#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qgf n THR 2 N 0.00 0.56 -1.78 2.03 -2.24 -1.26 -4.87 114.28 106.71 2qgf n THR 2 Ca 0.00 -0.10 -0.41 0.00 -2.27 0.00 0.00 64.05 61.27 2qgf n THR 2 Cb 0.00 -2.20 -0.01 0.00 -2.10 0.00 0.00 70.33 66.02 2qgf n THR 2 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 2qgf n HIS 3 N 6.53 3.03 -1.56 4.78 -0.00 -1.26 -4.90 115.22 121.85 2qgf n HIS 3 Ca 0.19 -2.95 -0.37 0.00 0.46 0.00 0.00 57.72 55.05 2qgf n HIS 3 Cb 0.38 -2.34 -0.03 0.00 -0.12 0.00 0.00 29.99 27.89 2qgf n HIS 3 CO 0.00 0.00 0.00 -3.47 0.46 0.00 0.00 176.34 173.33 2qgf n ASP 4 N 4.54 2.47 0.00 0.26 2.03 -1.26 -4.82 116.55 119.77 2qgf n ASP 4 Ca 0.57 -0.39 0.00 0.00 0.52 0.00 0.00 54.79 55.49 2qgf n ASP 4 Cb 0.33 -1.58 0.00 0.00 -0.72 0.00 0.00 41.12 39.15 2qgf n ASP 4 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2qgf n ASN 5 N 15.25 0.00 0.00 1.67 5.15 -1.26 -5.09 115.26 130.98 2qgf n ASN 5 Ca 0.36 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.34 2qgf n ASN 5 Cb 0.53 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.78 2qgf n ASN 5 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2qgf n LYS 6 N -0.23 0.00 0.00 1.20 5.02 -1.26 -5.04 118.16 117.85 2qgf n LYS 6 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2qgf n LYS 6 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2qgf n LYS 6 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2qgf n LEU 7 N -1.41 0.00 -4.44 -0.35 7.99 -1.26 -4.97 117.00 112.56 2qgf n LEU 7 Ca 0.00 0.57 -0.22 0.00 -0.01 0.00 0.00 56.01 56.35 2qgf n LEU 7 Cb 0.00 -0.07 -0.10 0.00 -0.11 0.00 0.00 43.42 43.14 2qgf n LEU 7 CO 0.00 -0.07 -0.24 -1.10 -1.51 0.00 0.00 177.39 174.47 2qgf s GLN 8 N -1.28 1.71 0.02 3.23 -0.21 -1.26 -5.17 119.66 116.69 2qgf s GLN 8 Ca 0.00 -1.98 -0.26 0.00 0.02 0.00 0.00 55.36 53.14 2qgf s GLN 8 Cb 0.00 -0.63 0.06 0.00 1.00 0.00 0.00 33.01 33.44 2qgf s GLN 8 CO 0.00 -0.33 0.59 0.08 -2.12 0.00 0.00 175.29 173.51 2qgf s VAL 9 N -3.36 0.01 0.38 1.09 1.01 -1.26 -4.50 120.40 113.78 2qgf s VAL 9 Ca 0.32 -0.12 0.08 0.00 0.00 0.00 0.00 61.98 62.26 2qgf s VAL 9 Cb 0.06 -0.96 -0.01 0.00 0.00 0.00 0.00 36.38 35.47 2qgf s VAL 9 CO 0.15 -0.07 0.43 -1.83 0.00 0.00 0.00 175.10 173.79 2qgf s GLU 10 N -2.01 2.77 -0.18 2.72 1.03 -1.26 -5.11 118.70 116.65 2qgf s GLU 10 Ca -0.07 -1.30 -0.28 0.00 0.03 0.00 0.00 54.97 53.35 2qgf s GLU 10 Cb -0.01 -2.59 0.09 0.00 -0.80 0.00 0.00 34.13 30.82 2qgf s GLU 10 CO 0.02 -0.11 0.82 0.00 -1.33 0.00 0.00 175.26 174.66 2qgf s ALA 11 N -2.35 -1.84 0.23 -0.84 0.00 -1.26 -4.76 121.76 110.95 2qgf s ALA 11 Ca 0.48 1.70 -0.00 0.00 0.00 0.00 0.00 51.96 54.14 2qgf s ALA 11 Cb -0.07 -0.78 -0.04 0.00 0.00 0.00 0.00 23.12 22.23 2qgf s ALA 11 CO 0.30 -0.32 0.42 0.96 0.00 0.00 0.00 175.76 177.11 2qgf s ILE 12 N -0.40 5.19 0.06 0.00 -4.36 -1.26 -5.03 121.20 115.39 2qgf s ILE 12 Ca -0.03 -0.42 -0.28 0.00 -0.26 0.00 0.00 60.65 59.65 2qgf s ILE 12 Cb -0.03 -3.77 -0.17 0.00 1.25 0.00 0.00 42.46 39.74 2qgf s ILE 12 CO 0.03 -0.26 1.53 0.11 0.24 0.00 0.00 174.94 176.59 2qgf h LYS 13 N 1.71 -0.52 -1.94 0.37 6.56 -1.98 -3.42 116.57 117.34 2qgf h LYS 13 Ca -0.49 0.04 -0.03 0.00 -1.06 0.00 0.00 60.65 59.10 2qgf h LYS 13 Cb 1.20 0.12 -0.20 0.00 -0.57 0.00 0.00 32.23 32.77 2qgf h LYS 13 CO 0.66 -0.29 0.21 -0.98 -2.06 0.00 0.00 179.45 177.00 2qgf s ARG 14 N -5.65 0.91 0.00 3.15 1.70 -1.26 -1.47 118.95 116.34 2qgf s ARG 14 Ca -0.15 0.54 0.00 0.00 -0.47 0.00 0.00 55.73 55.64 2qgf s ARG 14 Cb 0.04 0.44 0.00 0.00 -0.57 0.00 0.00 34.95 34.85 2qgf s ARG 14 CO 0.61 -0.22 0.00 0.41 -1.08 0.00 0.00 175.30 175.02 2qgf n GLY 15 N 1.61 -0.26 3.64 3.88 0.00 0.77 0.47 105.19 115.29 2qgf n GLY 15 Ca -0.16 -1.13 -0.31 0.00 0.00 0.00 0.00 46.02 44.42 2qgf n GLY 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qgf s THR 16 N -3.34 3.80 -0.09 2.61 2.01 0.01 0.45 115.64 121.10 2qgf s THR 16 Ca 0.00 -0.98 0.01 0.00 0.31 0.00 0.00 61.69 61.03 2qgf s THR 16 Cb 0.00 -2.76 0.02 0.00 0.01 0.00 0.00 72.50 69.77 2qgf s THR 16 CO 0.00 0.20 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.35 2qgf s VAL 17 N -1.21 0.98 -0.32 3.82 1.01 -0.18 -0.40 120.40 124.10 2qgf s VAL 17 Ca 0.22 -0.32 -0.06 0.00 0.00 0.00 0.00 61.98 61.82 2qgf s VAL 17 Cb -0.11 -0.96 0.03 0.00 0.00 0.00 0.00 36.38 35.33 2qgf s VAL 17 CO 0.14 0.34 0.08 -0.63 0.00 0.00 0.00 175.10 175.03 2qgf s ILE 18 N 1.23 3.69 0.26 2.22 1.01 0.15 -0.64 121.20 129.12 2qgf s ILE 18 Ca -0.04 -1.06 0.09 0.00 0.00 0.00 0.00 60.65 59.64 2qgf s ILE 18 Cb -0.14 -3.04 -0.04 0.00 0.01 0.00 0.00 42.46 39.25 2qgf s ILE 18 CO -0.03 -0.10 0.00 -0.62 0.00 0.00 0.00 174.94 174.20 2qgf s ASP 19 N 1.40 4.59 -0.77 3.58 -1.08 -0.53 -1.66 116.67 122.19 2qgf s ASP 19 Ca -0.01 -0.61 -0.01 0.00 -0.52 0.00 0.00 52.55 51.39 2qgf s ASP 19 Cb -0.19 -0.87 0.00 0.00 -1.46 0.00 0.00 42.92 40.40 2qgf s ASP 19 CO 0.02 0.01 0.20 0.00 0.52 0.00 0.00 175.17 175.91 2qgf n ALA 20 N -0.84 -0.40 -2.69 3.66 0.00 -1.25 -1.03 120.51 117.96 2qgf n ALA 20 Ca -0.07 0.12 -0.42 0.00 0.00 0.00 0.00 53.44 53.07 2qgf n ALA 20 Cb 0.59 -1.85 -0.03 0.00 0.00 0.00 0.00 19.45 18.16 2qgf n ALA 20 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2qgf s ILE 21 N -2.72 4.81 0.61 0.00 1.01 -1.10 -3.58 121.20 120.23 2qgf s ILE 21 Ca 0.10 2.03 -0.19 0.00 0.00 0.00 0.00 60.65 62.59 2qgf s ILE 21 Cb -0.04 -4.30 -0.02 0.00 0.01 0.00 0.00 42.46 38.10 2qgf s ILE 21 CO 0.12 0.10 1.29 -2.16 0.00 0.00 0.00 174.94 174.29 2qgf s PRO 22 N 1.42 2.77 0.46 2.79 0.04 -1.26 -1.17 135.00 140.05 2qgf s PRO 22 Ca 0.51 2.06 -0.23 0.00 0.04 0.00 0.00 61.00 63.38 2qgf s PRO 22 Cb -0.20 -1.96 -0.09 0.00 0.04 0.00 0.00 34.50 32.28 2qgf s PRO 22 CO 0.24 -1.43 1.02 0.00 0.04 0.00 0.00 177.00 176.87 2qgf n ALA 23 N -1.63 0.28 -0.70 8.56 0.00 -1.23 -2.00 120.51 123.80 2qgf n ALA 23 Ca 0.14 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.76 2qgf n ALA 23 Cb 0.48 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.82 2qgf n ALA 23 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2qgf n GLN 24 N -0.10 0.00 -0.07 0.00 1.13 -1.26 -4.78 117.38 112.30 2qgf n GLN 24 Ca 0.10 0.00 -0.02 0.00 -1.94 0.00 0.00 57.00 55.13 2qgf n GLN 24 Cb 0.41 -2.84 -0.16 0.00 0.11 0.00 0.00 30.24 27.76 2qgf n GLN 24 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 2qgf n ILE 25 N -2.00 0.87 -0.10 5.09 2.08 -0.85 -4.56 119.36 119.90 2qgf n ILE 25 Ca 0.00 -0.71 -0.10 0.00 0.56 0.00 0.00 62.75 62.50 2qgf n ILE 25 Cb 0.00 -0.30 -0.07 0.00 -0.75 0.00 0.00 39.64 38.51 2qgf n ILE 25 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 2qgf h GLY 26 N 3.88 -1.25 0.59 7.39 0.00 -1.87 -1.95 103.07 109.86 2qgf h GLY 26 Ca -0.34 0.75 0.09 0.00 0.00 0.00 0.00 47.33 47.82 2qgf h GLY 26 CO 0.02 -0.28 0.59 -2.75 0.00 0.00 0.00 176.54 174.12 2qgf h PHE 27 N -0.31 1.08 -0.04 5.60 3.57 -1.95 -2.00 116.94 122.89 2qgf h PHE 27 Ca 0.05 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.62 2qgf h PHE 27 Cb 0.45 -0.34 -0.04 0.00 2.79 0.00 0.00 35.95 38.81 2qgf h PHE 27 CO -0.69 0.48 -0.19 0.87 -2.23 0.00 0.00 178.31 176.56 2qgf h LYS 28 N 1.00 -0.28 -0.67 1.11 1.57 -1.64 -0.45 116.57 117.22 2qgf h LYS 28 Ca 0.44 0.02 0.10 0.00 -1.87 0.00 0.00 60.65 59.34 2qgf h LYS 28 Cb 0.32 0.06 -0.07 0.00 0.08 0.00 0.00 32.23 32.62 2qgf h LYS 28 CO -0.22 -0.18 0.29 -0.07 -0.57 0.00 0.00 179.45 178.69 2qgf h LEU 29 N -0.29 0.33 -1.12 2.94 3.38 -0.67 0.43 115.31 120.30 2qgf h LEU 29 Ca 0.07 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2qgf h LEU 29 Cb 0.38 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.12 2qgf h LEU 29 CO -0.20 0.18 0.55 -0.07 0.09 0.00 0.00 178.44 178.98 2qgf h LEU 30 N 0.49 1.00 0.11 1.67 3.38 -0.83 -1.74 115.31 119.39 2qgf h LEU 30 Ca 0.34 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.26 2qgf h LEU 30 Cb 0.40 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.91 2qgf h LEU 30 CO -0.30 0.74 -0.05 0.28 0.09 0.00 0.00 178.44 179.19 2qgf h SER 31 N 1.16 -0.13 0.05 -0.43 0.02 0.74 -2.50 113.55 112.47 2qgf h SER 31 Ca 0.31 -0.43 -0.00 0.00 -0.84 0.00 0.00 61.79 60.83 2qgf h SER 31 Cb -0.10 0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.47 2qgf h SER 31 CO -0.06 0.43 -0.02 -0.07 -1.14 0.00 0.00 176.83 175.96 2qgf h LEU 32 N -0.76 -0.06 -1.42 5.07 3.38 -0.24 -3.03 115.31 118.24 2qgf h LEU 32 Ca -0.02 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2qgf h LEU 32 Cb 0.55 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.32 2qgf h LEU 32 CO 0.03 0.03 0.00 0.49 0.09 0.00 0.00 178.44 179.07 2qgf n PHE 33 N -5.09 0.42 -4.03 1.13 3.01 -0.66 -4.93 117.46 107.32 2qgf n PHE 33 Ca -0.08 -0.21 -0.30 0.00 1.01 0.00 0.00 57.45 57.88 2qgf n PHE 33 Cb 0.08 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.52 2qgf n PHE 33 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 2qgf n LYS 34 N 0.62 -2.16 0.22 -1.08 5.02 -1.10 -4.86 118.16 114.82 2qgf n LYS 34 Ca 0.15 0.30 0.11 0.00 -2.02 0.00 0.00 58.31 56.85 2qgf n LYS 34 Cb 0.36 -4.05 0.35 0.00 -0.02 0.00 0.00 35.03 31.67 2qgf n LYS 34 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2qgf h LEU 35 N -1.91 0.00 0.00 -0.35 3.38 -1.69 -3.19 115.31 111.55 2qgf h LEU 35 Ca -0.65 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.32 2qgf h LEU 35 Cb 1.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.13 2qgf h LEU 35 CO 0.62 0.14 0.00 0.35 0.09 0.00 0.00 178.44 179.64 2qgf n THR 36 N -3.20 0.00 -2.40 0.22 -2.24 -1.26 -4.35 114.28 101.06 2qgf n THR 36 Ca 0.02 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.38 2qgf n THR 36 Cb 0.48 -0.50 0.01 0.00 -2.10 0.00 0.00 70.33 68.21 2qgf n THR 36 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2qgf n GLU 37 N -1.00 4.53 -4.02 -0.78 1.02 -1.21 -4.91 120.64 114.28 2qgf n GLU 37 Ca 0.24 -3.94 -0.10 0.00 -0.02 0.00 0.00 57.16 53.34 2qgf n GLU 37 Cb 0.11 -2.65 -0.08 0.00 -0.02 0.00 0.00 31.44 28.81 2qgf n GLU 37 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2qgf s THR 38 N -1.78 0.06 -2.26 2.62 -4.23 -1.26 -5.03 115.64 103.76 2qgf s THR 38 Ca 0.43 -1.53 0.20 0.00 -1.18 0.00 0.00 61.69 59.62 2qgf s THR 38 Cb 0.14 -1.98 0.45 0.00 1.34 0.00 0.00 72.50 72.45 2qgf s THR 38 CO -0.04 -0.26 1.44 -0.90 -0.54 0.00 0.00 174.62 174.33 2qgf n ASP 39 N -0.22 2.76 -4.83 3.99 3.85 -1.26 -4.95 116.55 115.90 2qgf n ASP 39 Ca -0.05 -1.92 -0.33 0.00 -0.71 0.00 0.00 54.79 51.78 2qgf n ASP 39 Cb 0.63 -0.25 -0.06 0.00 -1.35 0.00 0.00 41.12 40.09 2qgf n ASP 39 CO 0.00 0.00 0.00 -1.10 -1.01 0.00 0.00 177.20 175.09 2qgf s GLN 40 N -1.50 4.17 -0.28 0.11 -1.52 -1.26 -5.00 119.66 114.38 2qgf s GLN 40 Ca 0.36 1.05 -0.29 0.00 -1.95 0.00 0.00 55.36 54.54 2qgf s GLN 40 Cb 0.20 -2.20 -0.01 0.00 -0.22 0.00 0.00 33.01 30.78 2qgf s GLN 40 CO 0.28 -0.04 1.41 0.50 -0.25 0.00 0.00 175.29 177.18 2qgf s ARG 41 N -3.28 3.86 -0.10 2.91 3.52 -1.26 -4.94 118.95 119.67 2qgf s ARG 41 Ca 0.61 1.37 -0.01 0.00 -0.13 0.00 0.00 55.73 57.57 2qgf s ARG 41 Cb -0.09 -3.94 -0.03 0.00 -1.56 0.00 0.00 34.95 29.33 2qgf s ARG 41 CO 0.16 -1.19 -0.05 0.42 -0.81 0.00 0.00 175.30 173.82 2qgf s ILE 42 N 4.69 3.80 -0.14 4.11 1.01 -1.26 -3.02 121.20 130.39 2qgf s ILE 42 Ca 0.61 -0.43 0.01 0.00 0.00 0.00 0.00 60.65 60.85 2qgf s ILE 42 Cb -0.19 -2.59 0.02 0.00 0.01 0.00 0.00 42.46 39.70 2qgf s ILE 42 CO 0.25 0.57 -0.18 -0.89 0.00 0.00 0.00 174.94 174.70 2qgf s THR 43 N -0.46 1.77 -0.02 2.92 2.01 -0.78 -5.01 115.64 116.05 2qgf s THR 43 Ca 0.07 -0.78 0.05 0.00 0.31 0.00 0.00 61.69 61.33 2qgf s THR 43 Cb -0.12 -1.60 -0.03 0.00 0.01 0.00 0.00 72.50 70.76 2qgf s THR 43 CO 0.02 0.49 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.66 2qgf s ILE 44 N 1.10 2.99 -0.21 1.82 1.09 -1.26 -0.93 121.20 125.80 2qgf s ILE 44 Ca -0.02 -0.85 -0.01 0.00 -1.10 0.00 0.00 60.65 58.67 2qgf s ILE 44 Cb -0.14 -2.20 0.06 0.00 -1.06 0.00 0.00 42.46 39.12 2qgf s ILE 44 CO -0.06 0.52 -0.01 -0.83 -0.10 0.00 0.00 174.94 174.47 2qgf s GLY 45 N -0.94 0.99 -0.05 6.18 0.00 0.50 -4.99 107.32 109.02 2qgf s GLY 45 Ca 0.13 -1.02 0.01 0.00 0.00 0.00 0.00 44.72 43.83 2qgf s GLY 45 CO 0.02 1.18 -0.04 1.08 0.00 0.00 0.00 173.10 175.34 2qgf s LEU 46 N 1.63 3.32 -1.17 0.66 1.43 -1.26 0.23 118.68 123.52 2qgf s LEU 46 Ca -0.03 -0.01 -0.08 0.00 -1.03 0.00 0.00 54.13 52.98 2qgf s LEU 46 Cb -0.18 -1.80 0.01 0.00 0.03 0.00 0.00 46.19 44.25 2qgf s LEU 46 CO -0.07 0.34 1.00 0.59 0.23 0.00 0.00 176.35 178.43 2qgf n ASN 47 N 1.92 -5.77 -4.76 2.29 3.02 -0.88 -4.98 115.26 106.11 2qgf n ASN 47 Ca -0.17 -0.45 -0.39 0.00 -0.03 0.00 0.00 54.58 53.54 2qgf n ASN 47 Cb 0.53 -4.39 -0.05 0.00 -0.61 0.00 0.00 39.78 35.26 2qgf n ASN 47 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2qgf s LEU 48 N -6.39 4.48 -0.39 3.41 1.43 0.98 -4.72 118.68 117.48 2qgf s LEU 48 Ca 0.49 2.08 -0.28 0.00 -1.03 0.00 0.00 54.13 55.39 2qgf s LEU 48 Cb -0.22 -3.77 -0.03 0.00 0.03 0.00 0.00 46.19 42.21 2qgf s LEU 48 CO 0.61 -0.10 1.90 -2.84 0.23 0.00 0.00 176.35 176.15 2qgf s PRO 49 N -1.63 3.06 0.07 1.29 0.02 -1.26 -0.48 135.00 136.08 2qgf s PRO 49 Ca 0.46 1.31 0.21 0.00 0.02 0.00 0.00 61.00 63.01 2qgf s PRO 49 Cb -0.27 -4.29 -0.15 0.00 0.02 0.00 0.00 34.50 29.82 2qgf s PRO 49 CO 0.34 -2.18 0.75 0.45 -0.33 0.00 0.00 177.00 176.03 2qgf n SER 50 N 11.41 0.53 0.00 2.53 2.88 0.31 -4.92 113.62 126.36 2qgf n SER 50 Ca 0.24 0.21 0.00 0.00 -1.33 0.00 0.00 58.87 57.99 2qgf n SER 50 Cb 0.48 0.91 0.00 0.00 -0.75 0.00 0.00 64.21 64.86 2qgf n SER 50 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2qgf n GLY 51 N 1.29 0.63 0.04 0.46 0.00 -0.68 -3.87 105.19 103.06 2qgf n GLY 51 Ca -0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 46.02 45.95 2qgf n GLY 51 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2qgf h GLU 52 N 0.00 0.00 0.00 1.61 4.11 -2.01 -3.37 114.58 114.91 2qgf h GLU 52 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2qgf h GLU 52 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2qgf h GLU 52 CO 0.00 0.00 0.00 -0.12 0.07 0.00 0.00 179.01 178.96 2qgf n MET 53 N -4.20 0.24 0.00 1.06 0.00 -1.25 -5.01 117.12 107.95 2qgf n MET 53 Ca -0.01 0.29 0.00 0.00 0.00 0.00 0.00 57.70 57.98 2qgf n MET 53 Cb 0.05 -1.83 0.00 0.00 0.00 0.00 0.00 33.22 31.44 2qgf n MET 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2qgf n GLY 54 N 0.84 1.12 3.27 -5.12 0.00 -1.26 -4.93 105.19 99.12 2qgf n GLY 54 Ca 0.04 -1.02 -0.30 0.00 0.00 0.00 0.00 46.02 44.75 2qgf n GLY 54 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qgf s ARG 55 N 0.00 2.04 0.19 1.61 0.52 -1.26 0.11 118.95 122.17 2qgf s ARG 55 Ca 0.00 -0.86 0.02 0.00 -0.52 0.00 0.00 55.73 54.36 2qgf s ARG 55 Cb 0.00 -1.92 -0.05 0.00 0.52 0.00 0.00 34.95 33.50 2qgf s ARG 55 CO 0.00 0.49 0.03 -1.59 0.02 0.00 0.00 175.30 174.25 2qgf s LYS 56 N -0.49 1.19 0.17 3.54 -2.85 0.37 -3.55 119.74 118.12 2qgf s LYS 56 Ca 0.07 -1.59 0.08 0.00 -1.00 0.00 0.00 55.97 53.53 2qgf s LYS 56 Cb -0.10 -0.26 -0.04 0.00 -2.06 0.00 0.00 37.83 35.37 2qgf s LYS 56 CO -0.00 -0.17 -0.06 -0.51 0.10 0.00 0.00 175.35 174.71 2qgf s ASP 57 N -3.21 4.48 -0.06 0.03 1.01 -0.32 -0.01 116.67 118.59 2qgf s ASP 57 Ca 0.28 -0.49 -0.05 0.00 0.71 0.00 0.00 52.55 52.99 2qgf s ASP 57 Cb 0.06 -0.85 0.02 0.00 1.01 0.00 0.00 42.92 43.16 2qgf s ASP 57 CO 0.06 0.10 0.16 -0.22 0.21 0.00 0.00 175.17 175.49 2qgf s LEU 58 N -2.84 1.35 -0.04 1.23 2.96 0.14 -2.71 118.68 118.77 2qgf s LEU 58 Ca 0.26 0.33 0.01 0.00 -0.22 0.00 0.00 54.13 54.51 2qgf s LEU 58 Cb -0.09 0.55 0.02 0.00 0.50 0.00 0.00 46.19 47.16 2qgf s LEU 58 CO 0.17 -0.06 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.45 2qgf s ILE 59 N 0.14 0.58 -0.18 6.68 1.01 -0.66 -0.37 121.20 128.38 2qgf s ILE 59 Ca -0.00 -0.18 0.01 0.00 0.00 0.00 0.00 60.65 60.47 2qgf s ILE 59 Cb -0.02 -0.57 0.04 0.00 0.01 0.00 0.00 42.46 41.92 2qgf s ILE 59 CO -0.00 0.22 -0.10 -0.54 0.00 0.00 0.00 174.94 174.51 2qgf s LYS 60 N 0.65 2.00 -0.29 2.79 1.02 -0.10 0.34 119.74 126.16 2qgf s LYS 60 Ca -0.09 -0.75 -0.05 0.00 0.02 0.00 0.00 55.97 55.10 2qgf s LYS 60 Cb -0.12 -2.30 0.02 0.00 -0.52 0.00 0.00 37.83 34.91 2qgf s LYS 60 CO 0.00 -0.39 0.04 0.42 -0.92 0.00 0.00 175.35 174.50 2qgf s ILE 61 N 1.44 3.54 0.25 2.17 1.01 0.47 -1.87 121.20 128.21 2qgf s ILE 61 Ca 0.00 -0.93 -0.30 0.00 0.00 0.00 0.00 60.65 59.42 2qgf s ILE 61 Cb -0.15 -2.87 -0.09 0.00 0.01 0.00 0.00 42.46 39.35 2qgf s ILE 61 CO -0.09 0.05 1.14 -0.70 0.00 0.00 0.00 174.94 175.34 2qgf s GLU 62 N 1.41 4.57 -1.57 2.79 2.12 -1.17 -0.81 118.70 126.05 2qgf s GLU 62 Ca 0.00 1.86 -0.15 0.00 0.36 0.00 0.00 54.97 57.04 2qgf s GLU 62 Cb -0.18 -3.20 0.11 0.00 0.26 0.00 0.00 34.13 31.13 2qgf s GLU 62 CO 0.00 0.09 0.88 0.09 -0.54 0.00 0.00 175.26 175.78 2qgf n ASN 63 N 1.56 -4.30 -3.69 -1.70 5.03 0.18 -4.68 115.26 107.66 2qgf n ASN 63 Ca 0.01 -0.81 -0.15 0.00 0.87 0.00 0.00 54.58 54.50 2qgf n ASN 63 Cb 0.44 -3.46 -0.14 0.00 -1.02 0.00 0.00 39.78 35.60 2qgf n ASN 63 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 2qgf s THR 64 N -3.25 -0.24 0.00 3.41 2.01 -1.23 -4.98 115.64 111.36 2qgf s THR 64 Ca 0.67 0.28 0.07 0.00 0.31 0.00 0.00 61.69 63.02 2qgf s THR 64 Cb -0.35 -0.34 -0.03 0.00 0.01 0.00 0.00 72.50 71.80 2qgf s THR 64 CO 0.83 0.12 -0.22 -0.36 -0.69 0.00 0.00 174.62 174.29 2qgf s PHE 65 N 2.01 2.44 -0.21 4.92 0.40 -1.26 -1.46 117.98 124.81 2qgf s PHE 65 Ca -0.01 -0.35 -0.12 0.00 -0.60 0.00 0.00 56.93 55.86 2qgf s PHE 65 Cb -0.12 -1.49 -0.05 0.00 0.51 0.00 0.00 43.02 41.88 2qgf s PHE 65 CO -0.07 0.10 0.20 -0.51 0.70 0.00 0.00 175.22 175.64 2qgf s LEU 66 N -0.96 4.17 0.60 -0.37 1.43 -1.26 -5.06 118.68 117.23 2qgf s LEU 66 Ca 0.12 0.26 -0.18 0.00 -1.03 0.00 0.00 54.13 53.30 2qgf s LEU 66 Cb -0.10 -2.20 -0.03 0.00 0.03 0.00 0.00 46.19 43.89 2qgf s LEU 66 CO 0.01 0.09 1.19 -0.94 0.23 0.00 0.00 176.35 176.94 2qgf s SER 67 N 0.74 5.19 0.38 2.29 1.04 -1.26 -4.69 113.70 117.38 2qgf s SER 67 Ca 0.11 2.35 0.20 0.00 0.48 0.00 0.00 55.95 59.08 2qgf s SER 67 Cb -0.13 -2.59 1.18 0.00 0.10 0.00 0.00 66.02 64.58 2qgf s SER 67 CO 0.03 -1.59 1.68 1.05 0.98 0.00 0.00 173.24 175.39 2qgf h GLU 68 N 0.81 0.27 -0.75 4.02 9.09 -1.99 0.29 114.58 126.33 2qgf h GLU 68 Ca -0.50 -0.02 -0.05 0.00 0.05 0.00 0.00 59.36 58.85 2qgf h GLU 68 Cb 1.29 -0.06 -0.03 0.00 -1.65 0.00 0.00 28.75 28.30 2qgf h GLU 68 CO 0.55 0.18 0.28 -0.44 0.05 0.00 0.00 179.01 179.63 2qgf h ASP 69 N 0.28 1.05 -0.28 3.06 3.32 -2.00 -1.27 116.42 120.58 2qgf h ASP 69 Ca 0.72 -0.18 -0.11 0.00 0.02 0.00 0.00 57.03 57.48 2qgf h ASP 69 Cb 1.88 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 41.15 2qgf h ASP 69 CO -0.47 0.94 -0.26 1.56 -1.72 0.00 0.00 179.24 179.30 2qgf h GLN 70 N 1.09 0.67 -0.85 3.56 4.20 -0.81 -2.87 115.11 120.10 2qgf h GLN 70 Ca 0.25 -0.35 0.07 0.00 0.06 0.00 0.00 58.65 58.68 2qgf h GLN 70 Cb 0.24 0.01 -0.06 0.00 0.30 0.00 0.00 27.48 27.97 2qgf h GLN 70 CO -0.02 0.95 0.55 0.28 -0.67 0.00 0.00 178.83 179.93 2qgf h VAL 71 N 0.41 1.03 0.00 -0.54 2.07 -0.92 -1.52 116.25 116.78 2qgf h VAL 71 Ca 0.05 -0.31 -0.03 0.00 0.82 0.00 0.00 66.70 67.22 2qgf h VAL 71 Cb 0.82 0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 30.62 2qgf h VAL 71 CO 0.07 0.17 -0.15 0.44 0.02 0.00 0.00 177.57 178.12 2qgf h ASP 72 N 0.91 0.00 0.48 0.57 5.19 -1.01 -2.64 116.42 119.92 2qgf h ASP 72 Ca 0.37 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.77 2qgf h ASP 72 Cb 0.26 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.77 2qgf h ASP 72 CO -0.14 0.15 -0.04 1.56 -3.12 0.00 0.00 179.24 177.65 2qgf h GLN 73 N 0.00 0.00 0.00 3.56 1.08 -1.18 -2.02 115.11 116.55 2qgf h GLN 73 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2qgf h GLN 73 Cb 0.29 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.72 2qgf h GLN 73 CO 0.02 0.04 0.00 -0.07 -0.95 0.00 0.00 178.83 177.86 2qgf h LEU 74 N 0.00 0.00 -0.93 1.46 3.38 -1.58 -3.38 115.31 114.26 2qgf h LEU 74 Ca -0.00 0.00 0.28 0.00 0.09 0.00 0.00 57.88 58.25 2qgf h LEU 74 Cb 0.29 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 40.88 2qgf h LEU 74 CO 0.00 0.00 0.28 0.00 0.09 0.00 0.00 178.44 178.81 2qgf h ALA 75 N 2.36 1.46 0.00 1.53 0.00 -1.54 0.23 119.26 123.30 2qgf h ALA 75 Ca 0.00 0.25 -0.08 0.00 0.00 0.00 0.00 54.91 55.07 2qgf h ALA 75 Cb 0.59 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 2qgf h ALA 75 CO 0.00 -0.56 -0.40 -0.07 0.00 0.00 0.00 179.25 178.22 2qgf h LEU 76 N 0.16 0.00 0.00 0.00 3.38 -1.84 -3.12 115.31 113.90 2qgf h LEU 76 Ca 0.62 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 58.23 2qgf h LEU 76 Cb 1.35 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 42.03 2qgf h LEU 76 CO -0.71 0.40 -2.39 -1.22 0.09 0.00 0.00 178.44 174.61 2qgf n TYR 77 N -3.32 0.00 -2.97 1.13 4.01 -0.77 -4.85 117.16 110.38 2qgf n TYR 77 Ca 0.01 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.59 2qgf n TYR 77 Cb 0.61 -0.95 -0.01 0.00 -0.31 0.00 0.00 39.34 38.69 2qgf n TYR 77 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2qgf n ALA 78 N -3.13 0.47 0.28 -0.72 0.00 0.72 -4.79 120.51 113.35 2qgf n ALA 78 Ca -0.41 -2.38 0.17 0.00 0.00 0.00 0.00 53.44 50.82 2qgf n ALA 78 Cb 0.99 -1.08 0.77 0.00 0.00 0.00 0.00 19.45 20.13 2qgf n ALA 78 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2qgf h PRO 79 N 4.03 0.00 0.00 0.00 0.13 -1.62 -2.47 132.00 132.07 2qgf h PRO 79 Ca -0.04 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.07 2qgf h PRO 79 Cb 0.96 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.08 2qgf h PRO 79 CO 0.39 0.04 -0.38 1.96 -0.23 0.00 0.00 178.00 179.79 2qgf h GLN 80 N 0.00 0.00 -6.84 0.86 1.08 -1.89 -3.40 115.11 104.93 2qgf h GLN 80 Ca -0.00 0.00 -0.55 0.00 -1.45 0.00 0.00 58.65 56.65 2qgf h GLN 80 Cb 0.41 0.00 0.18 0.00 -0.05 0.00 0.00 27.48 28.03 2qgf h GLN 80 CO 0.01 0.08 -0.12 0.00 -0.95 0.00 0.00 178.83 177.85 2qgf n ALA 81 N -2.15 -0.87 -3.35 3.87 0.00 -0.93 -4.91 120.51 112.17 2qgf n ALA 81 Ca 0.02 -0.24 -0.30 0.00 0.00 0.00 0.00 53.44 52.92 2qgf n ALA 81 Cb 0.58 -2.00 -0.17 0.00 0.00 0.00 0.00 19.45 17.86 2qgf n ALA 81 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2qgf s THR 82 N -1.91 1.77 -0.32 0.00 2.01 -0.20 -4.06 115.64 112.92 2qgf s THR 82 Ca 0.69 -0.84 -0.08 0.00 0.31 0.00 0.00 61.69 61.77 2qgf s THR 82 Cb -0.34 -1.55 0.01 0.00 0.01 0.00 0.00 72.50 70.64 2qgf s THR 82 CO 0.54 0.49 0.13 -0.69 -0.69 0.00 0.00 174.62 174.41 2qgf s VAL 83 N 0.50 4.24 -0.16 3.82 1.01 0.18 -1.46 120.40 128.54 2qgf s VAL 83 Ca -0.16 -0.73 -0.08 0.00 0.00 0.00 0.00 61.98 61.01 2qgf s VAL 83 Cb -0.17 -3.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.91 2qgf s VAL 83 CO 0.06 -0.04 0.11 0.20 0.00 0.00 0.00 175.10 175.43 2qgf s ASN 84 N 1.53 6.12 -0.16 3.32 0.01 0.19 -1.31 114.94 124.64 2qgf s ASN 84 Ca 0.02 0.30 -0.15 0.00 -0.71 0.00 0.00 52.86 52.32 2qgf s ASN 84 Cb -0.18 -2.01 -0.04 0.00 0.41 0.00 0.00 41.25 39.42 2qgf s ASN 84 CO 0.04 0.29 0.33 -0.13 -1.51 0.00 0.00 177.10 176.13 2qgf s ARG 85 N -0.31 4.27 -0.08 -0.60 0.52 0.63 -1.02 118.95 122.36 2qgf s ARG 85 Ca 0.11 0.16 0.04 0.00 -0.52 0.00 0.00 55.73 55.52 2qgf s ARG 85 Cb -0.12 -3.44 -0.00 0.00 0.52 0.00 0.00 34.95 31.91 2qgf s ARG 85 CO 0.01 0.20 -0.23 0.42 0.02 0.00 0.00 175.30 175.72 2qgf s ILE 86 N 0.57 1.93 -0.05 1.52 1.09 0.17 -1.55 121.20 124.88 2qgf s ILE 86 Ca 0.18 -0.96 -0.04 0.00 -1.10 0.00 0.00 60.65 58.74 2qgf s ILE 86 Cb -0.13 -1.66 0.02 0.00 -1.06 0.00 0.00 42.46 39.63 2qgf s ILE 86 CO 0.05 0.53 0.13 -0.62 -0.10 0.00 0.00 174.94 174.93 2qgf s ASP 87 N 0.23 -0.12 -1.37 3.58 3.68 -0.53 -0.16 116.67 121.97 2qgf s ASP 87 Ca -0.14 0.26 -0.08 0.00 2.13 0.00 0.00 52.55 54.72 2qgf s ASP 87 Cb -0.16 0.23 0.02 0.00 -1.45 0.00 0.00 42.92 41.56 2qgf s ASP 87 CO 0.07 -0.08 1.09 -3.20 0.13 0.00 0.00 175.17 173.18 2qgf n ASN 88 N 3.42 -5.17 0.00 -0.34 5.15 -1.24 -1.60 115.26 115.48 2qgf n ASN 88 Ca -0.17 -0.62 0.00 0.00 -0.60 0.00 0.00 54.58 53.19 2qgf n ASN 88 Cb 0.57 -4.75 0.00 0.00 -0.53 0.00 0.00 39.78 35.07 2qgf n ASN 88 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 2qgf n TYR 89 N -4.78 0.00 -4.17 1.20 4.01 -0.54 -4.95 117.16 107.92 2qgf n TYR 89 Ca -0.04 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.57 2qgf n TYR 89 Cb 0.57 -1.53 -0.11 0.00 -0.31 0.00 0.00 39.34 37.97 2qgf n TYR 89 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 2qgf s GLU 90 N -1.38 0.83 -0.87 -0.72 0.41 -0.63 -5.06 118.70 111.27 2qgf s GLU 90 Ca 0.00 -1.19 -0.25 0.00 -0.41 0.00 0.00 54.97 53.12 2qgf s GLU 90 Cb 0.00 -0.43 -0.04 0.00 -1.78 0.00 0.00 34.13 31.89 2qgf s GLU 90 CO 0.00 0.05 1.90 0.08 -0.49 0.00 0.00 175.26 176.80 2qgf s VAL 91 N -2.72 3.47 0.13 2.63 1.01 -1.26 -1.45 120.40 122.21 2qgf s VAL 91 Ca 0.07 -0.31 -0.04 0.00 0.00 0.00 0.00 61.98 61.70 2qgf s VAL 91 Cb -0.01 -4.08 -0.18 0.00 0.00 0.00 0.00 36.38 32.12 2qgf s VAL 91 CO -0.01 -1.02 1.31 0.58 0.00 0.00 0.00 175.10 175.96 2qgf h VAL 92 N 7.17 1.41 -3.80 2.92 2.07 -1.56 -3.47 116.25 121.00 2qgf h VAL 92 Ca 0.05 -2.47 -0.30 0.00 0.82 0.00 0.00 66.70 64.81 2qgf h VAL 92 Cb 1.03 2.42 -0.18 0.00 -1.52 0.00 0.00 31.29 33.04 2qgf h VAL 92 CO 1.23 0.73 -0.73 -0.83 0.02 0.00 0.00 177.57 177.99 2qgf s GLY 93 N -4.43 0.77 -0.17 2.17 0.00 -1.11 -4.99 107.32 99.57 2qgf s GLY 93 Ca -0.05 -1.13 -0.06 0.00 0.00 0.00 0.00 44.72 43.48 2qgf s GLY 93 CO 0.86 -1.20 0.34 1.25 0.00 0.00 0.00 173.10 174.35 2qgf s LYS 94 N -2.69 0.24 0.27 2.90 2.20 -1.26 -0.27 119.74 121.13 2qgf s LYS 94 Ca 0.03 0.86 0.02 0.00 -0.36 0.00 0.00 55.97 56.52 2qgf s LYS 94 Cb -0.03 0.10 -0.05 0.00 -1.51 0.00 0.00 37.83 36.33 2qgf s LYS 94 CO -0.01 -0.29 0.08 -1.54 -0.36 0.00 0.00 175.35 173.24 2qgf s SER 95 N 2.51 1.44 0.11 1.43 1.04 -0.42 -4.99 113.70 114.82 2qgf s SER 95 Ca 0.00 -1.37 0.04 0.00 0.48 0.00 0.00 55.95 55.10 2qgf s SER 95 Cb -0.12 0.11 -0.04 0.00 0.10 0.00 0.00 66.02 66.07 2qgf s SER 95 CO -0.11 -0.70 -0.10 -0.13 0.98 0.00 0.00 173.24 173.19 2qgf s ARG 96 N -4.00 0.89 -0.06 4.02 0.52 -1.26 -0.65 118.95 118.41 2qgf s ARG 96 Ca 0.37 -1.24 -0.29 0.00 -0.52 0.00 0.00 55.73 54.05 2qgf s ARG 96 Cb 0.08 -0.50 -0.07 0.00 0.52 0.00 0.00 34.95 34.98 2qgf s ARG 96 CO 0.14 0.07 1.97 -2.14 0.02 0.00 0.00 175.30 175.36 2qgf s PRO 97 N -3.13 3.86 -0.04 3.54 0.02 -1.26 -4.79 135.00 133.20 2qgf s PRO 97 Ca 0.09 2.34 0.00 0.00 0.02 0.00 0.00 61.00 63.45 2qgf s PRO 97 Cb -0.01 -4.19 -0.03 0.00 0.02 0.00 0.00 34.50 30.29 2qgf s PRO 97 CO -0.01 -1.27 -0.00 0.45 -0.33 0.00 0.00 177.00 175.84 2qgf s SER 98 N 5.31 5.13 -0.11 2.53 0.15 -1.26 -4.79 113.70 120.65 2qgf s SER 98 Ca 0.89 0.06 -0.34 0.00 0.70 0.00 0.00 55.95 57.26 2qgf s SER 98 Cb -0.38 -1.38 -0.11 0.00 -1.71 0.00 0.00 66.02 62.44 2qgf s SER 98 CO 0.38 0.33 1.94 -0.11 1.20 0.00 0.00 173.24 176.98 2qgf n LEU 99 N 1.78 3.40 -4.62 3.45 7.94 -1.26 -4.47 117.00 123.22 2qgf n LEU 99 Ca -0.16 0.87 -0.30 0.00 -1.11 0.00 0.00 56.01 55.31 2qgf n LEU 99 Cb 0.53 -1.39 0.22 0.00 0.53 0.00 0.00 43.42 43.32 2qgf n LEU 99 CO 0.31 -0.13 0.63 -2.16 -1.11 0.00 0.00 177.39 174.93 2qgf s PRO 100 N 4.46 -0.80 -0.21 1.96 0.04 -1.26 -5.01 135.00 134.18 2qgf s PRO 100 Ca 0.94 0.08 -0.00 0.00 0.04 0.00 0.00 61.00 62.06 2qgf s PRO 100 Cb -0.66 -1.63 -0.20 0.00 0.04 0.00 0.00 34.50 32.05 2qgf s PRO 100 CO 0.50 -3.46 -0.03 -1.91 0.04 0.00 0.00 177.00 172.14 2qgf n GLU 101 N -4.61 0.69 -4.19 4.56 2.13 -1.26 -4.72 120.64 113.24 2qgf n GLU 101 Ca 0.11 0.18 -0.15 0.00 0.66 0.00 0.00 57.16 57.96 2qgf n GLU 101 Cb 0.59 -1.58 -0.11 0.00 0.27 0.00 0.00 31.44 30.61 2qgf n GLU 101 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 2qgf s ARG 102 N -2.53 0.89 -0.29 5.31 0.52 -1.26 -0.71 118.95 120.88 2qgf s ARG 102 Ca -0.30 -1.19 0.01 0.00 -0.52 0.00 0.00 55.73 53.72 2qgf s ARG 102 Cb 0.08 -0.60 0.09 0.00 0.52 0.00 0.00 34.95 35.04 2qgf s ARG 102 CO 0.66 0.10 0.04 0.42 0.02 0.00 0.00 175.30 176.53 2qgf s ILE 103 N -2.46 1.42 0.25 1.52 1.01 -0.82 -4.93 121.20 117.19 2qgf s ILE 103 Ca 0.07 -1.56 -0.07 0.00 0.00 0.00 0.00 60.65 59.09 2qgf s ILE 103 Cb -0.03 -1.95 -0.06 0.00 0.01 0.00 0.00 42.46 40.44 2qgf s ILE 103 CO 0.01 -0.46 0.53 -1.81 0.00 0.00 0.00 174.94 173.21 2qgf s ASP 104 N 1.37 6.52 0.00 3.58 1.01 -1.26 -3.08 116.67 124.81 2qgf s ASP 104 Ca 0.05 0.79 0.00 0.00 0.71 0.00 0.00 52.55 54.10 2qgf s ASP 104 Cb -0.18 -2.17 0.00 0.00 1.01 0.00 0.00 42.92 41.58 2qgf s ASP 104 CO -0.14 -0.12 0.00 -0.46 0.21 0.00 0.00 175.17 174.66 2qgf n ASN 105 N -0.51 -0.04 -0.00 0.27 6.94 -0.76 -4.59 115.26 116.57 2qgf n ASN 105 Ca -0.01 0.02 0.04 0.00 -0.02 0.00 0.00 54.58 54.61 2qgf n ASN 105 Cb 0.53 -0.28 -0.06 0.00 -2.36 0.00 0.00 39.78 37.61 2qgf n ASN 105 CO 0.00 0.00 0.00 1.33 -1.03 0.00 0.00 177.26 177.56 2qgf n VAL 106 N -0.58 0.00 -3.62 3.53 0.24 -1.26 -4.86 118.33 111.78 2qgf n VAL 106 Ca 0.00 -0.21 -0.21 0.00 -2.04 0.00 0.00 64.34 61.88 2qgf n VAL 106 Cb 0.02 0.44 -0.03 0.00 -1.47 0.00 0.00 33.84 32.80 2qgf n VAL 106 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2qgf s LEU 107 N -3.35 3.54 -0.10 1.34 1.43 -1.26 -5.11 118.68 115.17 2qgf s LEU 107 Ca -0.02 -0.58 0.00 0.00 -1.03 0.00 0.00 54.13 52.51 2qgf s LEU 107 Cb 0.05 -2.21 0.02 0.00 0.03 0.00 0.00 46.19 44.08 2qgf s LEU 107 CO 0.34 -0.52 -0.09 -0.69 0.23 0.00 0.00 176.35 175.63 2qgf s VAL 108 N -2.37 1.03 -0.00 -1.59 1.01 -1.26 -4.77 120.40 112.44 2qgf s VAL 108 Ca 0.45 -0.34 -0.30 0.00 0.00 0.00 0.00 61.98 61.80 2qgf s VAL 108 Cb -0.05 -1.02 -0.08 0.00 0.00 0.00 0.00 36.38 35.23 2qgf s VAL 108 CO 0.28 0.36 2.00 0.00 0.00 0.00 0.00 175.10 177.74 2qgf n PRO 110 N 7.71 0.36 -2.55 0.00 -0.04 -1.26 -4.59 135.00 134.63 2qgf n PRO 110 Ca 0.21 0.08 -0.43 0.00 -0.04 0.00 0.00 63.50 63.32 2qgf n PRO 110 Cb 0.42 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.36 2qgf n PRO 110 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 2qgf s ASN 111 N -2.32 6.66 0.52 3.54 2.47 -1.26 -4.89 114.94 119.66 2qgf s ASN 111 Ca 0.19 0.76 0.33 0.00 0.42 0.00 0.00 52.86 54.56 2qgf s ASN 111 Cb 0.11 -2.55 1.42 0.00 -1.45 0.00 0.00 41.25 38.78 2qgf s ASN 111 CO 0.22 -1.17 1.98 0.77 -3.72 0.00 0.00 177.10 175.18 2qgf h SER 112 N 9.20 0.00 -0.52 -4.21 4.64 -2.02 -2.32 113.55 118.32 2qgf h SER 112 Ca -0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 2qgf h SER 112 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 2qgf h SER 112 CO 1.09 0.00 0.00 -3.20 -0.87 0.00 0.00 176.83 173.85 2qgf n ASN 113 N -2.96 3.23 -4.76 4.97 5.15 -1.26 -4.94 115.26 114.69 2qgf n ASN 113 Ca 0.00 -1.97 -0.41 0.00 -0.60 0.00 0.00 54.58 51.61 2qgf n ASN 113 Cb 0.27 -0.34 -0.03 0.00 -0.53 0.00 0.00 39.78 39.15 2qgf n ASN 113 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2qgf h ILE 115 N 3.20 0.00 -0.25 0.00 6.09 -1.92 -3.20 117.51 121.43 2qgf h ILE 115 Ca -0.47 -0.22 -0.02 0.00 -1.37 0.00 0.00 64.86 62.78 2qgf h ILE 115 Cb 1.22 1.19 -0.01 0.00 0.47 0.00 0.00 36.82 39.68 2qgf h ILE 115 CO 0.68 0.00 0.09 0.77 -3.07 0.00 0.00 178.15 176.62 2qgf h SER 116 N 0.00 0.32 0.60 2.19 4.64 -1.94 -3.29 113.55 116.06 2qgf h SER 116 Ca 0.00 -0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 61.27 2qgf h SER 116 Cb 0.22 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.22 2qgf h SER 116 CO 0.00 0.31 -0.46 0.45 -0.87 0.00 0.00 176.83 176.26 2qgf h HIS 117 N 0.36 -1.25 -0.20 4.77 3.86 -1.92 -3.18 115.15 117.59 2qgf h HIS 117 Ca 0.09 -0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.21 2qgf h HIS 117 Cb 0.10 0.47 -0.05 0.00 1.06 0.00 0.00 27.41 28.99 2qgf h HIS 117 CO 0.00 -0.65 0.11 0.00 0.86 0.00 0.00 177.93 178.25 2qgf n ALA 118 N -2.72 3.09 -2.12 2.45 0.00 -1.24 -4.93 120.51 115.04 2qgf n ALA 118 Ca -0.12 -0.58 -0.08 0.00 0.00 0.00 0.00 53.44 52.65 2qgf n ALA 118 Cb 0.44 -1.08 -0.10 0.00 0.00 0.00 0.00 19.45 18.71 2qgf n ALA 118 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2qgf s GLU 119 N -0.90 0.73 -0.10 0.00 0.41 -1.20 -5.05 118.70 112.59 2qgf s GLU 119 Ca 0.12 -1.30 -0.04 0.00 -0.41 0.00 0.00 54.97 53.35 2qgf s GLU 119 Cb 0.10 0.18 -0.15 0.00 -1.78 0.00 0.00 34.13 32.49 2qgf s GLU 119 CO 0.03 -0.15 2.33 -2.30 -0.49 0.00 0.00 175.26 174.68 2qgf n PRO 120 N 0.03 1.29 -4.17 0.39 -0.02 -1.26 -4.81 135.00 126.46 2qgf n PRO 120 Ca -0.11 -0.69 -0.16 0.00 -2.02 0.00 0.00 63.50 60.52 2qgf n PRO 120 Cb 0.62 -1.87 -0.13 0.00 -0.02 0.00 0.00 33.50 32.10 2qgf n PRO 120 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2qgf s VAL 121 N 1.98 0.53 0.19 -1.45 -7.23 -1.26 -5.13 120.40 108.03 2qgf s VAL 121 Ca 0.40 -0.56 -0.28 0.00 -1.81 0.00 0.00 61.98 59.73 2qgf s VAL 121 Cb 0.18 -0.50 -0.08 0.00 0.56 0.00 0.00 36.38 36.54 2qgf s VAL 121 CO -0.00 -0.03 0.89 -0.44 -0.31 0.00 0.00 175.10 175.20 2qgf s SER 122 N -0.65 7.53 0.88 4.85 0.01 -1.26 -5.01 113.70 120.05 2qgf s SER 122 Ca -0.02 1.81 -0.11 0.00 1.31 0.00 0.00 55.95 58.94 2qgf s SER 122 Cb -0.05 -2.57 0.12 0.00 0.21 0.00 0.00 66.02 63.73 2qgf s SER 122 CO 0.00 0.13 1.09 -0.94 0.41 0.00 0.00 173.24 173.93 2qgf s SER 123 N -0.92 3.54 -0.28 2.44 1.04 -1.26 -4.80 113.70 113.46 2qgf s SER 123 Ca 0.40 1.62 -0.18 0.00 0.48 0.00 0.00 55.95 58.27 2qgf s SER 123 Cb -0.24 -2.29 0.09 0.00 0.10 0.00 0.00 66.02 63.67 2qgf s SER 123 CO 0.29 -2.62 0.74 -0.55 0.98 0.00 0.00 173.24 172.09 2qgf s SER 124 N -3.31 -0.84 0.04 7.02 0.15 -1.26 -1.82 113.70 113.68 2qgf s SER 124 Ca 0.63 1.41 0.05 0.00 0.70 0.00 0.00 55.95 58.74 2qgf s SER 124 Cb -0.18 1.37 -0.02 0.00 -1.71 0.00 0.00 66.02 65.47 2qgf s SER 124 CO 0.57 -0.23 -0.15 -0.36 1.20 0.00 0.00 173.24 174.27 2qgf s PHE 125 N 1.29 1.32 -0.26 3.44 0.40 -1.18 -1.49 117.98 121.51 2qgf s PHE 125 Ca -0.07 -0.36 -0.14 0.00 -0.60 0.00 0.00 56.93 55.76 2qgf s PHE 125 Cb -0.05 -0.78 -0.04 0.00 0.51 0.00 0.00 43.02 42.66 2qgf s PHE 125 CO -0.15 0.05 0.31 0.00 0.70 0.00 0.00 175.22 176.13 2qgf s ALA 126 N -0.87 3.56 -0.01 5.36 0.00 0.43 -1.95 121.76 128.29 2qgf s ALA 126 Ca 0.02 -0.83 -0.27 0.00 0.00 0.00 0.00 51.96 50.88 2qgf s ALA 126 Cb -0.08 -2.60 -0.04 0.00 0.00 0.00 0.00 23.12 20.40 2qgf s ALA 126 CO 0.01 -0.51 0.87 0.08 0.00 0.00 0.00 175.76 176.21 2qgf s VAL 127 N 1.74 4.88 -0.17 0.00 1.01 0.11 -2.10 120.40 125.86 2qgf s VAL 127 Ca 0.13 1.82 -0.04 0.00 0.00 0.00 0.00 61.98 63.89 2qgf s VAL 127 Cb -0.15 -4.21 0.06 0.00 0.00 0.00 0.00 36.38 32.07 2qgf s VAL 127 CO 0.09 0.23 0.06 -0.60 0.00 0.00 0.00 175.10 174.88 2qgf s ARG 128 N 0.73 0.31 0.07 2.72 3.52 -0.70 -4.89 118.95 120.71 2qgf s ARG 128 Ca 0.45 -0.18 -0.24 0.00 -0.13 0.00 0.00 55.73 55.63 2qgf s ARG 128 Cb -0.20 -1.84 -0.06 0.00 -1.56 0.00 0.00 34.95 31.29 2qgf s ARG 128 CO 0.25 -0.63 0.74 0.21 -0.81 0.00 0.00 175.30 175.06 2qgf s LYS 129 N 2.02 4.48 -0.51 5.12 2.20 -1.26 -1.69 119.74 130.10 2qgf s LYS 129 Ca 0.01 1.03 0.07 0.00 -0.36 0.00 0.00 55.97 56.73 2qgf s LYS 129 Cb -0.16 -3.33 0.34 0.00 -1.51 0.00 0.00 37.83 33.17 2qgf s LYS 129 CO -0.08 0.38 0.86 2.89 -0.36 0.00 0.00 175.35 179.04 2qgf n ARG 130 N 2.44 2.42 -2.47 4.03 1.85 -0.36 -4.96 116.66 119.62 2qgf n ARG 130 Ca -0.04 -4.33 -0.02 0.00 -1.00 0.00 0.00 57.85 52.46 2qgf n ARG 130 Cb 0.50 -2.04 0.00 0.00 -1.05 0.00 0.00 32.46 29.87 2qgf n ARG 130 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2qgf n ALA 131 N -0.02 -3.29 0.00 2.89 0.00 -1.26 -4.05 120.51 114.78 2qgf n ALA 131 Ca 0.29 0.52 0.00 0.00 0.00 0.00 0.00 53.44 54.25 2qgf n ALA 131 Cb 0.48 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.60 2qgf n ALA 131 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2qgf n ASN 132 N 0.32 0.00 -4.73 0.00 3.02 -1.26 -4.91 115.26 107.69 2qgf n ASN 132 Ca 0.02 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.16 2qgf n ASN 132 Cb 0.09 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.22 2qgf n ASN 132 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2qgf s ASP 133 N 0.00 7.48 -0.24 6.41 2.15 -1.26 -5.02 116.67 126.20 2qgf s ASP 133 Ca 0.00 1.79 -0.02 0.00 0.43 0.00 0.00 52.55 54.75 2qgf s ASP 133 Cb 0.00 -2.59 0.02 0.00 -0.30 0.00 0.00 42.92 40.05 2qgf s ASP 133 CO 0.00 -0.09 -0.06 -0.63 -0.17 0.00 0.00 175.17 174.23 2qgf s ILE 134 N 0.07 3.01 0.01 4.11 1.01 -1.26 -1.22 121.20 126.93 2qgf s ILE 134 Ca 0.47 -0.86 -0.20 0.00 0.00 0.00 0.00 60.65 60.06 2qgf s ILE 134 Cb -0.23 -2.47 -0.06 0.00 0.01 0.00 0.00 42.46 39.71 2qgf s ILE 134 CO 0.30 0.27 0.59 0.00 0.00 0.00 0.00 174.94 176.10 2qgf s ALA 135 N 1.37 3.51 -0.19 9.38 0.00 -0.68 0.17 121.76 135.31 2qgf s ALA 135 Ca 0.02 0.03 0.01 0.00 0.00 0.00 0.00 51.96 52.02 2qgf s ALA 135 Cb -0.16 -2.72 0.03 0.00 0.00 0.00 0.00 23.12 20.27 2qgf s ALA 135 CO -0.04 0.21 -0.16 -0.51 0.00 0.00 0.00 175.76 175.25 2qgf s LEU 136 N -0.36 2.29 -0.24 0.00 1.43 0.16 -1.72 118.68 120.25 2qgf s LEU 136 Ca 0.31 -0.77 -0.10 0.00 -1.03 0.00 0.00 54.13 52.53 2qgf s LEU 136 Cb -0.18 -1.41 -0.05 0.00 0.03 0.00 0.00 46.19 44.58 2qgf s LEU 136 CO 0.17 -0.06 0.15 -0.75 0.23 0.00 0.00 176.35 176.10 2qgf s LYS 137 N 1.31 4.07 0.24 1.70 2.20 -0.89 -0.89 119.74 127.47 2qgf s LYS 137 Ca 0.02 -0.27 -0.30 0.00 -0.36 0.00 0.00 55.97 55.06 2qgf s LYS 137 Cb -0.14 -3.52 -0.09 0.00 -1.51 0.00 0.00 37.83 32.56 2qgf s LYS 137 CO -0.11 0.08 1.28 0.00 -0.36 0.00 0.00 175.35 176.24 2qgf h LYS 139 N 4.69 0.05 0.00 0.00 3.64 -1.60 -1.65 116.57 121.71 2qgf h LYS 139 Ca -0.46 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 2qgf h LYS 139 Cb 1.22 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 2qgf h LYS 139 CO 0.73 0.36 -0.25 1.88 -2.27 0.00 0.00 179.45 179.90 2qgf h TYR 140 N 0.05 0.00 0.00 1.91 0.05 -1.92 -3.40 116.97 113.66 2qgf h TYR 140 Ca 0.01 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.79 2qgf h TYR 140 Cb 0.57 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.31 2qgf h TYR 140 CO 0.00 0.00 -0.02 0.00 -1.05 0.00 0.00 178.16 177.09 2qgf n GLU 142 N -1.58 -1.25 -3.03 0.00 1.02 -0.62 -4.98 120.64 110.19 2qgf n GLU 142 Ca 0.07 0.95 -0.33 0.00 -0.02 0.00 0.00 57.16 57.83 2qgf n GLU 142 Cb 0.35 -5.16 -0.06 0.00 -0.02 0.00 0.00 31.44 26.55 2qgf n GLU 142 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2qgf s LYS 143 N -3.05 4.10 -0.16 3.49 -0.14 -1.26 -4.71 119.74 118.01 2qgf s LYS 143 Ca 0.00 0.83 -0.01 0.00 -1.36 0.00 0.00 55.97 55.43 2qgf s LYS 143 Cb 0.00 -2.40 -0.01 0.00 -1.68 0.00 0.00 37.83 33.74 2qgf s LYS 143 CO 0.00 0.12 -0.11 -2.00 -0.76 0.00 0.00 175.35 172.60 2qgf s GLU 144 N -2.95 3.36 0.33 1.68 2.12 -1.26 -0.17 118.70 121.80 2qgf s GLU 144 Ca 0.56 -0.67 0.10 0.00 0.36 0.00 0.00 54.97 55.31 2qgf s GLU 144 Cb -0.10 -2.75 -0.06 0.00 0.26 0.00 0.00 34.13 31.47 2qgf s GLU 144 CO 0.16 0.05 -0.11 -0.06 -0.54 0.00 0.00 175.26 174.77 2qgf s PHE 145 N 0.78 2.33 0.51 5.30 0.40 -0.07 -4.91 117.98 122.31 2qgf s PHE 145 Ca -0.04 -0.50 -0.19 0.00 -0.60 0.00 0.00 56.93 55.60 2qgf s PHE 145 Cb -0.15 -1.29 -0.08 0.00 0.51 0.00 0.00 43.02 42.02 2qgf s PHE 145 CO 0.01 0.57 1.03 0.45 0.70 0.00 0.00 175.22 177.99 2qgf s SER 146 N -3.57 6.28 0.51 1.36 0.15 -1.26 -0.66 113.70 116.50 2qgf s SER 146 Ca 0.32 1.86 0.26 0.00 0.70 0.00 0.00 55.95 59.09 2qgf s SER 146 Cb 0.01 -2.55 1.40 0.00 -1.71 0.00 0.00 66.02 63.18 2qgf s SER 146 CO 0.16 -0.82 2.06 1.12 1.20 0.00 0.00 173.24 176.95 2qgf h HIS 147 N 1.29 0.00 0.87 3.44 2.07 -0.63 -2.49 115.15 119.70 2qgf h HIS 147 Ca -0.49 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 56.99 2qgf h HIS 147 Cb 1.21 0.00 0.01 0.00 2.57 0.00 0.00 27.41 31.20 2qgf h HIS 147 CO 0.58 0.13 -0.42 -0.91 -3.07 0.00 0.00 177.93 174.24 2qgf h ASN 148 N 0.00 -0.99 -0.03 3.10 2.35 -1.91 -0.89 115.58 117.20 2qgf h ASN 148 Ca -0.00 0.03 0.04 0.00 -0.55 0.00 0.00 56.30 55.82 2qgf h ASN 148 Cb 0.35 0.26 -0.05 0.00 0.05 0.00 0.00 38.32 38.93 2qgf h ASN 148 CO 0.02 -0.71 -0.28 0.58 -1.65 0.00 0.00 177.43 175.39 2qgf h VAL 149 N -1.18 0.38 -1.01 2.81 2.07 -1.84 -2.41 116.25 115.07 2qgf h VAL 149 Ca -0.12 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.41 2qgf h VAL 149 Cb 0.90 0.38 -0.05 0.00 -1.52 0.00 0.00 31.29 30.99 2qgf h VAL 149 CO 0.20 0.00 0.67 0.58 0.02 0.00 0.00 177.57 179.03 2qgf h VAL 150 N -0.40 1.25 0.00 2.57 2.07 -1.44 -3.00 116.25 117.29 2qgf h VAL 150 Ca 0.07 -0.46 -0.06 0.00 0.82 0.00 0.00 66.70 67.07 2qgf h VAL 150 Cb 0.50 -0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.04 2qgf h VAL 150 CO -0.26 0.25 -0.27 -0.07 0.02 0.00 0.00 177.57 177.24 2qgf h LEU 151 N 1.35 0.00 -2.30 2.57 3.38 -0.69 -2.65 115.31 116.97 2qgf h LEU 151 Ca 0.37 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.37 2qgf h LEU 151 Cb -0.14 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 2qgf h LEU 151 CO -0.09 0.27 0.22 0.00 0.09 0.00 0.00 178.44 178.94 2qgf h ALA 152 N 1.73 1.51 -0.00 1.53 0.00 -1.30 -3.51 119.26 119.21 2qgf h ALA 152 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2qgf h ALA 152 Cb 0.56 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2qgf h ALA 152 CO 0.04 -0.28 0.00 0.09 0.00 0.00 0.00 179.25 179.10