#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qdk n ASP 5 N 0.00 0.00 -4.75 -3.46 10.43 -0.96 -4.98 116.55 112.84 2qdk n ASP 5 Ca 0.00 0.00 -0.35 0.00 2.57 0.00 0.00 54.79 57.01 2qdk n ASP 5 Cb 0.00 0.00 0.05 0.00 1.84 0.00 0.00 41.12 43.01 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 0.00 2.56 0.16 2.53 -7.23 -1.12 -4.93 120.40 112.38 2qdk s VAL 6 Ca 0.00 0.33 -0.07 0.00 -1.81 0.00 0.00 61.98 60.43 2qdk s VAL 6 Cb 0.00 -3.05 -0.07 0.00 0.56 0.00 0.00 36.38 33.82 2qdk s VAL 6 CO 0.00 -0.10 1.47 0.15 -0.31 0.00 0.00 175.10 176.31 2qdk h PHE 7 N 0.54 0.88 0.02 2.82 3.57 -1.93 -3.23 116.94 119.61 2qdk h PHE 7 Ca -0.50 -0.31 -0.39 0.00 3.53 0.00 0.00 57.97 60.30 2qdk h PHE 7 Cb 1.30 -0.17 -0.06 0.00 2.79 0.00 0.00 35.95 39.81 2qdk h PHE 7 CO 0.47 1.09 -2.38 0.72 -2.23 0.00 0.00 178.31 175.98 2qdk n HIS 8 N -3.98 0.24 0.29 0.41 8.25 -1.26 -4.59 115.22 114.58 2qdk n HIS 8 Ca -0.04 0.06 0.13 0.00 -0.26 0.00 0.00 57.72 57.61 2qdk n HIS 8 Cb 0.61 -1.03 0.30 0.00 1.12 0.00 0.00 29.99 30.99 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 -0.14 0.00 2.03 2.41 3.38 -1.93 -3.44 115.31 117.62 2qdk h LEU 9 Ca -0.56 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.08 2qdk h LEU 9 Cb 1.87 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.62 2qdk h LEU 9 CO -0.11 0.00 -0.43 0.61 0.09 0.00 0.00 178.44 178.60 2qdk n GLY 10 N 0.90 -0.30 3.61 0.83 0.00 -1.22 -4.71 105.19 104.31 2qdk n GLY 10 Ca 0.04 -0.18 -0.28 0.00 0.00 0.00 0.00 46.02 45.60 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 -4.80 3.13 0.24 0.99 1.43 -1.26 -4.83 118.68 113.58 2qdk s LEU 11 Ca 0.04 -0.43 0.10 0.00 -1.03 0.00 0.00 54.13 52.81 2qdk s LEU 11 Cb -0.02 -1.85 -0.04 0.00 0.03 0.00 0.00 46.19 44.31 2qdk s LEU 11 CO 0.05 0.13 -0.05 0.42 0.23 0.00 0.00 176.35 177.13 2qdk s THR 12 N -1.50 3.29 0.35 5.49 -4.23 -1.26 -2.26 115.64 115.52 2qdk s THR 12 Ca 0.24 -1.88 0.08 0.00 -1.18 0.00 0.00 61.69 58.95 2qdk s THR 12 Cb -0.10 -2.72 0.31 0.00 1.34 0.00 0.00 72.50 71.34 2qdk s THR 12 CO 0.16 -0.30 1.88 0.11 -0.54 0.00 0.00 174.62 175.94 2qdk h LYS 13 N 2.24 0.71 -0.96 3.99 1.57 -1.96 -1.42 116.57 120.74 2qdk h LYS 13 Ca -0.45 -0.04 0.03 0.00 -1.87 0.00 0.00 60.65 58.32 2qdk h LYS 13 Cb 1.24 -0.16 -0.05 0.00 0.08 0.00 0.00 32.23 33.33 2qdk h LYS 13 CO 0.59 0.47 0.63 -0.97 -0.57 0.00 0.00 179.45 179.60 2qdk h ASN 14 N 0.74 1.05 -0.52 0.86 -1.24 -1.95 -2.21 115.58 112.31 2qdk h ASN 14 Ca 0.43 -0.01 0.11 0.00 0.71 0.00 0.00 56.30 57.54 2qdk h ASN 14 Cb 0.61 -0.24 -0.03 0.00 0.73 0.00 0.00 38.32 39.39 2qdk h ASN 14 CO -0.19 0.72 0.36 0.44 -1.29 0.00 0.00 177.43 177.48 2qdk h ASP 15 N 1.22 0.18 1.90 1.15 3.45 -1.65 -2.26 116.42 120.40 2qdk h ASP 15 Ca 0.38 0.01 -0.01 0.00 0.43 0.00 0.00 57.03 57.83 2qdk h ASP 15 Cb -0.01 -0.03 -0.00 0.00 -0.56 0.00 0.00 39.33 38.72 2qdk h ASP 15 CO -0.11 0.10 -0.04 -0.07 -1.57 0.00 0.00 179.24 177.55 2qdk h LEU 16 N 0.20 0.00 -1.20 1.55 4.07 -1.44 -3.48 115.31 115.01 2qdk h LEU 16 Ca 0.25 0.00 -0.50 0.00 0.08 0.00 0.00 57.88 57.70 2qdk h LEU 16 Cb 0.70 0.00 -0.09 0.00 1.08 0.00 0.00 40.66 42.35 2qdk h LEU 16 CO -0.04 0.04 -0.81 0.00 -1.08 0.00 0.00 178.44 176.55 2qdk n GLN 17 N -3.11 -4.35 -0.55 1.13 6.02 -0.85 -1.48 117.38 114.18 2qdk n GLN 17 Ca 0.04 0.49 0.00 0.00 -0.01 0.00 0.00 57.00 57.52 2qdk n GLN 17 Cb 0.53 -5.20 0.00 0.00 1.02 0.00 0.00 30.24 26.59 2qdk n GLN 17 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2qdk n GLY 18 N -1.62 0.75 3.71 1.08 0.00 -1.26 -4.70 105.19 103.15 2qdk n GLY 18 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.35 1.60 -0.01 4.61 0.00 -0.55 -4.90 120.51 120.92 2qdk n ALA 19 Ca 0.00 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.82 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 1.24 4.88 -4.58 0.00 1.13 -1.26 -4.24 117.38 114.55 2qdk n GLN 20 Ca 0.07 -0.11 -0.22 0.00 -1.94 0.00 0.00 57.00 54.80 2qdk n GLN 20 Cb 0.35 -0.60 -0.15 0.00 0.11 0.00 0.00 30.24 29.95 2qdk n GLN 20 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 2qdk s LEU 21 N -1.46 1.95 -0.04 1.08 0.20 -1.26 -0.71 118.68 118.44 2qdk s LEU 21 Ca 0.00 -0.24 0.04 0.00 0.69 0.00 0.00 54.13 54.62 2qdk s LEU 21 Cb 0.00 -0.69 -0.00 0.00 -0.43 0.00 0.00 46.19 45.07 2qdk s LEU 21 CO 0.00 0.14 -0.14 0.00 -0.29 0.00 0.00 176.35 176.05 2qdk s ALA 22 N -0.14 1.30 -0.22 5.97 0.00 -0.30 -1.40 121.76 126.97 2qdk s ALA 22 Ca 0.02 -0.57 -0.17 0.00 0.00 0.00 0.00 51.96 51.24 2qdk s ALA 22 Cb -0.07 -0.44 -0.03 0.00 0.00 0.00 0.00 23.12 22.57 2qdk s ALA 22 CO 0.00 0.23 0.47 0.42 0.00 0.00 0.00 175.76 176.88 2qdk s ILE 23 N 0.10 5.13 -0.51 0.00 -1.09 0.68 -0.96 121.20 124.54 2qdk s ILE 23 Ca -0.04 0.83 0.04 0.00 -2.23 0.00 0.00 60.65 59.26 2qdk s ILE 23 Cb -0.11 -3.79 0.13 0.00 -1.58 0.00 0.00 42.46 37.11 2qdk s ILE 23 CO 0.02 0.18 0.25 0.68 -1.23 0.00 0.00 174.94 174.83 2qdk s VAL 24 N 1.72 2.55 0.76 2.92 -7.23 -0.16 -1.62 120.40 119.35 2qdk s VAL 24 Ca 0.21 -3.27 -0.12 0.00 -1.81 0.00 0.00 61.98 57.00 2qdk s VAL 24 Cb -0.15 -2.78 0.05 0.00 0.56 0.00 0.00 36.38 34.05 2qdk s VAL 24 CO 0.09 -0.79 1.12 -2.16 -0.31 0.00 0.00 175.10 173.05 2qdk s PRO 25 N -0.23 2.43 -0.01 4.82 0.04 -1.24 -3.28 135.00 137.54 2qdk s PRO 25 Ca 0.17 0.40 -0.21 0.00 0.04 0.00 0.00 61.00 61.41 2qdk s PRO 25 Cb -0.26 -1.98 -0.24 0.00 0.04 0.00 0.00 34.50 32.07 2qdk s PRO 25 CO -0.00 -1.32 1.08 0.78 0.04 0.00 0.00 177.00 177.57 2qdk h GLY 26 N -0.86 0.42 -5.69 0.56 0.00 -1.85 -1.05 103.07 94.59 2qdk h GLY 26 Ca -0.46 -0.74 -0.59 0.00 0.00 0.00 0.00 47.33 45.55 2qdk h GLY 26 CO 0.63 0.65 0.32 -0.35 0.00 0.00 0.00 176.54 177.80 2qdk s ASP 27 N -6.70 6.83 0.37 0.19 3.68 -1.26 -1.46 116.67 118.32 2qdk s ASP 27 Ca -0.14 1.02 0.13 0.00 2.13 0.00 0.00 52.55 55.70 2qdk s ASP 27 Cb 0.03 -2.41 0.96 0.00 -1.45 0.00 0.00 42.92 40.05 2qdk s ASP 27 CO 0.81 -0.39 1.80 -0.65 0.13 0.00 0.00 175.17 176.88 2qdk h PRO 28 N 7.48 0.52 0.00 4.34 0.11 -1.88 -1.34 132.00 141.22 2qdk h PRO 28 Ca -0.28 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.79 2qdk h PRO 28 Cb 1.13 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.12 2qdk h PRO 28 CO 0.82 0.35 0.00 0.39 -0.21 0.00 0.00 178.00 179.35 2qdk n GLU 29 N -4.63 0.15 0.00 1.05 1.02 -1.26 -2.11 120.64 114.86 2qdk n GLU 29 Ca 0.22 0.33 0.12 0.00 -0.02 0.00 0.00 57.16 57.81 2qdk n GLU 29 Cb 0.70 -1.76 0.28 0.00 -0.02 0.00 0.00 31.44 30.64 2qdk n GLU 29 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 2qdk n ARG 30 N -2.05 0.36 0.13 3.49 0.63 -0.51 -4.40 116.66 114.32 2qdk n ARG 30 Ca 0.03 -0.22 -0.14 0.00 -0.92 0.00 0.00 57.85 56.61 2qdk n ARG 30 Cb 0.26 -1.50 -0.08 0.00 0.45 0.00 0.00 32.46 31.60 2qdk n ARG 30 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 2qdk h VAL 31 N 0.53 0.84 -0.34 5.15 2.07 -1.49 -2.35 116.25 120.66 2qdk h VAL 31 Ca 0.00 -0.07 -0.05 0.00 0.82 0.00 0.00 66.70 67.40 2qdk h VAL 31 Cb 0.51 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 2qdk h VAL 31 CO 0.00 0.02 0.01 -0.08 0.02 0.00 0.00 177.57 177.53 2qdk h GLU 32 N -0.28 0.52 -0.60 1.57 4.22 -1.78 -1.24 114.58 117.00 2qdk h GLU 32 Ca -0.03 -0.11 -0.04 0.00 0.08 0.00 0.00 59.36 59.26 2qdk h GLU 32 Cb 0.22 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 2qdk h GLU 32 CO 0.04 0.54 0.20 0.87 -2.18 0.00 0.00 179.01 178.48 2qdk h LYS 33 N 0.50 0.92 -0.21 1.92 1.57 -1.73 -0.53 116.57 119.00 2qdk h LYS 33 Ca 0.11 -0.19 -0.09 0.00 -1.87 0.00 0.00 60.65 58.61 2qdk h LYS 33 Cb 0.32 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.49 2qdk h LYS 33 CO 0.01 0.81 -0.23 0.82 -0.57 0.00 0.00 179.45 180.29 2qdk h ILE 34 N 0.84 1.33 -0.74 1.86 2.04 -1.04 -3.12 117.51 118.68 2qdk h ILE 34 Ca 0.19 -1.41 0.04 0.00 1.00 0.00 0.00 64.86 64.69 2qdk h ILE 34 Cb 0.26 1.76 -0.04 0.00 -0.74 0.00 0.00 36.82 38.06 2qdk h ILE 34 CO -0.01 0.43 0.49 0.00 0.00 0.00 0.00 178.15 179.06 2qdk h ALA 35 N 0.64 1.60 0.00 1.87 0.00 -1.03 -2.50 119.26 119.84 2qdk h ALA 35 Ca 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2qdk h ALA 35 Cb 0.79 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2qdk h ALA 35 CO 0.06 0.32 0.00 0.00 0.00 0.00 0.00 179.25 179.63 2qdk n ALA 36 N -2.43 1.62 0.87 0.00 0.00 -0.23 -1.27 120.51 119.08 2qdk n ALA 36 Ca 0.10 0.08 0.13 0.00 0.00 0.00 0.00 53.44 53.75 2qdk n ALA 36 Cb 0.15 -1.36 0.55 0.00 0.00 0.00 0.00 19.45 18.78 2qdk n ALA 36 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2qdk n LEU 37 N -2.16 0.19 -4.84 0.00 4.77 -0.94 -4.86 117.00 109.16 2qdk n LEU 37 Ca 0.02 0.52 -0.29 0.00 -0.03 0.00 0.00 56.01 56.23 2qdk n LEU 37 Cb 0.21 -0.46 -0.04 0.00 -2.33 0.00 0.00 43.42 40.80 2qdk n LEU 37 CO 0.18 -0.07 -0.08 -0.04 -1.33 0.00 0.00 177.39 176.06 2qdk s MET 38 N -3.03 2.23 0.38 3.23 -1.94 -0.40 -5.12 119.30 114.66 2qdk s MET 38 Ca 0.13 -2.17 -0.21 0.00 -1.71 0.00 0.00 55.69 51.73 2qdk s MET 38 Cb 0.17 -1.87 -0.10 0.00 2.01 0.00 0.00 34.83 35.03 2qdk s MET 38 CO 0.52 -0.50 0.91 -0.51 -0.01 0.00 0.00 175.02 175.43 2qdk s ASP 39 N -4.11 7.01 -1.32 3.03 1.01 -0.66 -4.38 116.67 117.26 2qdk s ASP 39 Ca 0.23 1.66 -0.09 0.00 0.71 0.00 0.00 52.55 55.05 2qdk s ASP 39 Cb -0.01 -2.52 0.00 0.00 1.01 0.00 0.00 42.92 41.40 2qdk s ASP 39 CO 0.14 -0.26 0.52 0.29 0.21 0.00 0.00 175.17 176.07 2qdk n LYS 40 N -0.28 -2.26 -2.42 8.23 5.02 -1.26 -0.19 118.16 125.01 2qdk n LYS 40 Ca 0.05 0.37 -0.41 0.00 -2.02 0.00 0.00 58.31 56.30 2qdk n LYS 40 Cb 0.53 -4.15 -0.04 0.00 -0.02 0.00 0.00 35.03 31.35 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 -6.54 4.54 -0.03 1.97 0.04 -1.26 -4.35 135.00 129.37 2qdk s PRO 41 Ca 0.18 1.83 -0.01 0.00 0.04 0.00 0.00 61.00 63.04 2qdk s PRO 41 Cb -0.07 -3.24 0.02 0.00 0.04 0.00 0.00 34.50 31.25 2qdk s PRO 41 CO 0.90 -0.00 0.06 0.08 0.04 0.00 0.00 177.00 178.07 2qdk s VAL 42 N -0.28 -0.04 0.25 -0.36 1.01 0.12 -4.99 120.40 116.11 2qdk s VAL 42 Ca 0.51 0.14 -0.30 0.00 0.00 0.00 0.00 61.98 62.33 2qdk s VAL 42 Cb -0.32 -0.11 -0.09 0.00 0.00 0.00 0.00 36.38 35.86 2qdk s VAL 42 CO 0.37 0.06 1.13 -0.75 0.00 0.00 0.00 175.10 175.91 2qdk s LYS 43 N 0.75 4.59 -0.20 2.72 2.20 -1.26 -0.38 119.74 128.16 2qdk s LYS 43 Ca -0.06 1.82 -0.12 0.00 -0.36 0.00 0.00 55.97 57.25 2qdk s LYS 43 Cb -0.08 -3.21 -0.08 0.00 -1.51 0.00 0.00 37.83 32.94 2qdk s LYS 43 CO -0.03 0.11 -0.29 1.28 -0.36 0.00 0.00 175.35 176.07 2qdk n LEU 44 N 1.62 1.62 -3.56 5.43 4.77 0.14 -4.88 117.00 122.15 2qdk n LEU 44 Ca 0.01 0.28 -0.08 0.00 -0.03 0.00 0.00 56.01 56.19 2qdk n LEU 44 Cb 0.45 -0.66 -0.02 0.00 -2.33 0.00 0.00 43.42 40.86 2qdk n LEU 44 CO 0.55 0.25 0.65 0.00 -1.33 0.00 0.00 177.39 177.50 2qdk s ALA 45 N -2.49 -1.74 -0.19 -1.18 0.00 -1.10 -5.02 121.76 110.04 2qdk s ALA 45 Ca -0.29 0.72 -0.04 0.00 0.00 0.00 0.00 51.96 52.34 2qdk s ALA 45 Cb 0.10 0.54 0.10 0.00 0.00 0.00 0.00 23.12 23.86 2qdk s ALA 45 CO 0.38 -0.79 0.31 0.45 0.00 0.00 0.00 175.76 176.12 2qdk s SER 46 N -2.63 0.46 -0.05 0.00 0.15 -1.26 -1.11 113.70 109.26 2qdk s SER 46 Ca 0.06 0.35 -0.02 0.00 0.70 0.00 0.00 55.95 57.04 2qdk s SER 46 Cb -0.01 0.86 0.03 0.00 -1.71 0.00 0.00 66.02 65.19 2qdk s SER 46 CO -0.07 -0.28 0.10 -1.00 1.20 0.00 0.00 173.24 173.20 2qdk s HIS 47 N 2.47 -0.10 0.00 3.44 3.76 -0.58 -5.00 115.29 119.28 2qdk s HIS 47 Ca 0.06 0.34 0.00 0.00 -0.15 0.00 0.00 55.06 55.31 2qdk s HIS 47 Cb -0.14 -0.11 0.00 0.00 1.11 0.00 0.00 32.58 33.45 2qdk s HIS 47 CO -0.12 -0.12 0.00 0.54 -0.85 0.00 0.00 174.74 174.18 2qdk n ARG 48 N 3.99 0.00 -0.27 1.40 1.74 -1.26 -0.49 116.66 121.77 2qdk n ARG 48 Ca -0.24 0.00 0.05 0.00 -0.77 0.00 0.00 57.85 56.88 2qdk n ARG 48 Cb 0.53 0.00 0.16 0.00 -1.02 0.00 0.00 32.46 32.13 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 2.19 -3.59 5.56 0.00 -1.26 -4.74 120.64 132.80 2qdk n GLU 49 Ca 0.00 -1.30 -0.40 0.00 0.00 0.00 0.00 57.16 55.46 2qdk n GLU 49 Cb 0.00 -1.50 -0.08 0.00 0.00 0.00 0.00 31.44 29.86 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 -1.65 3.49 -0.16 -1.84 0.40 0.35 -4.00 117.98 114.57 2qdk s PHE 50 Ca 0.23 -2.20 -0.05 0.00 -0.60 0.00 0.00 56.93 54.32 2qdk s PHE 50 Cb 0.15 -3.43 -0.03 0.00 0.51 0.00 0.00 43.02 40.21 2qdk s PHE 50 CO 0.12 -0.95 -0.01 0.99 0.70 0.00 0.00 175.22 176.07 2qdk s THR 51 N 0.75 4.14 -0.02 0.64 2.01 -1.26 -1.52 115.64 120.37 2qdk s THR 51 Ca 0.11 -0.27 0.04 0.00 0.31 0.00 0.00 61.69 61.88 2qdk s THR 51 Cb -0.22 -2.83 -0.01 0.00 0.01 0.00 0.00 72.50 69.46 2qdk s THR 51 CO -0.03 0.49 -0.14 -0.94 -0.69 0.00 0.00 174.62 173.31 2qdk s SER 52 N 0.32 1.70 0.12 3.53 1.04 -0.27 -1.58 113.70 118.56 2qdk s SER 52 Ca -0.02 -0.27 0.05 0.00 0.48 0.00 0.00 55.95 56.20 2qdk s SER 52 Cb -0.14 -0.33 -0.04 0.00 0.10 0.00 0.00 66.02 65.61 2qdk s SER 52 CO 0.02 0.14 -0.13 0.26 0.98 0.00 0.00 173.24 174.51 2qdk s TRP 53 N -0.10 1.33 0.09 5.02 0.52 0.05 -0.68 118.94 125.17 2qdk s TRP 53 Ca 0.01 -0.59 0.09 0.00 0.02 0.00 0.00 56.10 55.63 2qdk s TRP 53 Cb -0.08 -0.70 -0.04 0.00 -1.15 0.00 0.00 33.47 31.51 2qdk s TRP 53 CO 0.00 0.12 -0.21 0.50 0.02 0.00 0.00 176.95 177.38 2qdk s ARG 54 N -2.80 1.76 0.20 4.98 3.52 0.49 -1.15 118.95 125.95 2qdk s ARG 54 Ca 0.09 -1.17 -0.03 0.00 -0.13 0.00 0.00 55.73 54.49 2qdk s ARG 54 Cb -0.04 -2.06 0.01 0.00 -1.56 0.00 0.00 34.95 31.30 2qdk s ARG 54 CO 0.02 0.49 0.32 0.00 -0.81 0.00 0.00 175.30 175.33 2qdk n ALA 55 N 1.12 -0.45 -2.70 6.12 0.00 -0.57 0.10 120.51 124.13 2qdk n ALA 55 Ca -0.16 -0.82 -0.22 0.00 0.00 0.00 0.00 53.44 52.24 2qdk n ALA 55 Cb 0.53 0.66 -0.15 0.00 0.00 0.00 0.00 19.45 20.48 2qdk n ALA 55 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2qdk s GLU 56 N -2.30 1.13 -0.15 0.00 2.02 0.74 -0.52 118.70 119.63 2qdk s GLU 56 Ca 0.13 -0.46 -0.02 0.00 0.02 0.00 0.00 54.97 54.65 2qdk s GLU 56 Cb -0.01 -1.07 0.05 0.00 0.10 0.00 0.00 34.13 33.19 2qdk s GLU 56 CO 0.10 0.25 0.01 -1.17 0.02 0.00 0.00 175.26 174.47 2qdk s LEU 57 N -0.19 1.05 -1.38 1.80 2.96 0.49 -1.65 118.68 121.77 2qdk s LEU 57 Ca 0.03 -0.54 -0.04 0.00 -0.22 0.00 0.00 54.13 53.36 2qdk s LEU 57 Cb -0.06 -0.60 0.02 0.00 0.50 0.00 0.00 46.19 46.05 2qdk s LEU 57 CO -0.00 -0.24 0.74 0.47 -1.32 0.00 0.00 176.35 175.99 2qdk n ASP 58 N 5.05 -1.99 0.00 3.68 10.43 -1.26 -1.55 116.55 130.91 2qdk n ASP 58 Ca -0.09 -0.84 0.00 0.00 2.57 0.00 0.00 54.79 56.43 2qdk n ASP 58 Cb 0.48 -3.87 0.00 0.00 1.84 0.00 0.00 41.12 39.58 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 -1.66 0.57 3.47 0.44 0.00 -1.26 -4.99 105.19 101.75 2qdk n GLY 59 Ca -0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.45 3.24 0.31 1.61 1.02 -0.59 -5.07 119.74 119.81 2qdk s LYS 60 Ca 0.00 -0.61 -0.29 0.00 0.02 0.00 0.00 55.97 55.09 2qdk s LYS 60 Cb 0.00 -2.68 -0.10 0.00 -0.52 0.00 0.00 37.83 34.53 2qdk s LYS 60 CO 0.00 0.36 1.39 0.00 -0.92 0.00 0.00 175.35 176.18 2qdk s ALA 61 N -0.01 3.56 0.09 5.17 0.00 -1.26 -0.38 121.76 128.93 2qdk s ALA 61 Ca -0.02 1.34 0.03 0.00 0.00 0.00 0.00 51.96 53.32 2qdk s ALA 61 Cb -0.14 -3.53 -0.03 0.00 0.00 0.00 0.00 23.12 19.42 2qdk s ALA 61 CO 0.03 -0.75 -0.10 0.14 0.00 0.00 0.00 175.76 175.08 2qdk s VAL 62 N -0.71 0.86 -0.02 0.00 -7.23 0.33 -4.25 120.40 109.37 2qdk s VAL 62 Ca 0.53 -1.55 0.01 0.00 -1.81 0.00 0.00 61.98 59.16 2qdk s VAL 62 Cb -0.42 -1.24 -0.03 0.00 0.56 0.00 0.00 36.38 35.24 2qdk s VAL 62 CO 0.51 -0.54 -0.01 -0.63 -0.31 0.00 0.00 175.10 174.13 2qdk s ILE 63 N -2.30 4.10 -0.19 -0.62 -1.09 -0.49 -1.51 121.20 119.10 2qdk s ILE 63 Ca 0.03 -0.55 0.01 0.00 -2.23 0.00 0.00 60.65 57.91 2qdk s ILE 63 Cb -0.04 -2.80 0.03 0.00 -1.58 0.00 0.00 42.46 38.07 2qdk s ILE 63 CO -0.00 0.43 -0.17 -0.69 -1.23 0.00 0.00 174.94 173.28 2qdk s VAL 64 N -1.02 1.96 -0.03 2.92 1.01 -0.30 -0.23 120.40 124.70 2qdk s VAL 64 Ca 0.18 -0.99 0.01 0.00 0.00 0.00 0.00 61.98 61.17 2qdk s VAL 64 Cb -0.11 -1.84 0.02 0.00 0.00 0.00 0.00 36.38 34.45 2qdk s VAL 64 CO 0.08 0.41 -0.02 0.00 0.00 0.00 0.00 175.10 175.58 2qdk s SER 66 N 0.95 6.28 -0.02 0.00 1.04 -0.62 -3.66 113.70 117.68 2qdk s SER 66 Ca -0.11 1.71 0.13 0.00 0.48 0.00 0.00 55.95 58.17 2qdk s SER 66 Cb -0.14 -2.52 -0.20 0.00 0.10 0.00 0.00 66.02 63.26 2qdk s SER 66 CO -0.01 -0.83 0.34 0.35 0.98 0.00 0.00 173.24 174.08 2qdk n THR 67 N -1.66 0.00 -0.33 2.02 -2.24 -0.40 -4.45 114.28 107.22 2qdk n THR 67 Ca 0.08 -0.29 0.05 0.00 -2.27 0.00 0.00 64.05 61.61 2qdk n THR 67 Cb 0.53 0.34 -0.01 0.00 -2.10 0.00 0.00 70.33 69.09 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 1.66 -1.47 3.71 3.38 0.00 -0.54 -3.38 105.19 108.55 2qdk n GLY 68 Ca -0.02 -1.45 -0.40 0.00 0.00 0.00 0.00 46.02 44.16 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 -1.36 5.04 0.00 -0.61 1.01 -1.26 -4.72 121.20 119.30 2qdk s ILE 69 Ca 0.00 1.40 0.00 0.00 0.00 0.00 0.00 60.65 62.05 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 0.22 0.00 0.61 0.00 0.00 0.00 174.94 175.77 2qdk n GLY 70 N 3.23 2.49 0.30 6.18 0.00 -1.24 -4.59 105.19 111.56 2qdk n GLY 70 Ca -0.01 -1.88 0.03 0.00 0.00 0.00 0.00 46.02 44.16 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 1.24 0.96 -0.02 0.00 -1.83 -2.10 103.07 101.32 2qdk h GLY 71 Ca 0.00 -0.30 -0.00 0.00 0.00 0.00 0.00 47.33 47.03 2qdk h GLY 71 CO 0.00 0.12 -0.03 -2.55 0.00 0.00 0.00 176.54 174.08 2qdk h PRO 72 N 0.76 -0.07 -0.17 4.80 0.11 -1.93 0.19 132.00 135.69 2qdk h PRO 72 Ca 0.39 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 66.37 2qdk h PRO 72 Cb 0.36 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.48 2qdk h PRO 72 CO -0.25 -0.01 -0.46 0.66 -0.21 0.00 0.00 178.00 177.74 2qdk h SER 73 N -0.12 0.45 -0.50 -2.05 4.64 -1.80 -2.87 113.55 111.30 2qdk h SER 73 Ca -0.01 -0.21 0.06 0.00 -0.47 0.00 0.00 61.79 61.16 2qdk h SER 73 Cb 0.10 -0.13 -0.05 0.00 -0.31 0.00 0.00 62.40 62.01 2qdk h SER 73 CO 0.01 0.84 0.20 0.74 -0.87 0.00 0.00 176.83 177.76 2qdk h THR 74 N 0.34 0.87 -0.20 2.95 2.02 -1.02 -2.23 112.91 115.64 2qdk h THR 74 Ca 0.02 -0.14 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 2qdk h THR 74 Cb 0.94 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 67.77 2qdk h THR 74 CO 0.08 0.07 0.08 0.77 0.37 0.00 0.00 175.52 176.89 2qdk h SER 75 N 0.40 0.24 -0.01 4.18 4.64 -0.41 -1.07 113.55 121.51 2qdk h SER 75 Ca 0.23 -0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.54 2qdk h SER 75 Cb 0.22 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.25 2qdk h SER 75 CO -0.21 0.22 -0.01 0.40 -0.87 0.00 0.00 176.83 176.36 2qdk h ILE 76 N 0.27 1.38 -0.38 0.95 2.04 -1.33 -1.93 117.51 118.51 2qdk h ILE 76 Ca 0.07 -1.13 0.03 0.00 1.00 0.00 0.00 64.86 64.83 2qdk h ILE 76 Cb 0.06 2.13 -0.03 0.00 -0.74 0.00 0.00 36.82 38.23 2qdk h ILE 76 CO -0.01 0.30 0.19 0.00 0.00 0.00 0.00 178.15 178.63 2qdk h ALA 77 N 0.53 0.47 -0.30 1.87 0.00 -0.93 -1.20 119.26 119.70 2qdk h ALA 77 Ca 0.00 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 2qdk h ALA 77 Cb 0.49 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2qdk h ALA 77 CO 0.00 -0.18 0.02 0.28 0.00 0.00 0.00 179.25 179.38 2qdk h VAL 78 N 0.38 1.25 -0.29 0.00 2.07 -1.27 -1.20 116.25 117.18 2qdk h VAL 78 Ca 0.16 -0.88 0.04 0.00 0.82 0.00 0.00 66.70 66.84 2qdk h VAL 78 Cb 0.08 1.23 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 2qdk h VAL 78 CO -0.12 0.29 0.07 -0.08 0.02 0.00 0.00 177.57 177.74 2qdk h GLU 79 N 0.32 0.17 -0.20 1.57 4.57 -1.21 0.15 114.58 119.95 2qdk h GLU 79 Ca 0.09 -0.01 -0.19 0.00 -1.18 0.00 0.00 59.36 58.07 2qdk h GLU 79 Cb 0.39 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.94 2qdk h GLU 79 CO 0.01 0.11 -0.62 0.93 -1.18 0.00 0.00 179.01 178.26 2qdk h GLU 80 N 0.18 0.71 -0.73 1.92 5.08 -1.13 -1.03 114.58 119.59 2qdk h GLU 80 Ca 0.14 -0.49 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 2qdk h GLU 80 Cb 0.14 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.43 2qdk h GLU 80 CO -0.17 1.12 0.45 -0.07 -1.00 0.00 0.00 179.01 179.34 2qdk h LEU 81 N 0.53 0.86 -0.86 1.33 3.38 -1.12 -2.12 115.31 117.30 2qdk h LEU 81 Ca -0.01 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 2qdk h LEU 81 Cb 1.22 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.71 2qdk h LEU 81 CO 0.13 0.65 0.48 0.00 0.09 0.00 0.00 178.44 179.78 2qdk h ALA 82 N 1.24 1.10 -0.40 1.53 0.00 -0.71 -1.12 119.26 120.90 2qdk h ALA 82 Ca 0.26 -0.13 0.08 0.00 0.00 0.00 0.00 54.91 55.13 2qdk h ALA 82 Cb -0.06 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.36 2qdk h ALA 82 CO -0.05 0.61 0.28 1.96 0.00 0.00 0.00 179.25 182.04 2qdk h GLN 83 N 1.20 0.17 -0.02 0.00 4.20 -0.80 -1.63 115.11 118.23 2qdk h GLN 83 Ca 0.30 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.00 2qdk h GLN 83 Cb 0.02 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.77 2qdk h GLN 83 CO -0.05 0.11 0.00 1.28 -0.67 0.00 0.00 178.83 179.50 2qdk n LEU 84 N -4.46 1.56 0.00 1.46 4.77 -0.54 -4.93 117.00 114.86 2qdk n LEU 84 Ca 0.06 -0.52 0.00 0.00 -0.03 0.00 0.00 56.01 55.52 2qdk n LEU 84 Cb 0.35 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 2qdk n LEU 84 CO 0.35 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 177.28 2qdk n GLY 85 N 1.18 0.81 3.74 -0.72 0.00 -0.61 -4.82 105.19 104.77 2qdk n GLY 85 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.00 3.34 0.00 -0.61 -1.09 -0.54 -4.53 121.20 115.77 2qdk s ILE 86 Ca 0.00 1.14 0.00 0.00 -2.23 0.00 0.00 60.65 59.56 2qdk s ILE 86 Cb 0.00 -3.73 0.00 0.00 -1.58 0.00 0.00 42.46 37.15 2qdk s ILE 86 CO 0.00 0.19 0.00 0.54 -1.23 0.00 0.00 174.94 174.44 2qdk n ARG 87 N 2.35 4.00 -4.53 2.79 5.12 0.11 -4.13 116.66 122.37 2qdk n ARG 87 Ca 0.04 0.00 -0.23 0.00 -1.93 0.00 0.00 57.85 55.73 2qdk n ARG 87 Cb 0.44 -0.43 -0.16 0.00 -1.16 0.00 0.00 32.46 31.15 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 -0.78 1.03 -0.09 0.55 2.01 -0.93 -1.17 115.64 116.27 2qdk s THR 88 Ca 0.00 -0.45 0.01 0.00 0.31 0.00 0.00 61.69 61.57 2qdk s THR 88 Cb 0.00 -0.94 0.02 0.00 0.01 0.00 0.00 72.50 71.59 2qdk s THR 88 CO 0.00 0.32 -0.12 -0.36 -0.69 0.00 0.00 174.62 173.78 2qdk s PHE 89 N 0.49 1.56 -0.29 4.92 0.40 0.12 -1.15 117.98 124.03 2qdk s PHE 89 Ca -0.10 -0.66 0.01 0.00 -0.60 0.00 0.00 56.93 55.58 2qdk s PHE 89 Cb -0.13 -1.18 0.06 0.00 0.51 0.00 0.00 43.02 42.28 2qdk s PHE 89 CO 0.02 -0.37 -0.04 -0.51 0.70 0.00 0.00 175.22 175.02 2qdk s LEU 90 N 0.98 3.78 0.17 -0.37 1.43 -0.14 -1.48 118.68 123.05 2qdk s LEU 90 Ca -0.08 -1.42 -0.30 0.00 -1.03 0.00 0.00 54.13 51.30 2qdk s LEU 90 Cb -0.15 -1.63 -0.07 0.00 0.03 0.00 0.00 46.19 44.37 2qdk s LEU 90 CO -0.00 -0.24 1.02 -0.60 0.23 0.00 0.00 176.35 176.76 2qdk s ARG 91 N 1.15 4.68 -0.14 1.70 3.52 -0.25 -0.99 118.95 128.62 2qdk s ARG 91 Ca -0.06 1.58 0.00 0.00 -0.13 0.00 0.00 55.73 57.13 2qdk s ARG 91 Cb -0.20 -3.31 0.02 0.00 -1.56 0.00 0.00 34.95 29.90 2qdk s ARG 91 CO -0.04 0.21 -0.14 -1.50 -0.81 0.00 0.00 175.30 173.02 2qdk s ILE 92 N -0.35 1.57 0.34 4.11 1.10 -1.21 -1.75 121.20 125.01 2qdk s ILE 92 Ca 0.47 -0.63 0.03 0.00 -0.51 0.00 0.00 60.65 60.01 2qdk s ILE 92 Cb -0.27 -1.47 -0.05 0.00 0.15 0.00 0.00 42.46 40.83 2qdk s ILE 92 CO 0.33 0.46 0.09 -0.83 -2.11 0.00 0.00 174.94 172.87 2qdk s GLY 93 N 1.43 2.18 0.09 1.50 0.00 -0.72 -4.11 107.32 107.69 2qdk s GLY 93 Ca 0.04 -1.77 0.03 0.00 0.00 0.00 0.00 44.72 43.02 2qdk s GLY 93 CO -0.10 -1.78 0.08 -0.51 0.00 0.00 0.00 173.10 170.80 2qdk s THR 94 N -3.36 4.48 0.03 0.90 -4.23 -1.26 -1.53 115.64 110.67 2qdk s THR 94 Ca 0.33 -0.83 -0.23 0.00 -1.18 0.00 0.00 61.69 59.77 2qdk s THR 94 Cb 0.07 -3.18 0.05 0.00 1.34 0.00 0.00 72.50 70.78 2qdk s THR 94 CO 0.15 0.09 0.54 0.28 -0.54 0.00 0.00 174.62 175.14 2qdk s THR 95 N -1.44 0.03 0.00 3.99 -1.32 0.16 -4.85 115.64 112.21 2qdk s THR 95 Ca 0.29 -0.21 0.00 0.00 -1.21 0.00 0.00 61.69 60.57 2qdk s THR 95 Cb -0.12 -0.96 0.00 0.00 -1.51 0.00 0.00 72.50 69.92 2qdk s THR 95 CO 0.22 -0.11 0.00 0.61 -2.21 0.00 0.00 174.62 173.12 2qdk n GLY 96 N 0.53 0.24 3.34 6.08 0.00 -1.26 0.11 105.19 114.22 2qdk n GLY 96 Ca -0.19 -1.79 -0.12 0.00 0.00 0.00 0.00 46.02 43.93 2qdk n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qdk s ALA 97 N -3.25 -1.06 -0.40 4.61 0.00 -0.79 -4.64 121.76 116.23 2qdk s ALA 97 Ca 0.00 0.24 0.03 0.00 0.00 0.00 0.00 51.96 52.23 2qdk s ALA 97 Cb 0.00 0.51 0.05 0.00 0.00 0.00 0.00 23.12 23.67 2qdk s ALA 97 CO 0.00 -0.55 0.74 0.44 0.00 0.00 0.00 175.76 176.39 2qdk n ILE 98 N 0.17 0.28 -4.11 0.00 -5.35 -0.13 -1.26 119.36 108.97 2qdk n ILE 98 Ca -0.17 -0.64 -0.35 0.00 -0.27 0.00 0.00 62.75 61.32 2qdk n ILE 98 Cb 0.62 0.91 -0.10 0.00 -1.74 0.00 0.00 39.64 39.33 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 -0.49 3.73 0.54 6.28 -1.52 -1.24 -4.80 119.66 122.16 2qdk s GLN 99 Ca 0.05 -0.36 0.23 0.00 -1.95 0.00 0.00 55.36 53.33 2qdk s GLN 99 Cb 0.03 -3.10 1.39 0.00 -0.22 0.00 0.00 33.01 31.11 2qdk s GLN 99 CO 0.05 0.38 2.07 -1.00 -0.25 0.00 0.00 175.29 176.53 2qdk h PRO 100 N 6.30 0.00 -0.01 2.91 0.13 -1.93 -2.05 132.00 137.34 2qdk h PRO 100 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 2qdk h PRO 100 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2qdk h PRO 100 CO 0.66 0.00 -0.21 -2.39 -0.23 0.00 0.00 178.00 175.83 2qdk n HIS 101 N -4.35 0.00 -2.96 1.56 1.44 -1.26 -4.81 115.22 104.83 2qdk n HIS 101 Ca 0.04 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.33 2qdk n HIS 101 Cb 0.38 -0.10 -0.05 0.00 0.12 0.00 0.00 29.99 30.34 2qdk n HIS 101 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 2qdk s ILE 102 N -2.41 4.72 0.33 0.61 1.01 -0.77 -5.03 121.20 119.65 2qdk s ILE 102 Ca 0.27 0.81 -0.03 0.00 0.00 0.00 0.00 60.65 61.70 2qdk s ILE 102 Cb 0.20 -4.22 -0.04 0.00 0.01 0.00 0.00 42.46 38.40 2qdk s ILE 102 CO 0.49 -0.47 0.58 0.20 0.00 0.00 0.00 174.94 175.73 2qdk s ASN 103 N 1.89 6.38 0.36 3.58 0.01 -1.26 -4.87 114.94 121.02 2qdk s ASN 103 Ca 0.31 0.65 -0.28 0.00 -0.71 0.00 0.00 52.86 52.83 2qdk s ASN 103 Cb -0.13 -2.12 -0.12 0.00 0.41 0.00 0.00 41.25 39.30 2qdk s ASN 103 CO 0.18 -0.27 1.41 0.52 -1.51 0.00 0.00 177.10 177.43 2qdk n VAL 104 N -1.34 1.99 0.00 1.60 0.31 -1.26 -1.63 118.33 118.00 2qdk n VAL 104 Ca -0.02 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.81 2qdk n VAL 104 Cb 0.55 -1.81 0.00 0.00 -0.91 0.00 0.00 33.84 31.67 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 0.59 2.57 3.79 2.92 0.00 -0.76 -5.02 105.19 109.28 2qdk n GLY 105 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.53 5.50 -0.08 1.61 -0.00 -0.65 -4.75 116.67 116.78 2qdk s ASP 106 Ca 0.00 1.86 0.03 0.00 -0.00 0.00 0.00 52.55 54.44 2qdk s ASP 106 Cb 0.00 -2.54 -0.01 0.00 -0.00 0.00 0.00 42.92 40.37 2qdk s ASP 106 CO 0.00 -1.36 -0.18 -0.69 -0.00 0.00 0.00 175.17 172.94 2qdk s VAL 107 N -2.47 2.62 -0.15 -1.27 1.01 -0.68 -0.98 120.40 118.48 2qdk s VAL 107 Ca 0.64 -0.85 -0.05 0.00 0.00 0.00 0.00 61.98 61.73 2qdk s VAL 107 Cb -0.17 -2.03 -0.03 0.00 0.00 0.00 0.00 36.38 34.14 2qdk s VAL 107 CO 0.40 0.56 -0.00 -0.76 0.00 0.00 0.00 175.10 175.30 2qdk s LEU 108 N -0.06 3.47 -0.15 3.92 1.43 0.15 -1.40 118.68 126.03 2qdk s LEU 108 Ca -0.04 -0.03 -0.02 0.00 -1.03 0.00 0.00 54.13 53.01 2qdk s LEU 108 Cb -0.14 -1.84 -0.02 0.00 0.03 0.00 0.00 46.19 44.21 2qdk s LEU 108 CO 0.04 0.20 -0.07 -0.69 0.23 0.00 0.00 176.35 176.06 2qdk s VAL 109 N 0.19 3.53 -0.26 -1.59 1.01 0.36 -0.82 120.40 122.82 2qdk s VAL 109 Ca 0.00 -0.48 -0.12 0.00 0.00 0.00 0.00 61.98 61.38 2qdk s VAL 109 Cb -0.13 -2.53 -0.05 0.00 0.00 0.00 0.00 36.38 33.67 2qdk s VAL 109 CO 0.02 0.50 0.25 -0.89 0.00 0.00 0.00 175.10 174.98 2qdk s THR 110 N 0.48 5.28 0.02 3.92 2.01 -0.83 -1.70 115.64 124.81 2qdk s THR 110 Ca -0.06 0.34 -0.00 0.00 0.31 0.00 0.00 61.69 62.28 2qdk s THR 110 Cb -0.15 -3.59 -0.26 0.00 0.01 0.00 0.00 72.50 68.51 2qdk s THR 110 CO 0.03 0.26 0.90 0.71 -0.69 0.00 0.00 174.62 175.83 2qdk h THR 111 N 5.23 1.20 -2.18 -0.82 1.35 -1.35 -3.41 112.91 112.93 2qdk h THR 111 Ca -0.35 -2.88 0.14 0.00 -0.55 0.00 0.00 66.41 62.77 2qdk h THR 111 Cb 1.17 2.74 -0.15 0.00 -1.73 0.00 0.00 68.15 70.19 2qdk h THR 111 CO 0.62 0.81 0.53 0.00 -0.25 0.00 0.00 175.52 177.23 2qdk s ALA 112 N -2.63 -1.84 0.07 6.62 0.00 -1.26 -0.73 121.76 122.00 2qdk s ALA 112 Ca -0.07 0.97 0.09 0.00 0.00 0.00 0.00 51.96 52.95 2qdk s ALA 112 Cb 0.07 0.38 -0.03 0.00 0.00 0.00 0.00 23.12 23.55 2qdk s ALA 112 CO 0.85 -0.73 -0.26 -1.12 0.00 0.00 0.00 175.76 174.50 2qdk s SER 113 N -2.51 3.09 0.01 0.00 0.01 -0.11 -1.94 113.70 112.25 2qdk s SER 113 Ca 0.06 -0.63 -0.30 0.00 1.31 0.00 0.00 55.95 56.39 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 -0.07 0.22 1.38 -0.69 0.41 0.00 0.00 173.24 174.49 2qdk s VAL 114 N -0.89 3.72 -1.20 3.43 1.01 0.13 -4.38 120.40 122.21 2qdk s VAL 114 Ca 0.12 1.12 -0.15 0.00 0.00 0.00 0.00 61.98 63.06 2qdk s VAL 114 Cb -0.10 -3.72 0.14 0.00 0.00 0.00 0.00 36.38 32.70 2qdk s VAL 114 CO 0.03 0.01 1.49 -0.13 0.00 0.00 0.00 175.10 176.50 2qdk s ARG 115 N 2.22 4.01 -0.44 2.72 0.52 -1.26 -1.53 118.95 125.19 2qdk s ARG 115 Ca 0.63 -2.33 0.03 0.00 -0.52 0.00 0.00 55.73 53.55 2qdk s ARG 115 Cb -0.31 -5.18 0.63 0.00 0.52 0.00 0.00 34.95 30.60 2qdk s ARG 115 CO 0.27 -1.90 1.89 1.28 0.02 0.00 0.00 175.30 176.85 2qdk n LEU 116 N 6.50 6.65 0.00 2.53 4.77 -0.18 -4.93 117.00 132.35 2qdk n LEU 116 Ca 0.39 -3.56 -0.16 0.00 -0.03 0.00 0.00 56.01 52.64 2qdk n LEU 116 Cb 0.44 -0.84 -0.03 0.00 -2.33 0.00 0.00 43.42 40.67 2qdk n LEU 116 CO 0.65 1.06 -0.10 -0.90 -1.33 0.00 0.00 177.39 176.77 2qdk n ASP 117 N -1.06 2.60 -0.03 -1.43 3.85 -1.18 -1.90 116.55 117.40 2qdk n ASP 117 Ca 0.58 -2.13 -0.03 0.00 -0.71 0.00 0.00 54.79 52.49 2qdk n ASP 117 Cb 1.56 0.15 -0.03 0.00 -1.35 0.00 0.00 41.12 41.45 2qdk n ASP 117 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2qdk n GLY 118 N 1.80 -0.17 0.22 6.12 0.00 -1.26 -4.74 105.19 107.15 2qdk n GLY 118 Ca -0.09 -0.06 0.05 0.00 0.00 0.00 0.00 46.02 45.92 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 0.13 1.55 -0.31 4.61 0.00 -1.98 -2.59 119.26 120.67 2qdk h ALA 119 Ca -0.13 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 2qdk h ALA 119 Cb 1.26 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 2qdk h ALA 119 CO -0.01 0.29 0.08 0.66 0.00 0.00 0.00 179.25 180.27 2qdk h SER 120 N 0.00 0.41 0.42 0.00 4.64 -1.85 -0.72 113.55 116.45 2qdk h SER 120 Ca -0.00 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 2qdk h SER 120 Cb 0.43 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 2qdk h SER 120 CO 0.03 0.41 0.00 -0.07 -0.87 0.00 0.00 176.83 176.33 2qdk h LEU 121 N 0.44 0.00 -0.41 5.97 3.38 -1.59 -0.92 115.31 122.18 2qdk h LEU 121 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2qdk h LEU 121 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2qdk h LEU 121 CO -0.00 0.00 -0.01 1.41 0.09 0.00 0.00 178.44 179.92 2qdk n HIS 122 N -2.34 0.00 0.00 1.13 8.25 -0.28 -4.00 115.22 117.98 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 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.24 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 -0.53 0.00 -3.55 4.41 3.01 -0.42 -5.09 117.46 115.29 2qdk n PHE 123 Ca 0.21 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.50 2qdk n PHE 123 Cb 0.23 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.63 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 -1.98 -1.63 0.85 4.37 0.00 -0.77 -4.99 121.76 117.61 2qdk s ALA 124 Ca 0.00 1.18 -0.11 0.00 0.00 0.00 0.00 51.96 53.03 2qdk s ALA 124 Cb 0.00 0.02 0.10 0.00 0.00 0.00 0.00 23.12 23.24 2qdk s ALA 124 CO 0.00 -0.36 1.09 -1.25 0.00 0.00 0.00 175.76 175.25 2qdk s PRO 125 N -1.22 1.61 0.52 0.00 0.04 -1.26 -4.01 135.00 130.67 2qdk s PRO 125 Ca -0.11 1.04 0.21 0.00 0.04 0.00 0.00 61.00 62.18 2qdk s PRO 125 Cb -0.01 -1.83 1.32 0.00 0.04 0.00 0.00 34.50 34.02 2qdk s PRO 125 CO 0.09 -2.06 2.06 1.98 0.04 0.00 0.00 177.00 179.11 2qdk h MET 126 N -1.43 0.03 0.00 4.56 4.05 -1.94 0.07 114.93 120.27 2qdk h MET 126 Ca -0.47 -0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 58.95 2qdk h MET 126 Cb 1.26 -0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 32.05 2qdk h MET 126 CO 0.52 0.02 -0.02 1.05 0.23 0.00 0.00 176.91 178.70 2qdk h GLU 127 N 0.03 0.00 -6.72 0.39 9.09 -2.03 -3.43 114.58 111.91 2qdk h GLU 127 Ca 0.15 0.00 -0.52 0.00 0.05 0.00 0.00 59.36 59.05 2qdk h GLU 127 Cb 0.57 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 27.69 2qdk h GLU 127 CO -0.01 0.02 0.53 0.12 0.05 0.00 0.00 179.01 179.73 2qdk s PHE 128 N -4.17 3.46 0.01 2.06 2.19 0.01 -5.01 117.98 116.54 2qdk s PHE 128 Ca -0.04 1.52 -0.28 0.00 0.33 0.00 0.00 56.93 58.46 2qdk s PHE 128 Cb 0.13 -3.39 -0.04 0.00 -1.31 0.00 0.00 43.02 38.41 2qdk s PHE 128 CO 0.49 -1.01 0.90 -1.25 1.83 0.00 0.00 175.22 176.18 2qdk s PRO 129 N -0.68 4.56 -1.37 10.12 0.04 -1.26 -4.95 135.00 141.46 2qdk s PRO 129 Ca 0.50 1.28 -0.16 0.00 0.04 0.00 0.00 61.00 62.66 2qdk s PRO 129 Cb -0.33 -3.43 0.03 0.00 0.04 0.00 0.00 34.50 30.82 2qdk s PRO 129 CO 0.39 0.06 2.07 0.00 0.04 0.00 0.00 177.00 179.56 2qdk n ALA 130 N 3.53 4.79 -2.75 8.56 0.00 -1.26 -4.77 120.51 128.61 2qdk n ALA 130 Ca 0.03 -3.82 -0.35 0.00 0.00 0.00 0.00 53.44 49.30 2qdk n ALA 130 Cb 0.51 -3.56 -0.08 0.00 0.00 0.00 0.00 19.45 16.31 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 3.77 4.70 0.57 0.00 0.11 -1.26 -0.93 120.40 127.35 2qdk s VAL 131 Ca 0.50 -0.14 -0.14 0.00 -2.93 0.00 0.00 61.98 59.27 2qdk s VAL 131 Cb 0.11 -3.02 -0.06 0.00 -1.53 0.00 0.00 36.38 31.89 2qdk s VAL 131 CO -0.03 0.58 1.01 0.00 -3.33 0.00 0.00 175.10 173.34 2qdk s ALA 132 N -0.96 3.03 0.25 1.54 0.00 0.09 -4.65 121.76 121.06 2qdk s ALA 132 Ca 0.15 0.09 -0.30 0.00 0.00 0.00 0.00 51.96 51.90 2qdk s ALA 132 Cb -0.12 -3.12 -0.10 0.00 0.00 0.00 0.00 23.12 19.79 2qdk s ALA 132 CO 0.04 -0.52 1.44 0.34 0.00 0.00 0.00 175.76 177.07 2qdk s ASP 133 N -3.52 6.64 0.17 0.00 -1.08 0.00 -4.95 116.67 113.94 2qdk s ASP 133 Ca 0.58 2.68 -0.13 0.00 -0.52 0.00 0.00 52.55 55.16 2qdk s ASP 133 Cb -0.11 -2.62 0.07 0.00 -1.46 0.00 0.00 42.92 38.79 2qdk s ASP 133 CO 0.42 -0.71 1.77 0.15 0.52 0.00 0.00 175.17 177.32 2qdk h PHE 134 N 4.99 0.78 -0.64 -5.34 3.57 -1.96 -1.77 116.94 116.58 2qdk h PHE 134 Ca -0.46 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 60.99 2qdk h PHE 134 Cb 1.22 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 39.68 2qdk h PHE 134 CO 0.60 0.58 0.31 0.00 -2.23 0.00 0.00 178.31 177.58 2qdk h ALA 135 N 1.12 0.82 -0.24 2.41 0.00 -1.96 0.34 119.26 121.75 2qdk h ALA 135 Ca 0.20 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2qdk h ALA 135 Cb 0.07 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2qdk h ALA 135 CO -0.03 0.38 0.07 0.00 0.00 0.00 0.00 179.25 179.67 2qdk h THR 137 N 0.22 1.24 -0.46 0.00 2.02 -1.20 -0.73 112.91 114.01 2qdk h THR 137 Ca 0.08 -0.72 0.02 0.00 0.77 0.00 0.00 66.41 66.55 2qdk h THR 137 Cb 0.25 0.43 -0.03 0.00 -1.74 0.00 0.00 68.15 67.05 2qdk h THR 137 CO -0.00 0.29 0.28 0.74 0.37 0.00 0.00 175.52 177.20 2qdk h THR 138 N 0.97 1.07 -0.76 3.16 2.02 -0.84 -0.33 112.91 118.21 2qdk h THR 138 Ca 0.23 -0.20 -0.03 0.00 0.77 0.00 0.00 66.41 67.18 2qdk h THR 138 Cb 0.17 0.45 -0.03 0.00 -1.74 0.00 0.00 68.15 67.00 2qdk h THR 138 CO -0.02 0.10 0.34 0.00 0.37 0.00 0.00 175.52 176.31 2qdk h ALA 139 N 1.19 1.16 -0.26 6.16 0.00 -0.73 0.57 119.26 127.35 2qdk h ALA 139 Ca 0.18 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 2qdk h ALA 139 Cb -0.02 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 2qdk h ALA 139 CO -0.07 0.62 -0.18 -0.07 0.00 0.00 0.00 179.25 179.55 2qdk h LEU 140 N 1.09 0.62 -0.42 0.00 3.38 -0.89 -1.19 115.31 117.91 2qdk h LEU 140 Ca 0.26 -0.44 -0.04 0.00 0.09 0.00 0.00 57.88 57.75 2qdk h LEU 140 Cb 0.15 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 2qdk h LEU 140 CO -0.03 0.93 0.11 0.58 0.09 0.00 0.00 178.44 180.12 2qdk h VAL 141 N 0.32 1.23 -0.42 1.22 2.07 -0.77 -1.38 116.25 118.52 2qdk h VAL 141 Ca 0.05 -0.77 -0.06 0.00 0.82 0.00 0.00 66.70 66.74 2qdk h VAL 141 Cb 0.72 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 2qdk h VAL 141 CO 0.05 0.27 0.01 -0.33 0.02 0.00 0.00 177.57 177.59 2qdk h GLU 142 N 0.53 0.66 -0.15 1.57 4.39 -0.88 -1.52 114.58 119.19 2qdk h GLU 142 Ca 0.13 -0.16 -0.13 0.00 0.34 0.00 0.00 59.36 59.54 2qdk h GLU 142 Cb 0.30 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 2qdk h GLU 142 CO -0.00 0.68 -0.46 0.00 -1.16 0.00 0.00 179.01 178.07 2qdk h ALA 143 N 1.38 0.93 -0.34 3.43 0.00 -0.97 -1.57 119.26 122.13 2qdk h ALA 143 Ca 0.13 -0.46 -0.14 0.00 0.00 0.00 0.00 54.91 54.44 2qdk h ALA 143 Cb 0.38 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2qdk h ALA 143 CO 0.01 0.65 -0.36 0.00 0.00 0.00 0.00 179.25 179.55 2qdk h ALA 144 N 1.21 0.73 -0.78 0.00 0.00 -0.83 -2.80 119.26 116.78 2qdk h ALA 144 Ca 0.02 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 2qdk h ALA 144 Cb 0.93 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 2qdk h ALA 144 CO 0.08 0.66 0.44 0.87 0.00 0.00 0.00 179.25 181.30 2qdk h LYS 145 N 0.65 1.08 -1.01 0.00 1.57 -1.13 -1.82 116.57 115.91 2qdk h LYS 145 Ca 0.06 -0.12 0.11 0.00 -1.87 0.00 0.00 60.65 58.83 2qdk h LYS 145 Cb 0.90 -0.22 -0.08 0.00 0.08 0.00 0.00 32.23 32.91 2qdk h LYS 145 CO 0.08 0.79 0.64 1.03 -0.57 0.00 0.00 179.45 181.42 2qdk h SER 146 N 1.08 0.95 -0.41 0.86 0.87 -1.02 -1.58 113.55 114.29 2qdk h SER 146 Ca 0.28 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.88 2qdk h SER 146 Cb 0.01 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 61.82 2qdk h SER 146 CO -0.05 0.52 0.00 2.30 -0.53 0.00 0.00 176.83 179.07 2qdk n ILE 147 N -4.60 0.60 -1.56 2.23 -5.35 -1.14 -4.97 119.36 104.57 2qdk n ILE 147 Ca 0.18 -0.80 -0.10 0.00 -0.27 0.00 0.00 62.75 61.76 2qdk n ILE 147 Cb 0.33 0.87 -0.03 0.00 -1.74 0.00 0.00 39.64 39.07 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 1.35 0.82 3.78 3.28 0.00 -0.60 -5.00 105.19 108.81 2qdk n GLY 148 Ca 0.18 -0.53 -0.34 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.42 2.61 -0.35 4.61 0.00 -0.75 -4.98 121.76 120.48 2qdk s ALA 149 Ca 0.00 0.65 -0.24 0.00 0.00 0.00 0.00 51.96 52.38 2qdk s ALA 149 Cb 0.00 -3.32 0.01 0.00 0.00 0.00 0.00 23.12 19.80 2qdk s ALA 149 CO 0.00 -0.97 0.80 0.95 0.00 0.00 0.00 175.76 176.54 2qdk s THR 150 N -2.09 4.73 -0.05 0.00 -4.23 -1.26 -4.73 115.64 108.00 2qdk s THR 150 Ca 0.69 1.00 0.05 0.00 -1.18 0.00 0.00 61.69 62.25 2qdk s THR 150 Cb -0.21 -4.21 -0.02 0.00 1.34 0.00 0.00 72.50 69.40 2qdk s THR 150 CO 0.34 -0.40 -0.19 -0.89 -0.54 0.00 0.00 174.62 172.94 2qdk s THR 151 N 3.11 2.63 -0.07 3.99 2.01 -1.26 -1.69 115.64 124.36 2qdk s THR 151 Ca 0.32 -0.87 0.03 0.00 0.31 0.00 0.00 61.69 61.49 2qdk s THR 151 Cb -0.13 -2.00 -0.02 0.00 0.01 0.00 0.00 72.50 70.36 2qdk s THR 151 CO 0.16 0.58 -0.18 -1.00 -0.69 0.00 0.00 174.62 173.49 2qdk s HIS 152 N -0.46 2.64 -0.08 4.92 3.76 -0.49 -4.98 115.29 120.59 2qdk s HIS 152 Ca 0.05 -0.50 0.05 0.00 -0.15 0.00 0.00 55.06 54.51 2qdk s HIS 152 Cb -0.12 -1.68 -0.00 0.00 1.11 0.00 0.00 32.58 31.89 2qdk s HIS 152 CO 0.01 -0.07 -0.24 0.08 -0.85 0.00 0.00 174.74 173.67 2qdk s VAL 153 N -0.22 2.02 -4.68 -0.90 1.01 -1.26 -0.49 120.40 115.89 2qdk s VAL 153 Ca -0.00 -1.02 0.00 0.00 0.00 0.00 0.00 61.98 60.96 2qdk s VAL 153 Cb -0.13 -1.74 0.00 0.00 0.00 0.00 0.00 36.38 34.51 2qdk s VAL 153 CO 0.03 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.30 2qdk n GLY 154 N 3.34 -0.51 3.81 4.51 0.00 -0.69 -4.97 105.19 110.68 2qdk n GLY 154 Ca -0.19 -0.83 -0.38 0.00 0.00 0.00 0.00 46.02 44.63 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 -3.76 5.12 0.05 1.61 1.01 -1.26 -0.87 120.40 122.29 2qdk s VAL 155 Ca 0.00 0.78 0.07 0.00 0.00 0.00 0.00 61.98 62.83 2qdk s VAL 155 Cb 0.00 -3.70 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 2qdk s VAL 155 CO 0.00 0.52 -0.17 -0.89 0.00 0.00 0.00 175.10 174.56 2qdk s THR 156 N -0.62 2.84 -0.25 3.92 2.01 -0.82 -1.09 115.64 121.63 2qdk s THR 156 Ca 0.23 -1.20 -0.15 0.00 0.31 0.00 0.00 61.69 60.87 2qdk s THR 156 Cb -0.16 -2.21 -0.04 0.00 0.01 0.00 0.00 72.50 70.10 2qdk s THR 156 CO 0.11 0.31 0.36 0.00 -0.69 0.00 0.00 174.62 174.72 2qdk s ALA 157 N -0.96 3.57 -0.33 7.40 0.00 0.05 0.17 121.76 131.66 2qdk s ALA 157 Ca 0.15 -0.74 -0.06 0.00 0.00 0.00 0.00 51.96 51.31 2qdk s ALA 157 Cb -0.11 -2.66 0.04 0.00 0.00 0.00 0.00 23.12 20.39 2qdk s ALA 157 CO 0.06 -0.53 0.09 0.45 0.00 0.00 0.00 175.76 175.83 2qdk s SER 158 N 1.44 5.26 -0.02 0.00 0.15 -0.58 -1.70 113.70 118.25 2qdk s SER 158 Ca 0.15 -1.13 0.01 0.00 0.70 0.00 0.00 55.95 55.68 2qdk s SER 158 Cb -0.15 -1.85 -0.03 0.00 -1.71 0.00 0.00 66.02 62.27 2qdk s SER 158 CO 0.09 -0.31 -0.01 -0.55 1.20 0.00 0.00 173.24 173.66 2qdk s SER 159 N 1.39 5.06 0.00 5.45 0.15 0.01 -1.01 113.70 124.75 2qdk s SER 159 Ca -0.02 0.01 0.30 0.00 0.70 0.00 0.00 55.95 56.94 2qdk s SER 159 Cb -0.19 -1.33 1.66 0.00 -1.71 0.00 0.00 66.02 64.45 2qdk s SER 159 CO 0.02 0.31 2.09 0.47 1.20 0.00 0.00 173.24 177.34 2qdk n ASP 160 N 1.64 0.00 -4.11 5.45 10.43 -0.80 -4.38 116.55 124.78 2qdk n ASP 160 Ca -0.16 -0.54 -0.12 0.00 2.57 0.00 0.00 54.79 56.54 2qdk n ASP 160 Cb 0.53 -0.14 -0.11 0.00 1.84 0.00 0.00 41.12 43.24 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 -2.29 0.60 0.03 -3.53 -4.23 -1.26 -5.03 115.64 99.93 2qdk s THR 161 Ca 0.37 -1.48 0.06 0.00 -1.18 0.00 0.00 61.69 59.46 2qdk s THR 161 Cb 0.20 -1.11 -0.24 0.00 1.34 0.00 0.00 72.50 72.70 2qdk s THR 161 CO 0.40 -0.62 0.95 0.15 -0.54 0.00 0.00 174.62 174.97 2qdk h PHE 162 N 3.78 0.13 0.00 3.99 3.04 -1.97 -3.38 116.94 122.52 2qdk h PHE 162 Ca -0.36 -0.09 0.00 0.00 3.98 0.00 0.00 57.97 61.50 2qdk h PHE 162 Cb 1.18 -0.01 0.00 0.00 2.56 0.00 0.00 35.95 39.69 2qdk h PHE 162 CO 0.62 1.11 0.00 0.66 -2.02 0.00 0.00 178.31 178.68 2qdk n TYR 163 N -3.28 0.00 0.13 0.41 4.02 -1.26 -4.26 117.16 112.92 2qdk n TYR 163 Ca -0.10 0.00 0.02 0.00 -0.01 0.00 0.00 57.90 57.81 2qdk n TYR 163 Cb 1.01 0.00 0.37 0.00 -0.02 0.00 0.00 39.34 40.69 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 0.20 0.00 -0.72 0.13 -1.88 -0.78 132.00 128.95 2qdk h PRO 164 Ca 0.00 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 2qdk h PRO 164 Cb 0.00 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.11 2qdk h PRO 164 CO 0.00 0.40 0.00 0.78 -0.23 0.00 0.00 178.00 178.95 2qdk h GLY 165 N 0.85 0.00 -2.77 1.56 0.00 -1.85 0.21 103.07 101.06 2qdk h GLY 165 Ca 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.35 2qdk h GLY 165 CO 0.03 0.00 0.02 -1.06 0.00 0.00 0.00 176.54 175.53 2qdk n GLN 166 N -3.08 4.01 -3.96 4.80 6.02 -0.80 -4.95 117.38 119.42 2qdk n GLN 166 Ca 0.00 -3.04 -0.26 0.00 -0.01 0.00 0.00 57.00 53.69 2qdk n GLN 166 Cb 0.27 -2.10 -0.02 0.00 1.02 0.00 0.00 30.24 29.41 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 0.09 -3.08 -3.42 -1.09 2.13 0.06 -4.92 120.64 110.41 2qdk n GLU 167 Ca 0.26 0.39 -0.37 0.00 0.66 0.00 0.00 57.16 58.10 2qdk n GLU 167 Cb 1.09 -4.45 -0.06 0.00 0.27 0.00 0.00 31.44 28.29 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 -6.58 4.25 -0.01 5.31 0.52 -0.37 -4.97 118.95 117.11 2qdk s ARG 168 Ca 0.02 0.31 0.14 0.00 -0.52 0.00 0.00 55.73 55.68 2qdk s ARG 168 Cb -0.01 -3.41 -0.18 0.00 0.52 0.00 0.00 34.95 31.88 2qdk s ARG 168 CO 0.89 0.25 0.48 0.66 0.02 0.00 0.00 175.30 177.61 2qdk n TYR 169 N 3.41 0.00 -1.49 -0.53 4.02 -1.26 -4.39 117.16 116.92 2qdk n TYR 169 Ca -0.10 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.38 2qdk n TYR 169 Cb 0.52 -0.13 -0.02 0.00 -0.02 0.00 0.00 39.34 39.69 2qdk n TYR 169 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 2qdk n ASP 170 N -1.59 4.30 -3.99 7.72 5.75 -1.26 -4.17 116.55 123.31 2qdk n ASP 170 Ca 0.01 -2.74 -0.13 0.00 -0.01 0.00 0.00 54.79 51.91 2qdk n ASP 170 Cb 0.28 -1.49 -0.09 0.00 -1.03 0.00 0.00 41.12 38.78 2qdk n ASP 170 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 2qdk s THR 171 N 3.47 0.00 0.16 2.12 -4.23 -1.26 -5.02 115.64 110.87 2qdk s THR 171 Ca 0.52 -1.95 -0.19 0.00 -1.18 0.00 0.00 61.69 58.89 2qdk s THR 171 Cb 0.14 -2.49 0.08 0.00 1.34 0.00 0.00 72.50 71.57 2qdk s THR 171 CO -0.04 0.00 1.65 0.22 -0.54 0.00 0.00 174.62 175.92 2qdk h TYR 172 N 2.49 -0.36 0.00 3.99 5.03 -1.99 -2.93 116.97 123.20 2qdk h TYR 172 Ca -0.33 0.04 -0.21 0.00 2.58 0.00 0.00 58.73 60.81 2qdk h TYR 172 Cb 1.25 0.21 -0.04 0.00 1.55 0.00 0.00 36.73 39.70 2qdk h TYR 172 CO 0.65 -0.23 -1.33 0.66 -1.32 0.00 0.00 178.16 176.60 2qdk h SER 173 N -0.09 0.00 0.00 -2.11 4.64 -1.97 -3.47 113.55 110.55 2qdk h SER 173 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 2qdk h SER 173 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 2qdk h SER 173 CO -0.41 0.80 0.00 0.61 -0.87 0.00 0.00 176.83 176.96 2qdk n GLY 174 N 1.42 0.58 3.89 -0.77 0.00 -1.11 -5.00 105.19 104.21 2qdk n GLY 174 Ca -0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.38 3.43 -0.07 1.61 3.52 -1.26 -4.87 118.95 120.93 2qdk s ARG 175 Ca 0.00 -0.23 0.02 0.00 -0.13 0.00 0.00 55.73 55.39 2qdk s ARG 175 Cb 0.00 -3.14 0.02 0.00 -1.56 0.00 0.00 34.95 30.27 2qdk s ARG 175 CO 0.00 0.73 -0.11 0.08 -0.81 0.00 0.00 175.30 175.19 2qdk s VAL 176 N -1.17 1.07 0.59 7.11 1.01 -1.26 -4.89 120.40 122.85 2qdk s VAL 176 Ca 0.21 -0.42 -0.19 0.00 0.00 0.00 0.00 61.98 61.58 2qdk s VAL 176 Cb -0.12 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.22 2qdk s VAL 176 CO 0.11 0.35 1.20 0.54 0.00 0.00 0.00 175.10 177.30 2qdk s VAL 177 N 0.85 2.68 0.30 2.92 0.11 -1.26 -4.56 120.40 121.45 2qdk s VAL 177 Ca -0.11 0.42 0.01 0.00 -2.93 0.00 0.00 61.98 59.37 2qdk s VAL 177 Cb -0.15 -3.16 0.38 0.00 -1.53 0.00 0.00 36.38 31.92 2qdk s VAL 177 CO 0.01 -0.10 1.59 -0.09 -3.33 0.00 0.00 175.10 173.19 2qdk h ARG 178 N 0.87 0.04 -0.44 1.54 2.43 -2.00 0.17 114.38 117.00 2qdk h ARG 178 Ca -0.50 -0.00 0.05 0.00 -0.81 0.00 0.00 59.98 58.72 2qdk h ARG 178 Cb 1.29 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.81 2qdk h ARG 178 CO 0.55 0.03 0.29 -0.09 -1.51 0.00 0.00 179.97 179.24 2qdk h ARG 179 N 0.04 0.36 -0.01 0.20 2.43 -2.02 -2.72 114.38 112.66 2qdk h ARG 179 Ca 0.57 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.72 2qdk h ARG 179 Cb 1.17 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.64 2qdk h ARG 179 CO -0.85 0.24 -0.57 1.19 -1.51 0.00 0.00 179.97 178.47 2qdk n PHE 180 N -4.48 0.00 -2.11 2.20 3.01 0.55 -4.76 117.46 111.88 2qdk n PHE 180 Ca 0.05 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.09 2qdk n PHE 180 Cb 0.23 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.68 2qdk n PHE 180 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 2qdk s LYS 181 N -2.54 4.25 0.00 -1.08 2.20 -0.91 -1.76 119.74 119.90 2qdk s LYS 181 Ca 0.16 2.10 0.00 0.00 -0.36 0.00 0.00 55.97 57.87 2qdk s LYS 181 Cb 0.17 -3.60 0.00 0.00 -1.51 0.00 0.00 37.83 32.90 2qdk s LYS 181 CO 0.62 -0.64 0.00 0.41 -0.36 0.00 0.00 175.35 175.37 2qdk n GLY 182 N 3.79 0.71 0.17 5.54 0.00 -1.26 -4.93 105.19 109.20 2qdk n GLY 182 Ca 0.14 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.09 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 0.34 -0.43 1.61 4.64 -1.64 -2.95 113.55 115.11 2qdk h SER 183 Ca 0.00 -0.21 -0.02 0.00 -0.47 0.00 0.00 61.79 61.09 2qdk h SER 183 Cb 0.05 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.02 2qdk h SER 183 CO 0.00 0.91 0.18 -0.03 -0.87 0.00 0.00 176.83 177.02 2qdk h MET 184 N 0.20 0.64 -0.86 4.77 -1.53 -1.92 -0.64 114.93 115.60 2qdk h MET 184 Ca -0.02 -0.11 0.00 0.00 -3.44 0.00 0.00 59.70 56.14 2qdk h MET 184 Cb 1.21 -0.11 -0.04 0.00 -0.55 0.00 0.00 31.60 32.11 2qdk h MET 184 CO 0.11 0.58 0.56 1.49 0.14 0.00 0.00 176.91 179.79 2qdk h GLU 185 N 0.56 1.15 -0.03 0.39 4.81 -1.96 -0.28 114.58 119.22 2qdk h GLU 185 Ca 0.15 -0.08 0.01 0.00 -0.13 0.00 0.00 59.36 59.31 2qdk h GLU 185 Cb 0.18 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 2qdk h GLU 185 CO -0.01 0.77 -0.04 0.93 -0.73 0.00 0.00 179.01 179.93 2qdk h GLU 186 N 1.18 -0.06 -0.68 1.92 5.08 -1.24 -1.08 114.58 119.70 2qdk h GLU 186 Ca 0.31 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.63 2qdk h GLU 186 Cb -0.11 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.12 2qdk h GLU 186 CO -0.07 -0.04 0.25 -1.49 -1.00 0.00 0.00 179.01 176.67 2qdk h TRP 187 N -0.06 1.03 -0.52 4.33 -0.00 -0.71 -2.24 115.95 117.77 2qdk h TRP 187 Ca 0.03 -0.08 -0.00 0.00 -0.00 0.00 0.00 58.89 58.84 2qdk h TRP 187 Cb 0.10 -0.31 -0.03 0.00 -0.00 0.00 0.00 29.16 28.92 2qdk h TRP 187 CO -0.13 0.80 0.31 1.96 -0.00 0.00 0.00 178.44 181.38 2qdk h GLN 188 N 0.99 0.72 0.00 0.49 4.20 -0.75 -1.57 115.11 119.18 2qdk h GLN 188 Ca 0.23 -0.07 -0.06 0.00 0.06 0.00 0.00 58.65 58.81 2qdk h GLN 188 Cb 0.22 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 2qdk h GLN 188 CO -0.02 0.53 -0.27 0.00 -0.67 0.00 0.00 178.83 178.40 2qdk h ALA 189 N 1.15 1.25 -0.01 3.87 0.00 -0.91 -1.65 119.26 122.96 2qdk h ALA 189 Ca 0.19 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2qdk h ALA 189 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2qdk h ALA 189 CO -0.03 0.34 -0.00 -1.33 0.00 0.00 0.00 179.25 178.22 2qdk n MET 190 N -3.78 1.29 -0.53 0.00 2.81 -0.85 -4.92 117.12 111.16 2qdk n MET 190 Ca -0.01 -0.43 0.00 0.00 -1.81 0.00 0.00 57.70 55.44 2qdk n MET 190 Cb 0.37 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.39 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 1.08 0.74 3.75 3.03 0.00 -0.62 -5.02 105.19 108.15 2qdk n GLY 191 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.27 2.29 0.04 1.61 1.01 -0.65 -4.66 120.40 117.77 2qdk s VAL 192 Ca 0.00 0.25 -0.12 0.00 0.00 0.00 0.00 61.98 62.11 2qdk s VAL 192 Cb 0.00 -3.16 -0.33 0.00 0.00 0.00 0.00 36.38 32.89 2qdk s VAL 192 CO 0.00 0.04 1.03 0.24 0.00 0.00 0.00 175.10 176.41 2qdk h MET 193 N 4.93 0.46 -2.33 2.72 0.00 -1.44 -3.42 114.93 115.86 2qdk h MET 193 Ca -0.47 -0.78 0.13 0.00 0.00 0.00 0.00 59.70 58.58 2qdk h MET 193 Cb 1.22 0.29 -0.13 0.00 0.00 0.00 0.00 31.60 32.98 2qdk h MET 193 CO 0.79 1.37 0.48 0.54 0.00 0.00 0.00 176.91 180.09 2qdk s ASN 194 N -7.44 -0.31 -0.02 1.22 4.22 -1.26 -0.95 114.94 110.39 2qdk s ASN 194 Ca -0.08 -0.13 -0.02 0.00 -2.14 0.00 0.00 52.86 50.49 2qdk s ASN 194 Cb 0.05 0.43 -0.04 0.00 1.28 0.00 0.00 41.25 42.97 2qdk s ASN 194 CO 0.93 -0.73 0.12 -0.31 -2.04 0.00 0.00 177.10 175.07 2qdk s TYR 195 N -3.20 3.40 0.11 1.54 2.02 -1.26 -0.77 117.35 119.20 2qdk s TYR 195 Ca 0.07 0.29 -0.03 0.00 -0.37 0.00 0.00 57.07 57.04 2qdk s TYR 195 Cb -0.01 -1.79 0.01 0.00 -0.40 0.00 0.00 41.96 39.77 2qdk s TYR 195 CO -0.05 0.60 0.19 -0.85 -1.57 0.00 0.00 175.55 173.87 2qdk n GLU 196 N 1.22 0.28 -0.02 -0.62 -0.00 -0.69 -4.53 120.64 116.29 2qdk n GLU 196 Ca -0.13 -0.76 0.01 0.00 -0.00 0.00 0.00 57.16 56.28 2qdk n GLU 196 Cb 0.53 0.83 0.01 0.00 -0.00 0.00 0.00 31.44 32.80 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 -0.17 1.99 0.00 3.44 2.81 -1.26 -0.81 117.12 123.12 2qdk n MET 197 Ca -0.01 -1.29 0.00 0.00 -1.81 0.00 0.00 57.70 54.59 2qdk n MET 197 Cb 0.18 -0.88 0.00 0.00 -0.71 0.00 0.00 33.22 31.80 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 -0.41 3.41 -0.01 0.03 4.71 -1.26 -3.14 120.64 123.96 2qdk n GLU 198 Ca 0.01 0.00 -0.05 0.00 -0.01 0.00 0.00 57.16 57.11 2qdk n GLU 198 Cb 0.36 -0.67 0.15 0.00 -1.01 0.00 0.00 31.44 30.27 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 0.57 -0.75 1.62 4.64 -1.94 -1.71 113.55 115.97 2qdk h SER 199 Ca 0.00 -0.21 0.04 0.00 -0.47 0.00 0.00 61.79 61.15 2qdk h SER 199 Cb 0.07 -0.16 -0.05 0.00 -0.31 0.00 0.00 62.40 61.95 2qdk h SER 199 CO 0.00 0.84 0.46 0.00 -0.87 0.00 0.00 176.83 177.26 2qdk h ALA 200 N 1.20 1.00 0.04 5.18 0.00 -1.87 0.26 119.26 125.06 2qdk h ALA 200 Ca 0.06 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2qdk h ALA 200 Cb 0.75 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2qdk h ALA 200 CO 0.06 0.23 -0.02 1.15 0.00 0.00 0.00 179.25 180.67 2qdk h THR 201 N 0.88 1.24 -0.10 0.00 2.02 -1.85 -2.22 112.91 112.89 2qdk h THR 201 Ca 0.31 -0.91 0.03 0.00 0.77 0.00 0.00 66.41 66.62 2qdk h THR 201 Cb 0.08 1.84 -0.03 0.00 -1.74 0.00 0.00 68.15 68.29 2qdk h THR 201 CO -0.13 0.23 -0.10 0.25 0.37 0.00 0.00 175.52 176.13 2qdk h LEU 202 N -0.45 -0.31 -0.44 2.58 5.85 -0.99 -0.63 115.31 120.92 2qdk h LEU 202 Ca -0.01 0.06 -0.16 0.00 0.84 0.00 0.00 57.88 58.62 2qdk h LEU 202 Cb 0.41 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 2qdk h LEU 202 CO 0.01 -0.14 -0.40 -0.07 -0.34 0.00 0.00 178.44 177.50 2qdk h LEU 203 N -0.13 0.93 -0.13 2.25 3.38 -0.57 -2.14 115.31 118.91 2qdk h LEU 203 Ca 0.07 -0.43 -0.06 0.00 0.09 0.00 0.00 57.88 57.55 2qdk h LEU 203 Cb 0.23 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 2qdk h LEU 203 CO -0.17 1.21 -0.14 0.74 0.09 0.00 0.00 178.44 180.16 2qdk h THR 204 N 0.71 1.36 -0.25 0.22 2.02 -1.26 0.06 112.91 115.77 2qdk h THR 204 Ca 0.06 -1.32 -0.04 0.00 0.77 0.00 0.00 66.41 65.87 2qdk h THR 204 Cb 0.98 1.94 -0.01 0.00 -1.74 0.00 0.00 68.15 69.31 2qdk h THR 204 CO 0.09 0.38 -0.02 0.00 0.37 0.00 0.00 175.52 176.35 2qdk h MET 205 N -0.07 0.37 0.00 6.66 -0.00 -1.09 -1.96 114.93 118.84 2qdk h MET 205 Ca 0.02 -0.07 -0.01 0.00 -0.00 0.00 0.00 59.70 59.64 2qdk h MET 205 Cb 0.68 -0.06 0.00 0.00 -0.00 0.00 0.00 31.60 32.22 2qdk h MET 205 CO 0.03 0.42 -0.03 0.00 -0.00 0.00 0.00 176.91 177.33 2qdk h ALA 207 N 0.07 1.26 -0.02 0.00 0.00 -0.94 -1.61 119.26 118.02 2qdk h ALA 207 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2qdk h ALA 207 Cb 0.95 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2qdk h ALA 207 CO 0.01 0.03 -0.13 -1.13 0.00 0.00 0.00 179.25 178.02 2qdk n SER 208 N -3.48 2.18 -1.31 0.00 3.41 -0.74 -4.34 113.62 109.35 2qdk n SER 208 Ca -0.03 -1.64 0.04 0.00 -0.26 0.00 0.00 58.87 56.99 2qdk n SER 208 Cb 0.12 0.11 0.06 0.00 -0.26 0.00 0.00 64.21 64.24 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 0.53 0.32 -1.02 4.33 10.64 -0.76 -5.00 117.38 126.41 2qdk n GLN 209 Ca 0.14 -2.25 -0.01 0.00 -1.83 0.00 0.00 57.00 53.06 2qdk n GLN 209 Cb 0.48 -0.33 -0.00 0.00 -0.86 0.00 0.00 30.24 29.53 2qdk n GLN 209 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2qdk n GLY 210 N 0.17 0.44 3.89 2.61 0.00 -1.08 -5.02 105.19 106.20 2qdk n GLY 210 Ca 0.09 -0.12 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.15 4.29 -0.16 0.99 1.43 -0.68 -5.05 118.68 119.35 2qdk s LEU 211 Ca 0.00 0.59 -0.12 0.00 -1.03 0.00 0.00 54.13 53.57 2qdk s LEU 211 Cb 0.00 -3.21 -0.05 0.00 0.03 0.00 0.00 46.19 42.96 2qdk s LEU 211 CO 0.00 0.09 0.24 -0.13 0.23 0.00 0.00 176.35 176.77 2qdk s ARG 212 N -2.50 4.14 0.01 1.70 0.52 -0.32 -3.93 118.95 118.57 2qdk s ARG 212 Ca 0.39 -0.00 0.01 0.00 -0.52 0.00 0.00 55.73 55.60 2qdk s ARG 212 Cb -0.12 -3.39 -0.01 0.00 0.52 0.00 0.00 34.95 31.94 2qdk s ARG 212 CO 0.23 0.33 -0.03 0.00 0.02 0.00 0.00 175.30 175.86 2qdk s ALA 213 N 0.21 0.20 0.14 2.13 0.00 -1.26 0.10 121.76 123.29 2qdk s ALA 213 Ca 0.14 -0.37 -0.01 0.00 0.00 0.00 0.00 51.96 51.72 2qdk s ALA 213 Cb -0.12 0.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.00 2qdk s ALA 213 CO 0.03 -0.04 0.08 0.20 0.00 0.00 0.00 175.76 176.02 2qdk s GLY 214 N -0.80 1.06 -0.09 0.00 0.00 -0.55 -0.82 107.32 106.12 2qdk s GLY 214 Ca -0.07 -1.49 -0.07 0.00 0.00 0.00 0.00 44.72 43.09 2qdk s GLY 214 CO -0.00 -1.35 0.23 -0.29 0.00 0.00 0.00 173.10 171.69 2qdk s MET 215 N -4.07 0.23 0.01 2.90 1.75 -1.26 -1.09 119.30 117.78 2qdk s MET 215 Ca 0.27 0.39 0.05 0.00 -1.25 0.00 0.00 55.69 55.15 2qdk s MET 215 Cb 0.07 0.03 -0.02 0.00 2.84 0.00 0.00 34.83 37.75 2qdk s MET 215 CO 0.04 -0.08 -0.15 0.54 -0.65 0.00 0.00 175.02 174.72 2qdk s VAL 216 N 0.57 1.16 -0.04 10.11 0.11 -0.72 -1.96 120.40 129.65 2qdk s VAL 216 Ca -0.04 -0.82 -0.04 0.00 -2.93 0.00 0.00 61.98 58.16 2qdk s VAL 216 Cb -0.05 -1.01 0.01 0.00 -1.53 0.00 0.00 36.38 33.80 2qdk s VAL 216 CO -0.03 0.18 0.10 0.00 -3.33 0.00 0.00 175.10 172.02 2qdk s ALA 217 N -0.58 -0.25 -0.03 1.54 0.00 -0.00 -1.76 121.76 120.68 2qdk s ALA 217 Ca 0.04 0.30 -0.17 0.00 0.00 0.00 0.00 51.96 52.14 2qdk s ALA 217 Cb -0.07 -0.18 -0.05 0.00 0.00 0.00 0.00 23.12 22.82 2qdk s ALA 217 CO 0.00 -0.05 0.45 0.20 0.00 0.00 0.00 175.76 176.36 2qdk s GLY 218 N 0.10 2.47 -0.21 0.00 0.00 -0.58 0.33 107.32 109.44 2qdk s GLY 218 Ca -0.00 -0.18 -0.24 0.00 0.00 0.00 0.00 44.72 44.30 2qdk s GLY 218 CO -0.00 0.41 0.77 0.14 0.00 0.00 0.00 173.10 174.42 2qdk s VAL 219 N -0.47 4.90 -1.26 1.40 1.01 -0.15 0.35 120.40 126.18 2qdk s VAL 219 Ca 0.25 1.47 0.15 0.00 0.00 0.00 0.00 61.98 63.85 2qdk s VAL 219 Cb -0.16 -4.07 -0.02 0.00 0.00 0.00 0.00 36.38 32.12 2qdk s VAL 219 CO 0.13 0.01 0.78 2.30 0.00 0.00 0.00 175.10 178.32 2qdk n ILE 220 N 4.94 0.00 -3.62 2.22 -5.35 0.29 -1.83 119.36 116.02 2qdk n ILE 220 Ca 0.03 -0.32 -0.02 0.00 -0.27 0.00 0.00 62.75 62.17 2qdk n ILE 220 Cb 0.49 1.15 -0.01 0.00 -1.74 0.00 0.00 39.64 39.53 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 -1.85 0.00 -0.06 7.28 0.11 -1.24 -4.97 120.40 119.67 2qdk s VAL 221 Ca 0.11 -0.21 -0.00 0.00 -2.93 0.00 0.00 61.98 58.96 2qdk s VAL 221 Cb 0.12 -1.65 0.02 0.00 -1.53 0.00 0.00 36.38 33.35 2qdk s VAL 221 CO 0.40 0.00 -0.03 0.21 -3.33 0.00 0.00 175.10 172.35 2qdk s ASN 222 N -2.71 1.32 0.21 3.54 3.84 -1.26 -1.89 114.94 117.99 2qdk s ASN 222 Ca 0.12 -0.13 -0.09 0.00 0.21 0.00 0.00 52.86 52.98 2qdk s ASN 222 Cb 0.02 -0.48 0.25 0.00 -0.55 0.00 0.00 41.25 40.49 2qdk s ASN 222 CO -0.04 -0.12 1.82 0.03 -2.79 0.00 0.00 177.10 176.01 2qdk h ARG 223 N 7.74 0.73 -6.87 0.43 3.08 -1.44 -2.32 114.38 115.74 2qdk h ARG 223 Ca -0.30 -0.04 -0.51 0.00 0.07 0.00 0.00 59.98 59.20 2qdk h ARG 223 Cb 1.14 -0.17 0.04 0.00 0.08 0.00 0.00 29.97 31.07 2qdk h ARG 223 CO 0.38 0.49 0.54 0.99 -1.07 0.00 0.00 179.97 181.29 2qdk s THR 224 N -6.09 3.14 -1.51 2.04 2.01 -1.26 -2.58 115.64 111.39 2qdk s THR 224 Ca -0.13 1.10 -0.06 0.00 0.31 0.00 0.00 61.69 62.91 2qdk s THR 224 Cb 0.16 -3.68 0.01 0.00 0.01 0.00 0.00 72.50 69.01 2qdk s THR 224 CO 0.77 0.23 0.68 0.00 -0.69 0.00 0.00 174.62 175.60 2qdk n GLN 225 N 0.77 -5.17 0.00 4.92 10.64 -1.26 -4.98 117.38 122.30 2qdk n GLN 225 Ca 0.01 0.85 0.00 0.00 -1.83 0.00 0.00 57.00 56.03 2qdk n GLN 225 Cb 0.44 -5.73 0.00 0.00 -0.86 0.00 0.00 30.24 24.09 2qdk n GLN 225 CO 0.00 0.00 0.00 0.94 -1.83 0.00 0.00 177.06 176.17 2qdk n GLN 226 N -4.15 0.00 -0.98 2.61 7.27 -0.87 -4.67 117.38 116.59 2qdk n GLN 226 Ca -0.09 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.98 2qdk n GLN 226 Cb 0.60 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.25 2qdk n GLN 226 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 2qdk n THR 237 N 0.00 0.00 -0.30 1.69 -2.24 -1.26 -4.63 114.28 107.55 2qdk n THR 237 Ca 0.00 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.72 2qdk n THR 237 Cb 0.00 0.00 0.07 0.00 -2.10 0.00 0.00 70.33 68.30 2qdk n THR 237 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2qdk h GLU 238 N 2.46 1.21 -0.46 -0.78 4.81 -1.95 -2.05 114.58 117.82 2qdk h GLU 238 Ca 0.00 -0.22 -0.02 0.00 -0.13 0.00 0.00 59.36 58.99 2qdk h GLU 238 Cb 0.00 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.16 2qdk h GLU 238 CO 0.00 0.97 0.19 0.66 -0.73 0.00 0.00 179.01 180.10 2qdk h SER 239 N 1.18 0.59 -0.56 1.04 4.64 -2.01 -0.81 113.55 117.62 2qdk h SER 239 Ca 0.27 -0.06 -0.07 0.00 -0.47 0.00 0.00 61.79 61.46 2qdk h SER 239 Cb 0.21 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.13 2qdk h SER 239 CO -0.02 0.53 0.08 0.45 -0.87 0.00 0.00 176.83 177.00 2qdk h HIS 240 N 0.65 0.99 -0.50 4.77 3.86 -1.82 0.60 115.15 123.70 2qdk h HIS 240 Ca 0.16 -0.14 -0.10 0.00 -1.16 0.00 0.00 60.37 59.13 2qdk h HIS 240 Cb 0.12 -0.27 -0.02 0.00 1.06 0.00 0.00 27.41 28.30 2qdk h HIS 240 CO 0.01 0.88 -0.06 0.00 0.86 0.00 0.00 177.93 179.61 2qdk h ALA 241 N 0.99 0.69 -0.59 2.45 0.00 -1.13 -2.23 119.26 119.45 2qdk h ALA 241 Ca 0.17 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2qdk h ALA 241 Cb 0.43 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 2qdk h ALA 241 CO 0.01 0.55 0.31 0.28 0.00 0.00 0.00 179.25 180.40 2qdk h VAL 242 N 0.79 1.20 -0.92 0.00 2.07 -0.75 -1.34 116.25 117.30 2qdk h VAL 242 Ca 0.14 -0.52 0.02 0.00 0.82 0.00 0.00 66.70 67.16 2qdk h VAL 242 Cb 0.60 0.47 -0.05 0.00 -1.52 0.00 0.00 31.29 30.79 2qdk h VAL 242 CO 0.04 0.22 0.60 0.11 0.02 0.00 0.00 177.57 178.56 2qdk h LYS 243 N 0.79 1.16 -0.29 1.57 1.57 0.30 -2.15 116.57 119.52 2qdk h LYS 243 Ca 0.20 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.88 2qdk h LYS 243 Cb 0.07 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.11 2qdk h LYS 243 CO -0.03 0.76 0.04 0.82 -0.57 0.00 0.00 179.45 180.48 2qdk h ILE 244 N 1.19 1.23 -0.71 1.86 2.04 -1.00 -1.82 117.51 120.30 2qdk h ILE 244 Ca 0.35 -0.81 -0.04 0.00 1.00 0.00 0.00 64.86 65.37 2qdk h ILE 244 Cb -0.06 1.20 -0.03 0.00 -0.74 0.00 0.00 36.82 37.19 2qdk h ILE 244 CO -0.10 0.26 0.29 1.62 0.00 0.00 0.00 178.15 180.22 2qdk h VAL 245 N 0.30 1.25 -0.41 1.67 3.04 -0.95 0.16 116.25 121.30 2qdk h VAL 245 Ca 0.09 -0.76 -0.08 0.00 -1.01 0.00 0.00 66.70 64.94 2qdk h VAL 245 Cb 0.35 0.43 -0.01 0.00 -2.01 0.00 0.00 31.29 30.04 2qdk h VAL 245 CO 0.01 0.31 -0.04 0.58 -1.01 0.00 0.00 177.57 177.42 2qdk h VAL 246 N 1.01 1.27 -0.34 1.51 2.07 -1.38 -0.99 116.25 119.40 2qdk h VAL 246 Ca 0.24 -1.09 -0.08 0.00 0.82 0.00 0.00 66.70 66.58 2qdk h VAL 246 Cb 0.20 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 2qdk h VAL 246 CO -0.02 0.37 -0.14 -0.33 0.02 0.00 0.00 177.57 177.47 2qdk h GLU 247 N 0.58 0.61 -0.69 1.57 4.39 -1.02 -2.11 114.58 117.91 2qdk h GLU 247 Ca 0.11 -0.20 -0.07 0.00 0.34 0.00 0.00 59.36 59.54 2qdk h GLU 247 Cb 0.54 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.10 2qdk h GLU 247 CO 0.03 0.73 0.15 0.00 -1.16 0.00 0.00 179.01 178.75 2qdk h ALA 248 N 1.30 0.96 -0.94 3.43 0.00 -0.58 -2.89 119.26 120.54 2qdk h ALA 248 Ca 0.10 -0.26 0.05 0.00 0.00 0.00 0.00 54.91 54.80 2qdk h ALA 248 Cb 0.56 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 18.04 2qdk h ALA 248 CO 0.04 0.66 0.61 0.00 0.00 0.00 0.00 179.25 180.56 2qdk h ALA 249 N 1.11 1.42 -0.96 0.00 0.00 -0.60 -1.45 119.26 118.77 2qdk h ALA 249 Ca 0.21 -0.04 0.13 0.00 0.00 0.00 0.00 54.91 55.21 2qdk h ALA 249 Cb 0.39 -0.32 -0.08 0.00 0.00 0.00 0.00 17.79 17.79 2qdk h ALA 249 CO 0.01 0.47 0.61 0.00 0.00 0.00 0.00 179.25 180.34 2qdk h ARG 250 N 1.15 0.86 0.00 0.00 3.08 -1.19 -2.13 114.38 116.15 2qdk h ARG 250 Ca 0.38 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.38 2qdk h ARG 250 Cb 0.07 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 29.92 2qdk h ARG 250 CO -0.13 0.57 -0.00 0.54 -1.07 0.00 0.00 179.97 179.88 2qdk n ARG 251 N -4.60 0.05 0.00 0.04 1.74 -0.57 -3.46 116.66 109.87 2qdk n ARG 251 Ca 0.18 0.04 0.07 0.00 -0.77 0.00 0.00 57.85 57.37 2qdk n ARG 251 Cb 0.40 -1.56 0.01 0.00 -1.02 0.00 0.00 32.46 30.29 2qdk n ARG 251 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2qdk n LEU 252 N -1.66 1.60 0.00 0.55 4.77 -0.83 -5.07 117.00 116.37 2qdk n LEU 252 Ca 0.07 -0.82 0.10 0.00 -0.03 0.00 0.00 56.01 55.33 2qdk n LEU 252 Cb 0.36 0.00 0.58 0.00 -2.33 0.00 0.00 43.42 42.03 2qdk n LEU 252 CO 0.28 0.31 0.77 0.18 -1.33 0.00 0.00 177.39 177.60