#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbf n LEU 9 N 0.00 0.00 0.20 3.17 7.94 -1.26 -1.51 117.00 125.54 2qbf n LEU 9 Ca 0.00 0.00 0.10 0.00 -1.11 0.00 0.00 56.01 55.00 2qbf n LEU 9 Cb 0.00 0.00 0.54 0.00 0.53 0.00 0.00 43.42 44.49 2qbf n LEU 9 CO 0.00 0.00 0.88 0.11 -1.11 0.00 0.00 177.39 177.27 2qbf h LYS 10 N 0.00 0.00 -0.67 1.96 6.56 -2.03 -0.43 116.57 121.95 2qbf h LYS 10 Ca 0.00 0.00 0.08 0.00 -1.06 0.00 0.00 60.65 59.67 2qbf h LYS 10 Cb 0.00 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 31.62 2qbf h LYS 10 CO 0.00 0.00 0.44 0.00 -2.06 0.00 0.00 179.45 177.83 2qbf h ALA 11 N 1.49 1.83 0.00 3.86 0.00 -1.72 -0.12 119.26 124.59 2qbf h ALA 11 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2qbf h ALA 11 Cb 0.41 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2qbf h ALA 11 CO 0.00 0.05 0.00 0.41 0.00 0.00 0.00 179.25 179.71 2qbf n GLY 12 N -1.47 -0.20 2.89 0.00 0.00 -0.17 -3.25 105.19 102.98 2qbf n GLY 12 Ca 0.10 -0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.85 2qbf n GLY 12 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2qbf n VAL 13 N -0.51 3.06 0.00 1.61 0.31 -0.06 -4.68 118.33 118.06 2qbf n VAL 13 Ca 0.00 -5.52 0.00 0.00 -0.01 0.00 0.00 64.34 58.81 2qbf n VAL 13 Cb 0.00 -1.39 0.00 0.00 -0.91 0.00 0.00 33.84 31.54 2qbf n VAL 13 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2qbf n HIS 14 N -0.27 0.00 0.00 3.52 1.44 -1.20 -4.49 115.22 114.22 2qbf n HIS 14 Ca 0.32 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 56.03 2qbf n HIS 14 Cb 0.42 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.53 2qbf n HIS 14 CO 0.00 0.00 0.00 1.97 -2.81 0.00 0.00 176.34 175.50 2qbf n PHE 15 N -0.46 0.00 0.00 -1.40 1.16 -1.26 -4.69 117.46 110.81 2qbf n PHE 15 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 2qbf n PHE 15 Cb 0.00 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 37.87 2qbf n PHE 15 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2qbf n GLY 16 N 0.00 -1.86 3.59 4.97 0.00 -1.26 -3.90 105.19 106.73 2qbf n GLY 16 Ca 0.00 -1.24 0.03 0.00 0.00 0.00 0.00 46.02 44.82 2qbf n GLY 16 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2qbf s HIS 17 N 0.00 -0.01 0.22 1.61 2.46 -1.16 -4.51 115.29 113.89 2qbf s HIS 17 Ca 0.00 -0.02 0.00 0.00 0.47 0.00 0.00 55.06 55.51 2qbf s HIS 17 Cb 0.00 0.51 0.00 0.00 -0.13 0.00 0.00 32.58 32.96 2qbf s HIS 17 CO 0.00 -0.08 0.00 1.04 -2.47 0.00 0.00 174.74 173.23 2qbf n GLN 18 N -0.51 -5.44 0.00 2.88 3.00 -1.26 -4.44 117.38 111.61 2qbf n GLN 18 Ca -0.09 3.87 0.00 0.00 -0.01 0.00 0.00 57.00 60.77 2qbf n GLN 18 Cb 0.63 -4.15 0.00 0.00 0.00 0.00 0.00 30.24 26.72 2qbf n GLN 18 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.06 174.69 2qbf n THR 19 N 1.72 0.00 -0.63 5.09 5.66 -1.26 -3.77 114.28 121.09 2qbf n THR 19 Ca 0.00 0.34 0.00 0.00 -3.05 0.00 0.00 64.05 61.34 2qbf n THR 19 Cb 0.00 -1.06 0.00 0.00 -1.55 0.00 0.00 70.33 67.72 2qbf n THR 19 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2qbf n ARG 20 N 0.00 -0.01 -0.29 1.09 5.12 -1.22 -2.83 116.66 118.52 2qbf n ARG 20 Ca 0.00 -0.35 -0.05 0.00 -1.93 0.00 0.00 57.85 55.52 2qbf n ARG 20 Cb 0.00 -0.68 0.07 0.00 -1.16 0.00 0.00 32.46 30.68 2qbf n ARG 20 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 2qbf h TYR 21 N 0.00 1.12 0.00 -1.55 0.05 -1.93 -3.47 116.97 111.20 2qbf h TYR 21 Ca 0.00 -0.05 0.00 0.00 0.05 0.00 0.00 58.73 58.73 2qbf h TYR 21 Cb 0.44 -0.35 0.00 0.00 1.01 0.00 0.00 36.73 37.83 2qbf h TYR 21 CO 0.00 0.81 0.00 -2.67 -1.05 0.00 0.00 178.16 175.25 2qbf n TRP 22 N -4.38 0.00 -3.51 4.88 4.27 -1.26 -4.83 117.44 112.61 2qbf n TRP 22 Ca 0.07 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.69 2qbf n TRP 22 Cb 0.12 0.00 -0.03 0.00 -1.36 0.00 0.00 31.31 30.04 2qbf n TRP 22 CO 0.00 0.00 0.00 1.21 -2.29 0.00 0.00 177.69 176.61 2qbf s ASN 23 N -1.40 -1.15 0.62 -0.67 3.04 -0.78 -4.01 114.94 110.59 2qbf s ASN 23 Ca 0.00 1.34 0.11 0.00 0.04 0.00 0.00 52.86 54.35 2qbf s ASN 23 Cb 0.00 2.21 0.60 0.00 -1.54 0.00 0.00 41.25 42.52 2qbf s ASN 23 CO 0.00 -0.22 1.31 -0.65 -3.04 0.00 0.00 177.10 174.51 2qbf h PRO 24 N 7.96 0.00 -0.01 0.43 0.11 -1.90 0.36 132.00 138.95 2qbf h PRO 24 Ca -0.19 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.74 2qbf h PRO 24 Cb 1.12 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 2qbf h PRO 24 CO 0.13 0.00 -0.82 0.87 -0.21 0.00 0.00 178.00 177.97 2qbf h LYS 25 N 0.00 0.19 -0.00 1.05 1.57 -1.89 -3.08 116.57 114.41 2qbf h LYS 25 Ca 0.00 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 2qbf h LYS 25 Cb 1.43 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.79 2qbf h LYS 25 CO 0.00 0.91 -0.05 -1.33 -0.57 0.00 0.00 179.45 178.41 2qbf n MET 26 N -3.70 0.48 -0.27 3.15 2.81 0.13 -4.11 117.12 115.62 2qbf n MET 26 Ca -0.03 -0.07 0.08 0.00 -1.81 0.00 0.00 57.70 55.86 2qbf n MET 26 Cb 0.77 -1.50 0.22 0.00 -0.71 0.00 0.00 33.22 32.00 2qbf n MET 26 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 2qbf h LYS 27 N 0.18 0.32 0.00 0.03 3.11 -1.55 0.12 116.57 118.78 2qbf h LYS 27 Ca 0.00 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.82 2qbf h LYS 27 Cb 0.32 -0.07 0.00 0.00 -1.00 0.00 0.00 32.23 31.48 2qbf h LYS 27 CO 0.00 0.21 0.00 -2.30 -2.81 0.00 0.00 179.45 174.55 2qbf n PRO 28 N -5.10 0.08 -0.03 1.90 -0.02 -1.26 -1.43 135.00 129.14 2qbf n PRO 28 Ca 0.17 0.54 0.05 0.00 -2.02 0.00 0.00 63.50 62.24 2qbf n PRO 28 Cb 0.52 -1.74 0.06 0.00 -0.02 0.00 0.00 33.50 32.31 2qbf n PRO 28 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2qbf n PHE 29 N -1.91 0.07 -3.46 6.00 3.72 0.39 -5.01 117.46 117.27 2qbf n PHE 29 Ca -0.00 -0.08 -0.32 0.00 -0.05 0.00 0.00 57.45 56.99 2qbf n PHE 29 Cb 0.04 -0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.53 2qbf n PHE 29 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 2qbf s ILE 30 N -0.87 4.97 0.00 4.37 1.01 -0.51 -0.63 121.20 129.54 2qbf s ILE 30 Ca 0.13 0.43 0.00 0.00 0.00 0.00 0.00 60.65 61.22 2qbf s ILE 30 Cb 0.09 -3.63 0.00 0.00 0.01 0.00 0.00 42.46 38.93 2qbf s ILE 30 CO 0.13 -0.02 0.00 0.33 0.00 0.00 0.00 174.94 175.38 2qbf n PHE 31 N 0.01 0.00 -3.27 3.97 7.35 0.16 -4.38 117.46 121.29 2qbf n PHE 31 Ca -0.01 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.68 2qbf n PHE 31 Cb 0.52 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.35 2qbf n PHE 31 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2qbf n GLY 32 N 1.97 4.93 3.14 7.13 0.00 -1.15 -4.95 105.19 116.27 2qbf n GLY 32 Ca 0.00 -1.51 0.03 0.00 0.00 0.00 0.00 46.02 44.54 2qbf n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qbf s ALA 33 N -2.00 -2.73 -0.06 4.61 0.00 -1.25 0.11 121.76 120.44 2qbf s ALA 33 Ca 0.00 0.81 -0.04 0.00 0.00 0.00 0.00 51.96 52.73 2qbf s ALA 33 Cb 0.00 -2.68 -0.04 0.00 0.00 0.00 0.00 23.12 20.40 2qbf s ALA 33 CO 0.00 -2.05 0.14 -0.98 0.00 0.00 0.00 175.76 172.87 2qbf s ARG 34 N 2.43 3.36 -1.28 0.00 1.70 -0.82 -4.51 118.95 119.83 2qbf s ARG 34 Ca 0.14 -0.26 -0.01 0.00 -0.47 0.00 0.00 55.73 55.13 2qbf s ARG 34 Cb -0.06 -3.09 -0.00 0.00 -0.57 0.00 0.00 34.95 31.23 2qbf s ARG 34 CO -0.18 0.72 0.75 0.09 -1.08 0.00 0.00 175.30 175.60 2qbf n ASN 35 N 1.50 -1.47 -3.35 -2.89 4.13 -1.26 -2.71 115.26 109.21 2qbf n ASN 35 Ca -0.16 -0.79 -0.23 0.00 1.68 0.00 0.00 54.58 55.08 2qbf n ASN 35 Cb 0.54 -4.24 0.06 0.00 -1.54 0.00 0.00 39.78 34.60 2qbf n ASN 35 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 2qbf n LYS 36 N -4.22 -6.67 -3.67 3.52 5.02 -1.26 -5.00 118.16 105.87 2qbf n LYS 36 Ca -0.29 0.87 -0.08 0.00 -2.02 0.00 0.00 58.31 56.78 2qbf n LYS 36 Cb 0.67 -5.85 -0.09 0.00 -0.02 0.00 0.00 35.03 29.75 2qbf n LYS 36 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2qbf s VAL 37 N -3.26 -0.31 0.52 -0.18 0.11 -1.10 -3.40 120.40 112.77 2qbf s VAL 37 Ca 0.47 0.10 -0.20 0.00 -2.93 0.00 0.00 61.98 59.41 2qbf s VAL 37 Cb -0.21 -0.72 -0.06 0.00 -1.53 0.00 0.00 36.38 33.86 2qbf s VAL 37 CO 0.58 0.04 1.14 -1.00 -3.33 0.00 0.00 175.10 172.52 2qbf s HIS 38 N 1.97 2.73 -0.19 1.54 3.76 -1.13 -1.95 115.29 122.03 2qbf s HIS 38 Ca -0.07 1.54 0.01 0.00 -0.15 0.00 0.00 55.06 56.40 2qbf s HIS 38 Cb -0.09 -3.31 0.03 0.00 1.11 0.00 0.00 32.58 30.32 2qbf s HIS 38 CO -0.14 -1.54 -0.14 0.42 -0.85 0.00 0.00 174.74 172.49 2qbf s ILE 39 N -1.71 1.79 0.06 0.60 -1.09 0.31 -3.01 121.20 118.15 2qbf s ILE 39 Ca 0.70 -0.95 -0.35 0.00 -2.23 0.00 0.00 60.65 57.81 2qbf s ILE 39 Cb -0.25 -1.75 -0.15 0.00 -1.58 0.00 0.00 42.46 38.73 2qbf s ILE 39 CO 0.29 0.33 1.56 -0.38 -1.23 0.00 0.00 174.94 175.50 2qbf n ILE 40 N 4.66 0.11 -2.26 2.92 5.41 -1.26 0.36 119.36 129.30 2qbf n ILE 40 Ca -0.17 -0.02 -0.40 0.00 1.00 0.00 0.00 62.75 63.16 2qbf n ILE 40 Cb 0.48 -1.32 -0.03 0.00 -0.71 0.00 0.00 39.64 38.06 2qbf n ILE 40 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 2qbf s ASN 41 N 1.46 5.80 0.57 4.38 2.47 0.20 -4.54 114.94 125.28 2qbf s ASN 41 Ca 0.84 0.24 0.26 0.00 0.42 0.00 0.00 52.86 54.63 2qbf s ASN 41 Cb -0.81 -2.54 1.62 0.00 -1.45 0.00 0.00 41.25 38.07 2qbf s ASN 41 CO 0.45 -1.98 2.17 -0.07 -3.72 0.00 0.00 177.10 173.95 2qbf h LEU 42 N 14.36 0.00 -1.23 3.21 3.38 -1.89 -1.52 115.31 131.62 2qbf h LEU 42 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 2qbf h LEU 42 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 2qbf h LEU 42 CO 1.20 0.00 0.55 -0.33 0.09 0.00 0.00 178.44 179.95 2qbf h GLU 43 N 0.00 0.00 0.00 1.13 5.08 -1.96 0.20 114.58 119.03 2qbf h GLU 43 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2qbf h GLU 43 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 2qbf h GLU 43 CO -0.00 0.00 -0.21 1.17 -1.00 0.00 0.00 179.01 178.97 2qbf n LYS 44 N -2.67 3.30 0.05 2.33 4.81 -0.72 -4.61 118.16 120.64 2qbf n LYS 44 Ca -0.01 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.41 2qbf n LYS 44 Cb 0.58 -0.46 -0.01 0.00 0.02 0.00 0.00 35.03 35.16 2qbf n LYS 44 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 2qbf h THR 45 N 0.00 0.00 -0.92 3.15 2.02 0.34 -0.61 112.91 116.88 2qbf h THR 45 Ca 0.00 -0.02 0.06 0.00 0.77 0.00 0.00 66.41 67.22 2qbf h THR 45 Cb 0.00 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 66.35 2qbf h THR 45 CO 0.00 0.00 0.60 1.62 0.37 0.00 0.00 175.52 178.11 2qbf h VAL 46 N -0.15 1.09 -0.70 3.16 3.04 -1.72 0.84 116.25 121.82 2qbf h VAL 46 Ca -0.01 -0.37 -0.00 0.00 -1.01 0.00 0.00 66.70 65.30 2qbf h VAL 46 Cb 0.10 -0.08 -0.03 0.00 -2.01 0.00 0.00 31.29 29.26 2qbf h VAL 46 CO 0.02 0.20 0.43 -0.65 -1.01 0.00 0.00 177.57 176.55 2qbf h PRO 47 N 1.08 0.93 -0.06 4.17 0.11 -1.72 -0.83 132.00 135.69 2qbf h PRO 47 Ca 0.39 -0.07 -0.15 0.00 0.11 0.00 0.00 66.00 66.27 2qbf h PRO 47 Cb 0.15 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.05 2qbf h PRO 47 CO -0.14 0.65 -0.64 0.52 -0.21 0.00 0.00 178.00 178.17 2qbf h MET 48 N 0.95 0.22 -0.02 1.05 2.86 0.17 -3.26 114.93 116.91 2qbf h MET 48 Ca 0.25 -0.16 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 2qbf h MET 48 Cb -0.05 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.63 2qbf h MET 48 CO -0.05 0.79 -0.02 0.74 1.06 0.00 0.00 176.91 179.43 2qbf h PHE 49 N 0.16 -0.07 0.05 -0.22 0.04 0.63 -2.40 116.94 115.13 2qbf h PHE 49 Ca -0.01 0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.78 2qbf h PHE 49 Cb 1.16 0.03 -0.03 0.00 2.20 0.00 0.00 35.95 39.31 2qbf h PHE 49 CO 0.02 -0.02 -0.20 -2.95 -0.60 0.00 0.00 178.31 174.57 2qbf h ASN 50 N -0.02 -0.56 -0.99 2.17 -1.07 -1.67 -0.63 115.58 112.81 2qbf h ASN 50 Ca 0.00 0.07 0.37 0.00 0.07 0.00 0.00 56.30 56.81 2qbf h ASN 50 Cb 0.02 0.22 -0.17 0.00 -2.07 0.00 0.00 38.32 36.33 2qbf h ASN 50 CO -0.03 -0.27 0.46 -0.08 0.07 0.00 0.00 177.43 177.59 2qbf h GLU 51 N -0.34 0.09 0.00 4.14 4.22 -1.57 0.35 114.58 121.47 2qbf h GLU 51 Ca 0.04 -0.01 -0.09 0.00 0.08 0.00 0.00 59.36 59.39 2qbf h GLU 51 Cb 0.39 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 2qbf h GLU 51 CO -0.15 0.06 -0.55 0.00 -2.18 0.00 0.00 179.01 176.19 2qbf h ALA 52 N 1.95 0.11 -1.03 2.92 0.00 -1.13 -3.33 119.26 118.75 2qbf h ALA 52 Ca 0.77 -0.74 0.26 0.00 0.00 0.00 0.00 54.91 55.20 2qbf h ALA 52 Cb 1.91 0.34 -0.10 0.00 0.00 0.00 0.00 17.79 19.94 2qbf h ALA 52 CO -0.75 0.33 0.65 1.25 0.00 0.00 0.00 179.25 180.73 2qbf h LEU 53 N -1.00 0.52 -0.44 0.00 5.85 0.09 0.14 115.31 120.46 2qbf h LEU 53 Ca -0.14 0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 2qbf h LEU 53 Cb 0.98 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.00 2qbf h LEU 53 CO -0.08 0.10 0.20 0.00 -0.34 0.00 0.00 178.44 178.32 2qbf h ALA 54 N 1.65 0.57 -0.75 1.25 0.00 -0.50 -2.85 119.26 118.63 2qbf h ALA 54 Ca 0.60 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.41 2qbf h ALA 54 Cb 1.41 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.98 2qbf h ALA 54 CO -0.34 0.15 0.48 0.93 0.00 0.00 0.00 179.25 180.47 2qbf h GLU 55 N 0.57 0.94 0.36 0.00 4.39 -0.84 -0.86 114.58 119.15 2qbf h GLU 55 Ca 0.15 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.79 2qbf h GLU 55 Cb 0.14 -0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 28.55 2qbf h GLU 55 CO -0.02 0.62 -0.43 -0.07 -1.16 0.00 0.00 179.01 177.95 2qbf h LEU 56 N 0.96 -1.19 -1.46 1.33 4.07 -1.22 -1.85 115.31 115.94 2qbf h LEU 56 Ca 0.29 0.11 0.04 0.00 0.08 0.00 0.00 57.88 58.40 2qbf h LEU 56 Cb -0.05 0.41 -0.04 0.00 1.08 0.00 0.00 40.66 42.07 2qbf h LEU 56 CO -0.09 -0.57 0.41 -1.13 -1.08 0.00 0.00 178.44 175.98 2qbf h ASN 57 N -0.83 0.59 -0.51 -0.43 -0.73 -1.38 0.15 115.58 112.44 2qbf h ASN 57 Ca -0.03 -0.00 0.10 0.00 1.87 0.00 0.00 56.30 58.24 2qbf h ASN 57 Cb 0.76 -0.13 -0.10 0.00 0.27 0.00 0.00 38.32 39.11 2qbf h ASN 57 CO -0.10 0.40 -0.22 0.50 -0.37 0.00 0.00 177.43 177.64 2qbf h LYS 58 N 0.68 -0.10 0.00 6.67 3.11 -0.32 -0.38 116.57 126.24 2qbf h LYS 58 Ca 0.25 0.01 -0.06 0.00 -2.81 0.00 0.00 60.65 58.04 2qbf h LYS 58 Cb 0.14 0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 31.39 2qbf h LYS 58 CO -0.07 -0.07 -0.89 -0.84 -2.81 0.00 0.00 179.45 174.77 2qbf h ILE 59 N -0.11 0.26 -0.30 2.00 -0.00 -1.11 -3.31 117.51 114.95 2qbf h ILE 59 Ca 0.24 -1.45 -0.00 0.00 -0.00 0.00 0.00 64.86 63.64 2qbf h ILE 59 Cb 0.48 1.86 -0.02 0.00 -0.00 0.00 0.00 36.82 39.14 2qbf h ILE 59 CO -0.58 0.15 0.18 0.00 -0.00 0.00 0.00 178.15 177.90 2qbf h ALA 60 N 1.77 1.76 -0.97 0.16 0.00 0.58 -2.17 119.26 120.39 2qbf h ALA 60 Ca -0.05 -0.03 0.20 0.00 0.00 0.00 0.00 54.91 55.03 2qbf h ALA 60 Cb 1.22 -0.12 -0.09 0.00 0.00 0.00 0.00 17.79 18.80 2qbf h ALA 60 CO 0.02 0.22 0.61 0.66 0.00 0.00 0.00 179.25 180.76 2qbf h SER 61 N 0.41 0.62 -0.38 0.00 4.64 -1.17 0.15 113.55 117.82 2qbf h SER 61 Ca 0.11 0.07 -0.24 0.00 -0.47 0.00 0.00 61.79 61.26 2qbf h SER 61 Cb -0.02 -0.04 -0.11 0.00 -0.31 0.00 0.00 62.40 61.92 2qbf h SER 61 CO -0.02 0.23 0.31 0.54 -0.87 0.00 0.00 176.83 177.02 2qbf n ARG 62 N -4.64 1.59 -2.08 4.77 1.74 -0.83 -4.33 116.66 112.88 2qbf n ARG 62 Ca 0.22 -1.23 -0.12 0.00 -0.77 0.00 0.00 57.85 55.94 2qbf n ARG 62 Cb 0.63 -1.48 -0.02 0.00 -1.02 0.00 0.00 32.46 30.57 2qbf n ARG 62 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2qbf n LYS 63 N 0.33 -1.91 -1.58 5.56 5.02 0.52 -4.79 118.16 121.31 2qbf n LYS 63 Ca 0.24 0.64 -0.56 0.00 -2.02 0.00 0.00 58.31 56.62 2qbf n LYS 63 Cb 0.70 -5.12 -0.07 0.00 -0.02 0.00 0.00 35.03 30.51 2qbf n LYS 63 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qbf n GLY 64 N -0.62 0.26 3.60 0.72 0.00 -1.11 -4.80 105.19 103.23 2qbf n GLY 64 Ca -0.14 0.76 -0.42 0.00 0.00 0.00 0.00 46.02 46.22 2qbf n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qbf s LYS 65 N 0.79 3.16 -0.15 1.61 1.02 -1.26 -4.79 119.74 120.12 2qbf s LYS 65 Ca 0.89 1.63 -0.05 0.00 0.02 0.00 0.00 55.97 58.46 2qbf s LYS 65 Cb -1.09 -4.29 -0.03 0.00 -0.52 0.00 0.00 37.83 31.89 2qbf s LYS 65 CO 0.54 -2.06 0.01 0.42 -0.92 0.00 0.00 175.35 173.34 2qbf s ILE 66 N 7.81 4.37 -0.26 2.17 -1.09 -1.26 0.14 121.20 133.07 2qbf s ILE 66 Ca 0.88 -0.19 0.02 0.00 -2.23 0.00 0.00 60.65 59.13 2qbf s ILE 66 Cb -0.26 -2.92 0.06 0.00 -1.58 0.00 0.00 42.46 37.76 2qbf s ILE 66 CO 0.33 0.50 -0.10 -0.22 -1.23 0.00 0.00 174.94 174.22 2qbf s LEU 67 N 0.09 3.43 0.20 2.97 0.20 -1.03 0.19 118.68 124.74 2qbf s LEU 67 Ca 0.02 -1.35 -0.23 0.00 0.69 0.00 0.00 54.13 53.27 2qbf s LEU 67 Cb -0.13 -1.56 -0.08 0.00 -0.43 0.00 0.00 46.19 43.99 2qbf s LEU 67 CO 0.02 -0.19 0.76 -0.36 -0.29 0.00 0.00 176.35 176.29 2qbf s PHE 68 N 1.12 3.77 -0.06 5.38 0.40 0.18 -1.12 117.98 127.66 2qbf s PHE 68 Ca -0.08 1.53 0.03 0.00 -0.60 0.00 0.00 56.93 57.80 2qbf s PHE 68 Cb -0.20 -2.71 0.01 0.00 0.51 0.00 0.00 43.02 40.64 2qbf s PHE 68 CO -0.05 0.41 -0.13 0.08 0.70 0.00 0.00 175.22 176.23 2qbf s VAL 69 N -1.36 1.15 -0.32 -0.44 1.01 0.32 0.09 120.40 120.85 2qbf s VAL 69 Ca 0.40 -0.51 -0.11 0.00 0.00 0.00 0.00 61.98 61.76 2qbf s VAL 69 Cb -0.20 -1.04 0.19 0.00 0.00 0.00 0.00 36.38 35.33 2qbf s VAL 69 CO 0.23 0.35 1.09 -0.83 0.00 0.00 0.00 175.10 175.95 2qbf s GLY 70 N 0.52 -1.60 0.06 4.51 0.00 0.08 -0.49 107.32 110.40 2qbf s GLY 70 Ca -0.12 1.35 0.06 0.00 0.00 0.00 0.00 44.72 46.01 2qbf s GLY 70 CO 0.03 4.38 1.05 -0.84 0.00 0.00 0.00 173.10 177.72 2qbf h THR 71 N 3.20 1.40 -0.73 0.90 2.02 -1.74 -3.36 112.91 114.61 2qbf h THR 71 Ca -0.04 -3.12 -0.72 0.00 0.77 0.00 0.00 66.41 63.30 2qbf h THR 71 Cb 1.24 2.74 -0.02 0.00 -1.74 0.00 0.00 68.15 70.36 2qbf h THR 71 CO -0.09 0.83 1.31 2.29 0.37 0.00 0.00 175.52 180.22 2qbf n LYS 72 N -3.31 0.66 -0.32 6.66 2.85 -1.26 -4.57 118.16 118.87 2qbf n LYS 72 Ca -0.07 0.19 -0.08 0.00 -1.05 0.00 0.00 58.31 57.30 2qbf n LYS 72 Cb 0.99 -2.04 -0.07 0.00 -0.65 0.00 0.00 35.03 33.26 2qbf n LYS 72 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 2qbf n ARG 73 N 7.56 -0.32 -0.28 -1.58 3.00 -1.26 0.72 116.66 124.49 2qbf n ARG 73 Ca 0.45 1.16 0.34 0.00 -0.00 0.00 0.00 57.85 59.79 2qbf n ARG 73 Cb 0.11 -1.70 0.73 0.00 0.00 0.00 0.00 32.46 31.60 2qbf n ARG 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2qbf h ALA 74 N 0.44 3.02 0.00 5.13 0.00 -1.99 -1.80 119.26 124.06 2qbf h ALA 74 Ca 0.13 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2qbf h ALA 74 Cb 0.33 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2qbf h ALA 74 CO -0.72 -1.46 -0.13 0.00 0.00 0.00 0.00 179.25 176.94 2qbf n ALA 75 N -2.67 2.14 -0.03 0.00 0.00 0.26 -4.78 120.51 115.44 2qbf n ALA 75 Ca 0.24 -0.03 -0.06 0.00 0.00 0.00 0.00 53.44 53.59 2qbf n ALA 75 Cb 1.25 -0.04 -0.04 0.00 0.00 0.00 0.00 19.45 20.61 2qbf n ALA 75 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2qbf h SER 76 N 0.00 -0.78 -0.79 0.00 0.87 0.12 -2.77 113.55 110.20 2qbf h SER 76 Ca 0.00 0.10 0.16 0.00 -1.23 0.00 0.00 61.79 60.82 2qbf h SER 76 Cb 0.03 0.31 -0.15 0.00 -0.44 0.00 0.00 62.40 62.15 2qbf h SER 76 CO 0.00 -0.20 -0.18 -0.08 -0.53 0.00 0.00 176.83 175.84 2qbf h GLU 77 N -0.23 0.01 -0.30 2.24 4.81 -1.86 -1.41 114.58 117.83 2qbf h GLU 77 Ca 0.02 -0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.31 2qbf h GLU 77 Cb 0.28 -0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.61 2qbf h GLU 77 CO -0.22 0.00 -0.07 0.00 -0.73 0.00 0.00 179.01 177.99 2qbf h ALA 78 N 1.79 0.20 -0.31 2.92 0.00 -1.84 -2.78 119.26 119.24 2qbf h ALA 78 Ca 0.38 0.12 0.06 0.00 0.00 0.00 0.00 54.91 55.48 2qbf h ALA 78 Cb 0.60 0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.55 2qbf h ALA 78 CO -0.81 -0.46 -0.09 0.28 0.00 0.00 0.00 179.25 178.17 2qbf h VAL 79 N 0.00 0.66 -0.92 0.00 2.07 -1.00 -1.90 116.25 115.16 2qbf h VAL 79 Ca 0.15 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.79 2qbf h VAL 79 Cb 0.22 0.66 -0.08 0.00 -1.52 0.00 0.00 31.29 30.57 2qbf h VAL 79 CO -0.31 0.00 0.55 0.07 0.02 0.00 0.00 177.57 177.90 2qbf h LYS 80 N -0.02 0.83 0.20 1.57 2.10 -1.29 -1.44 116.57 118.53 2qbf h LYS 80 Ca 0.15 -0.05 -0.01 0.00 -2.00 0.00 0.00 60.65 58.74 2qbf h LYS 80 Cb 0.25 -0.19 0.00 0.00 -0.90 0.00 0.00 32.23 31.40 2qbf h LYS 80 CO -0.33 0.55 -0.10 -0.44 -2.00 0.00 0.00 179.45 177.13 2qbf h ASP 81 N 0.86 -0.23 -0.22 7.07 3.32 -1.19 -2.93 116.42 123.09 2qbf h ASP 81 Ca 0.47 -0.24 0.03 0.00 0.02 0.00 0.00 57.03 57.31 2qbf h ASP 81 Cb 0.51 0.06 -0.03 0.00 0.22 0.00 0.00 39.33 40.09 2qbf h ASP 81 CO -0.28 0.13 0.06 0.00 -1.72 0.00 0.00 179.24 177.43 2qbf h ALA 82 N 0.07 0.24 0.00 3.45 0.00 -1.13 -1.85 119.26 120.03 2qbf h ALA 82 Ca -0.03 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2qbf h ALA 82 Cb 0.45 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2qbf h ALA 82 CO 0.05 -0.36 0.00 0.00 0.00 0.00 0.00 179.25 178.93 2qbf h ALA 83 N 1.15 1.00 -0.51 0.00 0.00 -1.35 -1.49 119.26 118.07 2qbf h ALA 83 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2qbf h ALA 83 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2qbf h ALA 83 CO -0.12 0.00 0.00 -0.11 0.00 0.00 0.00 179.25 179.02 2qbf n LEU 84 N -2.42 3.11 -0.48 0.00 7.94 -0.70 -3.63 117.00 120.83 2qbf n LEU 84 Ca -0.00 -1.56 0.03 0.00 -1.11 0.00 0.00 56.01 53.37 2qbf n LEU 84 Cb 0.13 -0.40 0.09 0.00 0.53 0.00 0.00 43.42 43.77 2qbf n LEU 84 CO 0.16 0.67 0.53 -1.20 -1.11 0.00 0.00 177.39 176.44 2qbf n SER 85 N 0.94 1.31 0.00 1.96 7.64 -0.56 -4.91 113.62 119.99 2qbf n SER 85 Ca 0.18 -2.06 0.00 0.00 1.01 0.00 0.00 58.87 58.00 2qbf n SER 85 Cb 0.53 -0.23 0.00 0.00 -1.01 0.00 0.00 64.21 63.51 2qbf n SER 85 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2qbf n ASP 87 N 0.34 0.00 -4.71 0.00 2.03 -1.26 -4.74 116.55 108.20 2qbf n ASP 87 Ca 0.00 -0.24 -0.33 0.00 0.52 0.00 0.00 54.79 54.73 2qbf n ASP 87 Cb 0.00 0.00 0.11 0.00 -0.72 0.00 0.00 41.12 40.51 2qbf n ASP 87 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 2qbf s GLN 88 N -2.00 1.93 0.38 -0.67 -0.21 -1.24 -4.57 119.66 113.28 2qbf s GLN 88 Ca 0.06 1.69 0.07 0.00 0.02 0.00 0.00 55.36 57.20 2qbf s GLN 88 Cb 0.03 -1.82 -0.07 0.00 1.00 0.00 0.00 33.01 32.15 2qbf s GLN 88 CO 0.05 -1.98 0.00 -0.06 -2.12 0.00 0.00 175.29 171.18 2qbf s PHE 89 N -2.15 2.37 0.23 0.91 0.40 0.50 -4.51 117.98 115.72 2qbf s PHE 89 Ca 0.72 -0.70 -0.11 0.00 -0.60 0.00 0.00 56.93 56.24 2qbf s PHE 89 Cb -0.27 -1.59 -0.01 0.00 0.51 0.00 0.00 43.02 41.65 2qbf s PHE 89 CO 0.48 0.37 0.41 -0.59 0.70 0.00 0.00 175.22 176.60 2qbf s PHE 90 N -2.83 0.44 -0.28 0.36 -0.12 -0.98 0.51 117.98 115.08 2qbf s PHE 90 Ca 0.35 -0.78 0.02 0.00 -0.05 0.00 0.00 56.93 56.47 2qbf s PHE 90 Cb 0.08 0.07 0.17 0.00 -0.63 0.00 0.00 43.02 42.72 2qbf s PHE 90 CO 0.17 -0.91 0.50 0.08 -0.05 0.00 0.00 175.22 175.01 2qbf s VAL 91 N -4.02 -0.81 -0.16 -2.49 1.01 0.11 -4.29 120.40 109.76 2qbf s VAL 91 Ca 0.23 -0.12 0.07 0.00 0.00 0.00 0.00 61.98 62.16 2qbf s VAL 91 Cb 0.01 -0.97 0.13 0.00 0.00 0.00 0.00 36.38 35.55 2qbf s VAL 91 CO 0.07 -0.12 1.09 -0.46 0.00 0.00 0.00 175.10 175.68 2qbf n ASN 92 N 5.39 2.29 -3.84 3.32 0.23 -1.26 -0.74 115.26 120.65 2qbf n ASN 92 Ca 0.01 -2.30 -0.29 0.00 -0.53 0.00 0.00 54.58 51.47 2qbf n ASN 92 Cb 0.51 -0.15 -0.16 0.00 -2.08 0.00 0.00 39.78 37.90 2qbf n ASN 92 CO 0.00 0.00 0.00 -1.00 -0.93 0.00 0.00 177.26 175.33 2qbf s HIS 93 N -1.52 1.75 0.00 -2.53 3.76 -1.26 -4.24 115.29 111.26 2qbf s HIS 93 Ca 0.12 -1.34 0.00 0.00 -0.15 0.00 0.00 55.06 53.69 2qbf s HIS 93 Cb 0.10 -1.33 0.00 0.00 1.11 0.00 0.00 32.58 32.46 2qbf s HIS 93 CO 0.03 -0.70 0.00 2.89 -0.85 0.00 0.00 174.74 176.11 2qbf n ARG 94 N 4.85 -0.43 -1.55 1.40 0.00 -1.26 -4.48 116.66 115.19 2qbf n ARG 94 Ca -0.10 0.42 -0.14 0.00 -0.00 0.00 0.00 57.85 58.03 2qbf n ARG 94 Cb 0.45 -0.29 -0.09 0.00 -0.00 0.00 0.00 32.46 32.53 2qbf n ARG 94 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.63 179.50 2qbf n TRP 95 N 1.49 1.00 -1.47 2.89 -0.00 -1.26 -4.87 117.44 115.22 2qbf n TRP 95 Ca 0.00 -0.04 -0.48 0.00 -0.00 0.00 0.00 57.50 56.98 2qbf n TRP 95 Cb 0.01 -2.40 -0.03 0.00 -0.00 0.00 0.00 31.31 28.89 2qbf n TRP 95 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 177.69 178.97 2qbf n LEU 96 N 17.64 -0.12 -4.55 5.87 4.77 -1.26 -4.80 117.00 134.55 2qbf n LEU 96 Ca 0.47 1.15 -0.40 0.00 -0.03 0.00 0.00 56.01 57.19 2qbf n LEU 96 Cb 0.41 -1.06 -0.03 0.00 -2.33 0.00 0.00 43.42 40.41 2qbf n LEU 96 CO 0.60 -2.35 1.28 -0.83 -1.33 0.00 0.00 177.39 174.76 2qbf s GLY 97 N -0.73 0.76 0.00 -0.72 0.00 -1.26 -3.32 107.32 102.06 2qbf s GLY 97 Ca 0.65 -1.30 0.00 0.00 0.00 0.00 0.00 44.72 44.07 2qbf s GLY 97 CO 0.57 2.82 0.00 0.61 0.00 0.00 0.00 173.10 177.09 2qbf n GLY 98 N 5.58 1.22 0.00 0.20 0.00 -1.26 -4.93 105.19 106.01 2qbf n GLY 98 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2qbf n GLY 98 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2qbf n MET 99 N -0.04 0.00 0.06 1.61 3.85 -1.21 0.13 117.12 121.52 2qbf n MET 99 Ca 0.00 0.21 0.00 0.00 -1.00 0.00 0.00 57.70 56.91 2qbf n MET 99 Cb 0.00 -1.51 0.00 0.00 -1.05 0.00 0.00 33.22 30.66 2qbf n MET 99 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 175.97 175.86 2qbf n LEU 100 N -1.20 0.82 0.27 3.17 7.94 -1.26 -4.44 117.00 122.31 2qbf n LEU 100 Ca 0.00 0.17 0.16 0.00 -1.11 0.00 0.00 56.01 55.23 2qbf n LEU 100 Cb 0.01 -0.20 0.67 0.00 0.53 0.00 0.00 43.42 44.43 2qbf n LEU 100 CO 0.00 -0.73 0.96 0.00 -1.11 0.00 0.00 177.39 176.51 2qbf h THR 101 N 0.00 0.16 -0.98 1.96 1.03 -1.84 -3.00 112.91 110.24 2qbf h THR 101 Ca 0.00 -0.61 -0.52 0.00 -0.01 0.00 0.00 66.41 65.27 2qbf h THR 101 Cb 0.00 1.53 -0.42 0.00 -1.07 0.00 0.00 68.15 68.18 2qbf h THR 101 CO 0.00 0.05 -0.85 -3.20 -0.01 0.00 0.00 175.52 171.52 2qbf n ASN 102 N -3.19 4.29 -0.01 0.00 5.15 0.34 -4.86 115.26 116.97 2qbf n ASN 102 Ca 0.00 -3.49 -0.09 0.00 -0.60 0.00 0.00 54.58 50.39 2qbf n ASN 102 Cb 0.31 -0.41 -0.04 0.00 -0.53 0.00 0.00 39.78 39.12 2qbf n ASN 102 CO 0.00 0.00 0.00 -0.25 1.40 0.00 0.00 177.26 178.41 2qbf h TRP 103 N 2.41 -0.16 -1.30 1.20 7.01 -1.35 0.10 115.95 123.85 2qbf h TRP 103 Ca 0.26 0.02 0.41 0.00 2.11 0.00 0.00 58.89 61.69 2qbf h TRP 103 Cb 1.29 0.09 -0.12 0.00 -2.10 0.00 0.00 29.16 28.32 2qbf h TRP 103 CO 0.78 -0.11 0.85 1.57 -2.79 0.00 0.00 178.44 178.74 2qbf h LYS 104 N -0.06 0.12 0.04 2.65 2.10 -1.89 0.44 116.57 119.97 2qbf h LYS 104 Ca 0.08 -0.01 -0.34 0.00 -2.00 0.00 0.00 60.65 58.38 2qbf h LYS 104 Cb 0.17 -0.03 -0.04 0.00 -0.90 0.00 0.00 32.23 31.44 2qbf h LYS 104 CO -0.18 0.08 -1.90 2.41 -2.00 0.00 0.00 179.45 177.86 2qbf n THR 105 N -4.64 1.60 0.23 0.07 -1.04 -0.87 -4.34 114.28 105.30 2qbf n THR 105 Ca 0.35 -0.36 0.06 0.00 -2.04 0.00 0.00 64.05 62.06 2qbf n THR 105 Cb 1.37 -1.83 0.53 0.00 -1.82 0.00 0.00 70.33 68.58 2qbf n THR 105 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 2qbf h VAL 106 N -0.54 1.09 -0.52 12.58 2.07 -0.01 -2.90 116.25 128.02 2qbf h VAL 106 Ca -0.47 -0.51 0.06 0.00 0.82 0.00 0.00 66.70 66.60 2qbf h VAL 106 Cb 1.67 1.28 -0.05 0.00 -1.52 0.00 0.00 31.29 32.66 2qbf h VAL 106 CO -0.14 0.14 0.23 0.08 0.02 0.00 0.00 177.57 177.90 2qbf h ARG 107 N 0.00 0.43 -1.04 1.57 0.11 -0.36 -1.47 114.38 113.62 2qbf h ARG 107 Ca -0.00 -0.03 0.30 0.00 0.10 0.00 0.00 59.98 60.35 2qbf h ARG 107 Cb 0.26 -0.10 -0.13 0.00 1.11 0.00 0.00 29.97 31.12 2qbf h ARG 107 CO 0.02 0.28 0.62 1.96 0.10 0.00 0.00 179.97 182.95 2qbf h GLN 108 N 0.44 0.39 -0.64 0.08 4.20 -1.72 0.75 115.11 118.60 2qbf h GLN 108 Ca 0.24 -0.02 0.02 0.00 0.06 0.00 0.00 58.65 58.95 2qbf h GLN 108 Cb 0.22 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 27.87 2qbf h GLN 108 CO -0.21 0.26 0.41 0.77 -0.67 0.00 0.00 178.83 179.39 2qbf h SER 109 N 0.40 0.69 -0.70 1.46 0.02 -1.42 -2.03 113.55 111.97 2qbf h SER 109 Ca 0.69 -0.01 0.04 0.00 -0.84 0.00 0.00 61.79 61.67 2qbf h SER 109 Cb 1.58 -0.16 -0.05 0.00 0.14 0.00 0.00 62.40 63.91 2qbf h SER 109 CO -0.50 0.49 0.43 0.40 -1.14 0.00 0.00 176.83 176.51 2qbf h ILE 110 N 0.82 1.06 -0.62 3.27 2.04 0.52 -1.92 117.51 122.67 2qbf h ILE 110 Ca 0.25 -0.28 0.13 0.00 1.00 0.00 0.00 64.86 65.96 2qbf h ILE 110 Cb -0.04 0.17 -0.11 0.00 -0.74 0.00 0.00 36.82 36.10 2qbf h ILE 110 CO -0.08 0.15 -0.03 0.50 0.00 0.00 0.00 178.15 178.70 2qbf h LYS 111 N 0.82 0.09 -0.13 2.37 3.64 -0.68 0.52 116.57 123.20 2qbf h LYS 111 Ca 0.29 -0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.71 2qbf h LYS 111 Cb 0.07 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.83 2qbf h LYS 111 CO -0.13 0.06 -0.12 -0.09 -2.27 0.00 0.00 179.45 176.90 2qbf h ARG 112 N 0.09 -0.14 -1.03 1.90 9.65 -1.16 0.14 114.38 123.83 2qbf h ARG 112 Ca 0.32 0.01 0.26 0.00 -1.10 0.00 0.00 59.98 59.48 2qbf h ARG 112 Cb 0.52 0.03 -0.11 0.00 -1.39 0.00 0.00 29.97 29.03 2qbf h ARG 112 CO -0.56 -0.09 0.65 1.25 2.80 0.00 0.00 179.97 184.02 2qbf h LEU 113 N -0.14 0.52 0.00 3.80 6.46 -0.60 0.54 115.31 125.89 2qbf h LEU 113 Ca 0.09 0.10 0.00 0.00 -0.12 0.00 0.00 57.88 57.95 2qbf h LEU 113 Cb 0.27 0.02 0.00 0.00 -0.73 0.00 0.00 40.66 40.23 2qbf h LEU 113 CO -0.22 0.09 0.00 0.29 -0.62 0.00 0.00 178.44 177.98 2qbf n LYS 114 N -4.72 0.00 -0.13 1.25 4.76 -0.08 -1.58 118.16 117.65 2qbf n LYS 114 Ca 0.26 0.27 0.27 0.00 -2.87 0.00 0.00 58.31 56.24 2qbf n LYS 114 Cb 0.84 -0.95 0.57 0.00 -1.84 0.00 0.00 35.03 33.64 2qbf n LYS 114 CO 0.00 0.00 0.00 0.38 -1.37 0.00 0.00 177.40 176.41 2qbf h ASP 115 N 0.00 0.00 0.15 4.39 3.04 -0.61 0.60 116.42 123.99 2qbf h ASP 115 Ca 0.00 0.00 -0.25 0.00 -3.24 0.00 0.00 57.03 53.54 2qbf h ASP 115 Cb 0.00 0.00 0.02 0.00 -1.04 0.00 0.00 39.33 38.31 2qbf h ASP 115 CO 0.00 0.00 -1.17 -0.07 -2.04 0.00 0.00 179.24 175.96 2qbf h LEU 116 N 0.00 0.51 -0.32 0.15 3.38 -0.00 -3.28 115.31 115.75 2qbf h LEU 116 Ca 0.41 -0.91 0.05 0.00 0.09 0.00 0.00 57.88 57.51 2qbf h LEU 116 Cb 2.33 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 42.87 2qbf h LEU 116 CO -0.00 1.54 0.07 -0.33 0.09 0.00 0.00 178.44 179.81 2qbf h GLU 117 N -0.24 0.19 -0.97 1.13 5.08 0.12 -0.65 114.58 119.23 2qbf h GLU 117 Ca -0.23 -0.01 0.21 0.00 -1.00 0.00 0.00 59.36 58.33 2qbf h GLU 117 Cb 1.79 -0.04 -0.09 0.00 0.50 0.00 0.00 28.75 30.91 2qbf h GLU 117 CO 0.14 0.12 0.62 1.79 -1.00 0.00 0.00 179.01 180.68 2qbf h THR 118 N 0.19 0.67 0.00 1.13 1.35 -1.44 -2.63 112.91 112.18 2qbf h THR 118 Ca 0.15 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.82 2qbf h THR 118 Cb 0.16 0.05 0.00 0.00 -1.73 0.00 0.00 68.15 66.63 2qbf h THR 118 CO -0.19 0.10 0.00 0.00 -0.25 0.00 0.00 175.52 175.18 2qbf n GLN 119 N -4.64 0.00 -0.32 4.72 1.13 -0.26 -0.47 117.38 117.54 2qbf n GLN 119 Ca 0.22 0.22 0.00 0.00 -1.94 0.00 0.00 57.00 55.50 2qbf n GLN 119 Cb 0.67 -1.06 0.05 0.00 0.11 0.00 0.00 30.24 30.01 2qbf n GLN 119 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 2qbf n SER 120 N -0.87 -0.50 0.29 1.08 3.41 -1.12 -0.61 113.62 115.30 2qbf n SER 120 Ca 0.00 1.48 -0.18 0.00 -0.26 0.00 0.00 58.87 59.90 2qbf n SER 120 Cb 0.00 -0.36 -0.10 0.00 -0.26 0.00 0.00 64.21 63.49 2qbf n SER 120 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 2qbf h GLN 121 N 0.00 -0.98 0.00 4.33 -0.00 -1.46 -3.44 115.11 113.57 2qbf h GLN 121 Ca 0.32 0.07 0.00 0.00 -0.00 0.00 0.00 58.65 59.03 2qbf h GLN 121 Cb 0.53 0.22 0.00 0.00 0.00 0.00 0.00 27.48 28.23 2qbf h GLN 121 CO -0.85 -0.65 0.00 -0.40 0.00 0.00 0.00 178.83 176.93 2qbf n ASP 122 N -5.55 -0.81 -1.67 -0.69 5.68 0.38 -4.98 116.55 108.91 2qbf n ASP 122 Ca -0.12 -0.38 -0.17 0.00 -0.50 0.00 0.00 54.79 53.63 2qbf n ASP 122 Cb 0.47 0.00 0.12 0.00 -1.14 0.00 0.00 41.12 40.57 2qbf n ASP 122 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2qbf n GLY 123 N 2.40 5.55 0.67 6.12 0.00 -1.26 -4.52 105.19 114.15 2qbf n GLY 123 Ca 0.00 -1.88 0.08 0.00 0.00 0.00 0.00 46.02 44.22 2qbf n GLY 123 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2qbf n THR 124 N -0.96 1.86 0.00 2.61 5.66 -1.26 -4.44 114.28 117.75 2qbf n THR 124 Ca 0.43 -1.68 0.00 0.00 -3.05 0.00 0.00 64.05 59.75 2qbf n THR 124 Cb 0.96 -0.04 0.00 0.00 -1.55 0.00 0.00 70.33 69.70 2qbf n THR 124 CO 0.00 0.00 0.00 0.33 -3.05 0.00 0.00 175.07 172.35 2qbf n PHE 125 N -0.41 0.00 -0.05 1.09 7.35 -1.26 -4.78 117.46 119.40 2qbf n PHE 125 Ca 0.17 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.78 2qbf n PHE 125 Cb 0.71 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 40.52 2qbf n PHE 125 CO 0.00 0.00 0.00 0.38 -0.76 0.00 0.00 176.76 176.38 2qbf h ASP 126 N 0.00 -0.33 -2.37 -2.13 3.04 -1.86 -3.44 116.42 109.34 2qbf h ASP 126 Ca 0.00 0.08 -0.49 0.00 -3.24 0.00 0.00 57.03 53.39 2qbf h ASP 126 Cb 0.09 0.19 0.23 0.00 -1.04 0.00 0.00 39.33 38.80 2qbf h ASP 126 CO 0.00 -0.13 -1.27 2.29 -2.04 0.00 0.00 179.24 178.10 2qbf n LYS 127 N -5.26 -0.90 -1.35 4.15 -0.00 -1.26 -4.77 118.16 108.77 2qbf n LYS 127 Ca -0.01 -0.24 0.00 0.00 -0.00 0.00 0.00 58.31 58.05 2qbf n LYS 127 Cb 0.18 -1.58 0.00 0.00 -0.00 0.00 0.00 35.03 33.63 2qbf n LYS 127 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 2qbf n LEU 128 N -0.39 -5.20 -4.45 -5.58 7.94 -1.26 -4.79 117.00 103.26 2qbf n LEU 128 Ca 0.02 2.35 -0.28 0.00 -1.11 0.00 0.00 56.01 56.98 2qbf n LEU 128 Cb 0.62 -1.99 0.27 0.00 0.53 0.00 0.00 43.42 42.84 2qbf n LEU 128 CO 0.50 -0.48 0.49 0.42 -1.11 0.00 0.00 177.39 177.22 2qbf s THR 129 N -1.69 2.00 -0.83 1.96 -4.23 -1.26 -4.39 115.64 107.20 2qbf s THR 129 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.51 2qbf s THR 129 Cb 0.00 -2.00 0.00 0.00 1.34 0.00 0.00 72.50 71.84 2qbf s THR 129 CO 0.00 -0.00 0.90 0.29 -0.54 0.00 0.00 174.62 175.27 2qbf n LYS 130 N -5.07 0.00 -0.08 3.99 4.76 -1.26 -1.22 118.16 119.27 2qbf n LYS 130 Ca 0.02 0.40 -0.06 0.00 -2.87 0.00 0.00 58.31 55.80 2qbf n LYS 130 Cb 0.54 -1.59 -0.00 0.00 -1.84 0.00 0.00 35.03 32.14 2qbf n LYS 130 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 2qbf h LYS 131 N 0.00 -0.08 0.00 1.97 1.63 -1.99 -1.31 116.57 116.80 2qbf h LYS 131 Ca 0.00 0.01 -0.22 0.00 -0.85 0.00 0.00 60.65 59.58 2qbf h LYS 131 Cb 0.18 0.02 -0.04 0.00 -0.60 0.00 0.00 32.23 31.79 2qbf h LYS 131 CO 0.00 -0.05 -1.84 0.39 -3.45 0.00 0.00 179.45 174.50 2qbf n GLU 132 N -5.31 1.94 0.39 1.90 -0.58 -0.96 -4.37 120.64 113.66 2qbf n GLU 132 Ca 0.01 -0.01 -0.18 0.00 -0.42 0.00 0.00 57.16 56.55 2qbf n GLU 132 Cb 0.23 -1.32 -0.09 0.00 -0.57 0.00 0.00 31.44 29.69 2qbf n GLU 132 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2qbf h ALA 133 N 0.62 -1.01 -0.69 0.62 0.00 -1.19 -1.17 119.26 116.44 2qbf h ALA 133 Ca -0.33 -0.21 0.14 0.00 0.00 0.00 0.00 54.91 54.51 2qbf h ALA 133 Cb 1.74 0.43 -0.04 0.00 0.00 0.00 0.00 17.79 19.92 2qbf h ALA 133 CO 0.02 -1.08 0.47 1.25 0.00 0.00 0.00 179.25 179.91 2qbf h LEU 134 N -1.00 0.31 -0.00 0.00 5.85 -1.44 -0.40 115.31 118.63 2qbf h LEU 134 Ca -0.09 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 2qbf h LEU 134 Cb 0.79 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.77 2qbf h LEU 134 CO 0.13 0.17 0.00 0.24 -0.34 0.00 0.00 178.44 178.64 2qbf h MET 135 N 0.33 0.00 -0.62 1.25 2.86 -1.54 0.46 114.93 117.67 2qbf h MET 135 Ca 0.33 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.96 2qbf h MET 135 Cb 0.84 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.47 2qbf h MET 135 CO -0.09 0.21 0.33 -0.09 1.06 0.00 0.00 176.91 178.33 2qbf h ARG 136 N -0.21 0.85 0.31 1.72 2.43 -0.11 0.10 114.38 119.47 2qbf h ARG 136 Ca 0.00 -0.09 -0.02 0.00 -0.81 0.00 0.00 59.98 59.06 2qbf h ARG 136 Cb 0.21 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 2qbf h ARG 136 CO -0.00 0.64 -0.15 1.15 -1.51 0.00 0.00 179.97 180.10 2qbf h THR 137 N 0.86 0.70 -0.66 0.20 2.02 -0.78 -2.74 112.91 112.52 2qbf h THR 137 Ca 0.22 -0.50 0.11 0.00 0.77 0.00 0.00 66.41 67.01 2qbf h THR 137 Cb 0.04 0.96 -0.08 0.00 -1.74 0.00 0.00 68.15 67.33 2qbf h THR 137 CO -0.03 0.10 0.24 -0.09 0.37 0.00 0.00 175.52 176.10 2qbf h ARG 138 N -0.70 0.39 -0.49 6.66 9.65 0.25 -2.03 114.38 128.11 2qbf h ARG 138 Ca -0.04 -0.02 0.06 0.00 -1.10 0.00 0.00 59.98 58.88 2qbf h ARG 138 Cb 0.48 -0.09 -0.05 0.00 -1.39 0.00 0.00 29.97 28.92 2qbf h ARG 138 CO 0.07 0.26 0.18 1.49 2.80 0.00 0.00 179.97 184.77 2qbf h GLU 139 N 0.40 0.36 -0.62 0.20 4.81 -0.94 -2.24 114.58 116.56 2qbf h GLU 139 Ca 0.34 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.60 2qbf h GLU 139 Cb 0.47 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.72 2qbf h GLU 139 CO -0.35 0.24 0.35 -0.07 -0.73 0.00 0.00 179.01 178.45 2qbf h LEU 140 N 0.37 0.55 -0.21 1.64 3.38 -1.06 -2.73 115.31 117.25 2qbf h LEU 140 Ca 0.23 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.24 2qbf h LEU 140 Cb 0.23 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 2qbf h LEU 140 CO -0.23 0.37 -0.19 -0.33 0.09 0.00 0.00 178.44 178.15 2qbf h GLU 141 N 0.68 -0.08 -0.57 1.13 5.08 -1.14 -0.95 114.58 118.73 2qbf h GLU 141 Ca 0.26 0.01 0.12 0.00 -1.00 0.00 0.00 59.36 58.74 2qbf h GLU 141 Cb 0.11 0.02 -0.10 0.00 0.50 0.00 0.00 28.75 29.28 2qbf h GLU 141 CO -0.14 -0.05 -0.01 -0.22 -1.00 0.00 0.00 179.01 177.58 2qbf h LYS 142 N -0.08 0.10 -0.87 2.33 3.11 -1.50 -1.31 116.57 118.36 2qbf h LYS 142 Ca 0.03 -0.01 0.14 0.00 -2.81 0.00 0.00 60.65 58.00 2qbf h LYS 142 Cb 0.17 -0.02 -0.07 0.00 -1.00 0.00 0.00 32.23 31.31 2qbf h LYS 142 CO -0.24 0.07 0.56 -0.07 -2.81 0.00 0.00 179.45 176.96 2qbf h LEU 143 N 0.11 0.63 -1.17 5.20 3.38 -0.99 -0.33 115.31 122.14 2qbf h LEU 143 Ca 0.29 0.03 -0.09 0.00 0.09 0.00 0.00 57.88 58.21 2qbf h LEU 143 Cb 0.46 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2qbf h LEU 143 CO -0.49 0.33 -0.38 -0.33 0.09 0.00 0.00 178.44 177.66 2qbf h GLU 144 N 0.68 0.07 0.41 1.13 3.07 -0.01 0.25 114.58 120.17 2qbf h GLU 144 Ca 0.43 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 59.24 2qbf h GLU 144 Cb 0.69 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.60 2qbf h GLU 144 CO -0.19 0.44 -0.20 -0.91 -1.40 0.00 0.00 179.01 176.76 2qbf h ASN 145 N 0.06 -0.47 0.00 1.42 -0.26 -0.89 -2.65 115.58 112.79 2qbf h ASN 145 Ca 0.00 0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.76 2qbf h ASN 145 Cb 0.70 0.12 0.00 0.00 -1.06 0.00 0.00 38.32 38.08 2qbf h ASN 145 CO 0.05 -0.33 0.00 -1.54 -1.06 0.00 0.00 177.43 174.55 2qbf n SER 146 N -5.32 0.00 -0.09 5.81 3.41 -1.18 -4.00 113.62 112.25 2qbf n SER 146 Ca -0.11 0.24 -0.03 0.00 -0.26 0.00 0.00 58.87 58.70 2qbf n SER 146 Cb 0.24 -0.44 0.19 0.00 -0.26 0.00 0.00 64.21 63.94 2qbf n SER 146 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2qbf h LEU 147 N 0.00 0.71 -0.51 1.04 3.38 -1.45 -3.31 115.31 115.17 2qbf h LEU 147 Ca 0.00 -0.16 0.06 0.00 0.09 0.00 0.00 57.88 57.88 2qbf h LEU 147 Cb 0.00 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 40.49 2qbf h LEU 147 CO 0.00 0.76 -0.25 0.61 0.09 0.00 0.00 178.44 179.66 2qbf n GLY 148 N -0.72 -1.17 1.40 0.83 0.00 -0.04 0.15 105.19 105.63 2qbf n GLY 148 Ca 0.03 0.58 -0.07 0.00 0.00 0.00 0.00 46.02 46.55 2qbf n GLY 148 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qbf n GLY 149 N -1.19 2.82 0.00 -0.02 0.00 -1.25 -3.42 105.19 102.13 2qbf n GLY 149 Ca 0.03 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.69 2qbf n GLY 149 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2qbf n ILE 150 N 0.07 0.00 0.26 -0.61 3.06 0.40 -2.32 119.36 120.22 2qbf n ILE 150 Ca 0.18 0.00 0.16 0.00 -2.50 0.00 0.00 62.75 60.59 2qbf n ILE 150 Cb 0.83 0.02 0.88 0.00 0.54 0.00 0.00 39.64 41.91 2qbf n ILE 150 CO 0.00 0.00 0.00 0.07 -2.50 0.00 0.00 176.55 174.12 2qbf h LYS 151 N 0.00 0.00 -1.60 9.51 2.10 0.05 -2.66 116.57 123.97 2qbf h LYS 151 Ca 0.00 0.00 -0.68 0.00 -2.00 0.00 0.00 60.65 57.97 2qbf h LYS 151 Cb 0.46 0.00 -0.34 0.00 -0.90 0.00 0.00 32.23 31.46 2qbf h LYS 151 CO 0.00 0.00 0.25 -0.25 -2.00 0.00 0.00 179.45 177.45 2qbf n ASP 152 N -3.82 6.34 -3.22 7.07 8.00 -1.26 -4.75 116.55 124.90 2qbf n ASP 152 Ca -0.01 -3.78 -0.24 0.00 0.71 0.00 0.00 54.79 51.47 2qbf n ASP 152 Cb 0.18 -0.78 -0.07 0.00 -0.02 0.00 0.00 41.12 40.43 2qbf n ASP 152 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61 2qbf n MET 153 N -0.58 1.18 -1.04 -1.24 1.56 -1.00 -5.03 117.12 110.97 2qbf n MET 153 Ca 0.49 -3.58 -0.38 0.00 -0.27 0.00 0.00 57.70 53.96 2qbf n MET 153 Cb 0.50 -1.51 -0.09 0.00 2.15 0.00 0.00 33.22 34.26 2qbf n MET 153 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 2qbf n GLY 154 N 1.08 1.03 0.00 -5.12 0.00 -1.26 -4.62 105.19 96.31 2qbf n GLY 154 Ca 0.24 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.41 2qbf n GLY 154 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qbf n GLY 155 N 5.12 4.73 3.59 -0.02 0.00 -1.26 -5.12 105.19 112.23 2qbf n GLY 155 Ca 0.47 -1.14 -0.38 0.00 0.00 0.00 0.00 46.02 44.96 2qbf n GLY 155 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qbf n LEU 156 N 0.00 2.92 -4.77 0.99 4.32 -1.26 -4.95 117.00 114.24 2qbf n LEU 156 Ca 0.00 0.83 -0.34 0.00 -0.02 0.00 0.00 56.01 56.49 2qbf n LEU 156 Cb 0.00 -1.34 0.03 0.00 -1.62 0.00 0.00 43.42 40.49 2qbf n LEU 156 CO 0.00 -2.02 0.75 -2.16 -1.22 0.00 0.00 177.39 172.74 2qbf s PRO 157 N -2.48 2.97 0.42 3.23 0.04 -1.26 -4.92 135.00 133.00 2qbf s PRO 157 Ca 0.72 1.44 0.23 0.00 0.04 0.00 0.00 61.00 63.43 2qbf s PRO 157 Cb -0.45 -1.97 0.64 0.00 0.04 0.00 0.00 34.50 32.76 2qbf s PRO 157 CO 0.50 -1.12 1.70 -0.44 0.04 0.00 0.00 177.00 177.68 2qbf h ASP 158 N 0.35 0.00 -4.99 6.66 3.45 0.92 -3.46 116.42 119.34 2qbf h ASP 158 Ca -0.48 0.00 -0.02 0.00 0.43 0.00 0.00 57.03 56.96 2qbf h ASP 158 Cb 1.25 0.00 -0.13 0.00 -0.56 0.00 0.00 39.33 39.89 2qbf h ASP 158 CO 0.55 0.18 0.21 0.00 -1.57 0.00 0.00 179.24 178.61 2qbf s ALA 159 N -3.37 -1.63 -0.01 3.45 0.00 -0.81 -4.49 121.76 114.91 2qbf s ALA 159 Ca 0.03 0.61 0.05 0.00 0.00 0.00 0.00 51.96 52.65 2qbf s ALA 159 Cb 0.08 0.77 -0.01 0.00 0.00 0.00 0.00 23.12 23.95 2qbf s ALA 159 CO 0.65 -0.72 -0.16 -1.17 0.00 0.00 0.00 175.76 174.36 2qbf s LEU 160 N -2.54 2.02 -0.23 0.00 0.20 -0.40 -2.47 118.68 115.25 2qbf s LEU 160 Ca -0.01 -0.30 -0.03 0.00 0.69 0.00 0.00 54.13 54.49 2qbf s LEU 160 Cb -0.01 -0.85 0.08 0.00 -0.43 0.00 0.00 46.19 44.97 2qbf s LEU 160 CO -0.10 0.20 0.07 0.12 -0.29 0.00 0.00 176.35 176.35 2qbf s PHE 161 N -0.36 0.97 -0.02 5.38 2.19 -0.27 0.58 117.98 126.46 2qbf s PHE 161 Ca 0.06 -1.00 0.01 0.00 0.33 0.00 0.00 56.93 56.33 2qbf s PHE 161 Cb -0.07 -1.12 -0.03 0.00 -1.31 0.00 0.00 43.02 40.49 2qbf s PHE 161 CO -0.00 -0.70 -0.02 0.54 1.83 0.00 0.00 175.22 176.87 2qbf s VAL 162 N 1.87 4.01 0.03 3.12 0.11 0.26 -0.52 120.40 129.28 2qbf s VAL 162 Ca 0.03 -0.59 -0.23 0.00 -2.93 0.00 0.00 61.98 58.27 2qbf s VAL 162 Cb -0.17 -2.75 -0.13 0.00 -1.53 0.00 0.00 36.38 31.81 2qbf s VAL 162 CO -0.17 0.43 1.30 -0.29 -3.33 0.00 0.00 175.10 173.04 2qbf h ILE 163 N 3.73 0.00 -4.00 7.04 6.09 -1.09 -3.16 117.51 126.12 2qbf h ILE 163 Ca -0.49 -0.03 -0.69 0.00 -1.37 0.00 0.00 64.86 62.29 2qbf h ILE 163 Cb 1.18 0.00 -0.22 0.00 0.47 0.00 0.00 36.82 38.24 2qbf h ILE 163 CO 0.56 0.00 -0.81 -0.62 -3.07 0.00 0.00 178.15 174.20 2qbf s ASP 164 N -3.30 3.74 -0.05 2.19 2.15 -1.26 -2.00 116.67 118.15 2qbf s ASP 164 Ca -0.12 -0.45 -0.03 0.00 0.43 0.00 0.00 52.55 52.39 2qbf s ASP 164 Cb 0.01 -0.58 -0.01 0.00 -0.30 0.00 0.00 42.92 42.04 2qbf s ASP 164 CO 0.36 0.25 0.16 0.00 -0.17 0.00 0.00 175.17 175.77 2qbf h ALA 165 N 4.55 -0.14 -0.58 3.66 0.00 -1.87 -3.18 119.26 121.69 2qbf h ALA 165 Ca -0.48 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.47 2qbf h ALA 165 Cb 1.15 0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.89 2qbf h ALA 165 CO 0.47 -0.14 -0.50 -0.44 0.00 0.00 0.00 179.25 178.65 2qbf h ASP 166 N -0.59 -1.74 0.00 0.00 3.32 -1.93 0.41 116.42 115.90 2qbf h ASP 166 Ca -0.01 0.25 0.02 0.00 0.02 0.00 0.00 57.03 57.30 2qbf h ASP 166 Cb 0.07 0.74 -0.04 0.00 0.22 0.00 0.00 39.33 40.32 2qbf h ASP 166 CO 0.02 -0.28 -0.42 -0.74 -1.72 0.00 0.00 179.24 176.10 2qbf h HIS 167 N -0.19 -1.22 -0.40 4.55 2.76 -2.02 -1.55 115.15 117.08 2qbf h HIS 167 Ca 0.10 0.04 -0.24 0.00 -2.20 0.00 0.00 60.37 58.06 2qbf h HIS 167 Cb 0.45 0.53 -0.12 0.00 1.55 0.00 0.00 27.41 29.82 2qbf h HIS 167 CO -0.85 -0.45 0.31 0.39 -1.30 0.00 0.00 177.93 176.04 2qbf n GLU 168 N -4.78 1.60 -0.34 5.26 -0.58 -1.01 -4.55 120.64 116.24 2qbf n GLU 168 Ca -0.06 -1.27 0.08 0.00 -0.42 0.00 0.00 57.16 55.49 2qbf n GLU 168 Cb 0.31 -1.50 0.24 0.00 -0.57 0.00 0.00 31.44 29.92 2qbf n GLU 168 CO 0.00 0.00 0.00 1.12 -0.48 0.00 0.00 177.13 177.77 2qbf h HIS 169 N 0.95 1.04 -0.91 -0.32 2.07 0.88 -1.87 115.15 117.00 2qbf h HIS 169 Ca 0.25 0.03 0.08 0.00 -2.85 0.00 0.00 60.37 57.88 2qbf h HIS 169 Cb 1.30 -0.32 -0.07 0.00 2.57 0.00 0.00 27.41 30.89 2qbf h HIS 169 CO 0.68 0.36 0.56 0.82 -3.07 0.00 0.00 177.93 177.28 2qbf h ILE 170 N 0.87 1.01 0.80 6.12 1.08 -1.84 -2.54 117.51 123.02 2qbf h ILE 170 Ca 0.50 -0.34 -0.04 0.00 -0.39 0.00 0.00 64.86 64.59 2qbf h ILE 170 Cb 0.57 -0.07 0.00 0.00 -3.07 0.00 0.00 36.82 34.26 2qbf h ILE 170 CO -0.30 0.18 -0.43 0.00 -0.69 0.00 0.00 178.15 176.91 2qbf h ALA 171 N 1.44 -1.16 -0.83 1.87 0.00 -1.69 -2.95 119.26 115.94 2qbf h ALA 171 Ca 0.41 -0.24 0.16 0.00 0.00 0.00 0.00 54.91 55.24 2qbf h ALA 171 Cb 0.25 0.50 -0.10 0.00 0.00 0.00 0.00 17.79 18.44 2qbf h ALA 171 CO -0.20 -1.16 0.38 0.82 0.00 0.00 0.00 179.25 179.10 2qbf h ILE 172 N -1.14 0.64 -0.34 0.00 2.04 -1.48 -1.86 117.51 115.37 2qbf h ILE 172 Ca -0.11 -0.18 0.06 0.00 1.00 0.00 0.00 64.86 65.64 2qbf h ILE 172 Cb 0.90 0.08 -0.06 0.00 -0.74 0.00 0.00 36.82 37.00 2qbf h ILE 172 CO 0.15 0.09 -0.01 0.50 0.00 0.00 0.00 178.15 178.88 2qbf h LYS 173 N 0.51 0.08 -0.24 2.37 3.11 -1.33 -0.04 116.57 121.03 2qbf h LYS 173 Ca 0.47 -0.00 -0.09 0.00 -2.81 0.00 0.00 60.65 58.22 2qbf h LYS 173 Cb 0.75 -0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 31.95 2qbf h LYS 173 CO -0.42 0.05 -0.22 0.93 -2.81 0.00 0.00 179.45 176.98 2qbf h GLU 174 N 0.08 0.43 0.34 1.90 5.08 -1.20 -3.01 114.58 118.20 2qbf h GLU 174 Ca 0.17 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 2qbf h GLU 174 Cb 0.23 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.45 2qbf h GLU 174 CO -0.29 0.63 -0.16 0.00 -1.00 0.00 0.00 179.01 178.19 2qbf h ALA 175 N 1.38 -0.84 0.00 3.43 0.00 -0.54 -2.93 119.26 119.76 2qbf h ALA 175 Ca 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2qbf h ALA 175 Cb 0.61 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2qbf h ALA 175 CO 0.04 -0.81 0.12 0.27 0.00 0.00 0.00 179.25 178.88 2qbf n ASN 176 N -3.58 0.00 0.03 0.00 0.23 -0.12 0.03 115.26 111.86 2qbf n ASN 176 Ca -0.06 0.38 -0.13 0.00 -0.53 0.00 0.00 54.58 54.24 2qbf n ASN 176 Cb 0.18 -0.38 -0.14 0.00 -2.08 0.00 0.00 39.78 37.36 2qbf n ASN 176 CO 0.00 0.00 0.00 -1.13 -0.93 0.00 0.00 177.26 175.20 2qbf h ASN 177 N 0.00 0.21 -0.16 0.53 -0.73 -1.40 -3.27 115.58 110.77 2qbf h ASN 177 Ca 0.00 -0.32 0.00 0.00 1.87 0.00 0.00 56.30 57.85 2qbf h ASN 177 Cb 0.24 -0.07 0.00 0.00 0.27 0.00 0.00 38.32 38.76 2qbf h ASN 177 CO 0.00 1.28 0.00 0.18 -0.37 0.00 0.00 177.43 178.52 2qbf n LEU 178 N -3.32 1.68 0.00 0.34 4.77 0.10 -4.88 117.00 115.69 2qbf n LEU 178 Ca -0.15 -0.69 0.00 0.00 -0.03 0.00 0.00 56.01 55.14 2qbf n LEU 178 Cb 1.03 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 42.02 2qbf n LEU 178 CO 0.48 0.35 0.00 0.61 -1.33 0.00 0.00 177.39 177.49 2qbf n GLY 179 N 1.14 0.73 3.61 -0.72 0.00 -0.93 -4.98 105.19 104.05 2qbf n GLY 179 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 2qbf n GLY 179 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qbf s ILE 180 N -2.93 3.64 -0.24 -0.61 -1.09 -0.85 -4.92 121.20 114.20 2qbf s ILE 180 Ca 0.00 0.69 -0.39 0.00 -2.23 0.00 0.00 60.65 58.72 2qbf s ILE 180 Cb 0.00 -3.76 -0.14 0.00 -1.58 0.00 0.00 42.46 36.98 2qbf s ILE 180 CO 0.00 -0.41 1.81 -2.65 -1.23 0.00 0.00 174.94 172.46 2qbf n PRO 181 N 8.02 1.39 -3.58 2.79 -0.02 -1.26 -3.92 135.00 138.42 2qbf n PRO 181 Ca 0.20 0.50 -0.38 0.00 -2.02 0.00 0.00 63.50 61.81 2qbf n PRO 181 Cb 0.46 -2.25 -0.10 0.00 -0.02 0.00 0.00 33.50 31.59 2qbf n PRO 181 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2qbf s VAL 182 N 3.92 5.31 -0.15 -1.45 1.01 -1.26 -1.28 120.40 126.49 2qbf s VAL 182 Ca 0.98 0.24 -0.00 0.00 0.00 0.00 0.00 61.98 63.19 2qbf s VAL 182 Cb -0.97 -3.55 -0.01 0.00 0.00 0.00 0.00 36.38 31.85 2qbf s VAL 182 CO 0.62 0.27 -0.13 -0.36 0.00 0.00 0.00 175.10 175.50 2qbf s PHE 183 N 1.58 2.82 0.20 5.22 0.40 0.20 -2.70 117.98 125.71 2qbf s PHE 183 Ca 0.08 -0.83 -0.17 0.00 -0.60 0.00 0.00 56.93 55.41 2qbf s PHE 183 Cb -0.15 -1.90 0.02 0.00 0.51 0.00 0.00 43.02 41.51 2qbf s PHE 183 CO 0.09 -0.36 0.52 0.00 0.70 0.00 0.00 175.22 176.18 2qbf s ALA 184 N 0.67 -0.86 -0.30 5.36 0.00 -1.23 -0.57 121.76 124.84 2qbf s ALA 184 Ca -0.06 -0.31 -0.07 0.00 0.00 0.00 0.00 51.96 51.51 2qbf s ALA 184 Cb -0.15 0.87 0.01 0.00 0.00 0.00 0.00 23.12 23.85 2qbf s ALA 184 CO 0.02 -0.82 0.09 0.42 0.00 0.00 0.00 175.76 175.47 2qbf s ILE 185 N -3.89 4.03 0.07 0.00 1.01 -0.85 -2.01 121.20 119.55 2qbf s ILE 185 Ca 0.11 -0.71 0.06 0.00 0.00 0.00 0.00 60.65 60.12 2qbf s ILE 185 Cb -0.01 -3.10 -0.04 0.00 0.01 0.00 0.00 42.46 39.33 2qbf s ILE 185 CO -0.01 0.05 -0.12 0.68 0.00 0.00 0.00 174.94 175.54 2qbf s VAL 186 N 1.50 3.21 -0.05 2.92 -7.23 -0.96 -3.98 120.40 115.81 2qbf s VAL 186 Ca 0.02 -1.17 -0.02 0.00 -1.81 0.00 0.00 61.98 59.00 2qbf s VAL 186 Cb -0.17 -2.44 0.04 0.00 0.56 0.00 0.00 36.38 34.37 2qbf s VAL 186 CO 0.03 0.23 0.10 1.51 -0.31 0.00 0.00 175.10 176.66 2qbf s ASP 187 N -1.82 0.46 0.00 4.85 -4.77 -1.25 -1.93 116.67 112.21 2qbf s ASP 187 Ca 0.18 0.20 0.00 0.00 -3.30 0.00 0.00 52.55 49.63 2qbf s ASP 187 Cb -0.11 0.08 0.00 0.00 -1.09 0.00 0.00 42.92 41.80 2qbf s ASP 187 CO 0.10 -0.20 0.00 0.35 0.70 0.00 0.00 175.17 176.12 2qbf n THR 188 N 4.77 0.00 0.29 2.11 -2.24 -1.26 -0.98 114.28 116.97 2qbf n THR 188 Ca -0.15 0.00 0.17 0.00 -2.27 0.00 0.00 64.05 61.80 2qbf n THR 188 Cb 0.50 0.00 0.83 0.00 -2.10 0.00 0.00 70.33 69.56 2qbf n THR 188 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2qbf h ASN 189 N 0.00 0.00 -4.28 3.42 -1.07 -1.88 -2.08 115.58 109.69 2qbf h ASN 189 Ca 0.00 0.00 -0.51 0.00 0.07 0.00 0.00 56.30 55.86 2qbf h ASN 189 Cb 0.00 0.00 0.13 0.00 -2.07 0.00 0.00 38.32 36.38 2qbf h ASN 189 CO 0.00 0.00 0.32 -0.44 0.07 0.00 0.00 177.43 177.38 2qbf s SER 190 N -4.69 4.47 -0.33 6.14 0.01 -0.16 -4.60 113.70 114.54 2qbf s SER 190 Ca -0.04 1.73 -0.01 0.00 1.31 0.00 0.00 55.95 58.94 2qbf s SER 190 Cb 0.10 -2.45 0.07 0.00 0.21 0.00 0.00 66.02 63.96 2qbf s SER 190 CO 0.34 -2.04 0.05 -0.62 0.41 0.00 0.00 173.24 171.38 2qbf s ASP 191 N -3.47 4.93 0.07 2.44 2.15 -1.26 -4.59 116.67 116.94 2qbf s ASP 191 Ca 0.61 -1.59 0.20 0.00 0.43 0.00 0.00 52.55 52.21 2qbf s ASP 191 Cb -0.17 -1.72 0.84 0.00 -0.30 0.00 0.00 42.92 41.58 2qbf s ASP 191 CO 0.56 -0.34 1.64 -0.81 -0.17 0.00 0.00 175.17 176.05 2qbf n PRO 192 N 4.55 0.06 0.00 4.34 -0.04 -1.26 -3.58 135.00 139.07 2qbf n PRO 192 Ca -0.08 0.23 0.01 0.00 -0.04 0.00 0.00 63.50 63.62 2qbf n PRO 192 Cb 0.43 -1.60 0.06 0.00 -0.04 0.00 0.00 33.50 32.34 2qbf n PRO 192 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2qbf n ASP 193 N -1.72 0.00 -0.05 3.54 8.00 -1.26 -3.15 116.55 121.91 2qbf n ASP 193 Ca 0.04 0.30 -0.05 0.00 0.71 0.00 0.00 54.79 55.79 2qbf n ASP 193 Cb 0.24 -0.33 -0.02 0.00 -0.02 0.00 0.00 41.12 41.00 2qbf n ASP 193 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2qbf n GLY 194 N -1.11 -0.54 3.68 0.44 0.00 -1.23 -4.93 105.19 101.50 2qbf n GLY 194 Ca 0.01 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 2qbf n GLY 194 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qbf s VAL 195 N -2.02 2.73 -1.59 1.61 1.01 -1.19 -4.86 120.40 116.10 2qbf s VAL 195 Ca -0.15 0.05 0.30 0.00 0.00 0.00 0.00 61.98 62.18 2qbf s VAL 195 Cb 0.02 -3.03 0.60 0.00 0.00 0.00 0.00 36.38 33.97 2qbf s VAL 195 CO 0.23 -0.00 2.07 -0.90 0.00 0.00 0.00 175.10 176.49 2qbf n ASP 196 N 6.41 0.07 -3.41 3.32 5.68 -1.10 -4.15 116.55 123.37 2qbf n ASP 196 Ca 0.19 -0.39 -0.27 0.00 -0.50 0.00 0.00 54.79 53.82 2qbf n ASP 196 Cb 0.39 -0.20 -0.10 0.00 -1.14 0.00 0.00 41.12 40.08 2qbf n ASP 196 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 2qbf n PHE 197 N -1.17 -0.15 -1.76 2.11 3.72 -1.12 -5.01 117.46 114.08 2qbf n PHE 197 Ca 0.16 -3.51 -0.41 0.00 -0.05 0.00 0.00 57.45 53.65 2qbf n PHE 197 Cb 0.22 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.77 2qbf n PHE 197 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 2qbf n VAL 198 N 2.37 2.41 -3.35 -4.37 0.31 -1.26 -3.49 118.33 110.95 2qbf n VAL 198 Ca 0.27 -0.50 -0.26 0.00 -0.01 0.00 0.00 64.34 63.84 2qbf n VAL 198 Cb 0.47 -1.86 -0.09 0.00 -0.91 0.00 0.00 33.84 31.45 2qbf n VAL 198 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 2qbf n ILE 199 N 0.08 -0.80 -1.54 2.52 5.41 -0.85 -4.86 119.36 119.31 2qbf n ILE 199 Ca 0.04 -3.75 -0.21 0.00 1.00 0.00 0.00 62.75 59.83 2qbf n ILE 199 Cb 0.40 -1.80 -0.10 0.00 -0.71 0.00 0.00 39.64 37.43 2qbf n ILE 199 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 2qbf n PRO 200 N 2.24 0.51 -3.95 0.38 -0.04 -1.24 -2.25 135.00 130.64 2qbf n PRO 200 Ca 0.26 -0.47 -0.09 0.00 -0.04 0.00 0.00 63.50 63.16 2qbf n PRO 200 Cb 0.49 -2.99 -0.07 0.00 -0.04 0.00 0.00 33.50 30.89 2qbf n PRO 200 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2qbf s GLY 201 N 8.98 0.46 -0.26 0.55 0.00 -0.81 -4.78 107.32 111.46 2qbf s GLY 201 Ca 1.04 -0.87 -0.28 0.00 0.00 0.00 0.00 44.72 44.60 2qbf s GLY 201 CO 0.24 -0.84 1.89 0.21 0.00 0.00 0.00 173.10 174.60 2qbf s ASN 202 N -2.96 5.89 0.00 1.64 3.04 -1.25 -3.84 114.94 117.45 2qbf s ASN 202 Ca 0.16 1.60 0.15 0.00 0.04 0.00 0.00 52.86 54.82 2qbf s ASN 202 Cb 0.03 -2.52 0.85 0.00 -1.54 0.00 0.00 41.25 38.07 2qbf s ASN 202 CO -0.01 -1.66 1.37 -0.90 -3.04 0.00 0.00 177.10 172.86 2qbf n ASP 203 N 10.19 0.00 -0.83 -4.21 5.75 -1.26 -4.63 116.55 121.56 2qbf n ASP 203 Ca 0.24 -0.26 0.00 0.00 -0.01 0.00 0.00 54.79 54.76 2qbf n ASP 203 Cb 0.46 -0.12 0.00 0.00 -1.03 0.00 0.00 41.12 40.43 2qbf n ASP 203 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 2qbf n ASP 204 N -1.12 2.00 -1.57 -1.12 2.03 -1.26 -4.83 116.55 110.67 2qbf n ASP 204 Ca 0.10 -0.41 0.00 0.00 0.52 0.00 0.00 54.79 54.99 2qbf n ASP 204 Cb 0.08 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.48 2qbf n ASP 204 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2qbf n ALA 205 N -3.00 -2.43 -0.17 -1.67 0.00 -1.26 -4.15 120.51 107.83 2qbf n ALA 205 Ca 0.00 0.28 0.20 0.00 0.00 0.00 0.00 53.44 53.93 2qbf n ALA 205 Cb 0.00 -0.98 0.58 0.00 0.00 0.00 0.00 19.45 19.06 2qbf n ALA 205 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2qbf h ILE 206 N 2.52 0.69 -0.27 0.00 1.08 -1.97 0.41 117.51 119.97 2qbf h ILE 206 Ca 0.00 -0.09 -0.16 0.00 -0.39 0.00 0.00 64.86 64.22 2qbf h ILE 206 Cb 0.00 0.41 -0.00 0.00 -3.07 0.00 0.00 36.82 34.15 2qbf h ILE 206 CO 0.00 0.05 -0.49 -0.09 -0.69 0.00 0.00 178.15 176.93 2qbf h ARG 207 N 0.26 0.73 -0.26 2.37 9.65 -1.91 -3.02 114.38 122.20 2qbf h ARG 207 Ca 0.40 -0.43 -0.05 0.00 -1.10 0.00 0.00 59.98 58.80 2qbf h ARG 207 Cb 1.17 0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.78 2qbf h ARG 207 CO -0.10 1.05 -0.03 0.00 2.80 0.00 0.00 179.97 183.69 2qbf h ALA 208 N 0.87 0.36 0.83 2.80 0.00 -1.10 -2.30 119.26 120.72 2qbf h ALA 208 Ca 0.03 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 2qbf h ALA 208 Cb 1.05 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.76 2qbf h ALA 208 CO 0.10 0.13 -0.40 -0.39 0.00 0.00 0.00 179.25 178.69 2qbf h VAL 209 N 0.25 0.08 -0.89 0.00 -1.51 -1.48 -3.08 116.25 109.62 2qbf h VAL 209 Ca 0.07 -0.13 0.12 0.00 -1.23 0.00 0.00 66.70 65.52 2qbf h VAL 209 Cb 0.48 0.10 -0.07 0.00 -2.13 0.00 0.00 31.29 29.67 2qbf h VAL 209 CO 0.02 0.01 0.57 0.71 -1.23 0.00 0.00 177.57 177.65 2qbf h THR 210 N -1.23 0.91 -0.14 7.19 1.35 -1.63 -0.04 112.91 119.31 2qbf h THR 210 Ca -0.11 -0.28 0.01 0.00 -0.55 0.00 0.00 66.41 65.48 2qbf h THR 210 Cb 0.86 0.03 -0.02 0.00 -1.73 0.00 0.00 68.15 67.29 2qbf h THR 210 CO 0.19 0.15 -0.12 0.25 -0.25 0.00 0.00 175.52 175.73 2qbf h LEU 211 N 0.81 -0.42 -0.16 3.87 7.12 -1.31 -1.31 115.31 123.91 2qbf h LEU 211 Ca 0.43 0.06 -0.17 0.00 0.13 0.00 0.00 57.88 58.33 2qbf h LEU 211 Cb 0.54 0.18 -0.02 0.00 -0.53 0.00 0.00 40.66 40.82 2qbf h LEU 211 CO -0.19 -0.07 -0.79 0.22 -0.13 0.00 0.00 178.44 177.48 2qbf h TYR 212 N -0.04 0.00 -0.54 1.25 3.20 -1.56 -3.04 116.97 116.25 2qbf h TYR 212 Ca 0.02 0.00 0.10 0.00 3.14 0.00 0.00 58.73 61.99 2qbf h TYR 212 Cb 0.11 0.00 -0.08 0.00 1.54 0.00 0.00 36.73 38.29 2qbf h TYR 212 CO -0.78 0.79 0.07 -0.07 -1.64 0.00 0.00 178.16 176.52 2qbf h LEU 213 N 0.00 -0.09 -0.29 2.82 3.38 -0.59 0.11 115.31 120.65 2qbf h LEU 213 Ca -0.01 0.11 -0.20 0.00 0.09 0.00 0.00 57.88 57.87 2qbf h LEU 213 Cb 1.54 0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.46 2qbf h LEU 213 CO 0.10 -0.02 -0.77 1.23 0.09 0.00 0.00 178.44 179.06 2qbf h GLY 214 N 0.19 0.59 0.22 0.83 0.00 -1.33 -2.63 103.07 100.95 2qbf h GLY 214 Ca 0.28 -0.86 0.05 0.00 0.00 0.00 0.00 47.33 46.79 2qbf h GLY 214 CO -0.40 0.77 -0.29 0.00 0.00 0.00 0.00 176.54 176.62 2qbf h ALA 215 N 0.78 -0.32 0.17 3.60 0.00 -1.03 0.60 119.26 123.06 2qbf h ALA 215 Ca -0.04 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2qbf h ALA 215 Cb 1.37 0.55 0.00 0.00 0.00 0.00 0.00 17.79 19.71 2qbf h ALA 215 CO 0.14 -0.76 -0.08 -0.39 0.00 0.00 0.00 179.25 178.16 2qbf h VAL 216 N -0.37 0.89 -0.68 0.00 -1.51 -0.89 -2.67 116.25 111.02 2qbf h VAL 216 Ca 0.10 -0.25 0.12 0.00 -1.23 0.00 0.00 66.70 65.44 2qbf h VAL 216 Cb 0.51 1.04 -0.13 0.00 -2.13 0.00 0.00 31.29 30.58 2qbf h VAL 216 CO -0.33 0.06 -0.29 0.00 -1.23 0.00 0.00 177.57 175.78 2qbf h ALA 217 N 0.47 0.15 0.22 5.19 0.00 -1.07 -0.37 119.26 123.84 2qbf h ALA 217 Ca -0.02 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2qbf h ALA 217 Cb 0.27 0.74 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 2qbf h ALA 217 CO 0.04 -0.59 -0.42 0.00 0.00 0.00 0.00 179.25 178.28 2qbf h ALA 218 N 1.27 -0.98 -0.32 0.00 0.00 -0.77 0.69 119.26 119.15 2qbf h ALA 218 Ca 0.28 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 55.17 2qbf h ALA 218 Cb 0.56 0.75 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 2qbf h ALA 218 CO -0.74 -1.05 0.57 1.79 0.00 0.00 0.00 179.25 179.81 2qbf h THR 219 N -0.69 0.16 0.05 0.00 1.35 -0.98 -0.25 112.91 112.56 2qbf h THR 219 Ca -0.02 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.83 2qbf h THR 219 Cb 0.65 0.50 0.00 0.00 -1.73 0.00 0.00 68.15 67.58 2qbf h THR 219 CO -0.16 0.00 -0.02 0.58 -0.25 0.00 0.00 175.52 175.66 2qbf h VAL 220 N 0.00 1.22 -0.54 6.82 2.07 0.76 0.80 116.25 127.38 2qbf h VAL 220 Ca 0.15 -1.64 0.00 0.00 0.82 0.00 0.00 66.70 66.03 2qbf h VAL 220 Cb 1.29 2.20 -0.03 0.00 -1.52 0.00 0.00 31.29 33.23 2qbf h VAL 220 CO -0.00 0.37 0.34 0.08 0.02 0.00 0.00 177.57 178.38 2qbf h ARG 221 N -0.89 0.72 0.00 1.57 0.11 0.10 -0.95 114.38 115.05 2qbf h ARG 221 Ca -0.01 -0.05 -0.01 0.00 0.10 0.00 0.00 59.98 60.01 2qbf h ARG 221 Cb 0.66 -0.16 -0.00 0.00 1.11 0.00 0.00 29.97 31.58 2qbf h ARG 221 CO 0.01 0.50 -0.07 0.93 0.10 0.00 0.00 179.97 181.44 2qbf h GLU 222 N 0.72 0.00 -0.40 0.08 4.39 -1.27 -3.21 114.58 114.90 2qbf h GLU 222 Ca 0.19 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.91 2qbf h GLU 222 Cb -0.05 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.57 2qbf h GLU 222 CO -0.04 0.07 0.23 0.78 -1.16 0.00 0.00 179.01 178.88 2qbf h GLY 223 N 2.43 0.55 -5.99 -3.84 0.00 0.61 -3.24 103.07 93.58 2qbf h GLY 223 Ca -0.00 -0.17 -0.68 0.00 0.00 0.00 0.00 47.33 46.48 2qbf h GLY 223 CO 0.01 0.15 2.99 -0.96 0.00 0.00 0.00 176.54 178.72 2qbf n ARG 224 N -4.87 2.58 -0.49 4.80 1.85 -1.17 -3.54 116.66 115.82 2qbf n ARG 224 Ca 0.01 -2.34 0.00 0.00 -1.00 0.00 0.00 57.85 54.52 2qbf n ARG 224 Cb 0.07 -3.12 0.00 0.00 -1.05 0.00 0.00 32.46 28.35 2qbf n ARG 224 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05