#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qxn n ASP 2 N 0.00 5.51 -0.42 0.00 9.92 -1.26 -4.36 116.55 125.93 1qxn n ASP 2 Ca 0.00 -2.87 0.04 0.00 -0.53 0.00 0.00 54.79 51.43 1qxn n ASP 2 Cb 0.00 -1.58 0.10 0.00 -0.64 0.00 0.00 41.12 39.01 1qxn n ASP 2 CO 0.00 0.00 0.00 0.23 0.13 0.00 0.00 177.20 177.56 1qxn n MET 3 N 4.73 2.91 -0.30 -1.24 2.81 -1.26 -4.67 117.12 120.10 1qxn n MET 3 Ca 0.56 -1.87 -0.05 0.00 -1.81 0.00 0.00 57.70 54.53 1qxn n MET 3 Cb 0.34 -1.18 0.08 0.00 -0.71 0.00 0.00 33.22 31.75 1qxn n MET 3 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 1qxn h GLY 4 N 1.34 1.29 1.73 3.03 0.00 -2.01 -1.58 103.07 106.87 1qxn h GLY 4 Ca 0.00 -0.66 -0.06 0.00 0.00 0.00 0.00 47.33 46.61 1qxn h GLY 4 CO 0.00 0.63 -0.14 0.83 0.00 0.00 0.00 176.54 177.85 1qxn h GLU 5 N 1.18 0.33 0.58 4.80 3.07 -1.97 -2.16 114.58 120.42 1qxn h GLU 5 Ca 0.28 -0.09 -0.03 0.00 -0.50 0.00 0.00 59.36 59.03 1qxn h GLU 5 Cb 0.16 -0.04 0.01 0.00 -0.84 0.00 0.00 28.75 28.03 1qxn h GLU 5 CO -0.03 0.47 -0.28 0.87 -1.40 0.00 0.00 179.01 178.64 1qxn h LYS 6 N 0.31 -0.75 0.00 2.33 1.79 -1.61 -3.27 116.57 115.36 1qxn h LYS 6 Ca 0.06 0.05 -0.14 0.00 -2.18 0.00 0.00 60.65 58.44 1qxn h LYS 6 Cb 0.44 0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 31.24 1qxn h LYS 6 CO 0.03 -0.44 -0.70 0.27 -1.08 0.00 0.00 179.45 177.52 1qxn h PHE 7 N -1.02 0.00 -0.22 -1.35 -5.15 -1.48 -3.29 116.94 104.42 1qxn h PHE 7 Ca -0.08 0.00 0.05 0.00 -0.20 0.00 0.00 57.97 57.74 1qxn h PHE 7 Cb 0.66 0.00 -0.06 0.00 0.22 0.00 0.00 35.95 36.77 1qxn h PHE 7 CO 0.00 0.67 -0.13 0.22 -2.00 0.00 0.00 178.31 177.07 1qxn h ASP 8 N 0.00 -0.43 -0.49 -0.68 1.82 -1.48 0.13 116.42 115.30 1qxn h ASP 8 Ca -0.01 0.10 -0.05 0.00 -0.39 0.00 0.00 57.03 56.67 1qxn h ASP 8 Cb 1.52 0.23 -0.02 0.00 0.68 0.00 0.00 39.33 41.74 1qxn h ASP 8 CO 0.09 -0.17 0.12 0.00 -1.61 0.00 0.00 179.24 177.66 1qxn h ALA 9 N 1.06 0.64 -0.44 -0.78 0.00 -1.68 -3.14 119.26 114.92 1qxn h ALA 9 Ca 0.12 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.69 1qxn h ALA 9 Cb 0.30 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1qxn h ALA 9 CO -0.29 0.33 -0.24 1.15 0.00 0.00 0.00 179.25 180.20 1qxn h THR 10 N 0.66 1.27 -0.47 0.00 2.02 -1.52 -2.23 112.91 112.64 1qxn h THR 10 Ca 0.15 -1.40 0.03 0.00 0.77 0.00 0.00 66.41 65.97 1qxn h THR 10 Cb 0.33 1.23 -0.04 0.00 -1.74 0.00 0.00 68.15 67.93 1qxn h THR 10 CO 0.00 0.48 0.25 0.15 0.37 0.00 0.00 175.52 176.77 1qxn h PHE 11 N 0.77 0.46 0.00 3.16 3.04 -0.75 0.25 116.94 123.87 1qxn h PHE 11 Ca 0.09 0.02 -0.03 0.00 3.98 0.00 0.00 57.97 62.03 1qxn h PHE 11 Cb 0.82 -0.14 -0.00 0.00 2.56 0.00 0.00 35.95 39.19 1qxn h PHE 11 CO 0.06 0.24 -0.13 -0.22 -2.02 0.00 0.00 178.31 176.23 1qxn h LYS 12 N 0.49 0.00 -0.03 1.11 1.63 -1.53 -1.08 116.57 117.16 1qxn h LYS 12 Ca 0.20 0.00 -0.14 0.00 -0.85 0.00 0.00 60.65 59.86 1qxn h LYS 12 Cb 0.09 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 31.73 1qxn h LYS 12 CO -0.13 0.13 -0.53 0.00 -3.45 0.00 0.00 179.45 175.48 1qxn h ALA 13 N 1.87 0.10 0.06 5.00 0.00 -0.20 -2.80 119.26 123.28 1qxn h ALA 13 Ca -0.00 -0.54 -0.00 0.00 0.00 0.00 0.00 54.91 54.37 1qxn h ALA 13 Cb 0.37 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1qxn h ALA 13 CO 0.02 0.32 -0.03 1.96 0.00 0.00 0.00 179.25 181.52 1qxn h GLN 14 N -0.10 -0.07 -0.54 0.00 4.20 -0.30 -3.20 115.11 115.09 1qxn h GLN 14 Ca -0.06 0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.73 1qxn h GLN 14 Cb 1.23 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.99 1qxn h GLN 14 CO 0.11 0.45 0.36 0.28 -0.67 0.00 0.00 178.83 179.36 1qxn h VAL 15 N -0.65 0.94 -0.84 -0.54 2.07 -1.35 -0.64 116.25 115.24 1qxn h VAL 15 Ca -0.01 -0.15 0.09 0.00 0.82 0.00 0.00 66.70 67.45 1qxn h VAL 15 Cb 0.56 0.48 -0.06 0.00 -1.52 0.00 0.00 31.29 30.75 1qxn h VAL 15 CO 0.01 0.08 0.55 0.50 0.02 0.00 0.00 177.57 178.73 1qxn h LYS 16 N 0.43 0.81 0.00 1.57 3.64 -1.49 -0.37 116.57 121.15 1qxn h LYS 16 Ca 0.24 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.55 1qxn h LYS 16 Cb 0.40 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.03 1qxn h LYS 16 CO -0.06 0.53 -0.10 0.00 -2.27 0.00 0.00 179.45 177.55 1qxn h ALA 17 N 1.57 1.44 -0.04 5.00 0.00 -1.13 -1.58 119.26 124.52 1qxn h ALA 17 Ca 0.38 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 55.06 1qxn h ALA 17 Cb 0.38 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1qxn h ALA 17 CO -0.15 0.13 -0.61 0.00 0.00 0.00 0.00 179.25 178.62 1qxn h ALA 18 N 1.90 0.91 0.00 0.00 0.00 -1.11 -2.20 119.26 118.76 1qxn h ALA 18 Ca -0.00 -0.55 -0.04 0.00 0.00 0.00 0.00 54.91 54.32 1qxn h ALA 18 Cb 0.25 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1qxn h ALA 18 CO 0.01 0.74 -0.20 0.87 0.00 0.00 0.00 179.25 180.68 1qxn h LYS 19 N 0.10 0.00 0.00 0.00 1.57 -1.27 -2.94 116.57 114.03 1qxn h LYS 19 Ca -0.01 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1qxn h LYS 19 Cb 1.10 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.40 1qxn h LYS 19 CO 0.09 0.20 -0.09 0.00 -0.57 0.00 0.00 179.45 179.08 1qxn h ALA 20 N 1.80 0.97 0.00 3.86 0.00 -0.78 -3.13 119.26 121.99 1qxn h ALA 20 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1qxn h ALA 20 Cb 0.96 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1qxn h ALA 20 CO 0.03 0.11 0.00 -3.47 0.00 0.00 0.00 179.25 175.92 1qxn n ASP 21 N -3.16 0.00 -4.41 0.00 -0.08 -0.99 -4.85 116.55 103.06 1qxn n ASP 21 Ca 0.02 0.38 -0.23 0.00 -1.51 0.00 0.00 54.79 53.45 1qxn n ASP 21 Cb 0.46 -0.46 -0.10 0.00 2.34 0.00 0.00 41.12 43.36 1qxn n ASP 21 CO 0.00 0.00 0.00 -0.04 0.12 0.00 0.00 177.20 177.28 1qxn s MET 22 N -2.91 1.72 -0.47 -0.67 -1.94 -1.18 -4.89 119.30 108.96 1qxn s MET 22 Ca 0.14 -1.98 -0.26 0.00 -1.71 0.00 0.00 55.69 51.89 1qxn s MET 22 Cb 0.16 -0.86 0.03 0.00 2.01 0.00 0.00 34.83 36.17 1qxn s MET 22 CO 0.43 -0.24 0.96 0.08 -0.01 0.00 0.00 175.02 176.24 1qxn s VAL 23 N -3.26 4.42 -0.62 -6.03 1.01 -1.16 -4.81 120.40 109.95 1qxn s VAL 23 Ca 0.33 0.77 -0.28 0.00 0.00 0.00 0.00 61.98 62.81 1qxn s VAL 23 Cb 0.08 -4.47 0.02 0.00 0.00 0.00 0.00 36.38 32.01 1qxn s VAL 23 CO 0.15 -0.89 1.34 -0.04 0.00 0.00 0.00 175.10 175.67 1qxn s MET 24 N 3.88 3.28 -0.01 2.72 -1.94 -1.26 -0.73 119.30 125.24 1qxn s MET 24 Ca 0.38 0.20 0.08 0.00 -1.71 0.00 0.00 55.69 54.63 1qxn s MET 24 Cb -0.10 -4.13 -0.02 0.00 2.01 0.00 0.00 34.83 32.59 1qxn s MET 24 CO 0.27 -1.99 -0.25 -0.51 -0.01 0.00 0.00 175.02 172.53 1qxn s LEU 25 N 5.86 2.07 0.31 -0.03 1.43 0.74 -4.85 118.68 124.21 1qxn s LEU 25 Ca 0.45 -0.47 -0.28 0.00 -1.03 0.00 0.00 54.13 52.81 1qxn s LEU 25 Cb -0.09 -1.26 -0.09 0.00 0.03 0.00 0.00 46.19 44.78 1qxn s LEU 25 CO 0.22 0.29 1.08 -0.44 0.23 0.00 0.00 176.35 177.73 1qxn s SER 26 N -0.71 7.12 0.55 2.29 0.01 -1.26 -2.36 113.70 119.35 1qxn s SER 26 Ca 0.10 2.19 0.43 0.00 1.31 0.00 0.00 55.95 59.98 1qxn s SER 26 Cb -0.10 -2.61 1.64 0.00 0.21 0.00 0.00 66.02 65.16 1qxn s SER 26 CO -0.00 -0.24 1.70 1.55 0.41 0.00 0.00 173.24 176.66 1qxn h PRO 27 N 3.43 0.00 -0.11 12.44 0.13 -1.93 0.26 132.00 146.24 1qxn h PRO 27 Ca -0.47 -0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.49 1qxn h PRO 27 Cb 1.21 -0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.35 1qxn h PRO 27 CO 0.66 0.00 -0.60 1.57 -0.23 0.00 0.00 178.00 179.40 1qxn h LYS 28 N 0.00 0.59 -0.09 0.86 2.10 -1.94 0.29 116.57 118.38 1qxn h LYS 28 Ca 0.74 -0.49 -0.14 0.00 -2.00 0.00 0.00 60.65 58.75 1qxn h LYS 28 Cb 2.94 0.11 -0.01 0.00 -0.90 0.00 0.00 32.23 34.37 1qxn h LYS 28 CO -0.01 1.12 -0.57 0.22 -2.00 0.00 0.00 179.45 178.21 1qxn h ASP 29 N 0.22 0.32 -0.16 7.07 1.82 -1.01 -0.61 116.42 124.07 1qxn h ASP 29 Ca -0.04 -0.17 -0.02 0.00 -0.39 0.00 0.00 57.03 56.40 1qxn h ASP 29 Cb 1.24 -0.09 -0.01 0.00 0.68 0.00 0.00 39.33 41.15 1qxn h ASP 29 CO 0.12 0.82 0.01 0.00 -1.61 0.00 0.00 179.24 178.58 1qxn h ALA 30 N 1.19 0.21 -0.04 -0.78 0.00 -0.63 -2.67 119.26 116.53 1qxn h ALA 30 Ca -0.00 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 1qxn h ALA 30 Cb 1.06 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1qxn h ALA 30 CO 0.09 -0.09 -0.19 -0.92 0.00 0.00 0.00 179.25 178.14 1qxn h TYR 31 N 0.03 0.06 0.10 0.00 3.20 -0.80 -1.23 116.97 118.34 1qxn h TYR 31 Ca 0.05 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.92 1qxn h TYR 31 Cb 0.36 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.59 1qxn h TYR 31 CO 0.03 0.25 -0.16 -0.22 -1.64 0.00 0.00 178.16 176.42 1qxn h LYS 32 N 0.06 -0.30 0.00 1.82 3.64 -0.77 0.34 116.57 121.36 1qxn h LYS 32 Ca 0.01 0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.30 1qxn h LYS 32 Cb 0.37 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 1qxn h LYS 32 CO 0.03 -0.20 -0.51 1.37 -2.27 0.00 0.00 179.45 177.87 1qxn h LEU 33 N -0.31 0.00 0.42 5.20 8.10 -1.32 -2.73 115.31 124.67 1qxn h LEU 33 Ca 0.02 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 57.99 1qxn h LEU 33 Cb 0.32 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.55 1qxn h LEU 33 CO -0.08 0.51 -0.20 -0.07 -4.11 0.00 0.00 178.44 174.49 1qxn h LEU 34 N 0.00 -0.48 -0.40 0.17 3.38 -0.64 -1.24 115.31 116.11 1qxn h LEU 34 Ca -0.01 -0.05 -0.14 0.00 0.09 0.00 0.00 57.88 57.78 1qxn h LEU 34 Cb 1.08 0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.93 1qxn h LEU 34 CO 0.07 -0.25 -0.66 0.06 0.09 0.00 0.00 178.44 177.75 1qxn h GLN 35 N -0.68 0.00 0.10 1.13 3.07 -1.00 -3.27 115.11 114.46 1qxn h GLN 35 Ca -0.06 0.00 -0.26 0.00 0.09 0.00 0.00 58.65 58.42 1qxn h GLN 35 Cb 0.49 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.05 1qxn h GLN 35 CO 0.09 0.66 -1.18 0.93 0.09 0.00 0.00 178.83 179.42 1qxn h GLU 36 N 0.00 0.23 -3.98 0.06 5.08 -1.51 -3.40 114.58 111.07 1qxn h GLU 36 Ca -0.01 -0.38 -0.66 0.00 -1.00 0.00 0.00 59.36 57.31 1qxn h GLU 36 Cb 1.33 0.14 -0.39 0.00 0.50 0.00 0.00 28.75 30.33 1qxn h GLU 36 CO 0.09 1.17 -0.59 -0.80 -1.00 0.00 0.00 179.01 177.88 1qxn s ASN 37 N -7.07 4.77 0.00 1.42 0.01 -0.47 -4.97 114.94 108.63 1qxn s ASN 37 Ca -0.03 -2.58 0.01 0.00 -0.71 0.00 0.00 52.86 49.55 1qxn s ASN 37 Cb 0.08 -1.71 0.07 0.00 0.41 0.00 0.00 41.25 40.10 1qxn s ASN 37 CO 0.87 -0.35 0.71 -2.65 -1.51 0.00 0.00 177.10 174.17 1qxn n PRO 38 N 3.74 0.03 0.02 -0.60 -0.02 -1.25 -0.85 135.00 136.07 1qxn n PRO 38 Ca 0.04 0.14 0.11 0.00 -2.02 0.00 0.00 63.50 61.77 1qxn n PRO 38 Cb 0.37 -1.50 -0.11 0.00 -0.02 0.00 0.00 33.50 32.25 1qxn n PRO 38 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1qxn n ASP 39 N -1.14 0.32 -4.59 2.55 2.03 -1.26 -4.77 116.55 109.69 1qxn n ASP 39 Ca 0.01 0.01 -0.43 0.00 0.52 0.00 0.00 54.79 54.90 1qxn n ASP 39 Cb 0.01 1.45 -0.02 0.00 -0.72 0.00 0.00 41.12 41.83 1qxn n ASP 39 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1qxn s ILE 40 N -3.42 3.98 -0.03 5.18 1.01 -0.03 -4.27 121.20 123.62 1qxn s ILE 40 Ca -0.04 0.95 -0.03 0.00 0.00 0.00 0.00 60.65 61.53 1qxn s ILE 40 Cb 0.13 -4.43 -0.04 0.00 0.01 0.00 0.00 42.46 38.13 1qxn s ILE 40 CO 0.87 -0.98 0.17 -0.89 0.00 0.00 0.00 174.94 174.10 1qxn s THR 41 N 5.24 5.39 -0.19 2.92 2.01 -0.27 -4.65 115.64 126.10 1qxn s THR 41 Ca 0.54 -0.12 -0.07 0.00 0.31 0.00 0.00 61.69 62.34 1qxn s THR 41 Cb -0.10 -3.49 -0.04 0.00 0.01 0.00 0.00 72.50 68.87 1qxn s THR 41 CO 0.30 0.37 0.06 -0.22 -0.69 0.00 0.00 174.62 174.44 1qxn s LEU 42 N -1.79 3.79 -0.20 4.42 2.96 -0.55 -1.51 118.68 125.80 1qxn s LEU 42 Ca 0.25 0.06 -0.03 0.00 -0.22 0.00 0.00 54.13 54.19 1qxn s LEU 42 Cb -0.12 -1.96 -0.01 0.00 0.50 0.00 0.00 46.19 44.60 1qxn s LEU 42 CO 0.16 0.16 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.66 1qxn s ILE 43 N 0.46 3.25 -0.10 6.68 1.09 0.28 -1.73 121.20 131.13 1qxn s ILE 43 Ca 0.03 -0.54 -0.09 0.00 -1.10 0.00 0.00 60.65 58.95 1qxn s ILE 43 Cb -0.13 -2.46 -0.04 0.00 -1.06 0.00 0.00 42.46 38.77 1qxn s ILE 43 CO 0.01 0.45 0.20 -0.62 -0.10 0.00 0.00 174.94 174.88 1qxn s ASP 44 N 1.29 6.47 -0.40 3.58 2.15 -1.05 -1.00 116.67 127.71 1qxn s ASP 44 Ca 0.03 0.56 0.03 0.00 0.43 0.00 0.00 52.55 53.60 1qxn s ASP 44 Cb -0.14 -2.12 0.11 0.00 -0.30 0.00 0.00 42.92 40.48 1qxn s ASP 44 CO -0.03 0.36 0.15 0.68 -0.17 0.00 0.00 175.17 176.17 1qxn s VAL 45 N -0.88 1.95 0.17 1.11 -7.23 -0.71 -2.63 120.40 112.17 1qxn s VAL 45 Ca 0.16 -2.49 -0.14 0.00 -1.81 0.00 0.00 61.98 57.71 1qxn s VAL 45 Cb -0.13 -2.40 0.02 0.00 0.56 0.00 0.00 36.38 34.42 1qxn s VAL 45 CO 0.06 -0.72 0.41 -0.60 -0.31 0.00 0.00 175.10 173.93 1qxn s ARG 46 N 0.59 1.23 0.10 4.82 6.06 -1.26 -4.72 118.95 125.77 1qxn s ARG 46 Ca 0.14 -0.94 -0.21 0.00 -2.50 0.00 0.00 55.73 52.21 1qxn s ARG 46 Cb -0.22 0.46 -0.07 0.00 0.06 0.00 0.00 34.95 35.18 1qxn s ARG 46 CO -0.07 -0.49 0.64 -0.51 -2.50 0.00 0.00 175.30 172.37 1qxn s ASP 47 N -2.89 7.18 0.60 -2.12 1.01 -1.26 -4.86 116.67 114.33 1qxn s ASP 47 Ca 0.10 1.39 0.40 0.00 0.71 0.00 0.00 52.55 55.16 1qxn s ASP 47 Cb 0.01 -2.41 2.09 0.00 1.01 0.00 0.00 42.92 43.62 1qxn s ASP 47 CO -0.04 0.25 2.22 1.55 0.21 0.00 0.00 175.17 179.36 1qxn h PRO 48 N 4.48 0.00 0.05 8.23 0.13 -1.98 -2.42 132.00 140.48 1qxn h PRO 48 Ca -0.49 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.37 1qxn h PRO 48 Cb 1.21 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.36 1qxn h PRO 48 CO 0.64 0.00 -1.11 -0.44 -0.23 0.00 0.00 178.00 176.86 1qxn h ASP 49 N 0.00 0.84 0.03 1.44 3.32 -1.99 -1.20 116.42 118.86 1qxn h ASP 49 Ca 0.00 -0.71 -0.20 0.00 0.02 0.00 0.00 57.03 56.14 1qxn h ASP 49 Cb 0.10 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.39 1qxn h ASP 49 CO 0.00 1.52 -0.73 -0.08 -1.72 0.00 0.00 179.24 178.22 1qxn h GLU 50 N 0.32 0.62 -0.44 3.56 4.81 -1.92 -2.43 114.58 119.09 1qxn h GLU 50 Ca -0.14 -0.49 0.01 0.00 -0.13 0.00 0.00 59.36 58.61 1qxn h GLU 50 Cb 1.77 0.10 -0.03 0.00 0.63 0.00 0.00 28.75 31.22 1qxn h GLU 50 CO 0.21 1.11 0.27 1.25 -0.73 0.00 0.00 179.01 181.12 1qxn h LEU 51 N 0.43 0.45 -0.93 1.64 5.85 -1.46 0.75 115.31 122.05 1qxn h LEU 51 Ca -0.04 -0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.59 1qxn h LEU 51 Cb 1.33 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.24 1qxn h LEU 51 CO 0.14 0.33 -0.17 0.11 -0.34 0.00 0.00 178.44 178.50 1qxn h LYS 52 N 0.55 0.59 0.04 1.25 6.56 -1.18 -1.22 116.57 123.17 1qxn h LYS 52 Ca 0.17 -0.20 -0.07 0.00 -1.06 0.00 0.00 60.65 59.49 1qxn h LYS 52 Cb -0.02 -0.05 0.00 0.00 -0.57 0.00 0.00 32.23 31.60 1qxn h LYS 52 CO -0.06 0.74 -0.32 0.00 -2.06 0.00 0.00 179.45 177.74 1qxn h ALA 53 N 1.28 0.00 0.07 3.86 0.00 -1.05 -3.41 119.26 120.01 1qxn h ALA 53 Ca 0.09 -0.61 -0.35 0.00 0.00 0.00 0.00 54.91 54.03 1qxn h ALA 53 Cb 0.60 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 1qxn h ALA 53 CO 0.04 0.16 -2.04 -1.33 0.00 0.00 0.00 179.25 176.09 1qxn n MET 54 N -4.46 0.71 0.00 0.00 2.81 0.22 -4.92 117.12 111.47 1qxn n MET 54 Ca -0.13 0.23 0.00 0.00 -1.81 0.00 0.00 57.70 55.99 1qxn n MET 54 Cb 0.59 -1.68 0.00 0.00 -0.71 0.00 0.00 33.22 31.41 1qxn n MET 54 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1qxn n GLY 55 N 1.91 2.18 3.39 3.03 0.00 -0.46 -4.87 105.19 110.37 1qxn n GLY 55 Ca -0.31 -2.08 -0.10 0.00 0.00 0.00 0.00 46.02 43.54 1qxn n GLY 55 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qxn s LYS 56 N -1.68 1.23 0.05 1.61 -2.85 -0.94 -4.66 119.74 112.50 1qxn s LYS 56 Ca 0.00 -1.14 -0.30 0.00 -1.00 0.00 0.00 55.97 53.52 1qxn s LYS 56 Cb 0.00 0.41 -0.08 0.00 -2.06 0.00 0.00 37.83 36.09 1qxn s LYS 56 CO 0.00 -0.47 1.72 -1.25 0.10 0.00 0.00 175.35 175.46 1qxn s PRO 57 N -3.96 4.18 -1.19 1.78 0.04 -1.26 0.14 135.00 134.73 1qxn s PRO 57 Ca 0.17 2.39 -0.08 0.00 0.04 0.00 0.00 61.00 63.52 1qxn s PRO 57 Cb 0.02 -3.73 0.23 0.00 0.04 0.00 0.00 34.50 31.06 1qxn s PRO 57 CO 0.01 -0.80 1.63 -3.47 0.04 0.00 0.00 177.00 174.40 1qxn n ASP 58 N 6.11 5.63 -4.76 6.66 2.03 0.28 -4.62 116.55 127.88 1qxn n ASP 58 Ca 0.17 -3.20 -0.28 0.00 0.52 0.00 0.00 54.79 52.00 1qxn n ASP 58 Cb 0.41 -1.40 -0.07 0.00 -0.72 0.00 0.00 41.12 39.33 1qxn n ASP 58 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1qxn s VAL 59 N -0.79 1.76 -0.18 5.18 -7.23 -1.26 -4.72 120.40 113.15 1qxn s VAL 59 Ca 0.36 -1.80 0.17 0.00 -1.81 0.00 0.00 61.98 58.90 1qxn s VAL 59 Cb 0.05 -2.56 0.04 0.00 0.56 0.00 0.00 36.38 34.47 1qxn s VAL 59 CO 0.03 0.00 1.27 0.11 -0.31 0.00 0.00 175.10 176.21 1qxn h LYS 60 N 1.32 0.00 -2.16 4.82 6.56 -1.94 -3.39 116.57 121.77 1qxn h LYS 60 Ca -0.42 0.00 -0.58 0.00 -1.06 0.00 0.00 60.65 58.59 1qxn h LYS 60 Cb 1.28 0.00 -0.41 0.00 -0.57 0.00 0.00 32.23 32.53 1qxn h LYS 60 CO 0.70 0.36 -0.75 0.27 -2.06 0.00 0.00 179.45 177.97 1qxn n ASN 61 N -3.08 3.05 -4.02 0.86 0.23 -1.26 -5.05 115.26 105.99 1qxn n ASN 61 Ca -0.01 -3.34 -0.19 0.00 -0.53 0.00 0.00 54.58 50.52 1qxn n ASN 61 Cb 0.72 -0.63 -0.15 0.00 -2.08 0.00 0.00 39.78 37.64 1qxn n ASN 61 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 1qxn s TYR 62 N -2.51 0.84 -0.02 -2.53 5.04 -1.26 -1.48 117.35 115.43 1qxn s TYR 62 Ca 0.41 -0.17 0.01 0.00 -2.44 0.00 0.00 57.07 54.89 1qxn s TYR 62 Cb 0.21 -0.56 0.01 0.00 0.35 0.00 0.00 41.96 41.97 1qxn s TYR 62 CO -0.07 -0.03 -0.05 0.15 -1.34 0.00 0.00 175.55 174.21 1qxn s LYS 63 N -0.13 0.57 -0.34 4.97 1.02 -0.70 -4.98 119.74 120.15 1qxn s LYS 63 Ca 0.02 -0.15 -0.18 0.00 0.02 0.00 0.00 55.97 55.68 1qxn s LYS 63 Cb -0.05 -0.58 -0.01 0.00 -0.52 0.00 0.00 37.83 36.68 1qxn s LYS 63 CO -0.00 0.04 0.53 -1.58 -0.92 0.00 0.00 175.35 173.41 1qxn s HIS 64 N 0.31 3.19 0.44 3.18 5.65 -1.26 -2.53 115.29 124.27 1qxn s HIS 64 Ca -0.04 0.26 0.08 0.00 0.25 0.00 0.00 55.06 55.62 1qxn s HIS 64 Cb -0.07 -2.92 0.02 0.00 -1.18 0.00 0.00 32.58 28.43 1qxn s HIS 64 CO -0.00 -0.51 0.59 -1.64 -0.65 0.00 0.00 174.74 172.53 1qxn s MET 65 N 2.42 2.74 0.96 2.88 -1.94 -1.08 -4.99 119.30 120.29 1qxn s MET 65 Ca 0.20 -1.32 -0.13 0.00 -1.71 0.00 0.00 55.69 52.73 1qxn s MET 65 Cb -0.15 -2.72 0.16 0.00 2.01 0.00 0.00 34.83 34.13 1qxn s MET 65 CO 0.13 -0.35 1.13 -1.12 -0.01 0.00 0.00 175.02 174.80 1qxn s SER 66 N -4.38 3.06 -0.21 3.03 0.01 -1.26 -4.59 113.70 109.36 1qxn s SER 66 Ca 0.55 0.99 -0.11 0.00 1.31 0.00 0.00 55.95 58.70 1qxn s SER 66 Cb -0.09 -1.56 -0.19 0.00 0.21 0.00 0.00 66.02 64.39 1qxn s SER 66 CO 0.34 -2.83 0.05 0.54 0.41 0.00 0.00 173.24 171.74 1qxn n ARG 67 N -3.95 0.65 -0.12 12.44 3.00 -1.26 -3.96 116.66 123.45 1qxn n ARG 67 Ca 0.07 0.33 -0.21 0.00 -0.01 0.00 0.00 57.85 58.02 1qxn n ARG 67 Cb 0.59 -1.63 -0.10 0.00 0.00 0.00 0.00 32.46 31.32 1qxn n ARG 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1qxn n GLY 68 N 1.74 -0.36 1.73 -0.13 0.00 -1.26 -4.46 105.19 102.45 1qxn n GLY 68 Ca -0.40 -0.14 -0.14 0.00 0.00 0.00 0.00 46.02 45.35 1qxn n GLY 68 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1qxn n LYS 69 N -3.66 1.68 0.00 1.61 5.02 -1.26 -4.21 118.16 117.34 1qxn n LYS 69 Ca -0.45 -1.44 -0.05 0.00 -2.02 0.00 0.00 58.31 54.36 1qxn n LYS 69 Cb 0.88 -1.56 0.17 0.00 -0.02 0.00 0.00 35.03 34.49 1qxn n LYS 69 CO 0.00 0.00 0.00 1.37 -0.52 0.00 0.00 177.40 178.25 1qxn h LEU 70 N 1.83 0.53 -0.55 -0.35 -0.00 -1.78 -3.28 115.31 111.71 1qxn h LEU 70 Ca 0.28 -0.20 0.08 0.00 -0.00 0.00 0.00 57.88 58.04 1qxn h LEU 70 Cb 1.35 -0.15 -0.10 0.00 -0.00 0.00 0.00 40.66 41.76 1qxn h LEU 70 CO 0.63 0.80 -0.47 1.05 -0.00 0.00 0.00 178.44 180.45 1qxn h GLU 71 N 0.45 -0.25 0.00 0.17 -0.00 -1.91 0.36 114.58 113.40 1qxn h GLU 71 Ca 0.06 0.02 0.00 0.00 -0.00 0.00 0.00 59.36 59.44 1qxn h GLU 71 Cb 0.74 0.06 0.00 0.00 -0.00 0.00 0.00 28.75 29.55 1qxn h GLU 71 CO 0.06 -0.17 0.00 -1.00 -0.00 0.00 0.00 179.01 177.90 1qxn h PRO 72 N -0.26 0.00 0.00 1.06 0.13 -1.94 -2.52 132.00 128.47 1qxn h PRO 72 Ca 0.15 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.23 1qxn h PRO 72 Cb 0.56 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.69 1qxn h PRO 72 CO -0.68 0.00 -0.35 -0.07 -0.23 0.00 0.00 178.00 176.67 1qxn h LEU 73 N 0.00 0.00 0.21 1.56 -0.00 -0.93 -3.19 115.31 112.97 1qxn h LEU 73 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1qxn h LEU 73 Cb 0.54 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.19 1qxn h LEU 73 CO 0.00 0.23 -0.17 0.25 -0.00 0.00 0.00 178.44 178.75 1qxn h LEU 74 N 0.00 -0.45 -1.58 1.67 5.85 0.06 0.34 115.31 121.20 1qxn h LEU 74 Ca -0.01 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.70 1qxn h LEU 74 Cb 1.19 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.36 1qxn h LEU 74 CO 0.03 -0.27 -0.22 0.00 -0.34 0.00 0.00 178.44 177.64 1qxn h ALA 75 N 0.36 1.37 0.00 1.25 0.00 -1.66 -2.47 119.26 118.11 1qxn h ALA 75 Ca -0.01 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 1qxn h ALA 75 Cb 0.36 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1qxn h ALA 75 CO -0.02 0.28 -0.34 0.87 0.00 0.00 0.00 179.25 180.04 1qxn h LYS 76 N 0.00 0.00 0.14 0.00 1.79 -1.40 -3.30 116.57 113.80 1qxn h LYS 76 Ca -0.00 0.00 -0.28 0.00 -2.18 0.00 0.00 60.65 58.19 1qxn h LYS 76 Cb 0.47 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.13 1qxn h LYS 76 CO 0.03 0.24 -1.25 0.77 -1.08 0.00 0.00 179.45 178.16 1qxn h SER 77 N 0.00 0.50 -0.87 0.86 0.02 -0.48 -3.49 113.55 110.09 1qxn h SER 77 Ca -0.01 -0.52 0.00 0.00 -0.84 0.00 0.00 61.79 60.42 1qxn h SER 77 Cb 1.20 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.58 1qxn h SER 77 CO 0.03 1.40 0.00 0.61 -1.14 0.00 0.00 176.83 177.73 1qxn n GLY 78 N 1.50 0.77 3.54 -3.77 0.00 -1.11 -5.10 105.19 101.02 1qxn n GLY 78 Ca -0.10 -0.64 -0.34 0.00 0.00 0.00 0.00 46.02 44.95 1qxn n GLY 78 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qxn s LEU 79 N -0.77 3.15 -0.03 0.99 1.43 -1.25 -5.11 118.68 117.08 1qxn s LEU 79 Ca 0.00 -0.07 0.07 0.00 -1.03 0.00 0.00 54.13 53.09 1qxn s LEU 79 Cb 0.00 -1.70 -0.02 0.00 0.03 0.00 0.00 46.19 44.50 1qxn s LEU 79 CO 0.00 0.30 -0.24 -0.62 0.23 0.00 0.00 176.35 176.02 1qxn s ASP 80 N -0.42 2.82 0.00 2.29 2.15 -1.26 -4.99 116.67 117.25 1qxn s ASP 80 Ca 0.06 -0.44 0.03 0.00 0.43 0.00 0.00 52.55 52.63 1qxn s ASP 80 Cb -0.12 -0.43 0.16 0.00 -0.30 0.00 0.00 42.92 42.23 1qxn s ASP 80 CO 0.02 0.28 0.59 -0.81 -0.17 0.00 0.00 175.17 175.08 1qxn n PRO 81 N 2.62 0.43 -0.01 4.34 -0.04 -1.26 -1.77 135.00 139.30 1qxn n PRO 81 Ca -0.16 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.39 1qxn n PRO 81 Cb 0.52 -1.10 -0.14 0.00 -0.04 0.00 0.00 33.50 32.74 1qxn n PRO 81 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1qxn n GLU 82 N -0.60 0.64 -3.37 0.54 -0.58 -1.26 -1.25 120.64 114.76 1qxn n GLU 82 Ca 0.02 -0.13 -0.38 0.00 -0.42 0.00 0.00 57.16 56.25 1qxn n GLU 82 Cb 0.01 -1.44 -0.07 0.00 -0.57 0.00 0.00 31.44 29.37 1qxn n GLU 82 CO 0.00 0.00 0.00 -1.59 -0.48 0.00 0.00 177.13 175.06 1qxn s LYS 83 N -3.20 4.21 0.44 3.49 -2.85 -0.73 -4.70 119.74 116.39 1qxn s LYS 83 Ca -0.03 0.26 -0.25 0.00 -1.00 0.00 0.00 55.97 54.95 1qxn s LYS 83 Cb 0.13 -3.52 -0.08 0.00 -2.06 0.00 0.00 37.83 32.30 1qxn s LYS 83 CO 0.80 -0.01 1.30 -2.14 0.10 0.00 0.00 175.35 175.40 1qxn s PRO 84 N 1.19 3.81 0.03 1.78 0.02 -1.26 -4.61 135.00 135.96 1qxn s PRO 84 Ca 0.21 2.12 0.01 0.00 0.02 0.00 0.00 61.00 63.36 1qxn s PRO 84 Cb -0.15 -2.63 -0.02 0.00 0.02 0.00 0.00 34.50 31.72 1qxn s PRO 84 CO 0.08 -0.62 -0.06 0.14 -0.33 0.00 0.00 177.00 176.22 1qxn s VAL 85 N -1.31 0.35 0.02 3.83 -7.23 0.50 -1.11 120.40 115.45 1qxn s VAL 85 Ca 0.60 -0.98 0.06 0.00 -1.81 0.00 0.00 61.98 59.86 1qxn s VAL 85 Cb -0.37 -0.45 -0.02 0.00 0.56 0.00 0.00 36.38 36.10 1qxn s VAL 85 CO 0.47 -0.42 -0.19 0.54 -0.31 0.00 0.00 175.10 175.19 1qxn s VAL 86 N -1.37 1.51 -0.15 1.32 0.11 -0.57 -0.81 120.40 120.45 1qxn s VAL 86 Ca -0.12 -1.00 -0.06 0.00 -2.93 0.00 0.00 61.98 57.86 1qxn s VAL 86 Cb -0.10 -1.30 -0.04 0.00 -1.53 0.00 0.00 36.38 33.42 1qxn s VAL 86 CO -0.00 0.27 0.07 0.68 -3.33 0.00 0.00 175.10 172.79 1qxn s VAL 87 N -0.65 4.87 0.00 2.04 -7.23 0.66 -0.56 120.40 119.54 1qxn s VAL 87 Ca 0.07 -0.02 0.08 0.00 -1.81 0.00 0.00 61.98 60.30 1qxn s VAL 87 Cb -0.08 -3.15 -0.02 0.00 0.56 0.00 0.00 36.38 33.68 1qxn s VAL 87 CO 0.01 0.52 -0.26 0.12 -0.31 0.00 0.00 175.10 175.18 1qxn s PHE 88 N -0.18 2.31 0.00 2.82 5.36 -0.17 -2.65 117.98 125.47 1qxn s PHE 88 Ca 0.08 -0.43 0.00 0.00 -0.96 0.00 0.00 56.93 55.62 1qxn s PHE 88 Cb -0.12 -1.45 0.00 0.00 -0.34 0.00 0.00 43.02 41.11 1qxn s PHE 88 CO 0.01 0.02 0.00 0.00 -1.46 0.00 0.00 175.22 173.79 1qxn n LYS 90 N -1.04 0.25 -1.16 0.00 0.00 -1.26 -0.94 118.16 114.01 1qxn n LYS 90 Ca 0.00 -0.65 -0.36 0.00 0.00 0.00 0.00 58.31 57.30 1qxn n LYS 90 Cb 0.00 0.93 -0.03 0.00 0.00 0.00 0.00 35.03 35.93 1qxn n LYS 90 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1qxn n THR 91 N -0.45 2.68 -3.97 3.15 -2.24 -0.95 -4.59 114.28 107.91 1qxn n THR 91 Ca 0.00 -1.96 -0.11 0.00 -2.27 0.00 0.00 64.05 59.71 1qxn n THR 91 Cb 0.32 -2.36 -0.02 0.00 -2.10 0.00 0.00 70.33 66.17 1qxn n THR 91 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qxn s ALA 92 N 3.76 0.01 0.06 6.98 0.00 -1.26 -5.05 121.76 126.26 1qxn s ALA 92 Ca 0.51 -1.10 0.19 0.00 0.00 0.00 0.00 51.96 51.57 1qxn s ALA 92 Cb 0.14 0.98 0.58 0.00 0.00 0.00 0.00 23.12 24.81 1qxn s ALA 92 CO 0.01 -0.88 1.68 0.00 0.00 0.00 0.00 175.76 176.57 1qxn h ALA 93 N 2.10 0.91 -0.79 0.00 0.00 -1.87 -3.37 119.26 116.24 1qxn h ALA 93 Ca -0.29 -0.33 0.15 0.00 0.00 0.00 0.00 54.91 54.45 1qxn h ALA 93 Cb 1.25 -0.06 -0.15 0.00 0.00 0.00 0.00 17.79 18.83 1qxn h ALA 93 CO 0.38 0.45 -0.24 -0.09 0.00 0.00 0.00 179.25 179.75 1qxn h ARG 94 N 0.00 -0.02 -0.06 0.00 2.43 -1.96 0.11 114.38 114.88 1qxn h ARG 94 Ca -0.00 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.07 1qxn h ARG 94 Cb 0.99 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.53 1qxn h ARG 94 CO 0.05 -0.02 -0.42 0.00 -1.51 0.00 0.00 179.97 178.07 1qxn h ALA 95 N 1.65 1.20 0.00 2.80 0.00 -1.89 -3.00 119.26 120.02 1qxn h ALA 95 Ca 0.36 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1qxn h ALA 95 Cb 0.59 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1qxn h ALA 95 CO -0.82 0.56 -0.04 0.00 0.00 0.00 0.00 179.25 178.95 1qxn h ALA 96 N 1.47 1.79 -0.63 0.00 0.00 -0.99 -2.05 119.26 118.85 1qxn h ALA 96 Ca 0.01 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 1qxn h ALA 96 Cb 0.79 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 1qxn h ALA 96 CO 0.06 0.05 0.11 -0.07 0.00 0.00 0.00 179.25 179.40 1qxn h LEU 97 N 0.00 0.97 -0.02 0.00 -0.00 -1.34 0.12 115.31 115.04 1qxn h LEU 97 Ca -0.00 -0.21 -0.08 0.00 -0.00 0.00 0.00 57.88 57.58 1qxn h LEU 97 Cb 0.08 -0.26 0.01 0.00 -0.00 0.00 0.00 40.66 40.49 1qxn h LEU 97 CO 0.01 0.96 -0.30 0.00 -0.00 0.00 0.00 178.44 179.10 1qxn h ALA 98 N 1.16 0.06 0.41 1.53 0.00 -1.59 -3.15 119.26 117.68 1qxn h ALA 98 Ca 0.20 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1qxn h ALA 98 Cb 0.40 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1qxn h ALA 98 CO 0.01 0.14 -0.20 0.78 0.00 0.00 0.00 179.25 179.98 1qxn h GLY 99 N -0.35 -0.57 1.72 0.00 0.00 -1.27 -1.69 103.07 100.90 1qxn h GLY 99 Ca -0.03 0.21 -0.02 0.00 0.00 0.00 0.00 47.33 47.49 1qxn h GLY 99 CO 0.06 -0.21 0.07 0.07 0.00 0.00 0.00 176.54 176.53 1qxn h LYS 100 N -0.82 0.36 -0.17 4.80 5.09 -0.92 -0.86 116.57 124.05 1qxn h LYS 100 Ca -0.06 -0.05 -0.21 0.00 0.09 0.00 0.00 60.65 60.43 1qxn h LYS 100 Cb 0.54 -0.07 0.00 0.00 0.10 0.00 0.00 32.23 32.81 1qxn h LYS 100 CO 0.09 0.33 -0.71 1.15 -2.09 0.00 0.00 179.45 178.22 1qxn h THR 101 N 0.36 1.30 -0.35 0.07 2.02 -1.57 -2.67 112.91 112.06 1qxn h THR 101 Ca 0.09 -1.94 -0.03 0.00 0.77 0.00 0.00 66.41 65.29 1qxn h THR 101 Cb 0.13 1.92 -0.01 0.00 -1.74 0.00 0.00 68.15 68.45 1qxn h THR 101 CO -0.00 0.61 0.10 -0.07 0.37 0.00 0.00 175.52 176.53 1qxn h LEU 102 N 0.51 0.53 -1.68 2.58 3.38 -0.52 -2.48 115.31 117.63 1qxn h LEU 102 Ca -0.03 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.68 1qxn h LEU 102 Cb 1.32 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 1qxn h LEU 102 CO 0.14 0.61 -0.19 0.08 0.09 0.00 0.00 178.44 179.17 1qxn h ARG 103 N 0.42 0.00 0.00 1.13 -0.00 -1.23 -0.77 114.38 113.93 1qxn h ARG 103 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.09 1qxn h ARG 103 Cb 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.25 1qxn h ARG 103 CO -0.00 0.19 0.00 0.39 -0.00 0.00 0.00 179.97 180.55 1qxn n GLU 104 N -3.94 0.18 0.00 0.08 -0.58 -0.94 -1.41 120.64 114.02 1qxn n GLU 104 Ca -0.02 0.15 0.09 0.00 -0.42 0.00 0.00 57.16 56.95 1qxn n GLU 104 Cb 0.28 -1.50 -0.02 0.00 -0.57 0.00 0.00 31.44 29.63 1qxn n GLU 104 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1qxn n TYR 105 N -1.34 0.00 0.00 -0.32 4.01 -0.30 -4.97 117.16 114.25 1qxn n TYR 105 Ca 0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.81 1qxn n TYR 105 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.18 1qxn n TYR 105 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1qxn n GLY 106 N 1.24 1.54 3.75 2.72 0.00 -0.50 -5.05 105.19 108.88 1qxn n GLY 106 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 1qxn n GLY 106 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1qxn s PHE 107 N -2.00 3.84 0.07 1.61 0.40 -1.22 -4.74 117.98 115.94 1qxn s PHE 107 Ca 0.00 1.83 -0.34 0.00 -0.60 0.00 0.00 56.93 57.82 1qxn s PHE 107 Cb 0.00 -3.08 -0.18 0.00 0.51 0.00 0.00 43.02 40.27 1qxn s PHE 107 CO 0.00 0.11 1.52 0.87 0.70 0.00 0.00 175.22 178.41 1qxn h LYS 108 N 4.25 -1.05 -3.38 0.44 1.57 -1.43 -3.44 116.57 113.53 1qxn h LYS 108 Ca -0.45 0.07 -0.38 0.00 -1.87 0.00 0.00 60.65 58.02 1qxn h LYS 108 Cb 1.20 0.24 -0.39 0.00 0.08 0.00 0.00 32.23 33.36 1qxn h LYS 108 CO 0.68 -0.70 -0.74 0.99 -0.57 0.00 0.00 179.45 179.11 1qxn s THR 109 N -5.68 -0.03 -0.12 -0.16 2.01 -1.26 -5.01 115.64 105.40 1qxn s THR 109 Ca -0.17 0.38 0.03 0.00 0.31 0.00 0.00 61.69 62.23 1qxn s THR 109 Cb 0.03 -0.22 0.01 0.00 0.01 0.00 0.00 72.50 72.33 1qxn s THR 109 CO 0.55 0.19 -0.21 -0.51 -0.69 0.00 0.00 174.62 173.95 1qxn s ILE 110 N 2.13 1.91 0.06 1.82 2.07 -1.26 -0.37 121.20 127.57 1qxn s ILE 110 Ca 0.05 -0.91 0.09 0.00 -1.41 0.00 0.00 60.65 58.47 1qxn s ILE 110 Cb -0.12 -1.69 -0.03 0.00 0.13 0.00 0.00 42.46 40.75 1qxn s ILE 110 CO -0.03 0.52 -0.23 -0.31 -1.91 0.00 0.00 174.94 172.98 1qxn s TYR 111 N 0.66 2.41 0.02 3.50 1.51 0.01 -2.99 117.35 122.47 1qxn s TYR 111 Ca -0.12 -0.35 0.07 0.00 -1.01 0.00 0.00 57.07 55.67 1qxn s TYR 111 Cb -0.16 -1.39 -0.03 0.00 -0.11 0.00 0.00 41.96 40.27 1qxn s TYR 111 CO 0.02 0.21 -0.20 1.21 -1.11 0.00 0.00 175.55 175.69 1qxn s ASN 112 N -1.48 3.61 -0.34 2.29 3.84 0.09 -0.24 114.94 122.71 1qxn s ASN 112 Ca 0.13 -0.43 -0.15 0.00 0.21 0.00 0.00 52.86 52.63 1qxn s ASN 112 Cb -0.10 -0.55 -0.01 0.00 -0.55 0.00 0.00 41.25 40.04 1qxn s ASN 112 CO 0.04 0.28 0.36 -0.44 -2.79 0.00 0.00 177.10 174.55 1qxn s SER 113 N -1.17 6.18 0.00 -4.21 0.01 -1.08 -0.19 113.70 113.24 1qxn s SER 113 Ca 0.13 -0.22 0.00 0.00 1.31 0.00 0.00 55.95 57.17 1qxn s SER 113 Cb -0.10 -2.19 0.00 0.00 0.21 0.00 0.00 66.02 63.93 1qxn s SER 113 CO 0.03 -0.33 1.14 -0.62 0.41 0.00 0.00 173.24 173.87 1qxn n GLU 114 N 5.37 0.82 0.00 12.44 -0.58 -0.99 -4.16 120.64 133.53 1qxn n GLU 114 Ca -0.09 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.65 1qxn n GLU 114 Cb 0.49 -1.09 0.00 0.00 -0.57 0.00 0.00 31.44 30.27 1qxn n GLU 114 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1qxn n GLY 115 N 0.99 -0.11 0.00 0.62 0.00 -1.26 -4.77 105.19 100.66 1qxn n GLY 115 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1qxn n GLY 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qxn n GLY 116 N 1.10 0.92 0.37 -0.02 0.00 -1.26 -2.24 105.19 104.06 1qxn n GLY 116 Ca 0.00 -2.25 0.11 0.00 0.00 0.00 0.00 46.02 43.88 1qxn n GLY 116 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1qxn h MET 117 N 0.00 0.77 -0.85 1.61 4.05 -1.41 0.61 114.93 119.71 1qxn h MET 117 Ca 0.00 -0.05 0.04 0.00 -0.28 0.00 0.00 59.70 59.41 1qxn h MET 117 Cb 0.00 -0.17 -0.05 0.00 -0.80 0.00 0.00 31.60 30.57 1qxn h MET 117 CO 0.00 0.51 0.55 0.22 0.23 0.00 0.00 176.91 178.42 1qxn h ASP 118 N 0.79 0.90 0.47 1.39 3.58 -1.85 -1.55 116.42 120.16 1qxn h ASP 118 Ca 0.49 -0.00 -0.17 0.00 0.42 0.00 0.00 57.03 57.77 1qxn h ASP 118 Cb 0.70 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.54 1qxn h ASP 118 CO -0.26 0.62 -0.72 0.11 -2.88 0.00 0.00 179.24 176.11 1qxn h LYS 119 N 1.06 0.21 0.35 0.28 6.56 -1.20 -1.56 116.57 122.28 1qxn h LYS 119 Ca 0.35 -0.18 -0.02 0.00 -1.06 0.00 0.00 60.65 59.74 1qxn h LYS 119 Cb 0.03 0.04 0.00 0.00 -0.57 0.00 0.00 32.23 31.73 1qxn h LYS 119 CO -0.12 0.85 -0.17 2.35 -2.06 0.00 0.00 179.45 180.29 1qxn h TRP 120 N 0.14 -0.44 -0.61 -1.35 2.91 -0.30 0.29 115.95 116.59 1qxn h TRP 120 Ca -0.02 -0.01 -0.04 0.00 1.13 0.00 0.00 58.89 59.94 1qxn h TRP 120 Cb 1.28 0.15 -0.03 0.00 -0.51 0.00 0.00 29.16 30.05 1qxn h TRP 120 CO 0.02 -0.24 0.21 -0.07 -1.03 0.00 0.00 178.44 177.34 1qxn h LEU 121 N -0.53 0.86 -0.57 0.65 3.38 -1.35 -2.73 115.31 115.03 1qxn h LEU 121 Ca -0.05 -0.19 -0.07 0.00 0.09 0.00 0.00 57.88 57.66 1qxn h LEU 121 Cb 0.40 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1qxn h LEU 121 CO 0.08 0.82 0.07 -0.08 0.09 0.00 0.00 178.44 179.43 1qxn h GLU 122 N 0.86 0.95 0.00 1.13 4.81 -1.11 -2.79 114.58 118.43 1qxn h GLU 122 Ca 0.20 -0.27 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 1qxn h GLU 122 Cb 0.25 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.52 1qxn h GLU 122 CO -0.01 0.92 -0.04 1.49 -0.73 0.00 0.00 179.01 180.64 1qxn h GLU 123 N 0.84 0.00 0.00 1.92 4.57 -0.35 -3.46 114.58 118.11 1qxn h GLU 123 Ca 0.17 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.35 1qxn h GLU 123 Cb 0.44 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.03 1qxn h GLU 123 CO 0.01 0.04 0.00 0.41 -1.18 0.00 0.00 179.01 178.30 1qxn n GLY 124 N -0.33 0.80 3.83 1.92 0.00 -1.05 -5.07 105.19 105.28 1qxn n GLY 124 Ca -0.01 -0.50 -0.31 0.00 0.00 0.00 0.00 46.02 45.20 1qxn n GLY 124 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qxn s LEU 125 N 0.00 3.19 -0.23 0.99 1.43 -1.04 -4.92 118.68 118.10 1qxn s LEU 125 Ca 0.00 1.59 -0.34 0.00 -1.03 0.00 0.00 54.13 54.36 1qxn s LEU 125 Cb 0.00 -4.49 -0.10 0.00 0.03 0.00 0.00 46.19 41.62 1qxn s LEU 125 CO 0.00 -1.30 2.07 -0.81 0.23 0.00 0.00 176.35 176.54 1qxn n PRO 126 N -2.95 1.65 -4.45 1.29 -0.04 -1.26 -4.77 135.00 124.47 1qxn n PRO 126 Ca 0.07 0.53 -0.29 0.00 -0.04 0.00 0.00 63.50 63.76 1qxn n PRO 126 Cb 0.54 -2.67 -0.12 0.00 -0.04 0.00 0.00 33.50 31.20 1qxn n PRO 126 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1qxn s SER 127 N 6.23 3.59 -0.56 3.54 0.01 -1.26 -0.56 113.70 124.69 1qxn s SER 127 Ca 1.01 -0.62 -0.18 0.00 1.31 0.00 0.00 55.95 57.48 1qxn s SER 127 Cb -0.70 -0.40 0.11 0.00 0.21 0.00 0.00 66.02 65.23 1qxn s SER 127 CO 0.48 0.20 0.60 -0.76 0.41 0.00 0.00 173.24 174.17 1qxn s LEU 128 N -1.93 5.67 0.07 2.44 1.43 0.38 -4.58 118.68 122.17 1qxn s LEU 128 Ca 0.15 -1.52 -0.08 0.00 -1.03 0.00 0.00 54.13 51.65 1qxn s LEU 128 Cb -0.10 -2.27 -0.01 0.00 0.03 0.00 0.00 46.19 43.84 1qxn s LEU 128 CO 0.07 -0.97 0.16 1.51 0.23 0.00 0.00 176.35 177.35 1qxn s ASP 129 N 3.48 0.15 -1.32 2.29 -4.77 -1.26 -2.22 116.67 113.02 1qxn s ASP 129 Ca 0.08 -0.64 -0.15 0.00 -3.30 0.00 0.00 52.55 48.55 1qxn s ASP 129 Cb -0.26 0.31 -0.01 0.00 -1.09 0.00 0.00 42.92 41.87 1qxn s ASP 129 CO 0.05 -0.67 2.23 0.54 0.70 0.00 0.00 175.17 178.03 1qxn n ARG 130 N 0.13 2.64 -1.52 2.11 5.12 -1.26 -4.94 116.66 118.94 1qxn n ARG 130 Ca -0.16 -2.38 -0.32 0.00 -1.93 0.00 0.00 57.85 53.06 1qxn n ARG 130 Cb 0.61 -3.15 0.07 0.00 -1.16 0.00 0.00 32.46 28.83 1qxn n ARG 130 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 1qxn s SER 131 N 3.47 4.92 -1.51 0.55 0.01 -1.26 -4.88 113.70 115.00 1qxn s SER 131 Ca 0.51 1.84 -0.10 0.00 1.31 0.00 0.00 55.95 59.51 1qxn s SER 131 Cb 0.14 -2.53 -0.08 0.00 0.21 0.00 0.00 66.02 63.77 1qxn s SER 131 CO -0.04 -1.75 2.80 1.57 0.41 0.00 0.00 173.24 176.22 1qxn n HIS 132 N -3.02 2.30 -4.29 2.43 -0.00 -1.26 -4.81 115.22 106.57 1qxn n HIS 132 Ca 0.09 -2.91 -0.21 0.00 0.46 0.00 0.00 57.72 55.15 1qxn n HIS 132 Cb 0.53 -2.37 -0.13 0.00 -0.12 0.00 0.00 29.99 27.90 1qxn n HIS 132 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 1qxn s HIS 133 N 2.42 1.41 -0.91 1.57 3.76 -1.26 -5.07 115.29 117.21 1qxn s HIS 133 Ca 0.64 -0.41 -0.24 0.00 -0.15 0.00 0.00 55.06 54.90 1qxn s HIS 133 Cb 0.17 -0.80 0.02 0.00 1.11 0.00 0.00 32.58 33.07 1qxn s HIS 133 CO -0.06 0.09 1.58 -1.01 -0.85 0.00 0.00 174.74 174.50 1qxn s HIS 134 N -1.08 2.23 -0.01 1.40 0.09 -1.26 -4.91 115.29 111.75 1qxn s HIS 134 Ca 0.02 -0.19 0.00 0.00 -0.00 0.00 0.00 55.06 54.89 1qxn s HIS 134 Cb -0.09 -4.47 0.01 0.00 -0.00 0.00 0.00 32.58 28.03 1qxn s HIS 134 CO 0.02 -1.95 0.01 -1.58 -0.00 0.00 0.00 174.74 171.24 1qxn s HIS 135 N 6.77 0.06 0.15 1.40 5.65 -1.26 -5.16 115.29 122.90 1qxn s HIS 135 Ca 0.52 0.03 0.01 0.00 0.25 0.00 0.00 55.06 55.87 1qxn s HIS 135 Cb -0.04 -0.12 -0.04 0.00 -1.18 0.00 0.00 32.58 31.20 1qxn s HIS 135 CO -0.01 -0.04 0.02 -3.38 -0.65 0.00 0.00 174.74 170.69 1qxn s HIS 136 N 0.37 1.06 -1.08 3.88 -3.43 -1.26 -5.12 115.29 109.72 1qxn s HIS 136 Ca -0.03 -1.11 0.09 0.00 -0.80 0.00 0.00 55.06 53.21 1qxn s HIS 136 Cb -0.05 -0.61 0.07 0.00 -1.43 0.00 0.00 32.58 30.56 1qxn s HIS 136 CO -0.01 -0.34 0.77 1.58 -2.00 0.00 0.00 174.74 174.74