#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 0.67 -0.35 5.87 4.39 -1.98 0.11 114.58 123.28 2qg3 h GLU 4 Ca 0.00 -0.29 -0.15 0.00 0.34 0.00 0.00 59.36 59.25 2qg3 h GLU 4 Cb 0.00 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.62 2qg3 h GLU 4 CO 0.00 0.88 -0.39 1.96 -1.16 0.00 0.00 179.01 180.31 2qg3 h GLN 5 N 0.57 0.85 -0.09 2.33 7.50 -2.05 -0.81 115.11 123.41 2qg3 h GLN 5 Ca 0.07 -0.44 -0.00 0.00 0.50 0.00 0.00 58.65 58.77 2qg3 h GLN 5 Cb 0.80 0.01 -0.00 0.00 0.05 0.00 0.00 27.48 28.33 2qg3 h GLN 5 CO 0.07 1.09 0.05 0.35 -1.50 0.00 0.00 178.83 178.88 2qg3 h PHE 6 N 0.70 0.13 -0.63 2.96 3.57 -1.96 -2.31 116.94 119.40 2qg3 h PHE 6 Ca 0.06 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.50 2qg3 h PHE 6 Cb 0.96 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.63 2qg3 h PHE 6 CO 0.06 0.18 0.17 -0.22 -2.23 0.00 0.00 178.31 176.27 2qg3 h LYS 7 N 0.04 0.97 -0.67 1.11 3.64 -0.72 -1.99 116.57 118.95 2qg3 h LYS 7 Ca 0.03 -0.20 -0.02 0.00 -1.27 0.00 0.00 60.65 59.18 2qg3 h LYS 7 Cb 0.10 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.75 2qg3 h LYS 7 CO -0.00 0.85 0.33 0.87 -2.27 0.00 0.00 179.45 179.23 2qg3 h LYS 8 N 0.93 0.96 -0.15 1.90 1.57 -1.07 0.20 116.57 120.91 2qg3 h LYS 8 Ca 0.20 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 2qg3 h LYS 8 Cb 0.31 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 2qg3 h LYS 8 CO -0.00 0.76 0.08 1.05 -0.57 0.00 0.00 179.45 180.76 2qg3 h GLU 9 N 0.93 0.22 -0.37 3.15 4.11 -1.17 -1.55 114.58 119.90 2qg3 h GLU 9 Ca 0.23 -0.03 -0.14 0.00 0.07 0.00 0.00 59.36 59.49 2qg3 h GLU 9 Cb 0.11 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 2qg3 h GLU 9 CO -0.03 0.26 -0.33 0.87 0.07 0.00 0.00 179.01 179.85 2qg3 h LYS 10 N 0.12 0.83 -0.35 1.06 1.79 -1.16 -2.67 116.57 116.19 2qg3 h LYS 10 Ca 0.05 -0.40 -0.10 0.00 -2.18 0.00 0.00 60.65 58.03 2qg3 h LYS 10 Cb 0.11 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.74 2qg3 h LYS 10 CO -0.01 1.03 -0.18 1.25 -1.08 0.00 0.00 179.45 180.46 2qg3 h LEU 11 N 0.69 0.64 -0.97 2.94 5.85 -0.56 -1.87 115.31 122.04 2qg3 h LEU 11 Ca 0.07 -0.21 0.01 0.00 0.84 0.00 0.00 57.88 58.60 2qg3 h LEU 11 Cb 0.88 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.69 2qg3 h LEU 11 CO 0.08 0.83 0.64 -0.09 -0.34 0.00 0.00 178.44 179.56 2qg3 h ARG 12 N 0.57 1.27 -0.74 1.25 9.65 -1.14 0.23 114.38 125.47 2qg3 h ARG 12 Ca 0.09 -0.08 -0.02 0.00 -1.10 0.00 0.00 59.98 58.88 2qg3 h ARG 12 Cb 0.64 -0.29 -0.03 0.00 -1.39 0.00 0.00 29.97 28.90 2qg3 h ARG 12 CO 0.04 0.84 0.40 0.78 2.80 0.00 0.00 179.97 184.83 2qg3 h GLY 13 N 1.30 1.11 1.01 2.80 0.00 -1.06 -1.29 103.07 106.95 2qg3 h GLY 13 Ca 0.36 -0.51 -0.11 0.00 0.00 0.00 0.00 47.33 47.07 2qg3 h GLY 13 CO -0.08 0.49 -0.19 -1.82 0.00 0.00 0.00 176.54 174.93 2qg3 h TYR 14 N 1.03 0.94 -0.26 5.60 3.20 -0.95 -2.10 116.97 124.43 2qg3 h TYR 14 Ca 0.26 -0.24 -0.10 0.00 3.14 0.00 0.00 58.73 61.80 2qg3 h TYR 14 Cb 0.05 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.09 2qg3 h TYR 14 CO 0.00 0.99 -0.26 -0.07 -1.64 0.00 0.00 178.16 177.18 2qg3 h LEU 15 N 0.62 0.50 -0.65 2.82 -0.00 -0.85 -1.15 115.31 116.61 2qg3 h LEU 15 Ca 0.09 -0.17 -0.08 0.00 -0.00 0.00 0.00 57.88 57.71 2qg3 h LEU 15 Cb 0.75 -0.14 -0.03 0.00 -0.00 0.00 0.00 40.66 41.25 2qg3 h LEU 15 CO 0.06 0.75 0.09 1.05 -0.00 0.00 0.00 178.44 180.39 2qg3 h GLU 16 N 0.44 1.09 -0.43 1.13 -0.00 -1.17 -1.02 114.58 114.61 2qg3 h GLU 16 Ca 0.06 -0.30 -0.10 0.00 -0.00 0.00 0.00 59.36 59.02 2qg3 h GLU 16 Cb 0.69 -0.12 -0.02 0.00 -0.00 0.00 0.00 28.75 29.30 2qg3 h GLU 16 CO 0.05 1.01 -0.14 0.00 -0.00 0.00 0.00 179.01 179.93 2qg3 h ALA 17 N 1.03 0.95 -0.59 1.06 0.00 -1.12 -0.70 119.26 119.88 2qg3 h ALA 17 Ca 0.20 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 2qg3 h ALA 17 Cb 0.46 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 2qg3 h ALA 17 CO 0.02 0.61 0.25 0.87 0.00 0.00 0.00 179.25 181.00 2qg3 h LYS 18 N 0.71 0.88 -0.66 0.00 1.57 -1.08 0.61 116.57 118.60 2qg3 h LYS 18 Ca 0.11 -0.15 -0.04 0.00 -1.87 0.00 0.00 60.65 58.70 2qg3 h LYS 18 Cb 0.63 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.77 2qg3 h LYS 18 CO 0.04 0.74 0.25 -0.91 -0.57 0.00 0.00 179.45 179.00 2qg3 h ASN 19 N 0.82 0.93 0.00 0.86 2.35 -0.92 -2.00 115.58 117.61 2qg3 h ASN 19 Ca 0.20 -0.18 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 2qg3 h ASN 19 Cb 0.18 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.31 2qg3 h ASN 19 CO -0.02 0.86 0.00 0.00 -1.65 0.00 0.00 177.43 176.62 2qg3 n GLN 20 N -4.38 0.95 -2.86 0.81 6.02 -0.29 -4.87 117.38 112.75 2qg3 n GLN 20 Ca 0.05 0.00 -0.18 0.00 -0.01 0.00 0.00 57.00 56.85 2qg3 n GLN 20 Cb 0.19 -1.10 0.00 0.00 1.02 0.00 0.00 30.24 30.35 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 -0.60 -3.07 -1.36 -1.09 -4.01 -0.75 -4.88 116.66 100.91 2qg3 n ARG 21 Ca 0.04 0.63 -0.31 0.00 -1.04 0.00 0.00 57.85 57.18 2qg3 n ARG 21 Cb 0.02 -5.32 0.09 0.00 -3.04 0.00 0.00 32.46 24.21 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 -3.35 2.68 -4.30 2.89 5.02 0.21 -4.89 118.16 116.41 2qg3 n LYS 22 Ca -0.10 -3.33 -0.20 0.00 -2.02 0.00 0.00 58.31 52.67 2qg3 n LYS 22 Cb 0.59 -2.26 -0.16 0.00 -0.02 0.00 0.00 35.03 33.19 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 -4.51 0.66 -0.20 -0.18 1.01 -1.25 -4.83 120.40 111.11 2qg3 s VAL 23 Ca 0.62 -0.28 -0.37 0.00 0.00 0.00 0.00 61.98 61.95 2qg3 s VAL 23 Cb 0.49 -0.61 -0.14 0.00 0.00 0.00 0.00 36.38 36.13 2qg3 s VAL 23 CO 0.01 0.22 1.83 0.47 0.00 0.00 0.00 175.10 177.63 2qg3 n ASP 24 N 3.44 2.89 -0.10 3.32 8.00 -1.26 -4.81 116.55 128.02 2qg3 n ASP 24 Ca -0.19 1.00 0.18 0.00 0.71 0.00 0.00 54.79 56.49 2qg3 n ASP 24 Cb 0.54 -1.25 0.58 0.00 -0.02 0.00 0.00 41.12 40.97 2qg3 n ASP 24 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 2qg3 h PHE 25 N 8.38 0.28 -0.00 1.24 0.04 -1.99 -2.19 116.94 122.70 2qg3 h PHE 25 Ca -0.47 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.31 2qg3 h PHE 25 Cb 1.30 -0.09 0.00 0.00 2.20 0.00 0.00 35.95 39.36 2qg3 h PHE 25 CO 0.83 0.11 -0.05 -0.40 -0.60 0.00 0.00 178.31 178.20 2qg3 n ASP 26 N -4.43 0.34 0.00 2.17 5.75 -1.26 -3.31 116.55 115.81 2qg3 n ASP 26 Ca 0.13 -0.64 0.00 0.00 -0.01 0.00 0.00 54.79 54.27 2qg3 n ASP 26 Cb 0.58 -0.10 0.00 0.00 -1.03 0.00 0.00 41.12 40.57 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 -0.96 0.72 -0.32 2.12 -5.35 -0.83 -4.69 119.36 110.05 2qg3 n ILE 27 Ca 0.17 -0.76 0.14 0.00 -0.27 0.00 0.00 62.75 62.03 2qg3 n ILE 27 Cb 0.24 0.66 0.33 0.00 -1.74 0.00 0.00 39.64 39.13 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 0.56 0.53 -0.04 7.28 2.07 -1.52 0.01 116.25 125.14 2qg3 h VAL 28 Ca 0.00 -0.17 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 2qg3 h VAL 28 Cb 0.55 -0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.30 2qg3 h VAL 28 CO 0.00 0.09 0.02 -0.08 0.02 0.00 0.00 177.57 177.62 2qg3 h GLU 29 N 0.50 0.07 -0.10 1.57 4.81 -1.84 -0.14 114.58 119.46 2qg3 h GLU 29 Ca 0.58 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.83 2qg3 h GLU 29 Cb 1.07 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.41 2qg3 h GLU 29 CO -0.49 0.20 -0.08 1.25 -0.73 0.00 0.00 179.01 179.16 2qg3 h LEU 30 N -0.09 -0.27 -0.57 1.64 5.85 -1.70 -0.16 115.31 120.02 2qg3 h LEU 30 Ca 0.01 0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.72 2qg3 h LEU 30 Cb 0.16 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 2qg3 h LEU 30 CO -0.00 -0.12 0.06 -0.07 -0.34 0.00 0.00 178.44 177.97 2qg3 h LEU 31 N -0.10 0.93 -0.21 2.25 3.38 -0.89 0.11 115.31 120.78 2qg3 h LEU 31 Ca 0.07 -0.28 0.05 0.00 0.09 0.00 0.00 57.88 57.81 2qg3 h LEU 31 Cb 0.20 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 2qg3 h LEU 31 CO -0.16 0.97 -0.10 0.44 0.09 0.00 0.00 178.44 179.68 2qg3 h ASP 32 N 0.85 -0.32 -0.39 -0.43 3.32 -0.91 -0.79 116.42 117.75 2qg3 h ASP 32 Ca 0.17 0.08 0.03 0.00 0.02 0.00 0.00 57.03 57.33 2qg3 h ASP 32 Cb 0.46 0.18 -0.03 0.00 0.22 0.00 0.00 39.33 40.16 2qg3 h ASP 32 CO 0.02 -0.13 0.19 0.25 -1.72 0.00 0.00 179.24 177.85 2qg3 h LEU 33 N -0.07 0.27 -0.44 1.55 5.85 0.12 -0.89 115.31 121.69 2qg3 h LEU 33 Ca 0.11 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.86 2qg3 h LEU 33 Cb 0.24 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 2qg3 h LEU 33 CO -0.26 0.20 0.29 0.40 -0.34 0.00 0.00 178.44 178.73 2qg3 h ILE 34 N 0.38 1.11 0.00 4.05 2.04 -0.62 -1.51 117.51 122.97 2qg3 h ILE 34 Ca 0.17 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.82 2qg3 h ILE 34 Cb 0.08 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 36.63 2qg3 h ILE 34 CO -0.12 0.11 0.00 0.78 0.00 0.00 0.00 178.15 178.91 2qg3 h ASN 35 N 0.60 0.00 0.76 1.72 2.35 -0.57 -2.28 115.58 118.16 2qg3 h ASN 35 Ca 0.16 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 2qg3 h ASN 35 Cb -0.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.30 2qg3 h ASN 35 CO -0.04 0.00 0.00 -1.54 -1.65 0.00 0.00 177.43 174.20 2qg3 n SER 36 N -2.56 0.00 -4.78 5.81 3.41 -0.39 -4.69 113.62 110.42 2qg3 n SER 36 Ca 0.01 0.24 -0.38 0.00 -0.26 0.00 0.00 58.87 58.47 2qg3 n SER 36 Cb 0.22 -0.41 -0.06 0.00 -0.26 0.00 0.00 64.21 63.70 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 -2.82 3.83 0.25 7.33 0.08 -0.86 -4.97 117.98 120.82 2qg3 s PHE 37 Ca 0.19 1.74 -0.03 0.00 0.12 0.00 0.00 56.93 58.95 2qg3 s PHE 37 Cb 0.18 -2.86 0.29 0.00 -0.57 0.00 0.00 43.02 40.06 2qg3 s PHE 37 CO 0.47 0.37 1.74 0.22 -0.10 0.00 0.00 175.22 177.92 2qg3 h ASP 38 N 3.76 0.80 -0.18 1.36 3.58 -1.88 -3.24 116.42 120.64 2qg3 h ASP 38 Ca -0.46 -0.20 0.00 0.00 0.42 0.00 0.00 57.03 56.78 2qg3 h ASP 38 Cb 1.20 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 42.03 2qg3 h ASP 38 CO 0.66 0.87 0.00 0.47 -2.88 0.00 0.00 179.24 178.37 2qg3 n ASP 39 N -4.20 1.85 -4.36 2.28 8.00 -1.26 -4.86 116.55 114.00 2qg3 n ASP 39 Ca 0.03 -1.73 -0.28 0.00 0.71 0.00 0.00 54.79 53.51 2qg3 n ASP 39 Cb 0.31 -0.11 -0.13 0.00 -0.02 0.00 0.00 41.12 41.17 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 -1.78 2.20 -0.05 1.24 0.08 -1.22 -0.12 117.98 118.32 2qg3 s PHE 40 Ca 0.33 -0.39 -0.02 0.00 0.12 0.00 0.00 56.93 56.97 2qg3 s PHE 40 Cb 0.18 -1.21 0.03 0.00 -0.57 0.00 0.00 43.02 41.45 2qg3 s PHE 40 CO 0.27 0.27 0.12 0.54 -0.10 0.00 0.00 175.22 176.32 2qg3 s VAL 41 N -1.03 -0.04 0.53 -0.44 0.11 0.01 -4.62 120.40 114.91 2qg3 s VAL 41 Ca 0.12 0.16 -0.21 0.00 -2.93 0.00 0.00 61.98 59.12 2qg3 s VAL 41 Cb -0.10 -0.19 -0.06 0.00 -1.53 0.00 0.00 36.38 34.50 2qg3 s VAL 41 CO 0.05 0.06 1.17 0.42 -3.33 0.00 0.00 175.10 173.47 2qg3 s THR 42 N 0.97 2.98 -0.06 5.04 -4.23 -1.26 -0.38 115.64 118.70 2qg3 s THR 42 Ca -0.08 0.65 0.02 0.00 -1.18 0.00 0.00 61.69 61.11 2qg3 s THR 42 Cb -0.10 -3.29 -0.05 0.00 1.34 0.00 0.00 72.50 70.40 2qg3 s THR 42 CO -0.04 -0.09 -0.03 0.18 -0.54 0.00 0.00 174.62 174.10 2qg3 n LEU 43 N -1.08 1.99 -3.59 4.79 4.77 0.04 -4.77 117.00 119.15 2qg3 n LEU 43 Ca 0.11 -0.02 -0.05 0.00 -0.03 0.00 0.00 56.01 56.01 2qg3 n LEU 43 Cb 0.49 -0.11 -0.02 0.00 -2.33 0.00 0.00 43.42 41.46 2qg3 n LEU 43 CO 0.45 0.45 0.98 -0.94 -1.33 0.00 0.00 177.39 176.99 2qg3 s SER 44 N -4.28 -0.16 -0.01 -1.43 1.04 -1.20 -5.00 113.70 102.66 2qg3 s SER 44 Ca -0.07 0.01 -0.28 0.00 0.48 0.00 0.00 55.95 56.09 2qg3 s SER 44 Cb 0.02 0.16 0.10 0.00 0.10 0.00 0.00 66.02 66.41 2qg3 s SER 44 CO 0.17 -0.26 0.86 -0.94 0.98 0.00 0.00 173.24 174.05 2qg3 s SER 45 N -2.16 -0.39 -0.12 7.02 1.04 -1.26 -0.74 113.70 117.09 2qg3 s SER 45 Ca 0.09 0.06 -0.08 0.00 0.48 0.00 0.00 55.95 56.50 2qg3 s SER 45 Cb -0.01 0.40 0.04 0.00 0.10 0.00 0.00 66.02 66.56 2qg3 s SER 45 CO -0.05 -0.63 0.30 0.00 0.98 0.00 0.00 173.24 173.84 2qg3 n SER 47 N 3.83 1.42 0.00 0.00 3.41 -1.26 -1.15 113.62 119.87 2qg3 n SER 47 Ca -0.21 -1.85 0.00 0.00 -0.26 0.00 0.00 58.87 56.55 2qg3 n SER 47 Cb 0.55 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.36 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 0.99 2.20 3.71 5.00 0.00 -1.26 -4.32 105.19 111.51 2qg3 n GLY 48 Ca 0.12 -1.68 -0.08 0.00 0.00 0.00 0.00 46.02 44.38 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 -4.35 1.62 -0.03 1.61 1.70 0.67 -4.60 118.95 115.57 2qg3 s ARG 49 Ca 0.00 -0.97 0.07 0.00 -0.47 0.00 0.00 55.73 54.36 2qg3 s ARG 49 Cb 0.00 0.57 -0.02 0.00 -0.57 0.00 0.00 34.95 34.93 2qg3 s ARG 49 CO 0.00 -0.72 -0.25 0.42 -1.08 0.00 0.00 175.30 173.67 2qg3 s ILE 50 N -3.91 1.97 0.06 4.99 1.01 -0.41 0.11 121.20 125.02 2qg3 s ILE 50 Ca 0.12 -1.05 0.00 0.00 0.00 0.00 0.00 60.65 59.72 2qg3 s ILE 50 Cb -0.04 -1.65 -0.04 0.00 0.01 0.00 0.00 42.46 40.75 2qg3 s ILE 50 CO 0.04 0.55 -0.05 0.00 0.00 0.00 0.00 174.94 175.49 2qg3 s ALA 51 N -0.41 0.59 -0.14 9.38 0.00 0.12 -0.43 121.76 130.87 2qg3 s ALA 51 Ca 0.04 -1.10 0.01 0.00 0.00 0.00 0.00 51.96 50.92 2qg3 s ALA 51 Cb -0.11 0.19 0.00 0.00 0.00 0.00 0.00 23.12 23.20 2qg3 s ALA 51 CO 0.01 -0.26 -0.18 0.08 0.00 0.00 0.00 175.76 175.41 2qg3 s VAL 52 N -3.15 2.45 -0.06 0.00 1.01 -0.01 -0.88 120.40 119.76 2qg3 s VAL 52 Ca 0.03 -0.85 0.03 0.00 0.00 0.00 0.00 61.98 61.19 2qg3 s VAL 52 Cb 0.02 -2.01 0.00 0.00 0.00 0.00 0.00 36.38 34.40 2qg3 s VAL 52 CO -0.06 0.53 -0.16 -0.69 0.00 0.00 0.00 175.10 174.72 2qg3 s VAL 53 N 0.74 1.38 -0.29 2.92 1.01 0.12 0.73 120.40 127.00 2qg3 s VAL 53 Ca -0.08 -0.65 -0.24 0.00 0.00 0.00 0.00 61.98 61.01 2qg3 s VAL 53 Cb -0.16 -1.21 0.00 0.00 0.00 0.00 0.00 36.38 35.01 2qg3 s VAL 53 CO 0.01 0.40 0.84 -0.62 0.00 0.00 0.00 175.10 175.73 2qg3 s ASP 54 N 0.33 6.74 -0.01 3.32 -1.08 0.64 0.25 116.67 126.86 2qg3 s ASP 54 Ca -0.10 0.81 0.02 0.00 -0.52 0.00 0.00 52.55 52.76 2qg3 s ASP 54 Cb -0.14 -2.43 -0.00 0.00 -1.46 0.00 0.00 42.92 38.88 2qg3 s ASP 54 CO 0.04 -0.63 -0.06 -0.76 0.52 0.00 0.00 175.17 174.27 2qg3 s LEU 55 N 3.03 1.94 0.00 -1.34 1.43 0.94 -1.61 118.68 123.07 2qg3 s LEU 55 Ca 0.35 -0.12 -0.25 0.00 -1.03 0.00 0.00 54.13 53.08 2qg3 s LEU 55 Cb -0.14 -0.35 -0.14 0.00 0.03 0.00 0.00 46.19 45.59 2qg3 s LEU 55 CO 0.12 0.07 1.03 -0.08 0.23 0.00 0.00 176.35 177.72 2qg3 h GLU 56 N 6.10 -0.80 -5.91 1.70 4.81 -1.84 -1.63 114.58 117.02 2qg3 h GLU 56 Ca -0.30 0.05 -0.53 0.00 -0.13 0.00 0.00 59.36 58.46 2qg3 h GLU 56 Cb 1.18 0.18 -0.16 0.00 0.63 0.00 0.00 28.75 30.59 2qg3 h GLU 56 CO 0.50 -0.51 -0.76 0.15 -0.73 0.00 0.00 179.01 177.65 2qg3 s LYS 57 N -4.43 1.42 0.33 1.92 3.01 -1.26 -4.72 119.74 116.00 2qg3 s LYS 57 Ca -0.13 -1.58 -0.29 0.00 -1.01 0.00 0.00 55.97 52.96 2qg3 s LYS 57 Cb 0.01 -1.40 -0.12 0.00 -1.01 0.00 0.00 37.83 35.32 2qg3 s LYS 57 CO 0.40 0.26 1.53 -0.35 0.51 0.00 0.00 175.35 177.70 2qg3 n PRO 58 N -0.21 2.63 -0.83 -1.68 -0.04 -1.26 -2.18 135.00 131.42 2qg3 n PRO 58 Ca -0.09 0.93 0.00 0.00 -0.04 0.00 0.00 63.50 64.30 2qg3 n PRO 58 Cb 0.59 -2.67 0.00 0.00 -0.04 0.00 0.00 33.50 31.38 2qg3 n PRO 58 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2qg3 n GLY 59 N 1.43 0.48 3.41 0.55 0.00 -1.26 -4.91 105.19 104.89 2qg3 n GLY 59 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.11 4.84 0.27 1.61 2.03 -0.93 -4.74 116.55 119.51 2qg3 n ASP 60 Ca 0.00 -2.92 0.11 0.00 0.52 0.00 0.00 54.79 52.49 2qg3 n ASP 60 Cb 0.06 -1.70 0.73 0.00 -0.72 0.00 0.00 41.12 39.48 2qg3 n ASP 60 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 2qg3 h LYS 61 N 7.21 0.00 0.00 -0.67 3.11 -1.91 -2.27 116.57 122.04 2qg3 h LYS 61 Ca 0.44 0.00 -0.05 0.00 -2.81 0.00 0.00 60.65 58.24 2qg3 h LYS 61 Cb 0.83 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.05 2qg3 h LYS 61 CO 1.49 0.06 -0.23 0.00 -2.81 0.00 0.00 179.45 177.96 2qg3 h ALA 62 N 1.94 1.38 -0.00 5.00 0.00 -1.98 -2.77 119.26 122.82 2qg3 h ALA 62 Ca -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2qg3 h ALA 62 Cb 0.13 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2qg3 h ALA 62 CO 0.01 0.29 -0.49 -1.13 0.00 0.00 0.00 179.25 177.93 2qg3 n SER 63 N -3.91 0.90 -4.75 0.00 3.41 -0.86 -5.01 113.62 103.39 2qg3 n SER 63 Ca -0.02 -0.70 -0.41 0.00 -0.26 0.00 0.00 58.87 57.48 2qg3 n SER 63 Cb 0.32 0.34 -0.03 0.00 -0.26 0.00 0.00 64.21 64.58 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 -2.78 6.78 -0.03 4.04 1.04 -1.05 -4.60 113.70 117.10 2qg3 s SER 64 Ca 0.16 2.57 -0.00 0.00 0.48 0.00 0.00 55.95 59.15 2qg3 s SER 64 Cb 0.18 -2.62 0.03 0.00 0.10 0.00 0.00 66.02 63.70 2qg3 s SER 64 CO 0.65 -0.59 0.03 -0.76 0.98 0.00 0.00 173.24 173.55 2qg3 s LEU 65 N -0.64 0.91 -0.05 2.42 1.43 -0.64 -4.97 118.68 117.13 2qg3 s LEU 65 Ca 0.56 0.03 -0.30 0.00 -1.03 0.00 0.00 54.13 53.38 2qg3 s LEU 65 Cb -0.39 -0.13 -0.04 0.00 0.03 0.00 0.00 46.19 45.65 2qg3 s LEU 65 CO 0.44 -0.15 1.42 -0.36 0.23 0.00 0.00 176.35 177.93 2qg3 s PHE 66 N 1.30 2.67 -0.10 0.29 0.40 -1.26 -0.26 117.98 121.01 2qg3 s PHE 66 Ca -0.06 0.74 0.16 0.00 -0.60 0.00 0.00 56.93 57.16 2qg3 s PHE 66 Cb -0.13 -3.67 -0.22 0.00 0.51 0.00 0.00 43.02 39.51 2qg3 s PHE 66 CO -0.03 -2.53 0.55 1.28 0.70 0.00 0.00 175.22 175.19 2qg3 n LEU 67 N 6.04 0.61 -3.52 -0.37 4.77 0.22 -4.92 117.00 119.83 2qg3 n LEU 67 Ca 0.14 0.28 -0.13 0.00 -0.03 0.00 0.00 56.01 56.28 2qg3 n LEU 67 Cb 0.44 0.22 -0.04 0.00 -2.33 0.00 0.00 43.42 41.70 2qg3 n LEU 67 CO 0.59 0.33 0.60 -0.83 -1.33 0.00 0.00 177.39 176.75 2qg3 s GLY 68 N -5.09 -0.45 -0.18 -0.72 0.00 -0.86 -4.76 107.32 95.25 2qg3 s GLY 68 Ca -0.06 1.39 -0.12 0.00 0.00 0.00 0.00 44.72 45.94 2qg3 s GLY 68 CO 0.83 0.75 0.45 1.25 0.00 0.00 0.00 173.10 176.38 2qg3 s LYS 69 N -1.89 0.46 -0.02 2.90 2.47 -1.26 -0.83 119.74 121.57 2qg3 s LYS 69 Ca -0.03 0.80 0.01 0.00 -1.56 0.00 0.00 55.97 55.19 2qg3 s LYS 69 Cb -0.00 0.07 0.02 0.00 -1.46 0.00 0.00 37.83 36.45 2qg3 s LYS 69 CO 0.00 -0.13 -0.02 -1.58 0.16 0.00 0.00 175.35 173.78 2qg3 s TRP 70 N 1.13 0.41 -1.23 4.03 0.51 0.42 -5.00 118.94 119.21 2qg3 s TRP 70 Ca -0.07 -0.06 0.26 0.00 -2.12 0.00 0.00 56.10 54.11 2qg3 s TRP 70 Cb -0.07 -0.39 0.66 0.00 -0.81 0.00 0.00 33.47 32.86 2qg3 s TRP 70 CO -0.10 -0.10 1.51 0.72 -0.51 0.00 0.00 176.95 178.48 2qg3 n HIS 71 N 3.72 0.00 -4.48 -1.98 8.25 -1.26 -1.28 115.22 118.18 2qg3 n HIS 71 Ca -0.22 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.00 2qg3 n HIS 71 Cb 0.53 -0.23 -0.09 0.00 1.12 0.00 0.00 29.99 31.32 2qg3 n HIS 71 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2qg3 s GLU 72 N -2.84 1.81 0.34 -0.41 8.01 -1.26 -4.80 118.70 119.55 2qg3 s GLU 72 Ca 0.16 -2.07 -0.25 0.00 0.01 0.00 0.00 54.97 52.81 2qg3 s GLU 72 Cb 0.18 -0.65 -0.14 0.00 -4.31 0.00 0.00 34.13 29.21 2qg3 s GLU 72 CO 0.63 -0.38 0.75 0.41 0.01 0.00 0.00 175.26 176.68 2qg3 n GLY 73 N -0.81 -0.96 3.21 -1.39 0.00 -1.26 -4.84 105.19 99.13 2qg3 n GLY 73 Ca -0.04 0.20 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.23 1.52 0.36 1.61 0.11 -1.26 -5.11 120.40 116.39 2qg3 s VAL 74 Ca 0.62 -1.03 -0.26 0.00 -2.93 0.00 0.00 61.98 58.37 2qg3 s VAL 74 Cb -0.68 -1.31 -0.09 0.00 -1.53 0.00 0.00 36.38 32.77 2qg3 s VAL 74 CO 0.58 0.25 1.11 -1.61 -3.33 0.00 0.00 175.10 172.10 2qg3 s GLU 75 N -0.93 4.30 0.40 1.54 0.41 -1.26 -4.91 118.70 118.25 2qg3 s GLU 75 Ca 0.07 1.74 0.14 0.00 -0.41 0.00 0.00 54.97 56.50 2qg3 s GLU 75 Cb -0.08 -2.82 0.98 0.00 -1.78 0.00 0.00 34.13 30.43 2qg3 s GLU 75 CO 0.01 -0.08 1.87 0.28 -0.49 0.00 0.00 175.26 176.85 2qg3 h VAL 76 N 2.57 0.75 -0.80 2.63 2.07 -1.96 -1.30 116.25 120.22 2qg3 h VAL 76 Ca -0.48 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 66.86 2qg3 h VAL 76 Cb 1.22 0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 31.15 2qg3 h VAL 76 CO 0.64 0.09 0.46 -1.28 0.02 0.00 0.00 177.57 177.50 2qg3 h SER 77 N 0.51 0.97 -0.66 0.57 0.87 -2.00 -1.56 113.55 112.26 2qg3 h SER 77 Ca 0.45 -0.08 0.01 0.00 -1.23 0.00 0.00 61.79 60.94 2qg3 h SER 77 Cb 0.95 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 62.63 2qg3 h SER 77 CO -0.18 0.77 0.43 -0.33 -0.53 0.00 0.00 176.83 176.99 2qg3 h GLU 78 N 1.10 0.86 -0.41 2.24 5.08 -1.62 -2.24 114.58 119.58 2qg3 h GLU 78 Ca 0.28 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.55 2qg3 h GLU 78 Cb -0.01 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.03 2qg3 h GLU 78 CO -0.05 0.57 0.08 0.28 -1.00 0.00 0.00 179.01 178.88 2qg3 h VAL 79 N 0.88 1.24 -0.51 3.13 2.07 -1.20 -2.47 116.25 119.39 2qg3 h VAL 79 Ca 0.24 -0.85 -0.03 0.00 0.82 0.00 0.00 66.70 66.88 2qg3 h VAL 79 Cb -0.09 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 2qg3 h VAL 79 CO -0.06 0.29 0.19 0.00 0.02 0.00 0.00 177.57 178.02 2qg3 h ALA 80 N 0.94 0.67 -0.36 1.67 0.00 -1.23 -1.69 119.26 119.25 2qg3 h ALA 80 Ca 0.13 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 54.95 2qg3 h ALA 80 Cb 0.36 -0.20 -0.07 0.00 0.00 0.00 0.00 17.79 17.88 2qg3 h ALA 80 CO 0.01 0.29 -0.12 1.49 0.00 0.00 0.00 179.25 180.92 2qg3 h GLU 81 N 0.69 -0.04 0.01 0.00 4.81 -1.33 0.11 114.58 118.83 2qg3 h GLU 81 Ca 0.17 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 2qg3 h GLU 81 Cb 0.22 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.60 2qg3 h GLU 81 CO -0.01 -0.02 -0.02 0.00 -0.73 0.00 0.00 179.01 178.22 2qg3 h ALA 82 N 1.30 -0.03 -0.66 2.92 0.00 -1.35 -3.10 119.26 118.34 2qg3 h ALA 82 Ca 0.18 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.10 2qg3 h ALA 82 Cb 0.30 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2qg3 h ALA 82 CO -0.39 -0.52 0.44 0.00 0.00 0.00 0.00 179.25 178.78 2qg3 h ALA 83 N 0.94 1.55 0.00 0.00 0.00 -0.83 -0.76 119.26 120.17 2qg3 h ALA 83 Ca 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2qg3 h ALA 83 Cb 0.05 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.59 2qg3 h ALA 83 CO -0.02 0.40 0.00 1.28 0.00 0.00 0.00 179.25 180.92 2qg3 n LEU 84 N -4.44 0.53 -0.60 0.00 4.77 0.34 -1.45 117.00 116.15 2qg3 n LEU 84 Ca 0.07 0.65 0.13 0.00 -0.03 0.00 0.00 56.01 56.82 2qg3 n LEU 84 Cb 0.06 -0.59 0.41 0.00 -2.33 0.00 0.00 43.42 40.97 2qg3 n LEU 84 CO 0.36 -0.55 0.80 0.54 -1.33 0.00 0.00 177.39 177.21 2qg3 n ARG 85 N -2.10 1.81 -1.89 3.23 1.74 -0.29 -4.33 116.66 114.83 2qg3 n ARG 85 Ca 0.02 -1.20 -0.40 0.00 -0.77 0.00 0.00 57.85 55.50 2qg3 n ARG 85 Cb 0.19 -1.45 0.00 0.00 -1.02 0.00 0.00 32.46 30.18 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 -1.84 6.21 -0.00 0.55 1.04 -0.53 -4.83 113.70 114.30 2qg3 s SER 86 Ca 0.35 2.88 0.17 0.00 0.48 0.00 0.00 55.95 59.83 2qg3 s SER 86 Cb 0.20 -2.65 -0.19 0.00 0.10 0.00 0.00 66.02 63.47 2qg3 s SER 86 CO 0.31 -0.95 0.67 0.54 0.98 0.00 0.00 173.24 174.79 2qg3 n ARG 87 N 0.18 1.40 0.00 4.02 3.00 -1.26 -0.90 116.66 123.10 2qg3 n ARG 87 Ca 0.03 -0.02 0.00 0.00 -0.01 0.00 0.00 57.85 57.85 2qg3 n ARG 87 Cb 0.41 -1.30 0.00 0.00 0.00 0.00 0.00 32.46 31.58 2qg3 n ARG 87 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2qg3 n LYS 88 N -1.47 0.06 -3.77 5.56 5.02 -1.26 -4.45 118.16 117.85 2qg3 n LYS 88 Ca 0.02 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.95 2qg3 n LYS 88 Cb 0.28 0.00 -0.12 0.00 -0.02 0.00 0.00 35.03 35.17 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 3.96 4.61 -0.06 -0.18 1.01 -0.61 -0.06 120.40 129.07 2qg3 s VAL 89 Ca 0.00 -0.07 -0.28 0.00 0.00 0.00 0.00 61.98 61.62 2qg3 s VAL 89 Cb 0.00 -3.15 -0.02 0.00 0.00 0.00 0.00 36.38 33.20 2qg3 s VAL 89 CO 0.00 0.34 0.92 0.00 0.00 0.00 0.00 175.10 176.36 2qg3 s ALA 90 N 1.43 3.30 -0.10 5.51 0.00 0.61 -0.04 121.76 132.45 2qg3 s ALA 90 Ca 0.06 0.37 0.01 0.00 0.00 0.00 0.00 51.96 52.39 2qg3 s ALA 90 Cb -0.15 -3.29 -0.02 0.00 0.00 0.00 0.00 23.12 19.67 2qg3 s ALA 90 CO 0.05 -0.36 -0.13 -1.58 0.00 0.00 0.00 175.76 173.75 2qg3 s TRP 91 N 1.37 2.80 -0.21 0.00 0.52 0.14 -0.65 118.94 122.90 2qg3 s TRP 91 Ca 0.47 -0.43 -0.22 0.00 0.02 0.00 0.00 56.10 55.94 2qg3 s TRP 91 Cb -0.19 -1.77 -0.02 0.00 -1.15 0.00 0.00 33.47 30.34 2qg3 s TRP 91 CO 0.22 -0.04 0.71 -1.17 0.02 0.00 0.00 176.95 176.68 2qg3 s LEU 92 N -0.06 4.12 -0.06 2.99 2.96 -0.10 -0.70 118.68 127.84 2qg3 s LEU 92 Ca -0.02 0.91 0.02 0.00 -0.22 0.00 0.00 54.13 54.82 2qg3 s LEU 92 Cb -0.14 -3.00 0.02 0.00 0.50 0.00 0.00 46.19 43.56 2qg3 s LEU 92 CO 0.04 -0.36 -0.08 -0.63 -1.32 0.00 0.00 176.35 173.99 2qg3 s ILE 93 N 2.24 0.84 -0.24 6.68 1.01 -0.06 -1.40 121.20 130.27 2qg3 s ILE 93 Ca 0.31 -0.30 -0.06 0.00 0.00 0.00 0.00 60.65 60.60 2qg3 s ILE 93 Cb -0.16 -0.81 -0.02 0.00 0.01 0.00 0.00 42.46 41.48 2qg3 s ILE 93 CO 0.10 0.29 0.04 -1.58 0.00 0.00 0.00 174.94 173.79 2qg3 s GLN 94 N 0.83 3.59 -0.24 2.79 -0.44 -0.47 0.13 119.66 125.85 2qg3 s GLN 94 Ca -0.12 -0.51 -0.09 0.00 -2.50 0.00 0.00 55.36 52.14 2qg3 s GLN 94 Cb -0.15 -3.24 -0.04 0.00 -1.64 0.00 0.00 33.01 27.94 2qg3 s GLN 94 CO 0.01 -0.18 0.12 0.71 0.50 0.00 0.00 175.29 176.45 2qg3 s TYR 95 N 1.55 3.19 0.86 1.67 1.51 0.31 -4.14 117.35 122.30 2qg3 s TYR 95 Ca 0.06 -0.06 -0.12 0.00 -1.01 0.00 0.00 57.07 55.94 2qg3 s TYR 95 Cb -0.15 -2.25 0.11 0.00 -0.11 0.00 0.00 41.96 39.56 2qg3 s TYR 95 CO 0.02 -0.13 1.14 -1.25 -1.11 0.00 0.00 175.55 174.22 2qg3 s PRO 96 N 1.32 1.58 0.45 -1.71 0.04 -1.26 -0.24 135.00 135.19 2qg3 s PRO 96 Ca 0.06 0.30 -0.25 0.00 0.04 0.00 0.00 61.00 61.14 2qg3 s PRO 96 Cb -0.15 -1.89 -0.08 0.00 0.04 0.00 0.00 34.50 32.42 2qg3 s PRO 96 CO 0.05 -1.89 1.44 -2.14 0.04 0.00 0.00 177.00 174.50 2qg3 s PRO 97 N -5.35 3.67 -0.07 0.56 0.02 -1.26 -4.25 135.00 128.33 2qg3 s PRO 97 Ca 0.63 2.45 -0.03 0.00 0.02 0.00 0.00 61.00 64.07 2qg3 s PRO 97 Cb -0.13 -2.65 0.04 0.00 0.02 0.00 0.00 34.50 31.77 2qg3 s PRO 97 CO 0.52 -0.84 0.13 -1.50 -0.33 0.00 0.00 177.00 174.98 2qg3 s ILE 98 N -1.19 -0.12 -0.05 2.83 2.07 -0.30 -4.17 121.20 120.27 2qg3 s ILE 98 Ca 0.61 0.25 0.05 0.00 -1.41 0.00 0.00 60.65 60.15 2qg3 s ILE 98 Cb -0.44 -0.24 -0.00 0.00 0.13 0.00 0.00 42.46 41.91 2qg3 s ILE 98 CO 0.57 0.11 -0.19 -0.63 -1.91 0.00 0.00 174.94 172.89 2qg3 s ILE 99 N 1.58 1.56 -0.14 2.00 1.01 -0.05 -0.67 121.20 126.49 2qg3 s ILE 99 Ca -0.04 -0.79 -0.01 0.00 0.00 0.00 0.00 60.65 59.80 2qg3 s ILE 99 Cb -0.12 -1.34 -0.02 0.00 0.01 0.00 0.00 42.46 40.99 2qg3 s ILE 99 CO -0.05 0.45 -0.10 -1.00 0.00 0.00 0.00 174.94 174.23 2qg3 s HIS 100 N 0.03 2.88 -0.06 3.97 3.76 0.08 0.04 115.29 125.99 2qg3 s HIS 100 Ca -0.05 -0.54 0.00 0.00 -0.15 0.00 0.00 55.06 54.32 2qg3 s HIS 100 Cb -0.12 -1.88 0.02 0.00 1.11 0.00 0.00 32.58 31.71 2qg3 s HIS 100 CO 0.03 -0.16 -0.03 0.08 -0.85 0.00 0.00 174.74 173.80 2qg3 s VAL 101 N 0.37 0.52 0.20 -0.90 1.01 -0.69 -0.78 120.40 120.13 2qg3 s VAL 101 Ca -0.09 -0.04 -0.26 0.00 0.00 0.00 0.00 61.98 61.59 2qg3 s VAL 101 Cb -0.15 -0.59 -0.08 0.00 0.00 0.00 0.00 36.38 35.55 2qg3 s VAL 101 CO 0.05 0.25 0.82 0.00 0.00 0.00 0.00 175.10 176.22 2qg3 s ALA 102 N 1.38 3.40 0.05 5.51 0.00 0.49 -0.05 121.76 132.54 2qg3 s ALA 102 Ca -0.04 0.42 0.07 0.00 0.00 0.00 0.00 51.96 52.41 2qg3 s ALA 102 Cb -0.13 -3.02 -0.03 0.00 0.00 0.00 0.00 23.12 19.94 2qg3 s ALA 102 CO -0.03 0.27 -0.21 0.00 0.00 0.00 0.00 175.76 175.80 2qg3 h ARG 104 N 4.73 0.45 -4.01 0.00 2.43 -0.82 -3.36 114.38 113.81 2qg3 h ARG 104 Ca -0.43 -0.26 -0.21 0.00 -0.81 0.00 0.00 59.98 58.27 2qg3 h ARG 104 Cb 1.16 0.02 -0.09 0.00 -0.42 0.00 0.00 29.97 30.65 2qg3 h ARG 104 CO 0.43 0.85 -0.20 0.54 -1.51 0.00 0.00 179.97 180.08 2qg3 s ASN 105 N -6.89 0.55 0.27 -3.80 2.20 -1.26 -4.99 114.94 101.03 2qg3 s ASN 105 Ca -0.06 -1.32 -0.03 0.00 -0.94 0.00 0.00 52.86 50.51 2qg3 s ASN 105 Cb 0.12 0.62 0.36 0.00 -2.00 0.00 0.00 41.25 40.35 2qg3 s ASN 105 CO 0.82 -1.23 1.85 -0.29 -2.94 0.00 0.00 177.10 175.32 2qg3 h ILE 106 N 2.19 1.23 -0.86 0.54 2.10 -1.99 -1.96 117.51 118.75 2qg3 h ILE 106 Ca -0.28 -0.70 -0.02 0.00 1.08 0.00 0.00 64.86 64.94 2qg3 h ILE 106 Cb 1.24 0.41 -0.04 0.00 -1.09 0.00 0.00 36.82 37.34 2qg3 h ILE 106 CO 0.39 0.28 0.46 1.23 -1.08 0.00 0.00 178.15 179.44 2qg3 h GLY 107 N 1.05 1.29 1.00 8.18 0.00 -1.99 -1.53 103.07 111.07 2qg3 h GLY 107 Ca 0.23 -0.59 -0.07 0.00 0.00 0.00 0.00 47.33 46.90 2qg3 h GLY 107 CO -0.02 0.57 0.06 0.00 0.00 0.00 0.00 176.54 177.15 2qg3 h ALA 108 N 1.25 0.69 -0.39 3.60 0.00 -1.83 -1.00 119.26 121.58 2qg3 h ALA 108 Ca 0.30 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.99 2qg3 h ALA 108 Cb 0.04 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 2qg3 h ALA 108 CO -0.05 0.45 0.18 0.00 0.00 0.00 0.00 179.25 179.84 2qg3 h ALA 109 N 0.97 0.48 -0.78 0.00 0.00 -1.10 -1.82 119.26 117.02 2qg3 h ALA 109 Ca 0.16 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 2qg3 h ALA 109 Cb 0.43 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 2qg3 h ALA 109 CO 0.01 -0.18 0.31 0.87 0.00 0.00 0.00 179.25 180.26 2qg3 h LYS 110 N 0.38 1.16 -0.12 0.00 1.57 -1.09 -2.78 116.57 115.69 2qg3 h LYS 110 Ca 0.17 -0.21 0.01 0.00 -1.87 0.00 0.00 60.65 58.75 2qg3 h LYS 110 Cb 0.09 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 2qg3 h LYS 110 CO -0.13 0.94 0.02 1.25 -0.57 0.00 0.00 179.45 180.96 2qg3 h LEU 111 N 1.13 0.00 -1.72 2.94 5.85 -0.94 -1.29 115.31 121.28 2qg3 h LEU 111 Ca 0.26 0.02 0.00 0.00 0.84 0.00 0.00 57.88 59.00 2qg3 h LEU 111 Cb 0.21 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.26 2qg3 h LEU 111 CO -0.02 0.02 0.00 -0.11 -0.34 0.00 0.00 178.44 177.99 2qg3 n LEU 112 N -5.09 0.95 0.00 2.25 7.94 -0.71 -1.68 117.00 120.67 2qg3 n LEU 112 Ca -0.04 -0.48 0.00 0.00 -1.11 0.00 0.00 56.01 54.38 2qg3 n LEU 112 Cb 0.06 -0.20 0.00 0.00 0.53 0.00 0.00 43.42 43.82 2qg3 n LEU 112 CO 0.30 0.17 0.00 -3.20 -1.11 0.00 0.00 177.39 173.55 2qg3 n ASN 114 N 0.67 0.00 -0.21 1.96 2.85 -0.49 -1.16 115.26 118.88 2qg3 n ASN 114 Ca 0.00 0.00 -0.06 0.00 -0.11 0.00 0.00 54.58 54.41 2qg3 n ASN 114 Cb 0.17 0.00 0.03 0.00 1.24 0.00 0.00 39.78 41.22 2qg3 n ASN 114 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2qg3 h ALA 115 N 0.00 0.76 -0.54 5.20 0.00 -1.58 0.08 119.26 123.18 2qg3 h ALA 115 Ca 0.00 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.85 2qg3 h ALA 115 Cb 0.00 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 2qg3 h ALA 115 CO 0.00 0.23 0.35 0.00 0.00 0.00 0.00 179.25 179.83 2qg3 h ALA 116 N 1.19 0.69 -0.51 0.00 0.00 -1.41 -0.67 119.26 118.54 2qg3 h ALA 116 Ca 0.21 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 2qg3 h ALA 116 Cb -0.03 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2qg3 h ALA 116 CO -0.04 0.10 0.17 -0.91 0.00 0.00 0.00 179.25 178.57 2qg3 h ASN 117 N 0.71 0.73 -0.84 0.00 2.35 -1.66 -1.50 115.58 115.36 2qg3 h ASN 117 Ca 0.20 -0.20 0.14 0.00 -0.55 0.00 0.00 56.30 55.90 2qg3 h ASN 117 Cb -0.05 -0.19 -0.06 0.00 0.05 0.00 0.00 38.32 38.06 2qg3 h ASN 117 CO -0.06 0.73 0.55 0.74 -1.65 0.00 0.00 177.43 177.74 2qg3 h THR 118 N 0.69 0.84 0.00 2.81 2.02 -0.47 -1.58 112.91 117.22 2qg3 h THR 118 Ca 0.17 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 67.13 2qg3 h THR 118 Cb 0.25 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 66.82 2qg3 h THR 118 CO -0.01 0.11 0.00 0.00 0.37 0.00 0.00 175.52 176.00 2qg3 h ALA 119 N 1.61 1.00 0.00 6.16 0.00 -0.38 -3.47 119.26 124.18 2qg3 h ALA 119 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.33 2qg3 h ALA 119 Cb 0.72 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2qg3 h ALA 119 CO -0.17 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.49 2qg3 n GLY 120 N 0.79 1.16 3.52 0.00 0.00 -0.59 -4.63 105.19 105.43 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 2.74 0.95 1.61 0.08 -0.64 -4.99 117.98 115.73 2qg3 s PHE 121 Ca 0.00 -1.01 -0.12 0.00 0.12 0.00 0.00 56.93 55.92 2qg3 s PHE 121 Cb 0.00 -4.54 0.16 0.00 -0.57 0.00 0.00 43.02 38.07 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 4.17 0.83 -1.41 0.44 1.70 -1.26 -3.66 118.95 119.75 2qg3 s ARG 122 Ca 0.40 0.72 0.00 0.00 -0.47 0.00 0.00 55.73 56.38 2qg3 s ARG 122 Cb -0.02 -1.77 0.00 0.00 -0.57 0.00 0.00 34.95 32.59 2qg3 s ARG 122 CO -0.09 -2.51 0.00 0.54 -1.08 0.00 0.00 175.30 172.17 2qg3 n ARG 123 N -4.05 -1.06 -3.21 3.89 1.74 -1.26 -4.24 116.66 108.48 2qg3 n ARG 123 Ca 0.06 0.89 -0.39 0.00 -0.77 0.00 0.00 57.85 57.64 2qg3 n ARG 123 Cb 0.56 -5.07 -0.06 0.00 -1.02 0.00 0.00 32.46 26.87 2qg3 n ARG 123 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2qg3 s SER 124 N -2.66 7.02 0.15 0.55 1.04 -1.24 -4.29 113.70 114.26 2qg3 s SER 124 Ca 0.00 1.21 -0.24 0.00 0.48 0.00 0.00 55.95 57.40 2qg3 s SER 124 Cb 0.00 -2.37 0.07 0.00 0.10 0.00 0.00 66.02 63.82 2qg3 s SER 124 CO 0.00 0.14 0.73 -0.83 0.98 0.00 0.00 173.24 174.26 2qg3 s GLY 125 N -0.43 -0.44 -0.40 7.32 0.00 -0.74 -4.99 107.32 107.64 2qg3 s GLY 125 Ca 0.31 0.41 -0.27 0.00 0.00 0.00 0.00 44.72 45.17 2qg3 s GLY 125 CO 0.18 0.13 1.03 0.14 0.00 0.00 0.00 173.10 174.58 2qg3 s VAL 126 N -3.59 4.44 -0.94 1.40 1.01 -1.26 0.10 120.40 121.56 2qg3 s VAL 126 Ca 0.05 1.28 0.23 0.00 0.00 0.00 0.00 61.98 63.53 2qg3 s VAL 126 Cb -0.02 -4.45 -0.14 0.00 0.00 0.00 0.00 36.38 31.77 2qg3 s VAL 126 CO -0.07 -0.70 1.07 2.30 0.00 0.00 0.00 175.10 177.70 2qg3 n ILE 127 N 6.27 0.02 -3.63 2.22 -5.35 0.00 -4.70 119.36 114.18 2qg3 n ILE 127 Ca 0.10 -0.04 -0.13 0.00 -0.27 0.00 0.00 62.75 62.41 2qg3 n ILE 127 Cb 0.48 0.65 -0.12 0.00 -1.74 0.00 0.00 39.64 38.91 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 -3.13 0.34 0.39 7.28 0.15 -1.21 -5.00 113.70 112.52 2qg3 s SER 128 Ca 0.08 0.57 0.18 0.00 0.70 0.00 0.00 55.95 57.49 2qg3 s SER 128 Cb 0.16 0.79 0.77 0.00 -1.71 0.00 0.00 66.02 66.03 2qg3 s SER 128 CO 0.81 -0.25 1.79 -0.07 1.20 0.00 0.00 173.24 176.72 2qg3 h LEU 129 N 8.27 0.00 -0.12 3.45 3.38 -1.89 -0.56 115.31 127.84 2qg3 h LEU 129 Ca -0.15 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.83 2qg3 h LEU 129 Cb 1.12 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 2qg3 h LEU 129 CO 0.15 0.35 -0.07 -1.28 0.09 0.00 0.00 178.44 177.68 2qg3 h SER 130 N 0.00 -0.27 -1.05 -0.43 0.87 -1.98 -2.32 113.55 108.37 2qg3 h SER 130 Ca -0.00 0.04 -0.61 0.00 -1.23 0.00 0.00 61.79 59.99 2qg3 h SER 130 Cb 0.80 0.12 -0.38 0.00 -0.44 0.00 0.00 62.40 62.50 2qg3 h SER 130 CO 0.05 -0.03 -0.16 0.59 -0.53 0.00 0.00 176.83 176.74 2qg3 n ASN 131 N -3.27 5.90 -3.95 6.23 5.03 -1.26 -4.96 115.26 118.99 2qg3 n ASN 131 Ca 0.00 -3.76 -0.31 0.00 0.87 0.00 0.00 54.58 51.37 2qg3 n ASN 131 Cb 0.03 -0.60 -0.00 0.00 -1.02 0.00 0.00 39.78 38.19 2qg3 n ASN 131 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 2qg3 n TYR 132 N -0.72 -0.95 -2.46 3.10 4.01 -0.88 -2.23 117.16 117.05 2qg3 n TYR 132 Ca 0.49 0.11 -0.43 0.00 -0.16 0.00 0.00 57.90 57.91 2qg3 n TYR 132 Cb 0.77 -1.95 -0.02 0.00 -0.31 0.00 0.00 39.34 37.83 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 -3.97 4.09 -0.12 -0.72 1.01 -0.23 -2.49 120.40 117.97 2qg3 s VAL 133 Ca 0.28 1.15 -0.19 0.00 0.00 0.00 0.00 61.98 63.22 2qg3 s VAL 133 Cb -0.16 -4.32 -0.04 0.00 0.00 0.00 0.00 36.38 31.86 2qg3 s VAL 133 CO 0.69 -0.74 0.51 -0.69 0.00 0.00 0.00 175.10 174.88 2qg3 s VAL 134 N 4.78 5.16 -0.22 2.92 1.01 0.92 -0.82 120.40 134.15 2qg3 s VAL 134 Ca 0.55 1.03 -0.15 0.00 0.00 0.00 0.00 61.98 63.42 2qg3 s VAL 134 Cb -0.12 -3.85 -0.04 0.00 0.00 0.00 0.00 36.38 32.36 2qg3 s VAL 134 CO 0.29 0.31 0.34 -0.70 0.00 0.00 0.00 175.10 175.34 2qg3 s GLU 135 N 0.71 4.12 -0.26 2.72 2.12 0.12 -1.70 118.70 126.52 2qg3 s GLU 135 Ca 0.28 0.07 -0.08 0.00 0.36 0.00 0.00 54.97 55.60 2qg3 s GLU 135 Cb -0.15 -3.56 -0.02 0.00 0.26 0.00 0.00 34.13 30.65 2qg3 s GLU 135 CO 0.11 -0.07 0.08 0.42 -0.54 0.00 0.00 175.26 175.26 2qg3 s ILE 136 N 1.43 4.32 0.34 -3.70 1.01 0.11 -1.79 121.20 122.93 2qg3 s ILE 136 Ca 0.16 -0.24 -0.17 0.00 0.00 0.00 0.00 60.65 60.39 2qg3 s ILE 136 Cb -0.15 -3.06 0.06 0.00 0.01 0.00 0.00 42.46 39.32 2qg3 s ILE 136 CO 0.08 0.28 0.83 0.00 0.00 0.00 0.00 174.94 176.13 2qg3 s ALA 137 N 1.61 -0.92 0.26 9.38 0.00 -1.26 -0.87 121.76 129.96 2qg3 s ALA 137 Ca 0.06 -0.65 -0.02 0.00 0.00 0.00 0.00 51.96 51.35 2qg3 s ALA 137 Cb -0.15 0.70 -0.02 0.00 0.00 0.00 0.00 23.12 23.64 2qg3 s ALA 137 CO 0.04 -1.00 0.29 -1.12 0.00 0.00 0.00 175.76 173.97 2qg3 s SER 138 N -3.12 0.57 0.03 0.00 0.01 -1.26 -4.21 113.70 105.73 2qg3 s SER 138 Ca 0.16 -1.40 -0.30 0.00 1.31 0.00 0.00 55.95 55.72 2qg3 s SER 138 Cb -0.05 0.51 -0.05 0.00 0.21 0.00 0.00 66.02 66.64 2qg3 s SER 138 CO 0.10 -1.03 1.19 -1.48 0.41 0.00 0.00 173.24 172.42 2qg3 s LEU 139 N -3.19 4.35 -0.59 2.44 -0.00 -1.26 -4.91 118.68 115.52 2qg3 s LEU 139 Ca 0.35 1.95 0.02 0.00 -0.00 0.00 0.00 54.13 56.45 2qg3 s LEU 139 Cb 0.03 -3.57 0.40 0.00 -0.00 0.00 0.00 46.19 43.05 2qg3 s LEU 139 CO 0.16 -0.48 1.48 -0.62 -0.00 0.00 0.00 176.35 176.90 2qg3 n GLU 140 N 4.19 3.17 -2.93 1.48 1.02 -1.26 -4.82 120.64 121.48 2qg3 n GLU 140 Ca 0.09 -4.09 -0.12 0.00 -0.02 0.00 0.00 57.16 53.02 2qg3 n GLU 140 Cb 0.47 -2.26 -0.01 0.00 -0.02 0.00 0.00 31.44 29.62 2qg3 n GLU 140 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2qg3 n ARG 141 N -0.53 0.56 -2.85 3.49 1.74 -1.26 -4.87 116.66 112.94 2qg3 n ARG 141 Ca 0.46 -2.31 -0.42 0.00 -0.77 0.00 0.00 57.85 54.80 2qg3 n ARG 141 Cb 0.52 -1.47 -0.04 0.00 -1.02 0.00 0.00 32.46 30.45 2qg3 n ARG 141 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2qg3 s ILE 142 N 0.41 4.74 -0.28 0.55 1.01 -1.26 -5.02 121.20 121.36 2qg3 s ILE 142 Ca 0.32 1.47 0.01 0.00 0.00 0.00 0.00 60.65 62.44 2qg3 s ILE 142 Cb 0.09 -4.20 0.16 0.00 0.01 0.00 0.00 42.46 38.52 2qg3 s ILE 142 CO -0.14 -0.24 0.46 -0.70 0.00 0.00 0.00 174.94 174.32 2qg3 s GLU 143 N 3.08 0.44 -0.01 2.79 2.12 -1.24 -1.37 118.70 124.49 2qg3 s GLU 143 Ca 0.36 0.46 -0.11 0.00 0.36 0.00 0.00 54.97 56.05 2qg3 s GLU 143 Cb -0.14 -0.14 0.01 0.00 0.26 0.00 0.00 34.13 34.13 2qg3 s GLU 143 CO 0.11 -0.84 0.23 -0.48 -0.54 0.00 0.00 175.26 173.74 2qg3 s LEU 144 N 2.64 1.16 0.22 2.70 2.34 -0.49 -4.99 118.68 122.26 2qg3 s LEU 144 Ca 0.13 0.00 -0.30 0.00 0.06 0.00 0.00 54.13 54.02 2qg3 s LEU 144 Cb -0.13 0.99 -0.08 0.00 -0.56 0.00 0.00 46.19 46.40 2qg3 s LEU 144 CO -0.24 -0.38 1.01 -2.16 -1.06 0.00 0.00 176.35 173.53 2qg3 s PRO 145 N -1.22 4.73 0.00 1.48 0.04 -1.26 -0.92 135.00 137.85 2qg3 s PRO 145 Ca -0.13 1.61 0.00 0.00 0.04 0.00 0.00 61.00 62.52 2qg3 s PRO 145 Cb -0.06 -3.27 0.00 0.00 0.04 0.00 0.00 34.50 31.21 2qg3 s PRO 145 CO 0.03 0.32 0.00 1.33 0.04 0.00 0.00 177.00 178.72 2qg3 n VAL 146 N 1.74 0.00 -3.61 -0.36 0.24 0.17 -4.88 118.33 111.63 2qg3 n VAL 146 Ca -0.00 -0.03 -0.11 0.00 -2.04 0.00 0.00 64.34 62.16 2qg3 n VAL 146 Cb 0.47 0.36 -0.04 0.00 -1.47 0.00 0.00 33.84 33.15 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 -1.12 -1.03 -0.04 2.33 0.00 -1.15 -0.74 121.76 120.00 2qg3 s ALA 147 Ca 0.00 0.07 -0.01 0.00 0.00 0.00 0.00 51.96 52.02 2qg3 s ALA 147 Cb 0.00 0.67 0.03 0.00 0.00 0.00 0.00 23.12 23.82 2qg3 s ALA 147 CO 0.00 -0.64 0.03 -2.00 0.00 0.00 0.00 175.76 173.15 2qg3 s GLU 148 N -3.62 0.11 -1.50 0.00 2.12 0.11 -0.29 118.70 115.63 2qg3 s GLU 148 Ca 0.02 0.22 -0.07 0.00 0.36 0.00 0.00 54.97 55.50 2qg3 s GLU 148 Cb 0.01 -0.50 0.05 0.00 0.26 0.00 0.00 34.13 33.96 2qg3 s GLU 148 CO -0.11 -0.24 0.58 1.63 -0.54 0.00 0.00 175.26 176.58 2qg3 n LYS 149 N 4.72 -3.49 -0.96 4.30 4.01 0.91 -1.08 118.16 126.57 2qg3 n LYS 149 Ca -0.16 0.42 0.00 0.00 -0.51 0.00 0.00 58.31 58.06 2qg3 n LYS 149 Cb 0.50 -4.79 0.00 0.00 -0.51 0.00 0.00 35.03 30.23 2qg3 n LYS 149 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2qg3 n GLY 150 N -1.78 0.59 0.00 0.72 0.00 -0.08 -4.92 105.19 99.72 2qg3 n GLY 150 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.24 -4.73 117.00 117.79 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 0.05 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 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 -4.28 2.23 4.77 0.08 0.07 117.00 119.86 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 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 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 1.45 0.79 4.08 -7.23 -1.25 -5.04 120.40 113.19 2qg3 s VAL 154 Ca 0.00 -1.99 -0.12 0.00 -1.81 0.00 0.00 61.98 58.06 2qg3 s VAL 154 Cb 0.00 -1.81 0.07 0.00 0.56 0.00 0.00 36.38 35.19 2qg3 s VAL 154 CO 0.00 -0.56 1.14 1.51 -0.31 0.00 0.00 175.10 176.88 2qg3 s ASP 155 N -2.96 4.68 0.33 4.85 1.47 -1.26 -4.83 116.67 118.96 2qg3 s ASP 155 Ca 0.16 0.96 0.02 0.00 1.18 0.00 0.00 52.55 54.87 2qg3 s ASP 155 Cb -0.01 -1.58 0.58 0.00 -0.34 0.00 0.00 42.92 41.57 2qg3 s ASP 155 CO 0.04 -1.81 1.93 -2.24 0.68 0.00 0.00 175.17 173.77 2qg3 h ASP 156 N -0.99 0.65 -0.27 2.11 -0.00 -2.01 -1.67 116.42 114.25 2qg3 h ASP 156 Ca -0.46 -0.07 -0.02 0.00 -0.00 0.00 0.00 57.03 56.48 2qg3 h ASP 156 Cb 1.30 -0.17 -0.01 0.00 -0.00 0.00 0.00 39.33 40.45 2qg3 h ASP 156 CO 0.64 0.58 0.11 0.00 -0.00 0.00 0.00 179.24 180.57 2qg3 h ALA 157 N 1.52 0.35 -0.46 4.15 0.00 -1.99 -0.60 119.26 122.24 2qg3 h ALA 157 Ca 0.18 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 2qg3 h ALA 157 Cb 0.13 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2qg3 h ALA 157 CO -0.02 -0.05 0.09 -0.92 0.00 0.00 0.00 179.25 178.35 2qg3 h TYR 158 N 0.29 0.79 -0.38 0.00 3.20 -1.87 -0.94 116.97 118.04 2qg3 h TYR 158 Ca 0.09 -0.10 0.01 0.00 3.14 0.00 0.00 58.73 61.87 2qg3 h TYR 158 Cb 0.18 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.21 2qg3 h TYR 158 CO -0.01 0.73 0.24 1.25 -1.64 0.00 0.00 178.16 178.74 2qg3 h LEU 159 N 0.62 0.41 -0.68 2.82 5.85 -1.19 -0.79 115.31 122.34 2qg3 h LEU 159 Ca 0.14 -0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.91 2qg3 h LEU 159 Cb 0.36 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.24 2qg3 h LEU 159 CO 0.01 0.30 0.40 0.28 -0.34 0.00 0.00 178.44 179.08 2qg3 h SER 160 N 0.49 0.61 -0.32 1.25 0.02 -0.79 -1.18 113.55 113.63 2qg3 h SER 160 Ca 0.15 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.11 2qg3 h SER 160 Cb -0.03 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 2qg3 h SER 160 CO -0.05 0.40 0.17 0.22 -1.14 0.00 0.00 176.83 176.44 2qg3 h TYR 161 N 0.74 0.44 0.00 3.45 3.20 -0.77 -1.38 116.97 122.65 2qg3 h TYR 161 Ca 0.30 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 62.06 2qg3 h TYR 161 Cb 0.14 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.25 2qg3 h TYR 161 CO -0.07 0.36 -0.44 -0.39 -1.64 0.00 0.00 178.16 175.99 2qg3 h VAL 162 N 0.39 0.96 -0.11 1.81 -1.51 -0.83 -2.46 116.25 114.50 2qg3 h VAL 162 Ca 0.11 -1.76 -0.09 0.00 -1.23 0.00 0.00 66.70 63.74 2qg3 h VAL 162 Cb 0.07 2.06 0.00 0.00 -2.13 0.00 0.00 31.29 31.29 2qg3 h VAL 162 CO -0.02 0.43 -0.27 0.58 -1.23 0.00 0.00 177.57 177.07 2qg3 h VAL 163 N 0.00 1.39 -0.89 7.19 2.07 -1.10 -1.93 116.25 122.98 2qg3 h VAL 163 Ca -0.00 -1.58 0.13 0.00 0.82 0.00 0.00 66.70 66.06 2qg3 h VAL 163 Cb 1.03 2.13 -0.09 0.00 -1.52 0.00 0.00 31.29 32.85 2qg3 h VAL 163 CO 0.06 0.46 0.51 -0.09 0.02 0.00 0.00 177.57 178.53 2qg3 h ARG 164 N -0.07 0.76 -0.57 1.57 2.43 -1.24 0.90 114.38 118.17 2qg3 h ARG 164 Ca -0.00 -0.05 -0.10 0.00 -0.81 0.00 0.00 59.98 59.02 2qg3 h ARG 164 Cb 0.87 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 30.23 2qg3 h ARG 164 CO 0.06 0.51 -0.04 2.35 -1.51 0.00 0.00 179.97 181.33 2qg3 h TRP 165 N 0.79 1.14 -0.50 2.20 7.01 -1.39 -1.81 115.95 123.39 2qg3 h TRP 165 Ca 0.46 -0.21 -0.07 0.00 2.11 0.00 0.00 58.89 61.17 2qg3 h TRP 165 Cb 0.54 -0.29 -0.02 0.00 -2.10 0.00 0.00 29.16 27.29 2qg3 h TRP 165 CO -0.05 1.03 0.02 0.00 -2.79 0.00 0.00 178.44 176.65 2qg3 h ALA 166 N 0.96 0.67 -0.58 2.65 0.00 -0.56 -1.88 119.26 120.52 2qg3 h ALA 166 Ca 0.16 -0.27 0.06 0.00 0.00 0.00 0.00 54.91 54.86 2qg3 h ALA 166 Cb 0.60 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 2qg3 h ALA 166 CO 0.04 0.46 0.28 -0.91 0.00 0.00 0.00 179.25 179.12 2qg3 h ASN 167 N 0.73 0.39 0.05 0.00 2.35 -0.75 -1.40 115.58 116.95 2qg3 h ASN 167 Ca 0.14 0.04 -0.10 0.00 -0.55 0.00 0.00 56.30 55.84 2qg3 h ASN 167 Cb 0.48 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.81 2qg3 h ASN 167 CO 0.02 0.26 -0.31 -0.08 -1.65 0.00 0.00 177.43 175.67 2qg3 h GLU 168 N 0.53 0.39 -0.14 0.81 4.81 -0.91 -1.42 114.58 118.65 2qg3 h GLU 168 Ca 0.26 -0.16 -0.18 0.00 -0.13 0.00 0.00 59.36 59.16 2qg3 h GLU 168 Cb 0.21 -0.02 0.01 0.00 0.63 0.00 0.00 28.75 29.58 2qg3 h GLU 168 CO -0.20 0.66 -0.60 0.87 -0.73 0.00 0.00 179.01 179.01 2qg3 h LYS 169 N 0.34 0.66 -0.43 1.92 1.79 -1.11 -2.46 116.57 117.27 2qg3 h LYS 169 Ca 0.04 -0.52 -0.02 0.00 -2.18 0.00 0.00 60.65 57.98 2qg3 h LYS 169 Cb 0.71 0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 31.45 2qg3 h LYS 169 CO 0.05 1.14 0.20 1.25 -1.08 0.00 0.00 179.45 181.01 2qg3 h LEU 170 N 0.33 0.57 -0.68 2.94 5.85 -1.04 -1.93 115.31 121.35 2qg3 h LEU 170 Ca -0.04 -0.14 0.05 0.00 0.84 0.00 0.00 57.88 58.60 2qg3 h LEU 170 Cb 1.24 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 42.07 2qg3 h LEU 170 CO 0.13 0.55 0.40 0.25 -0.34 0.00 0.00 178.44 179.42 2qg3 h LEU 171 N 0.55 0.62 -1.53 2.25 5.85 -1.32 -1.89 115.31 119.83 2qg3 h LEU 171 Ca 0.15 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.84 2qg3 h LEU 171 Cb 0.14 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 2qg3 h LEU 171 CO -0.02 0.41 -0.15 0.11 -0.34 0.00 0.00 178.44 178.45 2qg3 h LYS 172 N 0.75 0.12 -0.51 1.25 1.57 -1.09 -0.52 116.57 118.14 2qg3 h LYS 172 Ca 0.30 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.99 2qg3 h LYS 172 Cb 0.14 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 2qg3 h LYS 172 CO -0.16 0.27 0.07 0.78 -0.57 0.00 0.00 179.45 179.84 2qg3 h GLY 173 N 0.63 0.91 1.22 3.86 0.00 -0.91 -2.27 103.07 106.53 2qg3 h GLY 173 Ca 0.02 -0.62 -0.12 0.00 0.00 0.00 0.00 47.33 46.62 2qg3 h GLY 173 CO 0.02 0.57 -0.17 0.50 0.00 0.00 0.00 176.54 177.46 2qg3 h LYS 174 N 0.72 0.90 -0.50 4.80 1.79 -0.81 -1.29 116.57 122.18 2qg3 h LYS 174 Ca 0.15 -0.35 0.03 0.00 -2.18 0.00 0.00 60.65 58.31 2qg3 h LYS 174 Cb 0.42 -0.05 -0.04 0.00 -1.58 0.00 0.00 32.23 30.98 2qg3 h LYS 174 CO 0.01 1.00 0.28 0.93 -1.08 0.00 0.00 179.45 180.59 2qg3 h GLU 175 N 0.79 0.53 -0.35 3.15 5.08 -1.05 -0.01 114.58 122.72 2qg3 h GLU 175 Ca 0.12 -0.03 -0.14 0.00 -1.00 0.00 0.00 59.36 58.31 2qg3 h GLU 175 Cb 0.71 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 2qg3 h GLU 175 CO 0.05 0.35 -0.32 0.87 -1.00 0.00 0.00 179.01 178.96 2qg3 h LYS 176 N 0.54 0.78 -0.55 2.33 1.57 -1.12 -0.93 116.57 119.20 2qg3 h LYS 176 Ca 0.21 -0.37 0.02 0.00 -1.87 0.00 0.00 60.65 58.65 2qg3 h LYS 176 Cb 0.08 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 2qg3 h LYS 176 CO -0.13 0.99 0.33 -0.07 -0.57 0.00 0.00 179.45 180.01 2qg3 h LEU 177 N 0.66 0.54 -0.88 2.94 3.38 -1.00 -1.81 115.31 119.14 2qg3 h LEU 177 Ca 0.07 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.05 2qg3 h LEU 177 Cb 0.86 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.45 2qg3 h LEU 177 CO 0.08 0.38 0.58 1.23 0.09 0.00 0.00 178.44 180.80 2qg3 h GLY 178 N 0.66 1.24 1.61 0.83 0.00 -0.62 -1.87 103.07 104.93 2qg3 h GLY 178 Ca 0.22 -0.46 -0.08 0.00 0.00 0.00 0.00 47.33 47.00 2qg3 h GLY 178 CO -0.09 0.45 -0.19 3.21 0.00 0.00 0.00 176.54 179.93 2qg3 h ARG 179 N 1.20 0.46 -0.09 4.80 3.08 -0.96 -0.87 114.38 121.99 2qg3 h ARG 179 Ca 0.32 -0.15 -0.18 0.00 0.07 0.00 0.00 59.98 60.05 2qg3 h ARG 179 Cb -0.14 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 2qg3 h ARG 179 CO -0.07 0.63 -0.69 1.25 -1.07 0.00 0.00 179.97 180.02 2qg3 h LEU 180 N 0.42 0.47 -0.19 3.04 5.85 -1.00 -0.96 115.31 122.93 2qg3 h LEU 180 Ca 0.07 -0.30 -0.07 0.00 0.84 0.00 0.00 57.88 58.42 2qg3 h LEU 180 Cb 0.57 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.45 2qg3 h LEU 180 CO 0.04 1.02 -0.16 -0.61 -0.34 0.00 0.00 178.44 178.39 2qg3 h GLN 181 N 0.28 0.45 -0.28 1.25 4.15 -1.05 -2.02 115.11 117.90 2qg3 h GLN 181 Ca -0.02 -0.22 0.07 0.00 0.77 0.00 0.00 58.65 59.24 2qg3 h GLN 181 Cb 1.25 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 28.87 2qg3 h GLN 181 CO 0.12 0.78 -0.22 0.93 -1.93 0.00 0.00 178.83 178.51 2qg3 h GLU 182 N 0.12 -0.19 -0.05 1.69 5.08 -1.10 0.99 114.58 121.11 2qg3 h GLU 182 Ca 0.04 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.43 2qg3 h GLU 182 Cb 0.68 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.96 2qg3 h GLU 182 CO 0.04 -0.13 -0.05 0.00 -1.00 0.00 0.00 179.01 177.88 2qg3 h ALA 183 N 0.91 0.00 -0.87 3.43 0.00 -1.08 0.60 119.26 122.26 2qg3 h ALA 183 Ca 0.15 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2qg3 h ALA 183 Cb 0.43 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 2qg3 h ALA 183 CO -0.39 -0.52 0.49 -0.07 0.00 0.00 0.00 179.25 178.75 2qg3 h LEU 184 N -0.06 1.06 -0.50 0.00 3.38 -1.30 -0.71 115.31 117.19 2qg3 h LEU 184 Ca 0.04 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 2qg3 h LEU 184 Cb 0.11 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 2qg3 h LEU 184 CO -0.09 0.84 0.12 -0.33 0.09 0.00 0.00 178.44 179.08 2qg3 h GLU 185 N 1.21 0.79 -0.56 1.13 5.08 -0.20 0.13 114.58 122.16 2qg3 h GLU 185 Ca 0.31 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 2qg3 h GLU 185 Cb -0.00 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.12 2qg3 h GLU 185 CO -0.05 0.77 0.31 0.77 -1.00 0.00 0.00 179.01 179.80 2qg3 h SER 186 N 0.68 0.70 0.93 1.42 0.02 0.47 -0.12 113.55 117.65 2qg3 h SER 186 Ca 0.16 -0.09 -0.05 0.00 -0.84 0.00 0.00 61.79 60.97 2qg3 h SER 186 Cb 0.33 -0.18 0.01 0.00 0.14 0.00 0.00 62.40 62.70 2qg3 h SER 186 CO 0.00 0.58 -0.45 0.25 -1.14 0.00 0.00 176.83 176.07 2qg3 h LEU 187 N 0.75 -1.08 -1.75 5.07 6.46 -1.05 -3.16 115.31 120.55 2qg3 h LEU 187 Ca 0.20 0.04 0.07 0.00 -0.12 0.00 0.00 57.88 58.07 2qg3 h LEU 187 Cb 0.04 0.28 -0.02 0.00 -0.73 0.00 0.00 40.66 40.22 2qg3 h LEU 187 CO -0.03 -0.76 0.30 -0.61 -0.62 0.00 0.00 178.44 176.71 2qg3 h GLN 188 N -1.26 0.29 -0.54 1.25 4.15 -0.53 -2.56 115.11 115.91 2qg3 h GLN 188 Ca -0.13 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.27 2qg3 h GLN 188 Cb 0.97 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.59 2qg3 h GLN 188 CO 0.21 0.19 0.00 2.89 -1.93 0.00 0.00 178.83 180.19 2qg3 n ARG 189 N -4.47 2.47 -0.28 1.69 0.00 -0.07 -4.55 116.66 111.44 2qg3 n ARG 189 Ca 0.06 -1.75 0.08 0.00 -0.00 0.00 0.00 57.85 56.24 2qg3 n ARG 189 Cb 0.29 -1.54 0.23 0.00 -0.00 0.00 0.00 32.46 31.44 2qg3 n ARG 189 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 2qg3 h GLU 190 N 2.63 0.46 -0.53 2.89 4.39 -1.45 -1.71 114.58 121.26 2qg3 h GLU 190 Ca 0.00 -0.03 -0.37 0.00 0.34 0.00 0.00 59.36 59.31 2qg3 h GLU 190 Cb 0.85 -0.10 -0.25 0.00 -0.10 0.00 0.00 28.75 29.15 2qg3 h GLU 190 CO 0.09 0.30 -0.38 0.09 -1.16 0.00 0.00 179.01 177.95 2qg3 n ASN 191 N -4.98 4.00 0.02 1.42 3.02 -1.26 -4.72 115.26 112.75 2qg3 n ASN 191 Ca 0.17 -3.80 0.20 0.00 -0.03 0.00 0.00 54.58 51.12 2qg3 n ASN 191 Cb 0.48 -0.52 0.71 0.00 -0.61 0.00 0.00 39.78 39.84 2qg3 n ASN 191 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2qg3 h ALA 192 N 1.63 2.41 -0.14 5.41 0.00 -1.61 -2.67 119.26 124.29 2qg3 h ALA 192 Ca 0.29 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2qg3 h ALA 192 Cb 1.39 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.21 2qg3 h ALA 192 CO 0.62 -0.64 0.00 0.66 0.00 0.00 0.00 179.25 179.89 2qg3 n TYR 193 N -4.24 0.19 -3.78 0.00 4.01 -1.26 -4.98 117.16 107.10 2qg3 n TYR 193 Ca 0.09 -0.44 -0.22 0.00 -0.16 0.00 0.00 57.90 57.18 2qg3 n TYR 193 Cb 0.59 -0.03 -0.17 0.00 -0.31 0.00 0.00 39.34 39.42 2qg3 n TYR 193 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2qg3 h SER 195 N 8.19 0.86 -0.01 0.00 0.02 -1.94 -3.45 113.55 117.22 2qg3 h SER 195 Ca -0.21 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 2qg3 h SER 195 Cb 1.13 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.45 2qg3 h SER 195 CO 0.27 0.64 0.00 0.47 -1.14 0.00 0.00 176.83 177.07