#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qcx n GLY 0 N 0.00 -2.22 0.02 1.69 0.00 -1.26 -4.70 105.19 98.71 2qcx n GLY 0 Ca 0.00 -0.42 0.11 0.00 0.00 0.00 0.00 46.02 45.71 2qcx n GLY 0 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2qcx n MET 1 N 0.00 0.51 -3.54 1.61 0.00 -1.26 -4.89 117.12 109.56 2qcx n MET 1 Ca 0.00 -0.13 -0.37 0.00 0.00 0.00 0.00 57.70 57.19 2qcx n MET 1 Cb 0.00 -1.54 -0.06 0.00 0.00 0.00 0.00 33.22 31.62 2qcx n MET 1 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 2qcx s LYS 2 N -3.40 4.03 0.36 0.03 1.02 -1.26 -4.98 119.74 115.54 2qcx s LYS 2 Ca -0.04 0.24 0.06 0.00 0.02 0.00 0.00 55.97 56.26 2qcx s LYS 2 Cb 0.14 -3.31 0.70 0.00 -0.52 0.00 0.00 37.83 34.84 2qcx s LYS 2 CO 0.89 0.48 1.91 0.35 -0.92 0.00 0.00 175.35 178.06 2qcx h PHE 3 N 5.67 0.45 -0.63 3.18 -0.00 -1.91 -2.01 116.94 121.68 2qcx h PHE 3 Ca -0.47 -0.04 0.02 0.00 -0.00 0.00 0.00 57.97 57.49 2qcx h PHE 3 Cb 1.20 -0.13 -0.04 0.00 -0.00 0.00 0.00 35.95 36.98 2qcx h PHE 3 CO 0.67 0.45 0.39 0.66 -0.00 0.00 0.00 178.31 180.48 2qcx h SER 4 N 0.43 0.65 -0.50 0.41 4.64 -1.93 0.62 113.55 117.86 2qcx h SER 4 Ca 0.09 -0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.34 2qcx h SER 4 Cb 0.28 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.21 2qcx h SER 4 CO 0.01 0.45 0.04 -0.33 -0.87 0.00 0.00 176.83 176.13 2qcx h GLU 5 N 0.78 0.86 -0.58 4.77 4.39 -1.86 -0.54 114.58 122.39 2qcx h GLU 5 Ca 0.25 -0.25 0.01 0.00 0.34 0.00 0.00 59.36 59.71 2qcx h GLU 5 Cb 0.00 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.53 2qcx h GLU 5 CO -0.10 0.87 0.37 1.49 -1.16 0.00 0.00 179.01 180.49 2qcx h GLU 6 N 0.73 0.73 -0.37 2.33 4.81 -1.02 -0.65 114.58 121.14 2qcx h GLU 6 Ca 0.15 -0.04 -0.12 0.00 -0.13 0.00 0.00 59.36 59.22 2qcx h GLU 6 Cb 0.46 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 2qcx h GLU 6 CO 0.02 0.48 -0.24 0.00 -0.73 0.00 0.00 179.01 178.54 2qcx h ARG 8 N 0.65 1.02 -0.75 0.00 2.43 -0.81 -1.68 114.38 115.25 2qcx h ARG 8 Ca 0.09 -0.25 -0.05 0.00 -0.81 0.00 0.00 59.98 58.96 2qcx h ARG 8 Cb 0.75 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.13 2qcx h ARG 8 CO 0.06 0.92 0.25 0.77 -1.51 0.00 0.00 179.97 180.47 2qcx h SER 9 N 0.94 1.07 -0.21 -3.80 0.02 -1.01 -2.25 113.55 108.31 2qcx h SER 9 Ca 0.20 -0.19 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 2qcx h SER 9 Cb 0.36 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 2qcx h SER 9 CO 0.00 0.98 0.11 0.00 -1.14 0.00 0.00 176.83 176.78 2qcx h ALA 10 N 1.16 1.72 -0.57 3.77 0.00 -1.01 -2.39 119.26 121.94 2qcx h ALA 10 Ca 0.24 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2qcx h ALA 10 Cb 0.28 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2qcx h ALA 10 CO -0.01 0.23 0.00 0.00 0.00 0.00 0.00 179.25 179.47 2qcx n ALA 11 N -2.49 2.70 -0.27 0.00 0.00 -0.65 -4.66 120.51 115.14 2qcx n ALA 11 Ca 0.01 -1.18 0.07 0.00 0.00 0.00 0.00 53.44 52.33 2qcx n ALA 11 Cb 0.12 -0.99 0.21 0.00 0.00 0.00 0.00 19.45 18.79 2qcx n ALA 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qcx h ALA 12 N 4.00 1.13 -0.87 0.00 0.00 -0.87 -1.22 119.26 121.42 2qcx h ALA 12 Ca 0.00 0.13 0.23 0.00 0.00 0.00 0.00 54.91 55.26 2qcx h ALA 12 Cb 1.02 0.11 -0.14 0.00 0.00 0.00 0.00 17.79 18.79 2qcx h ALA 12 CO 0.10 -0.23 0.26 1.49 0.00 0.00 0.00 179.25 180.86 2qcx h GLU 13 N 0.43 0.24 0.00 0.00 4.81 -1.85 0.48 114.58 118.69 2qcx h GLU 13 Ca 0.44 -0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.56 2qcx h GLU 13 Cb 0.71 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.02 2qcx h GLU 13 CO -0.43 0.16 -1.37 0.91 -0.73 0.00 0.00 179.01 177.55 2qcx n TRP 14 N -5.19 0.85 -0.01 0.92 8.01 -0.51 -1.39 117.44 120.12 2qcx n TRP 14 Ca 0.21 0.27 -0.12 0.00 -1.31 0.00 0.00 57.50 56.55 2qcx n TRP 14 Cb 0.66 -0.99 -0.10 0.00 -2.01 0.00 0.00 31.31 28.88 2qcx n TRP 14 CO 0.00 0.00 0.00 -1.49 -1.01 0.00 0.00 177.69 175.19 2qcx h TRP 15 N 0.00 -0.07 -0.53 -5.99 4.06 -1.01 -2.53 115.95 109.89 2qcx h TRP 15 Ca -0.11 -0.00 -0.12 0.00 2.06 0.00 0.00 58.89 60.72 2qcx h TRP 15 Cb 1.35 0.02 -0.02 0.00 -1.00 0.00 0.00 29.16 29.52 2qcx h TRP 15 CO 0.00 0.55 -0.13 0.93 -3.56 0.00 0.00 178.44 176.23 2qcx h GLU 16 N -0.82 1.02 -1.00 0.49 5.08 -1.05 -2.48 114.58 115.83 2qcx h GLU 16 Ca -0.01 -0.39 0.14 0.00 -1.00 0.00 0.00 59.36 58.10 2qcx h GLU 16 Cb 0.65 -0.06 -0.09 0.00 0.50 0.00 0.00 28.75 29.75 2qcx h GLU 16 CO 0.01 1.08 0.62 0.78 -1.00 0.00 0.00 179.01 180.51 2qcx h GLY 17 N 0.89 1.64 1.00 -3.84 0.00 -1.35 -2.35 103.07 99.06 2qcx h GLY 17 Ca 0.13 -0.40 -0.00 0.00 0.00 0.00 0.00 47.33 47.06 2qcx h GLY 17 CO 0.05 0.11 0.36 1.76 0.00 0.00 0.00 176.54 178.82 2qcx h SER 18 N 0.92 0.73 0.01 0.19 0.02 -0.98 -2.15 113.55 112.29 2qcx h SER 18 Ca 0.51 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.39 2qcx h SER 18 Cb 0.59 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.95 2qcx h SER 18 CO -0.28 0.58 -0.01 -0.26 -1.14 0.00 0.00 176.83 175.71 2qcx h PHE 19 N 0.82 0.02 -0.26 3.45 0.05 -1.27 -2.50 116.94 117.26 2qcx h PHE 19 Ca 0.22 0.00 0.00 0.00 3.82 0.00 0.00 57.97 62.01 2qcx h PHE 19 Cb -0.02 -0.01 0.00 0.00 2.00 0.00 0.00 35.95 37.93 2qcx h PHE 19 CO -0.02 0.04 0.00 1.33 -0.18 0.00 0.00 178.31 179.48 2qcx n VAL 20 N -4.51 1.42 -2.30 -0.55 0.24 -1.15 -4.62 118.33 106.87 2qcx n VAL 20 Ca -0.03 -1.32 -0.41 0.00 -2.04 0.00 0.00 64.34 60.54 2qcx n VAL 20 Cb 0.11 0.24 -0.03 0.00 -1.47 0.00 0.00 33.84 32.69 2qcx n VAL 20 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 2qcx s HIS 21 N -1.63 3.34 0.51 6.34 5.04 -0.82 -4.86 115.29 123.21 2qcx s HIS 21 Ca 0.26 1.32 0.24 0.00 -1.54 0.00 0.00 55.06 55.34 2qcx s HIS 21 Cb 0.18 -3.52 1.33 0.00 0.04 0.00 0.00 32.58 30.61 2qcx s HIS 21 CO 0.11 -1.55 1.97 -1.00 -2.34 0.00 0.00 174.74 171.94 2qcx h PRO 22 N 5.32 0.08 -0.13 2.88 0.13 -1.91 0.38 132.00 138.76 2qcx h PRO 22 Ca -0.45 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 64.66 2qcx h PRO 22 Cb 1.21 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 2qcx h PRO 22 CO 0.76 0.06 0.01 0.35 -0.23 0.00 0.00 178.00 178.94 2qcx h PHE 23 N 0.09 0.24 -0.04 1.56 3.04 -1.91 -0.25 116.94 119.66 2qcx h PHE 23 Ca 0.29 -0.04 -0.00 0.00 3.98 0.00 0.00 57.97 62.20 2qcx h PHE 23 Cb 1.03 -0.06 -0.00 0.00 2.56 0.00 0.00 35.95 39.48 2qcx h PHE 23 CO -0.00 0.43 0.01 0.28 -2.02 0.00 0.00 178.31 177.01 2qcx h VAL 24 N -0.03 1.20 0.00 1.41 2.07 -1.53 -2.45 116.25 116.92 2qcx h VAL 24 Ca 0.04 -0.61 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 2qcx h VAL 24 Cb 0.33 1.54 -0.00 0.00 -1.52 0.00 0.00 31.29 31.64 2qcx h VAL 24 CO 0.00 0.17 -0.04 0.06 0.02 0.00 0.00 177.57 177.78 2qcx h GLN 25 N -0.17 0.00 -0.04 1.57 3.07 -1.03 -2.36 115.11 116.16 2qcx h GLN 25 Ca 0.01 0.00 -0.12 0.00 0.09 0.00 0.00 58.65 58.64 2qcx h GLN 25 Cb 0.26 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.81 2qcx h GLN 25 CO 0.00 0.04 -0.51 0.78 0.09 0.00 0.00 178.83 179.23 2qcx h GLY 26 N 2.01 0.11 0.91 0.06 0.00 -0.86 -1.37 103.07 103.93 2qcx h GLY 26 Ca -0.00 -0.12 -0.10 0.00 0.00 0.00 0.00 47.33 47.11 2qcx h GLY 26 CO 0.01 0.10 -0.24 -2.22 0.00 0.00 0.00 176.54 174.19 2qcx h ILE 27 N 0.08 1.31 -0.69 2.60 2.04 -0.96 -0.19 117.51 121.70 2qcx h ILE 27 Ca -0.00 -1.40 -0.03 0.00 1.00 0.00 0.00 64.86 64.43 2qcx h ILE 27 Cb 0.93 1.63 -0.03 0.00 -0.74 0.00 0.00 36.82 38.62 2qcx h ILE 27 CO 0.07 0.44 0.30 1.23 0.00 0.00 0.00 178.15 180.19 2qcx h GLY 28 N 0.34 1.09 -1.26 5.37 0.00 -1.23 -3.12 103.07 104.25 2qcx h GLY 28 Ca 0.04 -0.58 0.00 0.00 0.00 0.00 0.00 47.33 46.80 2qcx h GLY 28 CO 0.06 0.54 -0.32 2.09 0.00 0.00 0.00 176.54 178.92 2qcx n ASP 29 N -4.40 2.31 0.00 0.19 3.85 -0.53 -3.09 116.55 114.88 2qcx n ASP 29 Ca 0.05 -1.66 0.00 0.00 -0.71 0.00 0.00 54.79 52.48 2qcx n ASP 29 Cb 0.16 0.31 0.00 0.00 -1.35 0.00 0.00 41.12 40.24 2qcx n ASP 29 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2qcx n GLY 30 N 1.39 0.95 0.09 6.12 0.00 -0.17 -4.68 105.19 108.89 2qcx n GLY 30 Ca 0.11 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.27 2qcx n GLY 30 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2qcx n THR 31 N -2.00 0.00 -1.67 2.61 -2.24 -0.94 -4.86 114.28 105.19 2qcx n THR 31 Ca 0.00 -0.05 -0.42 0.00 -2.27 0.00 0.00 64.05 61.31 2qcx n THR 31 Cb 0.00 -0.09 -0.03 0.00 -2.10 0.00 0.00 70.33 68.11 2qcx n THR 31 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2qcx s LEU 32 N -2.61 4.38 0.19 3.22 2.96 -0.71 -4.90 118.68 121.21 2qcx s LEU 32 Ca 0.25 2.63 -0.33 0.00 -0.22 0.00 0.00 54.13 56.46 2qcx s LEU 32 Cb 0.20 -3.53 -0.13 0.00 0.50 0.00 0.00 46.19 43.23 2qcx s LEU 32 CO 0.51 -1.11 1.65 -2.65 -1.32 0.00 0.00 176.35 173.43 2qcx n PRO 33 N 7.62 2.48 0.17 0.98 -0.02 -1.26 -4.86 135.00 140.11 2qcx n PRO 33 Ca 0.21 0.90 0.13 0.00 -2.02 0.00 0.00 63.50 62.72 2qcx n PRO 33 Cb 0.41 -2.70 0.69 0.00 -0.02 0.00 0.00 33.50 31.88 2qcx n PRO 33 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 2qcx h ILE 34 N 3.70 0.84 -0.60 4.25 6.09 -1.96 -1.80 117.51 128.02 2qcx h ILE 34 Ca -0.44 0.00 -0.03 0.00 -1.37 0.00 0.00 64.86 63.02 2qcx h ILE 34 Cb 1.23 0.89 -0.03 0.00 0.47 0.00 0.00 36.82 39.38 2qcx h ILE 34 CO 0.92 0.00 0.26 -2.24 -3.07 0.00 0.00 178.15 174.02 2qcx h ASP 35 N 0.00 0.79 0.16 2.19 3.04 -1.99 0.29 116.42 120.89 2qcx h ASP 35 Ca 0.09 -0.09 -0.20 0.00 -3.24 0.00 0.00 57.03 53.60 2qcx h ASP 35 Cb 0.39 -0.20 -0.00 0.00 -1.04 0.00 0.00 39.33 38.48 2qcx h ASP 35 CO -0.00 0.69 -0.75 0.03 -2.04 0.00 0.00 179.24 177.17 2qcx h ARG 36 N 0.86 0.50 -0.21 4.15 3.08 -1.62 -1.48 114.38 119.66 2qcx h ARG 36 Ca 0.21 -0.41 -0.13 0.00 0.07 0.00 0.00 59.98 59.72 2qcx h ARG 36 Cb 0.13 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 2qcx h ARG 36 CO -0.02 1.04 -0.41 0.35 -1.07 0.00 0.00 179.97 179.86 2qcx h PHE 37 N 0.34 0.58 -0.47 3.04 3.04 -1.41 -1.23 116.94 120.83 2qcx h PHE 37 Ca -0.04 -0.17 -0.04 0.00 3.98 0.00 0.00 57.97 61.70 2qcx h PHE 37 Cb 1.34 -0.12 -0.02 0.00 2.56 0.00 0.00 35.95 39.71 2qcx h PHE 37 CO 0.05 0.82 0.13 -0.22 -2.02 0.00 0.00 178.31 177.08 2qcx h LYS 38 N 0.40 0.74 -0.34 1.11 3.64 -0.83 -0.30 116.57 121.00 2qcx h LYS 38 Ca 0.03 -0.17 0.02 0.00 -1.27 0.00 0.00 60.65 59.27 2qcx h LYS 38 Cb 0.89 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.58 2qcx h LYS 38 CO 0.08 0.72 0.17 -0.92 -2.27 0.00 0.00 179.45 177.22 2qcx h TYR 39 N 0.63 0.32 -0.36 1.91 5.03 -1.16 -2.38 116.97 120.97 2qcx h TYR 39 Ca 0.15 0.01 0.07 0.00 2.58 0.00 0.00 58.73 61.54 2qcx h TYR 39 Cb 0.30 -0.09 -0.06 0.00 1.55 0.00 0.00 36.73 38.42 2qcx h TYR 39 CO 0.02 0.17 -0.04 -0.92 -1.32 0.00 0.00 178.16 176.07 2qcx h TYR 40 N 0.35 -0.10 -0.69 -3.82 5.03 -1.02 -1.99 116.97 114.74 2qcx h TYR 40 Ca 0.14 0.03 0.05 0.00 2.58 0.00 0.00 58.73 61.53 2qcx h TYR 40 Cb 0.04 0.10 -0.05 0.00 1.55 0.00 0.00 36.73 38.37 2qcx h TYR 40 CO -0.09 -0.11 0.41 0.28 -1.32 0.00 0.00 178.16 177.33 2qcx h VAL 41 N 0.05 1.02 -0.28 1.81 2.07 -0.77 0.41 116.25 120.56 2qcx h VAL 41 Ca 0.17 -0.26 -0.05 0.00 0.82 0.00 0.00 66.70 67.37 2qcx h VAL 41 Cb 0.25 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 2qcx h VAL 41 CO -0.33 0.14 -0.04 -0.07 0.02 0.00 0.00 177.57 177.30 2qcx h LEU 42 N 0.77 0.52 -1.11 2.57 3.38 -1.16 0.47 115.31 120.74 2qcx h LEU 42 Ca 0.30 -0.34 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 2qcx h LEU 42 Cb 0.12 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 2qcx h LEU 42 CO -0.15 0.74 0.06 1.56 0.09 0.00 0.00 178.44 180.73 2qcx h GLN 43 N 0.28 0.68 -0.02 1.13 1.08 -1.09 -2.80 115.11 114.38 2qcx h GLN 43 Ca 0.07 -0.14 -0.15 0.00 -1.45 0.00 0.00 58.65 56.98 2qcx h GLN 43 Cb 0.50 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.81 2qcx h GLN 43 CO 0.02 0.66 -0.67 0.22 -0.95 0.00 0.00 178.83 178.11 2qcx h ASP 44 N 0.65 0.10 -0.49 1.46 3.58 0.11 -1.10 116.42 120.74 2qcx h ASP 44 Ca 0.14 -0.07 -0.05 0.00 0.42 0.00 0.00 57.03 57.47 2qcx h ASP 44 Cb 0.32 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.32 2qcx h ASP 44 CO 0.01 0.74 0.11 -1.28 -2.88 0.00 0.00 179.24 175.94 2qcx h SER 45 N 0.06 0.76 -0.30 2.28 0.87 -0.71 -0.09 113.55 116.41 2qcx h SER 45 Ca -0.01 -0.24 0.02 0.00 -1.23 0.00 0.00 61.79 60.33 2qcx h SER 45 Cb 1.19 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.93 2qcx h SER 45 CO 0.09 0.80 0.15 0.22 -0.53 0.00 0.00 176.83 177.57 2qcx h TYR 46 N 0.68 0.28 -0.74 2.24 3.20 -1.38 -2.54 116.97 118.69 2qcx h TYR 46 Ca 0.15 0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.09 2qcx h TYR 46 Cb 0.35 -0.08 -0.05 0.00 1.54 0.00 0.00 36.73 38.48 2qcx h TYR 46 CO 0.02 0.15 0.45 -0.92 -1.64 0.00 0.00 178.16 176.22 2qcx h TYR 47 N 0.31 0.83 -0.02 -3.82 3.20 -0.88 -2.63 116.97 113.96 2qcx h TYR 47 Ca 0.12 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.91 2qcx h TYR 47 Cb 0.04 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.03 2qcx h TYR 47 CO -0.10 0.43 -0.49 -0.07 -1.64 0.00 0.00 178.16 176.29 2qcx h LEU 48 N 0.83 0.05 -0.27 2.82 3.38 -0.87 0.83 115.31 122.08 2qcx h LEU 48 Ca 0.32 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.27 2qcx h LEU 48 Cb 0.14 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 2qcx h LEU 48 CO -0.16 0.53 0.15 0.74 0.09 0.00 0.00 178.44 179.79 2qcx h THR 49 N 0.04 1.11 -0.01 0.22 2.02 -1.10 -1.47 112.91 113.72 2qcx h THR 49 Ca -0.00 -0.27 -0.17 0.00 0.77 0.00 0.00 66.41 66.74 2qcx h THR 49 Cb 0.87 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 68.07 2qcx h THR 49 CO 0.07 0.11 -0.78 0.45 0.37 0.00 0.00 175.52 175.73 2qcx h HIS 50 N 0.33 0.15 -0.36 3.16 3.86 -1.24 -3.00 115.15 118.05 2qcx h HIS 50 Ca 0.10 -0.08 0.01 0.00 -1.16 0.00 0.00 60.37 59.24 2qcx h HIS 50 Cb 0.04 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 28.47 2qcx h HIS 50 CO -0.04 0.84 0.23 0.35 0.86 0.00 0.00 177.93 180.16 2qcx h PHE 51 N 0.06 0.43 -0.46 2.45 3.57 -0.69 -0.68 116.94 121.62 2qcx h PHE 51 Ca -0.02 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 2qcx h PHE 51 Cb 1.37 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.94 2qcx h PHE 51 CO 0.01 0.26 0.17 0.00 -2.23 0.00 0.00 178.31 176.52 2qcx h ALA 52 N 1.14 1.44 -0.33 2.41 0.00 -1.25 -0.02 119.26 122.65 2qcx h ALA 52 Ca 0.14 -0.14 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 2qcx h ALA 52 Cb -0.03 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 2qcx h ALA 52 CO -0.05 0.43 -0.44 0.87 0.00 0.00 0.00 179.25 180.06 2qcx h LYS 53 N 0.65 0.86 -0.47 0.00 1.57 -1.31 -1.87 116.57 116.00 2qcx h LYS 53 Ca 0.16 -0.48 -0.11 0.00 -1.87 0.00 0.00 60.65 58.35 2qcx h LYS 53 Cb 0.16 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 2qcx h LYS 53 CO -0.01 1.12 -0.13 0.28 -0.57 0.00 0.00 179.45 180.13 2qcx h VAL 54 N 0.69 1.27 -0.98 0.50 2.07 -0.81 -0.36 116.25 118.62 2qcx h VAL 54 Ca 0.04 -1.27 0.11 0.00 0.82 0.00 0.00 66.70 66.40 2qcx h VAL 54 Cb 1.03 1.11 -0.08 0.00 -1.52 0.00 0.00 31.29 31.83 2qcx h VAL 54 CO 0.10 0.44 0.63 1.56 0.02 0.00 0.00 177.57 180.32 2qcx h GLN 55 N 0.77 0.97 -0.40 1.57 4.20 -0.98 0.83 115.11 122.07 2qcx h GLN 55 Ca 0.12 -0.06 -0.14 0.00 0.06 0.00 0.00 58.65 58.63 2qcx h GLN 55 Cb 0.69 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 28.24 2qcx h GLN 55 CO 0.05 0.64 -0.32 0.77 -0.67 0.00 0.00 178.83 179.31 2qcx h SER 56 N 1.00 0.93 -0.96 1.46 0.02 -0.98 -0.78 113.55 114.23 2qcx h SER 56 Ca 0.47 -0.39 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 2qcx h SER 56 Cb 0.43 -0.26 -0.05 0.00 0.14 0.00 0.00 62.40 62.66 2qcx h SER 56 CO -0.23 1.16 0.61 -0.26 -1.14 0.00 0.00 176.83 176.97 2qcx h PHE 57 N 0.74 1.24 -0.26 3.45 0.04 -0.54 -1.52 116.94 120.09 2qcx h PHE 57 Ca 0.08 0.01 0.04 0.00 2.80 0.00 0.00 57.97 60.90 2qcx h PHE 57 Cb 0.88 -0.41 -0.03 0.00 2.20 0.00 0.00 35.95 38.59 2qcx h PHE 57 CO 0.05 0.80 0.04 0.78 -0.60 0.00 0.00 178.31 179.39 2qcx h GLY 58 N 1.32 0.29 0.52 -1.45 0.00 -0.32 -0.70 103.07 102.73 2qcx h GLY 58 Ca 0.35 -0.01 0.08 0.00 0.00 0.00 0.00 47.33 47.75 2qcx h GLY 58 CO -0.07 -0.01 0.36 0.00 0.00 0.00 0.00 176.54 176.82 2qcx h ALA 59 N 1.19 0.97 -0.77 3.60 0.00 -0.90 -1.16 119.26 122.19 2qcx h ALA 59 Ca 0.12 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 2qcx h ALA 59 Cb 0.13 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2qcx h ALA 59 CO -0.16 -0.02 0.28 0.00 0.00 0.00 0.00 179.25 179.35 2qcx h ALA 60 N 1.41 1.05 -0.00 0.00 0.00 -0.53 -3.11 119.26 118.08 2qcx h ALA 60 Ca 0.34 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2qcx h ALA 60 Cb 0.32 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2qcx h ALA 60 CO -0.25 0.66 -0.45 0.66 0.00 0.00 0.00 179.25 179.87 2qcx n TYR 61 N -4.27 0.00 -1.80 0.00 4.01 -0.34 -4.93 117.16 109.84 2qcx n TYR 61 Ca 0.07 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.40 2qcx n TYR 61 Cb 0.20 -0.19 0.00 0.00 -0.31 0.00 0.00 39.34 39.04 2qcx n TYR 61 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2qcx s ALA 62 N -2.84 3.55 -2.29 -0.72 0.00 -0.46 -4.35 121.76 114.64 2qcx s ALA 62 Ca 0.15 1.57 0.28 0.00 0.00 0.00 0.00 51.96 53.96 2qcx s ALA 62 Cb 0.18 -3.61 1.31 0.00 0.00 0.00 0.00 23.12 21.00 2qcx s ALA 62 CO 0.65 -1.07 1.88 1.63 0.00 0.00 0.00 175.76 178.85 2qcx n LYS 63 N 0.41 1.42 -4.04 0.00 5.02 -1.26 -4.83 118.16 114.88 2qcx n LYS 63 Ca 0.01 -0.61 -0.12 0.00 -2.02 0.00 0.00 58.31 55.57 2qcx n LYS 63 Cb 0.39 -1.47 -0.12 0.00 -0.02 0.00 0.00 35.03 33.82 2qcx n LYS 63 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 2qcx s ASP 64 N -1.94 0.66 0.43 4.39 -4.77 -1.26 -5.05 116.67 109.13 2qcx s ASP 64 Ca 0.40 -0.48 0.16 0.00 -3.30 0.00 0.00 52.55 49.34 2qcx s ASP 64 Cb 0.21 0.04 0.96 0.00 -1.09 0.00 0.00 42.92 43.04 2qcx s ASP 64 CO 0.33 -0.20 1.93 0.25 0.70 0.00 0.00 175.17 178.18 2qcx h LEU 65 N 4.71 0.00 -0.14 2.11 5.85 -1.98 -2.16 115.31 123.70 2qcx h LEU 65 Ca -0.34 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.37 2qcx h LEU 65 Cb 1.20 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.23 2qcx h LEU 65 CO 0.42 0.26 0.02 0.22 -0.34 0.00 0.00 178.44 179.02 2qcx h TYR 66 N 0.00 0.25 -0.34 1.25 5.03 -1.99 -1.47 116.97 119.70 2qcx h TYR 66 Ca -0.00 -0.03 -0.09 0.00 2.58 0.00 0.00 58.73 61.19 2qcx h TYR 66 Cb 0.49 -0.07 -0.02 0.00 1.55 0.00 0.00 36.73 38.69 2qcx h TYR 66 CO 0.00 0.41 -0.16 1.15 -1.32 0.00 0.00 178.16 178.24 2qcx h THR 67 N 0.02 1.25 -0.06 1.81 2.02 -1.91 0.33 112.91 116.36 2qcx h THR 67 Ca 0.04 -1.16 0.03 0.00 0.77 0.00 0.00 66.41 66.09 2qcx h THR 67 Cb 0.29 1.17 -0.04 0.00 -1.74 0.00 0.00 68.15 67.83 2qcx h THR 67 CO 0.00 0.38 -0.13 0.74 0.37 0.00 0.00 175.52 176.88 2qcx h THR 68 N 0.55 0.65 -0.90 3.16 2.02 -1.35 0.13 112.91 117.17 2qcx h THR 68 Ca 0.09 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.32 2qcx h THR 68 Cb 0.59 0.65 -0.05 0.00 -1.74 0.00 0.00 68.15 67.60 2qcx h THR 68 CO 0.04 0.00 0.59 1.23 0.37 0.00 0.00 175.52 177.75 2qcx h GLY 69 N -0.19 1.30 1.15 2.16 0.00 -0.79 -0.91 103.07 105.78 2qcx h GLY 69 Ca 0.07 -0.43 -0.17 0.00 0.00 0.00 0.00 47.33 46.80 2qcx h GLY 69 CO -0.18 0.35 -0.43 3.21 0.00 0.00 0.00 176.54 179.49 2qcx h ARG 70 N 1.09 0.92 -0.13 4.80 2.47 -0.51 -1.85 114.38 121.17 2qcx h ARG 70 Ca 0.37 -0.51 -0.21 0.00 -1.26 0.00 0.00 59.98 58.37 2qcx h ARG 70 Cb 0.08 0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.44 2qcx h ARG 70 CO -0.12 1.17 -0.75 0.52 0.56 0.00 0.00 179.97 181.34 2qcx h MET 71 N 0.74 0.66 -0.52 0.04 2.86 -0.48 -1.58 114.93 116.65 2qcx h MET 71 Ca 0.05 -0.53 0.04 0.00 -2.06 0.00 0.00 59.70 57.20 2qcx h MET 71 Cb 1.03 0.11 -0.04 0.00 0.06 0.00 0.00 31.60 32.76 2qcx h MET 71 CO 0.10 1.15 0.27 0.00 1.06 0.00 0.00 176.91 179.50 2qcx h ALA 72 N 0.70 0.67 -0.61 6.32 0.00 -1.21 -0.36 119.26 124.76 2qcx h ALA 72 Ca -0.04 0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.96 2qcx h ALA 72 Cb 1.36 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 19.00 2qcx h ALA 72 CO 0.15 -0.06 0.29 1.03 0.00 0.00 0.00 179.25 180.65 2qcx h SER 73 N 0.53 0.37 -0.59 0.00 0.87 -1.12 -0.97 113.55 112.64 2qcx h SER 73 Ca 0.23 0.05 -0.08 0.00 -1.23 0.00 0.00 61.79 60.76 2qcx h SER 73 Cb 0.12 -0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.04 2qcx h SER 73 CO -0.15 0.23 0.09 0.45 -0.53 0.00 0.00 176.83 176.92 2qcx h HIS 74 N 0.52 1.07 -0.60 2.24 3.86 -0.79 0.90 115.15 122.35 2qcx h HIS 74 Ca 0.29 -0.14 -0.07 0.00 -1.16 0.00 0.00 60.37 59.29 2qcx h HIS 74 Cb 0.28 -0.30 -0.03 0.00 1.06 0.00 0.00 27.41 28.43 2qcx h HIS 74 CO -0.12 0.91 0.11 0.00 0.86 0.00 0.00 177.93 179.69 2qcx h ALA 75 N 1.14 1.05 -0.35 2.45 0.00 -0.61 -1.03 119.26 121.91 2qcx h ALA 75 Ca 0.19 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 2qcx h ALA 75 Cb 0.43 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2qcx h ALA 75 CO 0.01 0.61 -0.29 0.37 0.00 0.00 0.00 179.25 179.96 2qcx h GLN 76 N 0.92 0.75 -0.89 0.00 4.15 -0.93 -3.03 115.11 116.08 2qcx h GLN 76 Ca 0.19 -0.33 0.04 0.00 0.77 0.00 0.00 58.65 59.31 2qcx h GLN 76 Cb 0.38 -0.02 -0.05 0.00 0.21 0.00 0.00 27.48 28.00 2qcx h GLN 76 CO 0.01 0.95 0.58 0.78 -1.93 0.00 0.00 178.83 179.21 2qcx h GLY 77 N 0.96 1.27 0.93 2.39 0.00 -0.26 -1.68 103.07 106.67 2qcx h GLY 77 Ca 0.08 -0.44 -0.01 0.00 0.00 0.00 0.00 47.33 46.96 2qcx h GLY 77 CO 0.07 0.38 0.14 -0.84 0.00 0.00 0.00 176.54 176.28 2qcx h THR 78 N 1.10 1.16 -0.38 4.70 2.02 -1.09 0.27 112.91 120.70 2qcx h THR 78 Ca 0.35 -0.47 0.03 0.00 0.77 0.00 0.00 66.41 67.09 2qcx h THR 78 Cb 0.03 0.91 -0.04 0.00 -1.74 0.00 0.00 68.15 67.31 2qcx h THR 78 CO -0.11 0.17 0.17 0.22 0.37 0.00 0.00 175.52 176.34 2qcx h TYR 79 N 0.35 0.30 -0.29 3.16 5.03 -1.38 -1.68 116.97 122.47 2qcx h TYR 79 Ca 0.10 0.02 -0.15 0.00 2.58 0.00 0.00 58.73 61.28 2qcx h TYR 79 Cb 0.14 -0.08 -0.01 0.00 1.55 0.00 0.00 36.73 38.33 2qcx h TYR 79 CO -0.01 0.15 -0.43 0.93 -1.32 0.00 0.00 178.16 177.48 2qcx h GLU 80 N 0.35 0.71 -0.64 1.82 5.08 -1.09 -0.47 114.58 120.33 2qcx h GLU 80 Ca 0.16 -0.38 -0.09 0.00 -1.00 0.00 0.00 59.36 58.05 2qcx h GLU 80 Cb 0.10 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 2qcx h GLU 80 CO -0.14 1.00 0.04 0.00 -1.00 0.00 0.00 179.01 178.92 2qcx h ALA 81 N 0.94 0.86 -0.42 3.43 0.00 -0.40 0.14 119.26 123.81 2qcx h ALA 81 Ca 0.04 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 2qcx h ALA 81 Cb 0.97 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 2qcx h ALA 81 CO 0.09 0.68 0.01 1.49 0.00 0.00 0.00 179.25 181.52 2qcx h GLU 82 N 1.02 0.73 -0.69 0.00 4.22 -1.20 -2.78 114.58 115.89 2qcx h GLU 82 Ca 0.19 -0.23 -0.04 0.00 0.08 0.00 0.00 59.36 59.36 2qcx h GLU 82 Cb 0.52 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 2qcx h GLU 82 CO 0.02 0.80 0.28 1.98 -2.18 0.00 0.00 179.01 179.92 2qcx h MET 83 N 0.57 1.02 -0.05 1.92 4.05 -0.85 -0.22 114.93 121.37 2qcx h MET 83 Ca 0.12 -0.18 -0.11 0.00 -0.28 0.00 0.00 59.70 59.25 2qcx h MET 83 Cb 0.46 -0.17 -0.01 0.00 -0.80 0.00 0.00 31.60 31.08 2qcx h MET 83 CO 0.02 0.84 -0.47 0.00 0.23 0.00 0.00 176.91 177.53 2qcx h ALA 84 N 1.13 1.13 0.00 0.39 0.00 -0.68 -2.71 119.26 118.53 2qcx h ALA 84 Ca 0.23 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2qcx h ALA 84 Cb 0.20 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2qcx h ALA 84 CO -0.02 0.61 -0.73 1.28 0.00 0.00 0.00 179.25 180.39 2qcx n LEU 85 N -3.98 0.63 -0.23 0.00 4.77 -1.05 -4.53 117.00 112.61 2qcx n LEU 85 Ca -0.02 -0.08 -0.03 0.00 -0.03 0.00 0.00 56.01 55.86 2qcx n LEU 85 Cb 0.50 -0.16 0.08 0.00 -2.33 0.00 0.00 43.42 41.52 2qcx n LEU 85 CO 0.41 0.11 1.11 -0.74 -1.33 0.00 0.00 177.39 176.95 2qcx h HIS 86 N 0.00 0.72 0.80 -1.77 2.76 -0.69 -1.93 115.15 115.04 2qcx h HIS 86 Ca 0.00 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.15 2qcx h HIS 86 Cb 0.58 -0.23 0.01 0.00 1.55 0.00 0.00 27.41 29.32 2qcx h HIS 86 CO 0.00 0.37 -0.38 -0.09 -1.30 0.00 0.00 177.93 176.53 2qcx h ARG 87 N 0.74 -1.03 -0.42 5.26 2.43 -1.80 -1.54 114.38 118.02 2qcx h ARG 87 Ca 0.28 0.07 0.04 0.00 -0.81 0.00 0.00 59.98 59.57 2qcx h ARG 87 Cb 0.11 0.23 -0.04 0.00 -0.42 0.00 0.00 29.97 29.86 2qcx h ARG 87 CO -0.15 -0.68 0.18 1.49 -1.51 0.00 0.00 179.97 179.30 2qcx h GLU 88 N -1.15 0.35 -0.54 0.20 4.81 -1.82 -2.39 114.58 114.03 2qcx h GLU 88 Ca -0.11 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.03 2qcx h GLU 88 Cb 0.83 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.11 2qcx h GLU 88 CO 0.18 0.23 0.07 0.74 -0.73 0.00 0.00 179.01 179.50 2qcx h PHE 89 N 0.36 0.98 -0.13 0.92 0.04 -1.41 -2.27 116.94 115.44 2qcx h PHE 89 Ca 0.19 -0.14 -0.00 0.00 2.80 0.00 0.00 57.97 60.81 2qcx h PHE 89 Cb 0.14 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 38.02 2qcx h PHE 89 CO -0.13 0.88 0.07 0.00 -0.60 0.00 0.00 178.31 178.53 2qcx h ALA 90 N 0.98 0.16 -0.06 2.45 0.00 -1.00 -2.67 119.26 119.12 2qcx h ALA 90 Ca 0.16 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.87 2qcx h ALA 90 Cb 0.44 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.19 2qcx h ALA 90 CO 0.01 -0.32 -0.60 1.05 0.00 0.00 0.00 179.25 179.39 2qcx h GLU 91 N 0.13 0.52 0.00 0.00 4.11 -1.42 -0.23 114.58 117.69 2qcx h GLU 91 Ca 0.04 -0.48 -0.01 0.00 0.07 0.00 0.00 59.36 58.99 2qcx h GLU 91 Cb 0.04 0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 2qcx h GLU 91 CO -0.01 1.11 -0.06 -0.07 0.07 0.00 0.00 179.01 180.05 2qcx h LEU 92 N 0.10 0.00 -0.47 3.06 3.38 -1.49 -2.93 115.31 116.97 2qcx h LEU 92 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2qcx h LEU 92 Cb 1.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.02 2qcx h LEU 92 CO 0.12 0.06 -0.48 0.18 0.09 0.00 0.00 178.44 178.41 2qcx n LEU 93 N -3.25 1.16 -3.68 1.67 4.77 -1.01 -5.02 117.00 111.64 2qcx n LEU 93 Ca -0.01 -0.64 -0.24 0.00 -0.03 0.00 0.00 56.01 55.08 2qcx n LEU 93 Cb 0.26 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.38 2qcx n LEU 93 CO 0.27 0.24 -0.08 -0.62 -1.33 0.00 0.00 177.39 175.87 2qcx n GLU 94 N -0.69 -3.27 -2.75 3.23 1.02 -0.13 -4.92 120.64 113.14 2qcx n GLU 94 Ca 0.05 0.56 -0.43 0.00 -0.02 0.00 0.00 57.16 57.32 2qcx n GLU 94 Cb 0.28 -4.83 -0.03 0.00 -0.02 0.00 0.00 31.44 26.83 2qcx n GLU 94 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2qcx s ILE 95 N -3.62 4.33 1.01 -3.67 1.01 -1.02 -5.03 121.20 114.21 2qcx s ILE 95 Ca 0.19 0.74 -0.16 0.00 0.00 0.00 0.00 60.65 61.42 2qcx s ILE 95 Cb -0.06 -4.54 0.20 0.00 0.01 0.00 0.00 42.46 38.08 2qcx s ILE 95 CO 0.83 -1.02 1.22 -0.94 0.00 0.00 0.00 174.94 175.03 2qcx s SER 96 N 2.55 2.67 0.10 3.58 1.04 -1.26 -4.98 113.70 117.39 2qcx s SER 96 Ca 0.38 0.54 -0.08 0.00 0.48 0.00 0.00 55.95 57.27 2qcx s SER 96 Cb -0.10 -0.77 -0.19 0.00 0.10 0.00 0.00 66.02 65.07 2qcx s SER 96 CO 0.25 -3.03 1.22 -0.08 0.98 0.00 0.00 173.24 172.58 2qcx h GLU 97 N -1.84 0.46 -0.10 4.02 4.81 -2.00 -3.21 114.58 116.72 2qcx h GLU 97 Ca -0.46 -0.57 -0.11 0.00 -0.13 0.00 0.00 59.36 58.09 2qcx h GLU 97 Cb 1.28 0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.82 2qcx h GLU 97 CO 0.43 1.21 -0.45 1.05 -0.73 0.00 0.00 179.01 180.53 2qcx h GLU 98 N 0.22 0.24 -0.69 1.92 9.09 -1.98 -2.62 114.58 120.76 2qcx h GLU 98 Ca -0.12 -0.12 -0.07 0.00 0.05 0.00 0.00 59.36 59.10 2qcx h GLU 98 Cb 1.75 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 28.82 2qcx h GLU 98 CO 0.19 0.65 0.17 0.93 0.05 0.00 0.00 179.01 181.00 2qcx h GLU 99 N 0.20 1.09 0.00 1.06 5.08 -1.95 0.52 114.58 120.58 2qcx h GLU 99 Ca 0.01 -0.25 -0.06 0.00 -1.00 0.00 0.00 59.36 58.06 2qcx h GLU 99 Cb 0.87 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 2qcx h GLU 99 CO 0.07 0.96 -0.30 0.00 -1.00 0.00 0.00 179.01 178.73 2qcx h ARG 100 N 1.04 0.00 0.18 2.33 3.08 -1.53 -2.37 114.38 117.10 2qcx h ARG 100 Ca 0.22 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 60.02 2qcx h ARG 100 Cb 0.36 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.43 2qcx h ARG 100 CO 0.00 0.30 -1.10 -0.22 -1.07 0.00 0.00 179.97 177.88 2qcx h LYS 101 N 0.00 0.38 0.00 0.04 3.11 -1.00 -3.30 116.57 115.79 2qcx h LYS 101 Ca -0.00 -0.64 0.00 0.00 -2.81 0.00 0.00 60.65 57.19 2qcx h LYS 101 Cb 0.67 0.24 0.00 0.00 -1.00 0.00 0.00 32.23 32.14 2qcx h LYS 101 CO 0.04 1.31 0.00 0.00 -2.81 0.00 0.00 179.45 177.99 2qcx n ALA 102 N -2.72 2.56 -2.10 5.00 0.00 0.18 -4.89 120.51 118.54 2qcx n ALA 102 Ca -0.16 -0.14 -0.42 0.00 0.00 0.00 0.00 53.44 52.72 2qcx n ALA 102 Cb 0.93 -1.36 -0.03 0.00 0.00 0.00 0.00 19.45 18.99 2qcx n ALA 102 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 2qcx s PHE 103 N -2.00 3.24 -0.03 0.00 2.19 -0.90 -5.04 117.98 115.44 2qcx s PHE 103 Ca 0.33 1.06 0.04 0.00 0.33 0.00 0.00 56.93 58.69 2qcx s PHE 103 Cb 0.15 -3.65 -0.00 0.00 -1.31 0.00 0.00 43.02 38.20 2qcx s PHE 103 CO 0.26 -2.19 -0.15 0.15 1.83 0.00 0.00 175.22 175.11 2qcx s LYS 104 N 0.60 1.50 0.33 10.12 -0.14 -1.26 -5.07 119.74 125.82 2qcx s LYS 104 Ca 0.61 -0.55 -0.29 0.00 -1.36 0.00 0.00 55.97 54.39 2qcx s LYS 104 Cb -0.37 -1.36 -0.11 0.00 -1.68 0.00 0.00 37.83 34.32 2qcx s LYS 104 CO 0.34 0.25 1.39 -1.25 -0.76 0.00 0.00 175.35 175.32 2qcx s PRO 105 N -0.06 4.26 0.91 -1.68 0.04 -1.26 -4.99 135.00 132.22 2qcx s PRO 105 Ca -0.01 2.36 -0.11 0.00 0.04 0.00 0.00 61.00 63.27 2qcx s PRO 105 Cb -0.09 -3.04 0.14 0.00 0.04 0.00 0.00 34.50 31.54 2qcx s PRO 105 CO 0.01 -0.35 1.09 -1.54 0.04 0.00 0.00 177.00 176.25 2qcx s SER 106 N -0.22 3.29 0.28 6.66 1.04 -1.26 -4.79 113.70 118.70 2qcx s SER 106 Ca 0.52 1.56 0.02 0.00 0.48 0.00 0.00 55.95 58.52 2qcx s SER 106 Cb -0.42 -2.22 0.61 0.00 0.10 0.00 0.00 66.02 64.08 2qcx s SER 106 CO 0.55 -2.76 1.77 -0.65 0.98 0.00 0.00 173.24 173.13 2qcx h PRO 107 N -1.63 0.69 -0.22 4.02 0.11 -1.87 -1.58 132.00 131.52 2qcx h PRO 107 Ca -0.50 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.51 2qcx h PRO 107 Cb 1.28 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 2qcx h PRO 107 CO 0.53 0.46 -0.12 1.15 -0.21 0.00 0.00 178.00 179.81 2qcx h THR 108 N 0.71 1.31 -0.60 -1.15 2.02 -1.95 0.18 112.91 113.43 2qcx h THR 108 Ca 0.51 -1.19 0.01 0.00 0.77 0.00 0.00 66.41 66.50 2qcx h THR 108 Cb 0.72 1.62 -0.03 0.00 -1.74 0.00 0.00 68.15 68.72 2qcx h THR 108 CO -0.36 0.37 0.40 0.00 0.37 0.00 0.00 175.52 176.29 2qcx h ALA 109 N 0.70 0.76 -0.09 6.16 0.00 -1.89 -0.60 119.26 124.31 2qcx h ALA 109 Ca 0.05 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2qcx h ALA 109 Cb 0.62 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 2qcx h ALA 109 CO 0.03 0.19 0.03 -0.92 0.00 0.00 0.00 179.25 178.58 2qcx h TYR 110 N 0.81 0.14 -0.93 0.00 3.20 -1.23 -1.93 116.97 117.04 2qcx h TYR 110 Ca 0.22 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.07 2qcx h TYR 110 Cb -0.09 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.09 2qcx h TYR 110 CO -0.03 0.29 0.56 0.77 -1.64 0.00 0.00 178.16 178.11 2qcx h SER 111 N -0.06 1.12 0.39 -2.11 0.02 -0.85 0.30 113.55 112.36 2qcx h SER 111 Ca 0.03 -0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 60.89 2qcx h SER 111 Cb 0.22 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.48 2qcx h SER 111 CO -0.00 0.86 -0.19 0.15 -1.14 0.00 0.00 176.83 176.51 2qcx h PHE 112 N 1.28 -0.48 -0.49 3.45 -0.00 -1.06 -1.14 116.94 118.51 2qcx h PHE 112 Ca 0.33 -0.01 -0.02 0.00 -0.00 0.00 0.00 57.97 58.28 2qcx h PHE 112 Cb -0.06 0.16 -0.02 0.00 -0.00 0.00 0.00 35.95 36.03 2qcx h PHE 112 CO 0.01 -0.19 0.23 1.79 -0.00 0.00 0.00 178.31 180.15 2qcx h THR 113 N -0.74 1.17 -0.63 4.41 1.35 -1.27 -0.61 112.91 116.58 2qcx h THR 113 Ca -0.05 -0.47 -0.02 0.00 -0.55 0.00 0.00 66.41 65.32 2qcx h THR 113 Cb 0.51 0.55 -0.03 0.00 -1.73 0.00 0.00 68.15 67.45 2qcx h THR 113 CO 0.09 0.19 0.32 0.28 -0.25 0.00 0.00 175.52 176.15 2qcx h SER 114 N 0.68 0.78 -0.24 5.36 0.02 -0.80 -1.41 113.55 117.95 2qcx h SER 114 Ca 0.17 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 2qcx h SER 114 Cb 0.08 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 2qcx h SER 114 CO -0.02 0.65 0.11 -0.74 -1.14 0.00 0.00 176.83 175.69 2qcx h HIS 115 N 0.88 0.35 -0.71 3.45 6.17 0.17 -0.12 115.15 125.34 2qcx h HIS 115 Ca 0.22 -0.02 0.02 0.00 0.71 0.00 0.00 60.37 61.30 2qcx h HIS 115 Cb 0.06 -0.11 -0.04 0.00 2.52 0.00 0.00 27.41 29.84 2qcx h HIS 115 CO 0.01 0.34 0.46 0.52 0.71 0.00 0.00 177.93 179.96 2qcx h MET 116 N 0.25 0.88 -0.25 5.26 2.86 -1.01 -2.52 114.93 120.40 2qcx h MET 116 Ca 0.08 -0.05 -0.09 0.00 -2.06 0.00 0.00 59.70 57.58 2qcx h MET 116 Cb 0.13 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.57 2qcx h MET 116 CO -0.01 0.58 -0.21 1.88 1.06 0.00 0.00 176.91 180.21 2qcx h TYR 117 N 0.91 0.51 -0.70 -0.22 0.05 -1.10 -2.84 116.97 113.58 2qcx h TYR 117 Ca 0.28 -0.10 -0.00 0.00 0.05 0.00 0.00 58.73 58.95 2qcx h TYR 117 Cb -0.03 -0.13 -0.03 0.00 1.01 0.00 0.00 36.73 37.54 2qcx h TYR 117 CO -0.03 0.65 0.42 -0.09 -1.05 0.00 0.00 178.16 178.05 2qcx h ARG 118 N 0.42 0.95 -0.54 4.88 2.43 -0.60 -2.25 114.38 119.67 2qcx h ARG 118 Ca 0.07 -0.08 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 2qcx h ARG 118 Cb 0.60 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 29.93 2qcx h ARG 118 CO 0.04 0.67 0.26 0.66 -1.51 0.00 0.00 179.97 180.09 2qcx h SER 119 N 0.97 0.67 -0.77 -3.80 4.64 -1.23 -2.62 113.55 111.41 2qcx h SER 119 Ca 0.25 -0.06 0.05 0.00 -0.47 0.00 0.00 61.79 61.56 2qcx h SER 119 Cb -0.03 -0.17 -0.05 0.00 -0.31 0.00 0.00 62.40 61.83 2qcx h SER 119 CO -0.05 0.57 0.47 0.58 -0.87 0.00 0.00 176.83 177.53 2qcx h VAL 120 N 0.75 1.06 0.00 0.95 2.07 -1.41 -2.07 116.25 117.60 2qcx h VAL 120 Ca 0.19 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.40 2qcx h VAL 120 Cb 0.08 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 29.94 2qcx h VAL 120 CO -0.03 0.16 0.00 -0.07 0.02 0.00 0.00 177.57 177.66 2qcx h LEU 121 N 0.89 0.00 -2.20 2.57 3.38 -1.39 -0.50 115.31 118.05 2qcx h LEU 121 Ca 0.32 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.28 2qcx h LEU 121 Cb 0.10 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 2qcx h LEU 121 CO -0.15 0.00 -0.06 0.77 0.09 0.00 0.00 178.44 179.09 2qcx h SER 122 N 0.00 0.00 -0.49 -0.43 4.64 -1.44 -3.46 113.55 112.36 2qcx h SER 122 Ca 0.00 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.11 2qcx h SER 122 Cb 0.03 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.04 2qcx h SER 122 CO 0.00 0.06 -0.19 0.61 -0.87 0.00 0.00 176.83 176.44 2qcx n GLY 123 N -0.91 1.12 3.05 -0.77 0.00 -0.20 -4.97 105.19 102.50 2qcx n GLY 123 Ca -0.02 -0.26 -0.32 0.00 0.00 0.00 0.00 46.02 45.42 2qcx n GLY 123 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2qcx s ASN 124 N -2.62 4.42 0.33 1.61 3.84 -1.26 -4.98 114.94 116.27 2qcx s ASN 124 Ca 0.00 -1.47 0.05 0.00 0.21 0.00 0.00 52.86 51.65 2qcx s ASN 124 Cb 0.00 -1.51 0.69 0.00 -0.55 0.00 0.00 41.25 39.88 2qcx s ASN 124 CO 0.00 -0.22 1.88 0.15 -2.79 0.00 0.00 177.10 176.12 2qcx h PHE 125 N 7.77 0.93 -0.93 0.43 3.57 -1.91 -1.22 116.94 125.58 2qcx h PHE 125 Ca -0.17 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.35 2qcx h PHE 125 Cb 1.04 -0.30 -0.04 0.00 2.79 0.00 0.00 35.95 39.44 2qcx h PHE 125 CO 0.60 0.40 0.56 0.00 -2.23 0.00 0.00 178.31 177.64 2qcx h ALA 126 N 1.57 1.18 -0.12 2.41 0.00 -1.94 0.24 119.26 122.60 2qcx h ALA 126 Ca 0.43 -0.10 -0.16 0.00 0.00 0.00 0.00 54.91 55.08 2qcx h ALA 126 Cb 0.50 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2qcx h ALA 126 CO -0.19 0.64 -0.60 0.93 0.00 0.00 0.00 179.25 180.02 2qcx h GLU 127 N 1.28 0.39 0.10 0.00 5.08 -1.61 -1.48 114.58 118.34 2qcx h GLU 127 Ca 0.33 -0.27 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 2qcx h GLU 127 Cb -0.06 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.23 2qcx h GLU 127 CO -0.06 0.88 -0.05 0.82 -1.00 0.00 0.00 179.01 179.60 2qcx h ILE 128 N 0.29 1.06 -0.78 3.13 2.04 -1.07 -2.73 117.51 119.46 2qcx h ILE 128 Ca -0.01 -0.62 0.05 0.00 1.00 0.00 0.00 64.86 65.29 2qcx h ILE 128 Cb 1.13 1.45 -0.05 0.00 -0.74 0.00 0.00 36.82 38.62 2qcx h ILE 128 CO 0.10 0.15 0.51 0.25 0.00 0.00 0.00 178.15 179.16 2qcx h LEU 129 N -0.43 0.76 -0.89 1.44 5.85 -0.94 -1.70 115.31 119.40 2qcx h LEU 129 Ca -0.01 -0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.72 2qcx h LEU 129 Cb 0.35 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.17 2qcx h LEU 129 CO 0.02 0.50 0.59 0.00 -0.34 0.00 0.00 178.44 179.21 2qcx h ALA 130 N 1.57 1.14 -0.01 1.25 0.00 -1.20 0.19 119.26 122.20 2qcx h ALA 130 Ca 0.33 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 55.07 2qcx h ALA 130 Cb 0.18 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2qcx h ALA 130 CO -0.11 0.51 -0.52 0.00 0.00 0.00 0.00 179.25 179.13 2qcx h ALA 131 N 1.34 1.11 0.00 0.00 0.00 -1.02 -3.18 119.26 117.51 2qcx h ALA 131 Ca 0.33 -0.48 -0.17 0.00 0.00 0.00 0.00 54.91 54.59 2qcx h ALA 131 Cb -0.10 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 2qcx h ALA 131 CO -0.08 0.66 -0.87 -0.07 0.00 0.00 0.00 179.25 178.88 2qcx h LEU 132 N 0.03 0.00 -0.30 0.00 3.38 -0.78 -3.41 115.31 114.23 2qcx h LEU 132 Ca -0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 2qcx h LEU 132 Cb 0.93 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.66 2qcx h LEU 132 CO 0.07 0.79 0.14 0.25 0.09 0.00 0.00 178.44 179.78 2qcx h LEU 133 N 0.00 0.19 -1.93 1.67 5.85 -0.62 -2.01 115.31 118.46 2qcx h LEU 133 Ca -0.03 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.75 2qcx h LEU 133 Cb 1.63 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.64 2qcx h LEU 133 CO 0.10 0.15 0.13 -0.65 -0.34 0.00 0.00 178.44 177.83 2qcx h PRO 134 N 0.29 0.08 -0.98 5.25 0.11 -1.79 -0.61 132.00 134.36 2qcx h PRO 134 Ca 0.13 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.26 2qcx h PRO 134 Cb 0.06 -0.02 -0.05 0.00 0.11 0.00 0.00 31.00 31.10 2qcx h PRO 134 CO -0.10 0.06 0.65 0.00 -0.21 0.00 0.00 178.00 178.39 2qcx h TYR 136 N 1.28 -0.11 0.18 0.00 0.05 -1.26 -3.34 116.97 113.76 2qcx h TYR 136 Ca 0.37 -0.00 -0.31 0.00 0.05 0.00 0.00 58.73 58.84 2qcx h TYR 136 Cb -0.07 0.04 0.03 0.00 1.01 0.00 0.00 36.73 37.73 2qcx h TYR 136 CO -0.00 0.41 -1.34 2.35 -1.05 0.00 0.00 178.16 178.53 2qcx h TRP 137 N -0.76 0.97 -0.34 4.88 7.01 -0.81 -2.56 115.95 124.35 2qcx h TRP 137 Ca -0.01 -0.65 -0.08 0.00 2.11 0.00 0.00 58.89 60.26 2qcx h TRP 137 Cb 0.57 -0.06 -0.01 0.00 -2.10 0.00 0.00 29.16 27.56 2qcx h TRP 137 CO 0.11 1.50 -0.10 1.25 -2.79 0.00 0.00 178.44 178.41 2qcx h LEU 138 N 0.21 0.67 -1.04 0.65 6.46 -0.81 -2.10 115.31 119.35 2qcx h LEU 138 Ca -0.21 -0.37 0.04 0.00 -0.12 0.00 0.00 57.88 57.21 2qcx h LEU 138 Cb 2.02 -0.18 -0.06 0.00 -0.73 0.00 0.00 40.66 41.71 2qcx h LEU 138 CO 0.25 0.89 0.64 1.88 -0.62 0.00 0.00 178.44 181.48 2qcx h TYR 139 N 0.44 1.20 0.26 1.25 -1.99 -1.67 -0.22 116.97 116.23 2qcx h TYR 139 Ca 0.08 0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.83 2qcx h TYR 139 Cb 0.60 -0.40 0.00 0.00 2.00 0.00 0.00 36.73 38.94 2qcx h TYR 139 CO 0.05 0.68 -0.12 -0.92 -0.00 0.00 0.00 178.16 177.85 2qcx h TYR 140 N 1.23 -0.32 -0.89 4.88 3.20 -1.29 -0.94 116.97 122.84 2qcx h TYR 140 Ca 0.39 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.27 2qcx h TYR 140 Cb 0.02 0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.35 2qcx h TYR 140 CO -0.00 -0.14 0.59 0.93 -1.64 0.00 0.00 178.16 177.90 2qcx h GLU 141 N -0.42 1.17 0.21 1.82 5.08 -0.89 0.39 114.58 121.94 2qcx h GLU 141 Ca -0.04 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 2qcx h GLU 141 Cb 0.32 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.31 2qcx h GLU 141 CO 0.06 0.77 -0.10 0.28 -1.00 0.00 0.00 179.01 179.02 2qcx h VAL 142 N 1.20 0.83 -0.90 3.13 2.07 -1.00 -1.47 116.25 120.12 2qcx h VAL 142 Ca 0.33 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.64 2qcx h VAL 142 Cb -0.13 0.95 -0.04 0.00 -1.52 0.00 0.00 31.29 30.55 2qcx h VAL 142 CO -0.07 0.05 0.52 1.23 0.02 0.00 0.00 177.57 179.31 2qcx h GLY 143 N -0.38 1.33 0.95 2.17 0.00 -0.64 -2.04 103.07 104.47 2qcx h GLY 143 Ca -0.03 -0.58 0.02 0.00 0.00 0.00 0.00 47.33 46.74 2qcx h GLY 143 CO 0.05 0.56 0.60 -2.09 0.00 0.00 0.00 176.54 175.66 2qcx h GLU 144 N 1.26 1.17 0.00 4.80 4.81 -0.20 -2.29 114.58 124.13 2qcx h GLU 144 Ca 0.32 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 59.43 2qcx h GLU 144 Cb -0.01 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.10 2qcx h GLU 144 CO -0.06 0.78 -0.25 0.87 -0.73 0.00 0.00 179.01 179.62 2qcx h LYS 145 N 1.21 0.00 -0.01 1.92 1.57 -0.58 -3.13 116.57 117.55 2qcx h LYS 145 Ca 0.35 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 2qcx h LYS 145 Cb -0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.23 2qcx h LYS 145 CO -0.09 0.25 -0.39 1.28 -0.57 0.00 0.00 179.45 179.92 2qcx n LEU 146 N -3.52 1.48 0.08 2.94 4.77 -0.89 -4.40 117.00 117.47 2qcx n LEU 146 Ca -0.01 -0.50 0.15 0.00 -0.03 0.00 0.00 56.01 55.63 2qcx n LEU 146 Cb 0.41 -0.06 0.65 0.00 -2.33 0.00 0.00 43.42 42.09 2qcx n LEU 146 CO 0.34 0.28 1.15 -0.07 -1.33 0.00 0.00 177.39 177.75 2qcx h LEU 147 N 1.71 0.04 -0.28 2.23 3.38 -1.37 -0.32 115.31 120.70 2qcx h LEU 147 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2qcx h LEU 147 Cb 0.62 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.37 2qcx h LEU 147 CO 0.00 0.02 -0.14 0.00 0.09 0.00 0.00 178.44 178.41 2qcx n HIS 148 N -4.44 0.00 -1.75 1.13 1.44 -1.26 -4.92 115.22 105.41 2qcx n HIS 148 Ca 0.05 0.00 -0.31 0.00 -2.01 0.00 0.00 57.72 55.45 2qcx n HIS 148 Cb 0.40 -0.18 0.03 0.00 0.12 0.00 0.00 29.99 30.36 2qcx n HIS 148 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2qcx n ASP 150 N -2.84 2.22 0.23 0.00 4.64 -1.25 -4.98 116.55 114.57 2qcx n ASP 150 Ca 0.07 -3.03 0.10 0.00 -1.38 0.00 0.00 54.79 50.55 2qcx n ASP 150 Cb 0.54 -0.70 0.53 0.00 -1.04 0.00 0.00 41.12 40.45 2qcx n ASP 150 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 2qcx h PRO 151 N 5.31 0.00 -0.63 -0.67 0.13 -1.80 -3.44 132.00 130.90 2qcx h PRO 151 Ca 0.18 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.16 2qcx h PRO 151 Cb 0.78 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.87 2qcx h PRO 151 CO 0.64 0.22 -0.16 0.41 -0.23 0.00 0.00 178.00 178.88 2qcx n GLY 152 N -0.17 0.61 2.89 1.56 0.00 -1.26 -3.85 105.19 104.97 2qcx n GLY 152 Ca -0.01 -0.66 -0.16 0.00 0.00 0.00 0.00 46.02 45.20 2qcx n GLY 152 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2qcx s HIS 153 N -2.31 -0.24 0.30 1.61 3.76 -1.26 -5.06 115.29 112.09 2qcx s HIS 153 Ca 0.00 0.69 0.05 0.00 -0.15 0.00 0.00 55.06 55.65 2qcx s HIS 153 Cb 0.00 -0.18 0.74 0.00 1.11 0.00 0.00 32.58 34.25 2qcx s HIS 153 CO 0.00 -0.28 1.75 -1.35 -0.85 0.00 0.00 174.74 174.01 2qcx h PRO 154 N 8.19 0.62 -0.89 8.40 0.11 -1.99 -0.90 132.00 145.54 2qcx h PRO 154 Ca -0.17 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.90 2qcx h PRO 154 Cb 1.12 -0.14 -0.04 0.00 0.11 0.00 0.00 31.00 32.05 2qcx h PRO 154 CO 0.18 0.41 0.55 0.97 -0.21 0.00 0.00 178.00 179.89 2qcx h ILE 155 N 0.63 1.24 -0.11 4.15 6.09 -1.97 -0.17 117.51 127.39 2qcx h ILE 155 Ca 0.57 -0.51 -0.18 0.00 -1.37 0.00 0.00 64.86 63.37 2qcx h ILE 155 Cb 0.96 -0.02 0.01 0.00 0.47 0.00 0.00 36.82 38.24 2qcx h ILE 155 CO -0.43 0.25 -0.63 1.88 -3.07 0.00 0.00 178.15 176.15 2qcx h TYR 156 N 1.22 0.84 -0.50 2.19 0.05 -1.57 -2.15 116.97 117.05 2qcx h TYR 156 Ca 0.32 -0.38 0.07 0.00 0.05 0.00 0.00 58.73 58.79 2qcx h TYR 156 Cb -0.07 -0.13 -0.06 0.00 1.01 0.00 0.00 36.73 37.48 2qcx h TYR 156 CO -0.00 1.19 0.16 1.96 -1.05 0.00 0.00 178.16 180.42 2qcx h GLN 157 N 0.26 0.32 -0.65 4.88 4.20 -1.10 -1.61 115.11 121.41 2qcx h GLN 157 Ca -0.05 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 2qcx h GLN 157 Cb 1.28 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.95 2qcx h GLN 157 CO 0.13 0.21 0.37 -0.22 -0.67 0.00 0.00 178.83 178.65 2qcx h LYS 158 N 0.33 0.90 -0.02 1.46 1.63 -1.02 0.48 116.57 120.33 2qcx h LYS 158 Ca 0.25 -0.10 0.01 0.00 -0.85 0.00 0.00 60.65 59.96 2qcx h LYS 158 Cb 0.28 -0.18 -0.01 0.00 -0.60 0.00 0.00 32.23 31.72 2qcx h LYS 158 CO -0.27 0.66 -0.04 2.35 -3.45 0.00 0.00 179.45 178.71 2qcx h TRP 159 N 0.88 -0.10 -0.27 1.91 7.01 -0.97 -0.98 115.95 123.43 2qcx h TRP 159 Ca 0.23 0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.23 2qcx h TRP 159 Cb 0.02 0.05 -0.01 0.00 -2.10 0.00 0.00 29.16 27.11 2qcx h TRP 159 CO -0.01 -0.06 0.13 0.82 -2.79 0.00 0.00 178.44 176.52 2qcx h ILE 160 N -0.06 1.15 0.00 2.65 2.04 -1.10 -2.69 117.51 119.50 2qcx h ILE 160 Ca 0.03 -0.42 -0.05 0.00 1.00 0.00 0.00 64.86 65.42 2qcx h ILE 160 Cb 0.09 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 2qcx h ILE 160 CO -0.06 0.15 -0.22 1.23 0.00 0.00 0.00 178.15 179.24 2qcx h GLY 161 N 0.30 0.00 0.48 5.37 0.00 -0.78 0.80 103.07 109.24 2qcx h GLY 161 Ca 0.09 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.41 2qcx h GLY 161 CO -0.01 0.00 -0.09 -0.84 0.00 0.00 0.00 176.54 175.60 2qcx h THR 162 N 0.00 0.89 0.00 4.70 2.02 -0.93 -2.65 112.91 116.94 2qcx h THR 162 Ca -0.00 -0.97 -0.13 0.00 0.77 0.00 0.00 66.41 66.08 2qcx h THR 162 Cb 0.44 1.42 -0.02 0.00 -1.74 0.00 0.00 68.15 68.25 2qcx h THR 162 CO 0.03 0.20 -0.92 1.88 0.37 0.00 0.00 175.52 177.08 2qcx h TYR 163 N -0.76 0.00 -0.01 3.16 0.05 -1.38 -3.20 116.97 114.83 2qcx h TYR 163 Ca -0.02 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.76 2qcx h TYR 163 Cb 0.51 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.25 2qcx h TYR 163 CO 0.07 0.51 -0.31 0.41 -1.05 0.00 0.00 178.16 177.79 2qcx n GLY 164 N 1.30 -0.82 3.82 3.88 0.00 0.27 -4.09 105.19 109.55 2qcx n GLY 164 Ca -0.03 -0.38 -0.30 0.00 0.00 0.00 0.00 46.02 45.31 2qcx n GLY 164 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qcx s GLY 165 N -2.65 1.64 0.18 -0.02 0.00 -1.00 -4.61 107.32 100.86 2qcx s GLY 165 Ca 0.21 -0.16 -0.13 0.00 0.00 0.00 0.00 44.72 44.64 2qcx s GLY 165 CO 0.57 0.22 1.81 -1.80 0.00 0.00 0.00 173.10 173.90 2qcx h ASP 166 N -0.89 0.72 -0.38 1.64 1.82 -1.88 -1.69 116.42 115.76 2qcx h ASP 166 Ca -0.46 -0.07 0.05 0.00 -0.39 0.00 0.00 57.03 56.17 2qcx h ASP 166 Cb 1.25 -0.18 -0.05 0.00 0.68 0.00 0.00 39.33 41.03 2qcx h ASP 166 CO 0.60 0.57 0.11 -0.25 -1.61 0.00 0.00 179.24 178.65 2qcx h TRP 167 N 0.80 0.18 -0.27 0.28 7.01 -1.94 -1.77 115.95 120.24 2qcx h TRP 167 Ca 0.21 0.02 -0.12 0.00 2.11 0.00 0.00 58.89 61.12 2qcx h TRP 167 Cb -0.01 -0.03 -0.01 0.00 -2.10 0.00 0.00 29.16 27.01 2qcx h TRP 167 CO -0.02 0.06 -0.31 0.35 -2.79 0.00 0.00 178.44 175.73 2qcx h PHE 168 N 0.25 0.66 -0.76 2.65 3.57 -1.71 -2.77 116.94 118.84 2qcx h PHE 168 Ca 0.18 -0.17 0.09 0.00 3.53 0.00 0.00 57.97 61.60 2qcx h PHE 168 Cb 0.18 -0.15 -0.07 0.00 2.79 0.00 0.00 35.95 38.70 2qcx h PHE 168 CO -0.17 0.82 0.42 -0.09 -2.23 0.00 0.00 178.31 177.06 2qcx h ARG 169 N 0.49 0.69 -0.20 1.11 2.43 -0.83 -1.98 114.38 116.09 2qcx h ARG 169 Ca 0.06 -0.04 -0.13 0.00 -0.81 0.00 0.00 59.98 59.06 2qcx h ARG 169 Cb 0.79 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.17 2qcx h ARG 169 CO 0.06 0.46 -0.42 1.96 -1.51 0.00 0.00 179.97 180.52 2qcx h GLN 170 N 0.71 0.48 0.03 0.20 4.20 -1.08 0.02 115.11 119.68 2qcx h GLN 170 Ca 0.36 -0.25 -0.00 0.00 0.06 0.00 0.00 58.65 58.82 2qcx h GLN 170 Cb 0.33 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.11 2qcx h GLN 170 CO -0.24 0.82 -0.01 1.96 -0.67 0.00 0.00 178.83 180.69 2qcx h GLN 171 N 0.40 -0.04 0.13 1.46 1.08 -1.23 -1.14 115.11 115.77 2qcx h GLN 171 Ca 0.03 0.00 0.02 0.00 -1.45 0.00 0.00 58.65 57.25 2qcx h GLN 171 Cb 0.91 0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 28.31 2qcx h GLN 171 CO 0.08 0.08 -0.36 0.28 -0.95 0.00 0.00 178.83 177.96 2qcx h VAL 172 N -0.15 0.26 -0.60 -0.54 2.07 -1.25 -2.51 116.25 113.52 2qcx h VAL 172 Ca -0.00 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.61 2qcx h VAL 172 Cb 0.13 0.26 -0.07 0.00 -1.52 0.00 0.00 31.29 30.09 2qcx h VAL 172 CO 0.01 0.00 0.21 -0.08 0.02 0.00 0.00 177.57 177.73 2qcx h GLU 173 N -0.59 0.37 -0.45 1.57 4.81 -0.93 0.75 114.58 120.11 2qcx h GLU 173 Ca 0.03 -0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.31 2qcx h GLU 173 Cb 0.62 -0.08 -0.06 0.00 0.63 0.00 0.00 28.75 29.85 2qcx h GLU 173 CO -0.20 0.25 0.08 1.49 -0.73 0.00 0.00 179.01 179.89 2qcx h GLU 174 N 0.38 0.21 -0.09 1.92 4.81 -1.12 -1.64 114.58 119.04 2qcx h GLU 174 Ca 0.31 -0.01 -0.15 0.00 -0.13 0.00 0.00 59.36 59.38 2qcx h GLU 174 Cb 0.39 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 2qcx h GLU 174 CO -0.32 0.14 -0.59 1.96 -0.73 0.00 0.00 179.01 179.47 2qcx h GLN 175 N 0.21 0.31 -0.15 1.92 1.08 -0.80 -1.78 115.11 115.89 2qcx h GLN 175 Ca 0.22 -0.20 -0.01 0.00 -1.45 0.00 0.00 58.65 57.21 2qcx h GLN 175 Cb 0.28 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.74 2qcx h GLN 175 CO -0.30 0.81 0.07 0.82 -0.95 0.00 0.00 178.83 179.28 2qcx h ILE 176 N 0.23 1.13 -0.74 2.54 2.04 -0.68 -0.72 117.51 121.31 2qcx h ILE 176 Ca -0.00 -0.38 -0.06 0.00 1.00 0.00 0.00 64.86 65.42 2qcx h ILE 176 Cb 1.10 1.10 -0.03 0.00 -0.74 0.00 0.00 36.82 38.25 2qcx h ILE 176 CO 0.10 0.12 0.23 0.78 0.00 0.00 0.00 178.15 179.38 2qcx h ASN 177 N 0.12 1.07 -0.41 1.72 2.35 -1.25 -1.73 115.58 117.45 2qcx h ASN 177 Ca 0.05 -0.21 -0.02 0.00 -0.55 0.00 0.00 56.30 55.57 2qcx h ASN 177 Cb 0.13 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.20 2qcx h ASN 177 CO -0.01 1.00 0.17 -0.09 -1.65 0.00 0.00 177.43 176.85 2qcx h ARG 178 N 1.09 0.61 -0.45 0.81 2.43 -1.26 -1.86 114.38 115.75 2qcx h ARG 178 Ca 0.24 -0.11 0.05 0.00 -0.81 0.00 0.00 59.98 59.35 2qcx h ARG 178 Cb 0.31 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 29.71 2qcx h ARG 178 CO -0.01 0.57 0.17 0.35 -1.51 0.00 0.00 179.97 179.55 2qcx h PHE 179 N 0.52 0.31 -0.56 2.20 3.57 -0.87 -1.58 116.94 120.54 2qcx h PHE 179 Ca 0.14 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.56 2qcx h PHE 179 Cb 0.18 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.83 2qcx h PHE 179 CO -0.00 0.12 -0.04 -0.44 -2.23 0.00 0.00 178.31 175.72 2qcx h ASP 180 N 0.36 1.00 -0.29 0.41 3.32 -1.18 -0.52 116.42 119.53 2qcx h ASP 180 Ca 0.21 -0.33 0.04 0.00 0.02 0.00 0.00 57.03 56.97 2qcx h ASP 180 Cb 0.19 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.43 2qcx h ASP 180 CO -0.20 1.09 0.07 -0.33 -1.72 0.00 0.00 179.24 178.14 2qcx h GLU 181 N 0.90 0.17 -0.35 3.56 5.08 -1.12 -1.62 114.58 121.21 2qcx h GLU 181 Ca 0.15 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.48 2qcx h GLU 181 Cb 0.60 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 2qcx h GLU 181 CO 0.04 0.11 0.13 -0.07 -1.00 0.00 0.00 179.01 178.22 2qcx h LEU 182 N 0.18 0.49 -0.73 1.33 3.38 -1.14 -2.95 115.31 115.87 2qcx h LEU 182 Ca 0.13 -0.18 0.03 0.00 0.09 0.00 0.00 57.88 57.96 2qcx h LEU 182 Cb 0.13 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.71 2qcx h LEU 182 CO -0.17 0.54 0.45 0.00 0.09 0.00 0.00 178.44 179.36 2qcx h ALA 183 N 0.97 0.95 0.00 1.53 0.00 -0.96 -1.45 119.26 120.31 2qcx h ALA 183 Ca 0.11 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2qcx h ALA 183 Cb 0.21 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 2qcx h ALA 183 CO -0.01 0.23 -0.09 0.93 0.00 0.00 0.00 179.25 180.31 2qcx h GLU 184 N 0.88 0.00 -0.44 0.00 5.08 -1.24 -2.69 114.58 116.18 2qcx h GLU 184 Ca 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 2qcx h GLU 184 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 2qcx h GLU 184 CO -0.12 0.09 0.00 0.09 -1.00 0.00 0.00 179.01 178.07 2qcx n ASN 185 N -4.06 3.43 -4.88 1.42 3.02 -0.72 -4.98 115.26 108.48 2qcx n ASN 185 Ca -0.03 -1.96 -0.28 0.00 -0.03 0.00 0.00 54.58 52.29 2qcx n ASN 185 Cb 0.18 -0.28 -0.04 0.00 -0.61 0.00 0.00 39.78 39.02 2qcx n ASN 185 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2qcx s SER 186 N -1.30 6.04 0.99 6.41 0.01 -0.63 -5.06 113.70 120.17 2qcx s SER 186 Ca 0.38 0.09 -0.11 0.00 1.31 0.00 0.00 55.95 57.62 2qcx s SER 186 Cb 0.21 -1.75 0.19 0.00 0.21 0.00 0.00 66.02 64.88 2qcx s SER 186 CO 0.29 0.09 1.09 0.42 0.41 0.00 0.00 173.24 175.54 2qcx s THR 187 N -1.66 2.23 0.36 1.44 -4.23 -1.26 -4.77 115.64 107.74 2qcx s THR 187 Ca 0.33 0.07 0.03 0.00 -1.18 0.00 0.00 61.69 60.95 2qcx s THR 187 Cb -0.11 -2.22 0.24 0.00 1.34 0.00 0.00 72.50 71.74 2qcx s THR 187 CO 0.26 -0.10 1.99 -0.33 -0.54 0.00 0.00 174.62 175.90 2qcx h GLU 188 N -2.04 0.72 -0.55 3.99 4.39 -1.99 -0.73 114.58 118.37 2qcx h GLU 188 Ca -0.51 -0.07 -0.08 0.00 0.34 0.00 0.00 59.36 59.04 2qcx h GLU 188 Cb 1.29 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.77 2qcx h GLU 188 CO 0.48 0.52 0.02 1.49 -1.16 0.00 0.00 179.01 180.36 2qcx h GLU 189 N 0.73 0.96 -0.34 2.33 4.81 -1.99 -1.19 114.58 119.88 2qcx h GLU 189 Ca 0.19 -0.29 -0.07 0.00 -0.13 0.00 0.00 59.36 59.06 2qcx h GLU 189 Cb 0.01 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 2qcx h GLU 189 CO -0.03 0.95 -0.06 0.28 -0.73 0.00 0.00 179.01 179.42 2qcx h VAL 190 N 0.84 1.27 -0.66 0.32 2.07 -1.84 -2.57 116.25 115.68 2qcx h VAL 190 Ca 0.16 -1.10 0.04 0.00 0.82 0.00 0.00 66.70 66.62 2qcx h VAL 190 Cb 0.50 1.29 -0.05 0.00 -1.52 0.00 0.00 31.29 31.52 2qcx h VAL 190 CO 0.02 0.36 0.39 0.03 0.02 0.00 0.00 177.57 178.40 2qcx h ARG 191 N 0.44 0.73 -0.98 1.57 3.08 -1.03 0.95 114.38 119.13 2qcx h ARG 191 Ca 0.09 -0.04 0.04 0.00 0.07 0.00 0.00 59.98 60.13 2qcx h ARG 191 Cb 0.55 -0.16 -0.06 0.00 0.08 0.00 0.00 29.97 30.38 2qcx h ARG 191 CO 0.03 0.48 0.65 0.00 -1.07 0.00 0.00 179.97 180.06 2qcx h ALA 192 N 1.31 1.36 -0.21 0.04 0.00 -1.17 -0.66 119.26 119.93 2qcx h ALA 192 Ca 0.28 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.99 2qcx h ALA 192 Cb 0.10 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 2qcx h ALA 192 CO -0.14 0.54 -0.49 -0.22 0.00 0.00 0.00 179.25 178.94 2qcx h LYS 193 N 1.24 0.57 -0.08 0.00 3.11 -0.91 -1.39 116.57 119.12 2qcx h LYS 193 Ca 0.39 -0.33 -0.00 0.00 -2.81 0.00 0.00 60.65 57.90 2qcx h LYS 193 Cb 0.01 0.03 -0.00 0.00 -1.00 0.00 0.00 32.23 31.27 2qcx h LYS 193 CO -0.12 0.94 0.04 0.52 -2.81 0.00 0.00 179.45 178.01 2qcx h MET 194 N 0.45 0.11 -0.19 1.90 2.86 -0.35 -0.13 114.93 119.60 2qcx h MET 194 Ca 0.02 -0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.66 2qcx h MET 194 Cb 1.02 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.64 2qcx h MET 194 CO 0.09 0.16 0.08 -0.22 1.06 0.00 0.00 176.91 178.08 2qcx h LYS 195 N 0.03 0.17 -0.23 1.72 3.64 -1.11 -0.02 116.57 120.77 2qcx h LYS 195 Ca 0.03 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.43 2qcx h LYS 195 Cb 0.09 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.84 2qcx h LYS 195 CO -0.00 0.11 0.03 1.49 -2.27 0.00 0.00 179.45 178.81 2qcx h GLU 196 N 0.17 0.11 -0.93 1.90 4.81 -1.14 -0.46 114.58 119.05 2qcx h GLU 196 Ca 0.08 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.32 2qcx h GLU 196 Cb 0.03 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.34 2qcx h GLU 196 CO -0.07 0.07 0.61 -0.91 -0.73 0.00 0.00 179.01 177.99 2qcx h ASN 197 N 0.12 1.05 -0.08 1.04 -0.26 -0.70 -0.25 115.58 116.50 2qcx h ASN 197 Ca 0.11 -0.02 -0.00 0.00 -0.56 0.00 0.00 56.30 55.82 2qcx h ASN 197 Cb 0.11 -0.26 -0.00 0.00 -1.06 0.00 0.00 38.32 37.11 2qcx h ASN 197 CO -0.15 0.75 0.03 0.15 -1.06 0.00 0.00 177.43 177.15 2qcx h PHE 198 N 1.24 0.12 -0.58 1.19 3.04 -0.56 -1.54 116.94 119.85 2qcx h PHE 198 Ca 0.35 -0.01 -0.05 0.00 3.98 0.00 0.00 57.97 62.24 2qcx h PHE 198 Cb -0.11 -0.04 -0.02 0.00 2.56 0.00 0.00 35.95 38.34 2qcx h PHE 198 CO -0.01 0.22 0.15 0.28 -2.02 0.00 0.00 178.31 176.93 2qcx h VAL 199 N -0.02 1.25 -0.46 1.41 2.07 -0.88 -1.88 116.25 117.74 2qcx h VAL 199 Ca 0.03 -0.88 -0.02 0.00 0.82 0.00 0.00 66.70 66.65 2qcx h VAL 199 Cb 0.15 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 2qcx h VAL 199 CO -0.00 0.33 0.22 0.40 0.02 0.00 0.00 177.57 178.54 2qcx h ILE 200 N 0.84 1.19 -0.28 4.57 2.04 -1.02 -0.88 117.51 123.96 2qcx h ILE 200 Ca 0.18 -0.53 -0.05 0.00 1.00 0.00 0.00 64.86 65.47 2qcx h ILE 200 Cb 0.33 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 2qcx h ILE 200 CO -0.00 0.21 -0.03 0.28 0.00 0.00 0.00 178.15 178.61 2qcx h SER 201 N 0.61 0.40 -0.37 1.72 0.02 -1.17 -1.50 113.55 113.26 2qcx h SER 201 Ca 0.16 -0.07 -0.04 0.00 -0.84 0.00 0.00 61.79 61.00 2qcx h SER 201 Cb 0.12 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 2qcx h SER 201 CO -0.02 0.48 0.06 0.28 -1.14 0.00 0.00 176.83 176.50 2qcx h SER 202 N 0.41 0.58 -0.01 3.07 0.02 -0.91 -0.93 113.55 115.77 2qcx h SER 202 Ca 0.09 -0.26 0.03 0.00 -0.84 0.00 0.00 61.79 60.81 2qcx h SER 202 Cb 0.31 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.66 2qcx h SER 202 CO 0.01 0.69 -0.19 0.22 -1.14 0.00 0.00 176.83 176.42 2qcx h TYR 203 N 0.45 -0.50 -0.73 3.45 3.20 -0.85 -1.29 116.97 120.69 2qcx h TYR 203 Ca 0.11 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.97 2qcx h TYR 203 Cb 0.35 0.22 -0.03 0.00 1.54 0.00 0.00 36.73 38.81 2qcx h TYR 203 CO 0.02 -0.27 0.34 1.88 -1.64 0.00 0.00 178.16 178.49 2qcx h TYR 204 N -0.30 1.06 -0.58 -3.82 0.05 -1.16 0.01 116.97 112.22 2qcx h TYR 204 Ca 0.06 -0.05 0.03 0.00 0.05 0.00 0.00 58.73 58.82 2qcx h TYR 204 Cb 0.38 -0.33 -0.04 0.00 1.01 0.00 0.00 36.73 37.76 2qcx h TYR 204 CO -0.24 0.78 0.35 0.93 -1.05 0.00 0.00 178.16 178.93 2qcx h GLU 205 N 1.05 0.68 -0.41 4.88 4.39 -1.01 0.84 114.58 124.99 2qcx h GLU 205 Ca 0.25 -0.04 0.02 0.00 0.34 0.00 0.00 59.36 59.94 2qcx h GLU 205 Cb 0.13 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 28.60 2qcx h GLU 205 CO -0.03 0.45 0.23 -0.92 -1.16 0.00 0.00 179.01 177.57 2qcx h TYR 206 N 0.70 0.42 0.00 4.33 3.20 -0.49 -2.84 116.97 122.29 2qcx h TYR 206 Ca 0.23 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.07 2qcx h TYR 206 Cb 0.02 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.16 2qcx h TYR 206 CO -0.06 0.23 -0.21 1.96 -1.64 0.00 0.00 178.16 178.44 2qcx h GLN 207 N 0.46 0.00 -0.52 1.82 1.08 -0.56 -2.95 115.11 114.44 2qcx h GLN 207 Ca 0.17 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.27 2qcx h GLN 207 Cb 0.04 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.45 2qcx h GLN 207 CO -0.10 0.21 -0.06 0.35 -0.95 0.00 0.00 178.83 178.29 2qcx h PHE 208 N 0.00 1.01 -0.59 2.96 3.04 -0.60 0.19 116.94 122.95 2qcx h PHE 208 Ca -0.00 -0.18 -0.01 0.00 3.98 0.00 0.00 57.97 61.76 2qcx h PHE 208 Cb 0.43 -0.26 -0.03 0.00 2.56 0.00 0.00 35.95 38.65 2qcx h PHE 208 CO 0.00 0.94 0.34 -1.49 -2.02 0.00 0.00 178.31 176.07 2qcx h TRP 209 N 0.84 0.80 -0.32 0.41 -0.00 -1.42 -2.44 115.95 113.81 2qcx h TRP 209 Ca 0.14 -0.01 -0.14 0.00 -0.00 0.00 0.00 58.89 58.88 2qcx h TRP 209 Cb 0.58 -0.26 -0.00 0.00 -0.00 0.00 0.00 29.16 29.48 2qcx h TRP 209 CO 0.04 0.56 -0.35 0.78 -0.00 0.00 0.00 178.44 179.47 2qcx h GLY 210 N 0.80 0.87 -0.25 1.49 0.00 -1.49 -1.12 103.07 103.37 2qcx h GLY 210 Ca 0.21 -0.91 0.13 0.00 0.00 0.00 0.00 47.33 46.76 2qcx h GLY 210 CO -0.04 0.82 -0.14 1.98 0.00 0.00 0.00 176.54 179.17 2qcx h MET 211 N 0.57 0.01 -0.41 4.80 1.85 -0.62 -0.18 114.93 120.95 2qcx h MET 211 Ca 0.05 -0.00 -0.15 0.00 -0.61 0.00 0.00 59.70 58.98 2qcx h MET 211 Cb 0.93 -0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.95 2qcx h MET 211 CO 0.09 0.01 -0.34 0.00 -0.40 0.00 0.00 176.91 176.26 2qcx h ALA 212 N 1.63 0.60 -0.59 0.39 0.00 -1.34 0.17 119.26 120.12 2qcx h ALA 212 Ca 0.31 -0.44 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 2qcx h ALA 212 Cb 0.48 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 2qcx h ALA 212 CO -0.64 0.67 0.18 -0.92 0.00 0.00 0.00 179.25 178.55 2qcx h TYR 213 N 0.79 0.90 -0.00 0.00 3.20 -0.62 -2.22 116.97 119.01 2qcx h TYR 213 Ca 0.07 -0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2qcx h TYR 213 Cb 0.93 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.94 2qcx h TYR 213 CO 0.06 0.72 -0.35 0.54 -1.64 0.00 0.00 178.16 177.49 2qcx n ARG 214 N -4.29 0.32 -3.88 1.82 1.74 -0.13 -4.96 116.66 107.28 2qcx n ARG 214 Ca 0.05 -0.17 -0.27 0.00 -0.77 0.00 0.00 57.85 56.69 2qcx n ARG 214 Cb 0.20 -1.50 -0.00 0.00 -1.02 0.00 0.00 32.46 30.14 2qcx n ARG 214 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2qcx n LYS 215 N -1.19 -2.92 -1.57 5.56 5.02 -0.36 -4.82 118.16 117.88 2qcx n LYS 215 Ca 0.08 0.42 -0.51 0.00 -2.02 0.00 0.00 58.31 56.29 2qcx n LYS 215 Cb 0.33 -4.44 -0.05 0.00 -0.02 0.00 0.00 35.03 30.85 2qcx n LYS 215 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2qcx n GLU 216 N -4.36 1.05 -3.86 1.97 2.13 0.46 -5.02 120.64 113.00 2qcx n GLU 216 Ca -0.26 0.38 -0.24 0.00 0.66 0.00 0.00 57.16 57.69 2qcx n GLU 216 Cb 0.66 -1.92 -0.04 0.00 0.27 0.00 0.00 31.44 30.42 2qcx n GLU 216 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2qcx n GLY 217 N 2.18 3.49 0.07 8.31 0.00 -1.26 -4.76 105.19 113.22 2qcx n GLY 217 Ca 0.17 -2.32 -0.07 0.00 0.00 0.00 0.00 46.02 43.80 2qcx n GLY 217 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 2qcx h TRP 218 N 1.06 0.00 -0.00 1.61 4.06 -1.95 -3.32 115.95 117.40 2qcx h TRP 218 Ca -0.31 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.64 2qcx h TRP 218 Cb 0.98 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.14 2qcx h TRP 218 CO 0.00 0.96 -0.02 0.43 -3.56 0.00 0.00 178.44 176.25 2qcx n SER 219 N -3.24 0.31 0.00 -3.49 7.64 -1.26 -5.06 113.62 108.53 2qcx n SER 219 Ca -0.05 -0.89 0.00 0.00 1.01 0.00 0.00 58.87 58.94 2qcx n SER 219 Cb 0.96 -0.05 0.02 0.00 -1.01 0.00 0.00 64.21 64.13 2qcx n SER 219 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50