#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbf s MET 2 N 0.00 2.94 0.00 4.33 0.00 -1.26 -4.73 119.30 120.59 2qbf s MET 2 Ca 0.00 1.71 0.00 0.00 0.00 0.00 0.00 55.69 57.41 2qbf s MET 2 Cb 0.00 -4.38 -0.00 0.00 0.00 0.00 0.00 34.83 30.45 2qbf s MET 2 CO 0.00 -2.32 0.22 1.04 0.00 0.00 0.00 175.02 173.96 2qbf n GLN 3 N 8.77 3.60 -3.32 4.11 6.02 -1.26 -4.89 117.38 130.41 2qbf n GLN 3 Ca 0.29 -0.22 -0.12 0.00 -0.01 0.00 0.00 57.00 56.94 2qbf n GLN 3 Cb 0.48 -0.72 -0.06 0.00 1.02 0.00 0.00 30.24 30.95 2qbf n GLN 3 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2qbf s ASP 4 N -0.62 0.51 0.31 1.08 3.68 -1.26 -4.91 116.67 115.46 2qbf s ASP 4 Ca 0.00 -1.27 0.05 0.00 2.13 0.00 0.00 52.55 53.46 2qbf s ASP 4 Cb 0.00 0.92 0.51 0.00 -1.45 0.00 0.00 42.92 42.90 2qbf s ASP 4 CO 0.01 -0.25 1.77 1.55 0.13 0.00 0.00 175.17 178.38 2qbf h PRO 5 N 7.19 0.39 -0.63 4.34 0.13 -2.00 -3.12 132.00 138.30 2qbf h PRO 5 Ca 0.03 -0.13 0.03 0.00 -0.87 0.00 0.00 66.00 65.06 2qbf h PRO 5 Cb 1.09 -0.03 -0.04 0.00 0.13 0.00 0.00 31.00 32.15 2qbf h PRO 5 CO 0.19 0.60 0.38 0.82 -0.23 0.00 0.00 178.00 179.76 2qbf h ILE 6 N 0.35 1.06 -0.96 -3.56 1.08 -2.00 -2.28 117.51 111.20 2qbf h ILE 6 Ca 0.06 -0.26 0.01 0.00 -0.39 0.00 0.00 64.86 64.28 2qbf h ILE 6 Cb 0.60 0.25 -0.05 0.00 -3.07 0.00 0.00 36.82 34.55 2qbf h ILE 6 CO 0.04 0.14 0.63 0.00 -0.69 0.00 0.00 178.15 178.27 2qbf h ALA 7 N 1.28 1.30 -0.69 1.87 0.00 -1.97 -2.30 119.26 118.75 2qbf h ALA 7 Ca 0.26 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 2qbf h ALA 7 Cb 0.05 -0.39 -0.03 0.00 0.00 0.00 0.00 17.79 17.42 2qbf h ALA 7 CO -0.12 0.64 0.41 0.22 0.00 0.00 0.00 179.25 180.41 2qbf h ASP 8 N 1.31 0.84 0.13 0.00 1.82 -1.46 -0.06 116.42 119.00 2qbf h ASP 8 Ca 0.35 -0.07 0.00 0.00 -0.39 0.00 0.00 57.03 56.92 2qbf h ASP 8 Cb -0.14 -0.21 -0.01 0.00 0.68 0.00 0.00 39.33 39.65 2qbf h ASP 8 CO -0.07 0.66 -0.11 -0.03 -1.61 0.00 0.00 179.24 178.08 2qbf h MET 9 N 0.95 -0.24 -0.47 0.28 4.05 -1.04 0.16 114.93 118.61 2qbf h MET 9 Ca 0.25 0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.69 2qbf h MET 9 Cb -0.02 0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 30.81 2qbf h MET 9 CO -0.05 -0.16 0.30 -0.07 0.23 0.00 0.00 176.91 177.16 2qbf h LEU 10 N -0.25 0.56 -0.63 3.39 3.38 -1.25 -2.65 115.31 117.86 2qbf h LEU 10 Ca -0.00 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2qbf h LEU 10 Cb 0.23 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 2qbf h LEU 10 CO -0.01 0.43 0.36 0.71 0.09 0.00 0.00 178.44 180.02 2qbf h THR 11 N 0.64 1.19 -0.92 0.22 1.35 -0.78 -1.89 112.91 112.72 2qbf h THR 11 Ca 0.17 -0.46 0.11 0.00 -0.55 0.00 0.00 66.41 65.68 2qbf h THR 11 Cb -0.04 0.36 -0.07 0.00 -1.73 0.00 0.00 68.15 66.68 2qbf h THR 11 CO -0.03 0.21 0.59 0.03 -0.25 0.00 0.00 175.52 176.06 2qbf h ARG 12 N 0.85 0.85 -0.03 4.72 3.08 -0.34 -1.14 114.38 122.37 2qbf h ARG 12 Ca 0.22 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 60.17 2qbf h ARG 12 Cb 0.01 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 29.88 2qbf h ARG 12 CO -0.04 0.56 -0.18 0.82 -1.07 0.00 0.00 179.97 180.06 2qbf h ILE 13 N 0.87 1.49 -0.43 2.04 2.04 -1.12 -1.14 117.51 121.27 2qbf h ILE 13 Ca 0.44 -1.71 0.02 0.00 1.00 0.00 0.00 64.86 64.61 2qbf h ILE 13 Cb 0.48 2.52 -0.03 0.00 -0.74 0.00 0.00 36.82 39.05 2qbf h ILE 13 CO -0.20 0.47 0.25 -0.09 0.00 0.00 0.00 178.15 178.58 2qbf h ARG 14 N -0.42 0.50 0.00 2.37 2.43 -1.04 0.25 114.38 118.46 2qbf h ARG 14 Ca -0.01 -0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 59.01 2qbf h ARG 14 Cb 0.86 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.28 2qbf h ARG 14 CO 0.04 0.33 -0.54 -0.91 -1.51 0.00 0.00 179.97 177.37 2qbf h ASN 15 N 0.51 0.00 0.25 -3.80 2.35 -1.31 -2.66 115.58 110.92 2qbf h ASN 15 Ca 0.17 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.91 2qbf h ASN 15 Cb 0.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.38 2qbf h ASN 15 CO -0.08 0.54 -0.12 1.23 -1.65 0.00 0.00 177.43 177.36 2qbf h GLY 16 N 1.63 -0.34 1.18 2.83 0.00 -0.36 -2.70 103.07 105.32 2qbf h GLY 16 Ca -0.01 0.13 0.11 0.00 0.00 0.00 0.00 47.33 47.56 2qbf h GLY 16 CO 0.07 -0.13 0.30 1.46 0.00 0.00 0.00 176.54 178.25 2qbf h GLN 17 N -0.77 0.00 -0.33 4.80 1.08 -0.56 -0.17 115.11 119.15 2qbf h GLN 17 Ca -0.03 0.00 -0.17 0.00 -1.45 0.00 0.00 58.65 57.00 2qbf h GLN 17 Cb 0.50 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.93 2qbf h GLN 17 CO 0.06 0.00 -0.44 0.00 -0.95 0.00 0.00 178.83 177.49 2qbf h ALA 18 N 1.75 0.57 -0.26 3.87 0.00 -1.36 -2.93 119.26 120.91 2qbf h ALA 18 Ca 0.18 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2qbf h ALA 18 Cb 0.78 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2qbf h ALA 18 CO -0.00 0.68 0.00 0.00 0.00 0.00 0.00 179.25 179.93 2qbf n ALA 19 N -2.55 2.48 -3.42 0.00 0.00 -0.18 -4.92 120.51 111.93 2qbf n ALA 19 Ca -0.03 -0.58 -0.24 0.00 0.00 0.00 0.00 53.44 52.59 2qbf n ALA 19 Cb 0.57 -1.03 0.05 0.00 0.00 0.00 0.00 19.45 19.04 2qbf n ALA 19 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2qbf n ASN 20 N 0.44 -5.98 -4.74 0.00 4.13 -0.59 -4.94 115.26 103.57 2qbf n ASN 20 Ca 0.14 -0.47 -0.41 0.00 1.68 0.00 0.00 54.58 55.52 2qbf n ASN 20 Cb 0.32 -4.77 -0.03 0.00 -1.54 0.00 0.00 39.78 33.76 2qbf n ASN 20 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2qbf s LYS 21 N -6.12 4.44 0.23 3.52 -0.14 -0.86 -4.92 119.74 115.88 2qbf s LYS 21 Ca 0.49 1.99 -0.08 0.00 -1.36 0.00 0.00 55.97 57.01 2qbf s LYS 21 Cb -0.22 -3.20 0.38 0.00 -1.68 0.00 0.00 37.83 33.11 2qbf s LYS 21 CO 0.60 -0.16 1.69 0.00 -0.76 0.00 0.00 175.35 176.71 2qbf h ALA 22 N 5.05 0.81 -3.00 5.17 0.00 -1.92 -3.42 119.26 121.95 2qbf h ALA 22 Ca -0.45 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2qbf h ALA 22 Cb 1.22 0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.24 2qbf h ALA 22 CO 0.75 -0.34 0.00 0.00 0.00 0.00 0.00 179.25 179.66 2qbf n ALA 23 N -2.68 0.00 -3.38 0.00 0.00 -1.26 -2.54 120.51 110.65 2qbf n ALA 23 Ca 0.12 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.58 2qbf n ALA 23 Cb 0.40 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.80 2qbf n ALA 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2qbf s VAL 24 N 0.49 -0.14 0.29 0.00 0.11 -0.58 -4.67 120.40 115.89 2qbf s VAL 24 Ca 0.00 0.00 0.07 0.00 -2.93 0.00 0.00 61.98 59.12 2qbf s VAL 24 Cb 0.00 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.82 2qbf s VAL 24 CO 0.00 0.00 0.27 -0.89 -3.33 0.00 0.00 175.10 171.15 2qbf s THR 25 N 1.85 4.11 -0.17 5.04 2.01 -1.26 -0.17 115.64 127.05 2qbf s THR 25 Ca -0.03 -1.33 -0.35 0.00 0.31 0.00 0.00 61.69 60.29 2qbf s THR 25 Cb -0.03 -3.35 0.14 0.00 0.01 0.00 0.00 72.50 69.28 2qbf s THR 25 CO -0.15 -0.26 1.29 0.00 -0.69 0.00 0.00 174.62 174.81 2qbf s MET 26 N -3.94 0.22 -0.46 4.92 0.23 -1.05 -4.97 119.30 114.25 2qbf s MET 26 Ca 0.37 -0.10 -0.27 0.00 -1.03 0.00 0.00 55.69 54.66 2qbf s MET 26 Cb -0.07 0.09 -0.04 0.00 -1.53 0.00 0.00 34.83 33.28 2qbf s MET 26 CO 0.26 -0.10 2.02 -1.25 -2.03 0.00 0.00 175.02 173.93 2qbf s PRO 27 N -2.28 2.73 1.21 3.16 0.04 -1.26 0.75 135.00 139.36 2qbf s PRO 27 Ca 0.12 1.18 -0.16 0.00 0.04 0.00 0.00 61.00 62.18 2qbf s PRO 27 Cb 0.01 -4.39 0.27 0.00 0.04 0.00 0.00 34.50 30.43 2qbf s PRO 27 CO -0.04 -2.58 0.74 0.45 0.04 0.00 0.00 177.00 175.61 2qbf n SER 28 N 12.81 -2.33 -3.65 6.66 2.88 0.28 -4.78 113.62 125.49 2qbf n SER 28 Ca 0.26 -0.28 -0.02 0.00 -1.33 0.00 0.00 58.87 57.49 2qbf n SER 28 Cb 0.51 -1.13 -0.06 0.00 -0.75 0.00 0.00 64.21 62.77 2qbf n SER 28 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2qbf s SER 29 N -2.32 -0.04 0.00 -3.46 1.04 -1.26 -4.84 113.70 102.82 2qbf s SER 29 Ca 0.65 0.06 0.00 0.00 0.48 0.00 0.00 55.95 57.14 2qbf s SER 29 Cb -0.21 0.06 0.00 0.00 0.10 0.00 0.00 66.02 65.98 2qbf s SER 29 CO 0.64 -0.02 0.49 1.17 0.98 0.00 0.00 173.24 176.50 2qbf n LYS 30 N 1.30 0.00 -0.24 4.02 4.81 -1.26 -0.46 118.16 126.33 2qbf n LYS 30 Ca -0.08 0.49 0.05 0.00 -0.87 0.00 0.00 58.31 57.90 2qbf n LYS 30 Cb 0.57 -0.75 0.16 0.00 0.02 0.00 0.00 35.03 35.03 2qbf n LYS 30 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 2qbf h LEU 31 N 0.00 -0.21 -0.49 3.14 5.85 -1.99 -0.42 115.31 121.20 2qbf h LEU 31 Ca 0.00 0.17 0.09 0.00 0.84 0.00 0.00 57.88 58.98 2qbf h LEU 31 Cb 0.00 0.28 -0.08 0.00 0.37 0.00 0.00 40.66 41.23 2qbf h LEU 31 CO 0.00 -0.12 0.01 0.11 -0.34 0.00 0.00 178.44 178.10 2qbf h LYS 32 N 0.16 0.12 0.75 1.25 1.57 -1.17 -1.36 116.57 117.89 2qbf h LYS 32 Ca 0.40 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 59.13 2qbf h LYS 32 Cb 0.69 -0.03 0.01 0.00 0.08 0.00 0.00 32.23 32.98 2qbf h LYS 32 CO -0.59 0.08 -0.36 0.28 -0.57 0.00 0.00 179.45 178.29 2qbf h VAL 33 N 0.12 0.21 -1.00 0.50 2.07 -0.37 -1.49 116.25 116.30 2qbf h VAL 33 Ca 0.25 -0.10 0.33 0.00 0.82 0.00 0.00 66.70 68.00 2qbf h VAL 33 Cb 0.37 0.24 -0.15 0.00 -1.52 0.00 0.00 31.29 30.23 2qbf h VAL 33 CO -0.40 0.01 0.57 0.00 0.02 0.00 0.00 177.57 177.77 2qbf h ALA 34 N -0.89 1.96 -0.33 1.67 0.00 -0.97 0.76 119.26 121.45 2qbf h ALA 34 Ca -0.10 0.19 -0.17 0.00 0.00 0.00 0.00 54.91 54.83 2qbf h ALA 34 Cb 0.79 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 2qbf h ALA 34 CO 0.17 -0.58 -0.46 0.82 0.00 0.00 0.00 179.25 179.20 2qbf h ILE 35 N 0.32 1.27 -0.88 0.00 2.04 -1.03 -3.08 117.51 116.15 2qbf h ILE 35 Ca 0.74 -1.64 0.00 0.00 1.00 0.00 0.00 64.86 64.96 2qbf h ILE 35 Cb 1.69 1.50 -0.04 0.00 -0.74 0.00 0.00 36.82 39.23 2qbf h ILE 35 CO -0.61 0.54 0.56 0.00 0.00 0.00 0.00 178.15 178.64 2qbf h ALA 36 N 0.77 1.32 -0.12 1.87 0.00 0.15 -2.64 119.26 120.62 2qbf h ALA 36 Ca 0.04 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.91 2qbf h ALA 36 Cb 1.05 -0.36 -0.06 0.00 0.00 0.00 0.00 17.79 18.43 2qbf h ALA 36 CO 0.11 0.61 -0.24 -0.91 0.00 0.00 0.00 179.25 178.81 2qbf h ASN 37 N 1.21 -0.74 -0.99 0.00 4.21 -1.00 0.71 115.58 118.99 2qbf h ASN 37 Ca 0.32 0.12 0.14 0.00 1.21 0.00 0.00 56.30 58.09 2qbf h ASN 37 Cb -0.09 0.32 -0.09 0.00 -1.12 0.00 0.00 38.32 37.34 2qbf h ASN 37 CO -0.06 -0.29 0.61 0.58 -1.29 0.00 0.00 177.43 176.97 2qbf h VAL 38 N -0.31 0.86 -0.23 2.81 2.07 -1.50 0.16 116.25 120.11 2qbf h VAL 38 Ca 0.10 -0.31 -0.07 0.00 0.82 0.00 0.00 66.70 67.24 2qbf h VAL 38 Cb 0.45 -0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.07 2qbf h VAL 38 CO -0.29 0.17 -0.15 -0.07 0.02 0.00 0.00 177.57 177.25 2qbf h LEU 39 N 0.91 0.37 0.04 2.57 3.38 -0.82 -2.49 115.31 119.28 2qbf h LEU 39 Ca 0.51 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.39 2qbf h LEU 39 Cb 0.59 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.24 2qbf h LEU 39 CO -0.30 0.55 -0.02 0.50 0.09 0.00 0.00 178.44 179.26 2qbf h LYS 40 N 0.36 -0.06 0.00 1.13 1.63 0.14 -1.27 116.57 118.51 2qbf h LYS 40 Ca 0.07 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.87 2qbf h LYS 40 Cb 0.48 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.12 2qbf h LYS 40 CO 0.03 0.58 0.00 0.39 -3.45 0.00 0.00 179.45 177.00 2qbf n GLU 41 N -4.78 0.18 0.00 1.90 -0.58 0.31 -1.18 120.64 116.49 2qbf n GLU 41 Ca -0.08 0.09 0.04 0.00 -0.42 0.00 0.00 57.16 56.78 2qbf n GLU 41 Cb 0.33 -1.50 0.02 0.00 -0.57 0.00 0.00 31.44 29.72 2qbf n GLU 41 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2qbf n GLU 42 N -1.11 0.85 -1.75 3.49 -0.58 -0.94 -5.01 120.64 115.59 2qbf n GLU 42 Ca 0.05 -0.82 -0.08 0.00 -0.42 0.00 0.00 57.16 55.89 2qbf n GLU 42 Cb 0.04 -1.10 -0.02 0.00 -0.57 0.00 0.00 31.44 29.79 2qbf n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2qbf n GLY 43 N 0.57 0.46 0.09 0.62 0.00 -0.32 -4.91 105.19 101.70 2qbf n GLY 43 Ca 0.04 -0.61 0.01 0.00 0.00 0.00 0.00 46.02 45.47 2qbf n GLY 43 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2qbf n PHE 44 N -3.46 0.83 -4.13 1.61 3.72 -0.49 -4.92 117.46 110.63 2qbf n PHE 44 Ca -0.09 0.27 -0.16 0.00 -0.05 0.00 0.00 57.45 57.43 2qbf n PHE 44 Cb 0.44 -1.02 -0.12 0.00 -0.94 0.00 0.00 39.48 37.84 2qbf n PHE 44 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 2qbf s ILE 45 N -2.99 0.81 0.01 4.37 -4.36 -1.18 -4.22 121.20 113.64 2qbf s ILE 45 Ca -0.04 -1.15 -0.12 0.00 -0.26 0.00 0.00 60.65 59.08 2qbf s ILE 45 Cb 0.09 -0.82 -0.07 0.00 1.25 0.00 0.00 42.46 42.91 2qbf s ILE 45 CO 0.82 -0.28 0.92 -0.33 0.24 0.00 0.00 174.94 176.31 2qbf h GLU 46 N 4.47 -0.42 0.00 0.37 4.39 -1.63 -3.42 114.58 118.35 2qbf h GLU 46 Ca -0.38 0.03 -0.09 0.00 0.34 0.00 0.00 59.36 59.26 2qbf h GLU 46 Cb 1.20 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.93 2qbf h GLU 46 CO 0.41 -0.28 0.10 -3.47 -1.16 0.00 0.00 179.01 174.61 2qbf n ASP 47 N -3.48 -1.53 -3.59 1.42 2.03 -1.25 -5.00 116.55 105.16 2qbf n ASP 47 Ca -0.05 -2.31 -0.15 0.00 0.52 0.00 0.00 54.79 52.80 2qbf n ASP 47 Cb 0.17 2.61 -0.06 0.00 -0.72 0.00 0.00 41.12 43.12 2qbf n ASP 47 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 2qbf s PHE 48 N -3.65 -0.68 -0.08 -0.67 -0.71 -1.26 -2.02 117.98 108.91 2qbf s PHE 48 Ca 0.16 1.45 -0.07 0.00 -1.04 0.00 0.00 56.93 57.43 2qbf s PHE 48 Cb -0.03 0.35 0.03 0.00 -1.21 0.00 0.00 43.02 42.16 2qbf s PHE 48 CO 0.11 -0.45 0.22 0.21 -1.34 0.00 0.00 175.22 173.98 2qbf s LYS 49 N -0.33 0.23 -0.45 1.99 2.47 -0.38 -4.97 119.74 118.30 2qbf s LYS 49 Ca -0.04 0.35 -0.12 0.00 -1.56 0.00 0.00 55.97 54.60 2qbf s LYS 49 Cb -0.03 0.05 0.08 0.00 -1.46 0.00 0.00 37.83 36.47 2qbf s LYS 49 CO 0.04 -0.07 0.34 0.54 0.16 0.00 0.00 175.35 176.36 2qbf s VAL 50 N 0.43 4.74 0.00 4.02 0.11 -1.26 0.73 120.40 129.17 2qbf s VAL 50 Ca -0.03 -1.28 0.00 0.00 -2.93 0.00 0.00 61.98 57.74 2qbf s VAL 50 Cb -0.04 -3.89 0.00 0.00 -1.53 0.00 0.00 36.38 30.92 2qbf s VAL 50 CO -0.02 -0.58 0.00 1.21 -3.33 0.00 0.00 175.10 172.38 2qbf n GLU 51 N 5.07 1.09 -0.66 1.54 2.13 0.39 -4.79 120.64 125.40 2qbf n GLU 51 Ca -0.11 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.71 2qbf n GLU 51 Cb 0.43 0.00 -0.00 0.00 0.27 0.00 0.00 31.44 32.14 2qbf n GLU 51 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2qbf n GLY 52 N 5.00 -3.31 0.40 8.31 0.00 -1.26 -2.66 105.19 111.66 2qbf n GLY 52 Ca 0.00 -1.12 -0.21 0.00 0.00 0.00 0.00 46.02 44.69 2qbf n GLY 52 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2qbf n ASP 53 N -2.04 1.38 -0.26 1.61 -0.08 -1.26 -4.59 116.55 111.31 2qbf n ASP 53 Ca -0.00 0.24 0.05 0.00 -1.51 0.00 0.00 54.79 53.57 2qbf n ASP 53 Cb 0.21 -0.58 0.00 0.00 2.34 0.00 0.00 41.12 43.10 2qbf n ASP 53 CO 0.00 0.00 0.00 1.07 0.12 0.00 0.00 177.20 178.39 2qbf n THR 54 N -3.88 0.00 -3.45 5.18 5.66 -1.26 -4.77 114.28 111.76 2qbf n THR 54 Ca -0.38 -0.40 -0.28 0.00 -3.05 0.00 0.00 64.05 59.94 2qbf n THR 54 Cb 0.76 1.14 -0.11 0.00 -1.55 0.00 0.00 70.33 70.56 2qbf n THR 54 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 2qbf s LYS 55 N -1.38 0.68 -0.11 1.09 -0.14 -1.26 -5.12 119.74 113.51 2qbf s LYS 55 Ca 0.09 -1.60 -0.29 0.00 -1.36 0.00 0.00 55.97 52.81 2qbf s LYS 55 Cb 0.09 -1.37 -0.05 0.00 -1.68 0.00 0.00 37.83 34.82 2qbf s LYS 55 CO 0.26 -1.26 1.63 -1.25 -0.76 0.00 0.00 175.35 173.97 2qbf s PRO 56 N 0.73 4.06 -0.24 -1.68 0.04 -1.26 -4.17 135.00 132.48 2qbf s PRO 56 Ca 0.23 2.02 -0.05 0.00 0.04 0.00 0.00 61.00 63.24 2qbf s PRO 56 Cb -0.15 -3.99 -0.01 0.00 0.04 0.00 0.00 34.50 30.39 2qbf s PRO 56 CO -0.06 -0.98 0.01 -1.21 0.04 0.00 0.00 177.00 174.81 2qbf s GLU 57 N 4.22 3.42 -0.36 4.56 8.01 -1.09 0.99 118.70 138.45 2qbf s GLU 57 Ca 0.72 -0.61 -0.20 0.00 0.01 0.00 0.00 54.97 54.89 2qbf s GLU 57 Cb -0.30 -3.16 0.00 0.00 -4.31 0.00 0.00 34.13 26.35 2qbf s GLU 57 CO 0.29 -0.23 0.64 -1.17 0.01 0.00 0.00 175.26 174.79 2qbf s LEU 58 N 1.52 4.27 -0.38 1.80 0.20 0.23 -0.46 118.68 125.86 2qbf s LEU 58 Ca 0.05 0.12 -0.21 0.00 0.69 0.00 0.00 54.13 54.78 2qbf s LEU 58 Cb -0.15 -2.78 0.01 0.00 -0.43 0.00 0.00 46.19 42.84 2qbf s LEU 58 CO -0.00 -0.61 0.68 -0.70 -0.29 0.00 0.00 176.35 175.43 2qbf s GLU 59 N 2.72 3.62 -0.47 1.98 2.12 0.22 -2.53 118.70 126.37 2qbf s GLU 59 Ca 0.24 0.04 -0.08 0.00 0.36 0.00 0.00 54.97 55.53 2qbf s GLU 59 Cb -0.14 -3.84 0.12 0.00 0.26 0.00 0.00 34.13 30.53 2qbf s GLU 59 CO 0.15 -0.83 0.33 -1.17 -0.54 0.00 0.00 175.26 173.20 2qbf s LEU 60 N 2.85 5.62 -0.40 2.70 2.96 0.76 -1.25 118.68 131.92 2qbf s LEU 60 Ca 0.26 -1.96 -0.28 0.00 -0.22 0.00 0.00 54.13 51.92 2qbf s LEU 60 Cb -0.14 -1.98 -0.01 0.00 0.50 0.00 0.00 46.19 44.57 2qbf s LEU 60 CO 0.16 -0.66 1.65 0.42 -1.32 0.00 0.00 176.35 176.60 2qbf s THR 61 N 1.28 3.63 1.04 3.68 -4.23 -0.86 -1.53 115.64 118.66 2qbf s THR 61 Ca 0.07 0.62 -0.11 0.00 -1.18 0.00 0.00 61.69 61.08 2qbf s THR 61 Cb -0.25 -3.92 0.22 0.00 1.34 0.00 0.00 72.50 69.89 2qbf s THR 61 CO -0.02 -0.63 1.08 -0.76 -0.54 0.00 0.00 174.62 173.76 2qbf s LEU 62 N 6.54 1.77 0.02 4.79 1.02 -1.05 -2.22 118.68 129.55 2qbf s LEU 62 Ca 0.70 1.82 0.03 0.00 0.02 0.00 0.00 54.13 56.70 2qbf s LEU 62 Cb -0.18 -3.95 -0.01 0.00 0.02 0.00 0.00 46.19 42.07 2qbf s LEU 62 CO 0.32 -3.67 -0.08 -0.75 0.02 0.00 0.00 176.35 172.18 2qbf s LYS 63 N -4.56 0.60 -0.01 1.70 2.20 -1.26 -4.30 119.74 114.11 2qbf s LYS 63 Ca 0.67 -0.51 0.00 0.00 -0.36 0.00 0.00 55.97 55.78 2qbf s LYS 63 Cb -0.24 -0.52 0.02 0.00 -1.51 0.00 0.00 37.83 35.58 2qbf s LYS 63 CO 0.61 0.13 0.01 0.71 -0.36 0.00 0.00 175.35 176.45 2qbf s TYR 64 N -0.69 0.08 0.00 4.03 1.51 -1.26 -1.87 117.35 119.15 2qbf s TYR 64 Ca -0.02 0.05 0.00 0.00 -1.01 0.00 0.00 57.07 56.10 2qbf s TYR 64 Cb -0.06 -0.18 0.00 0.00 -0.11 0.00 0.00 41.96 41.61 2qbf s TYR 64 CO 0.00 -0.06 0.00 0.34 -1.11 0.00 0.00 175.55 174.72 2qbf n PHE 65 N 3.71 0.00 0.00 2.71 7.35 -0.55 -4.87 117.46 125.81 2qbf n PHE 65 Ca -0.21 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.48 2qbf n PHE 65 Cb 0.54 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.37 2qbf n PHE 65 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 2qbf n GLN 66 N 0.00 0.00 -1.32 -4.13 6.02 -1.26 -4.66 117.38 112.03 2qbf n GLN 66 Ca 0.00 0.00 -0.22 0.00 -0.01 0.00 0.00 57.00 56.77 2qbf n GLN 66 Cb 0.00 0.00 -0.08 0.00 1.02 0.00 0.00 30.24 31.18 2qbf n GLN 66 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2qbf n GLY 67 N 3.05 3.98 3.61 1.08 0.00 -1.26 -4.84 105.19 110.82 2qbf n GLY 67 Ca 0.00 -1.65 -0.03 0.00 0.00 0.00 0.00 46.02 44.34 2qbf n GLY 67 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qbf s LYS 68 N -1.05 0.54 0.49 1.61 2.47 -1.26 -5.17 119.74 117.36 2qbf s LYS 68 Ca 0.58 -0.25 -0.06 0.00 -1.56 0.00 0.00 55.97 54.68 2qbf s LYS 68 Cb 0.35 0.21 -0.04 0.00 -1.46 0.00 0.00 37.83 36.90 2qbf s LYS 68 CO -0.15 -0.24 0.81 0.00 0.16 0.00 0.00 175.35 175.92 2qbf s ALA 69 N -2.65 3.37 -0.01 3.13 0.00 -1.26 -1.48 121.76 122.86 2qbf s ALA 69 Ca 0.11 -0.44 -0.24 0.00 0.00 0.00 0.00 51.96 51.38 2qbf s ALA 69 Cb 0.01 -2.64 -0.17 0.00 0.00 0.00 0.00 23.12 20.32 2qbf s ALA 69 CO -0.04 -0.35 1.17 0.28 0.00 0.00 0.00 175.76 176.82 2qbf h VAL 70 N 0.26 0.79 -2.05 0.00 2.07 -1.67 -3.40 116.25 112.24 2qbf h VAL 70 Ca -0.47 -0.75 -0.52 0.00 0.82 0.00 0.00 66.70 65.79 2qbf h VAL 70 Cb 1.20 1.19 -0.06 0.00 -1.52 0.00 0.00 31.29 32.10 2qbf h VAL 70 CO 0.62 0.15 1.18 -0.69 0.02 0.00 0.00 177.57 178.85 2qbf s VAL 71 N -4.38 3.59 -0.33 2.57 1.01 -1.26 -4.78 120.40 116.82 2qbf s VAL 71 Ca -0.14 0.21 0.22 0.00 0.00 0.00 0.00 61.98 62.28 2qbf s VAL 71 Cb 0.02 -4.53 -0.16 0.00 0.00 0.00 0.00 36.38 31.70 2qbf s VAL 71 CO 0.54 -1.48 0.84 -1.84 0.00 0.00 0.00 175.10 173.17 2qbf n GLU 72 N 9.25 0.49 -3.66 2.72 0.00 -1.25 -4.89 120.64 123.30 2qbf n GLU 72 Ca 0.13 -0.03 -0.08 0.00 0.00 0.00 0.00 57.16 57.18 2qbf n GLU 72 Cb 0.50 -1.63 -0.09 0.00 0.00 0.00 0.00 31.44 30.22 2qbf n GLU 72 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 2qbf s SER 73 N -4.49 -0.37 -0.27 -1.84 0.15 -1.26 -5.05 113.70 100.57 2qbf s SER 73 Ca -0.01 1.04 -0.02 0.00 0.70 0.00 0.00 55.95 57.66 2qbf s SER 73 Cb 0.13 1.36 0.16 0.00 -1.71 0.00 0.00 66.02 65.96 2qbf s SER 73 CO 0.84 -0.23 0.47 -0.51 1.20 0.00 0.00 173.24 175.01 2qbf s ILE 74 N 2.48 -0.77 0.00 6.45 2.07 -1.25 -1.01 121.20 129.18 2qbf s ILE 74 Ca -0.03 -0.04 0.03 0.00 -1.41 0.00 0.00 60.65 59.19 2qbf s ILE 74 Cb -0.11 -0.89 -0.01 0.00 0.13 0.00 0.00 42.46 41.57 2qbf s ILE 74 CO -0.13 -0.07 -0.08 -1.10 -1.91 0.00 0.00 174.94 171.64 2qbf s GLN 75 N 2.68 0.65 0.72 3.50 1.11 -1.21 -4.84 119.66 122.27 2qbf s GLN 75 Ca 0.16 -0.38 -0.15 0.00 0.01 0.00 0.00 55.36 55.00 2qbf s GLN 75 Cb -0.15 -0.61 0.03 0.00 -1.01 0.00 0.00 33.01 31.27 2qbf s GLN 75 CO -0.18 0.16 1.21 0.50 0.01 0.00 0.00 175.29 176.99 2qbf s ARG 76 N -0.43 2.21 0.00 2.91 6.06 -1.26 -2.19 118.95 126.24 2qbf s ARG 76 Ca 0.01 1.77 0.00 0.00 -2.50 0.00 0.00 55.73 55.01 2qbf s ARG 76 Cb -0.04 -1.84 0.00 0.00 0.06 0.00 0.00 34.95 33.13 2qbf s ARG 76 CO -0.00 -1.79 0.00 0.28 -2.50 0.00 0.00 175.30 171.29 2qbf n VAL 77 N -2.63 0.01 -1.08 7.11 0.31 -0.08 -4.85 118.33 117.13 2qbf n VAL 77 Ca 0.13 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.17 2qbf n VAL 77 Cb 0.50 -0.70 -0.04 0.00 -0.91 0.00 0.00 33.84 32.68 2qbf n VAL 77 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2qbf n SER 78 N -2.52 7.06 -4.72 4.52 2.88 -1.23 -4.83 113.62 114.79 2qbf n SER 78 Ca 0.00 -2.47 -0.30 0.00 -1.33 0.00 0.00 58.87 54.78 2qbf n SER 78 Cb 0.00 -1.38 0.13 0.00 -0.75 0.00 0.00 64.21 62.21 2qbf n SER 78 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2qbf s ARG 79 N 2.38 1.38 1.18 -1.46 1.70 -1.25 -4.64 118.95 118.24 2qbf s ARG 79 Ca 0.60 0.90 -0.16 0.00 -0.47 0.00 0.00 55.73 56.59 2qbf s ARG 79 Cb 0.17 -1.82 0.27 0.00 -0.57 0.00 0.00 34.95 33.01 2qbf s ARG 79 CO -0.04 -2.18 1.06 -1.25 -1.08 0.00 0.00 175.30 171.80 2qbf s PRO 80 N -4.91 -1.02 -0.65 3.89 0.04 -1.26 -2.80 135.00 128.28 2qbf s PRO 80 Ca 0.63 0.31 0.00 0.00 0.04 0.00 0.00 61.00 61.98 2qbf s PRO 80 Cb -0.18 -1.59 0.00 0.00 0.04 0.00 0.00 34.50 32.77 2qbf s PRO 80 CO 0.57 -3.66 0.00 0.41 0.04 0.00 0.00 177.00 174.36 2qbf n GLY 81 N -0.22 0.58 0.00 0.56 0.00 -1.26 -4.57 105.19 100.28 2qbf n GLY 81 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2qbf n GLY 81 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2qbf n LEU 82 N -0.75 0.00 -4.82 0.99 -0.00 -1.20 -5.17 117.00 106.06 2qbf n LEU 82 Ca -0.06 0.00 -0.33 0.00 -0.00 0.00 0.00 56.01 55.62 2qbf n LEU 82 Cb 0.48 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.87 2qbf n LEU 82 CO 0.09 0.00 0.69 -0.13 -0.00 0.00 0.00 177.39 178.05 2qbf s ARG 83 N 0.00 3.77 -0.06 1.96 1.81 -1.12 -3.87 118.95 121.44 2qbf s ARG 83 Ca 0.00 1.14 0.03 0.00 -1.72 0.00 0.00 55.73 55.17 2qbf s ARG 83 Cb 0.00 -2.10 0.01 0.00 -0.45 0.00 0.00 34.95 32.41 2qbf s ARG 83 CO 0.00 -0.43 -0.13 0.42 -0.68 0.00 0.00 175.30 174.48 2qbf s ILE 84 N -2.37 1.20 -0.06 1.52 1.01 -1.26 -4.99 121.20 116.24 2qbf s ILE 84 Ca 0.62 -0.53 0.00 0.00 0.00 0.00 0.00 60.65 60.75 2qbf s ILE 84 Cb -0.13 -1.08 0.02 0.00 0.01 0.00 0.00 42.46 41.28 2qbf s ILE 84 CO 0.28 0.37 -0.03 -0.31 0.00 0.00 0.00 174.94 175.24 2qbf s TYR 85 N 0.54 0.78 0.41 3.97 1.51 -1.26 -3.03 117.35 120.27 2qbf s TYR 85 Ca -0.13 -0.23 0.07 0.00 -1.01 0.00 0.00 57.07 55.77 2qbf s TYR 85 Cb -0.15 -0.74 -0.07 0.00 -0.11 0.00 0.00 41.96 40.89 2qbf s TYR 85 CO 0.04 -0.25 0.08 0.15 -1.11 0.00 0.00 175.55 174.46 2qbf s LYS 86 N 1.27 2.07 0.33 -0.62 -0.14 -1.00 -4.99 119.74 116.66 2qbf s LYS 86 Ca -0.05 -1.98 0.05 0.00 -1.36 0.00 0.00 55.97 52.62 2qbf s LYS 86 Cb -0.14 -1.80 -0.01 0.00 -1.68 0.00 0.00 37.83 34.20 2qbf s LYS 86 CO -0.02 -0.07 0.47 1.03 -0.76 0.00 0.00 175.35 176.01 2qbf s ARG 87 N -3.79 3.21 0.29 1.68 0.52 -1.26 -2.72 118.95 116.88 2qbf s ARG 87 Ca 0.38 -0.84 0.03 0.00 -0.52 0.00 0.00 55.73 54.78 2qbf s ARG 87 Cb 0.07 -2.79 0.62 0.00 0.52 0.00 0.00 34.95 33.37 2qbf s ARG 87 CO 0.20 0.11 1.82 1.57 0.02 0.00 0.00 175.30 179.03 2qbf h LYS 88 N 0.89 0.89 -0.64 3.54 2.10 -1.90 0.74 116.57 122.18 2qbf h LYS 88 Ca -0.48 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.12 2qbf h LYS 88 Cb 1.25 -0.20 0.00 0.00 -0.90 0.00 0.00 32.23 32.38 2qbf h LYS 88 CO 0.56 0.59 0.00 -0.40 -2.00 0.00 0.00 179.45 178.20 2qbf n ASP 89 N -4.65 2.69 -1.19 7.07 5.68 -1.26 -3.75 116.55 121.15 2qbf n ASP 89 Ca 0.20 -2.27 0.03 0.00 -0.50 0.00 0.00 54.79 52.24 2qbf n ASP 89 Cb 0.42 -0.46 0.01 0.00 -1.14 0.00 0.00 41.12 39.96 2qbf n ASP 89 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2qbf n GLU 90 N 0.37 0.00 -2.72 0.11 1.02 0.25 -5.09 120.64 114.57 2qbf n GLU 90 Ca 0.12 -1.67 -0.41 0.00 -0.02 0.00 0.00 57.16 55.18 2qbf n GLU 90 Cb 0.54 -0.14 -0.04 0.00 -0.02 0.00 0.00 31.44 31.78 2qbf n GLU 90 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2qbf s LEU 91 N 0.00 4.51 0.57 -4.62 1.43 -0.75 -4.27 118.68 115.55 2qbf s LEU 91 Ca 0.23 1.81 -0.18 0.00 -1.03 0.00 0.00 54.13 54.96 2qbf s LEU 91 Cb 0.26 -3.59 -0.05 0.00 0.03 0.00 0.00 46.19 42.85 2qbf s LEU 91 CO -0.12 -0.05 1.12 -2.16 0.23 0.00 0.00 176.35 175.37 2qbf s PRO 92 N -0.09 3.27 -0.33 1.29 0.04 -1.26 -5.03 135.00 132.88 2qbf s PRO 92 Ca 0.47 1.53 0.03 0.00 0.04 0.00 0.00 61.00 63.06 2qbf s PRO 92 Cb -0.24 -2.00 0.09 0.00 0.04 0.00 0.00 34.50 32.39 2qbf s PRO 92 CO 0.30 -0.90 0.04 0.15 0.04 0.00 0.00 177.00 176.63 2qbf s LYS 93 N -3.49 1.73 0.17 4.56 1.02 -1.26 -4.85 119.74 117.63 2qbf s LYS 93 Ca 0.71 -1.75 -0.30 0.00 0.02 0.00 0.00 55.97 54.65 2qbf s LYS 93 Cb -0.22 -3.21 -0.08 0.00 -0.52 0.00 0.00 37.83 33.80 2qbf s LYS 93 CO 0.30 -0.88 1.30 0.08 -0.92 0.00 0.00 175.35 175.23 2qbf s VAL 94 N 0.99 3.32 -1.43 3.17 1.01 -1.26 -3.61 120.40 122.58 2qbf s VAL 94 Ca 0.06 1.05 -0.01 0.00 0.00 0.00 0.00 61.98 63.08 2qbf s VAL 94 Cb -0.20 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.51 2qbf s VAL 94 CO -0.07 0.14 0.32 0.80 0.00 0.00 0.00 175.10 176.30 2qbf n MET 95 N 2.92 -2.58 -1.11 2.72 0.00 -1.26 -0.46 117.12 117.36 2qbf n MET 95 Ca 0.07 0.32 -0.08 0.00 -0.00 0.00 0.00 57.70 58.01 2qbf n MET 95 Cb 0.43 -4.24 -0.04 0.00 0.00 0.00 0.00 33.22 29.38 2qbf n MET 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2qbf n ALA 96 N -4.46 -0.13 0.00 -5.12 0.00 -1.24 -0.86 120.51 108.71 2qbf n ALA 96 Ca -0.31 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.27 2qbf n ALA 96 Cb 0.69 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.86 2qbf n ALA 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qbf n GLY 97 N 0.11 1.19 0.24 0.00 0.00 0.39 -4.92 105.19 102.21 2qbf n GLY 97 Ca -0.08 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.10 2qbf n GLY 97 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2qbf h LEU 98 N 0.00 0.00-10.17 0.99 3.38 -1.01 -3.43 115.31 105.06 2qbf h LEU 98 Ca 0.00 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.39 2qbf h LEU 98 Cb 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.69 2qbf h LEU 98 CO 0.00 0.00 -0.39 -0.83 0.09 0.00 0.00 178.44 177.31 2qbf s GLY 99 N -3.94 2.40 0.26 0.83 0.00 -0.62 -4.96 107.32 101.28 2qbf s GLY 99 Ca -0.00 -1.49 0.07 0.00 0.00 0.00 0.00 44.72 43.30 2qbf s GLY 99 CO 0.42 -1.93 -0.09 -0.26 0.00 0.00 0.00 173.10 171.25 2qbf s ILE 100 N -2.70 1.72 -0.28 0.90 -4.36 -0.35 -4.38 121.20 111.75 2qbf s ILE 100 Ca 0.35 -2.16 -0.03 0.00 -0.26 0.00 0.00 60.65 58.55 2qbf s ILE 100 Cb -0.00 -2.33 0.09 0.00 1.25 0.00 0.00 42.46 41.47 2qbf s ILE 100 CO 0.21 -0.38 0.11 0.00 0.24 0.00 0.00 174.94 175.11 2qbf s ALA 101 N -2.97 0.98 -0.04 2.27 0.00 -1.26 -1.49 121.76 119.25 2qbf s ALA 101 Ca 0.28 -1.22 -0.34 0.00 0.00 0.00 0.00 51.96 50.68 2qbf s ALA 101 Cb 0.02 -1.44 -0.12 0.00 0.00 0.00 0.00 23.12 21.59 2qbf s ALA 101 CO 0.11 -1.58 1.85 0.28 0.00 0.00 0.00 175.76 176.41 2qbf n VAL 102 N 5.08 0.51 -4.67 0.00 0.31 -1.04 -1.84 118.33 116.69 2qbf n VAL 102 Ca -0.05 -0.09 -0.26 0.00 -0.01 0.00 0.00 64.34 63.93 2qbf n VAL 102 Cb 0.43 -1.87 -0.17 0.00 -0.91 0.00 0.00 33.84 31.32 2qbf n VAL 102 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2qbf s VAL 103 N 3.64 1.27 -0.73 2.52 1.01 0.61 -0.90 120.40 127.83 2qbf s VAL 103 Ca 0.90 -0.56 -0.19 0.00 0.00 0.00 0.00 61.98 62.14 2qbf s VAL 103 Cb -0.67 -1.15 0.12 0.00 0.00 0.00 0.00 36.38 34.69 2qbf s VAL 103 CO 0.49 0.39 0.87 -0.55 0.00 0.00 0.00 175.10 176.30 2qbf s SER 104 N 0.63 6.38 0.58 3.32 0.15 -0.28 -0.97 113.70 123.50 2qbf s SER 104 Ca -0.15 -1.70 0.02 0.00 0.70 0.00 0.00 55.95 54.82 2qbf s SER 104 Cb -0.16 -2.34 0.05 0.00 -1.71 0.00 0.00 66.02 61.87 2qbf s SER 104 CO 0.04 -1.09 0.80 0.42 1.20 0.00 0.00 173.24 174.62 2qbf s THR 105 N 2.59 2.55 -0.67 6.45 -4.23 0.26 -2.71 115.64 119.88 2qbf s THR 105 Ca 0.20 -0.70 0.13 0.00 -1.18 0.00 0.00 61.69 60.14 2qbf s THR 105 Cb -0.16 -2.86 0.13 0.00 1.34 0.00 0.00 72.50 70.95 2qbf s THR 105 CO 0.00 0.00 1.39 -0.24 -0.54 0.00 0.00 174.62 175.24 2qbf n SER 106 N -2.40 0.28 -0.18 3.99 2.88 -1.26 -0.46 113.62 116.48 2qbf n SER 106 Ca 0.10 0.61 0.11 0.00 -1.33 0.00 0.00 58.87 58.36 2qbf n SER 106 Cb 0.60 -0.65 0.02 0.00 -0.75 0.00 0.00 64.21 63.43 2qbf n SER 106 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2qbf n LYS 107 N -1.85 0.45 0.00 -1.46 4.76 -1.26 -5.07 118.16 113.73 2qbf n LYS 107 Ca 0.00 -0.35 0.00 0.00 -2.87 0.00 0.00 58.31 55.09 2qbf n LYS 107 Cb 0.07 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 31.77 2qbf n LYS 107 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2qbf n GLY 108 N 1.46 0.83 3.53 0.72 0.00 0.39 -5.01 105.19 107.11 2qbf n GLY 108 Ca 0.07 -2.14 -0.43 0.00 0.00 0.00 0.00 46.02 43.52 2qbf n GLY 108 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qbf s VAL 109 N -0.99 4.47 0.29 1.61 1.01 -1.26 -0.58 120.40 124.96 2qbf s VAL 109 Ca 0.00 0.37 0.03 0.00 0.00 0.00 0.00 61.98 62.39 2qbf s VAL 109 Cb 0.00 -4.47 -0.06 0.00 0.00 0.00 0.00 36.38 31.85 2qbf s VAL 109 CO 0.00 -0.98 0.06 0.00 0.00 0.00 0.00 175.10 174.18 2qbf s MET 110 N 3.75 1.54 0.53 2.72 0.00 -0.15 -4.81 119.30 122.88 2qbf s MET 110 Ca 0.31 -1.84 -0.18 0.00 0.00 0.00 0.00 55.69 53.99 2qbf s MET 110 Cb -0.12 -0.69 -0.07 0.00 0.00 0.00 0.00 34.83 33.95 2qbf s MET 110 CO 0.21 -0.19 1.02 0.95 0.00 0.00 0.00 175.02 177.01 2qbf s THR 111 N -3.42 4.03 0.15 3.16 -4.23 -1.26 -0.28 115.64 113.79 2qbf s THR 111 Ca 0.35 1.08 -0.21 0.00 -1.18 0.00 0.00 61.69 61.74 2qbf s THR 111 Cb 0.08 -3.50 0.05 0.00 1.34 0.00 0.00 72.50 70.46 2qbf s THR 111 CO 0.14 -0.45 1.65 -2.24 -0.54 0.00 0.00 174.62 173.17 2qbf h ASP 112 N 1.02 -0.61 -0.69 3.99 2.03 -1.72 -0.88 116.42 119.56 2qbf h ASP 112 Ca -0.48 0.13 0.15 0.00 -0.73 0.00 0.00 57.03 56.10 2qbf h ASP 112 Cb 1.21 0.31 -0.11 0.00 -0.83 0.00 0.00 39.33 39.91 2qbf h ASP 112 CO 0.59 -0.22 0.10 -0.09 -1.03 0.00 0.00 179.24 178.59 2qbf h ARG 113 N -0.16 0.20 0.52 4.15 2.43 -1.91 0.26 114.38 119.87 2qbf h ARG 113 Ca 0.15 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.28 2qbf h ARG 113 Cb 0.39 -0.04 0.01 0.00 -0.42 0.00 0.00 29.97 29.90 2qbf h ARG 113 CO -0.38 0.13 -0.25 0.00 -1.51 0.00 0.00 179.97 177.96 2qbf h ALA 114 N 1.59 -0.70 -0.68 2.80 0.00 -1.74 -3.08 119.26 117.44 2qbf h ALA 114 Ca 0.38 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 55.17 2qbf h ALA 114 Cb 0.63 0.27 -0.06 0.00 0.00 0.00 0.00 17.79 18.63 2qbf h ALA 114 CO -0.52 -0.76 0.35 0.00 0.00 0.00 0.00 179.25 178.32 2qbf h ALA 115 N -0.67 0.93 -0.41 0.00 0.00 -0.81 -0.22 119.26 118.09 2qbf h ALA 115 Ca -0.07 0.04 0.12 0.00 0.00 0.00 0.00 54.91 55.00 2qbf h ALA 115 Cb 0.62 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2qbf h ALA 115 CO 0.12 -0.02 0.36 -0.09 0.00 0.00 0.00 179.25 179.62 2qbf h ARG 116 N 0.62 0.00 0.04 0.00 2.43 -0.51 -0.39 114.38 116.57 2qbf h ARG 116 Ca 0.33 0.00 -0.31 0.00 -0.81 0.00 0.00 59.98 59.18 2qbf h ARG 116 Cb 0.29 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.80 2qbf h ARG 116 CO -0.23 0.00 -1.80 1.04 -1.51 0.00 0.00 179.97 177.47 2qbf n GLN 117 N -4.02 0.67 0.00 0.20 6.02 -0.22 -3.82 117.38 116.21 2qbf n GLN 117 Ca 0.07 0.29 0.03 0.00 -0.01 0.00 0.00 57.00 57.37 2qbf n GLN 117 Cb 0.55 -1.77 0.16 0.00 1.02 0.00 0.00 30.24 30.20 2qbf n GLN 117 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2qbf n ALA 118 N -2.69 1.90 -3.65 -1.58 0.00 -0.17 -4.81 120.51 109.51 2qbf n ALA 118 Ca -0.21 -0.03 -0.25 0.00 0.00 0.00 0.00 53.44 52.95 2qbf n ALA 118 Cb 1.05 -1.08 0.07 0.00 0.00 0.00 0.00 19.45 19.49 2qbf n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qbf n GLY 119 N -0.19 -0.53 3.24 0.00 0.00 -1.12 -5.00 105.19 101.59 2qbf n GLY 119 Ca 0.04 0.24 -0.13 0.00 0.00 0.00 0.00 46.02 46.17 2qbf n GLY 119 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2qbf s LEU 120 N -7.26 0.86 0.53 0.99 2.34 -1.20 -5.01 118.68 109.93 2qbf s LEU 120 Ca 0.57 0.07 0.05 0.00 0.06 0.00 0.00 54.13 54.88 2qbf s LEU 120 Cb -0.26 1.27 0.03 0.00 -0.56 0.00 0.00 46.19 46.67 2qbf s LEU 120 CO 0.75 -0.45 0.36 -0.83 -1.06 0.00 0.00 176.35 175.11 2qbf s GLY 121 N -1.35 2.42 -0.01 -3.48 0.00 -1.26 -4.34 107.32 99.30 2qbf s GLY 121 Ca -0.13 -1.24 -0.09 0.00 0.00 0.00 0.00 44.72 43.26 2qbf s GLY 121 CO 0.04 -1.95 0.39 0.61 0.00 0.00 0.00 173.10 172.19 2qbf n GLY 122 N -1.69 0.49 3.65 0.20 0.00 -1.10 -4.40 105.19 102.34 2qbf n GLY 122 Ca -0.03 -0.89 -0.43 0.00 0.00 0.00 0.00 46.02 44.67 2qbf n GLY 122 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2qbf s GLU 123 N -2.00 4.22 1.34 1.61 2.12 -1.10 -2.36 118.70 122.53 2qbf s GLU 123 Ca 0.09 1.25 -0.19 0.00 0.36 0.00 0.00 54.97 56.49 2qbf s GLU 123 Cb -0.00 -3.65 0.35 0.00 0.26 0.00 0.00 34.13 31.08 2qbf s GLU 123 CO -0.00 -0.64 0.95 0.42 -0.54 0.00 0.00 175.26 175.45 2qbf s ILE 124 N 3.19 1.53 0.00 -3.70 1.01 -1.17 -1.13 121.20 120.93 2qbf s ILE 124 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 60.65 61.07 2qbf s ILE 124 Cb -0.15 -2.01 0.00 0.00 0.01 0.00 0.00 42.46 40.32 2qbf s ILE 124 CO 0.07 0.00 0.00 -0.38 0.00 0.00 0.00 174.94 174.63 2qbf n ILE 125 N -5.46 0.00 -3.75 2.92 5.41 -0.07 -4.34 119.36 114.06 2qbf n ILE 125 Ca 0.08 0.00 0.02 0.00 1.00 0.00 0.00 62.75 63.85 2qbf n ILE 125 Cb 0.57 -0.14 0.00 0.00 -0.71 0.00 0.00 39.64 39.36 2qbf n ILE 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2qbf s TYR 127 N -2.23 2.92 -0.35 0.00 2.02 -0.93 -2.49 117.35 116.29 2qbf s TYR 127 Ca 0.20 -2.21 -0.11 0.00 -0.37 0.00 0.00 57.07 54.58 2qbf s TYR 127 Cb 0.03 -2.00 0.01 0.00 -0.40 0.00 0.00 41.96 39.60 2qbf s TYR 127 CO -0.03 -0.85 0.19 0.08 -1.57 0.00 0.00 175.55 173.37 2qbf s VAL 128 N 1.21 4.67 -1.86 0.71 1.01 -0.55 -3.29 120.40 122.30 2qbf s VAL 128 Ca -0.02 -0.63 0.15 0.00 0.00 0.00 0.00 61.98 61.48 2qbf s VAL 128 Cb -0.19 -3.51 0.12 0.00 0.00 0.00 0.00 36.38 32.80 2qbf s VAL 128 CO -0.08 -0.11 0.97 0.00 0.00 0.00 0.00 175.10 175.89