 174.81 2qg3 s VAL 134 N 4.31 5.19 -0.22 2.92 1.01 0.30 -0.50 120.40 133.41 2qg3 s VAL 134 Ca 0.55 0.74 -0.16 0.00 0.00 0.00 0.00 61.98 63.11 2qg3 s VAL 134 Cb -0.16 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 2qg3 s VAL 134 CO 0.23 0.25 0.43 -0.70 0.00 0.00 0.00 175.10 175.30 2qg3 s GLU 135 N 1.32 4.14 -0.30 2.72 2.12 0.57 -1.31 118.70 127.97 2qg3 s GLU 135 Ca 0.20 0.23 -0.07 0.00 0.36 0.00 0.00 54.97 55.68 2qg3 s GLU 135 Cb -0.15 -3.57 0.01 0.00 0.26 0.00 0.00 34.13 30.68 2qg3 s GLU 135 CO 0.08 -0.12 0.09 0.42 -0.54 0.00 0.00 175.26 175.19 2qg3 s ILE 136 N 1.56 4.06 0.21 -3.70 1.01 0.25 -1.79 121.20 122.81 2qg3 s ILE 136 Ca 0.20 -0.66 -0.19 0.00 0.00 0.00 0.00 60.65 60.00 2qg3 s ILE 136 Cb -0.15 -3.09 0.03 0.00 0.01 0.00 0.00 42.46 39.26 2qg3 s ILE 136 CO 0.09 0.07 0.57 0.00 0.00 0.00 0.00 174.94 175.67 2qg3 s ALA 137 N 1.51 -1.06 0.11 9.38 0.00 -1.26 -1.16 121.76 129.28 2qg3 s ALA 137 Ca 0.03 -0.17 0.00 0.00 0.00 0.00 0.00 51.96 51.82 2qg3 s ALA 137 Cb -0.17 0.87 0.00 0.00 0.00 0.00 0.00 23.12 23.82 2qg3 s ALA 137 CO 0.03 -0.85 0.02 0.43 0.00 0.00 0.00 175.76 175.39 2qg3 n SER 138 N -0.37 2.13 -4.56 0.00 7.64 -1.25 -4.02 113.62 113.18 2qg3 n SER 138 Ca -0.09 -1.46 -0.36 0.00 1.01 0.00 0.00 58.87 57.97 2qg3 n SER 138 Cb 0.62 0.06 -0.11 0.00 -1.01 0.00 0.00 64.21 63.77 2qg3 n SER 138 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 2qg3 s LEU 139 N 0.00 3.71 -0.05 -3.43 -0.00 -1.26 -4.97 118.68 112.68 2qg3 s LEU 139 Ca 0.01 -0.03 -0.03 0.00 -0.00 0.00 0.00 54.13 54.08 2qg3 s LEU 139 Cb -0.00 -1.97 -0.13 0.00 -0.00 0.00 0.00 46.19 44.09 2qg3 s LEU 139 CO 0.01 0.08 2.92 -0.62 -0.00 0.00 0.00 176.35 178.73 2qg3 n GLU 140 N 4.18 1.66 0.33 1.48 1.02 -1.26 -4.82 120.64 123.23 2qg3 n GLU 140 Ca -0.16 -0.76 0.21 0.00 -0.02 0.00 0.00 57.16 56.43 2qg3 n GLU 140 Cb 0.52 -1.64 1.11 0.00 -0.02 0.00 0.00 31.44 31.41 2qg3 n GLU 140 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2qg3 h ARG 141 N 2.22 0.00 -4.71 3.49 2.47 -1.95 -3.42 114.38 112.48 2qg3 h ARG 141 Ca 0.14 0.00 -0.69 0.00 -1.26 0.00 0.00 59.98 58.17 2qg3 h ARG 141 Cb 1.25 0.00 -0.23 0.00 -1.65 0.00 0.00 29.97 29.34 2qg3 h ARG 141 CO 0.22 0.00 -0.54 0.42 0.56 0.00 0.00 179.97 180.62 2qg3 s ILE 142 N -4.11 4.56 -0.25 2.04 1.01 -1.26 -5.01 121.20 118.18 2qg3 s ILE 142 Ca -0.05 -0.60 -0.02 0.00 0.00 0.00 0.00 60.65 59.99 2qg3 s ILE 142 Cb 0.12 -3.41 0.14 0.00 0.01 0.00 0.00 42.46 39.32 2qg3 s ILE 142 CO 0.37 -0.05 0.42 -0.70 0.00 0.00 0.00 174.94 174.98 2qg3 s GLU 143 N 1.59 0.39 0.03 2.79 2.12 -1.25 -1.21 118.70 123.15 2qg3 s GLU 143 Ca 0.04 0.60 -0.12 0.00 0.36 0.00 0.00 54.97 55.84 2qg3 s GLU 143 Cb -0.18 -0.30 0.01 0.00 0.26 0.00 0.00 34.13 33.92 2qg3 s GLU 143 CO 0.06 -0.66 0.25 -0.48 -0.54 0.00 0.00 175.26 173.90 2qg3 s LEU 144 N 2.60 1.11 0.25 2.70 2.34 -0.41 -4.98 118.68 122.30 2qg3 s LEU 144 Ca 0.14 -0.21 -0.27 0.00 0.06 0.00 0.00 54.13 53.85 2qg3 s LEU 144 Cb -0.15 1.13 -0.09 0.00 -0.56 0.00 0.00 46.19 46.52 2qg3 s LEU 144 CO -0.17 -0.54 0.90 -2.16 -1.06 0.00 0.00 176.35 173.32 2qg3 s PRO 145 N -2.24 4.68 0.00 1.48 0.04 -1.26 -0.74 135.00 136.96 2qg3 s PRO 145 Ca -0.07 1.34 0.00 0.00 0.04 0.00 0.00 61.00 62.31 2qg3 s PRO 145 Cb -0.02 -3.09 0.00 0.00 0.04 0.00 0.00 34.50 31.42 2qg3 s PRO 145 CO -0.02 0.44 0.00 1.33 0.04 0.00 0.00 177.00 178.79 2qg3 n VAL 146 N 1.15 0.00 -3.64 -0.36 0.24 0.47 -4.88 118.33 111.31 2qg3 n VAL 146 Ca -0.01 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.18 2qg3 n VAL 146 Cb 0.49 0.11 -0.04 0.00 -1.47 0.00 0.00 33.84 32.92 2qg3 n VAL 146 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2qg3 s ALA 147 N -1.30 -0.95 -0.03 2.33 0.00 -1.15 -1.21 121.76 119.45 2qg3 s ALA 147 Ca 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 51.96 51.89 2qg3 s ALA 147 Cb 0.00 0.73 0.03 0.00 0.00 0.00 0.00 23.12 23.88 2qg3 s ALA 147 CO 0.00 -0.67 0.03 -2.00 0.00 0.00 0.00 175.76 173.12 2qg3 s GLU 148 N -3.81 0.12 -1.42 0.00 2.12 0.05 -0.59 118.70 115.16 2qg3 s GLU 148 Ca 0.04 0.21 -0.04 0.00 0.36 0.00 0.00 54.97 55.53 2qg3 s GLU 148 Cb 0.01 -0.48 0.03 0.00 0.26 0.00 0.00 34.13 33.96 2qg3 s GLU 148 CO -0.11 -0.22 0.63 1.63 -0.54 0.00 0.00 175.26 176.65 2qg3 n LYS 149 N 4.62 -4.14 -0.97 4.30 5.02 0.39 -1.49 118.16 125.88 2qg3 n LYS 149 Ca -0.18 0.50 0.00 0.00 -2.02 0.00 0.00 58.31 56.61 2qg3 n LYS 149 Cb 0.50 -4.94 0.00 0.00 -0.02 0.00 0.00 35.03 30.57 2qg3 n LYS 149 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qg3 n GLY 150 N -1.75 0.63 0.00 0.72 0.00 0.15 -4.90 105.19 100.04 2qg3 n GLY 150 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 2qg3 n GLY 150 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qg3 n LEU 151 N 0.00 0.00 0.00 0.99 4.77 -0.55 -4.66 117.00 117.55 2qg3 n LEU 151 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2qg3 n LEU 151 Cb 0.04 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 2qg3 n LEU 151 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.39 176.24 2qg3 n LEU 153 N 0.00 0.00 -4.26 2.23 4.77 -0.35 -0.77 117.00 118.61 2qg3 n LEU 153 Ca 0.00 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.81 2qg3 n LEU 153 Cb 0.00 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 40.98 2qg3 n LEU 153 CO 0.00 0.00 -0.44 0.68 -1.33 0.00 0.00 177.39 176.30 2qg3 s VAL 154 N 0.00 1.38 0.83 4.08 -7.23 -1.25 -5.04 120.40 113.16 2qg3 s VAL 154 Ca 0.00 -1.87 -0.12 0.00 -1.81 0.00 0.00 61.98 58.18 2qg3 s VAL 154 Cb 0.00 -1.68 0.09 0.00 0.56 0.00 0.00 36.38 35.35 2qg3 s VAL 154 CO 0.00 -0.50 1.14 1.51 -0.31 0.00 0.00 175.10 176.93 2qg3 s ASP 155 N -2.73 4.27 0.28 4.85 1.47 -1.26 -4.82 116.67 118.73 2qg3 s ASP 155 Ca 0.13 1.00 0.00 0.00 1.18 0.00 0.00 52.55 54.86 2qg3 s ASP 155 Cb -0.03 -1.61 0.40 0.00 -0.34 0.00 0.00 42.92 41.34 2qg3 s ASP 155 CO 0.03 -2.07 1.76 0.44 0.68 0.00 0.00 175.17 176.01 2qg3 h ASP 156 N -1.17 0.64 -0.62 2.11 3.32 -2.01 -1.63 116.42 117.07 2qg3 h ASP 156 Ca -0.48 -0.17 -0.09 0.00 0.02 0.00 0.00 57.03 56.32 2qg3 h ASP 156 Cb 1.31 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.66 2qg3 h ASP 156 CO 0.63 0.76 0.05 0.00 -1.72 0.00 0.00 179.24 178.97 2qg3 h ALA 157 N 1.31 0.83 0.01 3.45 0.00 -1.99 -1.30 119.26 121.56 2qg3 h ALA 157 Ca 0.11 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 2qg3 h ALA 157 Cb 0.50 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2qg3 h ALA 157 CO 0.03 0.63 -0.00 -0.92 0.00 0.00 0.00 179.25 178.99 2qg3 h TYR 158 N 0.97 -0.01 -0.62 0.00 3.20 -1.85 -1.43 116.97 117.24 2qg3 h TYR 158 Ca 0.18 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.12 2qg3 h TYR 158 Cb 0.50 0.00 -0.06 0.00 1.54 0.00 0.00 36.73 38.71 2qg3 h TYR 158 CO 0.04 0.16 0.30 1.25 -1.64 0.00 0.00 178.16 178.27 2qg3 h LEU 159 N -0.17 0.40 -1.20 2.82 5.85 -1.26 -1.90 115.31 119.84 2qg3 h LEU 159 Ca -0.00 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.79 2qg3 h LEU 159 Cb 0.17 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.13 2qg3 h LEU 159 CO 0.00 0.26 0.54 0.28 -0.34 0.00 0.00 178.44 179.18 2qg3 h SER 160 N 0.55 0.91 -0.24 1.25 0.02 -1.12 -0.74 113.55 114.18 2qg3 h SER 160 Ca 0.29 -0.02 -0.13 0.00 -0.84 0.00 0.00 61.79 61.10 2qg3 h SER 160 Cb 0.26 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.58 2qg3 h SER 160 CO -0.22 0.65 -0.34 0.22 -1.14 0.00 0.00 176.83 175.99 2qg3 h TYR 161 N 1.07 0.80 0.00 3.45 3.20 -0.56 -1.77 116.97 123.15 2qg3 h TYR 161 Ca 0.31 -0.27 -0.08 0.00 3.14 0.00 0.00 58.73 61.84 2qg3 h TYR 161 Cb -0.05 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.05 2qg3 h TYR 161 CO -0.00 1.02 -0.38 -0.39 -1.64 0.00 0.00 178.16 176.77 2qg3 h VAL 162 N 0.36 0.78 -0.16 1.81 -1.51 -1.12 -1.40 116.25 115.00 2qg3 h VAL 162 Ca 0.02 -1.66 -0.13 0.00 -1.23 0.00 0.00 66.70 63.70 2qg3 h VAL 162 Cb 0.93 2.06 0.00 0.00 -2.13 0.00 0.00 31.29 32.16 2qg3 h VAL 162 CO 0.08 0.37 -0.40 0.58 -1.23 0.00 0.00 177.57 176.97 2qg3 h VAL 163 N 0.00 1.34 -0.05 7.19 2.07 -1.11 -1.48 116.25 124.22 2qg3 h VAL 163 Ca -0.00 -1.67 0.01 0.00 0.82 0.00 0.00 66.70 65.86 2qg3 h VAL 163 Cb 1.03 1.98 -0.02 0.00 -1.52 0.00 0.00 31.29 32.77 2qg3 h VAL 163 CO 0.05 0.51 -0.04 -0.09 0.02 0.00 0.00 177.57 178.02 2qg3 h ARG 164 N 0.21 -0.05 -0.45 1.57 2.43 -1.19 -1.38 114.38 115.51 2qg3 h ARG 164 Ca -0.00 0.00 0.09 0.00 -0.81 0.00 0.00 59.98 59.26 2qg3 h ARG 164 Cb 1.02 0.01 -0.09 0.00 -0.42 0.00 0.00 29.97 30.49 2qg3 h ARG 164 CO 0.09 -0.03 -0.15 2.35 -1.51 0.00 0.00 179.97 180.72 2qg3 h TRP 165 N -0.05 -0.35 -0.91 2.20 7.01 -1.27 -1.19 115.95 121.40 2qg3 h TRP 165 Ca 0.03 0.04 0.05 0.00 2.11 0.00 0.00 58.89 61.13 2qg3 h TRP 165 Cb 0.10 0.22 -0.06 0.00 -2.10 0.00 0.00 29.16 27.32 2qg3 h TRP 165 CO -0.14 -0.24 0.58 0.00 -2.79 0.00 0.00 178.44 175.86 2qg3 h ALA 166 N 1.36 1.22 -0.46 2.65 0.00 -1.05 -1.10 119.26 121.88 2qg3 h ALA 166 Ca 0.22 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.97 2qg3 h ALA 166 Cb 0.38 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2qg3 h ALA 166 CO -0.49 0.40 -0.23 -0.91 0.00 0.00 0.00 179.25 178.02 2qg3 h ASN 167 N 1.10 0.98 -0.59 0.00 2.35 -0.95 -0.75 115.58 117.72 2qg3 h ASN 167 Ca 0.38 -0.38 0.04 0.00 -0.55 0.00 0.00 56.30 55.79 2qg3 h ASN 167 Cb 0.08 -0.27 -0.04 0.00 0.05 0.00 0.00 38.32 38.13 2qg3 h ASN 167 CO -0.14 1.16 0.34 -0.33 -1.65 0.00 0.00 177.43 176.80 2qg3 h GLU 168 N 0.82 0.63 -0.53 0.81 3.07 -0.68 -0.67 114.58 118.04 2qg3 h GLU 168 Ca 0.10 -0.04 -0.06 0.00 -0.50 0.00 0.00 59.36 58.86 2qg3 h GLU 168 Cb 0.80 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 28.55 2qg3 h GLU 168 CO 0.07 0.42 0.08 0.87 -1.40 0.00 0.00 179.01 179.05 2qg3 h LYS 169 N 0.65 0.88 -0.48 2.33 1.79 -0.97 0.63 116.57 121.40 2qg3 h LYS 169 Ca 0.25 -0.24 -0.03 0.00 -2.18 0.00 0.00 60.65 58.45 2qg3 h LYS 169 Cb 0.09 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 30.62 2qg3 h LYS 169 CO -0.13 0.86 0.19 1.25 -1.08 0.00 0.00 179.45 180.53 2qg3 h LEU 170 N 0.76 0.67 -0.21 2.94 5.85 -0.99 -1.44 115.31 122.89 2qg3 h LEU 170 Ca 0.16 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.71 2qg3 h LEU 170 Cb 0.41 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 2qg3 h LEU 170 CO 0.01 0.66 0.14 -0.07 -0.34 0.00 0.00 178.44 178.84 2qg3 h LEU 171 N 0.64 0.25 -1.64 2.25 4.07 -0.86 -2.08 115.31 117.94 2qg3 h LEU 171 Ca 0.16 -0.02 0.16 0.00 0.08 0.00 0.00 57.88 58.25 2qg3 h LEU 171 Cb 0.21 -0.06 -0.05 0.00 1.08 0.00 0.00 40.66 41.84 2qg3 h LEU 171 CO -0.01 0.20 0.50 0.50 -1.08 0.00 0.00 178.44 178.55 2qg3 h LYS 172 N 0.28 0.34 -0.47 1.13 3.64 -0.65 -2.04 116.57 118.80 2qg3 h LYS 172 Ca 0.08 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.37 2qg3 h LYS 172 Cb -0.01 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.71 2qg3 h LYS 172 CO -0.02 0.23 0.02 0.78 -2.27 0.00 0.00 179.45 178.19 2qg3 h GLY 173 N 0.35 0.88 0.99 5.01 0.00 -0.62 -2.05 103.07 107.64 2qg3 h GLY 173 Ca 0.37 -0.63 -0.00 0.00 0.00 0.00 0.00 47.33 47.06 2qg3 h GLY 173 CO -0.11 0.58 0.32 0.50 0.00 0.00 0.00 176.54 177.84 2qg3 h LYS 174 N 0.67 0.71 -0.71 4.80 1.79 -0.91 -1.40 116.57 121.52 2qg3 h LYS 174 Ca 0.14 -0.06 -0.00 0.00 -2.18 0.00 0.00 60.65 58.54 2qg3 h LYS 174 Cb 0.47 -0.15 -0.04 0.00 -1.58 0.00 0.00 32.23 30.94 2qg3 h LYS 174 CO 0.02 0.51 0.44 0.93 -1.08 0.00 0.00 179.45 180.27 2qg3 h GLU 175 N 0.71 0.96 -0.61 3.15 5.08 -1.31 -0.80 114.58 121.76 2qg3 h GLU 175 Ca 0.19 -0.08 -0.08 0.00 -1.00 0.00 0.00 59.36 58.39 2qg3 h GLU 175 Cb -0.02 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.00 2qg3 h GLU 175 CO -0.04 0.66 0.07 0.87 -1.00 0.00 0.00 179.01 179.58 2qg3 h LYS 176 N 0.98 1.03 -0.86 2.33 1.57 -0.80 0.20 116.57 121.01 2qg3 h LYS 176 Ca 0.26 -0.29 0.01 0.00 -1.87 0.00 0.00 60.65 58.75 2qg3 h LYS 176 Cb -0.06 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.10 2qg3 h LYS 176 CO -0.05 0.97 0.56 -0.07 -0.57 0.00 0.00 179.45 180.29 2qg3 h LEU 177 N 0.93 1.00 0.07 2.94 3.38 -0.96 -0.77 115.31 121.90 2qg3 h LEU 177 Ca 0.18 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 2qg3 h LEU 177 Cb 0.46 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 2qg3 h LEU 177 CO 0.02 0.74 -0.04 1.23 0.09 0.00 0.00 178.44 180.48 2qg3 h GLY 178 N 1.17 -0.10 0.67 0.83 0.00 -0.90 -0.69 103.07 104.05 2qg3 h GLY 178 Ca 0.31 0.04 0.09 0.00 0.00 0.00 0.00 47.33 47.78 2qg3 h GLY 178 CO -0.07 -0.04 0.62 3.21 0.00 0.00 0.00 176.54 180.26 2qg3 h ARG 179 N -0.10 1.01 -0.49 4.80 3.08 -0.75 -0.50 114.38 121.42 2qg3 h ARG 179 Ca -0.01 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 59.93 2qg3 h ARG 179 Cb 0.09 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 29.89 2qg3 h ARG 179 CO 0.01 0.67 0.11 1.25 -1.07 0.00 0.00 179.97 180.94 2qg3 h LEU 180 N 1.04 0.76 -0.25 3.04 5.85 -0.97 0.47 115.31 125.25 2qg3 h LEU 180 Ca 0.44 -0.24 0.05 0.00 0.84 0.00 0.00 57.88 58.97 2qg3 h LEU 180 Cb 0.32 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 2qg3 h LEU 180 CO -0.20 0.80 -0.04 -0.61 -0.34 0.00 0.00 178.44 178.05 2qg3 h GLN 181 N 0.68 0.02 -0.21 1.25 4.15 -0.26 -1.15 115.11 119.60 2qg3 h GLN 181 Ca 0.15 -0.00 0.02 0.00 0.77 0.00 0.00 58.65 59.59 2qg3 h GLN 181 Cb 0.34 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.01 2qg3 h GLN 181 CO 0.00 0.02 0.09 0.93 -1.93 0.00 0.00 178.83 177.94 2qg3 h GLU 182 N 0.02 0.20 -0.62 1.69 5.08 -0.89 0.43 114.58 120.48 2qg3 h GLU 182 Ca 0.12 -0.01 0.11 0.00 -1.00 0.00 0.00 59.36 58.58 2qg3 h GLU 182 Cb 0.17 -0.04 -0.08 0.00 0.50 0.00 0.00 28.75 29.30 2qg3 h GLU 182 CO -0.24 0.13 0.18 0.00 -1.00 0.00 0.00 179.01 178.09 2qg3 h ALA 183 N 1.11 0.78 -0.31 3.43 0.00 -0.66 -1.95 119.26 121.67 2qg3 h ALA 183 Ca 0.09 0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.96 2qg3 h ALA 183 Cb 0.03 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2qg3 h ALA 183 CO -0.07 -0.25 -0.40 -0.07 0.00 0.00 0.00 179.25 178.45 2qg3 h LEU 184 N 0.33 0.80 -1.76 0.00 3.38 -0.79 -2.75 115.31 114.52 2qg3 h LEU 184 Ca 0.32 -0.37 0.03 0.00 0.09 0.00 0.00 57.88 57.96 2qg3 h LEU 184 Cb 0.46 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 2qg3 h LEU 184 CO -0.37 1.11 0.21 -0.33 0.09 0.00 0.00 178.44 179.15 2qg3 h GLU 185 N 0.62 0.31 -0.20 1.13 5.08 -0.51 -1.59 114.58 119.41 2qg3 h GLU 185 Ca 0.05 -0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 58.30 2qg3 h GLU 185 Cb 0.95 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 2qg3 h GLU 185 CO 0.09 0.20 -0.29 0.77 -1.00 0.00 0.00 179.01 178.78 2qg3 h SER 186 N 0.32 0.39 0.02 1.42 0.02 -1.08 -3.11 113.55 111.54 2qg3 h SER 186 Ca 0.13 -0.14 -0.17 0.00 -0.84 0.00 0.00 61.79 60.78 2qg3 h SER 186 Cb 0.13 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 2qg3 h SER 186 CO -0.03 0.68 -0.57 -0.07 -1.14 0.00 0.00 176.83 175.70 2qg3 h LEU 187 N 0.34 0.64 -2.29 5.07 3.38 -1.11 -3.07 115.31 118.28 2qg3 h LEU 187 Ca 0.05 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.67 2qg3 h LEU 187 Cb 0.69 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.26 2qg3 h LEU 187 CO 0.05 1.07 0.00 0.00 0.09 0.00 0.00 178.44 179.65 2qg3 n GLN 188 N -3.95 0.58 0.00 1.13 6.02 -0.92 -5.13 117.38 115.11 2qg3 n GLN 188 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 2qg3 n GLN 188 Cb 0.62 -1.21 0.00 0.00 1.02 0.00 0.00 30.24 30.67 2qg3 n GLN 188 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92