#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 0.16 -3.81 2.03 -1.04 -1.26 -4.96 114.28 105.41 2qgf n THR 2 Ca 0.00 -0.03 -0.30 0.00 -2.04 0.00 0.00 64.05 61.68 2qgf n THR 2 Cb 0.00 -0.90 -0.15 0.00 -1.82 0.00 0.00 70.33 67.46 2qgf n THR 2 CO 0.00 0.00 0.00 -2.28 -0.64 0.00 0.00 175.07 172.15 2qgf s HIS 3 N 2.68 2.27 -0.15 -1.42 2.46 -1.26 -5.10 115.29 114.78 2qgf s HIS 3 Ca 0.97 -2.10 -0.03 0.00 0.47 0.00 0.00 55.06 54.37 2qgf s HIS 3 Cb -1.17 -2.05 -0.02 0.00 -0.13 0.00 0.00 32.58 29.21 2qgf s HIS 3 CO 0.66 -0.89 -0.06 0.34 -2.47 0.00 0.00 174.74 172.32 2qgf s ASP 4 N 1.38 4.62 -0.43 9.88 2.15 -1.26 -5.01 116.67 128.00 2qgf s ASP 4 Ca 0.10 -0.18 0.08 0.00 0.43 0.00 0.00 52.55 52.98 2qgf s ASP 4 Cb -0.18 -1.74 0.42 0.00 -0.30 0.00 0.00 42.92 41.11 2qgf s ASP 4 CO -0.20 0.16 1.06 0.59 -0.17 0.00 0.00 175.17 176.61 2qgf n ASN 5 N 3.56 3.96 0.06 -0.34 4.13 -1.26 -4.45 115.26 120.93 2qgf n ASN 5 Ca -0.18 -3.51 0.00 0.00 1.68 0.00 0.00 54.58 52.58 2qgf n ASN 5 Cb 0.52 -0.49 0.00 0.00 -1.54 0.00 0.00 39.78 38.28 2qgf n ASN 5 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 2qgf n LYS 6 N -0.36 0.00 -0.31 3.52 5.02 -1.26 -4.92 118.16 119.84 2qgf n LYS 6 Ca 0.32 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.70 2qgf n LYS 6 Cb 0.67 0.00 0.25 0.00 -0.02 0.00 0.00 35.03 35.92 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 -2.83 3.57 -4.52 -0.35 4.32 -1.26 -5.05 117.00 110.88 2qgf n LEU 7 Ca 0.00 -2.10 -0.38 0.00 -0.02 0.00 0.00 56.01 53.50 2qgf n LEU 7 Cb 0.00 -0.38 0.04 0.00 -1.62 0.00 0.00 43.42 41.45 2qgf n LEU 7 CO 0.00 0.84 0.23 0.00 -1.22 0.00 0.00 177.39 177.23 2qgf n GLN 8 N 0.96 0.67 -2.23 3.23 0.00 -1.26 -4.98 117.38 113.77 2qgf n GLN 8 Ca 0.19 0.26 -0.39 0.00 0.00 0.00 0.00 57.00 57.06 2qgf n GLN 8 Cb 0.58 -1.84 -0.02 0.00 0.00 0.00 0.00 30.24 28.96 2qgf n GLN 8 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 2qgf s VAL 9 N -1.62 3.00 0.13 -0.39 1.01 -1.26 -4.96 120.40 116.31 2qgf s VAL 9 Ca 0.70 0.89 -0.31 0.00 0.00 0.00 0.00 61.98 63.25 2qgf s VAL 9 Cb -0.46 -3.52 -0.09 0.00 0.00 0.00 0.00 36.38 32.32 2qgf s VAL 9 CO 0.53 0.12 1.49 -1.83 0.00 0.00 0.00 175.10 175.41 2qgf s GLU 10 N -2.16 4.26 0.88 2.72 -1.05 -1.26 -5.00 118.70 117.08 2qgf s GLU 10 Ca 0.55 2.22 -0.11 0.00 -0.15 0.00 0.00 54.97 57.48 2qgf s GLU 10 Cb -0.33 -3.26 0.12 0.00 -0.44 0.00 0.00 34.13 30.22 2qgf s GLU 10 CO 0.43 -0.55 1.10 0.00 0.95 0.00 0.00 175.26 177.19 2qgf s ALA 11 N 1.33 1.64 -0.00 -0.84 0.00 -1.26 -5.07 121.76 117.56 2qgf s ALA 11 Ca 0.68 0.17 0.03 0.00 0.00 0.00 0.00 51.96 52.83 2qgf s ALA 11 Cb -0.40 -3.27 -0.03 0.00 0.00 0.00 0.00 23.12 19.42 2qgf s ALA 11 CO 0.31 -2.33 -0.05 0.96 0.00 0.00 0.00 175.76 174.65 2qgf s ILE 12 N -2.84 3.78 -0.01 0.00 -4.36 -1.26 -5.03 121.20 111.49 2qgf s ILE 12 Ca 0.64 -0.70 -0.22 0.00 -0.26 0.00 0.00 60.65 60.10 2qgf s ILE 12 Cb -0.19 -2.65 -0.20 0.00 1.25 0.00 0.00 42.46 40.67 2qgf s ILE 12 CO 0.57 0.41 1.16 0.50 0.24 0.00 0.00 174.94 177.82 2qgf h LYS 13 N 4.54 0.27 -3.29 0.37 3.64 -1.97 -3.38 116.57 116.75 2qgf h LYS 13 Ca -0.49 -0.22 -0.20 0.00 -1.27 0.00 0.00 60.65 58.48 2qgf h LYS 13 Cb 1.17 0.05 -0.28 0.00 -0.41 0.00 0.00 32.23 32.76 2qgf h LYS 13 CO 0.54 0.87 -0.53 0.50 -2.27 0.00 0.00 179.45 178.56 2qgf s ARG 14 N -3.60 0.18 0.00 1.90 3.52 -1.26 0.31 118.95 120.00 2qgf s ARG 14 Ca -0.15 0.28 0.00 0.00 -0.13 0.00 0.00 55.73 55.73 2qgf s ARG 14 Cb 0.03 0.03 0.00 0.00 -1.56 0.00 0.00 34.95 33.45 2qgf s ARG 14 CO 0.76 -0.06 0.00 0.41 -0.81 0.00 0.00 175.30 175.60 2qgf n GLY 15 N 3.32 -0.09 3.12 8.12 0.00 -0.17 -0.48 105.19 119.01 2qgf n GLY 15 Ca -0.16 -0.99 -0.23 0.00 0.00 0.00 0.00 46.02 44.64 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 -4.00 1.15 -0.13 2.61 2.01 -0.37 -0.15 115.64 116.78 2qgf s THR 16 Ca 0.00 -0.65 0.00 0.00 0.31 0.00 0.00 61.69 61.36 2qgf s THR 16 Cb 0.00 -0.97 0.02 0.00 0.01 0.00 0.00 72.50 71.57 2qgf s THR 16 CO 0.00 0.31 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.43 2qgf s VAL 17 N -0.37 1.35 -0.33 3.82 1.01 -0.72 -0.67 120.40 124.49 2qgf s VAL 17 Ca 0.05 -0.51 -0.11 0.00 0.00 0.00 0.00 61.98 61.41 2qgf s VAL 17 Cb -0.06 -1.29 -0.00 0.00 0.00 0.00 0.00 36.38 35.03 2qgf s VAL 17 CO -0.00 0.42 0.19 -0.63 0.00 0.00 0.00 175.10 175.08 2qgf s ILE 18 N 1.43 4.83 0.38 2.22 1.01 0.24 -1.26 121.20 130.05 2qgf s ILE 18 Ca 0.02 -0.42 0.08 0.00 0.00 0.00 0.00 60.65 60.32 2qgf s ILE 18 Cb -0.13 -3.51 -0.05 0.00 0.01 0.00 0.00 42.46 38.78 2qgf s ILE 18 CO -0.08 -0.01 0.11 -0.62 0.00 0.00 0.00 174.94 174.35 2qgf s ASP 19 N 1.64 4.34 -1.03 3.58 2.15 0.08 -0.77 116.67 126.66 2qgf s ASP 19 Ca 0.05 -1.04 0.00 0.00 0.43 0.00 0.00 52.55 51.99 2qgf s ASP 19 Cb -0.17 -0.52 0.00 0.00 -0.30 0.00 0.00 42.92 41.92 2qgf s ASP 19 CO 0.08 -0.41 0.00 0.00 -0.17 0.00 0.00 175.17 174.66 2qgf n ALA 20 N -1.12 -0.15 -2.06 3.66 0.00 -1.25 -0.95 120.51 118.64 2qgf n ALA 20 Ca -0.03 0.16 -0.42 0.00 0.00 0.00 0.00 53.44 53.15 2qgf n ALA 20 Cb 0.64 -1.45 -0.03 0.00 0.00 0.00 0.00 19.45 18.61 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 -2.09 3.07 0.53 0.00 1.01 -1.21 -4.07 121.20 118.44 2qgf s ILE 21 Ca 0.00 0.72 -0.21 0.00 0.00 0.00 0.00 60.65 61.16 2qgf s ILE 21 Cb 0.00 -3.46 -0.05 0.00 0.01 0.00 0.00 42.46 38.96 2qgf s ILE 21 CO 0.00 0.04 1.27 -2.16 0.00 0.00 0.00 174.94 174.09 2qgf s PRO 22 N 1.47 3.27 0.59 2.79 0.04 -1.26 -0.67 135.00 141.23 2qgf s PRO 22 Ca 0.68 2.02 -0.18 0.00 0.04 0.00 0.00 61.00 63.55 2qgf s PRO 22 Cb -0.39 -2.23 -0.06 0.00 0.04 0.00 0.00 34.50 31.86 2qgf s PRO 22 CO 0.30 -1.02 0.85 0.00 0.04 0.00 0.00 177.00 177.17 2qgf n ALA 23 N -1.00 -0.18 -0.37 8.56 0.00 -1.22 -2.58 120.51 123.71 2qgf n ALA 23 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 2qgf n ALA 23 Cb 0.47 -2.03 0.00 0.00 0.00 0.00 0.00 19.45 17.88 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 -0.74 0.00 -0.07 0.00 1.13 -1.26 -4.76 117.38 111.68 2qgf n GLN 24 Ca 0.13 0.00 -0.05 0.00 -1.94 0.00 0.00 57.00 55.14 2qgf n GLN 24 Cb 0.47 -2.78 -0.16 0.00 0.11 0.00 0.00 30.24 27.89 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 1.11 -0.28 5.09 2.08 -1.07 -4.47 119.36 119.83 2qgf n ILE 25 Ca 0.00 -0.77 0.05 0.00 0.56 0.00 0.00 62.75 62.59 2qgf n ILE 25 Cb 0.00 -0.42 0.19 0.00 -0.75 0.00 0.00 39.64 38.66 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 3.95 1.26 1.29 7.39 0.00 -1.86 0.82 103.07 115.91 2qgf h GLY 26 Ca -0.40 -0.23 -0.13 0.00 0.00 0.00 0.00 47.33 46.57 2qgf h GLY 26 CO 0.03 -0.02 -0.29 -2.75 0.00 0.00 0.00 176.54 173.51 2qgf h PHE 27 N 0.59 0.93 -0.54 5.60 3.57 -1.95 -2.24 116.94 122.91 2qgf h PHE 27 Ca 0.42 -0.24 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 2qgf h PHE 27 Cb 0.57 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 39.07 2qgf h PHE 27 CO -0.11 1.00 0.30 -0.22 -2.23 0.00 0.00 178.31 177.05 2qgf h LYS 28 N 0.68 0.74 -0.93 1.11 3.64 -1.29 -1.43 116.57 119.09 2qgf h LYS 28 Ca 0.08 -0.08 0.03 0.00 -1.27 0.00 0.00 60.65 59.41 2qgf h LYS 28 Cb 0.83 -0.15 -0.05 0.00 -0.41 0.00 0.00 32.23 32.45 2qgf h LYS 28 CO 0.07 0.57 0.61 -0.07 -2.27 0.00 0.00 179.45 178.36 2qgf h LEU 29 N 0.72 1.02 -0.38 5.20 3.38 -0.63 0.20 115.31 124.82 2qgf h LEU 29 Ca 0.19 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.12 2qgf h LEU 29 Cb 0.03 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 2qgf h LEU 29 CO -0.03 0.71 0.13 -0.07 0.09 0.00 0.00 178.44 179.27 2qgf h LEU 30 N 1.20 0.54 0.46 1.67 3.38 -0.82 -2.36 115.31 119.38 2qgf h LEU 30 Ca 0.37 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 2qgf h LEU 30 Cb -0.03 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.59 2qgf h LEU 30 CO -0.11 0.58 -0.22 0.28 0.09 0.00 0.00 178.44 179.06 2qgf h SER 31 N 0.47 -0.53 -0.55 -0.43 0.02 -0.69 -1.68 113.55 110.16 2qgf h SER 31 Ca 0.12 0.02 0.11 0.00 -0.84 0.00 0.00 61.79 61.20 2qgf h SER 31 Cb 0.23 0.14 -0.10 0.00 0.14 0.00 0.00 62.40 62.80 2qgf h SER 31 CO -0.01 -0.35 -0.08 -0.07 -1.14 0.00 0.00 176.83 175.18 2qgf h LEU 32 N -0.67 -0.39 -2.09 5.07 3.38 -0.70 -2.40 115.31 117.52 2qgf h LEU 32 Ca -0.06 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2qgf h LEU 32 Cb 0.48 0.30 0.00 0.00 0.09 0.00 0.00 40.66 41.52 2qgf h LEU 32 CO 0.10 -0.15 0.00 0.49 0.09 0.00 0.00 178.44 178.98 2qgf n PHE 33 N -5.33 0.76 -3.90 1.13 3.72 -0.89 -4.86 117.46 108.08 2qgf n PHE 33 Ca 0.06 -0.38 -0.28 0.00 -0.05 0.00 0.00 57.45 56.81 2qgf n PHE 33 Cb 0.30 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.85 2qgf n PHE 33 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2qgf n LYS 34 N 1.16 -4.67 0.22 -1.08 4.01 -0.90 -4.87 118.16 112.03 2qgf n LYS 34 Ca 0.19 0.54 0.15 0.00 -0.51 0.00 0.00 58.31 58.68 2qgf n LYS 34 Cb 0.48 -5.18 0.57 0.00 -0.51 0.00 0.00 35.03 30.38 2qgf n LYS 34 CO 0.00 0.00 0.00 -0.07 -1.11 0.00 0.00 177.40 176.22 2qgf h LEU 35 N -1.91 0.00 0.00 -0.35 3.38 -1.56 -3.12 115.31 111.75 2qgf h LEU 35 Ca -0.60 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.37 2qgf h LEU 35 Cb 1.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.12 2qgf h LEU 35 CO 0.65 0.00 -0.77 0.71 0.09 0.00 0.00 178.44 179.12 2qgf h THR 36 N 0.00 0.00 0.00 0.22 1.35 -1.90 -3.40 112.91 109.18 2qgf h THR 36 Ca 0.00 -0.67 -0.68 0.00 -0.55 0.00 0.00 66.41 64.51 2qgf h THR 36 Cb 0.53 1.21 -0.01 0.00 -1.73 0.00 0.00 68.15 68.16 2qgf h THR 36 CO 0.00 0.00 2.94 -0.62 -0.25 0.00 0.00 175.52 177.59 2qgf n GLU 37 N -2.32 2.50 -3.79 4.72 1.02 -1.18 -4.79 120.64 116.81 2qgf n GLU 37 Ca 0.02 -2.32 -0.10 0.00 -0.02 0.00 0.00 57.16 54.74 2qgf n GLU 37 Cb 0.48 -3.12 -0.04 0.00 -0.02 0.00 0.00 31.44 28.73 2qgf n GLU 37 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 2qgf s THR 38 N 3.64 0.03 -0.54 2.62 -1.32 -1.26 -5.06 115.64 113.75 2qgf s THR 38 Ca 0.51 -0.92 0.21 0.00 -1.21 0.00 0.00 61.69 60.29 2qgf s THR 38 Cb 0.14 -1.64 -0.28 0.00 -1.51 0.00 0.00 72.50 69.21 2qgf s THR 38 CO -0.03 -0.15 0.70 -0.90 -2.21 0.00 0.00 174.62 172.03 2qgf n ASP 39 N -0.32 0.53 -4.72 8.08 5.75 -1.26 -4.99 116.55 119.62 2qgf n ASP 39 Ca -0.09 -0.53 -0.31 0.00 -0.01 0.00 0.00 54.79 53.85 2qgf n ASP 39 Cb 0.62 1.47 0.13 0.00 -1.03 0.00 0.00 41.12 42.32 2qgf n ASP 39 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 2qgf s GLN 40 N -3.24 1.60 -0.06 0.11 -1.52 -1.26 -4.93 119.66 110.36 2qgf s GLN 40 Ca 0.00 1.36 -0.30 0.00 -1.95 0.00 0.00 55.36 54.48 2qgf s GLN 40 Cb 0.15 -1.81 -0.04 0.00 -0.22 0.00 0.00 33.01 31.09 2qgf s GLN 40 CO 0.89 -2.17 1.43 0.50 -0.25 0.00 0.00 175.29 175.69 2qgf s ARG 41 N -4.77 4.24 -0.03 2.91 3.52 -1.26 -4.87 118.95 118.69 2qgf s ARG 41 Ca 0.64 1.94 0.07 0.00 -0.13 0.00 0.00 55.73 58.25 2qgf s ARG 41 Cb -0.20 -3.73 -0.02 0.00 -1.56 0.00 0.00 34.95 29.44 2qgf s ARG 41 CO 0.57 -0.68 -0.25 0.42 -0.81 0.00 0.00 175.30 174.55 2qgf s ILE 42 N 3.13 2.16 -0.10 4.11 1.01 -1.26 -1.34 121.20 128.90 2qgf s ILE 42 Ca 0.64 -1.06 0.01 0.00 0.00 0.00 0.00 60.65 60.24 2qgf s ILE 42 Cb -0.29 -1.76 0.02 0.00 0.01 0.00 0.00 42.46 40.44 2qgf s ILE 42 CO 0.24 0.58 -0.13 -0.89 0.00 0.00 0.00 174.94 174.75 2qgf s THR 43 N -0.57 1.28 -0.04 2.92 2.01 -0.13 -4.99 115.64 116.13 2qgf s THR 43 Ca 0.08 -0.51 0.07 0.00 0.31 0.00 0.00 61.69 61.64 2qgf s THR 43 Cb -0.11 -1.20 -0.01 0.00 0.01 0.00 0.00 72.50 71.19 2qgf s THR 43 CO -0.00 0.40 -0.25 -0.63 -0.69 0.00 0.00 174.62 173.45 2qgf s ILE 44 N 1.07 1.99 -0.11 1.82 1.01 -1.26 -1.05 121.20 124.67 2qgf s ILE 44 Ca -0.06 -1.05 0.03 0.00 0.00 0.00 0.00 60.65 59.57 2qgf s ILE 44 Cb -0.15 -1.67 0.01 0.00 0.01 0.00 0.00 42.46 40.66 2qgf s ILE 44 CO -0.02 0.56 -0.20 -0.83 0.00 0.00 0.00 174.94 174.45 2qgf s GLY 45 N -0.34 1.21 -0.04 6.18 0.00 -0.30 -5.01 107.32 109.03 2qgf s GLY 45 Ca 0.02 -0.88 0.06 0.00 0.00 0.00 0.00 44.72 43.92 2qgf s GLY 45 CO 0.02 -0.09 -0.21 1.08 0.00 0.00 0.00 173.10 173.89 2qgf s LEU 46 N 0.61 2.01 -1.38 0.66 1.43 -1.26 -1.05 118.68 119.69 2qgf s LEU 46 Ca -0.13 -0.41 -0.01 0.00 -1.03 0.00 0.00 54.13 52.54 2qgf s LEU 46 Cb -0.17 -1.14 0.00 0.00 0.03 0.00 0.00 46.19 44.92 2qgf s LEU 46 CO 0.04 0.23 0.16 0.59 0.23 0.00 0.00 176.35 177.59 2qgf n ASN 47 N 2.83 -5.07 -4.76 2.29 3.02 -0.95 -4.96 115.26 107.67 2qgf n ASN 47 Ca -0.17 -0.08 -0.39 0.00 -0.03 0.00 0.00 54.58 53.91 2qgf n ASN 47 Cb 0.52 -4.08 0.03 0.00 -0.61 0.00 0.00 39.78 35.64 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 -5.05 4.00 0.11 3.41 1.43 0.25 -4.51 118.68 118.32 2qgf s LEU 48 Ca 0.08 2.88 -0.27 0.00 -1.03 0.00 0.00 54.13 55.79 2qgf s LEU 48 Cb -0.03 -4.08 -0.06 0.00 0.03 0.00 0.00 46.19 42.05 2qgf s LEU 48 CO 0.10 -1.36 0.84 -2.16 0.23 0.00 0.00 176.35 173.99 2qgf s PRO 49 N -2.65 4.60 -0.29 1.29 0.04 -1.26 0.51 135.00 137.24 2qgf s PRO 49 Ca 0.66 1.23 0.03 0.00 0.04 0.00 0.00 61.00 62.96 2qgf s PRO 49 Cb -0.43 -3.34 0.20 0.00 0.04 0.00 0.00 34.50 30.97 2qgf s PRO 49 CO 0.53 0.35 0.66 -1.12 0.04 0.00 0.00 177.00 177.47 2qgf s SER 50 N -0.40 -1.45 0.57 6.66 0.01 -0.13 -4.88 113.70 114.09 2qgf s SER 50 Ca 0.40 0.14 0.41 0.00 1.31 0.00 0.00 55.95 58.21 2qgf s SER 50 Cb -0.22 1.91 1.47 0.00 0.21 0.00 0.00 66.02 69.39 2qgf s SER 50 CO 0.26 -0.26 1.56 1.23 0.41 0.00 0.00 173.24 176.44 2qgf h GLY 51 N 7.84 0.00 0.71 3.44 0.00 -1.96 1.37 103.07 114.47 2qgf h GLY 51 Ca -0.02 0.00 0.16 0.00 0.00 0.00 0.00 47.33 47.47 2qgf h GLY 51 CO 0.11 0.00 0.48 0.83 0.00 0.00 0.00 176.54 177.96 2qgf h GLU 52 N 0.00 0.23 0.00 4.80 5.08 -2.01 -3.29 114.58 119.39 2qgf h GLU 52 Ca 0.72 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 59.06 2qgf h GLU 52 Cb 3.16 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 32.35 2qgf h GLU 52 CO -0.01 0.15 0.00 0.00 -1.00 0.00 0.00 179.01 178.16 2qgf n MET 53 N -4.43 0.00 0.00 2.33 0.00 0.13 -5.09 117.12 110.06 2qgf n MET 53 Ca 0.13 -0.14 0.00 0.00 0.00 0.00 0.00 57.70 57.69 2qgf n MET 53 Cb 0.60 -0.29 0.00 0.00 0.00 0.00 0.00 33.22 33.53 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 0.00 2.24 3.10 3.17 0.00 0.42 -4.84 105.19 109.28 2qgf n GLY 54 Ca 0.00 -0.26 -0.25 0.00 0.00 0.00 0.00 46.02 45.50 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 1.73 0.23 1.61 0.52 -1.25 -0.95 118.95 120.84 2qgf s ARG 55 Ca 0.00 -0.55 0.01 0.00 -0.52 0.00 0.00 55.73 54.67 2qgf s ARG 55 Cb 0.00 -1.48 -0.05 0.00 0.52 0.00 0.00 34.95 33.94 2qgf s ARG 55 CO 0.00 0.18 0.09 -1.59 0.02 0.00 0.00 175.30 174.00 2qgf s LYS 56 N 0.20 1.31 0.41 3.54 -2.85 0.18 -3.39 119.74 119.15 2qgf s LYS 56 Ca -0.07 -1.70 0.07 0.00 -1.00 0.00 0.00 55.97 53.28 2qgf s LYS 56 Cb -0.12 -0.13 -0.04 0.00 -2.06 0.00 0.00 37.83 35.47 2qgf s LYS 56 CO 0.03 -0.30 0.24 -0.51 0.10 0.00 0.00 175.35 174.91 2qgf s ASP 57 N -3.25 4.61 -0.24 0.03 -0.00 0.16 0.87 116.67 118.85 2qgf s ASP 57 Ca 0.36 -0.97 -0.26 0.00 -0.00 0.00 0.00 52.55 51.68 2qgf s ASP 57 Cb 0.07 -0.51 0.07 0.00 -0.00 0.00 0.00 42.92 42.55 2qgf s ASP 57 CO 0.12 -0.57 0.72 -0.22 -0.00 0.00 0.00 175.17 175.21 2qgf s LEU 58 N -3.97 -0.74 -0.02 1.23 0.20 -0.22 -3.33 118.68 111.84 2qgf s LEU 58 Ca 0.43 1.35 0.01 0.00 0.69 0.00 0.00 54.13 56.61 2qgf s LEU 58 Cb 0.02 2.48 0.01 0.00 -0.43 0.00 0.00 46.19 48.26 2qgf s LEU 58 CO 0.24 -0.30 -0.03 -0.63 -0.29 0.00 0.00 176.35 175.34 2qgf s ILE 59 N 0.17 0.32 -0.14 6.68 1.01 0.05 -1.15 121.20 128.15 2qgf s ILE 59 Ca -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 60.65 60.53 2qgf s ILE 59 Cb -0.04 -0.33 0.02 0.00 0.01 0.00 0.00 42.46 42.13 2qgf s ILE 59 CO 0.02 0.13 -0.11 -0.54 0.00 0.00 0.00 174.94 174.44 2qgf s LYS 60 N 0.35 1.98 -0.19 2.79 1.02 -0.22 0.81 119.74 126.29 2qgf s LYS 60 Ca -0.04 -0.44 -0.03 0.00 0.02 0.00 0.00 55.97 55.48 2qgf s LYS 60 Cb -0.07 -1.91 -0.01 0.00 -0.52 0.00 0.00 37.83 35.32 2qgf s LYS 60 CO -0.01 -0.26 -0.06 0.42 -0.92 0.00 0.00 175.35 174.53 2qgf s ILE 61 N 1.57 3.43 0.16 2.17 1.09 0.15 -0.95 121.20 128.82 2qgf s ILE 61 Ca 0.05 -0.50 -0.25 0.00 -1.10 0.00 0.00 60.65 58.85 2qgf s ILE 61 Cb -0.13 -2.52 -0.08 0.00 -1.06 0.00 0.00 42.46 38.67 2qgf s ILE 61 CO -0.10 0.46 0.76 -0.70 -0.10 0.00 0.00 174.94 175.26 2qgf s GLU 62 N 0.99 4.54 -1.41 2.79 2.12 -0.45 -1.23 118.70 126.05 2qgf s GLU 62 Ca -0.00 1.13 -0.07 0.00 0.36 0.00 0.00 54.97 56.39 2qgf s GLU 62 Cb -0.15 -3.26 0.04 0.00 0.26 0.00 0.00 34.13 31.02 2qgf s GLU 62 CO 0.00 0.58 0.54 0.09 -0.54 0.00 0.00 175.26 175.93 2qgf n ASN 63 N 1.61 -4.86 -3.92 -1.70 3.02 0.37 -4.57 115.26 105.21 2qgf n ASN 63 Ca -0.06 -0.33 -0.14 0.00 -0.03 0.00 0.00 54.58 54.02 2qgf n ASN 63 Cb 0.49 -3.96 -0.14 0.00 -0.61 0.00 0.00 39.78 35.55 2qgf n ASN 63 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2qgf s THR 64 N -3.04 0.23 -0.05 3.41 2.01 -1.26 -4.98 115.64 111.97 2qgf s THR 64 Ca 0.35 -0.14 0.03 0.00 0.31 0.00 0.00 61.69 62.23 2qgf s THR 64 Cb -0.17 -0.21 0.01 0.00 0.01 0.00 0.00 72.50 72.14 2qgf s THR 64 CO 0.43 0.06 -0.12 -0.36 -0.69 0.00 0.00 174.62 173.93 2qgf s PHE 65 N -0.10 1.37 -0.12 4.92 0.40 -1.26 -2.52 117.98 120.68 2qgf s PHE 65 Ca 0.01 -0.43 -0.14 0.00 -0.60 0.00 0.00 56.93 55.77 2qgf s PHE 65 Cb -0.01 -0.98 -0.05 0.00 0.51 0.00 0.00 43.02 42.49 2qgf s PHE 65 CO -0.00 -0.20 0.31 -0.51 0.70 0.00 0.00 175.22 175.52 2qgf s LEU 66 N 0.37 4.31 0.88 -0.37 1.43 -1.26 -5.08 118.68 118.96 2qgf s LEU 66 Ca -0.09 0.61 -0.13 0.00 -1.03 0.00 0.00 54.13 53.50 2qgf s LEU 66 Cb -0.13 -2.40 0.12 0.00 0.03 0.00 0.00 46.19 43.81 2qgf s LEU 66 CO 0.02 0.17 1.18 -0.94 0.23 0.00 0.00 176.35 177.01 2qgf s SER 67 N 0.01 3.86 0.23 2.29 1.04 -1.26 -4.81 113.70 115.06 2qgf s SER 67 Ca 0.18 0.80 -0.06 0.00 0.48 0.00 0.00 55.95 57.35 2qgf s SER 67 Cb -0.14 -1.27 0.35 0.00 0.10 0.00 0.00 66.02 65.06 2qgf s SER 67 CO 0.06 -2.31 1.79 1.05 0.98 0.00 0.00 173.24 174.82 2qgf h GLU 68 N -1.34 0.67 0.33 4.02 9.09 -1.99 -1.21 114.58 124.15 2qgf h GLU 68 Ca -0.48 -0.04 -0.02 0.00 0.05 0.00 0.00 59.36 58.88 2qgf h GLU 68 Cb 1.32 -0.15 0.00 0.00 -1.65 0.00 0.00 28.75 28.27 2qgf h GLU 68 CO 0.61 0.44 -0.16 -0.44 0.05 0.00 0.00 179.01 179.51 2qgf h ASP 69 N 0.69 -0.37 -0.83 3.06 3.45 -1.99 -0.55 116.42 119.88 2qgf h ASP 69 Ca 0.36 -0.08 0.13 0.00 0.43 0.00 0.00 57.03 57.87 2qgf h ASP 69 Cb 0.34 0.10 -0.09 0.00 -0.56 0.00 0.00 39.33 39.12 2qgf h ASP 69 CO -0.25 -0.14 0.44 1.56 -1.57 0.00 0.00 179.24 179.28 2qgf h GLN 70 N -0.59 0.66 -0.33 3.56 4.20 -1.86 -1.02 115.11 119.73 2qgf h GLN 70 Ca -0.04 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.57 2qgf h GLN 70 Cb 0.43 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 2qgf h GLN 70 CO 0.07 0.43 0.01 0.28 -0.67 0.00 0.00 178.83 178.95 2qgf h VAL 71 N 0.68 1.26 -0.82 -0.54 2.07 -1.11 -2.76 116.25 115.03 2qgf h VAL 71 Ca 0.43 -0.95 0.21 0.00 0.82 0.00 0.00 66.70 67.22 2qgf h VAL 71 Cb 0.54 1.22 -0.05 0.00 -1.52 0.00 0.00 31.29 31.48 2qgf h VAL 71 CO -0.32 0.31 0.57 0.44 0.02 0.00 0.00 177.57 178.59 2qgf h ASP 72 N 0.39 0.18 0.21 0.57 3.45 0.21 -1.03 116.42 120.41 2qgf h ASP 72 Ca 0.10 0.02 0.00 0.00 0.43 0.00 0.00 57.03 57.57 2qgf h ASP 72 Cb 0.44 -0.02 0.00 0.00 -0.56 0.00 0.00 39.33 39.19 2qgf h ASP 72 CO 0.02 0.07 0.00 1.56 -1.57 0.00 0.00 179.24 179.32 2qgf h GLN 73 N 0.18 0.00 -0.00 3.56 1.08 -1.08 -1.25 115.11 117.60 2qgf h GLN 73 Ca 0.40 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.60 2qgf h GLN 73 Cb 1.31 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.74 2qgf h GLN 73 CO -0.08 0.00 -0.08 1.28 -0.95 0.00 0.00 178.83 179.00 2qgf n LEU 74 N -2.72 0.12 -0.22 1.46 4.77 -0.39 -4.23 117.00 115.79 2qgf n LEU 74 Ca -0.01 0.35 0.31 0.00 -0.03 0.00 0.00 56.01 56.62 2qgf n LEU 74 Cb 0.11 -0.40 0.73 0.00 -2.33 0.00 0.00 43.42 41.53 2qgf n LEU 74 CO 0.17 0.03 1.28 0.00 -1.33 0.00 0.00 177.39 177.54 2qgf h ALA 75 N 3.12 2.91 0.01 -1.18 0.00 -1.38 -0.91 119.26 121.83 2qgf h ALA 75 Ca 0.00 -0.03 -0.25 0.00 0.00 0.00 0.00 54.91 54.63 2qgf h ALA 75 Cb 0.45 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 2qgf h ALA 75 CO 0.00 -1.25 -1.29 -0.07 0.00 0.00 0.00 179.25 176.63 2qgf h LEU 76 N 0.00 0.02 0.00 0.00 3.38 -1.83 -3.36 115.31 113.52 2qgf h LEU 76 Ca 0.47 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.41 2qgf h LEU 76 Cb 1.96 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.70 2qgf h LEU 76 CO -0.00 1.02 -0.55 -1.22 0.09 0.00 0.00 178.44 177.78 2qgf n TYR 77 N -3.24 0.49 -3.60 1.13 4.01 -0.67 -4.76 117.16 110.53 2qgf n TYR 77 Ca -0.07 0.21 -0.27 0.00 -0.16 0.00 0.00 57.90 57.61 2qgf n TYR 77 Cb 0.99 -0.58 -0.10 0.00 -0.31 0.00 0.00 39.34 39.35 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 -3.62 3.82 0.26 -0.72 0.00 -0.43 -4.89 120.51 114.93 2qgf n ALA 78 Ca -0.08 -4.67 0.11 0.00 0.00 0.00 0.00 53.44 48.80 2qgf n ALA 78 Cb 0.29 -0.95 0.75 0.00 0.00 0.00 0.00 19.45 19.54 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 4.63 0.00 -0.47 0.00 0.13 -1.71 -1.94 132.00 132.65 2qgf h PRO 79 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 2qgf h PRO 79 Cb 0.70 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.83 2qgf h PRO 79 CO 0.79 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.56 2qgf n GLN 80 N -4.24 3.44 -2.02 0.86 -0.00 -1.26 -4.24 117.38 109.91 2qgf n GLN 80 Ca -0.02 -2.73 -0.34 0.00 -0.00 0.00 0.00 57.00 53.91 2qgf n GLN 80 Cb 0.12 -1.78 0.02 0.00 -0.00 0.00 0.00 30.24 28.59 2qgf n GLN 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2qgf s ALA 81 N -2.04 2.62 -0.14 2.61 0.00 -0.73 -4.81 121.76 119.27 2qgf s ALA 81 Ca 0.43 0.60 -0.00 0.00 0.00 0.00 0.00 51.96 52.99 2qgf s ALA 81 Cb 0.30 -3.31 -0.01 0.00 0.00 0.00 0.00 23.12 20.10 2qgf s ALA 81 CO 0.17 -0.97 -0.14 0.99 0.00 0.00 0.00 175.76 175.82 2qgf s THR 82 N -2.17 2.91 -0.44 0.00 2.01 -0.12 -4.26 115.64 113.56 2qgf s THR 82 Ca 0.68 -0.70 -0.08 0.00 0.31 0.00 0.00 61.69 61.89 2qgf s THR 82 Cb -0.20 -2.22 0.10 0.00 0.01 0.00 0.00 72.50 70.18 2qgf s THR 82 CO 0.35 0.52 0.29 -0.69 -0.69 0.00 0.00 174.62 174.40 2qgf s VAL 83 N 0.54 4.11 -0.34 3.82 1.01 -0.46 -0.74 120.40 128.35 2qgf s VAL 83 Ca -0.09 -1.65 -0.16 0.00 0.00 0.00 0.00 61.98 60.08 2qgf s VAL 83 Cb -0.16 -3.63 -0.01 0.00 0.00 0.00 0.00 36.38 32.58 2qgf s VAL 83 CO 0.04 -0.65 0.42 0.20 0.00 0.00 0.00 175.10 175.11 2qgf s ASN 84 N 2.34 6.24 -0.18 3.32 0.01 -0.39 -1.16 114.94 125.12 2qgf s ASN 84 Ca 0.05 -0.09 -0.29 0.00 -0.71 0.00 0.00 52.86 51.82 2qgf s ASN 84 Cb -0.24 -2.23 -0.00 0.00 0.41 0.00 0.00 41.25 39.19 2qgf s ASN 84 CO 0.00 -0.38 1.11 -0.60 -1.51 0.00 0.00 177.10 175.73 2qgf s ARG 85 N 2.17 4.28 -0.00 -0.60 3.52 0.12 -1.75 118.95 126.69 2qgf s ARG 85 Ca 0.15 1.47 0.02 0.00 -0.13 0.00 0.00 55.73 57.24 2qgf s ARG 85 Cb -0.16 -3.66 -0.04 0.00 -1.56 0.00 0.00 34.95 29.54 2qgf s ARG 85 CO 0.12 -0.60 -0.02 0.42 -0.81 0.00 0.00 175.30 174.41 2qgf s ILE 86 N 3.05 3.99 -0.25 4.11 1.01 0.79 -0.85 121.20 133.05 2qgf s ILE 86 Ca 0.48 -0.65 -0.12 0.00 0.00 0.00 0.00 60.65 60.36 2qgf s ILE 86 Cb -0.18 -2.77 0.09 0.00 0.01 0.00 0.00 42.46 39.61 2qgf s ILE 86 CO 0.11 0.38 0.60 -0.62 0.00 0.00 0.00 174.94 175.42 2qgf s ASP 87 N -1.50 -0.84 -1.37 3.58 -1.08 -0.49 -1.00 116.67 113.97 2qgf s ASP 87 Ca 0.19 1.36 -0.06 0.00 -0.52 0.00 0.00 52.55 53.52 2qgf s ASP 87 Cb -0.11 1.47 0.03 0.00 -1.46 0.00 0.00 42.92 42.85 2qgf s ASP 87 CO 0.09 -0.23 0.92 0.59 0.52 0.00 0.00 175.17 177.07 2qgf n ASN 88 N 4.67 -3.33 -0.75 -0.34 3.02 0.15 -1.71 115.26 116.98 2qgf n ASN 88 Ca -0.18 -0.73 -0.10 0.00 -0.03 0.00 0.00 54.58 53.55 2qgf n ASN 88 Cb 0.55 -4.35 -0.04 0.00 -0.61 0.00 0.00 39.78 35.33 2qgf n ASN 88 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2qgf n TYR 89 N -4.51 0.00 -4.14 3.10 4.01 -0.77 -4.99 117.16 109.86 2qgf n TYR 89 Ca -0.14 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.45 2qgf n TYR 89 Cb 0.61 -2.26 -0.14 0.00 -0.31 0.00 0.00 39.34 37.24 2qgf n TYR 89 CO 0.00 0.00 0.00 -1.83 -0.46 0.00 0.00 176.86 174.57 2qgf s GLU 90 N -2.64 0.46 -0.87 -0.72 -1.05 -0.69 -5.08 118.70 108.11 2qgf s GLU 90 Ca 0.00 -0.32 -0.25 0.00 -0.15 0.00 0.00 54.97 54.25 2qgf s GLU 90 Cb 0.00 -0.39 -0.07 0.00 -0.44 0.00 0.00 34.13 33.23 2qgf s GLU 90 CO 0.00 0.10 2.05 0.08 0.95 0.00 0.00 175.26 178.44 2qgf s VAL 91 N -0.41 3.34 -2.00 1.83 1.01 -1.26 -1.39 120.40 121.52 2qgf s VAL 91 Ca -0.01 -0.27 0.06 0.00 0.00 0.00 0.00 61.98 61.76 2qgf s VAL 91 Cb -0.04 -3.78 0.16 0.00 0.00 0.00 0.00 36.38 32.72 2qgf s VAL 91 CO -0.00 -0.73 0.88 0.55 0.00 0.00 0.00 175.10 175.80 2qgf n VAL 92 N 8.06 0.00 0.00 2.92 3.14 -0.03 -4.82 118.33 127.61 2qgf n VAL 92 Ca 0.41 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.79 2qgf n VAL 92 Cb 0.46 -0.33 0.00 0.00 -1.06 0.00 0.00 33.84 32.91 2qgf n VAL 92 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2qgf n GLY 93 N 0.14 4.16 0.23 7.55 0.00 -1.18 -4.96 105.19 111.14 2qgf n GLY 93 Ca 0.04 -0.39 -0.01 0.00 0.00 0.00 0.00 46.02 45.66 2qgf n GLY 93 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qgf n LYS 94 N -1.14 0.83 -3.64 1.61 5.02 -1.26 0.15 118.16 119.72 2qgf n LYS 94 Ca 0.00 -0.18 -0.06 0.00 -2.02 0.00 0.00 58.31 56.05 2qgf n LYS 94 Cb 0.00 -0.02 -0.07 0.00 -0.02 0.00 0.00 35.03 34.92 2qgf n LYS 94 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2qgf s SER 95 N -1.22 -0.35 0.08 4.39 0.01 -0.31 -4.77 113.70 111.52 2qgf s SER 95 Ca 0.04 0.65 0.07 0.00 1.31 0.00 0.00 55.95 58.01 2qgf s SER 95 Cb -0.00 0.75 -0.04 0.00 0.21 0.00 0.00 66.02 66.94 2qgf s SER 95 CO 0.02 -0.11 -0.12 -0.13 0.41 0.00 0.00 173.24 173.32 2qgf s ARG 96 N 0.38 2.15 -0.08 12.44 1.81 -1.26 -1.35 118.95 133.04 2qgf s ARG 96 Ca 0.02 -0.98 -0.30 0.00 -1.72 0.00 0.00 55.73 52.75 2qgf s ARG 96 Cb -0.05 -2.30 -0.04 0.00 -0.45 0.00 0.00 34.95 32.12 2qgf s ARG 96 CO -0.10 0.53 1.33 -2.14 -0.68 0.00 0.00 175.30 174.24 2qgf s PRO 97 N -1.93 4.27 -0.11 3.54 0.02 -1.26 -4.86 135.00 134.67 2qgf s PRO 97 Ca 0.19 1.82 -0.05 0.00 0.02 0.00 0.00 61.00 62.97 2qgf s PRO 97 Cb -0.11 -3.68 -0.04 0.00 0.02 0.00 0.00 34.50 30.69 2qgf s PRO 97 CO 0.11 -0.62 0.09 -1.12 -0.33 0.00 0.00 177.00 175.13 2qgf s SER 98 N 1.99 5.97 -0.04 2.53 0.01 -1.26 -4.86 113.70 118.04 2qgf s SER 98 Ca 0.60 0.34 -0.30 0.00 1.31 0.00 0.00 55.95 57.90 2qgf s SER 98 Cb -0.27 -1.87 -0.06 0.00 0.21 0.00 0.00 66.02 64.04 2qgf s SER 98 CO 0.22 0.39 1.68 -0.22 0.41 0.00 0.00 173.24 175.71 2qgf s LEU 99 N -0.89 4.34 0.82 2.44 2.96 -1.26 -4.47 118.68 122.61 2qgf s LEU 99 Ca 0.14 2.29 -0.11 0.00 -0.22 0.00 0.00 54.13 56.23 2qgf s LEU 99 Cb -0.12 -3.54 0.11 0.00 0.50 0.00 0.00 46.19 43.15 2qgf s LEU 99 CO 0.03 -0.93 1.17 -2.16 -1.32 0.00 0.00 176.35 173.14 2qgf s PRO 100 N 3.98 1.65 0.27 0.98 0.04 -1.26 -4.99 135.00 135.67 2qgf s PRO 100 Ca 0.75 -0.17 0.19 0.00 0.04 0.00 0.00 61.00 61.81 2qgf s PRO 100 Cb -0.35 -1.99 0.09 0.00 0.04 0.00 0.00 34.50 32.30 2qgf s PRO 100 CO 0.31 -1.73 1.31 1.05 0.04 0.00 0.00 177.00 177.98 2qgf h GLU 101 N -1.09 0.00 -3.78 4.56 -0.00 -1.94 -3.42 114.58 108.92 2qgf h GLU 101 Ca -0.45 0.00 -0.17 0.00 -0.00 0.00 0.00 59.36 58.74 2qgf h GLU 101 Cb 1.30 0.00 -0.22 0.00 -0.00 0.00 0.00 28.75 29.83 2qgf h GLU 101 CO 0.56 0.24 -0.63 0.50 -0.00 0.00 0.00 179.01 179.68 2qgf s ARG 102 N -3.09 0.33 -0.10 1.06 3.52 -1.26 0.30 118.95 119.71 2qgf s ARG 102 Ca 0.03 -0.44 -0.01 0.00 -0.13 0.00 0.00 55.73 55.18 2qgf s ARG 102 Cb 0.07 0.13 0.03 0.00 -1.56 0.00 0.00 34.95 33.62 2qgf s ARG 102 CO 0.74 -0.06 -0.04 0.42 -0.81 0.00 0.00 175.30 175.55 2qgf s ILE 103 N -1.22 0.77 0.31 4.11 1.01 -0.24 -4.92 121.20 121.02 2qgf s ILE 103 Ca -0.13 -0.16 0.08 0.00 0.00 0.00 0.00 60.65 60.44 2qgf s ILE 103 Cb -0.08 -0.86 -0.04 0.00 0.01 0.00 0.00 42.46 41.49 2qgf s ILE 103 CO -0.00 0.30 0.12 -1.81 0.00 0.00 0.00 174.94 173.55 2qgf s ASP 104 N 1.81 4.80 0.00 3.58 -0.00 -1.26 -1.24 116.67 124.36 2qgf s ASP 104 Ca 0.05 -0.65 0.00 0.00 -0.00 0.00 0.00 52.55 51.95 2qgf s ASP 104 Cb -0.13 -0.86 0.00 0.00 -0.00 0.00 0.00 42.92 41.93 2qgf s ASP 104 CO -0.07 -0.19 0.00 0.59 -0.00 0.00 0.00 175.17 175.50 2qgf n ASN 105 N -1.10 0.00 0.13 0.27 4.13 0.99 -4.56 115.26 115.11 2qgf n ASN 105 Ca -0.04 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.22 2qgf n ASN 105 Cb 0.60 0.00 0.08 0.00 -1.54 0.00 0.00 39.78 38.92 2qgf n ASN 105 CO 0.00 0.00 0.00 -0.37 0.28 0.00 0.00 177.26 177.17 2qgf h VAL 106 N 0.00 1.18 -3.27 2.41 -1.51 -1.88 -3.43 116.25 109.75 2qgf h VAL 106 Ca 0.00 -2.36 -0.47 0.00 -1.23 0.00 0.00 66.70 62.64 2qgf h VAL 106 Cb 0.00 2.38 0.04 0.00 -2.13 0.00 0.00 31.29 31.58 2qgf h VAL 106 CO 0.00 0.61 0.06 -0.76 -1.23 0.00 0.00 177.57 176.25 2qgf s LEU 107 N -6.83 3.41 -0.01 4.19 1.43 -1.26 -5.10 118.68 114.50 2qgf s LEU 107 Ca 0.01 0.54 0.05 0.00 -1.03 0.00 0.00 54.13 53.70 2qgf s LEU 107 Cb 0.10 -3.39 -0.01 0.00 0.03 0.00 0.00 46.19 42.92 2qgf s LEU 107 CO 0.75 -0.91 -0.15 -0.69 0.23 0.00 0.00 176.35 175.58 2qgf s VAL 108 N -2.81 1.21 0.09 -1.59 1.01 -1.26 -4.72 120.40 112.32 2qgf s VAL 108 Ca 0.52 -0.65 -0.31 0.00 0.00 0.00 0.00 61.98 61.54 2qgf s VAL 108 Cb -0.10 -1.01 -0.07 0.00 0.00 0.00 0.00 36.38 35.20 2qgf s VAL 108 CO 0.42 0.34 1.31 0.00 0.00 0.00 0.00 175.10 177.18 2qgf h PRO 110 N 6.83 0.00 -5.98 0.00 0.11 -1.91 -3.43 132.00 127.61 2qgf h PRO 110 Ca -0.42 0.00 -0.59 0.00 0.11 0.00 0.00 66.00 65.10 2qgf h PRO 110 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2qgf h PRO 110 CO 0.84 0.34 1.50 -1.71 -0.21 0.00 0.00 178.00 178.76 2qgf n ASN 111 N -4.07 3.26 -0.08 -2.05 5.15 -1.26 -4.87 115.26 111.34 2qgf n ASN 111 Ca -0.02 0.20 0.04 0.00 -0.60 0.00 0.00 54.58 54.20 2qgf n ASN 111 Cb 0.38 -1.56 0.39 0.00 -0.53 0.00 0.00 39.78 38.46 2qgf n ASN 111 CO 0.00 0.00 0.00 0.77 1.40 0.00 0.00 177.26 179.43 2qgf h SER 112 N 15.11 0.57 -0.01 1.20 4.64 -2.04 -2.28 113.55 130.74 2qgf h SER 112 Ca -0.41 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 2qgf h SER 112 Cb 1.24 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 2qgf h SER 112 CO 0.96 0.40 0.00 -3.20 -0.87 0.00 0.00 176.83 174.12 2qgf n ASN 113 N -4.46 0.56 -4.74 4.97 5.15 -1.26 -4.87 115.26 110.60 2qgf n ASN 113 Ca 0.06 -1.21 -0.41 0.00 -0.60 0.00 0.00 54.58 52.42 2qgf n ASN 113 Cb 0.11 -0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.33 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 3.55 0.00 0.00 0.00 6.09 -1.90 -3.04 117.51 122.21 2qgf h ILE 115 Ca -0.46 -0.29 0.00 0.00 -1.37 0.00 0.00 64.86 62.75 2qgf h ILE 115 Cb 1.22 1.18 0.00 0.00 0.47 0.00 0.00 36.82 39.68 2qgf h ILE 115 CO 0.77 0.00 0.00 -1.54 -3.07 0.00 0.00 178.15 174.31 2qgf n SER 116 N -2.83 0.58 0.09 2.19 3.41 -1.26 -2.89 113.62 112.91 2qgf n SER 116 Ca -0.00 0.73 -0.08 0.00 -0.26 0.00 0.00 58.87 59.26 2qgf n SER 116 Cb 0.21 -0.82 -0.02 0.00 -0.26 0.00 0.00 64.21 63.32 2qgf n SER 116 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 2qgf h HIS 117 N 0.00 0.21 -0.24 7.33 3.86 -1.90 -3.35 115.15 121.06 2qgf h HIS 117 Ca 0.00 -0.12 0.00 0.00 -1.16 0.00 0.00 60.37 59.09 2qgf h HIS 117 Cb 0.11 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.56 2qgf h HIS 117 CO 0.00 0.96 0.00 0.00 0.86 0.00 0.00 177.93 179.75 2qgf n ALA 118 N -2.44 2.29 -2.54 2.45 0.00 -1.14 -5.05 120.51 114.08 2qgf n ALA 118 Ca -0.03 -0.96 -0.24 0.00 0.00 0.00 0.00 53.44 52.21 2qgf n ALA 118 Cb 0.83 -0.43 -0.09 0.00 0.00 0.00 0.00 19.45 19.76 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 -0.99 1.93 -0.92 0.00 0.41 -1.21 -5.02 118.70 112.90 2qgf s GLU 119 Ca 0.20 -1.70 -0.07 0.00 -0.41 0.00 0.00 54.97 52.99 2qgf s GLU 119 Cb 0.11 -1.89 -0.12 0.00 -1.78 0.00 0.00 34.13 30.45 2qgf s GLU 119 CO 0.16 0.28 2.74 -2.30 -0.49 0.00 0.00 175.26 175.64 2qgf n PRO 120 N -0.78 2.60 -4.40 0.39 -0.02 -1.26 -4.86 135.00 126.67 2qgf n PRO 120 Ca -0.05 -1.56 -0.20 0.00 -2.02 0.00 0.00 63.50 59.67 2qgf n PRO 120 Cb 0.61 -2.42 -0.14 0.00 -0.02 0.00 0.00 33.50 31.52 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 2.29 0.93 -0.14 -1.45 -7.23 -1.26 -5.12 120.40 108.42 2qgf s VAL 121 Ca 0.56 -0.71 -0.24 0.00 -1.81 0.00 0.00 61.98 59.78 2qgf s VAL 121 Cb 0.18 -0.82 -0.02 0.00 0.56 0.00 0.00 36.38 36.28 2qgf s VAL 121 CO -0.03 0.11 0.77 -0.94 -0.31 0.00 0.00 175.10 174.70 2qgf s SER 122 N -0.68 6.94 0.65 4.85 1.04 -1.26 -5.01 113.70 120.23 2qgf s SER 122 Ca 0.02 1.14 -0.18 0.00 0.48 0.00 0.00 55.95 57.41 2qgf s SER 122 Cb -0.06 -2.43 -0.01 0.00 0.10 0.00 0.00 66.02 63.62 2qgf s SER 122 CO 0.00 -0.30 1.29 -0.94 0.98 0.00 0.00 173.24 174.28 2qgf s SER 123 N 1.07 4.60 -0.17 7.02 1.04 -1.26 -4.70 113.70 121.29 2qgf s SER 123 Ca 0.37 2.62 -0.10 0.00 0.48 0.00 0.00 55.95 59.32 2qgf s SER 123 Cb -0.17 -2.62 0.06 0.00 0.10 0.00 0.00 66.02 63.39 2qgf s SER 123 CO 0.14 -2.01 0.41 -0.55 0.98 0.00 0.00 173.24 172.21 2qgf s SER 124 N -1.40 -0.51 0.00 7.02 0.15 -1.26 -0.01 113.70 117.70 2qgf s SER 124 Ca 0.83 0.89 0.05 0.00 0.70 0.00 0.00 55.95 58.41 2qgf s SER 124 Cb -0.37 0.78 -0.01 0.00 -1.71 0.00 0.00 66.02 64.70 2qgf s SER 124 CO 0.40 -0.19 -0.14 -0.36 1.20 0.00 0.00 173.24 174.15 2qgf s PHE 125 N 1.29 1.27 0.01 3.44 0.40 -0.37 -1.95 117.98 122.06 2qgf s PHE 125 Ca -0.09 -0.27 -0.20 0.00 -0.60 0.00 0.00 56.93 55.77 2qgf s PHE 125 Cb -0.08 -0.80 -0.06 0.00 0.51 0.00 0.00 43.02 42.60 2qgf s PHE 125 CO -0.11 -0.00 0.58 0.00 0.70 0.00 0.00 175.22 176.38 2qgf s ALA 126 N -0.48 3.52 -0.18 5.36 0.00 0.04 -1.07 121.76 128.93 2qgf s ALA 126 Ca 0.04 0.01 -0.06 0.00 0.00 0.00 0.00 51.96 51.95 2qgf s ALA 126 Cb -0.06 -2.70 -0.03 0.00 0.00 0.00 0.00 23.12 20.32 2qgf s ALA 126 CO 0.00 0.22 0.03 0.08 0.00 0.00 0.00 175.76 176.09 2qgf s VAL 127 N -0.38 4.43 -0.11 0.00 1.01 0.15 -0.72 120.40 124.79 2qgf s VAL 127 Ca 0.30 -0.16 -0.04 0.00 0.00 0.00 0.00 61.98 62.08 2qgf s VAL 127 Cb -0.18 -2.99 0.05 0.00 0.00 0.00 0.00 36.38 33.26 2qgf s VAL 127 CO 0.17 0.46 0.23 0.00 0.00 0.00 0.00 175.10 175.95 2qgf s ARG 128 N 0.50 0.13 0.07 2.72 1.70 -0.67 -4.72 118.95 118.69 2qgf s ARG 128 Ca 0.01 0.62 -0.23 0.00 -0.47 0.00 0.00 55.73 55.67 2qgf s ARG 128 Cb -0.13 -0.12 -0.06 0.00 -0.57 0.00 0.00 34.95 34.06 2qgf s ARG 128 CO 0.02 -0.25 0.69 0.21 -1.08 0.00 0.00 175.30 174.88 2qgf s LYS 129 N 2.01 4.41 -0.06 3.89 2.20 -1.26 0.06 119.74 130.99 2qgf s LYS 129 Ca -0.02 0.94 -0.02 0.00 -0.36 0.00 0.00 55.97 56.51 2qgf s LYS 129 Cb -0.12 -3.31 0.04 0.00 -1.51 0.00 0.00 37.83 32.94 2qgf s LYS 129 CO -0.08 0.45 0.12 -0.98 -0.36 0.00 0.00 175.35 174.51 2qgf s ARG 130 N -0.60 0.02 0.00 4.03 1.70 -0.45 -4.92 118.95 118.73 2qgf s ARG 130 Ca 0.34 0.41 0.00 0.00 -0.47 0.00 0.00 55.73 56.01 2qgf s ARG 130 Cb -0.20 -0.28 0.00 0.00 -0.57 0.00 0.00 34.95 33.90 2qgf s ARG 130 CO 0.22 -0.24 0.00 0.00 -1.08 0.00 0.00 175.30 174.19 2qgf n ALA 131 N 4.79 -0.39 0.00 7.88 0.00 -1.26 -0.97 120.51 130.57 2qgf n ALA 131 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2qgf n ALA 131 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 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 0.00 0.00 -0.98 0.00 4.13 -1.26 -4.93 115.26 112.22 2qgf n ASN 132 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 2qgf n ASN 132 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 2qgf n ASN 132 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 2qgf n ASP 133 N 0.64 0.00 -4.05 6.41 3.85 -0.14 -5.14 116.55 118.13 2qgf n ASP 133 Ca 0.00 -0.98 -0.27 0.00 -0.71 0.00 0.00 54.79 52.83 2qgf n ASP 133 Cb 0.00 0.00 -0.17 0.00 -1.35 0.00 0.00 41.12 39.60 2qgf n ASP 133 CO 0.00 0.00 0.00 -0.63 -1.01 0.00 0.00 177.20 175.56 2qgf s ILE 134 N -2.95 1.34 0.08 2.12 1.01 -1.26 -1.34 121.20 120.19 2qgf s ILE 134 Ca 0.00 -0.58 -0.11 0.00 0.00 0.00 0.00 60.65 59.96 2qgf s ILE 134 Cb 0.00 -1.22 -0.06 0.00 0.01 0.00 0.00 42.46 41.19 2qgf s ILE 134 CO 0.00 0.40 0.43 0.00 0.00 0.00 0.00 174.94 175.78 2qgf s ALA 135 N 0.79 3.69 -0.14 9.38 0.00 0.11 -0.59 121.76 134.99 2qgf s ALA 135 Ca -0.11 -0.30 0.01 0.00 0.00 0.00 0.00 51.96 51.55 2qgf s ALA 135 Cb -0.16 -2.34 0.02 0.00 0.00 0.00 0.00 23.12 20.64 2qgf s ALA 135 CO 0.02 0.53 -0.17 -0.51 0.00 0.00 0.00 175.76 175.63 2qgf s LEU 136 N -1.79 1.84 -0.22 0.00 1.43 0.62 -1.67 118.68 118.89 2qgf s LEU 136 Ca 0.32 -0.52 -0.06 0.00 -1.03 0.00 0.00 54.13 52.84 2qgf s LEU 136 Cb -0.15 -1.26 -0.02 0.00 0.03 0.00 0.00 46.19 44.79 2qgf s LEU 136 CO 0.17 -0.01 0.02 -0.75 0.23 0.00 0.00 176.35 176.02 2qgf s LYS 137 N 1.24 3.59 0.13 1.70 2.20 0.11 -0.79 119.74 127.93 2qgf s LYS 137 Ca 0.01 -0.52 -0.31 0.00 -0.36 0.00 0.00 55.97 54.79 2qgf s LYS 137 Cb -0.14 -3.17 -0.08 0.00 -1.51 0.00 0.00 37.83 32.93 2qgf s LYS 137 CO -0.08 -0.11 1.42 0.00 -0.36 0.00 0.00 175.35 176.22 2qgf h LYS 139 N 6.63 0.41 0.00 0.00 3.64 -1.75 -0.57 116.57 124.93 2qgf h LYS 139 Ca -0.43 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 2qgf h LYS 139 Cb 1.21 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 2qgf h LYS 139 CO 0.86 0.27 -0.12 1.88 -2.27 0.00 0.00 179.45 180.07 2qgf h TYR 140 N 0.42 0.00 0.00 1.91 0.05 -1.90 -3.39 116.97 114.06 2qgf h TYR 140 Ca 0.12 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.90 2qgf h TYR 140 Cb -0.01 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.73 2qgf h TYR 140 CO -0.00 0.00 0.00 0.00 -1.05 0.00 0.00 178.16 177.11 2qgf n GLU 142 N -1.48 -1.75 -2.90 0.00 1.02 -0.22 -4.97 120.64 110.34 2qgf n GLU 142 Ca 0.07 0.77 -0.40 0.00 -0.02 0.00 0.00 57.16 57.59 2qgf n GLU 142 Cb 0.30 -5.20 -0.06 0.00 -0.02 0.00 0.00 31.44 26.46 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 -2.65 4.63 -0.20 3.49 -0.14 -1.26 -4.72 119.74 118.89 2qgf s LYS 143 Ca 0.00 1.24 -0.09 0.00 -1.36 0.00 0.00 55.97 55.76 2qgf s LYS 143 Cb 0.00 -3.30 -0.05 0.00 -1.68 0.00 0.00 37.83 32.80 2qgf s LYS 143 CO 0.00 0.45 0.12 -2.00 -0.76 0.00 0.00 175.35 173.15 2qgf s GLU 144 N -0.74 4.14 0.21 1.68 2.12 -1.26 -2.03 118.70 122.83 2qgf s GLU 144 Ca 0.39 -0.25 0.09 0.00 0.36 0.00 0.00 54.97 55.56 2qgf s GLU 144 Cb -0.23 -3.38 -0.05 0.00 0.26 0.00 0.00 34.13 30.74 2qgf s GLU 144 CO 0.27 0.30 -0.16 -0.06 -0.54 0.00 0.00 175.26 175.06 2qgf s PHE 145 N 0.36 1.86 0.23 5.30 0.40 0.03 -4.95 117.98 121.21 2qgf s PHE 145 Ca 0.07 -0.50 -0.29 0.00 -0.60 0.00 0.00 56.93 55.61 2qgf s PHE 145 Cb -0.11 -0.86 -0.09 0.00 0.51 0.00 0.00 43.02 42.47 2qgf s PHE 145 CO -0.02 0.43 0.91 0.45 0.70 0.00 0.00 175.22 177.70 2qgf s SER 146 N -3.24 7.57 0.27 1.36 0.15 -1.26 -0.28 113.70 118.27 2qgf s SER 146 Ca 0.23 1.88 0.00 0.00 0.70 0.00 0.00 55.95 58.76 2qgf s SER 146 Cb -0.03 -2.59 0.58 0.00 -1.71 0.00 0.00 66.02 62.28 2qgf s SER 146 CO 0.09 0.15 1.75 1.12 1.20 0.00 0.00 173.24 177.55 2qgf h HIS 147 N 4.09 0.77 -1.16 3.44 2.07 -1.19 0.16 115.15 123.32 2qgf h HIS 147 Ca -0.46 0.04 0.33 0.00 -2.85 0.00 0.00 60.37 57.43 2qgf h HIS 147 Cb 1.20 -0.21 -0.07 0.00 2.57 0.00 0.00 27.41 30.90 2qgf h HIS 147 CO 0.62 0.15 0.80 -0.91 -3.07 0.00 0.00 177.93 175.51 2qgf h ASN 148 N 0.60 0.17 0.40 3.10 2.35 -1.92 0.27 115.58 120.55 2qgf h ASN 148 Ca 0.49 0.04 -0.31 0.00 -0.55 0.00 0.00 56.30 55.96 2qgf h ASN 148 Cb 0.74 0.01 -0.02 0.00 0.05 0.00 0.00 38.32 39.10 2qgf h ASN 148 CO -0.39 0.02 -1.69 0.58 -1.65 0.00 0.00 177.43 174.29 2qgf h VAL 149 N 0.14 0.93 -0.18 2.81 2.07 -1.08 -3.35 116.25 117.59 2qgf h VAL 149 Ca 0.60 -2.67 -0.10 0.00 0.82 0.00 0.00 66.70 65.35 2qgf h VAL 149 Cb 2.06 2.59 -0.01 0.00 -1.52 0.00 0.00 31.29 34.40 2qgf h VAL 149 CO -0.14 0.74 -0.33 0.58 0.02 0.00 0.00 177.57 178.44 2qgf h VAL 150 N 0.05 1.28 -0.83 2.57 2.07 -0.08 -3.00 116.25 118.30 2qgf h VAL 150 Ca -0.30 -1.38 -0.45 0.00 0.82 0.00 0.00 66.70 65.40 2qgf h VAL 150 Cb 2.01 1.51 -0.17 0.00 -1.52 0.00 0.00 31.29 33.12 2qgf h VAL 150 CO 0.11 0.42 0.46 0.18 0.02 0.00 0.00 177.57 178.77 2qgf n LEU 151 N -4.08 6.61 0.00 2.57 4.77 0.26 -4.65 117.00 122.47 2qgf n LEU 151 Ca -0.01 -3.78 -0.14 0.00 -0.03 0.00 0.00 56.01 52.05 2qgf n LEU 151 Cb 0.44 -1.13 0.10 0.00 -2.33 0.00 0.00 43.42 40.50 2qgf n LEU 151 CO 0.42 1.49 0.38 0.00 -1.33 0.00 0.00 177.39 178.35 2qgf n ALA 152 N 0.45 -0.96 -0.87 -1.18 0.00 -1.14 -4.96 120.51 111.86 2qgf n ALA 152 Ca 0.42 -0.81 0.00 0.00 0.00 0.00 0.00 53.44 53.06 2qgf n ALA 152 Cb 0.56 -0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.97 2qgf n ALA 152 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77