#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbj n MET 2 N 0.00 0.24 0.03 4.33 0.00 -1.26 -4.57 117.12 115.90 2qbj n MET 2 Ca 0.00 -1.06 0.11 0.00 0.00 0.00 0.00 57.70 56.75 2qbj n MET 2 Cb 0.00 -3.28 0.03 0.00 0.00 0.00 0.00 33.22 29.97 2qbj n MET 2 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 2qbj n GLN 3 N 7.75 0.29 -3.50 2.12 6.02 -1.26 -4.70 117.38 124.10 2qbj n GLN 3 Ca 0.41 -0.00 -0.27 0.00 -0.01 0.00 0.00 57.00 57.13 2qbj n GLN 3 Cb 0.43 -1.60 -0.14 0.00 1.02 0.00 0.00 30.24 29.96 2qbj n GLN 3 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2qbj s ASP 4 N -3.94 3.15 0.13 1.08 3.68 -1.26 -4.95 116.67 114.56 2qbj s ASP 4 Ca 0.04 -1.40 -0.13 0.00 2.13 0.00 0.00 52.55 53.19 2qbj s ASP 4 Cb 0.14 -0.23 -0.02 0.00 -1.45 0.00 0.00 42.92 41.37 2qbj s ASP 4 CO 0.80 -0.41 1.54 1.55 0.13 0.00 0.00 175.17 178.78 2qbj h PRO 5 N 8.10 0.83 -0.40 4.34 0.13 -1.98 -3.23 132.00 139.79 2qbj h PRO 5 Ca -0.14 -0.32 0.08 0.00 -0.87 0.00 0.00 66.00 64.75 2qbj h PRO 5 Cb 1.01 -0.04 -0.07 0.00 0.13 0.00 0.00 31.00 32.03 2qbj h PRO 5 CO 0.39 0.95 -0.05 0.82 -0.23 0.00 0.00 178.00 179.87 2qbj h ILE 6 N 0.65 0.65 -0.63 -3.56 1.08 -2.00 -2.00 117.51 111.69 2qbj h ILE 6 Ca 0.11 -0.02 0.13 0.00 -0.39 0.00 0.00 64.86 64.69 2qbj h ILE 6 Cb 0.65 0.60 -0.11 0.00 -3.07 0.00 0.00 36.82 34.89 2qbj h ILE 6 CO 0.04 0.01 -0.00 0.00 -0.69 0.00 0.00 178.15 177.51 2qbj h ALA 7 N 1.37 0.62 -0.53 1.87 0.00 -1.97 -0.31 119.26 120.31 2qbj h ALA 7 Ca 0.19 0.20 0.10 0.00 0.00 0.00 0.00 54.91 55.40 2qbj h ALA 7 Cb 0.29 0.34 -0.08 0.00 0.00 0.00 0.00 17.79 18.33 2qbj h ALA 7 CO -0.37 -0.39 0.06 0.22 0.00 0.00 0.00 179.25 178.77 2qbj h ASP 8 N 0.12 -0.10 0.57 0.00 1.82 -1.44 0.29 116.42 117.67 2qbj h ASP 8 Ca 0.33 0.11 -0.02 0.00 -0.39 0.00 0.00 57.03 57.06 2qbj h ASP 8 Cb 0.54 0.17 -0.01 0.00 0.68 0.00 0.00 39.33 40.71 2qbj h ASP 8 CO -0.54 -0.03 -0.45 -0.03 -1.61 0.00 0.00 179.24 176.58 2qbj h MET 9 N 0.18 -0.96 -0.05 0.28 4.05 -0.91 0.62 114.93 118.15 2qbj h MET 9 Ca 0.27 0.07 0.04 0.00 -0.28 0.00 0.00 59.70 59.79 2qbj h MET 9 Cb 0.40 0.22 -0.05 0.00 -0.80 0.00 0.00 31.60 31.37 2qbj h MET 9 CO -0.39 -0.64 -0.23 -0.07 0.23 0.00 0.00 176.91 175.81 2qbj h LEU 10 N -1.00 -0.68 -0.08 3.39 3.38 -0.91 -0.85 115.31 118.57 2qbj h LEU 10 Ca -0.07 0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.01 2qbj h LEU 10 Cb 0.84 0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 2qbj h LEU 10 CO 0.01 -0.29 0.00 0.71 0.09 0.00 0.00 178.44 178.96 2qbj h THR 11 N -0.33 0.95 -0.74 0.22 1.35 -0.34 -2.61 112.91 111.41 2qbj h THR 11 Ca 0.07 -0.01 0.12 0.00 -0.55 0.00 0.00 66.41 66.05 2qbj h THR 11 Cb 0.44 0.92 -0.08 0.00 -1.73 0.00 0.00 68.15 67.69 2qbj h THR 11 CO -0.24 0.01 0.33 -0.09 -0.25 0.00 0.00 175.52 175.28 2qbj h ARG 12 N 0.03 0.51 0.53 4.72 2.43 0.59 -0.28 114.38 122.91 2qbj h ARG 12 Ca 0.03 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 2qbj h ARG 12 Cb 0.04 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.47 2qbj h ARG 12 CO -0.06 0.34 -0.32 0.82 -1.51 0.00 0.00 179.97 179.24 2qbj h ILE 13 N 0.52 0.35 -0.44 1.20 2.04 -0.83 -0.85 117.51 119.51 2qbj h ILE 13 Ca 0.39 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.26 2qbj h ILE 13 Cb 0.52 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 36.93 2qbj h ILE 13 CO -0.34 0.00 0.28 0.08 0.00 0.00 0.00 178.15 178.17 2qbj h ARG 14 N -0.80 0.56 -0.79 2.37 0.11 -1.11 -0.96 114.38 113.75 2qbj h ARG 14 Ca -0.06 -0.03 0.09 0.00 0.10 0.00 0.00 59.98 60.07 2qbj h ARG 14 Cb 0.65 -0.13 -0.05 0.00 1.11 0.00 0.00 29.97 31.55 2qbj h ARG 14 CO 0.07 0.37 0.52 -0.91 0.10 0.00 0.00 179.97 180.12 2qbj h ASN 15 N 0.58 0.67 0.10 0.08 2.35 -0.96 -1.66 115.58 116.75 2qbj h ASN 15 Ca 0.16 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.92 2qbj h ASN 15 Cb -0.05 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.19 2qbj h ASN 15 CO -0.04 0.41 -0.05 1.23 -1.65 0.00 0.00 177.43 177.33 2qbj h GLY 16 N 0.75 -0.14 0.22 2.83 0.00 -0.30 -2.95 103.07 103.48 2qbj h GLY 16 Ca 0.36 0.05 0.25 0.00 0.00 0.00 0.00 47.33 47.99 2qbj h GLY 16 CO -0.14 -0.05 0.63 1.46 0.00 0.00 0.00 176.54 178.44 2qbj h GLN 17 N -0.53 0.11 -0.24 4.80 1.08 -0.58 0.58 115.11 120.33 2qbj h GLN 17 Ca -0.01 -0.01 -0.06 0.00 -1.45 0.00 0.00 58.65 57.12 2qbj h GLN 17 Cb 0.44 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.84 2qbj h GLN 17 CO 0.02 0.07 -0.10 0.00 -0.95 0.00 0.00 178.83 177.87 2qbj h ALA 18 N 1.57 0.34 -0.10 3.87 0.00 -1.16 -2.90 119.26 120.87 2qbj h ALA 18 Ca 0.44 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2qbj h ALA 18 Cb 1.57 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.28 2qbj h ALA 18 CO -0.06 0.18 0.00 0.00 0.00 0.00 0.00 179.25 179.37 2qbj n ALA 19 N -2.41 2.55 -2.61 0.00 0.00 -0.00 -4.90 120.51 113.14 2qbj n ALA 19 Ca -0.04 -0.37 -0.21 0.00 0.00 0.00 0.00 53.44 52.82 2qbj n ALA 19 Cb 0.33 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.62 2qbj n ALA 19 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2qbj n ASN 20 N -0.11 -5.86 -4.74 0.00 3.02 -0.06 -4.92 115.26 102.59 2qbj n ASN 20 Ca 0.15 -0.10 -0.42 0.00 -0.03 0.00 0.00 54.58 54.19 2qbj n ASN 20 Cb 0.23 -4.83 -0.02 0.00 -0.61 0.00 0.00 39.78 34.54 2qbj n ASN 20 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2qbj s LYS 21 N -5.27 4.22 0.07 3.52 -0.14 -0.87 -4.92 119.74 116.34 2qbj s LYS 21 Ca 0.10 2.38 -0.13 0.00 -1.36 0.00 0.00 55.97 56.96 2qbj s LYS 21 Cb -0.05 -3.11 -0.03 0.00 -1.68 0.00 0.00 37.83 32.96 2qbj s LYS 21 CO 0.13 -0.54 1.23 0.00 -0.76 0.00 0.00 175.35 175.41 2qbj h ALA 22 N 5.69 -0.29 -3.00 5.17 0.00 -1.91 -3.44 119.26 121.48 2qbj h ALA 22 Ca -0.45 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2qbj h ALA 22 Cb 1.21 1.11 0.00 0.00 0.00 0.00 0.00 17.79 20.11 2qbj h ALA 22 CO 0.84 -0.45 0.00 0.00 0.00 0.00 0.00 179.25 179.63 2qbj n ALA 23 N -3.06 0.00 -3.60 0.00 0.00 -1.26 -2.83 120.51 109.76 2qbj n ALA 23 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 2qbj n ALA 23 Cb 0.12 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.52 2qbj n ALA 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2qbj s VAL 24 N 1.61 0.00 0.34 0.00 0.11 -1.14 -4.72 120.40 116.60 2qbj s VAL 24 Ca 0.00 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.08 2qbj s VAL 24 Cb 0.00 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.80 2qbj s VAL 24 CO 0.00 0.00 0.08 0.42 -3.33 0.00 0.00 175.10 172.27 2qbj s THR 25 N -1.11 0.94 0.00 5.04 -4.23 -1.26 -0.81 115.64 114.21 2qbj s THR 25 Ca 0.02 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.53 2qbj s THR 25 Cb -0.01 -2.66 0.00 0.00 1.34 0.00 0.00 72.50 71.18 2qbj s THR 25 CO -0.02 0.00 0.00 1.15 -0.54 0.00 0.00 174.62 175.21 2qbj n MET 26 N -0.71 0.00 -1.85 3.99 0.00 -1.26 -4.91 117.12 112.38 2qbj n MET 26 Ca -0.03 0.00 -0.40 0.00 0.00 0.00 0.00 57.70 57.27 2qbj n MET 26 Cb 0.66 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.85 2qbj n MET 26 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 2qbj s PRO 27 N -2.00 2.76 1.11 3.17 0.04 -1.26 -2.13 135.00 136.69 2qbj s PRO 27 Ca 0.00 1.23 -0.13 0.00 0.04 0.00 0.00 61.00 62.13 2qbj s PRO 27 Cb 0.00 -4.38 0.25 0.00 0.04 0.00 0.00 34.50 30.41 2qbj s PRO 27 CO 0.00 -2.54 1.06 -1.54 0.04 0.00 0.00 177.00 174.02 2qbj s SER 28 N 8.57 1.54 -0.21 6.66 1.04 -0.97 -4.98 113.70 125.35 2qbj s SER 28 Ca 0.83 1.25 -0.30 0.00 0.48 0.00 0.00 55.95 58.20 2qbj s SER 28 Cb -0.19 -1.94 0.15 0.00 0.10 0.00 0.00 66.02 64.14 2qbj s SER 28 CO 0.28 -3.81 1.17 -0.94 0.98 0.00 0.00 173.24 170.91 2qbj s SER 29 N -3.06 -0.21 0.00 7.02 1.04 -1.26 -4.86 113.70 112.38 2qbj s SER 29 Ca 0.67 0.20 0.00 0.00 0.48 0.00 0.00 55.95 57.30 2qbj s SER 29 Cb -0.21 0.17 0.00 0.00 0.10 0.00 0.00 66.02 66.09 2qbj s SER 29 CO 0.61 -0.21 0.40 1.17 0.98 0.00 0.00 173.24 176.19 2qbj n LYS 30 N 0.52 0.00 -0.21 4.02 4.81 -1.26 -0.28 118.16 125.76 2qbj n LYS 30 Ca -0.05 0.40 -0.00 0.00 -0.87 0.00 0.00 58.31 57.79 2qbj n LYS 30 Cb 0.58 -0.63 0.11 0.00 0.02 0.00 0.00 35.03 35.12 2qbj n LYS 30 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 2qbj h LEU 31 N 0.00 0.26 -0.51 3.14 5.85 -2.00 -1.98 115.31 120.08 2qbj h LEU 31 Ca 0.00 0.07 0.09 0.00 0.84 0.00 0.00 57.88 58.88 2qbj h LEU 31 Cb 0.00 0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.00 2qbj h LEU 31 CO 0.00 0.16 0.09 0.11 -0.34 0.00 0.00 178.44 178.45 2qbj h LYS 32 N 0.44 0.21 0.84 1.25 1.57 -1.03 -1.73 116.57 118.11 2qbj h LYS 32 Ca 0.31 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 59.04 2qbj h LYS 32 Cb 0.37 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.63 2qbj h LYS 32 CO -0.29 0.14 -0.46 0.28 -0.57 0.00 0.00 179.45 178.55 2qbj h VAL 33 N 0.22 0.00 -0.84 0.50 2.07 -0.34 -1.38 116.25 116.47 2qbj h VAL 33 Ca 0.26 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.92 2qbj h VAL 33 Cb 0.35 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 29.97 2qbj h VAL 33 CO -0.35 0.00 -0.32 0.00 0.02 0.00 0.00 177.57 176.93 2qbj h ALA 34 N -1.31 0.25 -0.67 1.67 0.00 -1.16 0.52 119.26 118.56 2qbj h ALA 34 Ca -0.11 0.27 0.05 0.00 0.00 0.00 0.00 54.91 55.11 2qbj h ALA 34 Cb 0.94 0.83 -0.05 0.00 0.00 0.00 0.00 17.79 19.51 2qbj h ALA 34 CO 0.15 -0.56 0.39 0.82 0.00 0.00 0.00 179.25 180.05 2qbj h ILE 35 N -0.04 1.01 -0.67 0.00 2.04 -1.22 -1.30 117.51 117.33 2qbj h ILE 35 Ca 0.34 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.94 2qbj h ILE 35 Cb 0.60 0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 2qbj h ILE 35 CO -0.88 0.13 0.39 0.00 0.00 0.00 0.00 178.15 177.80 2qbj h ALA 36 N 1.32 1.43 0.26 1.87 0.00 0.10 -2.41 119.26 121.83 2qbj h ALA 36 Ca 0.29 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 2qbj h ALA 36 Cb 0.12 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2qbj h ALA 36 CO -0.15 0.49 -0.13 -0.97 0.00 0.00 0.00 179.25 178.49 2qbj h ASN 37 N 0.92 -0.30 -0.63 0.00 -0.00 0.45 -2.27 115.58 113.76 2qbj h ASN 37 Ca 0.24 -0.05 0.13 0.00 -0.00 0.00 0.00 56.30 56.62 2qbj h ASN 37 Cb -0.02 0.08 -0.10 0.00 -0.00 0.00 0.00 38.32 38.28 2qbj h ASN 37 CO -0.04 -0.14 0.08 0.58 -0.00 0.00 0.00 177.43 177.91 2qbj h VAL 38 N -0.44 0.55 -0.62 2.57 2.07 -1.07 0.47 116.25 119.78 2qbj h VAL 38 Ca -0.04 -0.07 0.07 0.00 0.82 0.00 0.00 66.70 67.49 2qbj h VAL 38 Cb 0.33 0.34 -0.04 0.00 -1.52 0.00 0.00 31.29 30.41 2qbj h VAL 38 CO 0.06 0.04 0.41 -0.07 0.02 0.00 0.00 177.57 178.03 2qbj h LEU 39 N 0.19 0.49 0.03 2.57 3.38 -1.21 0.26 115.31 121.03 2qbj h LEU 39 Ca 0.33 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.23 2qbj h LEU 39 Cb 0.53 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 41.19 2qbj h LEU 39 CO -0.48 0.31 -0.35 0.50 0.09 0.00 0.00 178.44 178.52 2qbj h LYS 40 N 0.55 0.18 0.00 1.13 3.64 0.05 0.42 116.57 122.54 2qbj h LYS 40 Ca 0.28 -0.23 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 2qbj h LYS 40 Cb 0.37 0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.26 2qbj h LYS 40 CO -0.08 1.03 -0.11 0.93 -2.27 0.00 0.00 179.45 178.94 2qbj h GLU 41 N -0.57 0.00 -0.01 1.90 4.39 0.23 -1.92 114.58 118.61 2qbj h GLU 41 Ca -0.05 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.65 2qbj h GLU 41 Cb 1.17 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.82 2qbj h GLU 41 CO 0.07 0.11 -0.29 0.39 -1.16 0.00 0.00 179.01 178.12 2qbj n GLU 42 N -4.09 1.02 -1.67 2.33 -0.58 0.86 -4.99 120.64 113.53 2qbj n GLU 42 Ca -0.02 -0.69 0.00 0.00 -0.42 0.00 0.00 57.16 56.03 2qbj n GLU 42 Cb 0.19 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.58 2qbj n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2qbj n GLY 43 N 1.35 0.68 0.00 0.62 0.00 -0.72 -5.00 105.19 102.12 2qbj n GLY 43 Ca 0.12 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.76 2qbj n GLY 43 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2qbj n PHE 44 N -1.19 0.00 -3.74 1.61 3.72 0.14 -4.99 117.46 113.01 2qbj n PHE 44 Ca 0.00 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.27 2qbj n PHE 44 Cb 0.48 0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 38.91 2qbj n PHE 44 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 2qbj s ILE 45 N -0.75 -0.01 0.15 4.37 -4.36 -1.18 -4.07 121.20 115.35 2qbj s ILE 45 Ca 0.00 0.02 -0.27 0.00 -0.26 0.00 0.00 60.65 60.14 2qbj s ILE 45 Cb 0.00 -0.50 -0.01 0.00 1.25 0.00 0.00 42.46 43.20 2qbj s ILE 45 CO 0.00 0.01 1.58 -0.33 0.24 0.00 0.00 174.94 176.44 2qbj h GLU 46 N 5.86 -0.35 0.00 0.37 4.39 -1.70 -3.41 114.58 119.74 2qbj h GLU 46 Ca -0.29 0.02 0.10 0.00 0.34 0.00 0.00 59.36 59.54 2qbj h GLU 46 Cb 1.18 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.89 2qbj h GLU 46 CO 0.29 -0.23 0.28 -3.47 -1.16 0.00 0.00 179.01 174.72 2qbj n ASP 47 N -5.42 -0.42 -3.51 1.42 2.03 -1.25 -5.02 116.55 104.37 2qbj n ASP 47 Ca -0.01 -1.12 -0.11 0.00 0.52 0.00 0.00 54.79 54.06 2qbj n ASP 47 Cb 0.35 0.66 -0.03 0.00 -0.72 0.00 0.00 41.12 41.38 2qbj n ASP 47 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 2qbj s PHE 48 N -3.08 -0.39 -0.22 -0.67 -0.71 -1.25 -1.79 117.98 109.87 2qbj s PHE 48 Ca 0.09 0.14 -0.07 0.00 -1.04 0.00 0.00 56.93 56.05 2qbj s PHE 48 Cb -0.00 0.43 0.10 0.00 -1.21 0.00 0.00 43.02 42.33 2qbj s PHE 48 CO 0.00 -0.78 0.46 0.21 -1.34 0.00 0.00 175.22 173.77 2qbj s LYS 49 N -3.76 0.37 -0.76 1.99 2.47 -0.39 -4.94 119.74 114.72 2qbj s LYS 49 Ca 0.02 1.11 -0.26 0.00 -1.56 0.00 0.00 55.97 55.27 2qbj s LYS 49 Cb 0.00 0.42 0.02 0.00 -1.46 0.00 0.00 37.83 36.81 2qbj s LYS 49 CO -0.12 -0.25 1.48 0.54 0.16 0.00 0.00 175.35 177.16 2qbj s VAL 50 N 2.67 3.65 0.05 4.02 0.11 -1.26 0.02 120.40 129.65 2qbj s VAL 50 Ca -0.02 0.15 -0.01 0.00 -2.93 0.00 0.00 61.98 59.17 2qbj s VAL 50 Cb -0.12 -4.65 0.01 0.00 -1.53 0.00 0.00 36.38 30.09 2qbj s VAL 50 CO -0.14 -1.59 0.07 1.21 -3.33 0.00 0.00 175.10 171.32 2qbj n GLU 51 N 9.24 0.10 -0.71 1.54 2.13 -1.23 -4.78 120.64 126.93 2qbj n GLU 51 Ca 0.14 -0.12 0.00 0.00 0.66 0.00 0.00 57.16 57.83 2qbj n GLU 51 Cb 0.50 -0.07 -0.00 0.00 0.27 0.00 0.00 31.44 32.14 2qbj n GLU 51 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2qbj n GLY 52 N 4.53 -3.36 0.00 8.31 0.00 -1.26 -1.25 105.19 112.16 2qbj n GLY 52 Ca 0.01 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.92 2qbj n GLY 52 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2qbj n ASP 53 N -2.04 0.00 -0.02 1.61 4.64 -1.26 -4.65 116.55 114.82 2qbj n ASP 53 Ca -0.00 0.00 -0.16 0.00 -1.38 0.00 0.00 54.79 53.25 2qbj n ASP 53 Cb 0.22 -0.36 -0.12 0.00 -1.04 0.00 0.00 41.12 39.83 2qbj n ASP 53 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2qbj h THR 54 N 0.00 1.56 -3.11 5.18 1.03 -2.04 -3.40 112.91 112.13 2qbj h THR 54 Ca 0.00 -2.05 -0.74 0.00 -0.01 0.00 0.00 66.41 63.61 2qbj h THR 54 Cb 0.00 2.86 -0.23 0.00 -1.07 0.00 0.00 68.15 69.71 2qbj h THR 54 CO 0.00 0.56 -0.17 -0.54 -0.01 0.00 0.00 175.52 175.36 2qbj s LYS 55 N -2.98 3.01 0.21 0.00 -0.14 -1.26 -5.05 119.74 113.53 2qbj s LYS 55 Ca -0.16 -1.51 -0.30 0.00 -1.36 0.00 0.00 55.97 52.64 2qbj s LYS 55 Cb 0.01 -4.25 -0.09 0.00 -1.68 0.00 0.00 37.83 31.82 2qbj s LYS 55 CO 0.75 -1.30 1.34 -1.25 -0.76 0.00 0.00 175.35 174.14 2qbj s PRO 56 N 1.87 4.36 0.23 -1.68 0.04 -1.26 -4.36 135.00 134.19 2qbj s PRO 56 Ca 0.05 2.12 0.02 0.00 0.04 0.00 0.00 61.00 63.24 2qbj s PRO 56 Cb -0.27 -3.17 0.02 0.00 0.04 0.00 0.00 34.50 31.12 2qbj s PRO 56 CO 0.05 -0.29 0.18 0.39 0.04 0.00 0.00 177.00 177.36 2qbj n GLU 57 N 2.51 1.14 -3.11 4.56 4.71 -0.38 -2.30 120.64 127.77 2qbj n GLU 57 Ca 0.06 -1.40 -0.06 0.00 -0.01 0.00 0.00 57.16 55.74 2qbj n GLU 57 Cb 0.42 0.14 -0.02 0.00 -1.01 0.00 0.00 31.44 30.96 2qbj n GLU 57 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 2qbj s LEU 58 N 0.00 -0.99 -1.00 -4.62 0.20 -0.91 -3.51 118.68 107.86 2qbj s LEU 58 Ca 0.14 -1.44 -0.25 0.00 0.69 0.00 0.00 54.13 53.27 2qbj s LEU 58 Cb -0.01 1.48 -0.17 0.00 -0.43 0.00 0.00 46.19 47.06 2qbj s LEU 58 CO 0.09 -0.15 1.95 -0.62 -0.29 0.00 0.00 176.35 177.33 2qbj n GLU 59 N 3.77 1.01 -2.98 1.98 1.02 0.10 -4.02 120.64 121.52 2qbj n GLU 59 Ca 0.15 -2.03 -0.44 0.00 -0.02 0.00 0.00 57.16 54.81 2qbj n GLU 59 Cb 0.54 -3.58 -0.00 0.00 -0.02 0.00 0.00 31.44 28.38 2qbj n GLU 59 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2qbj s LEU 60 N 10.59 5.17 0.06 -4.62 0.20 0.01 -1.27 118.68 128.83 2qbj s LEU 60 Ca 0.71 -2.88 -0.30 0.00 0.69 0.00 0.00 54.13 52.35 2qbj s LEU 60 Cb 0.02 -2.38 -0.09 0.00 -0.43 0.00 0.00 46.19 43.30 2qbj s LEU 60 CO 0.17 -0.76 1.83 0.42 -0.29 0.00 0.00 176.35 177.72 2qbj s THR 61 N 1.54 2.91 0.63 3.68 -4.23 -0.74 -2.87 115.64 116.55 2qbj s THR 61 Ca 0.40 0.18 -0.15 0.00 -1.18 0.00 0.00 61.69 60.94 2qbj s THR 61 Cb -0.04 -3.12 -0.02 0.00 1.34 0.00 0.00 72.50 70.67 2qbj s THR 61 CO -0.02 -0.01 1.07 -0.76 -0.54 0.00 0.00 174.62 174.36 2qbj s LEU 62 N 3.49 3.40 -0.01 4.79 1.02 -1.13 -2.80 118.68 127.45 2qbj s LEU 62 Ca 0.82 1.82 0.08 0.00 0.02 0.00 0.00 54.13 56.86 2qbj s LEU 62 Cb -0.42 -4.53 -0.02 0.00 0.02 0.00 0.00 46.19 41.24 2qbj s LEU 62 CO 0.37 -1.33 -0.25 -0.75 0.02 0.00 0.00 176.35 174.41 2qbj s LYS 63 N -4.26 2.00 -0.11 1.70 2.20 -1.26 -4.29 119.74 115.72 2qbj s LYS 63 Ca 0.63 -0.91 -0.01 0.00 -0.36 0.00 0.00 55.97 55.33 2qbj s LYS 63 Cb -0.17 -1.95 0.03 0.00 -1.51 0.00 0.00 37.83 34.23 2qbj s LYS 63 CO 0.41 0.53 -0.07 0.71 -0.36 0.00 0.00 175.35 176.58 2qbj s TYR 64 N -0.60 1.42 0.00 4.03 1.51 -1.26 -2.08 117.35 120.37 2qbj s TYR 64 Ca 0.10 -0.71 0.00 0.00 -1.01 0.00 0.00 57.07 55.45 2qbj s TYR 64 Cb -0.10 -1.20 0.00 0.00 -0.11 0.00 0.00 41.96 40.56 2qbj s TYR 64 CO -0.01 -0.50 0.00 0.34 -1.11 0.00 0.00 175.55 174.27 2qbj n PHE 65 N 4.96 0.00 0.00 2.71 7.35 -1.14 -4.87 117.46 126.47 2qbj n PHE 65 Ca -0.12 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.57 2qbj n PHE 65 Cb 0.50 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.33 2qbj n PHE 65 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 2qbj n GLN 66 N 0.00 0.00 -0.90 -4.13 6.02 -1.26 -4.78 117.38 112.33 2qbj n GLN 66 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.87 2qbj n GLN 66 Cb 0.00 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.22 2qbj n GLN 66 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2qbj n GLY 67 N 5.00 3.36 3.82 1.08 0.00 -1.26 -4.82 105.19 112.38 2qbj n GLY 67 Ca 0.00 -0.91 -0.08 0.00 0.00 0.00 0.00 46.02 45.03 2qbj n GLY 67 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qbj s LYS 68 N -0.52 2.02 -0.16 1.61 2.47 -1.26 -5.16 119.74 118.75 2qbj s LYS 68 Ca 0.35 -1.29 -0.07 0.00 -1.56 0.00 0.00 55.97 53.39 2qbj s LYS 68 Cb 0.21 0.57 -0.04 0.00 -1.46 0.00 0.00 37.83 37.11 2qbj s LYS 68 CO -0.04 -0.95 0.10 0.00 0.16 0.00 0.00 175.35 174.62 2qbj s ALA 69 N -2.38 3.61 0.29 3.13 0.00 -1.26 -2.89 121.76 122.27 2qbj s ALA 69 Ca 0.16 -0.70 0.05 0.00 0.00 0.00 0.00 51.96 51.46 2qbj s ALA 69 Cb -0.05 -1.96 0.71 0.00 0.00 0.00 0.00 23.12 21.82 2qbj s ALA 69 CO 0.10 0.35 1.76 0.28 0.00 0.00 0.00 175.76 178.25 2qbj h VAL 70 N 4.48 0.68 -1.44 0.00 2.07 -1.74 -3.28 116.25 117.00 2qbj h VAL 70 Ca -0.45 -0.24 -0.65 0.00 0.82 0.00 0.00 66.70 66.19 2qbj h VAL 70 Cb 1.18 -0.07 -0.12 0.00 -1.52 0.00 0.00 31.29 30.76 2qbj h VAL 70 CO 0.67 0.13 1.47 -0.69 0.02 0.00 0.00 177.57 179.17 2qbj s VAL 71 N -5.88 4.23 0.10 2.57 1.01 -1.26 -4.79 120.40 116.39 2qbj s VAL 71 Ca -0.11 -1.32 -0.11 0.00 0.00 0.00 0.00 61.98 60.43 2qbj s VAL 71 Cb 0.25 -5.01 -0.18 0.00 0.00 0.00 0.00 36.38 31.43 2qbj s VAL 71 CO 0.79 -1.83 1.28 1.05 0.00 0.00 0.00 175.10 176.39 2qbj h GLU 72 N 8.94 0.70 -2.77 2.72 9.09 -1.81 -3.46 114.58 127.98 2qbj h GLU 72 Ca 0.25 -0.64 -0.13 0.00 0.05 0.00 0.00 59.36 58.88 2qbj h GLU 72 Cb 0.98 0.16 -0.26 0.00 -1.65 0.00 0.00 28.75 27.97 2qbj h GLU 72 CO 1.35 1.25 -0.31 0.45 0.05 0.00 0.00 179.01 181.79 2qbj s SER 73 N -7.16 -0.43 -0.26 3.06 0.15 -1.26 -5.10 113.70 102.70 2qbj s SER 73 Ca -0.09 0.79 -0.02 0.00 0.70 0.00 0.00 55.95 57.33 2qbj s SER 73 Cb 0.08 0.73 0.15 0.00 -1.71 0.00 0.00 66.02 65.27 2qbj s SER 73 CO 0.90 -0.16 0.45 -0.51 1.20 0.00 0.00 173.24 175.12 2qbj s ILE 74 N 0.84 -0.73 0.18 6.45 2.07 -1.26 -2.27 121.20 126.48 2qbj s ILE 74 Ca -0.05 -0.06 0.09 0.00 -1.41 0.00 0.00 60.65 59.21 2qbj s ILE 74 Cb -0.06 -0.88 -0.04 0.00 0.13 0.00 0.00 42.46 41.60 2qbj s ILE 74 CO -0.06 -0.10 -0.18 -1.10 -1.91 0.00 0.00 174.94 171.59 2qbj s GLN 75 N 2.64 1.31 0.81 3.50 1.11 -1.25 -4.74 119.66 123.05 2qbj s GLN 75 Ca 0.15 -1.46 -0.11 0.00 0.01 0.00 0.00 55.36 53.95 2qbj s GLN 75 Cb -0.15 -1.34 0.08 0.00 -1.01 0.00 0.00 33.01 30.58 2qbj s GLN 75 CO -0.19 0.26 1.09 0.50 0.01 0.00 0.00 175.29 176.97 2qbj s ARG 76 N -2.96 2.00 0.00 2.91 6.06 -1.26 -2.20 118.95 123.50 2qbj s ARG 76 Ca 0.18 1.02 0.00 0.00 -2.50 0.00 0.00 55.73 54.43 2qbj s ARG 76 Cb -0.05 -1.88 0.00 0.00 0.06 0.00 0.00 34.95 33.08 2qbj s ARG 76 CO 0.07 -1.78 0.00 0.28 -2.50 0.00 0.00 175.30 171.37 2qbj n VAL 77 N -3.60 0.00 -0.48 7.11 0.31 -0.43 -4.76 118.33 116.48 2qbj n VAL 77 Ca 0.08 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.38 2qbj n VAL 77 Cb 0.54 -0.18 -0.05 0.00 -0.91 0.00 0.00 33.84 33.24 2qbj n VAL 77 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2qbj n SER 78 N -1.01 3.64 -4.40 4.52 2.88 -1.24 -4.84 113.62 113.16 2qbj n SER 78 Ca 0.00 -2.05 -0.34 0.00 -1.33 0.00 0.00 58.87 55.15 2qbj n SER 78 Cb 0.00 -0.85 0.10 0.00 -0.75 0.00 0.00 64.21 62.70 2qbj n SER 78 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 2qbj n ARG 79 N 2.05 -0.06 -0.88 -1.46 1.85 -1.26 -4.53 116.66 112.37 2qbj n ARG 79 Ca 0.11 0.02 -0.29 0.00 -1.00 0.00 0.00 57.85 56.70 2qbj n ARG 79 Cb 0.46 -1.79 0.23 0.00 -1.05 0.00 0.00 32.46 30.30 2qbj n ARG 79 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 2qbj s PRO 80 N -3.21 -0.69 0.00 2.89 0.04 -1.26 -2.87 135.00 129.89 2qbj s PRO 80 Ca 0.59 0.44 0.00 0.00 0.04 0.00 0.00 61.00 62.07 2qbj s PRO 80 Cb -0.26 -1.61 0.00 0.00 0.04 0.00 0.00 34.50 32.67 2qbj s PRO 80 CO 0.65 -3.47 0.00 0.41 0.04 0.00 0.00 177.00 174.63 2qbj n GLY 81 N -0.24 0.16 2.66 0.56 0.00 -1.26 -4.60 105.19 102.47 2qbj n GLY 81 Ca 0.06 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.04 2qbj n GLY 81 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2qbj n LEU 82 N 0.00 -1.15 -4.72 0.99 -0.00 -1.19 -5.17 117.00 105.76 2qbj n LEU 82 Ca 0.00 -1.66 -0.30 0.00 -0.00 0.00 0.00 56.01 54.06 2qbj n LEU 82 Cb 0.13 0.61 0.13 0.00 -0.00 0.00 0.00 43.42 44.29 2qbj n LEU 82 CO 0.00 1.54 0.67 -0.13 -0.00 0.00 0.00 177.39 179.47 2qbj s ARG 83 N 0.05 1.35 -0.08 1.96 1.81 -1.14 -4.09 118.95 118.81 2qbj s ARG 83 Ca 0.25 0.87 -0.03 0.00 -1.72 0.00 0.00 55.73 55.09 2qbj s ARG 83 Cb 0.22 -1.82 0.04 0.00 -0.45 0.00 0.00 34.95 32.95 2qbj s ARG 83 CO -0.09 -2.19 0.16 0.42 -0.68 0.00 0.00 175.30 172.92 2qbj s ILE 84 N -2.92 -0.16 -0.06 1.52 1.01 -1.26 -4.97 121.20 114.34 2qbj s ILE 84 Ca 0.63 0.26 0.03 0.00 0.00 0.00 0.00 60.65 61.58 2qbj s ILE 84 Cb -0.18 -0.28 0.01 0.00 0.01 0.00 0.00 42.46 42.01 2qbj s ILE 84 CO 0.57 0.11 -0.15 -0.31 0.00 0.00 0.00 174.94 175.16 2qbj s TYR 85 N 1.75 1.69 0.31 3.97 1.51 -1.26 -3.00 117.35 122.32 2qbj s TYR 85 Ca -0.03 -0.60 0.11 0.00 -1.01 0.00 0.00 57.07 55.54 2qbj s TYR 85 Cb -0.12 -1.18 -0.06 0.00 -0.11 0.00 0.00 41.96 40.49 2qbj s TYR 85 CO -0.06 -0.27 -0.16 0.15 -1.11 0.00 0.00 175.55 174.10 2qbj s LYS 86 N 0.45 1.73 0.60 -0.62 -0.14 -1.21 -5.03 119.74 115.53 2qbj s LYS 86 Ca -0.12 -1.84 -0.05 0.00 -1.36 0.00 0.00 55.97 52.59 2qbj s LYS 86 Cb -0.15 -1.74 0.02 0.00 -1.68 0.00 0.00 37.83 34.28 2qbj s LYS 86 CO 0.04 0.25 0.90 1.03 -0.76 0.00 0.00 175.35 176.82 2qbj s ARG 87 N -3.55 2.80 0.54 1.68 0.52 -1.26 -3.67 118.95 116.01 2qbj s ARG 87 Ca 0.31 -0.09 0.24 0.00 -0.52 0.00 0.00 55.73 55.67 2qbj s ARG 87 Cb -0.02 -2.28 1.42 0.00 0.52 0.00 0.00 34.95 34.59 2qbj s ARG 87 CO 0.16 -0.76 2.03 1.57 0.02 0.00 0.00 175.30 178.32 2qbj h LYS 88 N -0.20 0.00 -0.68 3.54 2.10 -1.92 0.72 116.57 120.13 2qbj h LYS 88 Ca -0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 2qbj h LYS 88 Cb 1.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 2qbj h LYS 88 CO 0.60 0.00 0.00 -0.40 -2.00 0.00 0.00 179.45 177.65 2qbj n ASP 89 N -4.30 3.92 -0.00 7.07 5.68 -1.26 -4.08 116.55 123.58 2qbj n ASP 89 Ca 0.06 -2.11 0.01 0.00 -0.50 0.00 0.00 54.79 52.25 2qbj n ASP 89 Cb 0.48 -0.49 -0.01 0.00 -1.14 0.00 0.00 41.12 39.96 2qbj n ASP 89 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2qbj n GLU 90 N 1.40 4.69 -1.68 0.11 1.02 0.24 -5.04 120.64 121.39 2qbj n GLU 90 Ca 0.23 -0.00 -0.58 0.00 -0.02 0.00 0.00 57.16 56.79 2qbj n GLU 90 Cb 0.65 -0.70 -0.07 0.00 -0.02 0.00 0.00 31.44 31.30 2qbj n GLU 90 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2qbj n LEU 91 N -1.18 1.82 -4.77 -4.62 4.77 -0.42 -4.75 117.00 107.84 2qbj n LEU 91 Ca 0.00 1.11 -0.36 0.00 -0.03 0.00 0.00 56.01 56.73 2qbj n LEU 91 Cb 0.02 -1.09 -0.01 0.00 -2.33 0.00 0.00 43.42 40.02 2qbj n LEU 91 CO 0.03 -0.76 0.81 -2.16 -1.33 0.00 0.00 177.39 173.97 2qbj s PRO 92 N 2.50 3.60 -0.73 3.23 0.04 -1.26 -5.00 135.00 137.38 2qbj s PRO 92 Ca 0.96 1.69 -0.08 0.00 0.04 0.00 0.00 61.00 63.62 2qbj s PRO 92 Cb -1.14 -2.24 0.19 0.00 0.04 0.00 0.00 34.50 31.35 2qbj s PRO 92 CO 0.64 -0.66 0.60 0.15 0.04 0.00 0.00 177.00 177.77 2qbj s LYS 93 N -2.94 3.07 0.24 4.56 1.02 -1.26 -4.75 119.74 119.68 2qbj s LYS 93 Ca 0.67 -2.54 -0.30 0.00 0.02 0.00 0.00 55.97 53.81 2qbj s LYS 93 Cb -0.26 -4.05 -0.14 0.00 -0.52 0.00 0.00 37.83 32.85 2qbj s LYS 93 CO 0.31 -1.23 1.17 0.28 -0.92 0.00 0.00 175.35 174.96 2qbj n VAL 94 N 3.63 1.37 -4.09 3.17 0.31 -1.26 -2.88 118.33 118.59 2qbj n VAL 94 Ca 0.11 -0.34 -0.43 0.00 -0.01 0.00 0.00 64.34 63.67 2qbj n VAL 94 Cb 0.42 -1.09 0.01 0.00 -0.91 0.00 0.00 33.84 32.26 2qbj n VAL 94 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 2qbj n MET 95 N 1.37 -0.32 -1.28 5.55 0.00 -1.26 0.29 117.12 121.46 2qbj n MET 95 Ca 0.12 0.02 -0.09 0.00 -0.00 0.00 0.00 57.70 57.75 2qbj n MET 95 Cb 0.30 -2.34 -0.04 0.00 0.00 0.00 0.00 33.22 31.14 2qbj n MET 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2qbj n ALA 96 N -4.79 -0.15 0.00 -5.12 0.00 -1.14 0.37 120.51 109.69 2qbj n ALA 96 Ca -0.13 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2qbj n ALA 96 Cb 0.54 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.99 2qbj n ALA 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qbj n GLY 97 N -0.17 2.54 0.00 0.00 0.00 0.14 -4.91 105.19 102.79 2qbj n GLY 97 Ca -0.09 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.04 2qbj n GLY 97 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qbj n LEU 98 N 0.00 0.00 -4.80 0.99 4.77 0.16 -4.79 117.00 113.33 2qbj n LEU 98 Ca 0.00 0.41 -0.30 0.00 -0.03 0.00 0.00 56.01 56.09 2qbj n LEU 98 Cb 0.00 -0.41 -0.05 0.00 -2.33 0.00 0.00 43.42 40.63 2qbj n LEU 98 CO 0.00 -0.11 -0.15 -0.83 -1.33 0.00 0.00 177.39 174.97 2qbj s GLY 99 N -2.81 2.76 0.06 -0.72 0.00 -0.66 -4.93 107.32 101.00 2qbj s GLY 99 Ca 0.15 -0.82 0.07 0.00 0.00 0.00 0.00 44.72 44.11 2qbj s GLY 99 CO 0.37 -2.09 -0.19 -0.26 0.00 0.00 0.00 173.10 170.92 2qbj s ILE 100 N -2.82 1.56 -0.42 0.90 -4.36 -0.89 -4.42 121.20 110.76 2qbj s ILE 100 Ca 0.18 -1.24 0.03 0.00 -0.26 0.00 0.00 60.65 59.36 2qbj s ILE 100 Cb 0.01 -1.38 0.11 0.00 1.25 0.00 0.00 42.46 42.45 2qbj s ILE 100 CO 0.11 0.10 0.14 0.00 0.24 0.00 0.00 174.94 175.53 2qbj s ALA 101 N -0.90 3.08 -0.07 2.27 0.00 -1.26 -1.38 121.76 123.50 2qbj s ALA 101 Ca 0.06 -2.82 -0.32 0.00 0.00 0.00 0.00 51.96 48.87 2qbj s ALA 101 Cb -0.09 -2.08 -0.10 0.00 0.00 0.00 0.00 23.12 20.85 2qbj s ALA 101 CO 0.02 -1.82 1.96 0.28 0.00 0.00 0.00 175.76 176.20 2qbj n VAL 102 N 3.84 0.62 -4.63 0.00 0.31 -0.79 -2.04 118.33 115.63 2qbj n VAL 102 Ca 0.04 -0.16 -0.24 0.00 -0.01 0.00 0.00 64.34 63.97 2qbj n VAL 102 Cb 0.38 -2.09 -0.16 0.00 -0.91 0.00 0.00 33.84 31.06 2qbj n VAL 102 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2qbj s VAL 103 N 4.75 1.16 -0.60 2.52 1.01 -1.01 0.30 120.40 128.52 2qbj s VAL 103 Ca 0.93 -0.54 -0.24 0.00 0.00 0.00 0.00 61.98 62.14 2qbj s VAL 103 Cb -0.57 -1.03 0.05 0.00 0.00 0.00 0.00 36.38 34.83 2qbj s VAL 103 CO 0.47 0.35 0.96 -0.55 0.00 0.00 0.00 175.10 176.32 2qbj s SER 104 N 0.32 6.26 0.43 3.32 0.15 0.12 -2.72 113.70 121.58 2qbj s SER 104 Ca -0.08 -0.61 0.03 0.00 0.70 0.00 0.00 55.95 55.99 2qbj s SER 104 Cb -0.12 -2.43 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 2qbj s SER 104 CO 0.02 -1.33 0.62 0.42 1.20 0.00 0.00 173.24 174.17 2qbj s THR 105 N 4.05 3.75 -1.09 6.45 -4.23 0.52 -1.98 115.64 123.11 2qbj s THR 105 Ca 0.27 -0.71 0.13 0.00 -1.18 0.00 0.00 61.69 60.20 2qbj s THR 105 Cb -0.14 -3.35 0.13 0.00 1.34 0.00 0.00 72.50 70.48 2qbj s THR 105 CO 0.15 -0.21 1.39 -0.24 -0.54 0.00 0.00 174.62 175.18 2qbj n SER 106 N -1.97 0.00 -0.01 3.99 2.88 -1.26 -1.77 113.62 115.48 2qbj n SER 106 Ca 0.02 0.42 0.09 0.00 -1.33 0.00 0.00 58.87 58.08 2qbj n SER 106 Cb 0.58 -0.46 -0.14 0.00 -0.75 0.00 0.00 64.21 63.45 2qbj n SER 106 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2qbj n LYS 107 N -1.46 0.66 -2.62 -1.46 4.76 -1.26 -5.09 118.16 111.70 2qbj n LYS 107 Ca 0.04 -0.13 0.00 0.00 -2.87 0.00 0.00 58.31 55.34 2qbj n LYS 107 Cb 0.14 -1.42 0.00 0.00 -1.84 0.00 0.00 35.03 31.90 2qbj n LYS 107 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2qbj n GLY 108 N 1.44 -1.18 3.37 0.72 0.00 -0.73 -5.04 105.19 103.77 2qbj n GLY 108 Ca -0.02 -1.51 -0.46 0.00 0.00 0.00 0.00 46.02 44.03 2qbj n GLY 108 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qbj s VAL 109 N -2.04 5.21 0.00 1.61 1.01 -1.26 -0.35 120.40 124.57 2qbj s VAL 109 Ca 0.00 -1.95 0.00 0.00 0.00 0.00 0.00 61.98 60.03 2qbj s VAL 109 Cb 0.00 -4.57 0.00 0.00 0.00 0.00 0.00 36.38 31.81 2qbj s VAL 109 CO 0.00 -1.19 0.00 1.15 0.00 0.00 0.00 175.10 175.06 2qbj n MET 110 N 5.17 1.62 -3.69 2.72 3.85 -1.10 -4.81 117.12 120.88 2qbj n MET 110 Ca 0.13 0.00 -0.21 0.00 -1.00 0.00 0.00 57.70 56.62 2qbj n MET 110 Cb 0.47 0.00 -0.01 0.00 -1.05 0.00 0.00 33.22 32.63 2qbj n MET 110 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 2qbj s THR 111 N 0.32 4.88 0.00 3.17 -4.23 -1.26 -2.42 115.64 116.10 2qbj s THR 111 Ca 0.00 -0.87 0.00 0.00 -1.18 0.00 0.00 61.69 59.64 2qbj s THR 111 Cb 0.00 -3.73 0.00 0.00 1.34 0.00 0.00 72.50 70.11 2qbj s THR 111 CO 0.00 -0.33 0.81 -0.90 -0.54 0.00 0.00 174.62 173.66 2qbj n ASP 112 N -1.57 0.00 -0.35 3.99 5.75 -0.87 -1.28 116.55 122.22 2qbj n ASP 112 Ca -0.06 0.81 0.10 0.00 -0.01 0.00 0.00 54.79 55.63 2qbj n ASP 112 Cb 0.57 -0.31 0.21 0.00 -1.03 0.00 0.00 41.12 40.56 2qbj n ASP 112 CO 0.00 0.00 0.00 -0.09 -0.11 0.00 0.00 177.20 177.00 2qbj h ARG 113 N 0.00 0.00 0.08 0.11 1.12 -1.89 0.12 114.38 113.93 2qbj h ARG 113 Ca 0.00 -0.00 -0.00 0.00 -1.11 0.00 0.00 59.98 58.87 2qbj h ARG 113 Cb 0.00 -0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 29.95 2qbj h ARG 113 CO 0.00 0.00 -0.10 0.00 -3.11 0.00 0.00 179.97 176.76 2qbj h ALA 114 N 1.99 -0.79 -0.69 2.80 0.00 -1.88 -2.27 119.26 118.42 2qbj h ALA 114 Ca 0.53 -0.03 0.13 0.00 0.00 0.00 0.00 54.91 55.54 2qbj h ALA 114 Cb 0.96 0.39 -0.09 0.00 0.00 0.00 0.00 17.79 19.05 2qbj h ALA 114 CO -0.98 -0.80 0.23 0.00 0.00 0.00 0.00 179.25 177.70 2qbj h ALA 115 N -1.53 0.92 -0.67 0.00 0.00 -0.32 -1.37 119.26 116.29 2qbj h ALA 115 Ca -0.01 0.12 0.13 0.00 0.00 0.00 0.00 54.91 55.15 2qbj h ALA 115 Cb 0.17 0.12 -0.13 0.00 0.00 0.00 0.00 17.79 17.95 2qbj h ALA 115 CO -0.02 -0.24 -0.17 -0.09 0.00 0.00 0.00 179.25 178.73 2qbj h ARG 116 N 0.38 -0.00 -0.20 0.00 2.43 -0.62 -1.12 114.38 115.24 2qbj h ARG 116 Ca 0.37 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.45 2qbj h ARG 116 Cb 0.56 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.10 2qbj h ARG 116 CO -0.40 -0.00 -0.23 1.96 -1.51 0.00 0.00 179.97 179.79 2qbj h GLN 117 N -0.00 0.50 0.00 0.20 4.20 -0.74 -2.85 115.11 116.42 2qbj h GLN 117 Ca 0.32 -0.28 0.00 0.00 0.06 0.00 0.00 58.65 58.75 2qbj h GLN 117 Cb 0.49 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.28 2qbj h GLN 117 CO -0.69 0.86 0.47 0.00 -0.67 0.00 0.00 178.83 178.81 2qbj h ALA 118 N 0.64 1.45 -0.10 3.87 0.00 -0.18 -3.44 119.26 121.50 2qbj h ALA 118 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2qbj h ALA 118 Cb 0.78 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2qbj h ALA 118 CO 0.05 -0.45 0.00 0.41 0.00 0.00 0.00 179.25 179.26 2qbj n GLY 119 N -1.28 0.97 3.26 0.00 0.00 -0.81 -5.08 105.19 102.24 2qbj n GLY 119 Ca -0.01 -0.54 -0.10 0.00 0.00 0.00 0.00 46.02 45.37 2qbj n GLY 119 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2qbj s LEU 120 N -0.10 1.30 0.23 0.99 2.34 -1.10 -4.99 118.68 117.36 2qbj s LEU 120 Ca 0.00 -1.01 0.01 0.00 0.06 0.00 0.00 54.13 53.19 2qbj s LEU 120 Cb 0.00 0.82 -0.05 0.00 -0.56 0.00 0.00 46.19 46.41 2qbj s LEU 120 CO 0.00 -0.82 0.09 -0.83 -1.06 0.00 0.00 176.35 173.73 2qbj s GLY 121 N -3.00 1.58 0.00 -3.48 0.00 -1.26 -4.03 107.32 97.13 2qbj s GLY 121 Ca 0.20 -1.78 0.00 0.00 0.00 0.00 0.00 44.72 43.13 2qbj s GLY 121 CO 0.01 -1.53 0.00 0.61 0.00 0.00 0.00 173.10 172.18 2qbj n GLY 122 N -0.38 1.68 3.66 0.20 0.00 -1.24 -4.49 105.19 104.63 2qbj n GLY 122 Ca -0.00 -0.91 -0.43 0.00 0.00 0.00 0.00 46.02 44.68 2qbj n GLY 122 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2qbj s GLU 123 N -1.50 4.26 1.26 1.61 2.12 -0.84 -3.33 118.70 122.29 2qbj s GLU 123 Ca 0.00 1.55 -0.16 0.00 0.36 0.00 0.00 54.97 56.73 2qbj s GLU 123 Cb 0.00 -3.69 0.32 0.00 0.26 0.00 0.00 34.13 31.02 2qbj s GLU 123 CO 0.00 -0.64 0.99 0.42 -0.54 0.00 0.00 175.26 175.49 2qbj s ILE 124 N 3.20 1.78 0.00 -3.70 1.01 -1.16 0.13 121.20 122.46 2qbj s ILE 124 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 60.65 61.16 2qbj s ILE 124 Cb -0.20 -2.03 0.00 0.00 0.01 0.00 0.00 42.46 40.24 2qbj s ILE 124 CO 0.13 0.00 0.00 -0.38 0.00 0.00 0.00 174.94 174.69 2qbj n ILE 125 N -5.22 0.00 -3.62 2.92 5.41 0.15 -4.25 119.36 114.76 2qbj n ILE 125 Ca 0.05 0.00 -0.03 0.00 1.00 0.00 0.00 62.75 63.76 2qbj n ILE 125 Cb 0.56 -0.42 -0.01 0.00 -0.71 0.00 0.00 39.64 39.06 2qbj n ILE 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2qbj s TYR 127 N -2.79 3.44 -0.98 0.00 2.02 -0.93 -1.89 117.35 116.22 2qbj s TYR 127 Ca 0.10 -2.75 -0.18 0.00 -0.37 0.00 0.00 57.07 53.87 2qbj s TYR 127 Cb 0.01 -3.11 0.13 0.00 -0.40 0.00 0.00 41.96 38.58 2qbj s TYR 127 CO -0.04 -0.86 1.20 0.08 -1.57 0.00 0.00 175.55 174.36 2qbj s VAL 128 N 0.27 4.70 -2.00 0.71 1.01 -0.48 -3.80 120.40 120.81 2qbj s VAL 128 Ca 0.14 -1.67 0.08 0.00 0.00 0.00 0.00 61.98 60.54 2qbj s VAL 128 Cb -0.22 -4.83 0.24 0.00 0.00 0.00 0.00 36.38 31.57 2qbj s VAL 128 CO -0.03 -1.56 0.95 0.00 0.00 0.00 0.00 175.10 174.45