#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qdk s SER 4 N 0.00 -0.22 0.00 4.39 0.15 -1.26 -4.45 113.70 112.30 2qdk s SER 4 Ca 0.00 0.12 0.23 0.00 0.70 0.00 0.00 55.95 57.00 2qdk s SER 4 Cb 0.00 0.33 0.12 0.00 -1.71 0.00 0.00 66.02 64.76 2qdk s SER 4 CO 0.00 -0.47 1.17 0.47 1.20 0.00 0.00 173.24 175.61 2qdk n ASP 5 N 1.21 1.71 -4.19 5.45 8.00 0.12 -4.93 116.55 123.92 2qdk n ASP 5 Ca -0.21 -1.32 -0.11 0.00 0.71 0.00 0.00 54.79 53.85 2qdk n ASP 5 Cb 0.56 0.46 -0.10 0.00 -0.02 0.00 0.00 41.12 42.03 2qdk n ASP 5 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2qdk s VAL 6 N -2.55 0.70 0.23 2.53 -7.23 -1.23 -5.04 120.40 107.81 2qdk s VAL 6 Ca 0.18 -1.95 0.05 0.00 -1.81 0.00 0.00 61.98 58.46 2qdk s VAL 6 Cb 0.18 -1.78 -0.06 0.00 0.56 0.00 0.00 36.38 35.28 2qdk s VAL 6 CO 0.60 -0.78 1.54 -0.26 -0.31 0.00 0.00 175.10 175.88 2qdk h PHE 7 N 2.90 0.23 0.00 2.82 -1.00 -1.94 -3.40 116.94 116.55 2qdk h PHE 7 Ca -0.36 -0.10 -0.08 0.00 2.81 0.00 0.00 57.97 60.25 2qdk h PHE 7 Cb 1.17 -0.04 -0.01 0.00 3.61 0.00 0.00 35.95 40.68 2qdk h PHE 7 CO 0.58 0.78 -1.30 0.72 -1.61 0.00 0.00 178.31 177.47 2qdk n HIS 8 N -3.82 0.00 0.20 -0.55 8.25 -1.26 -4.80 115.22 113.24 2qdk n HIS 8 Ca -0.02 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.52 2qdk n HIS 8 Cb 0.65 -0.21 0.29 0.00 1.12 0.00 0.00 29.99 31.85 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 0.16 2.41 3.38 -1.93 -3.44 115.31 115.90 2qdk h LEU 9 Ca -0.12 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.72 2qdk h LEU 9 Cb 1.21 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.97 2qdk h LEU 9 CO -0.01 0.27 -0.19 0.61 0.09 0.00 0.00 178.44 179.21 2qdk n GLY 10 N 0.61 0.25 3.26 0.83 0.00 -1.26 -4.67 105.19 104.21 2qdk n GLY 10 Ca 0.01 -0.51 -0.21 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.38 2.33 0.30 0.99 1.43 -1.26 -4.77 118.68 115.32 2qdk s LEU 11 Ca 0.08 -0.71 0.09 0.00 -1.03 0.00 0.00 54.13 52.56 2qdk s LEU 11 Cb -0.03 -0.73 -0.05 0.00 0.03 0.00 0.00 46.19 45.41 2qdk s LEU 11 CO 0.10 -0.02 -0.00 0.42 0.23 0.00 0.00 176.35 177.07 2qdk s THR 12 N -1.48 2.98 0.26 5.49 -4.23 -1.26 -0.70 115.64 116.70 2qdk s THR 12 Ca 0.06 -1.97 -0.02 0.00 -1.18 0.00 0.00 61.69 58.58 2qdk s THR 12 Cb -0.09 -2.78 0.26 0.00 1.34 0.00 0.00 72.50 71.24 2qdk s THR 12 CO 0.04 -0.29 1.86 0.11 -0.54 0.00 0.00 174.62 175.79 2qdk h LYS 13 N 1.86 1.02 -0.97 3.99 1.57 -1.96 -1.95 116.57 120.13 2qdk h LYS 13 Ca -0.43 -0.06 0.15 0.00 -1.87 0.00 0.00 60.65 58.44 2qdk h LYS 13 Cb 1.25 -0.23 -0.09 0.00 0.08 0.00 0.00 32.23 33.25 2qdk h LYS 13 CO 0.63 0.68 0.61 -0.97 -0.57 0.00 0.00 179.45 179.83 2qdk h ASN 14 N 1.05 0.80 -0.10 0.86 -0.00 -1.95 -0.61 115.58 115.63 2qdk h ASN 14 Ca 0.44 0.06 0.03 0.00 -0.00 0.00 0.00 56.30 56.83 2qdk h ASN 14 Cb 0.28 -0.10 -0.00 0.00 -0.00 0.00 0.00 38.32 38.50 2qdk h ASN 14 CO -0.21 0.38 0.08 0.44 -0.00 0.00 0.00 177.43 178.13 2qdk h ASP 15 N 0.84 0.00 1.78 1.15 3.45 -1.75 -2.30 116.42 119.59 2qdk h ASP 15 Ca 0.51 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.97 2qdk h ASP 15 Cb 0.68 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.45 2qdk h ASP 15 CO -0.28 0.00 -0.11 -0.07 -1.57 0.00 0.00 179.24 177.21 2qdk h LEU 16 N 0.00 0.00 -1.27 1.55 4.07 -1.17 -3.48 115.31 115.01 2qdk h LEU 16 Ca 0.05 -0.01 -0.52 0.00 0.08 0.00 0.00 57.88 57.48 2qdk h LEU 16 Cb 0.20 0.00 -0.13 0.00 1.08 0.00 0.00 40.66 41.82 2qdk h LEU 16 CO -0.00 0.00 -0.83 0.00 -1.08 0.00 0.00 178.44 176.54 2qdk n GLN 17 N -2.88 -3.81 -0.59 1.13 6.02 -0.87 -1.33 117.38 115.06 2qdk n GLN 17 Ca 0.04 0.44 0.00 0.00 -0.01 0.00 0.00 57.00 57.47 2qdk n GLN 17 Cb 0.51 -5.07 0.00 0.00 1.02 0.00 0.00 30.24 26.70 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 -1.60 0.76 3.75 1.08 0.00 -1.26 -4.63 105.19 103.28 2qdk n GLY 18 Ca -0.03 0.00 -0.42 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 -0.24 2.03 -0.03 4.61 0.00 -0.44 -4.87 120.51 121.57 2qdk n ALA 19 Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.79 2qdk n ALA 19 Cb 0.00 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.08 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 0.57 2.08 -4.75 0.00 6.02 -1.26 -4.29 117.38 115.76 2qdk n GLN 20 Ca 0.03 -0.28 -0.26 0.00 -0.01 0.00 0.00 57.00 56.48 2qdk n GLN 20 Cb 0.38 -0.77 -0.16 0.00 1.02 0.00 0.00 30.24 30.70 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 -0.76 1.84 -0.04 1.08 0.20 -1.26 -0.50 118.68 119.25 2qdk s LEU 21 Ca 0.00 -0.34 0.06 0.00 0.69 0.00 0.00 54.13 54.55 2qdk s LEU 21 Cb 0.00 -0.92 -0.01 0.00 -0.43 0.00 0.00 46.19 44.82 2qdk s LEU 21 CO 0.00 0.11 -0.23 0.00 -0.29 0.00 0.00 176.35 175.94 2qdk s ALA 22 N 0.25 1.94 -0.19 5.97 0.00 -0.05 -1.66 121.76 128.02 2qdk s ALA 22 Ca -0.08 -0.96 -0.14 0.00 0.00 0.00 0.00 51.96 50.78 2qdk s ALA 22 Cb -0.13 -0.55 -0.04 0.00 0.00 0.00 0.00 23.12 22.39 2qdk s ALA 22 CO 0.03 0.42 0.31 0.42 0.00 0.00 0.00 175.76 176.95 2qdk s ILE 23 N -0.32 5.27 -0.49 0.00 1.01 0.20 -1.24 121.20 125.64 2qdk s ILE 23 Ca 0.03 0.56 0.03 0.00 0.00 0.00 0.00 60.65 61.27 2qdk s ILE 23 Cb -0.11 -3.65 0.13 0.00 0.01 0.00 0.00 42.46 38.84 2qdk s ILE 23 CO 0.01 0.33 0.25 0.68 0.00 0.00 0.00 174.94 176.21 2qdk s VAL 24 N 0.87 2.18 0.75 2.92 -7.23 0.56 -1.30 120.40 119.16 2qdk s VAL 24 Ca 0.16 -3.04 -0.12 0.00 -1.81 0.00 0.00 61.98 57.18 2qdk s VAL 24 Cb -0.14 -2.52 0.04 0.00 0.56 0.00 0.00 36.38 34.32 2qdk s VAL 24 CO 0.05 -0.83 1.12 -2.16 -0.31 0.00 0.00 175.10 172.98 2qdk s PRO 25 N -0.04 2.47 0.00 4.82 0.04 -1.24 -3.17 135.00 137.88 2qdk s PRO 25 Ca 0.17 0.40 -0.18 0.00 0.04 0.00 0.00 61.00 61.43 2qdk s PRO 25 Cb -0.25 -1.98 -0.32 0.00 0.04 0.00 0.00 34.50 31.98 2qdk s PRO 25 CO -0.00 -1.30 0.98 0.78 0.04 0.00 0.00 177.00 177.50 2qdk h GLY 26 N -0.84 0.52 -6.43 0.56 0.00 -1.84 -1.40 103.07 93.64 2qdk h GLY 26 Ca -0.46 -1.25 -0.60 0.00 0.00 0.00 0.00 47.33 45.02 2qdk h GLY 26 CO 0.64 1.10 -0.12 -0.35 0.00 0.00 0.00 176.54 177.81 2qdk s ASP 27 N -7.27 6.47 0.53 0.19 -1.08 -1.26 -1.32 116.67 112.93 2qdk s ASP 27 Ca -0.11 0.56 0.30 0.00 -0.52 0.00 0.00 52.55 52.78 2qdk s ASP 27 Cb 0.03 -2.26 1.46 0.00 -1.46 0.00 0.00 42.92 40.69 2qdk s ASP 27 CO 0.89 -0.15 1.90 -0.65 0.52 0.00 0.00 175.17 177.69 2qdk h PRO 28 N 7.53 0.02 0.00 4.34 0.11 -1.89 -1.12 132.00 140.98 2qdk h PRO 28 Ca -0.34 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.72 2qdk h PRO 28 Cb 1.16 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 2qdk h PRO 28 CO 0.72 0.01 -0.23 0.93 -0.21 0.00 0.00 178.00 179.22 2qdk h GLU 29 N 0.02 0.00 0.00 1.05 4.39 -1.98 -2.78 114.58 115.28 2qdk h GLU 29 Ca 0.40 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.10 2qdk h GLU 29 Cb 1.59 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.24 2qdk h GLU 29 CO -0.01 0.23 -0.26 -2.13 -1.16 0.00 0.00 179.01 175.69 2qdk n ARG 30 N -3.82 0.11 0.15 2.33 0.63 -0.43 -4.24 116.66 111.39 2qdk n ARG 30 Ca -0.02 0.06 -0.14 0.00 -0.92 0.00 0.00 57.85 56.83 2qdk n ARG 30 Cb 0.33 -1.59 -0.07 0.00 0.45 0.00 0.00 32.46 31.57 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 0.00 0.71 -1.01 5.15 2.07 -1.58 -1.52 116.25 120.07 2qdk h VAL 31 Ca 0.00 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.54 2qdk h VAL 31 Cb 0.59 0.71 -0.05 0.00 -1.52 0.00 0.00 31.29 31.02 2qdk h VAL 31 CO 0.00 0.00 0.67 -0.08 0.02 0.00 0.00 177.57 178.18 2qdk h GLU 32 N -0.35 1.29 -0.52 1.57 4.81 -1.77 -0.82 114.58 118.80 2qdk h GLU 32 Ca -0.02 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.13 2qdk h GLU 32 Cb 0.29 -0.29 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 2qdk h GLU 32 CO 0.02 0.86 0.31 0.87 -0.73 0.00 0.00 179.01 180.34 2qdk h LYS 33 N 1.33 0.70 -0.07 1.92 1.57 -1.69 0.39 116.57 120.72 2qdk h LYS 33 Ca 0.38 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 59.08 2qdk h LYS 33 Cb -0.09 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.07 2qdk h LYS 33 CO -0.10 0.51 -0.02 0.82 -0.57 0.00 0.00 179.45 180.09 2qdk h ILE 34 N 0.69 1.29 -0.37 1.86 2.04 -0.84 -3.03 117.51 119.15 2qdk h ILE 34 Ca 0.19 -0.93 0.04 0.00 1.00 0.00 0.00 64.86 65.15 2qdk h ILE 34 Cb -0.01 1.77 -0.02 0.00 -0.74 0.00 0.00 36.82 37.82 2qdk h ILE 34 CO -0.03 0.26 0.25 0.00 0.00 0.00 0.00 178.15 178.62 2qdk h ALA 35 N 0.67 1.93 0.00 1.87 0.00 -0.95 -1.56 119.26 121.21 2qdk h ALA 35 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2qdk h ALA 35 Cb 0.42 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2qdk h ALA 35 CO 0.01 0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.27 2qdk h ALA 36 N 1.79 1.00 -0.02 0.00 0.00 -0.79 -1.82 119.26 119.43 2qdk h ALA 36 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2qdk h ALA 36 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2qdk h ALA 36 CO -0.03 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.50 2qdk n LEU 37 N -2.65 1.00 -4.71 0.00 7.99 -0.59 -4.90 117.00 113.15 2qdk n LEU 37 Ca -0.01 -0.34 -0.31 0.00 -0.01 0.00 0.00 56.01 55.34 2qdk n LEU 37 Cb 0.11 -0.01 -0.09 0.00 -0.11 0.00 0.00 43.42 43.33 2qdk n LEU 37 CO 0.17 0.17 -0.27 -0.04 -1.51 0.00 0.00 177.39 175.91 2qdk s MET 38 N -1.99 2.11 0.34 3.23 -1.94 -0.68 -5.12 119.30 115.24 2qdk s MET 38 Ca 0.41 -2.29 -0.18 0.00 -1.71 0.00 0.00 55.69 51.91 2qdk s MET 38 Cb 0.21 -1.58 -0.10 0.00 2.01 0.00 0.00 34.83 35.38 2qdk s MET 38 CO 0.34 -0.24 0.82 -0.51 -0.01 0.00 0.00 175.02 175.41 2qdk s ASP 39 N -3.81 6.91 -1.47 3.03 -0.00 -0.12 -4.32 116.67 116.89 2qdk s ASP 39 Ca 0.17 1.47 -0.05 0.00 -0.00 0.00 0.00 52.55 54.14 2qdk s ASP 39 Cb 0.05 -2.45 0.04 0.00 -0.00 0.00 0.00 42.92 40.56 2qdk s ASP 39 CO 0.09 -0.21 0.54 0.29 -0.00 0.00 0.00 175.17 175.88 2qdk n LYS 40 N -0.21 -3.48 -2.27 8.23 5.02 -1.26 -0.58 118.16 123.61 2qdk n LYS 40 Ca 0.04 0.42 -0.39 0.00 -2.02 0.00 0.00 58.31 56.36 2qdk n LYS 40 Cb 0.53 -4.73 -0.02 0.00 -0.02 0.00 0.00 35.03 30.78 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 -6.62 4.15 -0.15 1.97 0.04 -1.26 -4.52 135.00 128.61 2qdk s PRO 41 Ca 0.20 1.90 -0.14 0.00 0.04 0.00 0.00 61.00 63.00 2qdk s PRO 41 Cb -0.11 -2.78 0.04 0.00 0.04 0.00 0.00 34.50 31.69 2qdk s PRO 41 CO 0.89 -0.26 0.41 0.54 0.04 0.00 0.00 177.00 178.62 2qdk s VAL 42 N -1.34 0.00 0.36 -0.36 0.11 -0.31 -5.00 120.40 113.85 2qdk s VAL 42 Ca 0.55 -0.01 -0.28 0.00 -2.93 0.00 0.00 61.98 59.31 2qdk s VAL 42 Cb -0.32 -0.57 -0.12 0.00 -1.53 0.00 0.00 36.38 33.84 2qdk s VAL 42 CO 0.41 -0.00 1.41 1.17 -3.33 0.00 0.00 175.10 174.76 2qdk n LYS 43 N 2.84 2.44 0.00 1.54 3.00 -1.26 -1.05 118.16 125.66 2qdk n LYS 43 Ca -0.13 0.85 0.00 0.00 -0.00 0.00 0.00 58.31 59.03 2qdk n LYS 43 Cb 0.57 -2.52 0.00 0.00 0.00 0.00 0.00 35.03 33.08 2qdk n LYS 43 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2qdk n LEU 44 N 0.69 0.00 -3.91 3.14 4.77 -0.08 -4.82 117.00 116.80 2qdk n LEU 44 Ca 0.03 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.93 2qdk n LEU 44 Cb 0.37 -0.08 -0.08 0.00 -2.33 0.00 0.00 43.42 41.31 2qdk n LEU 44 CO 0.63 -0.14 -0.13 0.00 -1.33 0.00 0.00 177.39 176.42 2qdk s ALA 45 N -3.33 -0.06 -0.11 -1.18 0.00 -1.08 -4.99 121.76 111.01 2qdk s ALA 45 Ca 0.00 -0.76 -0.03 0.00 0.00 0.00 0.00 51.96 51.17 2qdk s ALA 45 Cb 0.00 0.51 0.04 0.00 0.00 0.00 0.00 23.12 23.67 2qdk s ALA 45 CO 0.00 -0.50 0.05 -1.12 0.00 0.00 0.00 175.76 174.19 2qdk s SER 46 N -2.89 1.94 -0.03 0.00 0.01 -1.26 -1.00 113.70 110.47 2qdk s SER 46 Ca 0.07 -0.33 -0.01 0.00 1.31 0.00 0.00 55.95 56.99 2qdk s SER 46 Cb 0.05 -0.33 0.03 0.00 0.21 0.00 0.00 66.02 65.98 2qdk s SER 46 CO -0.09 -0.28 0.04 -1.00 0.41 0.00 0.00 173.24 172.32 2qdk s HIS 47 N 2.05 0.11 0.00 2.43 3.76 -0.63 -4.99 115.29 118.01 2qdk s HIS 47 Ca 0.03 0.14 0.00 0.00 -0.15 0.00 0.00 55.06 55.08 2qdk s HIS 47 Cb -0.14 -0.37 0.00 0.00 1.11 0.00 0.00 32.58 33.18 2qdk s HIS 47 CO -0.06 -0.14 0.00 0.54 -0.85 0.00 0.00 174.74 174.23 2qdk n ARG 48 N 4.60 0.00 -0.19 1.40 5.12 -1.26 -1.01 116.66 125.32 2qdk n ARG 48 Ca -0.18 0.00 0.03 0.00 -1.93 0.00 0.00 57.85 55.77 2qdk n ARG 48 Cb 0.50 0.00 0.11 0.00 -1.16 0.00 0.00 32.46 31.91 2qdk n ARG 48 CO 0.00 0.00 0.00 -0.85 -1.93 0.00 0.00 177.63 174.85 2qdk n GLU 49 N 14.00 1.83 -3.60 5.56 0.00 -1.26 -4.70 120.64 132.47 2qdk n GLU 49 Ca 0.00 -0.91 -0.40 0.00 0.00 0.00 0.00 57.16 55.85 2qdk n GLU 49 Cb 0.00 -1.42 -0.08 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 -1.63 3.50 -0.20 -1.84 0.40 -0.18 -3.79 117.98 114.23 2qdk s PHE 50 Ca 0.16 -2.25 -0.08 0.00 -0.60 0.00 0.00 56.93 54.16 2qdk s PHE 50 Cb 0.10 -3.42 -0.04 0.00 0.51 0.00 0.00 43.02 40.17 2qdk s PHE 50 CO 0.08 -0.94 0.07 0.99 0.70 0.00 0.00 175.22 176.13 2qdk s THR 51 N 0.62 4.72 -0.02 0.64 2.01 -1.26 -1.61 115.64 120.74 2qdk s THR 51 Ca 0.12 -0.05 0.07 0.00 0.31 0.00 0.00 61.69 62.14 2qdk s THR 51 Cb -0.21 -3.15 -0.02 0.00 0.01 0.00 0.00 72.50 69.13 2qdk s THR 51 CO -0.03 0.42 -0.23 -0.94 -0.69 0.00 0.00 174.62 173.14 2qdk s SER 52 N 0.74 2.75 0.13 3.53 1.04 -0.17 -1.33 113.70 120.39 2qdk s SER 52 Ca 0.04 -0.43 0.06 0.00 0.48 0.00 0.00 55.95 56.10 2qdk s SER 52 Cb -0.13 -0.30 -0.04 0.00 0.10 0.00 0.00 66.02 65.64 2qdk s SER 52 CO 0.02 0.28 -0.13 0.26 0.98 0.00 0.00 173.24 174.65 2qdk s TRP 53 N -0.56 1.39 0.12 5.02 0.52 0.49 -0.90 118.94 125.02 2qdk s TRP 53 Ca 0.09 -0.60 0.10 0.00 0.02 0.00 0.00 56.10 55.71 2qdk s TRP 53 Cb -0.09 -0.72 -0.04 0.00 -1.15 0.00 0.00 33.47 31.48 2qdk s TRP 53 CO -0.01 0.15 -0.21 0.50 0.02 0.00 0.00 176.95 177.40 2qdk s ARG 54 N -2.95 1.67 0.00 4.98 3.52 -0.21 -0.46 118.95 125.49 2qdk s ARG 54 Ca 0.11 -1.23 0.00 0.00 -0.13 0.00 0.00 55.73 54.48 2qdk s ARG 54 Cb -0.03 -2.04 0.00 0.00 -1.56 0.00 0.00 34.95 31.32 2qdk s ARG 54 CO 0.03 0.47 0.00 0.00 -0.81 0.00 0.00 175.30 174.99 2qdk n ALA 55 N 0.87 0.00 -3.08 6.12 0.00 0.02 -1.16 120.51 123.29 2qdk n ALA 55 Ca -0.16 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.15 2qdk n ALA 55 Cb 0.53 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.83 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 -0.79 0.01 -0.09 0.00 2.12 0.25 -0.97 118.70 119.23 2qdk s GLU 56 Ca 0.00 0.07 0.02 0.00 0.36 0.00 0.00 54.97 55.41 2qdk s GLU 56 Cb 0.00 -0.04 0.02 0.00 0.26 0.00 0.00 34.13 34.36 2qdk s GLU 56 CO 0.00 -0.04 -0.12 -0.51 -0.54 0.00 0.00 175.26 174.05 2qdk s LEU 57 N 0.24 1.58 -1.67 2.70 1.43 -0.08 -0.94 118.68 121.95 2qdk s LEU 57 Ca -0.02 -0.35 -0.14 0.00 -1.03 0.00 0.00 54.13 52.60 2qdk s LEU 57 Cb -0.03 -0.93 0.12 0.00 0.03 0.00 0.00 46.19 45.39 2qdk s LEU 57 CO -0.01 -0.00 0.58 0.47 0.23 0.00 0.00 176.35 177.62 2qdk n ASP 58 N 4.18 -1.90 0.00 2.29 10.43 -1.26 -0.36 116.55 129.94 2qdk n ASP 58 Ca -0.19 -1.09 0.00 0.00 2.57 0.00 0.00 54.79 56.07 2qdk n ASP 58 Cb 0.51 -2.43 0.00 0.00 1.84 0.00 0.00 41.12 41.04 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 -1.60 1.08 3.56 0.44 0.00 -1.26 -5.02 105.19 102.39 2qdk n GLY 59 Ca -0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.10 2.67 0.36 1.61 1.02 0.51 -5.09 119.74 120.73 2qdk s LYS 60 Ca 0.00 -0.60 -0.26 0.00 0.02 0.00 0.00 55.97 55.13 2qdk s LYS 60 Cb 0.00 -2.54 -0.09 0.00 -0.52 0.00 0.00 37.83 34.69 2qdk s LYS 60 CO 0.00 0.65 1.14 0.00 -0.92 0.00 0.00 175.35 176.22 2qdk s ALA 61 N -0.82 3.23 0.04 5.17 0.00 -1.26 -0.91 121.76 127.22 2qdk s ALA 61 Ca 0.13 0.92 0.02 0.00 0.00 0.00 0.00 51.96 53.03 2qdk s ALA 61 Cb -0.11 -3.35 -0.02 0.00 0.00 0.00 0.00 23.12 19.63 2qdk s ALA 61 CO 0.02 -0.38 -0.07 0.14 0.00 0.00 0.00 175.76 175.46 2qdk s VAL 62 N -1.37 0.50 0.00 0.00 -7.23 -0.15 -4.17 120.40 107.98 2qdk s VAL 62 Ca 0.53 -1.11 0.02 0.00 -1.81 0.00 0.00 61.98 59.62 2qdk s VAL 62 Cb -0.30 -0.63 -0.03 0.00 0.56 0.00 0.00 36.38 35.98 2qdk s VAL 62 CO 0.38 -0.42 -0.03 -0.63 -0.31 0.00 0.00 175.10 174.09 2qdk s ILE 63 N -1.51 3.92 -0.14 -0.62 -1.09 -0.67 -0.80 121.20 120.30 2qdk s ILE 63 Ca -0.10 -0.68 0.02 0.00 -2.23 0.00 0.00 60.65 57.67 2qdk s ILE 63 Cb -0.09 -2.73 0.01 0.00 -1.58 0.00 0.00 42.46 38.06 2qdk s ILE 63 CO -0.00 0.38 -0.21 -0.69 -1.23 0.00 0.00 174.94 173.19 2qdk s VAL 64 N -1.05 2.16 -0.07 2.92 1.01 0.40 -0.62 120.40 125.14 2qdk s VAL 64 Ca 0.18 -0.95 -0.03 0.00 0.00 0.00 0.00 61.98 61.18 2qdk s VAL 64 Cb -0.11 -1.87 0.04 0.00 0.00 0.00 0.00 36.38 34.44 2qdk s VAL 64 CO 0.09 0.55 0.15 0.00 0.00 0.00 0.00 175.10 175.89 2qdk s SER 66 N 1.26 6.11 -0.01 0.00 1.04 -0.44 -3.67 113.70 117.99 2qdk s SER 66 Ca -0.08 1.67 0.10 0.00 0.48 0.00 0.00 55.95 58.12 2qdk s SER 66 Cb -0.12 -2.52 -0.15 0.00 0.10 0.00 0.00 66.02 63.33 2qdk s SER 66 CO -0.06 -0.94 0.26 0.35 0.98 0.00 0.00 173.24 173.82 2qdk n THR 67 N -2.01 0.00 -2.32 2.02 -2.24 -0.53 -4.41 114.28 104.79 2qdk n THR 67 Ca 0.08 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 2qdk n THR 67 Cb 0.53 0.37 0.00 0.00 -2.10 0.00 0.00 70.33 69.13 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 1.81 -2.19 3.71 3.38 0.00 -0.43 -3.41 105.19 108.06 2qdk n GLY 68 Ca -0.01 -1.49 -0.39 0.00 0.00 0.00 0.00 46.02 44.13 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 -0.41 5.11 0.00 -0.61 1.01 -1.26 -4.71 121.20 120.34 2qdk s ILE 69 Ca 0.00 1.13 0.00 0.00 0.00 0.00 0.00 60.65 61.78 2qdk s ILE 69 Cb 0.00 -3.90 0.00 0.00 0.01 0.00 0.00 42.46 38.57 2qdk s ILE 69 CO 0.00 0.26 0.00 0.61 0.00 0.00 0.00 174.94 175.81 2qdk n GLY 70 N 3.36 1.55 0.34 6.18 0.00 -1.26 -4.53 105.19 110.83 2qdk n GLY 70 Ca -0.04 -1.84 -0.01 0.00 0.00 0.00 0.00 46.02 44.12 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 1.31 0.84 -0.02 0.00 -1.85 -2.30 103.07 101.05 2qdk h GLY 71 Ca 0.00 -0.46 0.02 0.00 0.00 0.00 0.00 47.33 46.90 2qdk h GLY 71 CO 0.00 0.41 0.15 -2.55 0.00 0.00 0.00 176.54 174.54 2qdk h PRO 72 N 1.17 0.30 -0.32 4.80 0.11 -1.94 0.22 132.00 136.34 2qdk h PRO 72 Ca 0.35 -0.02 -0.16 0.00 0.11 0.00 0.00 66.00 66.29 2qdk h PRO 72 Cb -0.04 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.00 2qdk h PRO 72 CO -0.11 0.20 -0.43 1.03 -0.21 0.00 0.00 178.00 178.49 2qdk h SER 73 N 0.31 0.87 -0.73 -2.05 0.87 -1.78 -2.89 113.55 108.15 2qdk h SER 73 Ca 0.13 -0.41 0.03 0.00 -1.23 0.00 0.00 61.79 60.31 2qdk h SER 73 Cb 0.06 -0.24 -0.04 0.00 -0.44 0.00 0.00 62.40 61.73 2qdk h SER 73 CO -0.10 1.17 0.46 0.74 -0.53 0.00 0.00 176.83 178.57 2qdk h THR 74 N 0.65 1.11 -0.34 2.23 2.02 -1.13 -2.39 112.91 115.06 2qdk h THR 74 Ca 0.05 -0.31 -0.03 0.00 0.77 0.00 0.00 66.41 66.89 2qdk h THR 74 Cb 1.00 0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 67.51 2qdk h THR 74 CO 0.10 0.17 0.10 0.77 0.37 0.00 0.00 175.52 177.02 2qdk h SER 75 N 0.91 0.44 -0.13 4.18 4.64 -0.38 -0.44 113.55 122.77 2qdk h SER 75 Ca 0.29 -0.05 -0.03 0.00 -0.47 0.00 0.00 61.79 61.52 2qdk h SER 75 Cb 0.00 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 61.97 2qdk h SER 75 CO -0.10 0.44 -0.05 0.40 -0.87 0.00 0.00 176.83 176.65 2qdk h ILE 76 N 0.48 1.30 -0.54 0.95 2.04 -1.29 -2.35 117.51 118.11 2qdk h ILE 76 Ca 0.12 -1.03 -0.05 0.00 1.00 0.00 0.00 64.86 64.89 2qdk h ILE 76 Cb 0.16 1.72 -0.02 0.00 -0.74 0.00 0.00 36.82 37.94 2qdk h ILE 76 CO -0.01 0.30 0.12 0.00 0.00 0.00 0.00 178.15 178.57 2qdk h ALA 77 N 0.68 0.71 -0.30 1.87 0.00 -1.08 -1.62 119.26 119.52 2qdk h ALA 77 Ca 0.03 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 2qdk h ALA 77 Cb 0.49 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2qdk h ALA 77 CO 0.02 0.42 0.04 0.28 0.00 0.00 0.00 179.25 180.00 2qdk h VAL 78 N 0.76 1.24 -0.33 0.00 2.07 -1.14 0.06 116.25 118.92 2qdk h VAL 78 Ca 0.17 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 66.86 2qdk h VAL 78 Cb 0.35 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 2qdk h VAL 78 CO 0.00 0.27 0.21 -0.08 0.02 0.00 0.00 177.57 177.99 2qdk h GLU 79 N 0.31 0.43 -0.09 1.57 4.57 -1.33 -0.09 114.58 119.97 2qdk h GLU 79 Ca 0.09 -0.03 -0.21 0.00 -1.18 0.00 0.00 59.36 58.03 2qdk h GLU 79 Cb 0.36 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.86 2qdk h GLU 79 CO 0.01 0.30 -0.79 0.93 -1.18 0.00 0.00 179.01 178.27 2qdk h GLU 80 N 0.44 0.55 -0.85 1.92 5.08 -1.19 -1.15 114.58 119.36 2qdk h GLU 80 Ca 0.12 -0.47 -0.00 0.00 -1.00 0.00 0.00 59.36 58.01 2qdk h GLU 80 Cb -0.04 0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 2qdk h GLU 80 CO -0.02 1.10 0.53 -0.07 -1.00 0.00 0.00 179.01 179.54 2qdk h LEU 81 N 0.36 1.02 -0.90 1.33 3.38 -0.85 -2.15 115.31 117.50 2qdk h LEU 81 Ca -0.05 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 2qdk h LEU 81 Cb 1.40 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.85 2qdk h LEU 81 CO 0.15 0.77 0.51 0.00 0.09 0.00 0.00 178.44 179.96 2qdk h ALA 82 N 1.29 1.15 -0.53 1.53 0.00 -0.68 -0.49 119.26 121.53 2qdk h ALA 82 Ca 0.31 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.12 2qdk h ALA 82 Cb -0.07 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.33 2qdk h ALA 82 CO -0.06 0.64 0.35 1.96 0.00 0.00 0.00 179.25 182.15 2qdk h GLN 83 N 1.26 0.61 -0.00 0.00 4.20 -0.66 -1.53 115.11 118.99 2qdk h GLN 83 Ca 0.32 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.99 2qdk h GLN 83 Cb -0.00 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.64 2qdk h GLN 83 CO -0.05 0.41 -0.15 1.28 -0.67 0.00 0.00 178.83 179.64 2qdk n LEU 84 N -4.47 0.33 0.00 1.46 4.77 -0.77 -4.91 117.00 113.42 2qdk n LEU 84 Ca 0.06 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 2qdk n LEU 84 Cb 0.12 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 2qdk n LEU 84 CO 0.35 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 2qdk n GLY 85 N 1.38 1.02 3.74 -0.72 0.00 -0.57 -4.79 105.19 105.25 2qdk n GLY 85 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 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 3.58 0.00 -0.61 -1.09 -0.28 -4.51 121.20 116.29 2qdk s ILE 86 Ca 0.00 1.41 0.00 0.00 -2.23 0.00 0.00 60.65 59.83 2qdk s ILE 86 Cb 0.00 -3.90 0.00 0.00 -1.58 0.00 0.00 42.46 36.98 2qdk s ILE 86 CO 0.00 0.26 0.00 0.54 -1.23 0.00 0.00 174.94 174.51 2qdk n ARG 87 N 2.06 4.01 -4.39 2.79 5.12 0.35 -4.20 116.66 122.41 2qdk n ARG 87 Ca 0.02 0.00 -0.22 0.00 -1.93 0.00 0.00 57.85 55.72 2qdk n ARG 87 Cb 0.45 -0.53 -0.16 0.00 -1.16 0.00 0.00 32.46 31.06 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 -0.97 0.85 -0.10 0.55 2.01 -0.87 -0.74 115.64 116.36 2qdk s THR 88 Ca 0.00 -0.32 0.02 0.00 0.31 0.00 0.00 61.69 61.70 2qdk s THR 88 Cb 0.00 -0.80 0.01 0.00 0.01 0.00 0.00 72.50 71.72 2qdk s THR 88 CO 0.00 0.29 -0.16 -0.36 -0.69 0.00 0.00 174.62 173.70 2qdk s PHE 89 N 0.72 2.00 -0.29 4.92 0.40 0.73 -0.87 117.98 125.58 2qdk s PHE 89 Ca -0.12 -0.90 -0.01 0.00 -0.60 0.00 0.00 56.93 55.30 2qdk s PHE 89 Cb -0.15 -1.42 0.05 0.00 0.51 0.00 0.00 43.02 42.02 2qdk s PHE 89 CO 0.02 -0.44 -0.02 -0.51 0.70 0.00 0.00 175.22 174.97 2qdk s LEU 90 N 0.84 3.84 0.11 -0.37 1.43 -0.37 -1.28 118.68 122.88 2qdk s LEU 90 Ca -0.10 -1.33 -0.30 0.00 -1.03 0.00 0.00 54.13 51.37 2qdk s LEU 90 Cb -0.15 -1.68 -0.06 0.00 0.03 0.00 0.00 46.19 44.33 2qdk s LEU 90 CO 0.01 -0.25 1.06 -0.60 0.23 0.00 0.00 176.35 176.80 2qdk s ARG 91 N 1.21 4.58 -0.12 1.70 6.06 -0.17 -0.32 118.95 131.89 2qdk s ARG 91 Ca -0.05 1.61 0.01 0.00 -2.50 0.00 0.00 55.73 54.80 2qdk s ARG 91 Cb -0.20 -3.35 0.02 0.00 0.06 0.00 0.00 34.95 31.48 2qdk s ARG 91 CO -0.02 0.02 -0.15 -1.50 -2.50 0.00 0.00 175.30 171.15 2qdk s ILE 92 N 0.30 1.50 0.29 4.11 1.10 -1.19 -1.54 121.20 125.77 2qdk s ILE 92 Ca 0.51 -0.63 0.03 0.00 -0.51 0.00 0.00 60.65 60.05 2qdk s ILE 92 Cb -0.26 -1.38 -0.04 0.00 0.15 0.00 0.00 42.46 40.93 2qdk s ILE 92 CO 0.31 0.44 0.16 -0.83 -2.11 0.00 0.00 174.94 172.92 2qdk s GLY 93 N 1.10 1.96 0.13 1.50 0.00 -0.58 -4.17 107.32 107.27 2qdk s GLY 93 Ca -0.04 -1.79 0.10 0.00 0.00 0.00 0.00 44.72 42.99 2qdk s GLY 93 CO -0.04 -1.54 -0.20 -0.51 0.00 0.00 0.00 173.10 170.81 2qdk s THR 94 N -3.69 2.71 0.20 0.90 -4.23 -1.26 -1.58 115.64 108.68 2qdk s THR 94 Ca 0.37 -1.59 -0.14 0.00 -1.18 0.00 0.00 61.69 59.15 2qdk s THR 94 Cb 0.05 -2.24 0.01 0.00 1.34 0.00 0.00 72.50 71.66 2qdk s THR 94 CO 0.17 0.08 0.44 0.28 -0.54 0.00 0.00 174.62 175.06 2qdk s THR 95 N -1.18 0.03 0.21 3.99 -1.32 -0.01 -4.88 115.64 112.48 2qdk s THR 95 Ca 0.18 -1.11 -0.01 0.00 -1.21 0.00 0.00 61.69 59.54 2qdk s THR 95 Cb -0.10 -1.81 0.04 0.00 -1.51 0.00 0.00 72.50 69.12 2qdk s THR 95 CO 0.09 -0.15 0.28 0.61 -2.21 0.00 0.00 174.62 173.25 2qdk n GLY 96 N -0.31 0.49 3.04 6.08 0.00 -1.26 -0.59 105.19 112.64 2qdk n GLY 96 Ca -0.07 -1.94 -0.09 0.00 0.00 0.00 0.00 46.02 43.92 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 -3.01 0.37 -0.70 4.61 0.00 -0.88 -4.55 121.76 117.59 2qdk s ALA 97 Ca 0.18 -0.88 0.06 0.00 0.00 0.00 0.00 51.96 51.33 2qdk s ALA 97 Cb -0.01 0.18 0.08 0.00 0.00 0.00 0.00 23.12 23.37 2qdk s ALA 97 CO 0.12 -0.22 0.81 0.44 0.00 0.00 0.00 175.76 176.91 2qdk n ILE 98 N 0.95 0.26 -3.79 0.00 -5.35 -0.01 -3.56 119.36 107.85 2qdk n ILE 98 Ca -0.20 -0.63 -0.36 0.00 -0.27 0.00 0.00 62.75 61.29 2qdk n ILE 98 Cb 0.57 0.97 -0.07 0.00 -1.74 0.00 0.00 39.64 39.37 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 -0.64 3.78 0.47 6.28 -1.52 -1.24 -4.87 119.66 121.92 2qdk s GLN 99 Ca 0.09 -0.13 0.18 0.00 -1.95 0.00 0.00 55.36 53.54 2qdk s GLN 99 Cb 0.06 -3.29 1.16 0.00 -0.22 0.00 0.00 33.01 30.72 2qdk s GLN 99 CO 0.08 0.57 1.99 -1.00 -0.25 0.00 0.00 175.29 176.68 2qdk h PRO 100 N 5.69 0.24 -0.53 2.91 0.13 -1.94 -2.56 132.00 135.94 2qdk h PRO 100 Ca -0.49 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2qdk h PRO 100 Cb 1.20 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2qdk h PRO 100 CO 0.66 0.16 0.00 0.72 -0.23 0.00 0.00 178.00 179.31 2qdk n HIS 101 N -4.45 1.67 -3.57 1.56 8.25 -1.26 -4.81 115.22 112.61 2qdk n HIS 101 Ca 0.09 -0.72 -0.39 0.00 -0.26 0.00 0.00 57.72 56.44 2qdk n HIS 101 Cb 0.43 -0.39 -0.11 0.00 1.12 0.00 0.00 29.99 31.04 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 -2.47 5.26 0.11 1.59 1.01 -0.97 -5.08 121.20 120.66 2qdk s ILE 102 Ca 0.51 -0.03 0.00 0.00 0.00 0.00 0.00 60.65 61.13 2qdk s ILE 102 Cb 0.37 -3.60 -0.04 0.00 0.01 0.00 0.00 42.46 39.20 2qdk s ILE 102 CO 0.17 0.13 0.26 0.20 0.00 0.00 0.00 174.94 175.70 2qdk s ASN 103 N 1.74 6.37 0.23 3.58 0.01 -1.26 -4.88 114.94 120.73 2qdk s ASN 103 Ca 0.06 0.28 -0.31 0.00 -0.71 0.00 0.00 52.86 52.18 2qdk s ASN 103 Cb -0.17 -1.96 -0.14 0.00 0.41 0.00 0.00 41.25 39.40 2qdk s ASN 103 CO 0.11 0.10 1.38 0.52 -1.51 0.00 0.00 177.10 177.70 2qdk n VAL 104 N -0.08 0.94 0.00 1.60 0.31 -1.26 -1.22 118.33 118.62 2qdk n VAL 104 Ca -0.05 -0.23 0.00 0.00 -0.01 0.00 0.00 64.34 64.04 2qdk n VAL 104 Cb 0.52 -1.41 0.00 0.00 -0.91 0.00 0.00 33.84 32.04 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 2.15 3.46 3.75 2.92 0.00 0.95 -5.00 105.19 113.41 2qdk n GLY 105 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.89 4.15 -0.08 1.61 1.01 -0.36 -4.73 116.67 117.37 2qdk s ASP 106 Ca 0.00 1.80 0.01 0.00 0.71 0.00 0.00 52.55 55.07 2qdk s ASP 106 Cb 0.00 -2.47 -0.03 0.00 1.01 0.00 0.00 42.92 41.44 2qdk s ASP 106 CO 0.00 -2.26 -0.09 -0.69 0.21 0.00 0.00 175.17 172.34 2qdk s VAL 107 N -2.88 3.48 -0.13 -1.27 1.01 -0.02 -0.86 120.40 119.73 2qdk s VAL 107 Ca 0.62 -0.55 -0.00 0.00 0.00 0.00 0.00 61.98 62.05 2qdk s VAL 107 Cb -0.18 -2.43 -0.02 0.00 0.00 0.00 0.00 36.38 33.76 2qdk s VAL 107 CO 0.56 0.57 -0.12 -0.76 0.00 0.00 0.00 175.10 175.35 2qdk s LEU 108 N -0.47 2.76 -0.17 3.92 1.43 0.29 -0.49 118.68 125.94 2qdk s LEU 108 Ca 0.07 -0.31 -0.02 0.00 -1.03 0.00 0.00 54.13 52.84 2qdk s LEU 108 Cb -0.12 -1.62 -0.01 0.00 0.03 0.00 0.00 46.19 44.47 2qdk s LEU 108 CO 0.02 0.17 -0.10 -0.69 0.23 0.00 0.00 176.35 175.98 2qdk s VAL 109 N 0.34 3.13 -0.20 -1.59 1.01 0.16 -1.09 120.40 122.16 2qdk s VAL 109 Ca -0.10 -0.60 -0.18 0.00 0.00 0.00 0.00 61.98 61.10 2qdk s VAL 109 Cb -0.16 -2.37 -0.03 0.00 0.00 0.00 0.00 36.38 33.82 2qdk s VAL 109 CO 0.05 0.48 0.50 -0.89 0.00 0.00 0.00 175.10 175.25 2qdk s THR 110 N 0.91 5.12 0.02 3.92 2.01 -0.69 -1.90 115.64 125.03 2qdk s THR 110 Ca -0.02 0.91 0.06 0.00 0.31 0.00 0.00 61.69 62.95 2qdk s THR 110 Cb -0.15 -3.82 -0.24 0.00 0.01 0.00 0.00 72.50 68.30 2qdk s THR 110 CO 0.00 0.18 0.92 0.71 -0.69 0.00 0.00 174.62 175.74 2qdk h THR 111 N 5.12 1.22 -2.09 -0.82 1.35 -1.21 -3.40 112.91 113.08 2qdk h THR 111 Ca -0.34 -2.96 0.18 0.00 -0.55 0.00 0.00 66.41 62.75 2qdk h THR 111 Cb 1.15 2.66 -0.12 0.00 -1.73 0.00 0.00 68.15 70.11 2qdk h THR 111 CO 0.73 0.75 0.57 0.00 -0.25 0.00 0.00 175.52 177.33 2qdk s ALA 112 N -2.64 -1.85 0.04 6.62 0.00 -1.25 -0.57 121.76 122.10 2qdk s ALA 112 Ca -0.04 0.68 0.06 0.00 0.00 0.00 0.00 51.96 52.66 2qdk s ALA 112 Cb 0.08 0.44 -0.02 0.00 0.00 0.00 0.00 23.12 23.62 2qdk s ALA 112 CO 0.83 -0.87 -0.18 -1.12 0.00 0.00 0.00 175.76 174.42 2qdk s SER 113 N -2.71 2.09 0.03 0.00 0.01 0.09 -1.89 113.70 111.31 2qdk s SER 113 Ca 0.10 -0.47 -0.30 0.00 1.31 0.00 0.00 55.95 56.58 2qdk s SER 113 Cb -0.00 -0.17 -0.06 0.00 0.21 0.00 0.00 66.02 66.00 2qdk s SER 113 CO -0.03 0.11 1.40 -0.69 0.41 0.00 0.00 173.24 174.44 2qdk s VAL 114 N -0.78 3.61 -1.13 3.43 1.01 0.20 -4.37 120.40 122.38 2qdk s VAL 114 Ca 0.05 1.05 -0.16 0.00 0.00 0.00 0.00 61.98 62.91 2qdk s VAL 114 Cb -0.08 -3.67 0.14 0.00 0.00 0.00 0.00 36.38 32.76 2qdk s VAL 114 CO 0.01 0.02 1.39 -0.13 0.00 0.00 0.00 175.10 176.39 2qdk s ARG 115 N 2.12 3.91 -0.51 2.72 0.52 -1.26 -1.60 118.95 124.84 2qdk s ARG 115 Ca 0.64 -2.18 0.02 0.00 -0.52 0.00 0.00 55.73 53.70 2qdk s ARG 115 Cb -0.33 -5.11 0.55 0.00 0.52 0.00 0.00 34.95 30.59 2qdk s ARG 115 CO 0.28 -1.86 1.86 1.28 0.02 0.00 0.00 175.30 176.88 2qdk n LEU 116 N 6.48 6.70 -4.67 2.53 4.77 -0.23 -4.94 117.00 127.64 2qdk n LEU 116 Ca 0.34 -3.98 -0.30 0.00 -0.03 0.00 0.00 56.01 52.04 2qdk n LEU 116 Cb 0.46 -0.84 -0.08 0.00 -2.33 0.00 0.00 43.42 40.63 2qdk n LEU 116 CO 0.61 1.32 -0.24 1.51 -1.33 0.00 0.00 177.39 179.26 2qdk s ASP 117 N -1.82 3.65 -0.15 -1.43 3.84 -1.21 -1.76 116.67 117.80 2qdk s ASP 117 Ca 0.58 -1.64 0.08 0.00 -0.00 0.00 0.00 52.55 51.57 2qdk s ASP 117 Cb 0.48 0.46 -0.15 0.00 -1.38 0.00 0.00 42.92 42.33 2qdk s ASP 117 CO 0.04 -0.85 -0.04 0.61 -0.00 0.00 0.00 175.17 174.93 2qdk n GLY 118 N -1.12 -0.49 0.24 2.12 0.00 -1.26 -4.68 105.19 100.00 2qdk n GLY 118 Ca -0.14 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 0.39 1.34 -0.71 4.61 0.00 -1.98 -2.46 119.26 120.44 2qdk h ALA 119 Ca -0.38 -0.26 0.09 0.00 0.00 0.00 0.00 54.91 54.37 2qdk h ALA 119 Cb 1.74 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 19.37 2qdk h ALA 119 CO -0.01 0.45 0.47 0.66 0.00 0.00 0.00 179.25 180.81 2qdk h SER 120 N 0.34 0.55 0.52 0.00 4.64 -1.85 0.00 113.55 117.75 2qdk h SER 120 Ca 0.06 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 2qdk h SER 120 Cb 0.47 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 2qdk h SER 120 CO 0.03 0.33 0.00 0.18 -0.87 0.00 0.00 176.83 176.50 2qdk n LEU 121 N -4.49 0.37 -0.04 5.97 4.77 -0.93 -1.18 117.00 121.47 2qdk n LEU 121 Ca 0.12 0.60 0.14 0.00 -0.03 0.00 0.00 56.01 56.84 2qdk n LEU 121 Cb 0.33 -0.57 0.68 0.00 -2.33 0.00 0.00 43.42 41.53 2qdk n LEU 121 CO 0.33 -0.48 0.94 1.41 -1.33 0.00 0.00 177.39 178.26 2qdk n HIS 122 N -1.92 0.00 -0.02 -1.77 8.25 -0.01 -4.02 115.22 115.73 2qdk n HIS 122 Ca 0.02 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.46 2qdk n HIS 122 Cb 0.17 -0.26 -0.03 0.00 1.12 0.00 0.00 29.99 31.00 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 -1.18 0.00 -3.56 4.41 3.01 -0.33 -5.08 117.46 114.74 2qdk n PHE 123 Ca 0.14 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.42 2qdk n PHE 123 Cb 0.26 -0.17 -0.06 0.00 -0.01 0.00 0.00 39.48 39.50 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 -2.09 -1.64 0.84 4.37 0.00 -0.79 -5.00 121.76 117.46 2qdk s ALA 124 Ca -0.02 1.21 -0.10 0.00 0.00 0.00 0.00 51.96 53.04 2qdk s ALA 124 Cb 0.01 -0.02 0.10 0.00 0.00 0.00 0.00 23.12 23.20 2qdk s ALA 124 CO 0.14 -0.35 1.11 -1.25 0.00 0.00 0.00 175.76 175.41 2qdk s PRO 125 N -1.16 1.69 0.52 0.00 0.04 -1.26 -3.97 135.00 130.85 2qdk s PRO 125 Ca -0.11 1.28 0.27 0.00 0.04 0.00 0.00 61.00 62.48 2qdk s PRO 125 Cb -0.01 -1.82 1.38 0.00 0.04 0.00 0.00 34.50 34.09 2qdk s PRO 125 CO 0.09 -2.07 1.92 1.98 0.04 0.00 0.00 177.00 178.96 2qdk h MET 126 N -1.45 0.07 -0.02 4.56 4.05 -1.94 -1.34 114.93 118.85 2qdk h MET 126 Ca -0.44 -0.00 0.01 0.00 -0.28 0.00 0.00 59.70 58.98 2qdk h MET 126 Cb 1.25 -0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 32.03 2qdk h MET 126 CO 0.48 0.05 0.02 0.93 0.23 0.00 0.00 176.91 178.62 2qdk h GLU 127 N 0.07 0.00 -6.65 0.39 3.07 -2.03 -3.43 114.58 106.00 2qdk h GLU 127 Ca 0.37 0.00 -0.51 0.00 -0.50 0.00 0.00 59.36 58.72 2qdk h GLU 127 Cb 1.36 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.26 2qdk h GLU 127 CO -0.03 0.00 0.42 0.12 -1.40 0.00 0.00 179.01 178.12 2qdk s PHE 128 N -4.61 3.73 0.08 4.33 2.19 -0.51 -5.00 117.98 118.19 2qdk s PHE 128 Ca -0.05 1.73 -0.30 0.00 0.33 0.00 0.00 56.93 58.64 2qdk s PHE 128 Cb 0.15 -3.15 -0.05 0.00 -1.31 0.00 0.00 43.02 38.66 2qdk s PHE 128 CO 0.54 -0.15 1.01 -1.25 1.83 0.00 0.00 175.22 177.20 2qdk s PRO 129 N -0.42 4.62 -1.42 10.12 0.04 -1.26 -4.94 135.00 141.74 2qdk s PRO 129 Ca 0.47 1.50 -0.14 0.00 0.04 0.00 0.00 61.00 62.87 2qdk s PRO 129 Cb -0.27 -3.39 0.06 0.00 0.04 0.00 0.00 34.50 30.94 2qdk s PRO 129 CO 0.33 0.07 2.11 0.00 0.04 0.00 0.00 177.00 179.55 2qdk n ALA 130 N 3.20 5.18 -2.70 8.56 0.00 -1.26 -4.75 120.51 128.74 2qdk n ALA 130 Ca 0.04 -3.91 -0.34 0.00 0.00 0.00 0.00 53.44 49.23 2qdk n ALA 130 Cb 0.49 -3.50 -0.09 0.00 0.00 0.00 0.00 19.45 16.35 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 3.13 4.39 0.55 0.00 0.11 -1.26 -0.74 120.40 126.58 2qdk s VAL 131 Ca 0.48 -0.32 -0.15 0.00 -2.93 0.00 0.00 61.98 59.06 2qdk s VAL 131 Cb 0.12 -2.89 -0.07 0.00 -1.53 0.00 0.00 36.38 32.01 2qdk s VAL 131 CO -0.05 0.53 1.00 0.00 -3.33 0.00 0.00 175.10 173.25 2qdk s ALA 132 N -0.97 3.08 0.41 1.54 0.00 0.26 -4.68 121.76 121.40 2qdk s ALA 132 Ca 0.16 0.09 -0.25 0.00 0.00 0.00 0.00 51.96 51.95 2qdk s ALA 132 Cb -0.11 -3.10 -0.08 0.00 0.00 0.00 0.00 23.12 19.82 2qdk s ALA 132 CO 0.05 -0.39 1.23 0.34 0.00 0.00 0.00 175.76 176.99 2qdk s ASP 133 N -3.46 6.40 0.16 0.00 -1.08 0.30 -4.94 116.67 114.05 2qdk s ASP 133 Ca 0.57 2.49 -0.04 0.00 -0.52 0.00 0.00 52.55 55.05 2qdk s ASP 133 Cb -0.10 -2.62 0.01 0.00 -1.46 0.00 0.00 42.92 38.74 2qdk s ASP 133 CO 0.39 -0.77 1.40 0.15 0.52 0.00 0.00 175.17 176.86 2qdk h PHE 134 N 2.63 0.64 -0.80 -5.34 3.57 -1.96 -1.96 116.94 113.72 2qdk h PHE 134 Ca -0.49 -0.29 -0.02 0.00 3.53 0.00 0.00 57.97 60.70 2qdk h PHE 134 Cb 1.24 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.85 2qdk h PHE 134 CO 0.54 1.06 0.41 0.00 -2.23 0.00 0.00 178.31 178.10 2qdk h ALA 135 N 0.86 1.03 -0.22 2.41 0.00 -1.96 0.02 119.26 121.40 2qdk h ALA 135 Ca -0.04 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 2qdk h ALA 135 Cb 1.34 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 2qdk h ALA 135 CO 0.13 0.56 0.04 0.00 0.00 0.00 0.00 179.25 179.99 2qdk h THR 137 N 0.17 1.24 -0.13 0.00 2.02 -1.21 -0.76 112.91 114.25 2qdk h THR 137 Ca 0.07 -0.69 0.00 0.00 0.77 0.00 0.00 66.41 66.56 2qdk h THR 137 Cb 0.31 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 2qdk h THR 137 CO 0.00 0.28 0.08 0.74 0.37 0.00 0.00 175.52 176.99 2qdk h THR 138 N 1.00 1.02 -0.98 3.16 2.02 -0.90 -0.52 112.91 117.71 2qdk h THR 138 Ca 0.24 -0.05 0.01 0.00 0.77 0.00 0.00 66.41 67.38 2qdk h THR 138 Cb 0.14 0.85 -0.05 0.00 -1.74 0.00 0.00 68.15 67.35 2qdk h THR 138 CO -0.03 0.03 0.64 0.00 0.37 0.00 0.00 175.52 176.53 2qdk h ALA 139 N 1.05 1.24 -0.37 6.16 0.00 -0.78 -0.40 119.26 126.16 2qdk h ALA 139 Ca 0.05 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 2qdk h ALA 139 Cb -0.01 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 17.37 2qdk h ALA 139 CO -0.02 0.64 0.03 -0.07 0.00 0.00 0.00 179.25 179.83 2qdk h LEU 140 N 1.33 0.61 -0.56 0.00 3.38 -0.81 -0.49 115.31 118.76 2qdk h LEU 140 Ca 0.36 -0.29 -0.13 0.00 0.09 0.00 0.00 57.88 57.91 2qdk h LEU 140 Cb -0.14 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 2qdk h LEU 140 CO -0.08 0.74 -0.21 0.58 0.09 0.00 0.00 178.44 179.57 2qdk h VAL 141 N 0.45 1.27 -0.20 1.22 2.07 -0.83 -0.45 116.25 119.78 2qdk h VAL 141 Ca 0.11 -1.36 -0.13 0.00 0.82 0.00 0.00 66.70 66.14 2qdk h VAL 141 Cb 0.42 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 2qdk h VAL 141 CO 0.01 0.47 -0.42 -0.33 0.02 0.00 0.00 177.57 177.32 2qdk h GLU 142 N 0.81 0.47 -0.42 1.57 5.08 -1.01 -2.11 114.58 118.96 2qdk h GLU 142 Ca 0.11 -0.24 -0.11 0.00 -1.00 0.00 0.00 59.36 58.12 2qdk h GLU 142 Cb 0.77 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 2qdk h GLU 142 CO 0.06 0.81 -0.15 0.00 -1.00 0.00 0.00 179.01 178.73 2qdk h ALA 143 N 1.16 0.58 -0.92 3.43 0.00 -0.83 -2.21 119.26 120.47 2qdk h ALA 143 Ca 0.03 -0.35 0.05 0.00 0.00 0.00 0.00 54.91 54.64 2qdk h ALA 143 Cb 0.90 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.49 2qdk h ALA 143 CO 0.08 0.51 0.59 0.00 0.00 0.00 0.00 179.25 180.43 2qdk h ALA 144 N 0.84 1.24 -0.32 0.00 0.00 -0.92 -2.50 119.26 117.60 2qdk h ALA 144 Ca 0.10 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 2qdk h ALA 144 Cb 0.70 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2qdk h ALA 144 CO 0.05 0.42 -0.27 0.87 0.00 0.00 0.00 179.25 180.32 2qdk h LYS 145 N 1.12 0.66 0.00 0.00 1.57 -1.28 -2.27 116.57 116.37 2qdk h LYS 145 Ca 0.38 -0.28 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 2qdk h LYS 145 Cb 0.07 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.35 2qdk h LYS 145 CO -0.14 0.86 0.00 -1.13 -0.57 0.00 0.00 179.45 178.47 2qdk n SER 146 N -4.09 0.46 -0.01 0.86 3.41 -0.84 -1.76 113.62 111.64 2qdk n SER 146 Ca -0.00 0.64 0.01 0.00 -0.26 0.00 0.00 58.87 59.26 2qdk n SER 146 Cb 0.45 -0.73 0.01 0.00 -0.26 0.00 0.00 64.21 63.68 2qdk n SER 146 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 2qdk n ILE 147 N -2.04 1.05 -2.03 -1.33 -5.35 -1.16 -5.02 119.36 103.47 2qdk n ILE 147 Ca 0.01 -1.09 -0.12 0.00 -0.27 0.00 0.00 62.75 61.28 2qdk n ILE 147 Cb 0.15 0.45 -0.02 0.00 -1.74 0.00 0.00 39.64 38.48 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 -0.57 0.20 3.76 3.28 0.00 -0.72 -5.01 105.19 106.13 2qdk n GLY 148 Ca 0.02 -0.38 -0.34 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.58 2.50 -0.42 4.61 0.00 -0.88 -4.98 121.76 120.00 2qdk s ALA 149 Ca 0.00 0.75 -0.26 0.00 0.00 0.00 0.00 51.96 52.44 2qdk s ALA 149 Cb 0.00 -3.37 0.02 0.00 0.00 0.00 0.00 23.12 19.77 2qdk s ALA 149 CO 0.00 -1.19 0.96 0.99 0.00 0.00 0.00 175.76 176.51 2qdk s THR 150 N -2.01 4.49 -0.11 0.00 2.01 -1.26 -4.78 115.64 113.97 2qdk s THR 150 Ca 0.71 1.01 0.01 0.00 0.31 0.00 0.00 61.69 63.73 2qdk s THR 150 Cb -0.24 -4.41 -0.02 0.00 0.01 0.00 0.00 72.50 67.84 2qdk s THR 150 CO 0.36 -0.73 -0.14 -0.89 -0.69 0.00 0.00 174.62 172.54 2qdk s THR 151 N 3.72 3.02 -0.12 -0.82 2.01 -1.26 -0.84 115.64 121.36 2qdk s THR 151 Ca 0.39 -0.69 0.00 0.00 0.31 0.00 0.00 61.69 61.70 2qdk s THR 151 Cb -0.11 -2.24 -0.01 0.00 0.01 0.00 0.00 72.50 70.15 2qdk s THR 151 CO 0.24 0.54 -0.14 -1.00 -0.69 0.00 0.00 174.62 173.57 2qdk s HIS 152 N 0.06 2.79 -0.15 4.92 3.76 0.36 -4.97 115.29 122.06 2qdk s HIS 152 Ca -0.05 -0.62 0.02 0.00 -0.15 0.00 0.00 55.06 54.25 2qdk s HIS 152 Cb -0.15 -1.82 0.01 0.00 1.11 0.00 0.00 32.58 31.74 2qdk s HIS 152 CO 0.04 -0.19 -0.19 0.08 -0.85 0.00 0.00 174.74 173.64 2qdk s VAL 153 N 0.25 2.27 -2.30 -0.90 1.01 -1.26 -0.66 120.40 118.81 2qdk s VAL 153 Ca -0.09 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 60.98 2qdk s VAL 153 Cb -0.16 -1.93 0.00 0.00 0.00 0.00 0.00 36.38 34.29 2qdk s VAL 153 CO 0.05 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.30 2qdk n GLY 154 N 4.12 -0.59 3.83 4.51 0.00 -0.80 -4.95 105.19 111.32 2qdk n GLY 154 Ca -0.20 -0.68 -0.38 0.00 0.00 0.00 0.00 46.02 44.77 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 -3.46 5.08 0.07 1.61 1.01 -1.26 -0.61 120.40 122.83 2qdk s VAL 155 Ca 0.00 0.79 0.09 0.00 0.00 0.00 0.00 61.98 62.85 2qdk s VAL 155 Cb 0.00 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.66 2qdk s VAL 155 CO 0.00 0.56 -0.22 -0.89 0.00 0.00 0.00 175.10 174.56 2qdk s THR 156 N -0.95 2.55 -0.24 3.92 2.01 -0.80 -0.63 115.64 121.52 2qdk s THR 156 Ca 0.23 -1.37 -0.10 0.00 0.31 0.00 0.00 61.69 60.75 2qdk s THR 156 Cb -0.16 -2.08 -0.05 0.00 0.01 0.00 0.00 72.50 70.22 2qdk s THR 156 CO 0.12 0.27 0.16 0.00 -0.69 0.00 0.00 174.62 174.48 2qdk s ALA 157 N -0.95 3.62 -0.30 7.40 0.00 0.10 -0.63 121.76 131.01 2qdk s ALA 157 Ca 0.14 -0.87 -0.02 0.00 0.00 0.00 0.00 51.96 51.22 2qdk s ALA 157 Cb -0.10 -2.31 0.04 0.00 0.00 0.00 0.00 23.12 20.75 2qdk s ALA 157 CO 0.05 -0.16 0.00 0.45 0.00 0.00 0.00 175.76 176.11 2qdk s SER 158 N 0.99 4.85 -0.07 0.00 0.15 -0.63 -1.52 113.70 117.47 2qdk s SER 158 Ca 0.08 -1.18 0.01 0.00 0.70 0.00 0.00 55.95 55.55 2qdk s SER 158 Cb -0.13 -1.72 -0.03 0.00 -1.71 0.00 0.00 66.02 62.43 2qdk s SER 158 CO 0.04 -0.24 -0.06 -0.55 1.20 0.00 0.00 173.24 173.62 2qdk s SER 159 N 1.28 4.69 0.00 5.45 0.15 0.46 -1.06 113.70 124.67 2qdk s SER 159 Ca -0.04 -0.01 0.21 0.00 0.70 0.00 0.00 55.95 56.81 2qdk s SER 159 Cb -0.19 -1.19 0.98 0.00 -1.71 0.00 0.00 66.02 63.90 2qdk s SER 159 CO -0.01 0.36 1.67 0.47 1.20 0.00 0.00 173.24 176.93 2qdk n ASP 160 N 2.22 0.00 -4.20 5.45 10.43 -0.72 -4.31 116.55 125.42 2qdk n ASP 160 Ca -0.18 0.24 -0.15 0.00 2.57 0.00 0.00 54.79 57.27 2qdk n ASP 160 Cb 0.53 -0.39 -0.11 0.00 1.84 0.00 0.00 41.12 42.99 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 -2.78 1.06 0.05 -3.53 -4.23 -1.26 -5.02 115.64 99.92 2qdk s THR 161 Ca 0.15 -1.69 0.09 0.00 -1.18 0.00 0.00 61.69 59.07 2qdk s THR 161 Cb 0.14 -1.44 -0.19 0.00 1.34 0.00 0.00 72.50 72.36 2qdk s THR 161 CO 0.35 -0.54 1.13 0.15 -0.54 0.00 0.00 174.62 175.18 2qdk h PHE 162 N 3.49 0.00 0.00 3.99 3.04 -1.97 -3.39 116.94 122.10 2qdk h PHE 162 Ca -0.38 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.57 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 0.64 0.93 0.00 0.66 -2.02 0.00 0.00 178.31 178.52 2qdk n TYR 163 N -3.25 0.00 0.12 0.41 4.02 -1.26 -4.39 117.16 112.81 2qdk n TYR 163 Ca -0.04 0.00 -0.00 0.00 -0.01 0.00 0.00 57.90 57.85 2qdk n TYR 163 Cb 0.94 0.00 0.28 0.00 -0.02 0.00 0.00 39.34 40.54 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 0.17 0.00 -0.72 0.13 -1.87 -1.04 132.00 128.67 2qdk h PRO 164 Ca 0.00 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 2qdk h PRO 164 Cb 0.00 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.12 2qdk h PRO 164 CO 0.00 0.52 0.00 0.78 -0.23 0.00 0.00 178.00 179.07 2qdk h GLY 165 N 1.14 0.00 -1.88 1.56 0.00 -1.86 -0.30 103.07 101.74 2qdk h GLY 165 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 2qdk h GLY 165 CO 0.05 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.53 2qdk n GLN 166 N -2.59 3.21 -4.05 4.80 6.02 -0.73 -4.94 117.38 119.10 2qdk n GLN 166 Ca 0.01 -2.79 -0.31 0.00 -0.01 0.00 0.00 57.00 53.90 2qdk n GLN 166 Cb 0.20 -1.83 -0.01 0.00 1.02 0.00 0.00 30.24 29.63 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 -0.15 -3.83 -3.06 -1.09 2.13 -0.12 -4.92 120.64 109.60 2qdk n GLU 167 Ca 0.21 0.44 -0.40 0.00 0.66 0.00 0.00 57.16 58.08 2qdk n GLU 167 Cb 0.87 -5.03 -0.05 0.00 0.27 0.00 0.00 31.44 27.51 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 -6.71 4.41 0.00 5.31 0.52 -0.47 -4.95 118.95 117.07 2qdk s ARG 168 Ca 0.47 0.84 0.17 0.00 -0.52 0.00 0.00 55.73 56.70 2qdk s ARG 168 Cb -0.25 -3.46 -0.04 0.00 0.52 0.00 0.00 34.95 31.72 2qdk s ARG 168 CO 0.89 0.04 0.84 0.66 0.02 0.00 0.00 175.30 177.75 2qdk n TYR 169 N 3.89 0.00 -1.81 -0.53 4.02 -1.26 -4.40 117.16 117.07 2qdk n TYR 169 Ca -0.01 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.46 2qdk n TYR 169 Cb 0.51 0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 39.83 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 -0.34 4.89 -4.03 7.72 5.75 -1.26 -4.22 116.55 125.06 2qdk n ASP 170 Ca 0.06 -2.87 -0.13 0.00 -0.01 0.00 0.00 54.79 51.84 2qdk n ASP 170 Cb 0.33 -1.60 -0.09 0.00 -1.03 0.00 0.00 41.12 38.73 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 2.34 0.00 0.19 2.12 -4.23 -1.26 -5.02 115.64 109.77 2qdk s THR 171 Ca 0.49 -1.94 -0.16 0.00 -1.18 0.00 0.00 61.69 58.89 2qdk s THR 171 Cb 0.14 -2.48 0.16 0.00 1.34 0.00 0.00 72.50 71.65 2qdk s THR 171 CO -0.07 0.00 1.64 0.22 -0.54 0.00 0.00 174.62 175.87 2qdk h TYR 172 N 2.50 -0.38 0.00 3.99 5.03 -1.99 -2.84 116.97 123.29 2qdk h TYR 172 Ca -0.33 0.05 -0.22 0.00 2.58 0.00 0.00 58.73 60.80 2qdk h TYR 172 Cb 1.25 0.25 -0.04 0.00 1.55 0.00 0.00 36.73 39.74 2qdk h TYR 172 CO 0.58 -0.26 -1.30 0.66 -1.32 0.00 0.00 178.16 176.53 2qdk h SER 173 N -0.05 0.00 -0.21 -2.11 4.64 -1.97 -3.47 113.55 110.38 2qdk h SER 173 Ca 0.24 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.47 2qdk h SER 173 Cb 0.42 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.47 2qdk h SER 173 CO -0.54 0.87 -0.08 0.61 -0.87 0.00 0.00 176.83 176.81 2qdk n GLY 174 N 1.43 0.63 3.51 -0.77 0.00 -1.07 -4.99 105.19 103.93 2qdk n GLY 174 Ca -0.08 -0.21 -0.32 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.80 2.37 -0.09 1.61 3.52 -1.26 -4.92 118.95 118.38 2qdk s ARG 175 Ca 0.00 -0.81 0.03 0.00 -0.13 0.00 0.00 55.73 54.82 2qdk s ARG 175 Cb 0.00 -2.36 0.01 0.00 -1.56 0.00 0.00 34.95 31.04 2qdk s ARG 175 CO 0.00 0.59 -0.19 0.08 -0.81 0.00 0.00 175.30 174.96 2qdk s VAL 176 N -0.90 1.71 0.62 7.11 1.01 -1.26 -4.91 120.40 123.78 2qdk s VAL 176 Ca 0.15 -0.81 -0.18 0.00 0.00 0.00 0.00 61.98 61.14 2qdk s VAL 176 Cb -0.11 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 2qdk s VAL 176 CO 0.05 0.48 1.06 0.55 0.00 0.00 0.00 175.10 177.24 2qdk n VAL 177 N 3.69 4.10 -0.31 2.92 3.14 -1.26 -4.55 118.33 126.06 2qdk n VAL 177 Ca -0.20 -0.50 0.15 0.00 -2.96 0.00 0.00 64.34 60.83 2qdk n VAL 177 Cb 0.52 -1.25 0.33 0.00 -1.06 0.00 0.00 33.84 32.39 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 0.48 0.30 -0.89 1.45 2.43 -2.00 0.16 114.38 116.30 2qdk h ARG 178 Ca -0.49 -0.02 0.16 0.00 -0.81 0.00 0.00 59.98 58.82 2qdk h ARG 178 Cb 1.36 -0.07 -0.07 0.00 -0.42 0.00 0.00 29.97 30.77 2qdk h ARG 178 CO 0.51 0.20 0.58 -0.09 -1.51 0.00 0.00 179.97 179.66 2qdk h ARG 179 N 0.31 0.59 -0.01 0.20 2.43 -2.02 -2.47 114.38 113.41 2qdk h ARG 179 Ca 0.59 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.72 2qdk h ARG 179 Cb 1.20 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.61 2qdk h ARG 179 CO -0.60 0.39 -0.44 1.19 -1.51 0.00 0.00 179.97 179.01 2qdk n PHE 180 N -4.56 0.00 -1.94 2.20 3.01 0.49 -4.76 117.46 111.91 2qdk n PHE 180 Ca 0.18 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.22 2qdk n PHE 180 Cb 0.53 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.97 2qdk n PHE 180 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 2qdk s LYS 181 N -2.10 4.19 0.00 -1.08 1.02 -0.73 -1.90 119.74 119.13 2qdk s LYS 181 Ca 0.12 2.30 0.00 0.00 0.02 0.00 0.00 55.97 58.41 2qdk s LYS 181 Cb 0.13 -3.82 0.00 0.00 -0.52 0.00 0.00 37.83 33.62 2qdk s LYS 181 CO 0.48 -0.80 0.00 0.41 -0.92 0.00 0.00 175.35 174.52 2qdk n GLY 182 N 4.11 0.85 0.27 -3.33 0.00 -1.26 -4.93 105.19 100.89 2qdk n GLY 182 Ca 0.17 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.08 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 0.92 -0.79 1.61 4.64 -1.68 -2.97 113.55 115.28 2qdk h SER 183 Ca 0.00 -0.37 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 2qdk h SER 183 Cb 0.00 -0.25 -0.04 0.00 -0.31 0.00 0.00 62.40 61.80 2qdk h SER 183 CO 0.00 1.14 0.50 -0.03 -0.87 0.00 0.00 176.83 177.57 2qdk h MET 184 N 0.74 1.06 -0.97 4.77 -1.53 -1.91 -0.59 114.93 116.50 2qdk h MET 184 Ca 0.08 -0.08 0.02 0.00 -3.44 0.00 0.00 59.70 56.28 2qdk h MET 184 Cb 0.85 -0.23 -0.05 0.00 -0.55 0.00 0.00 31.60 31.62 2qdk h MET 184 CO 0.08 0.73 0.64 1.49 0.14 0.00 0.00 176.91 179.98 2qdk h GLU 185 N 1.08 1.26 -0.10 0.39 4.22 -1.96 -0.11 114.58 119.36 2qdk h GLU 185 Ca 0.29 -0.08 -0.01 0.00 0.08 0.00 0.00 59.36 59.64 2qdk h GLU 185 Cb -0.08 -0.28 -0.00 0.00 0.50 0.00 0.00 28.75 28.88 2qdk h GLU 185 CO -0.06 0.83 0.03 0.93 -2.18 0.00 0.00 179.01 178.56 2qdk h GLU 186 N 1.29 0.16 -0.76 1.92 5.08 -1.14 -1.25 114.58 119.89 2qdk h GLU 186 Ca 0.36 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.66 2qdk h GLU 186 Cb -0.12 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.08 2qdk h GLU 186 CO -0.09 0.33 0.36 -1.49 -1.00 0.00 0.00 179.01 177.12 2qdk h TRP 187 N -0.03 1.09 -0.31 4.33 -0.00 -0.88 -1.99 115.95 118.16 2qdk h TRP 187 Ca 0.03 -0.05 0.03 0.00 -0.00 0.00 0.00 58.89 58.90 2qdk h TRP 187 Cb 0.24 -0.34 -0.03 0.00 -0.00 0.00 0.00 29.16 29.03 2qdk h TRP 187 CO 0.00 0.79 0.12 0.37 -0.00 0.00 0.00 178.44 179.73 2qdk h GLN 188 N 1.08 0.25 0.00 0.49 4.15 -0.82 -1.30 115.11 118.97 2qdk h GLN 188 Ca 0.26 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.65 2qdk h GLN 188 Cb 0.12 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 27.75 2qdk h GLN 188 CO -0.03 0.17 -0.10 0.00 -1.93 0.00 0.00 178.83 176.93 2qdk h ALA 189 N 1.19 1.24 -0.07 3.38 0.00 -0.79 -1.71 119.26 122.49 2qdk h ALA 189 Ca 0.14 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2qdk h ALA 189 Cb 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2qdk h ALA 189 CO -0.13 0.13 0.00 -1.33 0.00 0.00 0.00 179.25 177.92 2qdk n MET 190 N -3.56 1.60 -0.77 0.00 2.81 -0.70 -4.94 117.12 111.56 2qdk n MET 190 Ca -0.02 -0.89 0.00 0.00 -1.81 0.00 0.00 57.70 54.98 2qdk n MET 190 Cb 0.23 -1.44 0.00 0.00 -0.71 0.00 0.00 33.22 31.31 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 1.12 0.60 3.74 3.03 0.00 -0.64 -5.02 105.19 108.01 2qdk n GLY 191 Ca 0.18 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.00 2.52 0.05 1.61 1.01 -0.58 -4.60 120.40 118.42 2qdk s VAL 192 Ca 0.00 0.41 -0.11 0.00 0.00 0.00 0.00 61.98 62.28 2qdk s VAL 192 Cb 0.00 -3.26 -0.32 0.00 0.00 0.00 0.00 36.38 32.80 2qdk s VAL 192 CO 0.00 0.05 1.07 0.24 0.00 0.00 0.00 175.10 176.46 2qdk h MET 193 N 5.66 0.45 -2.27 2.72 0.00 -1.20 -3.41 114.93 116.88 2qdk h MET 193 Ca -0.45 -0.74 0.16 0.00 0.00 0.00 0.00 59.70 58.67 2qdk h MET 193 Cb 1.21 0.27 -0.11 0.00 0.00 0.00 0.00 31.60 32.98 2qdk h MET 193 CO 0.83 1.35 0.51 0.54 0.00 0.00 0.00 176.91 180.14 2qdk s ASN 194 N -7.41 -0.23 -0.05 1.22 4.22 -1.26 -0.83 114.94 110.60 2qdk s ASN 194 Ca -0.07 -0.25 -0.02 0.00 -2.14 0.00 0.00 52.86 50.38 2qdk s ASN 194 Cb 0.05 0.43 -0.04 0.00 1.28 0.00 0.00 41.25 42.98 2qdk s ASN 194 CO 0.92 -0.77 0.06 -0.31 -2.04 0.00 0.00 177.10 174.96 2qdk s TYR 195 N -3.18 3.28 0.00 1.54 2.02 -1.26 0.01 117.35 119.76 2qdk s TYR 195 Ca 0.10 0.24 0.00 0.00 -0.37 0.00 0.00 57.07 57.04 2qdk s TYR 195 Cb -0.01 -1.78 0.00 0.00 -0.40 0.00 0.00 41.96 39.77 2qdk s TYR 195 CO -0.02 0.55 0.00 -0.85 -1.57 0.00 0.00 175.55 173.66 2qdk n GLU 196 N 1.63 0.00 0.00 -0.62 -0.00 -0.57 -4.53 120.64 116.54 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 -0.32 0.00 3.44 2.81 -1.26 -0.41 117.12 121.38 2qdk n MET 197 Ca 0.00 -0.35 0.00 0.00 -1.81 0.00 0.00 57.70 55.54 2qdk n MET 197 Cb 0.00 -0.84 0.00 0.00 -0.71 0.00 0.00 33.22 31.67 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 -0.05 0.63 0.10 0.03 4.71 -1.26 -3.42 120.64 121.36 2qdk n GLU 198 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 57.16 57.10 2qdk n GLU 198 Cb 0.06 -0.99 0.11 0.00 -1.01 0.00 0.00 31.44 29.61 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 0.21 -0.64 1.62 4.64 -1.94 -2.02 113.55 115.42 2qdk h SER 199 Ca 0.00 -0.13 0.02 0.00 -0.47 0.00 0.00 61.79 61.21 2qdk h SER 199 Cb 0.12 -0.06 -0.04 0.00 -0.31 0.00 0.00 62.40 62.11 2qdk h SER 199 CO 0.00 0.80 0.41 0.00 -0.87 0.00 0.00 176.83 177.16 2qdk h ALA 200 N 1.20 0.82 0.01 5.18 0.00 -1.87 0.10 119.26 124.71 2qdk h ALA 200 Ca -0.01 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2qdk h ALA 200 Cb 1.17 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2qdk h ALA 200 CO 0.10 0.19 -0.01 1.15 0.00 0.00 0.00 179.25 180.67 2qdk h THR 201 N 0.81 1.25 -0.10 0.00 2.02 -1.87 -2.06 112.91 112.97 2qdk h THR 201 Ca 0.25 -0.80 0.03 0.00 0.77 0.00 0.00 66.41 66.66 2qdk h THR 201 Cb -0.03 1.79 -0.04 0.00 -1.74 0.00 0.00 68.15 68.13 2qdk h THR 201 CO -0.08 0.21 -0.12 0.25 0.37 0.00 0.00 175.52 176.15 2qdk h LEU 202 N -0.36 -0.37 -0.43 2.58 5.85 -1.17 -1.27 115.31 120.13 2qdk h LEU 202 Ca -0.00 0.07 -0.14 0.00 0.84 0.00 0.00 57.88 58.65 2qdk h LEU 202 Cb 0.35 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 2qdk h LEU 202 CO 0.00 -0.16 -0.27 -0.07 -0.34 0.00 0.00 178.44 177.61 2qdk h LEU 203 N -0.15 0.98 -0.28 2.25 3.38 -0.85 -2.25 115.31 118.38 2qdk h LEU 203 Ca 0.08 -0.42 -0.06 0.00 0.09 0.00 0.00 57.88 57.57 2qdk h LEU 203 Cb 0.27 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2qdk h LEU 203 CO -0.19 1.19 -0.05 0.74 0.09 0.00 0.00 178.44 180.22 2qdk h THR 204 N 0.78 1.28 -0.26 0.22 2.02 -1.25 0.39 112.91 116.08 2qdk h THR 204 Ca 0.09 -1.05 -0.10 0.00 0.77 0.00 0.00 66.41 66.12 2qdk h THR 204 Cb 0.85 1.39 -0.01 0.00 -1.74 0.00 0.00 68.15 68.64 2qdk h THR 204 CO 0.07 0.33 -0.28 0.00 0.37 0.00 0.00 175.52 176.02 2qdk h MET 205 N 0.29 0.51 0.02 6.66 -0.00 -1.20 -2.05 114.93 119.16 2qdk h MET 205 Ca 0.07 -0.20 -0.15 0.00 -0.00 0.00 0.00 59.70 59.42 2qdk h MET 205 Cb 0.51 -0.02 0.01 0.00 -0.00 0.00 0.00 31.60 32.10 2qdk h MET 205 CO 0.02 0.74 -0.60 0.00 -0.00 0.00 0.00 176.91 177.07 2qdk h ALA 207 N 0.28 1.32 -0.28 0.00 0.00 -0.83 -0.75 119.26 119.00 2qdk h ALA 207 Ca -0.08 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2qdk h ALA 207 Cb 1.34 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2qdk h ALA 207 CO 0.12 0.12 0.00 -1.13 0.00 0.00 0.00 179.25 178.36 2qdk n SER 208 N -3.67 3.23 -0.32 0.00 3.41 -0.78 -4.33 113.62 111.16 2qdk n SER 208 Ca -0.02 -1.95 0.04 0.00 -0.26 0.00 0.00 58.87 56.67 2qdk n SER 208 Cb 0.21 -0.17 0.05 0.00 -0.26 0.00 0.00 64.21 64.04 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 1.36 0.51 -2.15 4.33 6.02 -0.96 -5.01 117.38 121.48 2qdk n GLN 209 Ca 0.17 -1.56 -0.11 0.00 -0.01 0.00 0.00 57.00 55.49 2qdk n GLN 209 Cb 0.57 -0.87 -0.01 0.00 1.02 0.00 0.00 30.24 30.96 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 -0.52 -0.00 3.69 1.08 0.00 -1.07 -5.02 105.19 103.34 2qdk n GLY 210 Ca 0.06 -0.43 -0.29 0.00 0.00 0.00 0.00 46.02 45.35 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 -3.10 3.47 -0.15 0.99 1.43 -0.33 -5.06 118.68 115.93 2qdk s LEU 211 Ca 0.00 -0.22 -0.13 0.00 -1.03 0.00 0.00 54.13 52.75 2qdk s LEU 211 Cb 0.00 -2.17 -0.05 0.00 0.03 0.00 0.00 46.19 44.01 2qdk s LEU 211 CO 0.00 0.14 0.26 -0.13 0.23 0.00 0.00 176.35 176.85 2qdk s ARG 212 N -2.56 4.15 0.03 1.70 0.52 0.08 -4.02 118.95 118.84 2qdk s ARG 212 Ca 0.27 0.03 0.01 0.00 -0.52 0.00 0.00 55.73 55.52 2qdk s ARG 212 Cb -0.11 -3.39 -0.02 0.00 0.52 0.00 0.00 34.95 31.95 2qdk s ARG 212 CO 0.19 0.33 -0.05 0.00 0.02 0.00 0.00 175.30 175.79 2qdk s ALA 213 N 0.21 0.37 0.16 2.13 0.00 -1.26 -0.19 121.76 123.18 2qdk s ALA 213 Ca 0.15 -0.57 -0.03 0.00 0.00 0.00 0.00 51.96 51.51 2qdk s ALA 213 Cb -0.13 0.05 -0.03 0.00 0.00 0.00 0.00 23.12 23.01 2qdk s ALA 213 CO 0.03 -0.04 0.14 0.20 0.00 0.00 0.00 175.76 176.09 2qdk s GLY 214 N -1.21 1.02 -0.12 0.00 0.00 -0.41 -0.54 107.32 106.07 2qdk s GLY 214 Ca -0.09 -1.42 -0.09 0.00 0.00 0.00 0.00 44.72 43.11 2qdk s GLY 214 CO -0.00 -1.25 0.31 -0.29 0.00 0.00 0.00 173.10 171.87 2qdk s MET 215 N -4.07 0.33 0.03 2.90 1.75 -1.26 -1.00 119.30 117.98 2qdk s MET 215 Ca 0.28 0.51 0.04 0.00 -1.25 0.00 0.00 55.69 55.27 2qdk s MET 215 Cb 0.06 0.08 -0.02 0.00 2.84 0.00 0.00 34.83 37.79 2qdk s MET 215 CO 0.05 -0.09 -0.12 0.54 -0.65 0.00 0.00 175.02 174.75 2qdk s VAL 216 N 0.60 0.93 0.01 10.11 0.11 -0.59 -1.70 120.40 129.87 2qdk s VAL 216 Ca -0.04 -0.91 -0.07 0.00 -2.93 0.00 0.00 61.98 58.04 2qdk s VAL 216 Cb -0.05 -0.86 -0.00 0.00 -1.53 0.00 0.00 36.38 33.94 2qdk s VAL 216 CO -0.04 -0.04 0.12 0.00 -3.33 0.00 0.00 175.10 171.81 2qdk s ALA 217 N -0.85 -0.27 -0.11 1.54 0.00 -0.25 -1.53 121.76 120.30 2qdk s ALA 217 Ca -0.00 -0.21 -0.07 0.00 0.00 0.00 0.00 51.96 51.67 2qdk s ALA 217 Cb -0.07 0.13 -0.04 0.00 0.00 0.00 0.00 23.12 23.14 2qdk s ALA 217 CO 0.01 -0.22 0.16 0.20 0.00 0.00 0.00 175.76 175.91 2qdk s GLY 218 N -1.48 2.18 -0.24 0.00 0.00 -0.62 -0.55 107.32 106.61 2qdk s GLY 218 Ca -0.14 -0.63 -0.22 0.00 0.00 0.00 0.00 44.72 43.74 2qdk s GLY 218 CO 0.01 -0.37 0.68 0.14 0.00 0.00 0.00 173.10 173.56 2qdk s VAL 219 N -1.05 4.95 -0.24 1.40 1.01 -0.04 -0.83 120.40 125.60 2qdk s VAL 219 Ca 0.16 1.26 0.08 0.00 0.00 0.00 0.00 61.98 63.49 2qdk s VAL 219 Cb -0.12 -3.99 -0.11 0.00 0.00 0.00 0.00 36.38 32.16 2qdk s VAL 219 CO 0.06 0.02 0.29 2.30 0.00 0.00 0.00 175.10 177.76 2qdk n ILE 220 N 5.12 0.00 -3.73 2.22 -5.35 0.24 -0.03 119.36 117.83 2qdk n ILE 220 Ca 0.01 -0.26 -0.10 0.00 -0.27 0.00 0.00 62.75 62.13 2qdk n ILE 220 Cb 0.49 0.72 -0.05 0.00 -1.74 0.00 0.00 39.64 39.05 2qdk n ILE 220 CO 0.00 0.00 0.00 0.68 -1.76 0.00 0.00 176.55 175.47 2qdk s VAL 221 N -2.12 0.07 -0.22 7.28 -7.23 -1.22 -3.94 120.40 113.02 2qdk s VAL 221 Ca 0.01 -0.81 -0.03 0.00 -1.81 0.00 0.00 61.98 59.33 2qdk s VAL 221 Cb 0.06 -1.35 0.11 0.00 0.56 0.00 0.00 36.38 35.76 2qdk s VAL 221 CO 0.35 -0.34 0.25 0.21 -0.31 0.00 0.00 175.10 175.26 2qdk s ASN 222 N -2.85 1.34 0.15 4.85 3.84 -1.26 -2.07 114.94 118.94 2qdk s ASN 222 Ca 0.06 -0.28 -0.17 0.00 0.21 0.00 0.00 52.86 52.68 2qdk s ASN 222 Cb 0.02 0.48 0.05 0.00 -0.55 0.00 0.00 41.25 41.24 2qdk s ASN 222 CO -0.09 -0.34 1.71 0.03 -2.79 0.00 0.00 177.10 175.63 2qdk h ARG 223 N 8.29 0.10 0.00 0.43 3.08 -1.94 -0.97 114.38 123.38 2qdk h ARG 223 Ca -0.17 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.88 2qdk h ARG 223 Cb 1.14 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.16 2qdk h ARG 223 CO 0.29 0.07 0.00 -2.37 -1.07 0.00 0.00 179.97 176.89 2qdk n THR 224 N -5.15 0.00 -0.05 2.04 5.66 -1.26 -3.11 114.28 112.40 2qdk n THR 224 Ca 0.00 0.00 -0.06 0.00 -3.05 0.00 0.00 64.05 60.94 2qdk n THR 224 Cb 0.16 -0.66 -0.06 0.00 -1.55 0.00 0.00 70.33 68.21 2qdk n THR 224 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2qdk n GLN 225 N -0.95 1.47 -0.85 1.09 6.02 -0.44 -4.92 117.38 118.80 2qdk n GLN 225 Ca 0.13 0.03 0.00 0.00 -0.01 0.00 0.00 57.00 57.15 2qdk n GLN 225 Cb 0.06 -1.24 0.00 0.00 1.02 0.00 0.00 30.24 30.08 2qdk n GLN 225 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2qdk n GLN 226 N -2.58 0.00 0.00 -1.09 6.02 -0.76 -5.08 117.38 113.90 2qdk n GLN 226 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.81 2qdk n GLN 226 Cb 0.76 -0.91 0.00 0.00 1.02 0.00 0.00 30.24 31.11 2qdk n GLN 226 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2qdk n ASN 230 N -0.72 0.00 0.00 1.08 4.13 -1.25 -4.86 115.26 113.63 2qdk n ASN 230 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 2qdk n ASN 230 Cb 0.26 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.50 2qdk n ASN 230 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2qdk n ALA 231 N -0.09 0.00 0.17 5.41 0.00 -1.26 0.65 120.51 125.39 2qdk n ALA 231 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 2qdk n ALA 231 Cb 0.00 0.02 0.30 0.00 0.00 0.00 0.00 19.45 19.77 2qdk n ALA 231 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2qdk h GLU 232 N 0.00 0.00 -0.36 0.00 4.81 -2.04 -3.18 114.58 113.80 2qdk h GLU 232 Ca 0.00 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 2qdk h GLU 232 Cb 0.00 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 2qdk h GLU 232 CO 0.00 0.45 0.06 1.79 -0.73 0.00 0.00 179.01 180.59 2qdk h THR 233 N 0.00 1.24 -0.57 0.32 1.35 -1.80 -0.89 112.91 112.56 2qdk h THR 233 Ca -0.00 -0.83 0.05 0.00 -0.55 0.00 0.00 66.41 65.07 2qdk h THR 233 Cb 0.87 1.08 -0.05 0.00 -1.73 0.00 0.00 68.15 68.32 2qdk h THR 233 CO 0.06 0.28 0.30 -0.03 -0.25 0.00 0.00 175.52 175.88 2qdk h MET 234 N 0.44 0.56 -0.72 4.72 1.85 0.23 0.52 114.93 122.53 2qdk h MET 234 Ca 0.11 -0.03 0.01 0.00 -0.61 0.00 0.00 59.70 59.18 2qdk h MET 234 Cb 0.35 -0.13 -0.04 0.00 0.43 0.00 0.00 31.60 32.22 2qdk h MET 234 CO 0.01 0.37 0.47 0.87 -0.40 0.00 0.00 176.91 178.23 2qdk h LYS 235 N 0.57 0.93 -0.37 0.39 1.79 -1.52 0.86 116.57 119.22 2qdk h LYS 235 Ca 0.25 -0.06 -0.02 0.00 -2.18 0.00 0.00 60.65 58.65 2qdk h LYS 235 Cb 0.15 -0.21 -0.02 0.00 -1.58 0.00 0.00 32.23 30.57 2qdk h LYS 235 CO -0.17 0.62 0.16 0.37 -1.08 0.00 0.00 179.45 179.35 2qdk h GLN 236 N 0.96 0.55 -0.01 3.15 5.75 -0.21 -1.39 115.11 123.92 2qdk h GLN 236 Ca 0.27 -0.09 -0.00 0.00 -0.15 0.00 0.00 58.65 58.68 2qdk h GLN 236 Cb -0.09 -0.09 -0.00 0.00 1.07 0.00 0.00 27.48 28.37 2qdk h GLN 236 CO -0.07 0.51 -0.00 1.15 -2.65 0.00 0.00 178.83 177.77 2qdk h THR 237 N 0.46 1.30 -0.67 2.39 2.02 0.56 -2.58 112.91 116.39 2qdk h THR 237 Ca 0.13 -0.90 0.06 0.00 0.77 0.00 0.00 66.41 66.47 2qdk h THR 237 Cb 0.16 1.90 -0.08 0.00 -1.74 0.00 0.00 68.15 68.39 2qdk h THR 237 CO -0.01 0.24 -0.41 -0.33 0.37 0.00 0.00 175.52 175.37 2qdk h GLU 238 N -0.37 -0.01 -0.87 6.66 4.39 0.75 -0.38 114.58 124.75 2qdk h GLU 238 Ca 0.00 0.00 0.21 0.00 0.34 0.00 0.00 59.36 59.91 2qdk h GLU 238 Cb 0.39 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.98 2qdk h GLU 238 CO 0.00 -0.01 0.59 1.03 -1.16 0.00 0.00 179.01 179.46 2qdk h SER 239 N -0.01 0.29 0.38 1.42 0.87 -1.18 -1.37 113.55 113.94 2qdk h SER 239 Ca 0.11 0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.68 2qdk h SER 239 Cb 0.29 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.23 2qdk h SER 239 CO -0.64 0.11 -0.18 -0.74 -0.53 0.00 0.00 176.83 174.86 2qdk h HIS 240 N 0.29 -0.47 -0.12 2.24 -0.00 -0.69 -1.72 115.15 114.68 2qdk h HIS 240 Ca 0.44 -0.01 -0.03 0.00 -0.00 0.00 0.00 60.37 60.77 2qdk h HIS 240 Cb 1.27 0.15 -0.01 0.00 -0.00 0.00 0.00 27.41 28.83 2qdk h HIS 240 CO -0.00 -0.14 -0.07 0.00 -0.00 0.00 0.00 177.93 177.71 2qdk h ALA 241 N -0.64 1.65 -0.28 5.26 0.00 -1.10 -1.90 119.26 122.25 2qdk h ALA 241 Ca -0.05 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 2qdk h ALA 241 Cb 0.53 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2qdk h ALA 241 CO 0.08 0.26 0.09 0.28 0.00 0.00 0.00 179.25 179.96 2qdk h VAL 242 N 0.18 1.20 -0.78 0.00 2.07 -1.24 -0.25 116.25 117.42 2qdk h VAL 242 Ca 0.04 -0.62 0.09 0.00 0.82 0.00 0.00 66.70 67.02 2qdk h VAL 242 Cb 0.25 1.08 -0.07 0.00 -1.52 0.00 0.00 31.29 31.03 2qdk h VAL 242 CO 0.01 0.21 0.44 0.50 0.02 0.00 0.00 177.57 178.75 2qdk h LYS 243 N 0.29 0.73 -0.36 1.57 3.64 -0.87 -2.38 116.57 119.19 2qdk h LYS 243 Ca 0.09 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.37 2qdk h LYS 243 Cb 0.23 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 2qdk h LYS 243 CO -0.00 0.48 -0.01 0.82 -2.27 0.00 0.00 179.45 178.47 2qdk h ILE 244 N 0.75 1.26 -0.04 2.00 2.04 -0.88 -1.71 117.51 120.94 2qdk h ILE 244 Ca 0.37 -1.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.15 2qdk h ILE 244 Cb 0.32 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 2qdk h ILE 244 CO -0.23 0.33 -0.35 1.62 0.00 0.00 0.00 178.15 179.52 2qdk h VAL 245 N 0.46 1.26 0.04 1.67 3.04 -0.67 0.72 116.25 122.77 2qdk h VAL 245 Ca 0.10 -1.26 -0.27 0.00 -1.01 0.00 0.00 66.70 64.26 2qdk h VAL 245 Cb 0.48 1.63 0.02 0.00 -2.01 0.00 0.00 31.29 31.41 2qdk h VAL 245 CO 0.02 0.37 -1.09 0.58 -1.01 0.00 0.00 177.57 176.44 2qdk h VAL 246 N 0.06 1.31 -0.50 1.51 2.07 -1.35 -1.18 116.25 118.18 2qdk h VAL 246 Ca 0.01 -2.38 -0.08 0.00 0.82 0.00 0.00 66.70 65.06 2qdk h VAL 246 Cb 0.65 2.50 -0.02 0.00 -1.52 0.00 0.00 31.29 32.90 2qdk h VAL 246 CO 0.05 0.73 -0.02 -0.08 0.02 0.00 0.00 177.57 178.27 2qdk h GLU 247 N 0.32 0.85 -0.38 1.57 4.57 -1.03 -2.03 114.58 118.45 2qdk h GLU 247 Ca -0.14 -0.25 -0.03 0.00 -1.18 0.00 0.00 59.36 57.77 2qdk h GLU 247 Cb 1.74 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 30.23 2qdk h GLU 247 CO 0.21 0.86 0.12 0.00 -1.18 0.00 0.00 179.01 179.02 2qdk h ALA 248 N 1.19 0.50 -1.00 2.92 0.00 -0.79 -2.86 119.26 119.21 2qdk h ALA 248 Ca 0.15 -0.16 0.11 0.00 0.00 0.00 0.00 54.91 55.00 2qdk h ALA 248 Cb 0.50 -0.15 -0.08 0.00 0.00 0.00 0.00 17.79 18.06 2qdk h ALA 248 CO 0.02 0.14 0.63 0.00 0.00 0.00 0.00 179.25 180.05 2qdk h ALA 249 N 0.97 1.48 -0.91 0.00 0.00 -0.97 -0.92 119.26 118.90 2qdk h ALA 249 Ca 0.12 0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.16 2qdk h ALA 249 Cb 0.25 -0.23 -0.07 0.00 0.00 0.00 0.00 17.79 17.74 2qdk h ALA 249 CO -0.00 0.27 0.59 0.00 0.00 0.00 0.00 179.25 180.11 2qdk h ARG 250 N 1.03 0.82 0.00 0.00 3.08 -1.14 -0.36 114.38 117.82 2qdk h ARG 250 Ca 0.48 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.48 2qdk h ARG 250 Cb 0.41 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.28 2qdk h ARG 250 CO -0.25 0.54 0.00 0.00 -1.07 0.00 0.00 179.97 179.20 2qdk h ARG 251 N 0.84 0.00 -0.03 0.04 3.08 -1.11 -3.30 114.38 113.91 2qdk h ARG 251 Ca 0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.49 2qdk h ARG 251 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.58 2qdk h ARG 251 CO -0.21 0.00 -0.08 1.28 -1.07 0.00 0.00 179.97 179.89 2qdk n LEU 252 N -2.73 2.76 -0.05 3.04 4.77 -0.17 -5.09 117.00 119.52 2qdk n LEU 252 Ca 0.04 -0.96 0.16 0.00 -0.03 0.00 0.00 56.01 55.22 2qdk n LEU 252 Cb 0.43 0.00 0.90 0.00 -2.33 0.00 0.00 43.42 42.42 2qdk n LEU 252 CO 0.30 0.47 1.08 0.18 -1.33 0.00 0.00 177.39 178.09