#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qdk s LYS 3 N 0.00 4.21 0.48 1.43 2.36 -1.26 -4.95 119.74 122.01 2qdk s LYS 3 Ca 0.00 2.32 -0.24 0.00 -2.55 0.00 0.00 55.97 55.50 2qdk s LYS 3 Cb 0.00 -3.49 -0.07 0.00 -1.05 0.00 0.00 37.83 33.22 2qdk s LYS 3 CO 0.00 -0.69 1.38 0.45 1.55 0.00 0.00 175.35 178.04 2qdk s SER 4 N 2.06 5.72 0.18 1.43 0.15 -1.26 -4.84 113.70 117.14 2qdk s SER 4 Ca 0.72 2.81 0.26 0.00 0.70 0.00 0.00 55.95 60.44 2qdk s SER 4 Cb -0.40 -2.64 0.71 0.00 -1.71 0.00 0.00 66.02 61.97 2qdk s SER 4 CO 0.32 -1.27 1.67 0.47 1.20 0.00 0.00 173.24 175.63 2qdk n ASP 5 N -0.46 0.77 -4.33 5.45 10.43 0.41 -4.90 116.55 123.92 2qdk n ASP 5 Ca 0.07 0.47 -0.17 0.00 2.57 0.00 0.00 54.79 57.72 2qdk n ASP 5 Cb 0.43 -0.57 -0.10 0.00 1.84 0.00 0.00 41.12 42.72 2qdk n ASP 5 CO 0.00 0.00 0.00 0.68 -1.07 0.00 0.00 177.20 176.81 2qdk s VAL 6 N -3.11 1.18 0.14 2.53 -7.23 -1.25 -5.06 120.40 107.60 2qdk s VAL 6 Ca 0.10 -2.06 -0.06 0.00 -1.81 0.00 0.00 61.98 58.15 2qdk s VAL 6 Cb 0.13 -2.26 -0.13 0.00 0.56 0.00 0.00 36.38 34.67 2qdk s VAL 6 CO 0.62 -0.40 1.37 -0.26 -0.31 0.00 0.00 175.10 176.12 2qdk h PHE 7 N 2.50 0.76 0.00 2.82 0.05 -1.96 -3.39 116.94 117.72 2qdk h PHE 7 Ca -0.38 -0.34 -0.19 0.00 3.82 0.00 0.00 57.97 60.88 2qdk h PHE 7 Cb 1.22 -0.11 -0.03 0.00 2.00 0.00 0.00 35.95 39.02 2qdk h PHE 7 CO 0.61 1.13 -1.72 0.72 -0.18 0.00 0.00 178.31 178.88 2qdk n HIS 8 N -3.87 0.00 0.21 -0.55 8.25 -1.26 -4.74 115.22 113.26 2qdk n HIS 8 Ca -0.06 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.50 2qdk n HIS 8 Cb 0.74 -0.50 0.18 0.00 1.12 0.00 0.00 29.99 31.53 2qdk n HIS 8 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2qdk h LEU 9 N 0.00 0.00 -0.31 2.41 3.38 -1.93 -3.44 115.31 115.41 2qdk h LEU 9 Ca -0.28 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.44 2qdk h LEU 9 Cb 1.52 0.00 0.06 0.00 0.09 0.00 0.00 40.66 42.33 2qdk h LEU 9 CO -0.02 0.11 -0.39 0.61 0.09 0.00 0.00 178.44 178.84 2qdk n GLY 10 N 1.03 0.00 3.38 0.83 0.00 -1.26 -4.72 105.19 104.45 2qdk n GLY 10 Ca 0.03 -0.16 -0.21 0.00 0.00 0.00 0.00 46.02 45.67 2qdk n GLY 10 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qdk s LEU 11 N -4.56 2.53 0.31 0.99 1.43 -1.26 -4.85 118.68 113.26 2qdk s LEU 11 Ca 0.28 -0.98 0.11 0.00 -1.03 0.00 0.00 54.13 52.51 2qdk s LEU 11 Cb -0.12 -0.86 -0.06 0.00 0.03 0.00 0.00 46.19 45.18 2qdk s LEU 11 CO 0.34 -0.06 -0.13 0.42 0.23 0.00 0.00 176.35 177.15 2qdk s THR 12 N -2.56 2.45 0.39 5.49 -4.23 -1.26 -0.44 115.64 115.49 2qdk s THR 12 Ca 0.23 -2.26 0.06 0.00 -1.18 0.00 0.00 61.69 58.54 2qdk s THR 12 Cb -0.03 -2.51 0.27 0.00 1.34 0.00 0.00 72.50 71.56 2qdk s THR 12 CO 0.09 -0.30 2.04 0.11 -0.54 0.00 0.00 174.62 176.02 2qdk h LYS 13 N 2.11 0.62 -0.99 3.99 1.57 -1.97 -1.54 116.57 120.35 2qdk h LYS 13 Ca -0.41 -0.04 0.09 0.00 -1.87 0.00 0.00 60.65 58.42 2qdk h LYS 13 Cb 1.25 -0.14 -0.07 0.00 0.08 0.00 0.00 32.23 33.35 2qdk h LYS 13 CO 0.65 0.41 0.64 -0.97 -0.57 0.00 0.00 179.45 179.60 2qdk h ASN 14 N 0.64 0.98 -0.40 0.86 -1.24 -1.96 -2.04 115.58 112.42 2qdk h ASN 14 Ca 0.19 0.02 0.10 0.00 0.71 0.00 0.00 56.30 57.32 2qdk h ASN 14 Cb -0.03 -0.18 -0.02 0.00 0.73 0.00 0.00 38.32 38.83 2qdk h ASN 14 CO -0.04 0.58 0.28 0.44 -1.29 0.00 0.00 177.43 177.40 2qdk h ASP 15 N 1.08 0.09 1.63 1.15 3.45 -1.68 -1.96 116.42 120.18 2qdk h ASP 15 Ca 0.46 0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.89 2qdk h ASP 15 Cb 0.31 -0.02 -0.00 0.00 -0.56 0.00 0.00 39.33 39.06 2qdk h ASP 15 CO -0.21 0.05 -0.11 -0.07 -1.57 0.00 0.00 179.24 177.34 2qdk h LEU 16 N 0.10 0.00 -1.05 1.55 4.07 -1.43 -3.47 115.31 115.07 2qdk h LEU 16 Ca 0.19 0.00 -0.50 0.00 0.08 0.00 0.00 57.88 57.64 2qdk h LEU 16 Cb 0.61 0.00 -0.09 0.00 1.08 0.00 0.00 40.66 42.26 2qdk h LEU 16 CO -0.02 0.11 -0.79 0.00 -1.08 0.00 0.00 178.44 176.66 2qdk n GLN 17 N -3.15 -4.69 -0.60 1.13 1.13 -0.74 -1.52 117.38 108.94 2qdk n GLN 17 Ca 0.03 0.52 0.00 0.00 -1.94 0.00 0.00 57.00 55.61 2qdk n GLN 17 Cb 0.52 -5.34 0.00 0.00 0.11 0.00 0.00 30.24 25.53 2qdk n GLN 17 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2qdk n GLY 18 N -1.60 0.79 3.72 1.08 0.00 -1.26 -4.67 105.19 103.24 2qdk n GLY 18 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 2qdk n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qdk n ALA 19 N -0.20 1.65 -0.24 4.61 0.00 -0.58 -4.91 120.51 120.84 2qdk n ALA 19 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.81 2qdk n ALA 19 Cb 0.00 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.13 2qdk n ALA 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2qdk n GLN 20 N 0.92 -0.14 -4.59 0.00 6.02 -1.26 -4.32 117.38 114.01 2qdk n GLN 20 Ca 0.05 -0.56 -0.22 0.00 -0.01 0.00 0.00 57.00 56.26 2qdk n GLN 20 Cb 0.36 -0.88 -0.15 0.00 1.02 0.00 0.00 30.24 30.59 2qdk n GLN 20 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 2qdk s LEU 21 N -0.16 2.06 -0.01 1.08 0.20 -1.26 -0.56 118.68 120.02 2qdk s LEU 21 Ca 0.00 -0.29 0.04 0.00 0.69 0.00 0.00 54.13 54.56 2qdk s LEU 21 Cb 0.00 -0.70 -0.01 0.00 -0.43 0.00 0.00 46.19 45.05 2qdk s LEU 21 CO 0.00 0.15 -0.13 0.00 -0.29 0.00 0.00 176.35 176.08 2qdk s ALA 22 N -0.43 1.06 -0.22 5.97 0.00 -0.12 -1.92 121.76 126.12 2qdk s ALA 22 Ca 0.05 -0.53 -0.11 0.00 0.00 0.00 0.00 51.96 51.37 2qdk s ALA 22 Cb -0.06 -0.30 -0.05 0.00 0.00 0.00 0.00 23.12 22.72 2qdk s ALA 22 CO -0.00 0.24 0.20 0.42 0.00 0.00 0.00 175.76 176.62 2qdk s ILE 23 N -0.20 5.35 -0.48 0.00 1.01 0.18 -0.97 121.20 126.10 2qdk s ILE 23 Ca 0.03 0.29 0.03 0.00 0.00 0.00 0.00 60.65 61.01 2qdk s ILE 23 Cb -0.06 -3.54 0.13 0.00 0.01 0.00 0.00 42.46 39.00 2qdk s ILE 23 CO -0.00 0.36 0.23 0.68 0.00 0.00 0.00 174.94 176.21 2qdk s VAL 24 N 0.85 2.26 0.70 2.92 -7.23 0.26 -1.50 120.40 118.65 2qdk s VAL 24 Ca 0.10 -3.00 -0.11 0.00 -1.81 0.00 0.00 61.98 57.16 2qdk s VAL 24 Cb -0.13 -2.59 0.01 0.00 0.56 0.00 0.00 36.38 34.23 2qdk s VAL 24 CO 0.03 -0.79 1.07 -2.16 -0.31 0.00 0.00 175.10 172.94 2qdk s PRO 25 N 0.03 2.93 0.03 4.82 0.04 -1.23 -2.97 135.00 138.65 2qdk s PRO 25 Ca 0.16 0.69 -0.17 0.00 0.04 0.00 0.00 61.00 61.72 2qdk s PRO 25 Cb -0.25 -2.01 -0.25 0.00 0.04 0.00 0.00 34.50 32.04 2qdk s PRO 25 CO -0.01 -1.03 1.12 0.78 0.04 0.00 0.00 177.00 177.89 2qdk h GLY 26 N -0.66 0.60 -5.70 0.56 0.00 -1.85 -0.81 103.07 95.22 2qdk h GLY 26 Ca -0.45 -1.10 -0.58 0.00 0.00 0.00 0.00 47.33 45.20 2qdk h GLY 26 CO 0.61 0.97 0.14 -0.35 0.00 0.00 0.00 176.54 177.91 2qdk s ASP 27 N -7.05 6.78 0.42 0.19 3.68 -1.26 -1.36 116.67 118.07 2qdk s ASP 27 Ca -0.12 0.95 0.13 0.00 2.13 0.00 0.00 52.55 55.64 2qdk s ASP 27 Cb 0.05 -2.37 0.99 0.00 -1.45 0.00 0.00 42.92 40.14 2qdk s ASP 27 CO 0.87 -0.25 1.97 -0.65 0.13 0.00 0.00 175.17 177.24 2qdk h PRO 28 N 7.28 0.44 0.00 4.34 0.11 -1.88 -1.66 132.00 140.63 2qdk h PRO 28 Ca -0.33 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.75 2qdk h PRO 28 Cb 1.15 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2qdk h PRO 28 CO 0.78 0.29 0.00 0.39 -0.21 0.00 0.00 178.00 179.25 2qdk n GLU 29 N -4.47 0.05 0.10 1.05 1.02 -1.26 -2.27 120.64 114.85 2qdk n GLU 29 Ca 0.11 0.19 0.12 0.00 -0.02 0.00 0.00 57.16 57.55 2qdk n GLU 29 Cb 0.38 -1.58 0.12 0.00 -0.02 0.00 0.00 31.44 30.34 2qdk n GLU 29 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2qdk h ARG 30 N 0.00 0.00 0.30 3.49 2.47 -1.71 -3.40 114.38 115.52 2qdk h ARG 30 Ca 0.00 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.71 2qdk h ARG 30 Cb 0.39 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.71 2qdk h ARG 30 CO 0.00 0.00 -0.14 0.28 0.56 0.00 0.00 179.97 180.67 2qdk h VAL 31 N 0.00 0.72 -0.84 2.04 2.07 -1.54 -1.89 116.25 116.80 2qdk h VAL 31 Ca 0.00 -0.07 0.06 0.00 0.82 0.00 0.00 66.70 67.51 2qdk h VAL 31 Cb 0.87 0.76 -0.06 0.00 -1.52 0.00 0.00 31.29 31.34 2qdk h VAL 31 CO 0.00 0.02 0.52 -0.08 0.02 0.00 0.00 177.57 178.04 2qdk h GLU 32 N -0.43 0.91 -0.74 1.57 4.81 -1.77 -1.64 114.58 117.28 2qdk h GLU 32 Ca -0.04 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.10 2qdk h GLU 32 Cb 0.33 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 2qdk h GLU 32 CO 0.07 0.60 0.33 0.87 -0.73 0.00 0.00 179.01 180.15 2qdk h LYS 33 N 0.94 1.08 -0.08 1.92 1.57 -1.70 -0.55 116.57 119.75 2qdk h LYS 33 Ca 0.37 -0.17 -0.25 0.00 -1.87 0.00 0.00 60.65 58.74 2qdk h LYS 33 Cb 0.18 -0.19 0.02 0.00 0.08 0.00 0.00 32.23 32.32 2qdk h LYS 33 CO -0.18 0.85 -0.91 0.82 -0.57 0.00 0.00 179.45 179.46 2qdk h ILE 34 N 1.06 1.27 -0.04 1.86 2.04 -0.89 -3.14 117.51 119.67 2qdk h ILE 34 Ca 0.25 -2.11 -0.06 0.00 1.00 0.00 0.00 64.86 63.95 2qdk h ILE 34 Cb 0.15 2.18 -0.01 0.00 -0.74 0.00 0.00 36.82 38.40 2qdk h ILE 34 CO -0.03 0.66 -0.26 0.00 0.00 0.00 0.00 178.15 178.52 2qdk h ALA 35 N 0.48 1.48 0.00 1.87 0.00 -1.13 -2.61 119.26 119.35 2qdk h ALA 35 Ca -0.09 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 2qdk h ALA 35 Cb 1.56 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.29 2qdk h ALA 35 CO 0.18 0.38 -0.01 0.00 0.00 0.00 0.00 179.25 179.81 2qdk h ALA 36 N 1.67 1.20 -0.00 0.00 0.00 -1.05 -0.75 119.26 120.33 2qdk h ALA 36 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2qdk h ALA 36 Cb 0.51 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2qdk h ALA 36 CO 0.04 0.01 -0.03 1.28 0.00 0.00 0.00 179.25 180.55 2qdk n LEU 37 N -3.38 0.11 -4.80 0.00 4.77 -0.98 -4.86 117.00 107.86 2qdk n LEU 37 Ca -0.03 0.19 -0.28 0.00 -0.03 0.00 0.00 56.01 55.87 2qdk n LEU 37 Cb 0.09 -0.23 -0.05 0.00 -2.33 0.00 0.00 43.42 40.90 2qdk n LEU 37 CO 0.23 0.02 -0.12 -0.04 -1.33 0.00 0.00 177.39 176.15 2qdk s MET 38 N -2.49 2.22 0.43 3.23 -1.94 -0.29 -5.13 119.30 115.34 2qdk s MET 38 Ca 0.31 -2.08 -0.22 0.00 -1.71 0.00 0.00 55.69 51.99 2qdk s MET 38 Cb 0.20 -1.88 -0.10 0.00 2.01 0.00 0.00 34.83 35.07 2qdk s MET 38 CO 0.45 -0.36 0.99 -0.51 -0.01 0.00 0.00 175.02 175.59 2qdk s ASP 39 N -4.02 6.79 -1.32 3.03 -0.00 -0.57 -4.39 116.67 116.18 2qdk s ASP 39 Ca 0.28 1.82 -0.16 0.00 -0.00 0.00 0.00 52.55 54.49 2qdk s ASP 39 Cb 0.01 -2.56 0.01 0.00 -0.00 0.00 0.00 42.92 40.39 2qdk s ASP 39 CO 0.16 -0.47 0.48 0.29 -0.00 0.00 0.00 175.17 175.64 2qdk n LYS 40 N -0.54 -1.33 -2.46 8.23 5.02 -1.26 0.47 118.16 126.29 2qdk n LYS 40 Ca 0.07 0.23 -0.41 0.00 -2.02 0.00 0.00 58.31 56.18 2qdk n LYS 40 Cb 0.53 -3.58 -0.04 0.00 -0.02 0.00 0.00 35.03 31.93 2qdk n LYS 40 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2qdk s PRO 41 N -6.92 4.52 -0.02 1.97 0.04 -1.26 -4.30 135.00 129.02 2qdk s PRO 41 Ca 0.26 1.76 0.01 0.00 0.04 0.00 0.00 61.00 63.06 2qdk s PRO 41 Cb -0.12 -3.29 0.02 0.00 0.04 0.00 0.00 34.50 31.14 2qdk s PRO 41 CO 0.94 -0.07 -0.01 0.08 0.04 0.00 0.00 177.00 177.98 2qdk s VAL 42 N 0.23 0.19 0.15 -0.36 1.01 0.86 -4.99 120.40 117.49 2qdk s VAL 42 Ca 0.53 0.05 -0.30 0.00 0.00 0.00 0.00 61.98 62.25 2qdk s VAL 42 Cb -0.30 -0.26 -0.08 0.00 0.00 0.00 0.00 36.38 35.74 2qdk s VAL 42 CO 0.33 0.13 1.23 -0.75 0.00 0.00 0.00 175.10 176.05 2qdk s LYS 43 N 0.82 4.45 -0.22 2.72 2.20 -1.26 -0.39 119.74 128.05 2qdk s LYS 43 Ca -0.08 1.90 -0.13 0.00 -0.36 0.00 0.00 55.97 57.29 2qdk s LYS 43 Cb -0.12 -3.26 -0.09 0.00 -1.51 0.00 0.00 37.83 32.86 2qdk s LYS 43 CO -0.01 -0.19 -0.31 1.28 -0.36 0.00 0.00 175.35 175.76 2qdk n LEU 44 N 3.01 1.75 -3.60 5.43 4.77 0.13 -4.88 117.00 123.61 2qdk n LEU 44 Ca 0.06 0.30 -0.07 0.00 -0.03 0.00 0.00 56.01 56.27 2qdk n LEU 44 Cb 0.45 -0.71 -0.02 0.00 -2.33 0.00 0.00 43.42 40.81 2qdk n LEU 44 CO 0.56 0.27 0.65 0.00 -1.33 0.00 0.00 177.39 177.55 2qdk s ALA 45 N -2.54 -1.70 -0.24 -1.18 0.00 -1.02 -4.99 121.76 110.07 2qdk s ALA 45 Ca -0.32 0.57 -0.02 0.00 0.00 0.00 0.00 51.96 52.18 2qdk s ALA 45 Cb 0.10 0.57 0.13 0.00 0.00 0.00 0.00 23.12 23.92 2qdk s ALA 45 CO 0.41 -0.84 0.34 0.45 0.00 0.00 0.00 175.76 176.12 2qdk s SER 46 N -2.70 0.64 -0.03 0.00 0.15 -1.26 -0.82 113.70 109.68 2qdk s SER 46 Ca 0.07 -0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.72 2qdk s SER 46 Cb -0.01 0.89 0.03 0.00 -1.71 0.00 0.00 66.02 65.21 2qdk s SER 46 CO -0.05 -0.32 0.00 -1.00 1.20 0.00 0.00 173.24 173.08 2qdk s HIS 47 N 2.48 0.29 0.00 3.44 3.76 -0.50 -4.99 115.29 119.76 2qdk s HIS 47 Ca 0.11 0.01 0.00 0.00 -0.15 0.00 0.00 55.06 55.02 2qdk s HIS 47 Cb -0.15 -0.39 0.00 0.00 1.11 0.00 0.00 32.58 33.15 2qdk s HIS 47 CO -0.18 -0.12 0.00 0.54 -0.85 0.00 0.00 174.74 174.13 2qdk n ARG 48 N 4.09 0.00 -0.21 1.40 1.74 -1.26 -0.27 116.66 122.15 2qdk n ARG 48 Ca -0.27 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 56.85 2qdk n ARG 48 Cb 0.51 0.00 0.13 0.00 -1.02 0.00 0.00 32.46 32.08 2qdk n ARG 48 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 2qdk n GLU 49 N 14.00 1.91 -3.59 5.56 0.00 -1.26 -4.75 120.64 132.51 2qdk n GLU 49 Ca 0.00 -1.04 -0.40 0.00 0.00 0.00 0.00 57.16 55.72 2qdk n GLU 49 Cb 0.00 -1.41 -0.09 0.00 0.00 0.00 0.00 31.44 29.94 2qdk n GLU 49 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 2qdk s PHE 50 N -1.64 3.47 -0.19 -1.84 0.40 0.62 -3.94 117.98 114.86 2qdk s PHE 50 Ca 0.19 -2.05 -0.08 0.00 -0.60 0.00 0.00 56.93 54.39 2qdk s PHE 50 Cb 0.11 -3.45 -0.04 0.00 0.51 0.00 0.00 43.02 40.16 2qdk s PHE 50 CO 0.10 -0.98 0.07 0.99 0.70 0.00 0.00 175.22 176.10 2qdk s THR 51 N 1.12 4.80 -0.02 0.64 2.01 -1.26 -1.42 115.64 121.52 2qdk s THR 51 Ca 0.08 -0.03 0.06 0.00 0.31 0.00 0.00 61.69 62.11 2qdk s THR 51 Cb -0.24 -3.18 -0.01 0.00 0.01 0.00 0.00 72.50 69.08 2qdk s THR 51 CO -0.02 0.44 -0.20 -0.94 -0.69 0.00 0.00 174.62 173.21 2qdk s SER 52 N 0.53 2.34 0.12 3.53 1.04 -0.00 -1.70 113.70 119.56 2qdk s SER 52 Ca 0.04 -0.36 0.07 0.00 0.48 0.00 0.00 55.95 56.17 2qdk s SER 52 Cb -0.13 -0.31 -0.04 0.00 0.10 0.00 0.00 66.02 65.65 2qdk s SER 52 CO 0.01 0.24 -0.17 0.26 0.98 0.00 0.00 173.24 174.55 2qdk s TRP 53 N -0.41 1.62 0.10 5.02 0.52 0.46 -0.69 118.94 125.55 2qdk s TRP 53 Ca 0.06 -0.48 0.05 0.00 0.02 0.00 0.00 56.10 55.76 2qdk s TRP 53 Cb -0.08 -0.85 -0.04 0.00 -1.15 0.00 0.00 33.47 31.35 2qdk s TRP 53 CO -0.00 0.21 -0.01 0.50 0.02 0.00 0.00 176.95 177.67 2qdk s ARG 54 N -2.38 2.50 0.10 4.98 3.52 0.47 -0.56 118.95 127.58 2qdk s ARG 54 Ca 0.09 -0.88 -0.01 0.00 -0.13 0.00 0.00 55.73 54.79 2qdk s ARG 54 Cb -0.07 -2.50 0.01 0.00 -1.56 0.00 0.00 34.95 30.82 2qdk s ARG 54 CO 0.04 0.53 0.16 0.00 -0.81 0.00 0.00 175.30 175.22 2qdk n ALA 55 N 0.50 -0.20 -2.63 6.12 0.00 -0.31 -0.10 120.51 123.89 2qdk n ALA 55 Ca -0.11 -0.42 -0.20 0.00 0.00 0.00 0.00 53.44 52.71 2qdk n ALA 55 Cb 0.52 0.34 -0.15 0.00 0.00 0.00 0.00 19.45 20.17 2qdk n ALA 55 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2qdk s GLU 56 N -2.17 0.92 -0.15 0.00 2.12 0.18 -0.88 118.70 118.72 2qdk s GLU 56 Ca 0.07 -0.46 -0.01 0.00 0.36 0.00 0.00 54.97 54.93 2qdk s GLU 56 Cb -0.01 -0.89 0.04 0.00 0.26 0.00 0.00 34.13 33.53 2qdk s GLU 56 CO 0.05 0.24 -0.03 -0.51 -0.54 0.00 0.00 175.26 174.47 2qdk s LEU 57 N -0.40 1.34 -1.57 2.70 1.43 0.12 -1.51 118.68 120.79 2qdk s LEU 57 Ca 0.04 -0.56 -0.14 0.00 -1.03 0.00 0.00 54.13 52.44 2qdk s LEU 57 Cb -0.05 -0.78 0.10 0.00 0.03 0.00 0.00 46.19 45.49 2qdk s LEU 57 CO -0.00 -0.20 0.88 0.47 0.23 0.00 0.00 176.35 177.73 2qdk n ASP 58 N 4.95 -3.91 0.00 2.29 10.43 -1.26 -0.73 116.55 128.32 2qdk n ASP 58 Ca -0.11 -0.87 0.00 0.00 2.57 0.00 0.00 54.79 56.39 2qdk n ASP 58 Cb 0.48 -3.50 0.00 0.00 1.84 0.00 0.00 41.12 39.94 2qdk n ASP 58 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2qdk n GLY 59 N -1.61 1.07 3.70 0.44 0.00 -1.26 -5.02 105.19 102.51 2qdk n GLY 59 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 2qdk n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qdk s LYS 60 N -0.01 3.44 0.36 1.61 -0.14 0.09 -5.08 119.74 120.01 2qdk s LYS 60 Ca 0.00 -0.33 -0.27 0.00 -1.36 0.00 0.00 55.97 54.01 2qdk s LYS 60 Cb 0.00 -3.02 -0.09 0.00 -1.68 0.00 0.00 37.83 33.04 2qdk s LYS 60 CO 0.00 0.56 1.21 0.00 -0.76 0.00 0.00 175.35 176.37 2qdk s ALA 61 N -0.46 3.32 0.01 5.17 0.00 -1.26 0.14 121.76 128.69 2qdk s ALA 61 Ca 0.09 1.08 0.01 0.00 0.00 0.00 0.00 51.96 53.14 2qdk s ALA 61 Cb -0.12 -3.41 -0.01 0.00 0.00 0.00 0.00 23.12 19.58 2qdk s ALA 61 CO 0.02 -0.53 -0.03 0.14 0.00 0.00 0.00 175.76 175.36 2qdk s VAL 62 N -1.26 0.21 -0.09 0.00 -7.23 -0.06 -4.32 120.40 107.65 2qdk s VAL 62 Ca 0.52 -0.55 -0.05 0.00 -1.81 0.00 0.00 61.98 60.09 2qdk s VAL 62 Cb -0.35 -0.27 -0.04 0.00 0.56 0.00 0.00 36.38 36.29 2qdk s VAL 62 CO 0.45 -0.22 0.11 -0.63 -0.31 0.00 0.00 175.10 174.49 2qdk s ILE 63 N -0.77 5.14 -0.17 -0.62 -1.09 -0.81 -1.16 121.20 121.72 2qdk s ILE 63 Ca -0.07 0.00 0.01 0.00 -2.23 0.00 0.00 60.65 58.36 2qdk s ILE 63 Cb -0.06 -3.25 0.01 0.00 -1.58 0.00 0.00 42.46 37.58 2qdk s ILE 63 CO -0.00 0.56 -0.17 -0.69 -1.23 0.00 0.00 174.94 173.40 2qdk s VAL 64 N -1.04 2.36 -0.05 2.92 1.01 0.27 -0.64 120.40 125.23 2qdk s VAL 64 Ca 0.17 -0.86 -0.03 0.00 0.00 0.00 0.00 61.98 61.27 2qdk s VAL 64 Cb -0.12 -1.99 0.02 0.00 0.00 0.00 0.00 36.38 34.29 2qdk s VAL 64 CO 0.06 0.52 0.10 0.00 0.00 0.00 0.00 175.10 175.79 2qdk s SER 66 N 0.69 6.60 -0.02 0.00 1.04 -0.69 -3.53 113.70 117.80 2qdk s SER 66 Ca -0.05 1.39 0.15 0.00 0.48 0.00 0.00 55.95 57.91 2qdk s SER 66 Cb -0.07 -2.43 -0.22 0.00 0.10 0.00 0.00 66.02 63.40 2qdk s SER 66 CO -0.03 -0.49 0.34 0.35 0.98 0.00 0.00 173.24 174.40 2qdk n THR 67 N -1.37 0.00 -0.15 2.02 -2.24 -0.31 -4.54 114.28 107.69 2qdk n THR 67 Ca 0.05 -0.32 0.02 0.00 -2.27 0.00 0.00 64.05 61.53 2qdk n THR 67 Cb 0.54 0.24 -0.01 0.00 -2.10 0.00 0.00 70.33 69.00 2qdk n THR 67 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qdk n GLY 68 N 1.64 -1.58 3.75 3.38 0.00 -0.47 -3.41 105.19 108.50 2qdk n GLY 68 Ca -0.02 -1.48 -0.39 0.00 0.00 0.00 0.00 46.02 44.12 2qdk n GLY 68 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qdk s ILE 69 N -1.49 4.85 0.00 -0.61 1.01 -1.26 -4.71 121.20 118.99 2qdk s ILE 69 Ca 0.00 1.42 0.00 0.00 0.00 0.00 0.00 60.65 62.07 2qdk s ILE 69 Cb 0.00 -4.02 0.00 0.00 0.01 0.00 0.00 42.46 38.45 2qdk s ILE 69 CO 0.00 0.38 0.00 0.61 0.00 0.00 0.00 174.94 175.93 2qdk n GLY 70 N 2.50 2.36 0.24 6.18 0.00 -1.25 -4.62 105.19 110.60 2qdk n GLY 70 Ca -0.04 -1.77 0.02 0.00 0.00 0.00 0.00 46.02 44.22 2qdk n GLY 70 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2qdk h GLY 71 N 0.00 0.75 0.93 -0.02 0.00 -1.86 -2.32 103.07 100.55 2qdk h GLY 71 Ca 0.00 0.05 -0.01 0.00 0.00 0.00 0.00 47.33 47.37 2qdk h GLY 71 CO 0.00 -0.20 -0.14 -2.55 0.00 0.00 0.00 176.54 173.65 2qdk h PRO 72 N 0.16 -0.35 -0.71 4.80 0.11 -1.94 0.36 132.00 134.43 2qdk h PRO 72 Ca 0.35 0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.45 2qdk h PRO 72 Cb 0.57 0.08 -0.03 0.00 0.11 0.00 0.00 31.00 31.72 2qdk h PRO 72 CO -0.52 -0.24 0.31 1.03 -0.21 0.00 0.00 178.00 178.37 2qdk h SER 73 N -0.37 0.93 -0.82 -2.05 0.87 -1.81 -2.68 113.55 107.63 2qdk h SER 73 Ca -0.02 -0.12 -0.03 0.00 -1.23 0.00 0.00 61.79 60.39 2qdk h SER 73 Cb 0.31 -0.24 -0.04 0.00 -0.44 0.00 0.00 62.40 61.99 2qdk h SER 73 CO 0.02 0.81 0.38 0.74 -0.53 0.00 0.00 176.83 178.25 2qdk h THR 74 N 1.01 1.26 -0.06 2.23 2.02 -1.04 -2.30 112.91 116.03 2qdk h THR 74 Ca 0.24 -0.73 -0.04 0.00 0.77 0.00 0.00 66.41 66.65 2qdk h THR 74 Cb 0.15 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 66.78 2qdk h THR 74 CO -0.03 0.31 -0.13 0.77 0.37 0.00 0.00 175.52 176.82 2qdk h SER 75 N 1.16 0.09 -0.02 4.18 4.64 0.04 -0.51 113.55 123.12 2qdk h SER 75 Ca 0.28 -0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.56 2qdk h SER 75 Cb 0.14 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 2qdk h SER 75 CO -0.03 0.23 -0.10 0.40 -0.87 0.00 0.00 176.83 176.46 2qdk h ILE 76 N 0.09 1.51 -0.28 0.95 2.04 -1.25 -2.30 117.51 118.26 2qdk h ILE 76 Ca 0.02 -1.63 -0.00 0.00 1.00 0.00 0.00 64.86 64.25 2qdk h ILE 76 Cb 0.28 2.54 -0.01 0.00 -0.74 0.00 0.00 36.82 38.89 2qdk h ILE 76 CO 0.02 0.44 0.17 0.00 0.00 0.00 0.00 178.15 178.78 2qdk h ALA 77 N 0.35 0.36 -0.40 1.87 0.00 -1.16 -1.01 119.26 119.27 2qdk h ALA 77 Ca -0.01 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2qdk h ALA 77 Cb 0.76 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2qdk h ALA 77 CO 0.02 -0.15 0.12 0.28 0.00 0.00 0.00 179.25 179.53 2qdk h VAL 78 N 0.36 1.21 -0.40 0.00 2.07 -1.19 -0.27 116.25 118.04 2qdk h VAL 78 Ca 0.10 -0.70 -0.00 0.00 0.82 0.00 0.00 66.70 66.91 2qdk h VAL 78 Cb 0.00 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 2qdk h VAL 78 CO -0.02 0.25 0.23 -0.08 0.02 0.00 0.00 177.57 177.97 2qdk h GLU 79 N 0.49 0.55 -0.07 1.57 4.57 -1.18 -0.41 114.58 120.10 2qdk h GLU 79 Ca 0.13 -0.06 -0.20 0.00 -1.18 0.00 0.00 59.36 58.05 2qdk h GLU 79 Cb 0.26 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 28.73 2qdk h GLU 79 CO -0.00 0.42 -0.79 0.93 -1.18 0.00 0.00 179.01 178.39 2qdk h GLU 80 N 0.52 0.44 -0.56 1.92 5.08 -1.08 -1.13 114.58 119.78 2qdk h GLU 80 Ca 0.14 -0.39 -0.02 0.00 -1.00 0.00 0.00 59.36 58.09 2qdk h GLU 80 Cb 0.02 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 2qdk h GLU 80 CO -0.03 1.03 0.26 -0.07 -1.00 0.00 0.00 179.01 179.20 2qdk h LEU 81 N 0.29 0.74 -0.79 1.33 3.38 -0.94 -1.78 115.31 117.54 2qdk h LEU 81 Ca -0.04 -0.14 0.05 0.00 0.09 0.00 0.00 57.88 57.83 2qdk h LEU 81 Cb 1.38 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.89 2qdk h LEU 81 CO 0.14 0.67 0.49 0.00 0.09 0.00 0.00 178.44 179.83 2qdk h ALA 82 N 1.10 1.07 -0.55 1.53 0.00 -0.83 -1.02 119.26 120.55 2qdk h ALA 82 Ca 0.19 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.11 2qdk h ALA 82 Cb 0.14 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2qdk h ALA 82 CO -0.02 0.25 0.36 1.96 0.00 0.00 0.00 179.25 181.80 2qdk h GLN 83 N 0.92 0.66 0.00 0.00 4.20 -0.76 -1.47 115.11 118.65 2qdk h GLN 83 Ca 0.33 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 59.01 2qdk h GLN 83 Cb 0.11 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.74 2qdk h GLN 83 CO -0.15 0.44 0.00 -0.07 -0.67 0.00 0.00 178.83 178.38 2qdk h LEU 84 N 0.68 0.00 0.00 1.46 3.38 -0.40 -3.47 115.31 116.97 2qdk h LEU 84 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 2qdk h LEU 84 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2qdk h LEU 84 CO -0.05 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.09 2qdk n GLY 85 N 1.17 0.46 3.74 0.83 0.00 -0.50 -4.78 105.19 106.10 2qdk n GLY 85 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 2qdk n GLY 85 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qdk s ILE 86 N -1.39 4.02 0.00 -0.61 -1.09 -0.54 -4.54 121.20 117.06 2qdk s ILE 86 Ca 0.00 1.76 0.00 0.00 -2.23 0.00 0.00 60.65 60.18 2qdk s ILE 86 Cb 0.00 -4.12 0.00 0.00 -1.58 0.00 0.00 42.46 36.76 2qdk s ILE 86 CO 0.00 0.31 0.00 0.54 -1.23 0.00 0.00 174.94 174.56 2qdk n ARG 87 N 2.35 5.10 -4.46 2.79 5.12 0.27 -4.16 116.66 123.67 2qdk n ARG 87 Ca 0.02 0.00 -0.23 0.00 -1.93 0.00 0.00 57.85 55.71 2qdk n ARG 87 Cb 0.47 -0.51 -0.16 0.00 -1.16 0.00 0.00 32.46 31.09 2qdk n ARG 87 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 2qdk s THR 88 N -1.00 0.95 -0.07 0.55 2.01 -0.80 -1.26 115.64 116.01 2qdk s THR 88 Ca 0.00 -0.37 0.03 0.00 0.31 0.00 0.00 61.69 61.66 2qdk s THR 88 Cb 0.00 -0.88 0.00 0.00 0.01 0.00 0.00 72.50 71.63 2qdk s THR 88 CO 0.00 0.31 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.71 2qdk s PHE 89 N 0.71 1.83 -0.25 4.92 0.40 0.49 -0.94 117.98 125.15 2qdk s PHE 89 Ca -0.13 -0.64 0.02 0.00 -0.60 0.00 0.00 56.93 55.57 2qdk s PHE 89 Cb -0.15 -1.26 0.06 0.00 0.51 0.00 0.00 43.02 42.18 2qdk s PHE 89 CO 0.03 -0.27 -0.08 -0.51 0.70 0.00 0.00 175.22 175.08 2qdk s LEU 90 N 0.35 3.02 0.15 -0.37 1.43 -0.14 -1.19 118.68 121.93 2qdk s LEU 90 Ca -0.12 -1.29 -0.30 0.00 -1.03 0.00 0.00 54.13 51.39 2qdk s LEU 90 Cb -0.15 -1.37 -0.07 0.00 0.03 0.00 0.00 46.19 44.64 2qdk s LEU 90 CO 0.04 -0.21 1.00 -0.60 0.23 0.00 0.00 176.35 176.81 2qdk s ARG 91 N 1.24 4.69 -0.17 1.70 3.52 -0.40 -0.58 118.95 128.97 2qdk s ARG 91 Ca -0.07 1.53 0.01 0.00 -0.13 0.00 0.00 55.73 57.06 2qdk s ARG 91 Cb -0.19 -3.34 0.03 0.00 -1.56 0.00 0.00 34.95 29.89 2qdk s ARG 91 CO -0.06 0.22 -0.15 -1.50 -0.81 0.00 0.00 175.30 173.00 2qdk s ILE 92 N -0.23 1.73 0.04 4.11 1.10 -1.16 -1.59 121.20 125.20 2qdk s ILE 92 Ca 0.47 -0.80 0.01 0.00 -0.51 0.00 0.00 60.65 59.81 2qdk s ILE 92 Cb -0.25 -1.64 -0.00 0.00 0.15 0.00 0.00 42.46 40.71 2qdk s ILE 92 CO 0.31 0.42 0.02 0.61 -2.11 0.00 0.00 174.94 174.20 2qdk n GLY 93 N 4.71 3.97 3.45 1.50 0.00 -0.29 -3.90 105.19 114.62 2qdk n GLY 93 Ca -0.18 -1.83 -0.26 0.00 0.00 0.00 0.00 46.02 43.76 2qdk n GLY 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qdk s THR 94 N -1.89 2.44 0.02 2.61 -4.23 -1.26 -1.28 115.64 112.04 2qdk s THR 94 Ca 0.03 -2.13 -0.20 0.00 -1.18 0.00 0.00 61.69 58.21 2qdk s THR 94 Cb 0.00 -2.21 0.04 0.00 1.34 0.00 0.00 72.50 71.68 2qdk s THR 94 CO 0.02 -0.21 0.44 0.28 -0.54 0.00 0.00 174.62 174.62 2qdk s THR 95 N -1.94 0.04 -0.28 3.99 -1.32 -0.60 -4.82 115.64 110.73 2qdk s THR 95 Ca 0.24 -0.37 -0.11 0.00 -1.21 0.00 0.00 61.69 60.24 2qdk s THR 95 Cb -0.07 -0.89 -0.05 0.00 -1.51 0.00 0.00 72.50 69.98 2qdk s THR 95 CO 0.12 -0.20 0.18 -0.83 -2.21 0.00 0.00 174.62 171.68 2qdk s GLY 96 N -1.75 1.93 0.33 6.08 0.00 -1.01 -1.34 107.32 111.56 2qdk s GLY 96 Ca -0.08 -1.08 -0.26 0.00 0.00 0.00 0.00 44.72 43.30 2qdk s GLY 96 CO 0.01 0.62 0.98 0.00 0.00 0.00 0.00 173.10 174.71 2qdk s ALA 97 N 1.70 3.21 -0.35 3.20 0.00 -0.13 -0.80 121.76 128.59 2qdk s ALA 97 Ca 0.07 0.60 0.03 0.00 0.00 0.00 0.00 51.96 52.66 2qdk s ALA 97 Cb -0.16 -3.21 0.08 0.00 0.00 0.00 0.00 23.12 19.82 2qdk s ALA 97 CO 0.10 0.08 0.94 0.44 0.00 0.00 0.00 175.76 177.32 2qdk n ILE 98 N 0.57 0.69 -4.33 0.00 -5.35 -0.45 0.42 119.36 110.91 2qdk n ILE 98 Ca 0.02 -0.84 -0.35 0.00 -0.27 0.00 0.00 62.75 61.31 2qdk n ILE 98 Cb 0.49 0.68 -0.10 0.00 -1.74 0.00 0.00 39.64 38.97 2qdk n ILE 98 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 2qdk s GLN 99 N -0.78 3.28 0.52 6.28 -1.52 -1.25 -4.70 119.66 121.50 2qdk s GLN 99 Ca 0.06 -0.43 0.23 0.00 -1.95 0.00 0.00 55.36 53.28 2qdk s GLN 99 Cb 0.04 -2.88 1.43 0.00 -0.22 0.00 0.00 33.01 31.38 2qdk s GLN 99 CO 0.05 0.53 2.12 -1.00 -0.25 0.00 0.00 175.29 176.74 2qdk h PRO 100 N 5.74 0.00 -0.02 2.91 0.13 -1.97 -2.87 132.00 135.93 2qdk h PRO 100 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2qdk h PRO 100 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2qdk h PRO 100 CO 0.59 0.09 -0.20 0.72 -0.23 0.00 0.00 178.00 178.96 2qdk n HIS 101 N -3.98 0.00 -2.62 1.56 8.25 -1.26 -4.85 115.22 112.32 2qdk n HIS 101 Ca -0.02 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.01 2qdk n HIS 101 Cb 0.17 -0.03 -0.02 0.00 1.12 0.00 0.00 29.99 31.24 2qdk n HIS 101 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2qdk s ILE 102 N -2.25 4.59 0.23 1.59 1.01 -1.08 -5.02 121.20 120.26 2qdk s ILE 102 Ca 0.26 1.91 -0.10 0.00 0.00 0.00 0.00 60.65 62.72 2qdk s ILE 102 Cb 0.19 -4.28 -0.07 0.00 0.01 0.00 0.00 42.46 38.32 2qdk s ILE 102 CO 0.43 -0.22 0.56 0.20 0.00 0.00 0.00 174.94 175.91 2qdk s ASN 103 N 1.40 6.64 0.23 3.58 0.01 -1.26 -4.86 114.94 120.69 2qdk s ASN 103 Ca 0.46 0.94 -0.32 0.00 -0.71 0.00 0.00 52.86 53.24 2qdk s ASN 103 Cb -0.16 -2.23 -0.13 0.00 0.41 0.00 0.00 41.25 39.14 2qdk s ASN 103 CO 0.09 -0.07 1.54 0.52 -1.51 0.00 0.00 177.10 177.67 2qdk n VAL 104 N -0.10 0.64 0.00 1.60 0.31 -1.26 -1.46 118.33 118.06 2qdk n VAL 104 Ca 0.00 -0.16 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 2qdk n VAL 104 Cb 0.52 -1.69 0.00 0.00 -0.91 0.00 0.00 33.84 31.76 2qdk n VAL 104 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2qdk n GLY 105 N 2.67 2.96 3.72 2.92 0.00 0.51 -4.96 105.19 113.01 2qdk n GLY 105 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 2qdk n GLY 105 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qdk s ASP 106 N -1.16 4.31 -0.22 1.61 -0.00 -0.54 -4.61 116.67 116.07 2qdk s ASP 106 Ca 0.00 2.40 -0.08 0.00 -0.00 0.00 0.00 52.55 54.87 2qdk s ASP 106 Cb 0.00 -2.59 -0.04 0.00 -0.00 0.00 0.00 42.92 40.29 2qdk s ASP 106 CO 0.00 -2.19 0.08 -0.69 -0.00 0.00 0.00 175.17 172.37 2qdk s VAL 107 N -1.86 4.73 -0.18 -1.27 1.01 -0.47 -1.25 120.40 121.12 2qdk s VAL 107 Ca 0.76 -0.04 -0.03 0.00 0.00 0.00 0.00 61.98 62.66 2qdk s VAL 107 Cb -0.31 -3.17 -0.02 0.00 0.00 0.00 0.00 36.38 32.88 2qdk s VAL 107 CO 0.44 0.40 -0.05 -0.76 0.00 0.00 0.00 175.10 175.12 2qdk s LEU 108 N 0.92 3.07 -0.21 3.92 1.43 0.04 -1.07 118.68 126.79 2qdk s LEU 108 Ca 0.04 -0.24 -0.07 0.00 -1.03 0.00 0.00 54.13 52.84 2qdk s LEU 108 Cb -0.14 -1.75 -0.03 0.00 0.03 0.00 0.00 46.19 44.30 2qdk s LEU 108 CO 0.03 0.10 0.04 -0.69 0.23 0.00 0.00 176.35 176.06 2qdk s VAL 109 N 0.75 4.38 -0.22 -1.59 1.01 0.35 -1.47 120.40 123.61 2qdk s VAL 109 Ca -0.02 -0.17 -0.19 0.00 0.00 0.00 0.00 61.98 61.61 2qdk s VAL 109 Cb -0.15 -3.00 -0.03 0.00 0.00 0.00 0.00 36.38 33.21 2qdk s VAL 109 CO 0.02 0.41 0.53 -0.89 0.00 0.00 0.00 175.10 175.17 2qdk s THR 110 N 0.92 5.08 0.03 3.92 2.01 -0.59 -1.76 115.64 125.25 2qdk s THR 110 Ca 0.03 0.96 -0.04 0.00 0.31 0.00 0.00 61.69 62.94 2qdk s THR 110 Cb -0.14 -3.85 -0.28 0.00 0.01 0.00 0.00 72.50 68.24 2qdk s THR 110 CO 0.02 0.13 0.97 0.71 -0.69 0.00 0.00 174.62 175.76 2qdk h THR 111 N 5.23 1.28 -2.43 -0.82 1.35 -1.21 -3.41 112.91 112.90 2qdk h THR 111 Ca -0.31 -2.88 0.09 0.00 -0.55 0.00 0.00 66.41 62.75 2qdk h THR 111 Cb 1.15 2.84 -0.14 0.00 -1.73 0.00 0.00 68.15 70.27 2qdk h THR 111 CO 0.74 0.84 0.44 0.00 -0.25 0.00 0.00 175.52 177.29 2qdk s ALA 112 N -2.63 -1.76 0.05 6.62 0.00 -1.26 -0.79 121.76 122.00 2qdk s ALA 112 Ca -0.07 0.84 0.09 0.00 0.00 0.00 0.00 51.96 52.81 2qdk s ALA 112 Cb 0.07 0.53 -0.03 0.00 0.00 0.00 0.00 23.12 23.69 2qdk s ALA 112 CO 0.87 -0.73 -0.24 -1.12 0.00 0.00 0.00 175.76 174.54 2qdk s SER 113 N -2.57 2.91 -0.02 0.00 0.01 -0.06 -2.15 113.70 111.82 2qdk s SER 113 Ca 0.05 -0.58 -0.30 0.00 1.31 0.00 0.00 55.95 56.43 2qdk s SER 113 Cb -0.01 -0.25 -0.06 0.00 0.21 0.00 0.00 66.02 65.91 2qdk s SER 113 CO -0.09 0.21 1.52 -0.69 0.41 0.00 0.00 173.24 174.61 2qdk s VAL 114 N -0.83 3.60 -1.31 3.43 1.01 0.91 -4.33 120.40 122.88 2qdk s VAL 114 Ca 0.10 0.89 -0.16 0.00 0.00 0.00 0.00 61.98 62.81 2qdk s VAL 114 Cb -0.10 -3.57 0.09 0.00 0.00 0.00 0.00 36.38 32.80 2qdk s VAL 114 CO 0.02 -0.04 1.78 0.54 0.00 0.00 0.00 175.10 177.41 2qdk n ARG 115 N 6.19 3.19 -1.02 2.72 1.74 -1.26 -1.33 116.66 126.89 2qdk n ARG 115 Ca 0.15 -3.27 -0.21 0.00 -0.77 0.00 0.00 57.85 53.75 2qdk n ARG 115 Cb 0.43 -3.35 0.12 0.00 -1.02 0.00 0.00 32.46 28.63 2qdk n ARG 115 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2qdk n LEU 116 N 7.29 6.32 -4.70 0.55 4.77 -0.22 -4.91 117.00 126.09 2qdk n LEU 116 Ca 0.47 -3.37 -0.31 0.00 -0.03 0.00 0.00 56.01 52.77 2qdk n LEU 116 Cb 0.44 -0.84 -0.09 0.00 -2.33 0.00 0.00 43.42 40.60 2qdk n LEU 116 CO 0.77 1.06 -0.26 1.51 -1.33 0.00 0.00 177.39 179.14 2qdk s ASP 117 N -0.86 3.92 -0.12 -1.43 3.84 -1.20 -1.83 116.67 118.99 2qdk s ASP 117 Ca 0.46 -1.58 0.06 0.00 -0.00 0.00 0.00 52.55 51.50 2qdk s ASP 117 Cb 0.38 0.28 -0.11 0.00 -1.38 0.00 0.00 42.92 42.09 2qdk s ASP 117 CO 0.06 -0.75 -0.02 0.61 -0.00 0.00 0.00 175.17 175.06 2qdk n GLY 118 N -1.15 -0.39 0.27 2.12 0.00 -1.26 -4.70 105.19 100.08 2qdk n GLY 118 Ca -0.14 -0.14 0.02 0.00 0.00 0.00 0.00 46.02 45.75 2qdk n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qdk h ALA 119 N 0.32 1.52 -0.81 4.61 0.00 -1.98 -2.11 119.26 120.81 2qdk h ALA 119 Ca -0.29 -0.15 0.11 0.00 0.00 0.00 0.00 54.91 54.57 2qdk h ALA 119 Cb 1.58 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 19.19 2qdk h ALA 119 CO -0.01 0.35 0.53 0.66 0.00 0.00 0.00 179.25 180.78 2qdk h SER 120 N 0.40 0.64 0.40 0.00 4.64 -1.85 0.36 113.55 118.14 2qdk h SER 120 Ca 0.09 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 2qdk h SER 120 Cb 0.24 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 2qdk h SER 120 CO 0.00 0.37 0.00 -0.07 -0.87 0.00 0.00 176.83 176.26 2qdk h LEU 121 N 0.70 0.00 -0.20 5.97 3.38 -1.51 -1.05 115.31 122.60 2qdk h LEU 121 Ca 0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.35 2qdk h LEU 121 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 2qdk h LEU 121 CO -0.15 0.00 -0.02 1.41 0.09 0.00 0.00 178.44 179.77 2qdk n HIS 122 N -2.44 0.00 -0.00 1.13 8.25 0.12 -3.95 115.22 118.32 2qdk n HIS 122 Ca -0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2qdk n HIS 122 Cb 0.15 -0.08 -0.00 0.00 1.12 0.00 0.00 29.99 31.17 2qdk n HIS 122 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 2qdk n PHE 123 N -0.85 0.00 -3.63 4.41 3.01 -0.46 -5.09 117.46 114.85 2qdk n PHE 123 Ca 0.20 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.50 2qdk n PHE 123 Cb 0.20 -0.03 -0.07 0.00 -0.01 0.00 0.00 39.48 39.57 2qdk n PHE 123 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2qdk s ALA 124 N -2.01 -1.46 0.90 4.37 0.00 -0.80 -5.00 121.76 117.75 2qdk s ALA 124 Ca -0.00 1.25 -0.11 0.00 0.00 0.00 0.00 51.96 53.10 2qdk s ALA 124 Cb 0.00 -0.35 0.13 0.00 0.00 0.00 0.00 23.12 22.90 2qdk s ALA 124 CO 0.02 -0.31 1.09 -1.25 0.00 0.00 0.00 175.76 175.31 2qdk s PRO 125 N -0.65 1.24 0.51 0.00 0.04 -1.26 -4.00 135.00 130.89 2qdk s PRO 125 Ca -0.07 0.95 0.21 0.00 0.04 0.00 0.00 61.00 62.13 2qdk s PRO 125 Cb -0.03 -1.80 1.31 0.00 0.04 0.00 0.00 34.50 34.02 2qdk s PRO 125 CO 0.05 -2.29 2.04 1.98 0.04 0.00 0.00 177.00 178.83 2qdk h MET 126 N -1.59 0.05 0.00 4.56 4.05 -1.94 -1.42 114.93 118.64 2qdk h MET 126 Ca -0.49 -0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 58.93 2qdk h MET 126 Cb 1.28 -0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 32.06 2qdk h MET 126 CO 0.52 0.03 -0.02 0.93 0.23 0.00 0.00 176.91 178.61 2qdk h GLU 127 N 0.05 0.00 -6.67 0.39 3.07 -2.03 -3.43 114.58 105.96 2qdk h GLU 127 Ca 0.17 0.00 -0.51 0.00 -0.50 0.00 0.00 59.36 58.52 2qdk h GLU 127 Cb 0.63 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.53 2qdk h GLU 127 CO -0.01 0.02 0.44 0.12 -1.40 0.00 0.00 179.01 178.17 2qdk s PHE 128 N -4.28 3.69 0.08 4.33 2.19 -0.54 -5.00 117.98 118.46 2qdk s PHE 128 Ca -0.04 1.70 -0.30 0.00 0.33 0.00 0.00 56.93 58.62 2qdk s PHE 128 Cb 0.13 -3.19 -0.05 0.00 -1.31 0.00 0.00 43.02 38.60 2qdk s PHE 128 CO 0.49 -0.28 1.03 -1.25 1.83 0.00 0.00 175.22 177.05 2qdk s PRO 129 N -0.56 4.59 -1.40 10.12 0.04 -1.26 -4.94 135.00 141.59 2qdk s PRO 129 Ca 0.47 1.54 -0.15 0.00 0.04 0.00 0.00 61.00 62.91 2qdk s PRO 129 Cb -0.28 -3.38 0.02 0.00 0.04 0.00 0.00 34.50 30.90 2qdk s PRO 129 CO 0.34 0.03 2.19 0.00 0.04 0.00 0.00 177.00 179.60 2qdk n ALA 130 N 3.24 5.31 -2.86 8.56 0.00 -1.26 -4.75 120.51 128.76 2qdk n ALA 130 Ca 0.05 -3.83 -0.36 0.00 0.00 0.00 0.00 53.44 49.30 2qdk n ALA 130 Cb 0.49 -3.55 -0.06 0.00 0.00 0.00 0.00 19.45 16.33 2qdk n ALA 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2qdk s VAL 131 N 3.39 5.32 0.53 0.00 0.11 -1.26 -0.88 120.40 127.61 2qdk s VAL 131 Ca 0.48 0.06 -0.17 0.00 -2.93 0.00 0.00 61.98 59.41 2qdk s VAL 131 Cb 0.14 -3.35 -0.07 0.00 -1.53 0.00 0.00 36.38 31.57 2qdk s VAL 131 CO -0.07 0.55 1.01 0.00 -3.33 0.00 0.00 175.10 173.26 2qdk s ALA 132 N -1.08 2.94 0.31 1.54 0.00 0.03 -4.69 121.76 120.81 2qdk s ALA 132 Ca 0.18 0.33 -0.29 0.00 0.00 0.00 0.00 51.96 52.17 2qdk s ALA 132 Cb -0.12 -3.18 -0.11 0.00 0.00 0.00 0.00 23.12 19.72 2qdk s ALA 132 CO 0.07 -0.38 1.51 0.34 0.00 0.00 0.00 175.76 177.30 2qdk s ASP 133 N -2.74 6.45 0.24 0.00 -1.08 -0.33 -4.93 116.67 114.28 2qdk s ASP 133 Ca 0.62 2.90 -0.05 0.00 -0.52 0.00 0.00 52.55 55.49 2qdk s ASP 133 Cb -0.13 -2.64 0.25 0.00 -1.46 0.00 0.00 42.92 38.94 2qdk s ASP 133 CO 0.29 -0.83 1.78 0.15 0.52 0.00 0.00 175.17 177.08 2qdk h PHE 134 N 4.31 1.05 -0.38 -5.34 3.57 -1.95 -2.01 116.94 116.19 2qdk h PHE 134 Ca -0.48 -0.10 -0.04 0.00 3.53 0.00 0.00 57.97 60.88 2qdk h PHE 134 Cb 1.22 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 39.64 2qdk h PHE 134 CO 0.57 0.85 0.10 0.00 -2.23 0.00 0.00 178.31 177.60 2qdk h ALA 135 N 1.22 0.50 -0.22 2.41 0.00 -1.96 -0.84 119.26 120.38 2qdk h ALA 135 Ca 0.21 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2qdk h ALA 135 Cb 0.31 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2qdk h ALA 135 CO -0.00 0.17 0.09 0.00 0.00 0.00 0.00 179.25 179.51 2qdk h THR 137 N 0.20 1.17 -0.42 0.00 2.02 -1.34 -1.00 112.91 113.54 2qdk h THR 137 Ca 0.07 -0.34 0.02 0.00 0.77 0.00 0.00 66.41 66.94 2qdk h THR 137 Cb 0.16 0.30 -0.03 0.00 -1.74 0.00 0.00 68.15 66.84 2qdk h THR 137 CO -0.01 0.17 0.25 0.74 0.37 0.00 0.00 175.52 177.04 2qdk h THR 138 N 0.82 1.04 -0.69 3.16 2.02 -1.00 -0.56 112.91 117.71 2qdk h THR 138 Ca 0.22 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.23 2qdk h THR 138 Cb -0.06 0.50 -0.03 0.00 -1.74 0.00 0.00 68.15 66.81 2qdk h THR 138 CO -0.04 0.09 0.45 0.00 0.37 0.00 0.00 175.52 176.39 2qdk h ALA 139 N 1.19 0.88 -0.50 6.16 0.00 -0.69 -0.94 119.26 125.35 2qdk h ALA 139 Ca 0.17 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 2qdk h ALA 139 Cb 0.01 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 2qdk h ALA 139 CO -0.08 0.31 0.15 -0.07 0.00 0.00 0.00 179.25 179.56 2qdk h LEU 140 N 0.94 0.74 -0.28 0.00 3.38 -0.73 -0.24 115.31 119.11 2qdk h LEU 140 Ca 0.25 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 2qdk h LEU 140 Cb -0.09 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 2qdk h LEU 140 CO -0.05 0.76 -0.04 0.58 0.09 0.00 0.00 178.44 179.78 2qdk h VAL 141 N 0.68 1.27 -0.07 1.22 2.07 -0.83 -1.09 116.25 119.51 2qdk h VAL 141 Ca 0.16 -1.03 -0.09 0.00 0.82 0.00 0.00 66.70 66.57 2qdk h VAL 141 Cb 0.29 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 2qdk h VAL 141 CO -0.00 0.33 -0.35 -0.33 0.02 0.00 0.00 177.57 177.23 2qdk h GLU 142 N 0.30 0.13 -0.48 1.57 5.08 -1.14 -1.35 114.58 118.68 2qdk h GLU 142 Ca 0.08 -0.05 -0.12 0.00 -1.00 0.00 0.00 59.36 58.27 2qdk h GLU 142 Cb 0.50 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 2qdk h GLU 142 CO 0.02 0.47 -0.15 0.00 -1.00 0.00 0.00 179.01 178.36 2qdk h ALA 143 N 1.53 0.67 0.00 3.43 0.00 -0.89 -2.04 119.26 121.96 2qdk h ALA 143 Ca 0.01 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.49 2qdk h ALA 143 Cb 0.69 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2qdk h ALA 143 CO 0.05 0.61 -0.36 0.00 0.00 0.00 0.00 179.25 179.55 2qdk h ALA 144 N 0.88 1.34 -0.08 0.00 0.00 -0.71 -2.46 119.26 118.23 2qdk h ALA 144 Ca 0.12 -0.33 -0.23 0.00 0.00 0.00 0.00 54.91 54.47 2qdk h ALA 144 Cb 0.71 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.46 2qdk h ALA 144 CO 0.05 0.45 -0.86 -0.22 0.00 0.00 0.00 179.25 178.67 2qdk h LYS 145 N 0.00 0.73 0.00 0.00 3.64 -1.17 -1.87 116.57 117.90 2qdk h LYS 145 Ca -0.00 -0.67 -0.02 0.00 -1.27 0.00 0.00 60.65 58.69 2qdk h LYS 145 Cb 0.66 0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.64 2qdk h LYS 145 CO 0.05 1.27 -0.09 0.66 -2.27 0.00 0.00 179.45 179.07 2qdk h SER 146 N 0.43 0.00 -0.10 4.20 4.64 -0.89 -2.32 113.55 119.51 2qdk h SER 146 Ca -0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 2qdk h SER 146 Cb 1.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.59 2qdk h SER 146 CO 0.17 0.09 0.00 2.30 -0.87 0.00 0.00 176.83 178.52 2qdk n ILE 147 N -4.37 0.13 -1.98 0.95 -5.35 -1.12 -5.00 119.36 102.63 2qdk n ILE 147 Ca -0.03 -0.57 -0.07 0.00 -0.27 0.00 0.00 62.75 61.82 2qdk n ILE 147 Cb 0.17 1.27 -0.01 0.00 -1.74 0.00 0.00 39.64 39.33 2qdk n ILE 147 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2qdk n GLY 148 N 1.08 0.22 3.79 3.28 0.00 -0.88 -5.01 105.19 107.68 2qdk n GLY 148 Ca 0.12 -0.63 -0.35 0.00 0.00 0.00 0.00 46.02 45.16 2qdk n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qdk s ALA 149 N -2.32 2.99 -0.14 4.61 0.00 -0.74 -4.99 121.76 121.18 2qdk s ALA 149 Ca 0.00 0.65 -0.29 0.00 0.00 0.00 0.00 51.96 52.31 2qdk s ALA 149 Cb 0.00 -3.26 -0.02 0.00 0.00 0.00 0.00 23.12 19.84 2qdk s ALA 149 CO 0.00 -0.24 1.32 0.99 0.00 0.00 0.00 175.76 177.84 2qdk s THR 150 N -1.82 4.17 0.01 0.00 2.01 -1.26 -4.83 115.64 113.91 2qdk s THR 150 Ca 0.62 1.41 0.00 0.00 0.31 0.00 0.00 61.69 64.04 2qdk s THR 150 Cb -0.19 -3.91 -0.01 0.00 0.01 0.00 0.00 72.50 68.40 2qdk s THR 150 CO 0.24 -0.12 -0.02 -0.89 -0.69 0.00 0.00 174.62 173.14 2qdk s THR 151 N 3.54 0.11 0.01 -0.82 2.01 -1.26 -1.36 115.64 117.87 2qdk s THR 151 Ca 0.58 -0.33 0.04 0.00 0.31 0.00 0.00 61.69 62.29 2qdk s THR 151 Cb -0.24 -0.15 -0.02 0.00 0.01 0.00 0.00 72.50 72.11 2qdk s THR 151 CO 0.17 -0.14 -0.13 -1.00 -0.69 0.00 0.00 174.62 172.83 2qdk s HIS 152 N -0.47 1.17 -0.11 4.92 3.76 -0.23 -4.97 115.29 119.35 2qdk s HIS 152 Ca -0.04 -0.28 0.02 0.00 -0.15 0.00 0.00 55.06 54.60 2qdk s HIS 152 Cb -0.03 -0.72 0.01 0.00 1.11 0.00 0.00 32.58 32.95 2qdk s HIS 152 CO -0.00 0.01 -0.16 0.08 -0.85 0.00 0.00 174.74 173.82 2qdk s VAL 153 N -0.57 1.53 -2.53 -0.90 1.01 -1.26 -0.50 120.40 117.17 2qdk s VAL 153 Ca 0.03 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.35 2qdk s VAL 153 Cb -0.06 -1.39 0.00 0.00 0.00 0.00 0.00 36.38 34.93 2qdk s VAL 153 CO 0.00 0.45 0.00 0.61 0.00 0.00 0.00 175.10 176.16 2qdk n GLY 154 N 4.15 -0.58 3.82 4.51 0.00 -0.72 -4.95 105.19 111.41 2qdk n GLY 154 Ca -0.19 -0.71 -0.38 0.00 0.00 0.00 0.00 46.02 44.74 2qdk n GLY 154 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qdk s VAL 155 N -3.44 4.79 0.05 1.61 1.01 -1.26 -0.63 120.40 122.54 2qdk s VAL 155 Ca 0.00 1.08 0.09 0.00 0.00 0.00 0.00 61.98 63.15 2qdk s VAL 155 Cb 0.00 -3.84 -0.03 0.00 0.00 0.00 0.00 36.38 32.51 2qdk s VAL 155 CO 0.00 0.46 -0.25 -0.89 0.00 0.00 0.00 175.10 174.42 2qdk s THR 156 N -1.22 2.25 -0.20 3.92 2.01 -0.91 -0.64 115.64 120.86 2qdk s THR 156 Ca 0.31 -1.40 -0.15 0.00 0.31 0.00 0.00 61.69 60.76 2qdk s THR 156 Cb -0.18 -1.90 -0.04 0.00 0.01 0.00 0.00 72.50 70.39 2qdk s THR 156 CO 0.19 0.33 0.36 0.00 -0.69 0.00 0.00 174.62 174.81 2qdk s ALA 157 N -0.85 3.56 -0.27 7.40 0.00 0.14 -0.06 121.76 131.68 2qdk s ALA 157 Ca 0.12 -0.54 -0.01 0.00 0.00 0.00 0.00 51.96 51.54 2qdk s ALA 157 Cb -0.10 -2.56 0.04 0.00 0.00 0.00 0.00 23.12 20.50 2qdk s ALA 157 CO 0.03 -0.21 -0.05 0.45 0.00 0.00 0.00 175.76 175.97 2qdk s SER 158 N 0.94 4.55 -0.02 0.00 0.15 -0.44 -1.89 113.70 116.98 2qdk s SER 158 Ca 0.18 -1.16 0.01 0.00 0.70 0.00 0.00 55.95 55.68 2qdk s SER 158 Cb -0.14 -1.65 -0.03 0.00 -1.71 0.00 0.00 66.02 62.48 2qdk s SER 158 CO 0.07 -0.19 -0.01 -0.55 1.20 0.00 0.00 173.24 173.76 2qdk s SER 159 N 1.24 5.08 0.00 5.45 0.15 -0.13 -1.06 113.70 124.43 2qdk s SER 159 Ca -0.04 0.01 0.25 0.00 0.70 0.00 0.00 55.95 56.87 2qdk s SER 159 Cb -0.19 -1.33 1.27 0.00 -1.71 0.00 0.00 66.02 64.06 2qdk s SER 159 CO -0.03 0.31 1.85 0.47 1.20 0.00 0.00 173.24 177.03 2qdk n ASP 160 N 1.61 0.00 -4.18 5.45 10.43 -0.76 -4.38 116.55 124.71 2qdk n ASP 160 Ca -0.16 -0.07 -0.14 0.00 2.57 0.00 0.00 54.79 57.00 2qdk n ASP 160 Cb 0.53 -0.29 -0.11 0.00 1.84 0.00 0.00 41.12 43.10 2qdk n ASP 160 CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 2qdk s THR 161 N -2.57 0.92 -0.03 -3.53 -4.23 -1.26 -5.02 115.64 99.90 2qdk s THR 161 Ca 0.24 -1.71 0.12 0.00 -1.18 0.00 0.00 61.69 59.16 2qdk s THR 161 Cb 0.17 -1.43 -0.19 0.00 1.34 0.00 0.00 72.50 72.39 2qdk s THR 161 CO 0.39 -0.62 0.88 0.15 -0.54 0.00 0.00 174.62 174.88 2qdk h PHE 162 N 3.43 0.00 0.00 3.99 3.04 -1.97 -3.38 116.94 122.05 2qdk h PHE 162 Ca -0.37 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.58 2qdk h PHE 162 Cb 1.19 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.70 2qdk h PHE 162 CO 0.63 0.88 0.00 0.66 -2.02 0.00 0.00 178.31 178.46 2qdk n TYR 163 N -3.09 0.00 0.03 0.41 4.02 -1.26 -4.29 117.16 112.98 2qdk n TYR 163 Ca -0.10 0.00 0.01 0.00 -0.01 0.00 0.00 57.90 57.80 2qdk n TYR 163 Cb 0.96 0.00 0.34 0.00 -0.02 0.00 0.00 39.34 40.62 2qdk n TYR 163 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 2qdk h PRO 164 N 0.00 0.47 0.00 -0.72 0.13 -1.88 -0.75 132.00 129.25 2qdk h PRO 164 Ca 0.00 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 65.04 2qdk h PRO 164 Cb 0.00 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.06 2qdk h PRO 164 CO 0.00 0.48 0.00 0.78 -0.23 0.00 0.00 178.00 179.03 2qdk h GLY 165 N 0.76 0.00 -2.43 1.56 0.00 -1.86 -0.60 103.07 100.50 2qdk h GLY 165 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.43 2qdk h GLY 165 CO 0.01 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.49 2qdk n GLN 166 N -2.79 3.76 -4.12 4.80 6.02 -0.87 -4.93 117.38 119.25 2qdk n GLN 166 Ca 0.01 -2.98 -0.30 0.00 -0.01 0.00 0.00 57.00 53.72 2qdk n GLN 166 Cb 0.29 -2.02 -0.05 0.00 1.02 0.00 0.00 30.24 29.48 2qdk n GLN 166 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 2qdk n GLU 167 N -0.02 -1.85 -3.20 -1.09 2.13 -0.23 -4.95 120.64 111.44 2qdk n GLU 167 Ca 0.24 0.23 -0.39 0.00 0.66 0.00 0.00 57.16 57.91 2qdk n GLU 167 Cb 1.02 -3.90 -0.05 0.00 0.27 0.00 0.00 31.44 28.78 2qdk n GLU 167 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 2qdk s ARG 168 N -6.98 4.38 -0.01 5.31 0.52 -0.34 -4.98 118.95 116.85 2qdk s ARG 168 Ca 0.07 0.64 0.15 0.00 -0.52 0.00 0.00 55.73 56.07 2qdk s ARG 168 Cb -0.03 -3.44 -0.18 0.00 0.52 0.00 0.00 34.95 31.82 2qdk s ARG 168 CO 0.95 0.13 0.53 0.66 0.02 0.00 0.00 175.30 177.59 2qdk n TYR 169 N 3.67 0.00 -1.72 -0.53 4.02 -1.26 -4.38 117.16 116.95 2qdk n TYR 169 Ca -0.05 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.43 2qdk n TYR 169 Cb 0.51 -0.11 -0.00 0.00 -0.02 0.00 0.00 39.34 39.72 2qdk n TYR 169 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 2qdk n ASP 170 N -1.56 4.78 -3.85 7.72 -0.08 -1.26 -4.16 116.55 118.13 2qdk n ASP 170 Ca 0.01 -2.83 -0.22 0.00 -1.51 0.00 0.00 54.79 50.24 2qdk n ASP 170 Cb 0.28 -1.62 -0.08 0.00 2.34 0.00 0.00 41.12 42.03 2qdk n ASP 170 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 2qdk s THR 171 N 2.73 0.35 0.16 5.18 -4.23 -1.26 -5.02 115.64 113.54 2qdk s THR 171 Ca 0.50 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.84 2qdk s THR 171 Cb 0.14 -2.42 0.04 0.00 1.34 0.00 0.00 72.50 71.60 2qdk s THR 171 CO -0.08 0.00 1.71 0.22 -0.54 0.00 0.00 174.62 175.94 2qdk h TYR 172 N 1.98 0.03 0.00 3.99 5.03 -1.99 -3.14 116.97 122.87 2qdk h TYR 172 Ca -0.32 0.02 -0.26 0.00 2.58 0.00 0.00 58.73 60.76 2qdk h TYR 172 Cb 1.26 0.04 -0.04 0.00 1.55 0.00 0.00 36.73 39.54 2qdk h TYR 172 CO 1.48 -0.04 -1.40 0.66 -1.32 0.00 0.00 178.16 177.55 2qdk h SER 173 N 0.13 0.01 0.00 -2.11 4.64 -1.97 -3.47 113.55 110.78 2qdk h SER 173 Ca 0.17 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 2qdk h SER 173 Cb 0.22 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 2qdk h SER 173 CO -0.26 1.01 0.00 0.61 -0.87 0.00 0.00 176.83 177.32 2qdk n GLY 174 N 1.47 0.42 3.70 -0.77 0.00 -1.19 -4.99 105.19 103.83 2qdk n GLY 174 Ca -0.10 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.64 2qdk n GLY 174 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2qdk s ARG 175 N -0.64 2.57 -0.06 1.61 3.52 -1.26 -4.90 118.95 119.79 2qdk s ARG 175 Ca 0.00 -0.93 0.02 0.00 -0.13 0.00 0.00 55.73 54.69 2qdk s ARG 175 Cb 0.00 -2.51 0.02 0.00 -1.56 0.00 0.00 34.95 30.90 2qdk s ARG 175 CO 0.00 0.50 -0.09 0.08 -0.81 0.00 0.00 175.30 174.98 2qdk s VAL 176 N -1.53 0.90 0.73 7.11 1.01 -1.26 -4.89 120.40 122.47 2qdk s VAL 176 Ca 0.27 -0.32 -0.16 0.00 0.00 0.00 0.00 61.98 61.77 2qdk s VAL 176 Cb -0.11 -0.86 0.01 0.00 0.00 0.00 0.00 36.38 35.42 2qdk s VAL 176 CO 0.19 0.31 1.01 0.55 0.00 0.00 0.00 175.10 177.16 2qdk n VAL 177 N 4.03 2.86 -0.30 2.92 3.14 -1.26 -4.53 118.33 125.19 2qdk n VAL 177 Ca -0.22 -0.36 0.12 0.00 -2.96 0.00 0.00 64.34 60.92 2qdk n VAL 177 Cb 0.51 -1.13 0.27 0.00 -1.06 0.00 0.00 33.84 32.43 2qdk n VAL 177 CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 2qdk h ARG 178 N -0.27 0.14 -0.56 1.45 2.43 -2.00 -0.16 114.38 115.40 2qdk h ARG 178 Ca -0.47 -0.01 0.09 0.00 -0.81 0.00 0.00 59.98 58.77 2qdk h ARG 178 Cb 1.33 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.82 2qdk h ARG 178 CO 0.47 0.09 0.38 -0.09 -1.51 0.00 0.00 179.97 179.31 2qdk h ARG 179 N 0.15 0.39 -0.00 0.20 2.43 -2.01 -2.60 114.38 112.92 2qdk h ARG 179 Ca 0.54 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.69 2qdk h ARG 179 Cb 1.08 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.55 2qdk h ARG 179 CO -0.71 0.26 -0.67 1.19 -1.51 0.00 0.00 179.97 178.52 2qdk n PHE 180 N -4.47 0.00 -1.67 2.20 3.01 -0.12 -4.73 117.46 111.67 2qdk n PHE 180 Ca 0.09 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.12 2qdk n PHE 180 Cb 0.34 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.78 2qdk n PHE 180 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 2qdk n LYS 181 N -0.99 2.77 -0.96 -1.08 5.02 -0.91 -1.05 118.16 120.96 2qdk n LYS 181 Ca 0.05 1.01 0.00 0.00 -2.02 0.00 0.00 58.31 57.35 2qdk n LYS 181 Cb 0.30 -2.94 0.00 0.00 -0.02 0.00 0.00 35.03 32.38 2qdk n LYS 181 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qdk n GLY 182 N 4.40 0.69 0.24 0.72 0.00 -1.26 -4.92 105.19 105.06 2qdk n GLY 182 Ca 0.19 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.14 2qdk n GLY 182 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2qdk h SER 183 N 0.00 0.67 -0.53 1.61 4.64 -1.38 -2.99 113.55 115.56 2qdk h SER 183 Ca 0.00 -0.27 -0.01 0.00 -0.47 0.00 0.00 61.79 61.05 2qdk h SER 183 Cb 0.05 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 61.93 2qdk h SER 183 CO 0.00 0.94 0.30 -0.03 -0.87 0.00 0.00 176.83 177.17 2qdk h MET 184 N 0.55 0.73 -0.44 4.77 -1.53 -1.92 -0.46 114.93 116.63 2qdk h MET 184 Ca 0.06 -0.08 -0.04 0.00 -3.44 0.00 0.00 59.70 56.21 2qdk h MET 184 Cb 0.82 -0.15 -0.02 0.00 -0.55 0.00 0.00 31.60 31.70 2qdk h MET 184 CO 0.07 0.55 0.12 1.05 0.14 0.00 0.00 176.91 178.84 2qdk h GLU 185 N 0.71 0.66 -0.21 0.39 -0.00 -1.96 0.10 114.58 114.27 2qdk h GLU 185 Ca 0.19 -0.11 -0.02 0.00 -0.00 0.00 0.00 59.36 59.41 2qdk h GLU 185 Cb 0.02 -0.11 -0.01 0.00 -0.00 0.00 0.00 28.75 28.65 2qdk h GLU 185 CO -0.03 0.59 0.04 1.49 -0.00 0.00 0.00 179.01 181.10 2qdk h GLU 186 N 0.64 0.35 -0.53 1.06 4.81 -1.23 -1.28 114.58 118.40 2qdk h GLU 186 Ca 0.15 -0.09 -0.04 0.00 -0.13 0.00 0.00 59.36 59.25 2qdk h GLU 186 Cb 0.22 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.54 2qdk h GLU 186 CO -0.01 0.49 0.17 -1.49 -0.73 0.00 0.00 179.01 177.45 2qdk h TRP 187 N 0.15 0.80 -0.60 0.92 -0.00 -0.72 -2.33 115.95 114.17 2qdk h TRP 187 Ca 0.07 -0.05 -0.02 0.00 -0.00 0.00 0.00 58.89 58.88 2qdk h TRP 187 Cb 0.31 -0.24 -0.03 0.00 -0.00 0.00 0.00 29.16 29.20 2qdk h TRP 187 CO 0.02 0.65 0.29 0.37 -0.00 0.00 0.00 178.44 179.77 2qdk h GLN 188 N 0.77 0.86 0.00 0.49 4.15 -0.55 -1.11 115.11 119.73 2qdk h GLN 188 Ca 0.18 -0.12 -0.06 0.00 0.77 0.00 0.00 58.65 59.42 2qdk h GLN 188 Cb 0.22 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.74 2qdk h GLN 188 CO -0.01 0.69 -0.27 0.00 -1.93 0.00 0.00 178.83 177.30 2qdk h ALA 189 N 1.13 1.30 -0.14 3.38 0.00 -0.90 -1.98 119.26 122.04 2qdk h ALA 189 Ca 0.21 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2qdk h ALA 189 Cb 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2qdk h ALA 189 CO -0.03 0.34 0.00 -1.33 0.00 0.00 0.00 179.25 178.23 2qdk n MET 190 N -3.85 1.58 -0.76 0.00 2.81 -0.87 -4.91 117.12 111.12 2qdk n MET 190 Ca -0.02 -0.88 0.00 0.00 -1.81 0.00 0.00 57.70 54.99 2qdk n MET 190 Cb 0.36 -1.37 0.00 0.00 -0.71 0.00 0.00 33.22 31.50 2qdk n MET 190 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2qdk n GLY 191 N 1.06 0.64 3.76 3.03 0.00 -0.74 -5.01 105.19 107.92 2qdk n GLY 191 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 2qdk n GLY 191 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qdk s VAL 192 N -2.11 2.47 0.03 1.61 1.01 -0.47 -4.67 120.40 118.26 2qdk s VAL 192 Ca 0.00 0.43 -0.03 0.00 0.00 0.00 0.00 61.98 62.38 2qdk s VAL 192 Cb 0.00 -3.27 -0.27 0.00 0.00 0.00 0.00 36.38 32.83 2qdk s VAL 192 CO 0.00 0.09 0.95 0.24 0.00 0.00 0.00 175.10 176.38 2qdk h MET 193 N 4.07 0.24 -2.05 2.72 0.00 -1.20 -3.42 114.93 115.27 2qdk h MET 193 Ca -0.48 -0.41 0.18 0.00 0.00 0.00 0.00 59.70 58.99 2qdk h MET 193 Cb 1.23 0.15 -0.14 0.00 0.00 0.00 0.00 31.60 32.84 2qdk h MET 193 CO 0.71 1.12 0.59 0.54 0.00 0.00 0.00 176.91 179.87 2qdk s ASN 194 N -6.99 -0.24 -0.03 1.22 4.22 -1.26 -1.34 114.94 110.52 2qdk s ASN 194 Ca -0.07 -0.12 0.01 0.00 -2.14 0.00 0.00 52.86 50.54 2qdk s ASN 194 Cb 0.07 0.34 -0.03 0.00 1.28 0.00 0.00 41.25 42.91 2qdk s ASN 194 CO 0.86 -0.59 -0.04 -0.31 -2.04 0.00 0.00 177.10 174.98 2qdk s TYR 195 N -2.96 3.00 0.00 1.54 2.02 0.02 -0.69 117.35 120.28 2qdk s TYR 195 Ca 0.09 0.05 0.00 0.00 -0.37 0.00 0.00 57.07 56.84 2qdk s TYR 195 Cb -0.00 -1.68 0.00 0.00 -0.40 0.00 0.00 41.96 39.87 2qdk s TYR 195 CO -0.05 0.40 0.00 -0.85 -1.57 0.00 0.00 175.55 173.48 2qdk n GLU 196 N 1.79 0.00 0.00 -0.62 -0.00 -0.79 -2.41 120.64 118.60 2qdk n GLU 196 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.00 2qdk n GLU 196 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.97 2qdk n GLU 196 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 2qdk n MET 197 N 0.00 -0.16 0.00 3.44 2.81 -1.26 -0.96 117.12 120.99 2qdk n MET 197 Ca 0.00 -0.48 0.00 0.00 -1.81 0.00 0.00 57.70 55.41 2qdk n MET 197 Cb 0.00 -0.83 0.00 0.00 -0.71 0.00 0.00 33.22 31.68 2qdk n MET 197 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2qdk n GLU 198 N -0.06 1.15 0.01 0.03 4.71 -1.26 -3.43 120.64 121.79 2qdk n GLU 198 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 57.16 57.07 2qdk n GLU 198 Cb 0.13 -0.90 0.09 0.00 -1.01 0.00 0.00 31.44 29.76 2qdk n GLU 198 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 2qdk h SER 199 N 0.00 0.56 -0.62 1.62 4.64 -1.94 -1.88 113.55 115.93 2qdk h SER 199 Ca 0.00 -0.27 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 2qdk h SER 199 Cb 0.00 -0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 61.90 2qdk h SER 199 CO 0.00 0.95 0.40 0.00 -0.87 0.00 0.00 176.83 177.31 2qdk h ALA 200 N 1.07 0.79 0.08 5.18 0.00 -1.87 0.26 119.26 124.76 2qdk h ALA 200 Ca 0.02 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2qdk h ALA 200 Cb 0.99 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2qdk h ALA 200 CO 0.09 0.24 -0.04 1.15 0.00 0.00 0.00 179.25 180.69 2qdk h THR 201 N 0.84 1.10 0.00 0.00 2.02 -1.88 -1.57 112.91 113.42 2qdk h THR 201 Ca 0.23 -0.65 0.03 0.00 0.77 0.00 0.00 66.41 66.78 2qdk h THR 201 Cb -0.07 1.52 -0.03 0.00 -1.74 0.00 0.00 68.15 67.82 2qdk h THR 201 CO -0.05 0.16 -0.18 0.25 0.37 0.00 0.00 175.52 176.07 2qdk h LEU 202 N -0.40 -0.53 -0.50 2.58 5.85 -1.02 -0.60 115.31 120.69 2qdk h LEU 202 Ca -0.01 0.08 -0.10 0.00 0.84 0.00 0.00 57.88 58.68 2qdk h LEU 202 Cb 0.34 0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.58 2qdk h LEU 202 CO 0.02 -0.24 -0.07 -0.07 -0.34 0.00 0.00 178.44 177.73 2qdk h LEU 203 N -0.30 0.94 -0.15 2.25 3.38 -0.53 -1.40 115.31 119.50 2qdk h LEU 203 Ca 0.06 -0.34 -0.02 0.00 0.09 0.00 0.00 57.88 57.67 2qdk h LEU 203 Cb 0.37 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 2qdk h LEU 203 CO -0.17 1.06 0.04 0.74 0.09 0.00 0.00 178.44 180.20 2qdk h THR 204 N 0.80 1.20 0.00 0.22 2.02 -1.17 -0.90 112.91 115.08 2qdk h THR 204 Ca 0.13 -0.64 -0.09 0.00 0.77 0.00 0.00 66.41 66.59 2qdk h THR 204 Cb 0.62 1.33 -0.01 0.00 -1.74 0.00 0.00 68.15 68.35 2qdk h THR 204 CO 0.04 0.19 -0.42 0.00 0.37 0.00 0.00 175.52 175.70 2qdk h MET 205 N 0.05 0.00 0.00 6.66 -0.00 -1.05 -2.37 114.93 118.22 2qdk h MET 205 Ca 0.05 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.73 2qdk h MET 205 Cb 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.86 2qdk h MET 205 CO 0.00 0.42 -0.08 0.00 -0.00 0.00 0.00 176.91 177.26 2qdk h ALA 207 N 0.20 1.36 -0.41 0.00 0.00 -1.14 -1.57 119.26 117.69 2qdk h ALA 207 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2qdk h ALA 207 Cb 0.88 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2qdk h ALA 207 CO 0.01 0.09 0.00 -1.13 0.00 0.00 0.00 179.25 178.22 2qdk n SER 208 N -3.69 3.19 -0.34 0.00 3.41 -0.90 -4.32 113.62 110.97 2qdk n SER 208 Ca -0.02 -1.95 0.02 0.00 -0.26 0.00 0.00 58.87 56.65 2qdk n SER 208 Cb 0.18 -0.27 0.03 0.00 -0.26 0.00 0.00 64.21 63.89 2qdk n SER 208 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qdk n GLN 209 N 1.30 0.38 -2.04 4.33 6.02 -0.77 -5.01 117.38 121.58 2qdk n GLN 209 Ca 0.19 -1.31 -0.09 0.00 -0.01 0.00 0.00 57.00 55.79 2qdk n GLN 209 Cb 0.55 -0.73 -0.01 0.00 1.02 0.00 0.00 30.24 31.07 2qdk n GLN 209 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2qdk n GLY 210 N -0.33 0.15 3.52 1.08 0.00 -1.09 -5.03 105.19 103.50 2qdk n GLY 210 Ca 0.03 -0.54 -0.31 0.00 0.00 0.00 0.00 46.02 45.21 2qdk n GLY 210 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qdk s LEU 211 N -2.42 2.86 -0.09 0.99 1.43 -0.66 -5.05 118.68 115.73 2qdk s LEU 211 Ca 0.00 -0.37 -0.14 0.00 -1.03 0.00 0.00 54.13 52.59 2qdk s LEU 211 Cb 0.00 -1.67 -0.05 0.00 0.03 0.00 0.00 46.19 44.50 2qdk s LEU 211 CO 0.00 0.23 0.36 -0.13 0.23 0.00 0.00 176.35 177.04 2qdk s ARG 212 N -1.71 4.07 0.01 1.70 0.52 -0.39 -3.91 118.95 119.24 2qdk s ARG 212 Ca 0.17 0.26 0.00 0.00 -0.52 0.00 0.00 55.73 55.65 2qdk s ARG 212 Cb -0.11 -3.33 -0.01 0.00 0.52 0.00 0.00 34.95 32.02 2qdk s ARG 212 CO 0.09 0.44 -0.02 0.00 0.02 0.00 0.00 175.30 175.82 2qdk s ALA 213 N -0.22 0.14 0.20 2.13 0.00 -1.26 -0.38 121.76 122.38 2qdk s ALA 213 Ca 0.21 -0.29 0.05 0.00 0.00 0.00 0.00 51.96 51.92 2qdk s ALA 213 Cb -0.15 0.04 -0.05 0.00 0.00 0.00 0.00 23.12 22.97 2qdk s ALA 213 CO 0.09 -0.04 -0.06 0.20 0.00 0.00 0.00 175.76 175.94 2qdk s GLY 214 N -0.64 1.36 -0.04 0.00 0.00 -0.33 -1.19 107.32 106.47 2qdk s GLY 214 Ca -0.06 -1.65 -0.02 0.00 0.00 0.00 0.00 44.72 42.99 2qdk s GLY 214 CO -0.00 -1.66 0.06 -0.29 0.00 0.00 0.00 173.10 171.21 2qdk s MET 215 N -3.78 -0.06 0.02 2.90 1.75 -1.26 -1.27 119.30 117.60 2qdk s MET 215 Ca 0.23 0.35 0.02 0.00 -1.25 0.00 0.00 55.69 55.04 2qdk s MET 215 Cb 0.04 -0.42 -0.01 0.00 2.84 0.00 0.00 34.83 37.27 2qdk s MET 215 CO 0.05 -0.29 -0.06 0.54 -0.65 0.00 0.00 175.02 174.61 2qdk s VAL 216 N 1.90 0.45 -0.01 10.11 0.11 -0.62 -1.54 120.40 130.80 2qdk s VAL 216 Ca 0.01 -0.68 -0.10 0.00 -2.93 0.00 0.00 61.98 58.28 2qdk s VAL 216 Cb -0.12 -0.46 0.01 0.00 -1.53 0.00 0.00 36.38 34.27 2qdk s VAL 216 CO -0.03 -0.17 0.21 0.00 -3.33 0.00 0.00 175.10 171.77 2qdk s ALA 217 N -0.82 -0.51 -0.07 1.54 0.00 -0.54 -1.14 121.76 120.21 2qdk s ALA 217 Ca -0.05 0.07 -0.11 0.00 0.00 0.00 0.00 51.96 51.87 2qdk s ALA 217 Cb -0.06 0.08 -0.05 0.00 0.00 0.00 0.00 23.12 23.09 2qdk s ALA 217 CO 0.00 -0.22 0.28 0.20 0.00 0.00 0.00 175.76 176.02 2qdk s GLY 218 N -1.30 2.31 -0.07 0.00 0.00 -0.41 -0.78 107.32 107.07 2qdk s GLY 218 Ca -0.14 -0.43 -0.30 0.00 0.00 0.00 0.00 44.72 43.86 2qdk s GLY 218 CO 0.03 -0.03 1.07 0.14 0.00 0.00 0.00 173.10 174.31 2qdk s VAL 219 N -0.83 4.59 -0.37 1.40 1.01 -0.38 -1.55 120.40 124.27 2qdk s VAL 219 Ca 0.19 1.87 0.08 0.00 0.00 0.00 0.00 61.98 64.12 2qdk s VAL 219 Cb -0.14 -4.20 -0.09 0.00 0.00 0.00 0.00 36.38 31.94 2qdk s VAL 219 CO 0.08 0.03 0.34 2.30 0.00 0.00 0.00 175.10 177.85 2qdk n ILE 220 N 4.46 0.00 -3.62 2.22 -5.35 -0.45 -0.37 119.36 116.25 2qdk n ILE 220 Ca 0.09 -0.30 -0.16 0.00 -0.27 0.00 0.00 62.75 62.12 2qdk n ILE 220 Cb 0.48 0.96 -0.07 0.00 -1.74 0.00 0.00 39.64 39.27 2qdk n ILE 220 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2qdk s VAL 221 N -1.82 0.01 -0.28 7.28 0.11 -1.24 -4.68 120.40 119.78 2qdk s VAL 221 Ca 0.03 -0.09 -0.07 0.00 -2.93 0.00 0.00 61.98 58.92 2qdk s VAL 221 Cb 0.06 -0.88 -0.01 0.00 -1.53 0.00 0.00 36.38 34.03 2qdk s VAL 221 CO 0.34 -0.05 0.09 0.21 -3.33 0.00 0.00 175.10 172.36 2qdk s ASN 222 N -0.66 5.19 0.13 3.54 3.84 -1.26 -0.96 114.94 124.75 2qdk s ASN 222 Ca -0.07 -0.49 0.25 0.00 0.21 0.00 0.00 52.86 52.76 2qdk s ASN 222 Cb -0.03 -1.92 0.95 0.00 -0.55 0.00 0.00 41.25 39.71 2qdk s ASN 222 CO 0.06 -0.13 1.78 0.54 -2.79 0.00 0.00 177.10 176.55 2qdk n ARG 223 N 4.91 0.14 0.00 0.43 5.12 0.17 -1.81 116.66 125.61 2qdk n ARG 223 Ca -0.15 0.18 0.10 0.00 -1.93 0.00 0.00 57.85 56.05 2qdk n ARG 223 Cb 0.49 -1.68 0.49 0.00 -1.16 0.00 0.00 32.46 30.61 2qdk n ARG 223 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 2qdk n THR 224 N -1.92 0.43 0.00 0.55 -2.24 -1.26 -4.03 114.28 105.81 2qdk n THR 224 Ca 0.05 0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.94 2qdk n THR 224 Cb 0.34 -0.77 0.00 0.00 -2.10 0.00 0.00 70.33 67.80 2qdk n THR 224 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qdk n GLN 225 N -1.33 0.00 -3.59 -0.78 6.02 -0.75 -5.09 117.38 111.86 2qdk n GLN 225 Ca 0.09 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.96 2qdk n GLN 225 Cb 0.18 -0.90 -0.04 0.00 1.02 0.00 0.00 30.24 30.50 2qdk n GLN 225 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 2qdk s GLN 226 N -1.94 1.09 0.06 -1.09 -2.07 -0.83 -5.06 119.66 109.82 2qdk s GLN 226 Ca 0.00 -0.57 -0.00 0.00 -1.82 0.00 0.00 55.36 52.96 2qdk s GLN 226 Cb 0.00 0.49 -0.26 0.00 -1.09 0.00 0.00 33.01 32.15 2qdk s GLN 226 CO 0.00 -0.43 1.07 0.93 -1.32 0.00 0.00 175.29 175.54 2qdk h GLU 227 N 2.40 0.19 -4.53 9.60 5.08 -1.86 -3.35 114.58 122.11 2qdk h GLU 227 Ca -0.33 -0.32 -0.39 0.00 -1.00 0.00 0.00 59.36 57.32 2qdk h GLU 227 Cb 1.26 0.12 -0.30 0.00 0.50 0.00 0.00 28.75 30.33 2qdk h GLU 227 CO 0.44 1.10 -0.77 0.42 -1.00 0.00 0.00 179.01 179.20 2qdk s ILE 228 N -2.65 0.64 0.81 3.13 -1.09 -1.26 -5.02 121.20 115.75 2qdk s ILE 228 Ca -0.04 -0.32 -0.12 0.00 -2.23 0.00 0.00 60.65 57.94 2qdk s ILE 228 Cb 0.08 -0.56 0.08 0.00 -1.58 0.00 0.00 42.46 40.48 2qdk s ILE 228 CO 0.86 0.19 1.16 -2.84 -1.23 0.00 0.00 174.94 173.08 2qdk s PRO 229 N 0.02 1.76 0.17 2.79 0.02 -1.26 -4.92 135.00 133.57 2qdk s PRO 229 Ca 0.00 1.54 -0.09 0.00 0.02 0.00 0.00 61.00 62.47 2qdk s PRO 229 Cb -0.05 -1.81 0.04 0.00 0.02 0.00 0.00 34.50 32.69 2qdk s PRO 229 CO -0.00 -2.07 1.55 -0.91 -0.33 0.00 0.00 177.00 175.24 2qdk h ASN 230 N -1.05 0.98 0.00 2.53 2.35 -2.01 -3.53 115.58 114.85 2qdk h ASN 230 Ca -0.45 -0.38 0.00 0.00 -0.55 0.00 0.00 56.30 54.92 2qdk h ASN 230 Cb 1.27 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 39.37 2qdk h ASN 230 CO 0.47 1.16 0.00 0.00 -1.65 0.00 0.00 177.43 177.42 2qdk n ALA 231 N -2.52 0.00 0.00 -0.83 0.00 -1.26 -5.30 120.51 110.60 2qdk n ALA 231 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2qdk n ALA 231 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 2qdk n ALA 231 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2qdk n SER 239 N 0.00 0.00 -0.06 0.00 2.88 -1.26 -5.28 113.62 109.90 2qdk n SER 239 Ca 0.00 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.43 2qdk n SER 239 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 2qdk n SER 239 CO 0.00 0.00 0.00 0.45 -1.23 0.00 0.00 175.04 174.26 2qdk h HIS 240 N 0.00 0.33 -0.83 0.66 3.86 -1.99 -1.93 115.15 115.25 2qdk h HIS 240 Ca 0.00 -0.03 0.10 0.00 -1.16 0.00 0.00 60.37 59.28 2qdk h HIS 240 Cb 0.00 -0.10 -0.06 0.00 1.06 0.00 0.00 27.41 28.31 2qdk h HIS 240 CO 0.00 0.39 0.54 0.00 0.86 0.00 0.00 177.93 179.72 2qdk h ALA 241 N 0.90 1.72 -0.18 2.45 0.00 -1.93 -0.75 119.26 121.48 2qdk h ALA 241 Ca 0.07 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 2qdk h ALA 241 Cb 0.21 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 2qdk h ALA 241 CO -0.00 0.11 -0.11 0.28 0.00 0.00 0.00 179.25 179.53 2qdk h VAL 242 N 0.79 1.32 -0.79 0.00 2.07 -1.94 -0.80 116.25 116.90 2qdk h VAL 242 Ca 0.38 -1.18 0.09 0.00 0.82 0.00 0.00 66.70 66.81 2qdk h VAL 242 Cb 0.44 1.70 -0.07 0.00 -1.52 0.00 0.00 31.29 31.84 2qdk h VAL 242 CO -0.15 0.35 0.44 0.11 0.02 0.00 0.00 177.57 178.34 2qdk h LYS 243 N 0.07 0.73 -0.25 1.57 1.57 -0.83 -2.31 116.57 117.11 2qdk h LYS 243 Ca 0.04 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 2qdk h LYS 243 Cb 0.60 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 2qdk h LYS 243 CO 0.03 0.48 0.10 0.82 -0.57 0.00 0.00 179.45 180.31 2qdk h ILE 244 N 0.75 1.17 -0.26 1.86 2.04 -0.94 -1.29 117.51 120.83 2qdk h ILE 244 Ca 0.38 -0.50 -0.06 0.00 1.00 0.00 0.00 64.86 65.67 2qdk h ILE 244 Cb 0.34 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 2qdk h ILE 244 CO -0.24 0.17 -0.11 1.62 0.00 0.00 0.00 178.15 179.59 2qdk h VAL 245 N 0.26 1.21 -0.21 1.67 3.04 -0.85 0.11 116.25 121.49 2qdk h VAL 245 Ca 0.08 -0.93 -0.08 0.00 -1.01 0.00 0.00 66.70 64.76 2qdk h VAL 245 Cb 0.17 1.14 -0.00 0.00 -2.01 0.00 0.00 31.29 30.58 2qdk h VAL 245 CO -0.01 0.30 -0.18 0.58 -1.01 0.00 0.00 177.57 177.25 2qdk h VAL 246 N 0.40 1.32 -0.76 1.51 2.07 -1.31 -1.73 116.25 117.76 2qdk h VAL 246 Ca 0.08 -1.33 -0.04 0.00 0.82 0.00 0.00 66.70 66.23 2qdk h VAL 246 Cb 0.44 1.73 -0.03 0.00 -1.52 0.00 0.00 31.29 31.91 2qdk h VAL 246 CO 0.02 0.41 0.33 -0.08 0.02 0.00 0.00 177.57 178.27 2qdk h GLU 247 N 0.17 1.11 -0.56 1.57 4.57 -0.93 -2.10 114.58 118.40 2qdk h GLU 247 Ca 0.04 -0.17 -0.08 0.00 -1.18 0.00 0.00 59.36 57.96 2qdk h GLU 247 Cb 0.72 -0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 29.10 2qdk h GLU 247 CO 0.05 0.87 0.04 0.00 -1.18 0.00 0.00 179.01 178.79 2qdk h ALA 248 N 1.27 1.02 -0.69 2.92 0.00 -0.76 -2.74 119.26 120.29 2qdk h ALA 248 Ca 0.26 -0.27 0.07 0.00 0.00 0.00 0.00 54.91 54.97 2qdk h ALA 248 Cb 0.16 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.67 2qdk h ALA 248 CO -0.03 0.61 0.37 0.00 0.00 0.00 0.00 179.25 180.21 2qdk h ALA 249 N 1.17 0.93 -0.78 0.00 0.00 -0.81 -1.80 119.26 117.98 2qdk h ALA 249 Ca 0.17 0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.22 2qdk h ALA 249 Cb 0.45 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.06 2qdk h ALA 249 CO 0.02 0.03 0.40 -0.09 0.00 0.00 0.00 179.25 179.61 2qdk h ARG 250 N 0.67 0.63 0.00 0.00 2.43 -1.10 -1.22 114.38 115.79 2qdk h ARG 250 Ca 0.32 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.45 2qdk h ARG 250 Cb 0.24 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 2qdk h ARG 250 CO -0.21 0.42 0.00 0.00 -1.51 0.00 0.00 179.97 178.67 2qdk h ARG 251 N 0.65 0.00 -0.07 0.20 3.08 -1.18 -3.17 114.38 113.88 2qdk h ARG 251 Ca 0.40 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.45 2qdk h ARG 251 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.51 2qdk h ARG 251 CO -0.30 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 179.88 2qdk n LEU 252 N -2.64 2.73 -0.09 3.04 4.77 -0.51 -5.07 117.00 119.23 2qdk n LEU 252 Ca 0.02 -1.09 0.16 0.00 -0.03 0.00 0.00 56.01 55.08 2qdk n LEU 252 Cb 0.33 -0.03 0.87 0.00 -2.33 0.00 0.00 43.42 42.26 2qdk n LEU 252 CO 0.26 0.49 1.07 0.18 -1.33 0.00 0.00 177.39 178.06