#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qdk s LYS 3 N 0.00 4.55 -0.07 1.43 1.02 -1.26 -5.05 119.74 120.35 2qdk s LYS 3 Ca 0.00 1.47 -0.05 0.00 0.02 0.00 0.00 55.97 57.41 2qdk s LYS 3 Cb 0.00 -3.44 0.02 0.00 -0.52 0.00 0.00 37.83 33.90 2qdk s LYS 3 CO 0.00 -0.07 0.18 0.45 -0.92 0.00 0.00 175.35 174.99 2qdk s SER 4 N 0.97 -0.18 0.00 2.83 0.15 -1.26 -4.55 113.70 111.66 2qdk s SER 4 Ca 0.53 0.37 0.28 0.00 0.70 0.00 0.00 55.95 57.82 2qdk s SER 4 Cb -0.22 0.34 0.97 0.00 -1.71 0.00 0.00 66.02 65.40 2qdk s SER 4 CO 0.28 -0.09 1.73 0.47 1.20 0.00 0.00 173.24 176.83 2qdk n ASP 5 N 3.36 0.26 -4.18 5.45 8.00 0.43 -4.93 116.55 124.95 2qdk n ASP 5 Ca -0.17 0.03 -0.11 0.00 0.71 0.00 0.00 54.79 55.26 2qdk n ASP 5 Cb 0.57 -0.15 -0.10 0.00 -0.02 0.00 0.00 41.12 41.42 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 -2.90 0.68 0.16 2.53 -7.23 -1.25 -5.05 120.40 107.34 2qdk s VAL 6 Ca 0.16 -1.94 -0.03 0.00 -1.81 0.00 0.00 61.98 58.35 2qdk s VAL 6 Cb 0.19 -1.76 -0.13 0.00 0.56 0.00 0.00 36.38 35.23 2qdk s VAL 6 CO 0.58 -0.80 1.38 0.15 -0.31 0.00 0.00 175.10 176.10 2qdk h PHE 7 N 2.92 0.61 0.00 2.82 3.57 -1.95 -3.39 116.94 121.52 2qdk h PHE 7 Ca -0.35 -0.29 -0.23 0.00 3.53 0.00 0.00 57.97 60.63 2qdk h PHE 7 Cb 1.17 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 39.78 2qdk h PHE 7 CO 0.58 1.07 -1.86 0.72 -2.23 0.00 0.00 178.31 176.59 2qdk n HIS 8 N -3.82 0.00 0.19 0.41 8.25 -1.26 -4.75 115.22 114.24 2qdk n HIS 8 Ca -0.05 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.53 2qdk n HIS 8 Cb 0.75 -0.60 0.12 0.00 1.12 0.00 0.00 29.99 31.37 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 0.50 2.41 3.38 -1.93 -3.44 115.31 116.22 2qdk h LEU 9 Ca -0.34 -0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.41 2qdk h LEU 9 Cb 1.68 0.00 0.03 0.00 0.09 0.00 0.00 40.66 42.46 2qdk h LEU 9 CO -0.01 0.00 -0.33 0.61 0.09 0.00 0.00 178.44 178.81 2qdk n GLY 10 N 1.13 0.00 3.40 0.83 0.00 -1.26 -4.74 105.19 104.55 2qdk n GLY 10 Ca 0.03 -0.30 -0.25 0.00 0.00 0.00 0.00 46.02 45.50 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 -3.80 2.45 0.36 0.99 1.43 -1.26 -4.81 118.68 114.04 2qdk s LEU 11 Ca 0.14 -0.88 0.09 0.00 -1.03 0.00 0.00 54.13 52.45 2qdk s LEU 11 Cb -0.06 -1.05 -0.06 0.00 0.03 0.00 0.00 46.19 45.04 2qdk s LEU 11 CO 0.18 0.06 -0.04 0.42 0.23 0.00 0.00 176.35 177.21 2qdk s THR 12 N -1.86 2.31 0.23 5.49 -4.23 -1.26 -0.43 115.64 115.89 2qdk s THR 12 Ca 0.20 -2.08 -0.07 0.00 -1.18 0.00 0.00 61.69 58.56 2qdk s THR 12 Cb -0.07 -2.76 0.21 0.00 1.34 0.00 0.00 72.50 71.22 2qdk s THR 12 CO 0.09 -0.16 1.86 0.11 -0.54 0.00 0.00 174.62 175.99 2qdk h LYS 13 N 1.89 1.26 -0.99 3.99 1.57 -1.97 -2.20 116.57 120.12 2qdk h LYS 13 Ca -0.43 -0.14 0.12 0.00 -1.87 0.00 0.00 60.65 58.34 2qdk h LYS 13 Cb 1.25 -0.25 -0.08 0.00 0.08 0.00 0.00 32.23 33.22 2qdk h LYS 13 CO 0.71 0.91 0.62 -0.97 -0.57 0.00 0.00 179.45 180.15 2qdk h ASN 14 N 1.27 0.91 -0.56 0.86 -1.24 -1.96 -0.97 115.58 113.89 2qdk h ASN 14 Ca 0.32 0.05 0.15 0.00 0.71 0.00 0.00 56.30 57.54 2qdk h ASN 14 Cb -0.00 -0.13 -0.02 0.00 0.73 0.00 0.00 38.32 38.89 2qdk h ASN 14 CO -0.05 0.48 0.40 0.44 -1.29 0.00 0.00 177.43 177.41 2qdk h ASP 15 N 0.98 0.04 1.85 1.15 3.45 -1.80 -2.12 116.42 119.97 2qdk h ASP 15 Ca 0.49 0.00 -0.03 0.00 0.43 0.00 0.00 57.03 57.92 2qdk h ASP 15 Cb 0.48 -0.01 -0.00 0.00 -0.56 0.00 0.00 39.33 39.24 2qdk h ASP 15 CO -0.27 0.02 -0.14 -0.07 -1.57 0.00 0.00 179.24 177.22 2qdk h LEU 16 N 0.05 0.00 -1.23 1.55 4.07 -1.20 -3.48 115.31 115.07 2qdk h LEU 16 Ca 0.27 0.00 -0.51 0.00 0.08 0.00 0.00 57.88 57.72 2qdk h LEU 16 Cb 1.00 0.00 -0.10 0.00 1.08 0.00 0.00 40.66 42.64 2qdk h LEU 16 CO -0.01 0.14 -0.81 0.00 -1.08 0.00 0.00 178.44 176.67 2qdk n GLN 17 N -3.14 -4.18 -0.63 1.13 6.02 -0.80 -1.06 117.38 114.73 2qdk n GLN 17 Ca 0.03 0.48 0.00 0.00 -0.01 0.00 0.00 57.00 57.50 2qdk n GLN 17 Cb 0.58 -5.16 0.00 0.00 1.02 0.00 0.00 30.24 26.68 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 -1.61 0.88 3.63 1.08 0.00 -1.26 -4.66 105.19 103.24 2qdk n GLY 18 Ca -0.02 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.07 0.26 -0.24 4.61 0.00 -0.23 -4.91 120.51 119.94 2qdk n ALA 19 Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.86 2qdk n ALA 19 Cb 0.00 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.31 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 1.56 -0.30 -4.64 0.00 6.02 -1.26 -4.40 117.38 114.36 2qdk n GLN 20 Ca 0.12 -0.51 -0.24 0.00 -0.01 0.00 0.00 57.00 56.36 2qdk n GLN 20 Cb 0.30 -0.88 -0.16 0.00 1.02 0.00 0.00 30.24 30.52 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 -0.11 1.85 -0.04 1.08 0.20 -1.26 -0.87 118.68 119.52 2qdk s LEU 21 Ca 0.00 -0.28 0.06 0.00 0.69 0.00 0.00 54.13 54.60 2qdk s LEU 21 Cb 0.00 -0.79 -0.01 0.00 -0.43 0.00 0.00 46.19 44.96 2qdk s LEU 21 CO 0.00 0.11 -0.21 0.00 -0.29 0.00 0.00 176.35 175.96 2qdk s ALA 22 N 0.13 1.82 -0.21 5.97 0.00 0.07 -1.93 121.76 127.62 2qdk s ALA 22 Ca -0.04 -0.89 -0.14 0.00 0.00 0.00 0.00 51.96 50.88 2qdk s ALA 22 Cb -0.10 -0.53 -0.04 0.00 0.00 0.00 0.00 23.12 22.44 2qdk s ALA 22 CO 0.02 0.39 0.32 0.42 0.00 0.00 0.00 175.76 176.90 2qdk s ILE 23 N -0.25 5.25 -0.49 0.00 1.01 0.28 -1.16 121.20 125.84 2qdk s ILE 23 Ca 0.01 0.54 0.03 0.00 0.00 0.00 0.00 60.65 61.23 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 0.29 0.26 0.68 0.00 0.00 0.00 174.94 176.18 2qdk s VAL 24 N 1.18 2.11 0.78 2.92 -7.23 0.83 -1.51 120.40 119.48 2qdk s VAL 24 Ca 0.15 -3.04 -0.11 0.00 -1.81 0.00 0.00 61.98 57.17 2qdk s VAL 24 Cb -0.14 -2.47 0.06 0.00 0.56 0.00 0.00 36.38 34.38 2qdk s VAL 24 CO 0.07 -0.85 1.09 -2.16 -0.31 0.00 0.00 175.10 172.94 2qdk s PRO 25 N -0.07 2.27 0.01 4.82 0.04 -1.25 -3.26 135.00 137.57 2qdk s PRO 25 Ca 0.18 0.67 -0.15 0.00 0.04 0.00 0.00 61.00 61.74 2qdk s PRO 25 Cb -0.25 -1.94 -0.35 0.00 0.04 0.00 0.00 34.50 32.01 2qdk s PRO 25 CO -0.00 -1.50 0.93 0.78 0.04 0.00 0.00 177.00 177.24 2qdk h GLY 26 N -1.00 0.59 -6.05 0.56 0.00 -1.83 -0.80 103.07 94.54 2qdk h GLY 26 Ca -0.46 -1.50 -0.59 0.00 0.00 0.00 0.00 47.33 44.77 2qdk h GLY 26 CO 0.59 1.31 -0.01 -0.35 0.00 0.00 0.00 176.54 178.09 2qdk s ASP 27 N -7.52 6.62 0.49 0.19 3.68 -1.26 -1.20 116.67 117.67 2qdk s ASP 27 Ca -0.11 0.74 0.16 0.00 2.13 0.00 0.00 52.55 55.48 2qdk s ASP 27 Cb 0.04 -2.31 1.19 0.00 -1.45 0.00 0.00 42.92 40.39 2qdk s ASP 27 CO 0.93 -0.18 2.07 1.55 0.13 0.00 0.00 175.17 179.66 2qdk h PRO 28 N 7.36 0.16 0.00 4.34 0.13 -1.88 -0.88 132.00 141.22 2qdk h PRO 28 Ca -0.34 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 2qdk h PRO 28 Cb 1.16 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.25 2qdk h PRO 28 CO 0.75 0.11 0.00 0.93 -0.23 0.00 0.00 178.00 179.55 2qdk h GLU 29 N 0.16 0.00 0.00 0.86 5.08 -1.96 -2.70 114.58 116.02 2qdk h GLU 29 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 2qdk h GLU 29 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 2qdk h GLU 29 CO -0.02 0.00 -0.36 -2.13 -1.00 0.00 0.00 179.01 175.50 2qdk n ARG 30 N -2.90 0.26 -0.01 2.33 0.63 -0.34 -4.30 116.66 112.33 2qdk n ARG 30 Ca -0.00 0.13 -0.12 0.00 -0.92 0.00 0.00 57.85 56.94 2qdk n ARG 30 Cb 0.22 -1.72 -0.06 0.00 0.45 0.00 0.00 32.46 31.35 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 1.14 -0.64 5.15 2.07 -1.57 -1.53 116.25 120.87 2qdk h VAL 31 Ca 0.00 -0.41 -0.02 0.00 0.82 0.00 0.00 66.70 67.09 2qdk h VAL 31 Cb 0.73 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.72 2qdk h VAL 31 CO 0.00 0.12 0.31 -0.08 0.02 0.00 0.00 177.57 177.94 2qdk h GLU 32 N -0.01 0.90 -0.41 1.57 4.81 -1.77 -0.53 114.58 119.14 2qdk h GLU 32 Ca 0.03 -0.11 -0.04 0.00 -0.13 0.00 0.00 59.36 59.11 2qdk h GLU 32 Cb 0.16 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 2qdk h GLU 32 CO -0.00 0.70 0.10 0.87 -0.73 0.00 0.00 179.01 179.94 2qdk h LYS 33 N 0.90 0.65 -0.42 1.92 1.57 -1.67 -1.99 116.57 117.54 2qdk h LYS 33 Ca 0.22 -0.15 -0.10 0.00 -1.87 0.00 0.00 60.65 58.75 2qdk h LYS 33 Cb 0.09 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 2qdk h LYS 33 CO -0.03 0.67 -0.13 0.82 -0.57 0.00 0.00 179.45 180.21 2qdk h ILE 34 N 0.51 1.28 0.00 1.86 2.04 -0.95 -2.79 117.51 119.46 2qdk h ILE 34 Ca 0.13 -1.24 -0.01 0.00 1.00 0.00 0.00 64.86 64.74 2qdk h ILE 34 Cb 0.31 1.20 -0.00 0.00 -0.74 0.00 0.00 36.82 37.59 2qdk h ILE 34 CO 0.00 0.42 -0.03 0.00 0.00 0.00 0.00 178.15 178.54 2qdk h ALA 35 N 0.85 1.75 0.00 1.87 0.00 -0.94 -1.82 119.26 120.96 2qdk h ALA 35 Ca 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2qdk h ALA 35 Cb 0.67 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2qdk h ALA 35 CO 0.05 0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.33 2qdk n ALA 36 N -2.44 2.08 1.37 0.00 0.00 -0.76 -1.69 120.51 119.07 2qdk n ALA 36 Ca -0.03 -0.09 0.14 0.00 0.00 0.00 0.00 53.44 53.46 2qdk n ALA 36 Cb 0.11 -1.37 0.59 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 -1.44 0.49 0.00 0.00 4.32 -0.68 -4.91 117.00 114.77 2qdk n LEU 37 Ca 0.07 0.01 -0.05 0.00 -0.02 0.00 0.00 56.01 56.02 2qdk n LEU 37 Cb 0.24 -0.19 -0.01 0.00 -1.62 0.00 0.00 43.42 41.84 2qdk n LEU 37 CO 0.20 0.09 -0.02 0.23 -1.22 0.00 0.00 177.39 176.67 2qdk n MET 38 N -0.97 1.67 -3.66 3.23 2.81 -0.68 -5.11 117.12 114.42 2qdk n MET 38 Ca 0.14 -0.55 -0.37 0.00 -1.81 0.00 0.00 57.70 55.11 2qdk n MET 38 Cb 0.29 0.12 -0.06 0.00 -0.71 0.00 0.00 33.22 32.85 2qdk n MET 38 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2qdk s ASP 39 N -1.44 6.52 -1.40 7.83 -1.08 -0.10 -4.53 116.67 122.48 2qdk s ASP 39 Ca 0.01 0.62 -0.01 0.00 -0.52 0.00 0.00 52.55 52.65 2qdk s ASP 39 Cb -0.00 -2.16 0.00 0.00 -1.46 0.00 0.00 42.92 39.30 2qdk s ASP 39 CO 0.01 0.29 0.42 0.29 0.52 0.00 0.00 175.17 176.70 2qdk n LYS 40 N 2.46 -3.17 -2.11 4.34 4.76 -1.26 -0.56 118.16 122.61 2qdk n LYS 40 Ca -0.16 0.40 -0.38 0.00 -2.87 0.00 0.00 58.31 55.31 2qdk n LYS 40 Cb 0.53 -4.49 0.00 0.00 -1.84 0.00 0.00 35.03 29.24 2qdk n LYS 40 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2qdk s PRO 41 N -6.55 3.61 -0.01 1.97 0.04 -1.26 -4.64 135.00 128.17 2qdk s PRO 41 Ca 0.02 1.93 -0.01 0.00 0.04 0.00 0.00 61.00 62.98 2qdk s PRO 41 Cb -0.01 -2.40 -0.00 0.00 0.04 0.00 0.00 34.50 32.13 2qdk s PRO 41 CO 0.89 -0.72 0.03 0.54 0.04 0.00 0.00 177.00 177.78 2qdk s VAL 42 N -1.45 0.02 0.21 -0.36 0.11 0.30 -4.98 120.40 114.24 2qdk s VAL 42 Ca 0.65 -0.16 -0.30 0.00 -2.93 0.00 0.00 61.98 59.24 2qdk s VAL 42 Cb -0.33 -0.10 -0.08 0.00 -1.53 0.00 0.00 36.38 34.35 2qdk s VAL 42 CO 0.39 -0.09 1.08 -0.75 -3.33 0.00 0.00 175.10 172.40 2qdk s LYS 43 N -0.25 4.64 -0.22 1.54 2.20 -1.26 -1.03 119.74 125.36 2qdk s LYS 43 Ca -0.03 1.70 -0.08 0.00 -0.36 0.00 0.00 55.97 57.20 2qdk s LYS 43 Cb -0.02 -3.26 -0.11 0.00 -1.51 0.00 0.00 37.83 32.94 2qdk s LYS 43 CO -0.00 0.17 -0.26 1.28 -0.36 0.00 0.00 175.35 176.17 2qdk n LEU 44 N 1.97 1.93 -3.53 5.43 4.77 0.80 -4.90 117.00 123.47 2qdk n LEU 44 Ca 0.01 0.18 -0.07 0.00 -0.03 0.00 0.00 56.01 56.09 2qdk n LEU 44 Cb 0.46 -0.68 -0.02 0.00 -2.33 0.00 0.00 43.42 40.85 2qdk n LEU 44 CO 0.53 0.56 0.79 0.00 -1.33 0.00 0.00 177.39 177.94 2qdk s ALA 45 N -2.41 -1.90 -0.17 -1.18 0.00 -1.09 -5.01 121.76 109.99 2qdk s ALA 45 Ca -0.31 1.23 -0.04 0.00 0.00 0.00 0.00 51.96 52.84 2qdk s ALA 45 Cb 0.11 0.17 0.08 0.00 0.00 0.00 0.00 23.12 23.48 2qdk s ALA 45 CO 0.42 -0.63 0.24 0.45 0.00 0.00 0.00 175.76 176.24 2qdk s SER 46 N -2.28 0.91 -0.04 0.00 0.15 -1.26 -0.99 113.70 110.19 2qdk s SER 46 Ca 0.06 0.12 -0.02 0.00 0.70 0.00 0.00 55.95 56.81 2qdk s SER 46 Cb -0.01 0.54 0.03 0.00 -1.71 0.00 0.00 66.02 64.86 2qdk s SER 46 CO -0.07 -0.29 0.08 -1.00 1.20 0.00 0.00 173.24 173.16 2qdk s HIS 47 N 2.37 -0.06 0.00 3.44 3.76 -0.48 -4.99 115.29 119.33 2qdk s HIS 47 Ca 0.05 0.26 0.00 0.00 -0.15 0.00 0.00 55.06 55.22 2qdk s HIS 47 Cb -0.14 -0.11 0.00 0.00 1.11 0.00 0.00 32.58 33.44 2qdk s HIS 47 CO -0.11 -0.10 0.00 0.54 -0.85 0.00 0.00 174.74 174.22 2qdk n ARG 48 N 3.84 0.00 -0.31 1.40 1.74 -1.26 -0.36 116.66 121.72 2qdk n ARG 48 Ca -0.23 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 56.91 2qdk n ARG 48 Cb 0.53 0.00 0.20 0.00 -1.02 0.00 0.00 32.46 32.17 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 2.36 -3.50 5.56 0.00 -1.26 -4.77 120.64 133.02 2qdk n GLU 49 Ca 0.00 -1.60 -0.42 0.00 0.00 0.00 0.00 57.16 55.14 2qdk n GLU 49 Cb 0.00 -1.51 -0.07 0.00 0.00 0.00 0.00 31.44 29.85 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 -1.61 3.43 -0.18 -1.84 0.40 0.52 -3.90 117.98 114.80 2qdk s PHE 50 Ca 0.29 -1.86 -0.06 0.00 -0.60 0.00 0.00 56.93 54.70 2qdk s PHE 50 Cb 0.17 -3.56 -0.03 0.00 0.51 0.00 0.00 43.02 40.11 2qdk s PHE 50 CO 0.16 -0.99 0.02 0.99 0.70 0.00 0.00 175.22 176.10 2qdk s THR 51 N 1.17 4.29 -0.02 0.64 2.01 -1.26 -1.39 115.64 121.08 2qdk s THR 51 Ca 0.07 -0.21 0.05 0.00 0.31 0.00 0.00 61.69 61.91 2qdk s THR 51 Cb -0.25 -2.92 -0.01 0.00 0.01 0.00 0.00 72.50 69.33 2qdk s THR 51 CO -0.01 0.46 -0.16 -0.94 -0.69 0.00 0.00 174.62 173.28 2qdk s SER 52 N 0.54 1.93 0.21 3.53 1.04 -0.16 -1.34 113.70 119.44 2qdk s SER 52 Ca 0.00 -0.30 0.08 0.00 0.48 0.00 0.00 55.95 56.21 2qdk s SER 52 Cb -0.14 -0.30 -0.05 0.00 0.10 0.00 0.00 66.02 65.64 2qdk s SER 52 CO 0.02 0.18 -0.14 0.26 0.98 0.00 0.00 173.24 174.55 2qdk s TRP 53 N -0.26 1.73 0.04 5.02 0.52 0.34 -0.14 118.94 126.19 2qdk s TRP 53 Ca 0.04 -0.59 0.08 0.00 0.02 0.00 0.00 56.10 55.65 2qdk s TRP 53 Cb -0.07 -0.82 -0.03 0.00 -1.15 0.00 0.00 33.47 31.40 2qdk s TRP 53 CO -0.00 0.35 -0.23 0.50 0.02 0.00 0.00 176.95 177.59 2qdk s ARG 54 N -3.65 1.57 0.36 4.98 3.52 -0.20 -1.19 118.95 124.34 2qdk s ARG 54 Ca 0.23 -1.02 -0.03 0.00 -0.13 0.00 0.00 55.73 54.79 2qdk s ARG 54 Cb -0.00 -1.72 0.01 0.00 -1.56 0.00 0.00 34.95 31.68 2qdk s ARG 54 CO 0.07 0.44 0.51 0.00 -0.81 0.00 0.00 175.30 175.51 2qdk s ALA 55 N -0.80 0.72 -0.01 6.12 0.00 -0.44 -0.54 121.76 126.81 2qdk s ALA 55 Ca 0.09 -1.50 0.06 0.00 0.00 0.00 0.00 51.96 50.61 2qdk s ALA 55 Cb -0.09 1.12 -0.03 0.00 0.00 0.00 0.00 23.12 24.12 2qdk s ALA 55 CO 0.02 -0.81 -0.19 -1.83 0.00 0.00 0.00 175.76 172.95 2qdk s GLU 56 N -2.89 2.24 -0.16 0.00 4.04 0.27 -0.45 118.70 121.76 2qdk s GLU 56 Ca 0.30 -0.86 0.00 0.00 0.04 0.00 0.00 54.97 54.45 2qdk s GLU 56 Cb -0.01 -2.22 0.03 0.00 0.02 0.00 0.00 34.13 31.96 2qdk s GLU 56 CO 0.21 0.58 -0.10 -1.17 -1.84 0.00 0.00 175.26 172.93 2qdk s LEU 57 N -0.93 1.74 -1.64 1.83 2.96 -0.18 -0.92 118.68 121.54 2qdk s LEU 57 Ca 0.12 -0.59 -0.17 0.00 -0.22 0.00 0.00 54.13 53.27 2qdk s LEU 57 Cb -0.10 -1.08 0.13 0.00 0.50 0.00 0.00 46.19 45.63 2qdk s LEU 57 CO 0.02 -0.11 0.85 0.47 -1.32 0.00 0.00 176.35 176.25 2qdk n ASP 58 N 4.80 -3.80 0.00 3.68 10.43 -1.26 -1.57 116.55 128.84 2qdk n ASP 58 Ca -0.15 -0.93 0.00 0.00 2.57 0.00 0.00 54.79 56.28 2qdk n ASP 58 Cb 0.49 -3.16 0.00 0.00 1.84 0.00 0.00 41.12 40.29 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 -1.51 0.83 3.28 0.44 0.00 -1.26 -5.04 105.19 101.93 2qdk n GLY 59 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.47 1.90 0.36 1.61 1.02 -0.61 -5.06 119.74 118.50 2qdk s LYS 60 Ca 0.00 -0.88 -0.27 0.00 0.02 0.00 0.00 55.97 54.83 2qdk s LYS 60 Cb 0.00 -1.87 -0.09 0.00 -0.52 0.00 0.00 37.83 35.35 2qdk s LYS 60 CO 0.00 0.51 1.23 0.00 -0.92 0.00 0.00 175.35 176.17 2qdk s ALA 61 N -0.60 3.33 0.01 5.17 0.00 -1.26 -1.01 121.76 127.41 2qdk s ALA 61 Ca 0.09 1.11 0.00 0.00 0.00 0.00 0.00 51.96 53.16 2qdk s ALA 61 Cb -0.09 -3.43 -0.01 0.00 0.00 0.00 0.00 23.12 19.59 2qdk s ALA 61 CO -0.01 -0.56 -0.03 0.08 0.00 0.00 0.00 175.76 175.24 2qdk s VAL 62 N -1.25 0.16 -0.05 0.00 1.01 0.40 -4.32 120.40 116.36 2qdk s VAL 62 Ca 0.52 -0.59 -0.01 0.00 0.00 0.00 0.00 61.98 61.90 2qdk s VAL 62 Cb -0.35 -0.24 -0.04 0.00 0.00 0.00 0.00 36.38 35.76 2qdk s VAL 62 CO 0.46 -0.28 0.04 -0.63 0.00 0.00 0.00 175.10 174.68 2qdk s ILE 63 N -0.89 4.50 -0.14 2.22 -1.09 -0.81 -1.33 121.20 123.66 2qdk s ILE 63 Ca -0.09 -0.33 0.02 0.00 -2.23 0.00 0.00 60.65 58.02 2qdk s ILE 63 Cb -0.06 -2.97 0.01 0.00 -1.58 0.00 0.00 42.46 37.86 2qdk s ILE 63 CO -0.00 0.48 -0.22 -0.69 -1.23 0.00 0.00 174.94 173.28 2qdk s VAL 64 N -1.03 2.08 -0.09 2.92 1.01 -0.33 -0.56 120.40 124.40 2qdk s VAL 64 Ca 0.17 -0.97 -0.04 0.00 0.00 0.00 0.00 61.98 61.14 2qdk s VAL 64 Cb -0.12 -1.83 0.04 0.00 0.00 0.00 0.00 36.38 34.48 2qdk s VAL 64 CO 0.07 0.55 0.19 0.00 0.00 0.00 0.00 175.10 175.92 2qdk s SER 66 N 1.36 6.34 -0.02 0.00 1.04 -0.45 -3.89 113.70 118.07 2qdk s SER 66 Ca -0.08 1.81 0.17 0.00 0.48 0.00 0.00 55.95 58.33 2qdk s SER 66 Cb -0.11 -2.54 -0.25 0.00 0.10 0.00 0.00 66.02 63.22 2qdk s SER 66 CO -0.07 -0.78 0.46 0.35 0.98 0.00 0.00 173.24 174.18 2qdk n THR 67 N -1.29 0.00 -1.18 2.02 -2.24 -0.30 -4.46 114.28 106.83 2qdk n THR 67 Ca 0.08 -0.32 0.06 0.00 -2.27 0.00 0.00 64.05 61.60 2qdk n THR 67 Cb 0.53 0.32 -0.02 0.00 -2.10 0.00 0.00 70.33 69.07 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 1.49 -2.05 3.74 3.38 0.00 -0.34 -3.23 105.19 108.17 2qdk n GLY 68 Ca -0.02 -1.37 -0.39 0.00 0.00 0.00 0.00 46.02 44.24 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 -1.23 5.01 0.00 -0.61 1.01 -1.26 -4.65 121.20 119.46 2qdk s ILE 69 Ca 0.00 1.29 0.00 0.00 0.00 0.00 0.00 60.65 61.94 2qdk s ILE 69 Cb 0.00 -3.96 0.00 0.00 0.01 0.00 0.00 42.46 38.51 2qdk s ILE 69 CO 0.00 0.33 0.00 0.61 0.00 0.00 0.00 174.94 175.88 2qdk n GLY 70 N 2.86 2.34 0.35 6.18 0.00 -1.25 -4.56 105.19 111.10 2qdk n GLY 70 Ca -0.04 -1.86 -0.03 0.00 0.00 0.00 0.00 46.02 44.08 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 1.28 0.77 -0.02 0.00 -1.85 -2.41 103.07 100.85 2qdk h GLY 71 Ca 0.00 -0.49 0.03 0.00 0.00 0.00 0.00 47.33 46.86 2qdk h GLY 71 CO 0.00 0.48 0.06 -2.55 0.00 0.00 0.00 176.54 174.53 2qdk h PRO 72 N 1.23 0.15 -0.02 4.80 0.11 -1.94 0.22 132.00 136.56 2qdk h PRO 72 Ca 0.33 -0.01 -0.14 0.00 0.11 0.00 0.00 66.00 66.29 2qdk h PRO 72 Cb -0.12 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 30.94 2qdk h PRO 72 CO -0.07 0.10 -0.63 0.66 -0.21 0.00 0.00 178.00 177.85 2qdk h SER 73 N 0.15 0.09 -0.41 -2.05 4.64 -1.79 -2.89 113.55 111.29 2qdk h SER 73 Ca 0.10 -0.06 -0.00 0.00 -0.47 0.00 0.00 61.79 61.36 2qdk h SER 73 Cb 0.09 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.13 2qdk h SER 73 CO -0.12 0.70 0.26 0.74 -0.87 0.00 0.00 176.83 177.54 2qdk h THR 74 N 0.06 1.13 -0.61 2.95 2.02 -1.11 -2.30 112.91 115.05 2qdk h THR 74 Ca -0.01 -0.27 0.04 0.00 0.77 0.00 0.00 66.41 66.94 2qdk h THR 74 Cb 1.13 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 68.07 2qdk h THR 74 CO 0.09 0.13 0.40 0.77 0.37 0.00 0.00 175.52 177.28 2qdk h SER 75 N 0.55 0.59 -0.21 4.18 4.64 -0.39 -0.44 113.55 122.48 2qdk h SER 75 Ca 0.15 -0.01 -0.05 0.00 -0.47 0.00 0.00 61.79 61.42 2qdk h SER 75 Cb -0.02 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 61.93 2qdk h SER 75 CO -0.03 0.40 -0.06 0.40 -0.87 0.00 0.00 176.83 176.67 2qdk h ILE 76 N 0.68 1.29 -0.26 0.95 2.04 -1.28 -1.95 117.51 118.98 2qdk h ILE 76 Ca 0.25 -1.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.03 2qdk h ILE 76 Cb 0.13 1.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 2qdk h ILE 76 CO -0.07 0.33 0.12 0.00 0.00 0.00 0.00 178.15 178.52 2qdk h ALA 77 N 0.73 0.34 -0.38 1.87 0.00 -0.96 -0.88 119.26 119.98 2qdk h ALA 77 Ca 0.05 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 2qdk h ALA 77 Cb 0.52 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2qdk h ALA 77 CO 0.02 -0.08 0.09 0.28 0.00 0.00 0.00 179.25 179.56 2qdk h VAL 78 N 0.29 1.23 -0.31 0.00 2.07 -1.16 -0.03 116.25 118.33 2qdk h VAL 78 Ca 0.09 -0.78 -0.01 0.00 0.82 0.00 0.00 66.70 66.82 2qdk h VAL 78 Cb 0.15 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 2qdk h VAL 78 CO -0.01 0.27 0.17 -0.08 0.02 0.00 0.00 177.57 177.93 2qdk h GLU 79 N 0.47 0.44 -0.27 1.57 4.57 -1.23 -0.66 114.58 119.47 2qdk h GLU 79 Ca 0.12 -0.05 -0.16 0.00 -1.18 0.00 0.00 59.36 58.09 2qdk h GLU 79 Cb 0.31 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.81 2qdk h GLU 79 CO 0.00 0.38 -0.47 0.93 -1.18 0.00 0.00 179.01 178.67 2qdk h GLU 80 N 0.38 0.71 -0.85 1.92 5.08 -1.06 -1.10 114.58 119.67 2qdk h GLU 80 Ca 0.11 -0.41 -0.03 0.00 -1.00 0.00 0.00 59.36 58.03 2qdk h GLU 80 Cb 0.07 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.31 2qdk h GLU 80 CO -0.02 1.03 0.43 -0.07 -1.00 0.00 0.00 179.01 179.38 2qdk h LEU 81 N 0.56 1.09 -0.60 1.33 3.38 -0.93 -2.13 115.31 118.01 2qdk h LEU 81 Ca 0.03 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2qdk h LEU 81 Cb 1.03 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.47 2qdk h LEU 81 CO 0.10 0.90 0.38 0.00 0.09 0.00 0.00 178.44 179.91 2qdk h ALA 82 N 1.27 0.76 -0.49 1.53 0.00 -0.74 -0.10 119.26 121.49 2qdk h ALA 82 Ca 0.29 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.20 2qdk h ALA 82 Cb 0.08 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 2qdk h ALA 82 CO -0.04 0.21 0.33 1.96 0.00 0.00 0.00 179.25 181.71 2qdk h GLN 83 N 0.81 0.44 0.00 0.00 4.20 -0.89 -2.13 115.11 117.54 2qdk h GLN 83 Ca 0.22 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.90 2qdk h GLN 83 Cb -0.06 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.62 2qdk h GLN 83 CO -0.04 0.29 -0.05 -0.07 -0.67 0.00 0.00 178.83 178.29 2qdk h LEU 84 N 0.45 0.00 0.00 1.46 3.38 -0.72 -3.47 115.31 116.41 2qdk h LEU 84 Ca 0.21 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2qdk h LEU 84 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2qdk h LEU 84 CO -0.05 0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.09 2qdk n GLY 85 N 1.27 0.44 3.74 0.83 0.00 -0.71 -4.73 105.19 106.03 2qdk n GLY 85 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 2qdk n GLY 85 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qdk s ILE 86 N -1.36 3.40 0.00 -0.61 -1.09 -0.13 -4.60 121.20 116.81 2qdk s ILE 86 Ca 0.00 1.19 0.00 0.00 -2.23 0.00 0.00 60.65 59.61 2qdk s ILE 86 Cb 0.00 -3.76 0.00 0.00 -1.58 0.00 0.00 42.46 37.12 2qdk s ILE 86 CO 0.00 0.20 0.00 0.54 -1.23 0.00 0.00 174.94 174.45 2qdk n ARG 87 N 2.37 3.90 -4.47 2.79 5.12 -0.05 -4.17 116.66 122.15 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 -0.68 -0.16 0.00 -1.16 0.00 0.00 32.46 30.89 2qdk n ARG 87 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 2qdk s THR 88 N -1.34 0.95 -0.10 0.55 2.01 -0.82 -1.34 115.64 115.55 2qdk s THR 88 Ca 0.00 -0.38 0.02 0.00 0.31 0.00 0.00 61.69 61.64 2qdk s THR 88 Cb 0.00 -0.88 0.01 0.00 0.01 0.00 0.00 72.50 71.64 2qdk s THR 88 CO 0.00 0.31 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.71 2qdk s PHE 89 N 0.64 2.00 -0.25 4.92 0.40 0.83 -0.75 117.98 125.77 2qdk s PHE 89 Ca -0.12 -0.88 -0.00 0.00 -0.60 0.00 0.00 56.93 55.33 2qdk s PHE 89 Cb -0.14 -1.41 0.04 0.00 0.51 0.00 0.00 43.02 42.01 2qdk s PHE 89 CO 0.02 -0.42 -0.08 -0.51 0.70 0.00 0.00 175.22 174.93 2qdk s LEU 90 N 0.78 3.24 0.08 -0.37 1.43 -0.31 -1.16 118.68 122.36 2qdk s LEU 90 Ca -0.11 -1.05 -0.26 0.00 -1.03 0.00 0.00 54.13 51.68 2qdk s LEU 90 Cb -0.16 -1.62 -0.06 0.00 0.03 0.00 0.00 46.19 44.39 2qdk s LEU 90 CO 0.02 -0.15 0.82 -0.60 0.23 0.00 0.00 176.35 176.66 2qdk s ARG 91 N 1.25 4.56 -0.18 1.70 3.52 -0.33 -0.12 118.95 129.35 2qdk s ARG 91 Ca -0.03 1.18 0.01 0.00 -0.13 0.00 0.00 55.73 56.76 2qdk s ARG 91 Cb -0.18 -3.35 0.02 0.00 -1.56 0.00 0.00 34.95 29.89 2qdk s ARG 91 CO -0.05 0.32 -0.18 -1.50 -0.81 0.00 0.00 175.30 173.08 2qdk s ILE 92 N -0.25 1.95 0.36 4.11 1.10 -1.20 -1.47 121.20 125.80 2qdk s ILE 92 Ca 0.40 -0.90 0.04 0.00 -0.51 0.00 0.00 60.65 59.68 2qdk s ILE 92 Cb -0.22 -1.79 -0.01 0.00 0.15 0.00 0.00 42.46 40.59 2qdk s ILE 92 CO 0.25 0.50 0.13 0.61 -2.11 0.00 0.00 174.94 174.32 2qdk n GLY 93 N 4.65 3.33 3.57 1.50 0.00 -0.37 -4.13 105.19 113.75 2qdk n GLY 93 Ca -0.20 -2.09 -0.29 0.00 0.00 0.00 0.00 46.02 43.45 2qdk n GLY 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qdk s THR 94 N -2.90 3.30 0.11 2.61 -4.23 -1.26 -2.14 115.64 111.12 2qdk s THR 94 Ca 0.19 -1.42 -0.14 0.00 -1.18 0.00 0.00 61.69 59.14 2qdk s THR 94 Cb 0.01 -2.58 0.02 0.00 1.34 0.00 0.00 72.50 71.30 2qdk s THR 94 CO 0.13 0.03 0.34 0.28 -0.54 0.00 0.00 174.62 174.86 2qdk s THR 95 N -1.39 0.09 -0.25 3.99 -1.32 -0.77 -4.90 115.64 111.09 2qdk s THR 95 Ca 0.23 -0.74 -0.08 0.00 -1.21 0.00 0.00 61.69 59.89 2qdk s THR 95 Cb -0.10 -1.19 -0.03 0.00 -1.51 0.00 0.00 72.50 69.67 2qdk s THR 95 CO 0.14 -0.41 0.08 -0.83 -2.21 0.00 0.00 174.62 171.40 2qdk s GLY 96 N -2.74 1.80 0.37 6.08 0.00 -1.23 -2.06 107.32 109.54 2qdk s GLY 96 Ca 0.03 -1.09 -0.17 0.00 0.00 0.00 0.00 44.72 43.48 2qdk s GLY 96 CO -0.11 0.50 0.83 0.00 0.00 0.00 0.00 173.10 174.32 2qdk s ALA 97 N 1.52 3.20 0.00 3.20 0.00 -0.51 -1.83 121.76 127.34 2qdk s ALA 97 Ca 0.06 0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.20 2qdk s ALA 97 Cb -0.15 -2.93 0.00 0.00 0.00 0.00 0.00 23.12 20.04 2qdk s ALA 97 CO 0.04 0.23 0.62 0.44 0.00 0.00 0.00 175.76 177.10 2qdk n ILE 98 N -0.53 0.31 -3.79 0.00 -5.35 -0.07 -1.22 119.36 108.72 2qdk n ILE 98 Ca 0.05 -0.60 -0.36 0.00 -0.27 0.00 0.00 62.75 61.57 2qdk n ILE 98 Cb 0.54 0.91 -0.07 0.00 -1.74 0.00 0.00 39.64 39.28 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 -0.31 3.87 0.57 6.28 -1.52 -1.24 -4.82 119.66 122.50 2qdk s GLN 99 Ca 0.00 -0.17 0.27 0.00 -1.95 0.00 0.00 55.36 53.51 2qdk s GLN 99 Cb 0.00 -3.32 1.71 0.00 -0.22 0.00 0.00 33.01 31.18 2qdk s GLN 99 CO 0.00 0.51 2.22 -1.35 -0.25 0.00 0.00 175.29 176.42 2qdk h PRO 100 N 5.94 0.00 -0.64 2.91 0.11 -1.96 -2.46 132.00 135.90 2qdk h PRO 100 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2qdk h PRO 100 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2qdk h PRO 100 CO 0.68 0.01 0.00 0.72 -0.21 0.00 0.00 178.00 179.21 2qdk n HIS 101 N -3.93 1.72 -3.60 0.65 8.25 -1.26 -4.76 115.22 112.28 2qdk n HIS 101 Ca -0.03 -0.65 -0.40 0.00 -0.26 0.00 0.00 57.72 56.38 2qdk n HIS 101 Cb 0.10 -0.34 -0.11 0.00 1.12 0.00 0.00 29.99 30.76 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 -2.17 4.46 0.29 1.59 1.01 -0.93 -5.08 121.20 120.38 2qdk s ILE 102 Ca 0.53 -1.03 -0.15 0.00 0.00 0.00 0.00 60.65 60.00 2qdk s ILE 102 Cb 0.36 -3.56 -0.09 0.00 0.01 0.00 0.00 42.46 39.18 2qdk s ILE 102 CO 0.22 -0.32 0.70 0.20 0.00 0.00 0.00 174.94 175.74 2qdk s ASN 103 N 1.72 6.78 0.30 3.58 0.02 -1.26 -4.87 114.94 121.22 2qdk s ASN 103 Ca 0.02 1.23 -0.29 0.00 -1.02 0.00 0.00 52.86 52.80 2qdk s ASN 103 Cb -0.20 -2.35 -0.13 0.00 0.02 0.00 0.00 41.25 38.59 2qdk s ASN 103 CO 0.05 -0.15 1.33 0.52 0.02 0.00 0.00 177.10 178.87 2qdk n VAL 104 N -0.17 1.58 0.00 1.60 0.31 -1.26 -0.99 118.33 119.40 2qdk n VAL 104 Ca 0.02 -0.40 0.00 0.00 -0.01 0.00 0.00 64.34 63.96 2qdk n VAL 104 Cb 0.53 -1.52 0.00 0.00 -0.91 0.00 0.00 33.84 31.94 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 1.35 2.81 3.77 2.92 0.00 -0.65 -5.02 105.19 110.37 2qdk n GLY 105 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.24 4.59 -0.12 1.61 -0.00 -0.16 -4.78 116.67 116.57 2qdk s ASP 106 Ca 0.00 1.76 0.02 0.00 -0.00 0.00 0.00 52.55 54.33 2qdk s ASP 106 Cb 0.00 -2.49 -0.01 0.00 -0.00 0.00 0.00 42.92 40.42 2qdk s ASP 106 CO 0.00 -1.97 -0.18 -0.69 -0.00 0.00 0.00 175.17 172.33 2qdk s VAL 107 N -2.93 2.57 -0.17 -1.27 1.01 -0.20 -1.41 120.40 117.99 2qdk s VAL 107 Ca 0.61 -0.83 -0.06 0.00 0.00 0.00 0.00 61.98 61.70 2qdk s VAL 107 Cb -0.17 -2.04 -0.03 0.00 0.00 0.00 0.00 36.38 34.14 2qdk s VAL 107 CO 0.56 0.54 0.02 -0.76 0.00 0.00 0.00 175.10 175.46 2qdk s LEU 108 N 0.38 3.57 -0.19 3.92 1.43 0.59 -1.49 118.68 126.90 2qdk s LEU 108 Ca -0.14 -0.01 -0.05 0.00 -1.03 0.00 0.00 54.13 52.90 2qdk s LEU 108 Cb -0.17 -1.89 -0.03 0.00 0.03 0.00 0.00 46.19 44.14 2qdk s LEU 108 CO 0.07 0.17 -0.00 -0.69 0.23 0.00 0.00 176.35 176.12 2qdk s VAL 109 N 0.39 4.00 -0.22 -1.59 1.01 0.09 -1.22 120.40 122.85 2qdk s VAL 109 Ca 0.00 -0.30 -0.15 0.00 0.00 0.00 0.00 61.98 61.52 2qdk s VAL 109 Cb -0.13 -2.79 -0.04 0.00 0.00 0.00 0.00 36.38 33.42 2qdk s VAL 109 CO 0.01 0.45 0.38 -0.89 0.00 0.00 0.00 175.10 175.05 2qdk s THR 110 N 0.79 5.20 0.04 3.92 2.01 -0.85 -1.77 115.64 124.98 2qdk s THR 110 Ca 0.00 0.65 0.03 0.00 0.31 0.00 0.00 61.69 62.68 2qdk s THR 110 Cb -0.14 -3.71 -0.25 0.00 0.01 0.00 0.00 72.50 68.41 2qdk s THR 110 CO 0.02 0.23 1.00 0.71 -0.69 0.00 0.00 174.62 175.89 2qdk h THR 111 N 5.12 1.34 -2.15 -0.82 1.35 -1.37 -3.41 112.91 112.98 2qdk h THR 111 Ca -0.35 -3.03 0.16 0.00 -0.55 0.00 0.00 66.41 62.65 2qdk h THR 111 Cb 1.16 2.76 -0.13 0.00 -1.73 0.00 0.00 68.15 70.21 2qdk h THR 111 CO 0.70 0.83 0.55 0.00 -0.25 0.00 0.00 175.52 177.34 2qdk s ALA 112 N -2.65 -1.83 0.06 6.62 0.00 -1.26 -0.82 121.76 121.89 2qdk s ALA 112 Ca -0.04 0.78 0.06 0.00 0.00 0.00 0.00 51.96 52.76 2qdk s ALA 112 Cb 0.08 0.42 -0.03 0.00 0.00 0.00 0.00 23.12 23.60 2qdk s ALA 112 CO 0.84 -0.81 -0.17 -1.12 0.00 0.00 0.00 175.76 174.50 2qdk s SER 113 N -2.63 2.06 0.09 0.00 0.01 0.11 -2.15 113.70 111.18 2qdk s SER 113 Ca 0.08 -0.56 -0.31 0.00 1.31 0.00 0.00 55.95 56.48 2qdk s SER 113 Cb -0.01 -0.13 -0.07 0.00 0.21 0.00 0.00 66.02 66.03 2qdk s SER 113 CO -0.05 0.05 1.35 -0.69 0.41 0.00 0.00 173.24 174.31 2qdk s VAL 114 N -0.99 3.52 -1.12 3.43 1.01 0.68 -4.35 120.40 122.58 2qdk s VAL 114 Ca 0.03 1.07 -0.14 0.00 0.00 0.00 0.00 61.98 62.95 2qdk s VAL 114 Cb -0.09 -3.68 0.19 0.00 0.00 0.00 0.00 36.38 32.80 2qdk s VAL 114 CO 0.02 0.07 1.27 -0.13 0.00 0.00 0.00 175.10 176.33 2qdk s ARG 115 N 1.30 4.00 -0.49 2.72 0.52 -1.26 -1.35 118.95 124.39 2qdk s ARG 115 Ca 0.63 -2.58 0.03 0.00 -0.52 0.00 0.00 55.73 53.29 2qdk s ARG 115 Cb -0.34 -4.88 0.58 0.00 0.52 0.00 0.00 34.95 30.82 2qdk s ARG 115 CO 0.29 -1.62 1.88 1.28 0.02 0.00 0.00 175.30 177.16 2qdk n LEU 116 N 5.02 6.69 0.00 2.53 4.77 -0.13 -4.94 117.00 130.95 2qdk n LEU 116 Ca 0.30 -3.88 -0.20 0.00 -0.03 0.00 0.00 56.01 52.20 2qdk n LEU 116 Cb 0.43 -0.84 -0.04 0.00 -2.33 0.00 0.00 43.42 40.64 2qdk n LEU 116 CO 0.55 1.24 -0.15 -0.90 -1.33 0.00 0.00 177.39 176.80 2qdk n ASP 117 N -1.06 2.86 -0.01 -1.43 3.85 -1.19 -1.53 116.55 118.04 2qdk n ASP 117 Ca 0.57 -2.39 -0.01 0.00 -0.71 0.00 0.00 54.79 52.26 2qdk n ASP 117 Cb 1.28 0.22 -0.01 0.00 -1.35 0.00 0.00 41.12 41.26 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 1.22 -0.09 0.21 6.12 0.00 -1.26 -4.78 105.19 106.61 2qdk n GLY 118 Ca -0.13 -0.03 -0.01 0.00 0.00 0.00 0.00 46.02 45.85 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 0.09 1.24 -0.57 4.61 0.00 -1.99 -2.38 119.26 120.27 2qdk h ALA 119 Ca -0.05 -0.34 0.09 0.00 0.00 0.00 0.00 54.91 54.61 2qdk h ALA 119 Cb 1.09 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 2qdk h ALA 119 CO 0.00 0.51 0.38 0.66 0.00 0.00 0.00 179.25 180.80 2qdk h SER 120 N 0.21 0.35 0.64 0.00 4.64 -1.86 -0.47 113.55 117.06 2qdk h SER 120 Ca 0.03 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 2qdk h SER 120 Cb 0.66 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 2qdk h SER 120 CO 0.05 0.21 0.00 0.18 -0.87 0.00 0.00 176.83 176.40 2qdk n LEU 121 N -4.47 0.47 0.00 5.97 4.77 -0.90 -1.22 117.00 121.62 2qdk n LEU 121 Ca 0.09 0.62 0.15 0.00 -0.03 0.00 0.00 56.01 56.84 2qdk n LEU 121 Cb 0.35 -0.56 0.75 0.00 -2.33 0.00 0.00 43.42 41.64 2qdk n LEU 121 CO 0.34 -0.48 1.02 1.41 -1.33 0.00 0.00 177.39 178.35 2qdk n HIS 122 N -2.02 0.00 -0.02 -1.77 8.25 -0.19 -3.93 115.22 115.54 2qdk n HIS 122 Ca 0.02 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.47 2qdk n HIS 122 Cb 0.21 -0.29 -0.02 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 -1.29 0.00 -3.59 4.41 3.01 -0.36 -5.08 117.46 114.56 2qdk n PHE 123 Ca 0.14 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.44 2qdk n PHE 123 Cb 0.24 -0.15 -0.07 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 -2.07 -1.71 0.90 4.37 0.00 -0.82 -5.00 121.76 117.43 2qdk s ALA 124 Ca -0.02 1.60 -0.11 0.00 0.00 0.00 0.00 51.96 53.43 2qdk s ALA 124 Cb 0.01 -0.55 0.13 0.00 0.00 0.00 0.00 23.12 22.71 2qdk s ALA 124 CO 0.12 -0.35 1.10 -1.25 0.00 0.00 0.00 175.76 175.39 2qdk s PRO 125 N -0.43 1.19 0.55 0.00 0.04 -1.26 -4.04 135.00 131.05 2qdk s PRO 125 Ca -0.06 1.19 0.25 0.00 0.04 0.00 0.00 61.00 62.43 2qdk s PRO 125 Cb -0.03 -1.77 1.46 0.00 0.04 0.00 0.00 34.50 34.21 2qdk s PRO 125 CO 0.05 -2.40 2.04 1.98 0.04 0.00 0.00 177.00 178.71 2qdk h MET 126 N -1.68 0.00 0.00 4.56 4.05 -1.94 -1.92 114.93 117.99 2qdk h MET 126 Ca -0.47 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 58.94 2qdk h MET 126 Cb 1.27 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 32.07 2qdk h MET 126 CO 0.48 0.00 -0.04 1.05 0.23 0.00 0.00 176.91 178.63 2qdk h GLU 127 N 0.00 0.00 -6.66 0.39 9.09 -2.03 -3.43 114.58 111.94 2qdk h GLU 127 Ca 0.17 0.00 -0.52 0.00 0.05 0.00 0.00 59.36 59.06 2qdk h GLU 127 Cb 0.75 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.86 2qdk h GLU 127 CO -0.00 0.04 0.51 0.12 0.05 0.00 0.00 179.01 179.73 2qdk s PHE 128 N -4.28 3.53 0.03 2.06 2.19 -0.73 -5.00 117.98 115.79 2qdk s PHE 128 Ca -0.04 1.54 -0.30 0.00 0.33 0.00 0.00 56.93 58.46 2qdk s PHE 128 Cb 0.13 -3.33 -0.04 0.00 -1.31 0.00 0.00 43.02 38.47 2qdk s PHE 128 CO 0.53 -0.82 1.05 -1.25 1.83 0.00 0.00 175.22 176.55 2qdk s PRO 129 N -0.32 4.53 -1.28 10.12 0.04 -1.26 -4.94 135.00 141.88 2qdk s PRO 129 Ca 0.51 1.53 -0.18 0.00 0.04 0.00 0.00 61.00 62.90 2qdk s PRO 129 Cb -0.30 -3.42 0.02 0.00 0.04 0.00 0.00 34.50 30.84 2qdk s PRO 129 CO 0.36 -0.09 1.94 0.00 0.04 0.00 0.00 177.00 179.24 2qdk n ALA 130 N 3.80 3.91 -2.63 8.56 0.00 -1.26 -4.75 120.51 128.15 2qdk n ALA 130 Ca 0.07 -3.70 -0.34 0.00 0.00 0.00 0.00 53.44 49.47 2qdk n ALA 130 Cb 0.49 -3.57 -0.10 0.00 0.00 0.00 0.00 19.45 16.27 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 4.90 3.98 0.57 0.00 0.11 -1.26 -0.72 120.40 127.98 2qdk s VAL 131 Ca 0.54 -0.37 -0.16 0.00 -2.93 0.00 0.00 61.98 59.06 2qdk s VAL 131 Cb 0.08 -2.65 -0.05 0.00 -1.53 0.00 0.00 36.38 32.23 2qdk s VAL 131 CO 0.04 0.60 1.04 0.00 -3.33 0.00 0.00 175.10 173.45 2qdk s ALA 132 N -0.83 2.82 0.28 1.54 0.00 0.00 -4.68 121.76 120.90 2qdk s ALA 132 Ca 0.13 0.35 -0.30 0.00 0.00 0.00 0.00 51.96 52.14 2qdk s ALA 132 Cb -0.11 -3.21 -0.10 0.00 0.00 0.00 0.00 23.12 19.70 2qdk s ALA 132 CO 0.02 -0.65 1.42 0.34 0.00 0.00 0.00 175.76 176.89 2qdk s ASP 133 N -2.81 6.65 0.21 0.00 -1.08 -0.15 -4.95 116.67 114.53 2qdk s ASP 133 Ca 0.63 2.71 -0.08 0.00 -0.52 0.00 0.00 52.55 55.29 2qdk s ASP 133 Cb -0.15 -2.63 0.16 0.00 -1.46 0.00 0.00 42.92 38.84 2qdk s ASP 133 CO 0.35 -0.68 1.80 0.15 0.52 0.00 0.00 175.17 177.30 2qdk h PHE 134 N 4.45 1.16 -0.65 -5.34 3.57 -1.95 -2.10 116.94 116.07 2qdk h PHE 134 Ca -0.47 -0.07 -0.06 0.00 3.53 0.00 0.00 57.97 60.91 2qdk h PHE 134 Cb 1.22 -0.36 -0.03 0.00 2.79 0.00 0.00 35.95 39.58 2qdk h PHE 134 CO 0.58 0.85 0.18 0.00 -2.23 0.00 0.00 178.31 177.70 2qdk h ALA 135 N 1.19 0.85 -0.50 2.41 0.00 -1.96 -0.32 119.26 120.93 2qdk h ALA 135 Ca 0.27 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 2qdk h ALA 135 Cb 0.15 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2qdk h ALA 135 CO -0.03 0.54 0.04 0.00 0.00 0.00 0.00 179.25 179.80 2qdk h THR 137 N 0.73 1.28 -0.32 0.00 2.02 -1.26 -0.59 112.91 114.77 2qdk h THR 137 Ca 0.15 -1.19 0.03 0.00 0.77 0.00 0.00 66.41 66.17 2qdk h THR 137 Cb 0.46 1.24 -0.03 0.00 -1.74 0.00 0.00 68.15 68.07 2qdk h THR 137 CO 0.02 0.40 0.11 0.74 0.37 0.00 0.00 175.52 177.16 2qdk h THR 138 N 0.57 0.92 -0.88 3.16 2.02 -0.92 -1.35 112.91 116.42 2qdk h THR 138 Ca 0.10 -0.09 0.02 0.00 0.77 0.00 0.00 66.41 67.21 2qdk h THR 138 Cb 0.63 0.64 -0.05 0.00 -1.74 0.00 0.00 68.15 67.63 2qdk h THR 138 CO 0.04 0.05 0.58 0.00 0.37 0.00 0.00 175.52 176.56 2qdk h ALA 139 N 1.20 1.13 -0.52 6.16 0.00 -0.53 -1.03 119.26 125.67 2qdk h ALA 139 Ca 0.14 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 2qdk h ALA 139 Cb 0.11 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 2qdk h ALA 139 CO -0.14 0.49 -0.08 -0.07 0.00 0.00 0.00 179.25 179.45 2qdk h LEU 140 N 1.17 0.94 -0.25 0.00 3.38 -0.83 -1.13 115.31 118.59 2qdk h LEU 140 Ca 0.33 -0.29 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 2qdk h LEU 140 Cb -0.10 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.39 2qdk h LEU 140 CO -0.08 1.05 -0.15 0.58 0.09 0.00 0.00 178.44 179.92 2qdk h VAL 141 N 0.86 1.30 -0.10 1.22 2.07 -0.83 -1.39 116.25 119.38 2qdk h VAL 141 Ca 0.14 -1.25 -0.13 0.00 0.82 0.00 0.00 66.70 66.28 2qdk h VAL 141 Cb 0.62 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 2qdk h VAL 141 CO 0.04 0.39 -0.51 -0.33 0.02 0.00 0.00 177.57 177.18 2qdk h GLU 142 N 0.27 0.26 -0.52 1.57 4.39 -1.19 -2.48 114.58 116.89 2qdk h GLU 142 Ca 0.05 -0.15 -0.08 0.00 0.34 0.00 0.00 59.36 59.52 2qdk h GLU 142 Cb 0.67 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.31 2qdk h GLU 142 CO 0.04 0.72 0.01 0.00 -1.16 0.00 0.00 179.01 178.61 2qdk h ALA 143 N 1.26 1.03 -0.83 3.43 0.00 -1.08 -0.87 119.26 122.19 2qdk h ALA 143 Ca 0.01 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.66 2qdk h ALA 143 Cb 0.98 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.52 2qdk h ALA 143 CO 0.08 0.60 0.55 0.00 0.00 0.00 0.00 179.25 180.48 2qdk h ALA 144 N 1.19 1.08 -0.22 0.00 0.00 -0.98 -0.14 119.26 120.19 2qdk h ALA 144 Ca 0.15 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 2qdk h ALA 144 Cb 0.48 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2qdk h ALA 144 CO 0.02 0.42 -0.15 0.87 0.00 0.00 0.00 179.25 180.41 2qdk h LYS 145 N 1.09 0.38 -0.20 0.00 1.57 -0.97 0.21 116.57 118.64 2qdk h LYS 145 Ca 0.32 -0.10 -0.17 0.00 -1.87 0.00 0.00 60.65 58.83 2qdk h LYS 145 Cb -0.06 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.21 2qdk h LYS 145 CO -0.09 0.52 -0.53 0.77 -0.57 0.00 0.00 179.45 179.55 2qdk h SER 146 N 0.35 0.82 0.85 0.86 0.02 -0.49 -3.20 113.55 112.75 2qdk h SER 146 Ca 0.07 -0.57 -0.13 0.00 -0.84 0.00 0.00 61.79 60.32 2qdk h SER 146 Cb 0.47 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.75 2qdk h SER 146 CO 0.03 1.24 -0.60 0.40 -1.14 0.00 0.00 176.83 176.77 2qdk h ILE 147 N 0.43 1.26 -2.61 3.27 1.08 -0.94 -3.49 117.51 116.51 2qdk h ILE 147 Ca -0.01 -2.17 0.00 0.00 -0.39 0.00 0.00 64.86 62.29 2qdk h ILE 147 Cb 1.15 2.23 -0.00 0.00 -3.07 0.00 0.00 36.82 37.12 2qdk h ILE 147 CO 0.11 0.58 -0.10 0.61 -0.69 0.00 0.00 178.15 178.67 2qdk n GLY 148 N 0.54 -3.07 3.42 5.37 0.00 0.05 -5.09 105.19 106.40 2qdk n GLY 148 Ca -0.00 -0.40 -0.14 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.05 -1.46 -0.41 4.61 0.00 -1.15 -5.00 121.76 118.31 2qdk s ALA 149 Ca -0.01 0.63 -0.25 0.00 0.00 0.00 0.00 51.96 52.33 2qdk s ALA 149 Cb 0.00 0.52 0.02 0.00 0.00 0.00 0.00 23.12 23.66 2qdk s ALA 149 CO 0.03 -0.59 0.90 0.99 0.00 0.00 0.00 175.76 177.09 2qdk s THR 150 N -2.80 4.57 0.07 0.00 2.01 -1.26 -4.87 115.64 113.36 2qdk s THR 150 Ca -0.03 0.95 0.09 0.00 0.31 0.00 0.00 61.69 63.00 2qdk s THR 150 Cb -0.00 -4.35 -0.03 0.00 0.01 0.00 0.00 72.50 68.12 2qdk s THR 150 CO -0.05 -0.64 -0.23 0.28 -0.69 0.00 0.00 174.62 173.30 2qdk s THR 151 N 3.52 2.47 -0.02 -0.82 -1.32 -1.26 -1.04 115.64 117.18 2qdk s THR 151 Ca 0.36 -1.43 0.03 0.00 -1.21 0.00 0.00 61.69 59.44 2qdk s THR 151 Cb -0.11 -2.04 -0.00 0.00 -1.51 0.00 0.00 72.50 68.83 2qdk s THR 151 CO 0.21 0.25 -0.11 -1.00 -2.21 0.00 0.00 174.62 171.77 2qdk s HIS 152 N -0.95 1.04 -0.10 9.09 3.76 -0.55 -4.96 115.29 122.62 2qdk s HIS 152 Ca 0.14 -0.23 0.04 0.00 -0.15 0.00 0.00 55.06 54.86 2qdk s HIS 152 Cb -0.10 -0.70 0.00 0.00 1.11 0.00 0.00 32.58 32.89 2qdk s HIS 152 CO 0.05 -0.05 -0.23 0.08 -0.85 0.00 0.00 174.74 173.74 2qdk s VAL 153 N -0.10 2.00 -2.52 -0.90 1.01 -1.26 -0.73 120.40 117.91 2qdk s VAL 153 Ca 0.01 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.01 2qdk s VAL 153 Cb -0.06 -1.74 0.00 0.00 0.00 0.00 0.00 36.38 34.58 2qdk s VAL 153 CO 0.00 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.26 2qdk n GLY 154 N 3.58 -0.56 3.82 4.51 0.00 -0.73 -4.96 105.19 110.85 2qdk n GLY 154 Ca -0.19 -0.76 -0.38 0.00 0.00 0.00 0.00 46.02 44.69 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 -3.29 4.80 0.03 1.61 1.01 -1.26 -0.90 120.40 122.40 2qdk s VAL 155 Ca 0.00 1.11 0.08 0.00 0.00 0.00 0.00 61.98 63.17 2qdk s VAL 155 Cb 0.00 -3.85 -0.03 0.00 0.00 0.00 0.00 36.38 32.51 2qdk s VAL 155 CO 0.00 0.52 -0.23 -0.89 0.00 0.00 0.00 175.10 174.50 2qdk s THR 156 N -1.15 2.39 -0.23 3.92 2.01 -0.91 -0.84 115.64 120.83 2qdk s THR 156 Ca 0.29 -1.25 -0.17 0.00 0.31 0.00 0.00 61.69 60.87 2qdk s THR 156 Cb -0.18 -1.94 -0.03 0.00 0.01 0.00 0.00 72.50 70.35 2qdk s THR 156 CO 0.18 0.40 0.48 0.00 -0.69 0.00 0.00 174.62 174.99 2qdk s ALA 157 N -0.81 3.57 -0.35 7.40 0.00 0.13 -0.23 121.76 131.46 2qdk s ALA 157 Ca 0.12 -0.55 -0.09 0.00 0.00 0.00 0.00 51.96 51.44 2qdk s ALA 157 Cb -0.10 -2.79 0.03 0.00 0.00 0.00 0.00 23.12 20.26 2qdk s ALA 157 CO 0.02 -0.55 0.16 0.45 0.00 0.00 0.00 175.76 175.84 2qdk s SER 158 N 1.34 5.52 -0.06 0.00 0.15 -0.46 -1.70 113.70 118.48 2qdk s SER 158 Ca 0.21 -1.03 -0.01 0.00 0.70 0.00 0.00 55.95 55.82 2qdk s SER 158 Cb -0.15 -1.95 -0.03 0.00 -1.71 0.00 0.00 66.02 62.17 2qdk s SER 158 CO 0.09 -0.35 -0.01 -0.55 1.20 0.00 0.00 173.24 173.63 2qdk s SER 159 N 1.49 5.14 0.00 5.45 0.15 -0.17 -0.95 113.70 124.81 2qdk s SER 159 Ca 0.01 0.09 0.23 0.00 0.70 0.00 0.00 55.95 56.98 2qdk s SER 159 Cb -0.19 -1.40 1.10 0.00 -1.71 0.00 0.00 66.02 63.82 2qdk s SER 159 CO 0.05 0.35 1.76 0.47 1.20 0.00 0.00 173.24 177.08 2qdk n ASP 160 N 1.98 0.00 -4.25 5.45 10.43 -0.59 -4.36 116.55 125.21 2qdk n ASP 160 Ca -0.18 0.20 -0.18 0.00 2.57 0.00 0.00 54.79 57.21 2qdk n ASP 160 Cb 0.53 -0.38 -0.11 0.00 1.84 0.00 0.00 41.12 43.00 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 -2.76 1.34 0.05 -3.53 -4.23 -1.26 -5.02 115.64 100.22 2qdk s THR 161 Ca 0.17 -1.79 0.09 0.00 -1.18 0.00 0.00 61.69 58.98 2qdk s THR 161 Cb 0.16 -1.60 -0.22 0.00 1.34 0.00 0.00 72.50 72.17 2qdk s THR 161 CO 0.39 -0.47 1.02 0.15 -0.54 0.00 0.00 174.62 175.17 2qdk h PHE 162 N 3.37 0.02 0.00 3.99 3.04 -1.97 -3.38 116.94 122.00 2qdk h PHE 162 Ca -0.39 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.55 2qdk h PHE 162 Cb 1.20 -0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.71 2qdk h PHE 162 CO 0.66 1.01 0.00 0.66 -2.02 0.00 0.00 178.31 178.62 2qdk n TYR 163 N -3.23 0.00 0.03 0.41 4.02 -1.26 -4.36 117.16 112.77 2qdk n TYR 163 Ca -0.07 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 57.80 2qdk n TYR 163 Cb 0.99 0.00 0.27 0.00 -0.02 0.00 0.00 39.34 40.57 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 0.45 0.00 -0.72 0.13 -1.88 -0.49 132.00 129.49 2qdk h PRO 164 Ca 0.00 -0.13 -0.01 0.00 -0.87 0.00 0.00 66.00 64.99 2qdk h PRO 164 Cb 0.00 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 31.08 2qdk h PRO 164 CO 0.00 0.59 -0.05 0.78 -0.23 0.00 0.00 178.00 179.09 2qdk h GLY 165 N 0.92 0.00 -2.64 1.56 0.00 -1.87 0.67 103.07 101.72 2qdk h GLY 165 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 2qdk h GLY 165 CO 0.03 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.51 2qdk n GLN 166 N -3.23 3.95 -3.94 4.80 6.02 -0.91 -4.94 117.38 119.13 2qdk n GLN 166 Ca -0.01 -2.99 -0.26 0.00 -0.01 0.00 0.00 57.00 53.73 2qdk n GLN 166 Cb 0.25 -2.04 -0.01 0.00 1.02 0.00 0.00 30.24 29.46 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 0.17 -3.74 -3.22 -1.09 2.13 0.23 -4.94 120.64 110.19 2qdk n GLU 167 Ca 0.25 0.45 -0.39 0.00 0.66 0.00 0.00 57.16 58.13 2qdk n GLU 167 Cb 1.03 -4.78 -0.05 0.00 0.27 0.00 0.00 31.44 27.91 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 -6.50 4.38 0.00 5.31 0.52 -0.24 -4.96 118.95 117.45 2qdk s ARG 168 Ca 0.14 0.61 0.16 0.00 -0.52 0.00 0.00 55.73 56.12 2qdk s ARG 168 Cb -0.07 -3.44 -0.18 0.00 0.52 0.00 0.00 34.95 31.78 2qdk s ARG 168 CO 0.88 0.12 0.70 0.66 0.02 0.00 0.00 175.30 177.68 2qdk n TYR 169 N 3.71 0.00 -1.68 -0.53 4.02 -1.26 -4.41 117.16 117.01 2qdk n TYR 169 Ca -0.05 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.43 2qdk n TYR 169 Cb 0.51 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.82 2qdk n TYR 169 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 2qdk n ASP 170 N -1.39 6.48 -3.96 7.72 8.00 -1.26 -4.19 116.55 127.96 2qdk n ASP 170 Ca 0.03 -2.81 -0.22 0.00 0.71 0.00 0.00 54.79 52.50 2qdk n ASP 170 Cb 0.26 -1.56 -0.09 0.00 -0.02 0.00 0.00 41.12 39.71 2qdk n ASP 170 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2qdk s THR 171 N 1.85 0.43 0.17 -3.53 -4.23 -1.26 -5.02 115.64 104.04 2qdk s THR 171 Ca 0.56 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.92 2qdk s THR 171 Cb 0.16 -2.45 0.06 0.00 1.34 0.00 0.00 72.50 71.61 2qdk s THR 171 CO -0.07 0.00 1.73 0.22 -0.54 0.00 0.00 174.62 175.97 2qdk h TYR 172 N 2.01 0.18 0.00 3.99 5.03 -1.99 -3.10 116.97 123.08 2qdk h TYR 172 Ca -0.33 0.02 -0.26 0.00 2.58 0.00 0.00 58.73 60.74 2qdk h TYR 172 Cb 1.26 -0.02 -0.04 0.00 1.55 0.00 0.00 36.73 39.48 2qdk h TYR 172 CO 1.34 0.04 -1.59 0.66 -1.32 0.00 0.00 178.16 177.28 2qdk h SER 173 N 0.24 0.00 -0.04 -2.11 4.64 -1.97 -3.47 113.55 110.84 2qdk h SER 173 Ca 0.20 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.51 2qdk h SER 173 Cb 0.23 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.32 2qdk h SER 173 CO -0.25 0.90 -0.01 0.61 -0.87 0.00 0.00 176.83 177.21 2qdk n GLY 174 N 1.50 0.37 3.60 -0.77 0.00 -1.17 -5.01 105.19 103.71 2qdk n GLY 174 Ca -0.14 -0.06 -0.23 0.00 0.00 0.00 0.00 46.02 45.59 2qdk n GLY 174 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2qdk s ARG 175 N -0.99 2.11 -0.05 1.61 1.70 -1.26 -4.89 118.95 117.17 2qdk s ARG 175 Ca 0.00 -1.54 0.01 0.00 -0.47 0.00 0.00 55.73 53.74 2qdk s ARG 175 Cb 0.00 -2.04 0.02 0.00 -0.57 0.00 0.00 34.95 32.36 2qdk s ARG 175 CO 0.00 0.34 -0.07 0.08 -1.08 0.00 0.00 175.30 174.56 2qdk s VAL 176 N -2.39 0.77 0.64 4.99 1.01 -1.26 -4.91 120.40 119.25 2qdk s VAL 176 Ca 0.31 -0.26 -0.18 0.00 0.00 0.00 0.00 61.98 61.86 2qdk s VAL 176 Cb -0.06 -0.75 -0.03 0.00 0.00 0.00 0.00 36.38 35.54 2qdk s VAL 176 CO 0.19 0.28 0.93 0.55 0.00 0.00 0.00 175.10 177.05 2qdk n VAL 177 N 3.99 3.49 -0.28 2.92 3.14 -1.26 -4.54 118.33 125.79 2qdk n VAL 177 Ca -0.24 -0.47 0.06 0.00 -2.96 0.00 0.00 64.34 60.73 2qdk n VAL 177 Cb 0.51 -1.11 0.16 0.00 -1.06 0.00 0.00 33.84 32.34 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 0.24 0.05 -0.88 1.45 2.43 -2.00 0.45 114.38 116.10 2qdk h ARG 178 Ca -0.48 -0.00 0.22 0.00 -0.81 0.00 0.00 59.98 58.91 2qdk h ARG 178 Cb 1.36 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.84 2qdk h ARG 178 CO 0.49 0.03 0.60 -0.09 -1.51 0.00 0.00 179.97 179.50 2qdk h ARG 179 N 0.05 0.23 -0.01 0.20 2.43 -2.02 -2.40 114.38 112.86 2qdk h ARG 179 Ca 0.43 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.59 2qdk h ARG 179 Cb 0.75 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.25 2qdk h ARG 179 CO -0.77 0.15 -0.41 1.19 -1.51 0.00 0.00 179.97 178.62 2qdk n PHE 180 N -4.42 0.00 -2.07 2.20 3.01 0.10 -4.75 117.46 111.54 2qdk n PHE 180 Ca 0.19 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.23 2qdk n PHE 180 Cb 0.80 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.24 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 -1.96 4.23 0.00 -1.08 1.02 -0.91 -1.95 119.74 119.10 2qdk s LYS 181 Ca 0.11 2.15 0.00 0.00 0.02 0.00 0.00 55.97 58.25 2qdk s LYS 181 Cb 0.12 -3.62 0.00 0.00 -0.52 0.00 0.00 37.83 33.80 2qdk s LYS 181 CO 0.44 -0.68 0.00 0.41 -0.92 0.00 0.00 175.35 174.60 2qdk n GLY 182 N 3.85 0.65 0.17 -3.33 0.00 -1.26 -4.93 105.19 100.35 2qdk n GLY 182 Ca 0.15 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.56 1.61 4.64 -1.68 -2.97 113.55 114.93 2qdk h SER 183 Ca 0.00 -0.20 -0.00 0.00 -0.47 0.00 0.00 61.79 61.12 2qdk h SER 183 Cb 0.07 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 62.03 2qdk h SER 183 CO 0.00 0.89 0.34 -0.03 -0.87 0.00 0.00 176.83 177.16 2qdk h MET 184 N 0.21 0.75 -0.40 4.77 -1.53 -1.92 -0.44 114.93 116.37 2qdk h MET 184 Ca -0.01 -0.06 -0.06 0.00 -3.44 0.00 0.00 59.70 56.12 2qdk h MET 184 Cb 1.17 -0.16 -0.02 0.00 -0.55 0.00 0.00 31.60 32.04 2qdk h MET 184 CO 0.10 0.53 -0.01 1.49 0.14 0.00 0.00 176.91 179.16 2qdk h GLU 185 N 0.75 0.65 0.05 0.39 4.22 -1.96 -0.64 114.58 118.05 2qdk h GLU 185 Ca 0.20 -0.16 -0.00 0.00 0.08 0.00 0.00 59.36 59.48 2qdk h GLU 185 Cb -0.03 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.14 2qdk h GLU 185 CO -0.04 0.68 -0.02 0.93 -2.18 0.00 0.00 179.01 178.38 2qdk h GLU 186 N 0.62 -0.07 -0.48 1.92 5.08 -1.20 -1.72 114.58 118.73 2qdk h GLU 186 Ca 0.12 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.44 2qdk h GLU 186 Cb 0.41 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 2qdk h GLU 186 CO 0.02 0.09 0.10 -1.49 -1.00 0.00 0.00 179.01 176.73 2qdk h TRP 187 N -0.21 0.74 -0.34 4.33 -0.00 -0.82 -2.22 115.95 117.43 2qdk h TRP 187 Ca -0.01 -0.06 0.01 0.00 -0.00 0.00 0.00 58.89 58.83 2qdk h TRP 187 Cb 0.19 -0.22 -0.02 0.00 -0.00 0.00 0.00 29.16 29.11 2qdk h TRP 187 CO -0.03 0.64 0.21 0.37 -0.00 0.00 0.00 178.44 179.63 2qdk h GLN 188 N 0.70 0.42 0.00 0.49 4.15 -0.95 -1.59 115.11 118.33 2qdk h GLN 188 Ca 0.16 -0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.52 2qdk h GLN 188 Cb 0.28 -0.09 -0.00 0.00 0.21 0.00 0.00 27.48 27.87 2qdk h GLN 188 CO -0.00 0.28 -0.15 0.00 -1.93 0.00 0.00 178.83 177.03 2qdk h ALA 189 N 1.14 1.19 -0.04 3.38 0.00 -0.92 -1.99 119.26 122.02 2qdk h ALA 189 Ca 0.13 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2qdk h ALA 189 Cb -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2qdk h ALA 189 CO -0.05 0.19 0.00 -1.33 0.00 0.00 0.00 179.25 178.06 2qdk n MET 190 N -3.54 1.53 -0.52 0.00 2.81 -0.76 -4.93 117.12 111.71 2qdk n MET 190 Ca -0.01 -0.78 0.00 0.00 -1.81 0.00 0.00 57.70 55.10 2qdk n MET 190 Cb 0.29 -1.46 0.00 0.00 -0.71 0.00 0.00 33.22 31.34 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 0.75 3.73 3.03 0.00 -0.75 -5.03 105.19 108.04 2qdk n GLY 191 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.41 2.43 0.08 1.61 1.01 -0.67 -4.64 120.40 117.80 2qdk s VAL 192 Ca 0.00 0.33 0.02 0.00 0.00 0.00 0.00 61.98 62.33 2qdk s VAL 192 Cb 0.00 -3.21 -0.25 0.00 0.00 0.00 0.00 36.38 32.92 2qdk s VAL 192 CO 0.00 0.04 1.15 0.24 0.00 0.00 0.00 175.10 176.53 2qdk h MET 193 N 5.85 0.13 -1.98 2.72 0.00 -1.32 -3.42 114.93 116.91 2qdk h MET 193 Ca -0.45 -0.21 0.23 0.00 0.00 0.00 0.00 59.70 59.27 2qdk h MET 193 Cb 1.21 0.08 -0.10 0.00 0.00 0.00 0.00 31.60 32.79 2qdk h MET 193 CO 0.85 1.06 0.62 0.54 0.00 0.00 0.00 176.91 179.99 2qdk s ASN 194 N -6.86 -0.14 -0.01 1.22 4.22 -1.26 -0.89 114.94 111.22 2qdk s ASN 194 Ca -0.02 -0.27 0.03 0.00 -2.14 0.00 0.00 52.86 50.46 2qdk s ASN 194 Cb 0.08 0.35 -0.03 0.00 1.28 0.00 0.00 41.25 42.93 2qdk s ASN 194 CO 0.85 -0.64 -0.09 -0.31 -2.04 0.00 0.00 177.10 174.87 2qdk s TYR 195 N -2.93 2.85 0.00 1.54 2.02 -0.76 -0.69 117.35 119.37 2qdk s TYR 195 Ca 0.12 -0.06 0.00 0.00 -0.37 0.00 0.00 57.07 56.76 2qdk s TYR 195 Cb 0.01 -1.61 0.00 0.00 -0.40 0.00 0.00 41.96 39.96 2qdk s TYR 195 CO -0.01 0.34 0.00 -0.85 -1.57 0.00 0.00 175.55 173.46 2qdk n GLU 196 N 1.74 0.00 0.00 -0.62 -0.00 -0.69 -3.48 120.64 117.58 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 0.47 0.00 3.44 2.81 -1.26 -0.99 117.12 121.59 2qdk n MET 197 Ca 0.00 -0.69 0.00 0.00 -1.81 0.00 0.00 57.70 55.20 2qdk n MET 197 Cb 0.00 -0.83 0.00 0.00 -0.71 0.00 0.00 33.22 31.68 2qdk n MET 197 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2qdk n GLU 198 N -0.14 2.38 -0.03 0.03 4.71 -1.26 -3.30 120.64 123.03 2qdk n GLU 198 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 57.16 57.03 2qdk n GLU 198 Cb 0.19 -0.76 0.01 0.00 -1.01 0.00 0.00 31.44 29.87 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 0.78 -0.55 1.62 4.64 -1.94 -1.83 113.55 116.27 2qdk h SER 199 Ca 0.00 -0.43 0.04 0.00 -0.47 0.00 0.00 61.79 60.93 2qdk h SER 199 Cb 0.00 -0.22 -0.04 0.00 -0.31 0.00 0.00 62.40 61.82 2qdk h SER 199 CO 0.00 1.18 0.31 0.00 -0.87 0.00 0.00 176.83 177.45 2qdk h ALA 200 N 0.83 0.72 0.37 5.18 0.00 -1.87 0.20 119.26 124.68 2qdk h ALA 200 Ca 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2qdk h ALA 200 Cb 1.15 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2qdk h ALA 200 CO 0.12 -0.01 -0.18 1.15 0.00 0.00 0.00 179.25 180.33 2qdk h THR 201 N 0.60 0.64 -0.14 0.00 2.02 -1.88 -1.81 112.91 112.34 2qdk h THR 201 Ca 0.24 -0.30 0.05 0.00 0.77 0.00 0.00 66.41 67.16 2qdk h THR 201 Cb 0.10 0.80 -0.05 0.00 -1.74 0.00 0.00 68.15 67.25 2qdk h THR 201 CO -0.14 0.06 -0.21 0.25 0.37 0.00 0.00 175.52 175.85 2qdk h LEU 202 N -0.66 -0.65 -0.54 2.58 5.85 -1.03 -0.69 115.31 120.16 2qdk h LEU 202 Ca -0.05 0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.72 2qdk h LEU 202 Cb 0.47 0.30 -0.02 0.00 0.37 0.00 0.00 40.66 41.78 2qdk h LEU 202 CO 0.08 -0.26 0.11 -0.07 -0.34 0.00 0.00 178.44 177.96 2qdk h LEU 203 N -0.26 0.83 -0.23 2.25 3.38 -0.67 -1.92 115.31 118.68 2qdk h LEU 203 Ca 0.10 -0.25 -0.06 0.00 0.09 0.00 0.00 57.88 57.76 2qdk h LEU 203 Cb 0.42 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2qdk h LEU 203 CO -0.29 0.87 -0.10 0.74 0.09 0.00 0.00 178.44 179.75 2qdk h THR 204 N 0.76 1.30 -0.25 0.22 2.02 -1.17 -0.50 112.91 115.29 2qdk h THR 204 Ca 0.17 -1.15 -0.09 0.00 0.77 0.00 0.00 66.41 66.10 2qdk h THR 204 Cb 0.37 1.56 -0.01 0.00 -1.74 0.00 0.00 68.15 68.33 2qdk h THR 204 CO 0.01 0.36 -0.23 0.00 0.37 0.00 0.00 175.52 176.02 2qdk h MET 205 N 0.20 0.47 -0.05 6.66 -0.00 -1.07 -2.04 114.93 119.10 2qdk h MET 205 Ca 0.05 -0.17 -0.05 0.00 -0.00 0.00 0.00 59.70 59.53 2qdk h MET 205 Cb 0.59 -0.03 0.00 0.00 -0.00 0.00 0.00 31.60 32.16 2qdk h MET 205 CO 0.03 0.67 -0.18 0.00 -0.00 0.00 0.00 176.91 177.43 2qdk h ALA 207 N 0.41 1.36 -0.27 0.00 0.00 -0.98 -1.47 119.26 118.31 2qdk h ALA 207 Ca -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2qdk h ALA 207 Cb 0.82 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2qdk h ALA 207 CO 0.04 0.12 0.00 -1.13 0.00 0.00 0.00 179.25 178.28 2qdk n SER 208 N -3.72 3.14 -0.17 0.00 3.41 -0.78 -4.39 113.62 111.12 2qdk n SER 208 Ca -0.02 -1.96 0.03 0.00 -0.26 0.00 0.00 58.87 56.66 2qdk n SER 208 Cb 0.20 -0.17 0.04 0.00 -0.26 0.00 0.00 64.21 64.02 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 1.32 0.95 -1.13 4.33 6.02 -0.71 -5.00 117.38 123.16 2qdk n GLN 209 Ca 0.18 -1.40 -0.04 0.00 -0.01 0.00 0.00 57.00 55.73 2qdk n GLN 209 Cb 0.58 -0.86 -0.02 0.00 1.02 0.00 0.00 30.24 30.95 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 -0.48 0.71 3.88 1.08 0.00 -1.04 -5.03 105.19 104.32 2qdk n GLY 210 Ca 0.04 -0.56 -0.31 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.01 4.22 -0.14 0.99 1.43 -0.64 -5.06 118.68 118.47 2qdk s LEU 211 Ca 0.00 0.20 -0.15 0.00 -1.03 0.00 0.00 54.13 53.15 2qdk s LEU 211 Cb 0.00 -2.84 -0.05 0.00 0.03 0.00 0.00 46.19 43.34 2qdk s LEU 211 CO 0.00 0.17 0.33 -0.13 0.23 0.00 0.00 176.35 176.95 2qdk s ARG 212 N -2.50 4.25 0.03 1.70 0.52 -0.45 -4.02 118.95 118.48 2qdk s ARG 212 Ca 0.34 0.18 0.03 0.00 -0.52 0.00 0.00 55.73 55.75 2qdk s ARG 212 Cb -0.13 -3.42 -0.02 0.00 0.52 0.00 0.00 34.95 31.91 2qdk s ARG 212 CO 0.27 0.25 -0.09 0.00 0.02 0.00 0.00 175.30 175.75 2qdk s ALA 213 N 0.41 0.67 0.11 2.13 0.00 -1.26 -0.12 121.76 123.70 2qdk s ALA 213 Ca 0.19 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.47 2qdk s ALA 213 Cb -0.14 -0.03 -0.04 0.00 0.00 0.00 0.00 23.12 22.91 2qdk s ALA 213 CO 0.06 0.05 -0.01 0.20 0.00 0.00 0.00 175.76 176.06 2qdk s GLY 214 N -1.23 0.86 -0.04 0.00 0.00 -0.31 -0.97 107.32 105.62 2qdk s GLY 214 Ca -0.05 -1.40 -0.03 0.00 0.00 0.00 0.00 44.72 43.24 2qdk s GLY 214 CO 0.01 -1.42 0.10 -0.29 0.00 0.00 0.00 173.10 171.50 2qdk s MET 215 N -3.93 0.08 0.04 2.90 1.75 -1.26 -1.19 119.30 117.70 2qdk s MET 215 Ca 0.16 0.23 0.04 0.00 -1.25 0.00 0.00 55.69 54.87 2qdk s MET 215 Cb 0.07 -0.07 -0.02 0.00 2.84 0.00 0.00 34.83 37.65 2qdk s MET 215 CO -0.02 -0.09 -0.12 0.54 -0.65 0.00 0.00 175.02 174.67 2qdk s VAL 216 N 0.59 0.97 -0.01 10.11 0.11 -0.54 -2.00 120.40 129.62 2qdk s VAL 216 Ca -0.04 -0.95 -0.08 0.00 -2.93 0.00 0.00 61.98 57.97 2qdk s VAL 216 Cb -0.06 -0.89 0.01 0.00 -1.53 0.00 0.00 36.38 33.90 2qdk s VAL 216 CO -0.03 -0.05 0.17 0.00 -3.33 0.00 0.00 175.10 171.87 2qdk s ALA 217 N -0.88 -0.42 -0.07 1.54 0.00 -0.36 -1.23 121.76 120.34 2qdk s ALA 217 Ca -0.00 0.02 -0.10 0.00 0.00 0.00 0.00 51.96 51.88 2qdk s ALA 217 Cb -0.08 0.06 -0.05 0.00 0.00 0.00 0.00 23.12 23.05 2qdk s ALA 217 CO 0.01 -0.20 0.25 0.20 0.00 0.00 0.00 175.76 176.01 2qdk s GLY 218 N -1.21 2.29 -0.27 0.00 0.00 -0.91 -0.30 107.32 106.92 2qdk s GLY 218 Ca -0.13 -0.48 -0.25 0.00 0.00 0.00 0.00 44.72 43.86 2qdk s GLY 218 CO 0.02 -0.18 0.88 0.14 0.00 0.00 0.00 173.10 173.96 2qdk s VAL 219 N -1.06 4.75 -0.58 1.40 1.01 -0.50 -1.85 120.40 123.56 2qdk s VAL 219 Ca 0.19 1.52 0.19 0.00 0.00 0.00 0.00 61.98 63.88 2qdk s VAL 219 Cb -0.14 -4.20 -0.24 0.00 0.00 0.00 0.00 36.38 31.81 2qdk s VAL 219 CO 0.08 -0.21 0.66 2.30 0.00 0.00 0.00 175.10 177.94 2qdk n ILE 220 N 5.46 0.00 -3.52 2.22 -5.35 -0.88 -1.64 119.36 115.65 2qdk n ILE 220 Ca 0.07 -0.19 -0.16 0.00 -0.27 0.00 0.00 62.75 62.19 2qdk n ILE 220 Cb 0.47 0.67 -0.06 0.00 -1.74 0.00 0.00 39.64 38.99 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 -2.97 0.00 -0.17 7.28 0.11 -1.24 -4.65 120.40 118.75 2qdk s VAL 221 Ca 0.02 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.08 2qdk s VAL 221 Cb 0.13 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.99 2qdk s VAL 221 CO 0.78 0.00 -0.17 0.21 -3.33 0.00 0.00 175.10 172.59 2qdk s ASN 222 N -1.29 3.41 0.35 3.54 3.84 -1.26 -1.42 114.94 122.12 2qdk s ASN 222 Ca -0.09 -0.56 0.26 0.00 0.21 0.00 0.00 52.86 52.68 2qdk s ASN 222 Cb -0.00 -1.53 1.23 0.00 -0.55 0.00 0.00 41.25 40.40 2qdk s ASN 222 CO 0.07 0.03 1.79 0.03 -2.79 0.00 0.00 177.10 176.23 2qdk h ARG 223 N 7.69 0.00 0.00 0.43 2.47 -1.51 -2.45 114.38 121.02 2qdk h ARG 223 Ca -0.39 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.33 2qdk h ARG 223 Cb 1.16 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.48 2qdk h ARG 223 CO 0.60 0.00 -1.13 0.25 0.56 0.00 0.00 179.97 180.25 2qdk n THR 224 N -2.43 0.06 -3.04 2.04 -2.24 -1.26 -4.98 114.28 102.44 2qdk n THR 224 Ca 0.00 -0.17 -0.23 0.00 -2.27 0.00 0.00 64.05 61.38 2qdk n THR 224 Cb 0.16 0.48 0.01 0.00 -2.10 0.00 0.00 70.33 68.87 2qdk n THR 224 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2qdk s GLN 225 N -3.16 3.17 -0.15 -0.78 -0.21 -0.92 -5.04 119.66 112.57 2qdk s GLN 225 Ca 0.04 -0.42 -0.05 0.00 0.02 0.00 0.00 55.36 54.95 2qdk s GLN 225 Cb 0.15 -2.57 -0.25 0.00 1.00 0.00 0.00 33.01 31.35 2qdk s GLN 225 CO 0.84 -0.19 0.26 1.04 -2.12 0.00 0.00 175.29 175.12 2qdk n GLN 226 N -2.03 0.74 -2.89 2.91 6.02 -1.26 -4.89 117.38 115.97 2qdk n GLN 226 Ca 0.00 0.24 -0.42 0.00 -0.01 0.00 0.00 57.00 56.82 2qdk n GLN 226 Cb 0.57 -1.68 -0.04 0.00 1.02 0.00 0.00 30.24 30.11 2qdk n GLN 226 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 2qdk s GLU 227 N -2.55 4.19 -0.29 -1.09 2.02 -1.26 -5.02 118.70 114.69 2qdk s GLU 227 Ca -0.25 0.94 -0.19 0.00 0.02 0.00 0.00 54.97 55.49 2qdk s GLU 227 Cb 0.07 -3.64 -0.01 0.00 0.10 0.00 0.00 34.13 30.64 2qdk s GLU 227 CO 0.74 -0.51 0.59 0.42 0.02 0.00 0.00 175.26 176.51 2qdk s ILE 228 N 2.81 4.98 0.73 -1.63 1.01 -1.26 -4.90 121.20 122.94 2qdk s ILE 228 Ca 0.35 0.82 -0.16 0.00 0.00 0.00 0.00 60.65 61.66 2qdk s ILE 228 Cb -0.15 -3.94 0.04 0.00 0.01 0.00 0.00 42.46 38.41 2qdk s ILE 228 CO 0.07 -0.08 1.25 -2.84 0.00 0.00 0.00 174.94 173.34 2qdk s PRO 229 N 2.50 2.08 0.64 2.79 0.02 -1.26 -4.99 135.00 136.78 2qdk s PRO 229 Ca 0.23 1.90 -0.12 0.00 0.02 0.00 0.00 61.00 63.03 2qdk s PRO 229 Cb -0.15 -1.81 -0.02 0.00 0.02 0.00 0.00 34.50 32.54 2qdk s PRO 229 CO 0.11 -1.91 1.04 0.54 -0.33 0.00 0.00 177.00 176.45 2qdk s ASN 230 N -1.80 5.78 0.62 2.53 2.20 -1.26 -4.91 114.94 118.10 2qdk s ASN 230 Ca 0.78 1.60 0.32 0.00 -0.94 0.00 0.00 52.86 54.61 2qdk s ASN 230 Cb -0.33 -2.50 1.82 0.00 -2.00 0.00 0.00 41.25 38.24 2qdk s ASN 230 CO 0.45 -1.17 2.13 0.00 -2.94 0.00 0.00 177.10 175.58 2qdk h ALA 231 N -0.27 1.56 0.09 3.54 0.00 -1.99 -2.49 119.26 119.70 2qdk h ALA 231 Ca -0.45 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 2qdk h ALA 231 Cb 1.20 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2qdk h ALA 231 CO 0.59 -0.23 -0.04 0.93 0.00 0.00 0.00 179.25 180.49 2qdk h GLU 232 N 0.00 -0.12 0.00 0.00 4.39 -2.01 -3.02 114.58 113.82 2qdk h GLU 232 Ca 0.05 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.76 2qdk h GLU 232 Cb 0.40 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 2qdk h GLU 232 CO -0.00 0.38 0.00 -2.37 -1.16 0.00 0.00 179.01 175.86 2qdk n THR 233 N -4.88 0.79 0.17 1.13 5.66 -0.99 -1.35 114.28 114.81 2qdk n THR 233 Ca -0.08 0.16 0.04 0.00 -3.05 0.00 0.00 64.05 61.12 2qdk n THR 233 Cb 0.28 -1.09 0.23 0.00 -1.55 0.00 0.00 70.33 68.20 2qdk n THR 233 CO 0.00 0.00 0.00 0.24 -3.05 0.00 0.00 175.07 172.26 2qdk h MET 234 N 0.00 0.00 -0.20 1.09 2.86 -1.44 -3.23 114.93 114.00 2qdk h MET 234 Ca 0.00 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.49 2qdk h MET 234 Cb 0.42 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.07 2qdk h MET 234 CO 0.00 0.44 -0.49 0.87 1.06 0.00 0.00 176.91 178.79 2qdk h LYS 235 N 0.00 0.55 -0.43 1.72 1.79 -1.08 -2.79 116.57 116.32 2qdk h LYS 235 Ca -0.00 -0.32 -0.12 0.00 -2.18 0.00 0.00 60.65 58.03 2qdk h LYS 235 Cb 1.07 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.73 2qdk h LYS 235 CO 0.06 0.91 -0.20 0.37 -1.08 0.00 0.00 179.45 179.51 2qdk h GLN 236 N 0.43 0.85 -0.51 3.15 4.15 -1.59 -1.83 115.11 119.77 2qdk h GLN 236 Ca 0.02 -0.34 0.00 0.00 0.77 0.00 0.00 58.65 59.10 2qdk h GLN 236 Cb 1.01 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 28.64 2qdk h GLN 236 CO 0.09 0.98 0.33 1.15 -1.93 0.00 0.00 178.83 179.46 2qdk h THR 237 N 0.74 1.14 0.36 2.39 2.02 -1.57 -1.82 112.91 116.16 2qdk h THR 237 Ca 0.10 -0.26 -0.00 0.00 0.77 0.00 0.00 66.41 67.02 2qdk h THR 237 Cb 0.74 0.39 -0.03 0.00 -1.74 0.00 0.00 68.15 67.51 2qdk h THR 237 CO 0.06 0.13 -0.40 -0.08 0.37 0.00 0.00 175.52 175.60 2qdk h GLU 238 N 0.69 -0.76 -1.09 6.66 4.81 -1.26 -1.91 114.58 121.72 2qdk h GLU 238 Ca 0.19 0.05 0.30 0.00 -0.13 0.00 0.00 59.36 59.77 2qdk h GLU 238 Cb -0.07 0.17 -0.08 0.00 0.63 0.00 0.00 28.75 29.41 2qdk h GLU 238 CO -0.04 -0.51 0.73 0.77 -0.73 0.00 0.00 179.01 179.24 2qdk h SER 239 N -0.79 0.28 0.12 1.04 0.02 -1.05 0.13 113.55 113.30 2qdk h SER 239 Ca -0.03 0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 2qdk h SER 239 Cb 0.72 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.27 2qdk h SER 239 CO -0.09 0.04 -0.06 -0.74 -1.14 0.00 0.00 176.83 174.84 2qdk h HIS 240 N 0.24 -0.15 -0.85 3.45 -0.00 -0.69 -1.58 115.15 115.57 2qdk h HIS 240 Ca 0.59 -0.00 0.02 0.00 -0.00 0.00 0.00 60.37 60.98 2qdk h HIS 240 Cb 1.80 0.05 -0.05 0.00 -0.00 0.00 0.00 27.41 29.22 2qdk h HIS 240 CO -0.00 0.30 0.55 0.00 -0.00 0.00 0.00 177.93 178.78 2qdk h ALA 241 N 0.02 1.10 -0.52 5.26 0.00 -0.54 -2.38 119.26 122.19 2qdk h ALA 241 Ca -0.02 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.90 2qdk h ALA 241 Cb 0.53 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 2qdk h ALA 241 CO 0.03 0.42 0.26 0.28 0.00 0.00 0.00 179.25 180.24 2qdk h VAL 242 N 1.10 0.94 -0.97 0.00 2.07 -0.79 -0.70 116.25 117.90 2qdk h VAL 242 Ca 0.33 -0.17 0.02 0.00 0.82 0.00 0.00 66.70 67.70 2qdk h VAL 242 Cb -0.05 0.40 -0.05 0.00 -1.52 0.00 0.00 31.29 30.06 2qdk h VAL 242 CO -0.10 0.09 0.64 0.11 0.02 0.00 0.00 177.57 178.34 2qdk h LYS 243 N 0.50 1.24 -0.55 1.57 1.57 -0.85 -2.26 116.57 117.79 2qdk h LYS 243 Ca 0.23 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.88 2qdk h LYS 243 Cb 0.15 -0.28 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 2qdk h LYS 243 CO -0.17 0.82 0.10 0.82 -0.57 0.00 0.00 179.45 180.45 2qdk h ILE 244 N 1.27 1.25 -0.25 1.86 2.04 -0.89 -1.41 117.51 121.39 2qdk h ILE 244 Ca 0.37 -0.94 -0.09 0.00 1.00 0.00 0.00 64.86 65.20 2qdk h ILE 244 Cb -0.07 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 2qdk h ILE 244 CO -0.10 0.34 -0.23 1.62 0.00 0.00 0.00 178.15 179.78 2qdk h VAL 245 N 0.79 1.26 -0.31 1.67 3.04 -0.64 0.83 116.25 122.89 2qdk h VAL 245 Ca 0.17 -1.21 -0.13 0.00 -1.01 0.00 0.00 66.70 64.52 2qdk h VAL 245 Cb 0.39 1.32 -0.01 0.00 -2.01 0.00 0.00 31.29 30.99 2qdk h VAL 245 CO 0.01 0.39 -0.30 0.58 -1.01 0.00 0.00 177.57 177.23 2qdk h VAL 246 N 0.42 1.29 -0.53 1.51 2.07 -1.31 -1.16 116.25 118.54 2qdk h VAL 246 Ca 0.06 -1.47 -0.05 0.00 0.82 0.00 0.00 66.70 66.07 2qdk h VAL 246 Cb 0.63 1.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.90 2qdk h VAL 246 CO 0.05 0.48 0.14 -0.08 0.02 0.00 0.00 177.57 178.17 2qdk h GLU 247 N 0.53 0.81 -0.45 1.57 4.57 -0.97 -2.61 114.58 118.03 2qdk h GLU 247 Ca 0.05 -0.16 -0.04 0.00 -1.18 0.00 0.00 59.36 58.03 2qdk h GLU 247 Cb 0.88 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 29.32 2qdk h GLU 247 CO 0.08 0.73 0.11 0.00 -1.18 0.00 0.00 179.01 178.74 2qdk h ALA 248 N 1.37 0.59 -1.00 2.92 0.00 -0.71 -2.76 119.26 119.65 2qdk h ALA 248 Ca 0.18 -0.20 0.18 0.00 0.00 0.00 0.00 54.91 55.06 2qdk h ALA 248 Cb 0.27 -0.17 -0.10 0.00 0.00 0.00 0.00 17.79 17.79 2qdk h ALA 248 CO -0.00 0.27 0.62 0.00 0.00 0.00 0.00 179.25 180.14 2qdk h ALA 249 N 0.97 1.65 -0.47 0.00 0.00 -0.85 -1.60 119.26 118.95 2qdk h ALA 249 Ca 0.14 0.07 0.09 0.00 0.00 0.00 0.00 54.91 55.21 2qdk h ALA 249 Cb 0.32 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2qdk h ALA 249 CO 0.00 0.01 0.32 0.00 0.00 0.00 0.00 179.25 179.58 2qdk h ARG 250 N 0.81 0.22 -0.00 0.00 3.08 -1.17 -0.97 114.38 116.35 2qdk h ARG 250 Ca 0.56 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.60 2qdk h ARG 250 Cb 0.81 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.81 2qdk h ARG 250 CO -0.36 0.15 -0.16 0.54 -1.07 0.00 0.00 179.97 179.07 2qdk n ARG 251 N -4.46 0.71 -0.07 0.04 1.74 -0.60 -3.86 116.66 110.17 2qdk n ARG 251 Ca 0.07 -0.31 0.06 0.00 -0.77 0.00 0.00 57.85 56.90 2qdk n ARG 251 Cb 0.37 -1.49 0.09 0.00 -1.02 0.00 0.00 32.46 30.41 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 -0.87 2.31 0.00 0.55 4.77 -0.38 -5.04 117.00 118.33 2qdk n LEU 252 Ca 0.13 -1.39 0.12 0.00 -0.03 0.00 0.00 56.01 54.85 2qdk n LEU 252 Cb 0.30 -0.09 0.74 0.00 -2.33 0.00 0.00 43.42 42.04 2qdk n LEU 252 CO 0.25 0.51 0.92 0.18 -1.33 0.00 0.00 177.39 177.91