#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qae s PRO 2 N 0.00 3.09 0.22 1.20 0.04 -1.26 -5.09 135.00 133.19 2qae s PRO 2 Ca 0.00 -0.85 0.07 0.00 0.04 0.00 0.00 61.00 60.26 2qae s PRO 2 Cb 0.00 -2.72 -0.04 0.00 0.04 0.00 0.00 34.50 31.78 2qae s PRO 2 CO 0.00 0.46 0.11 0.71 0.04 0.00 0.00 177.00 178.32 2qae s TYR 3 N -1.88 2.99 0.02 0.56 2.02 0.23 -4.99 117.35 116.30 2qae s TYR 3 Ca 0.33 -0.11 -0.13 0.00 -0.37 0.00 0.00 57.07 56.79 2qae s TYR 3 Cb -0.10 -1.39 -0.33 0.00 -0.40 0.00 0.00 41.96 39.74 2qae s TYR 3 CO 0.26 0.54 0.93 -0.44 -1.57 0.00 0.00 175.55 175.27 2qae h ASP 4 N 2.03 0.73 -3.65 2.29 3.45 -1.26 -1.02 116.42 118.99 2qae h ASP 4 Ca -0.47 -0.85 -0.21 0.00 0.43 0.00 0.00 57.03 55.93 2qae h ASP 4 Cb 1.22 -0.24 -0.28 0.00 -0.56 0.00 0.00 39.33 39.47 2qae h ASP 4 CO 0.61 1.68 -0.56 -0.69 -1.57 0.00 0.00 179.24 178.71 2qae s VAL 5 N -2.60 -0.02 -0.10 -1.35 1.01 -0.89 -1.82 120.40 114.63 2qae s VAL 5 Ca -0.10 0.07 0.03 0.00 0.00 0.00 0.00 61.98 61.97 2qae s VAL 5 Cb 0.05 -0.23 0.01 0.00 0.00 0.00 0.00 36.38 36.20 2qae s VAL 5 CO 0.92 0.03 -0.19 -0.69 0.00 0.00 0.00 175.10 175.17 2qae s VAL 6 N 0.50 1.69 -0.18 2.92 1.01 -0.39 -1.64 120.40 124.30 2qae s VAL 6 Ca -0.03 -0.79 -0.04 0.00 0.00 0.00 0.00 61.98 61.12 2qae s VAL 6 Cb -0.05 -1.50 -0.02 0.00 0.00 0.00 0.00 36.38 34.81 2qae s VAL 6 CO -0.02 0.48 -0.03 -0.69 0.00 0.00 0.00 175.10 174.84 2qae s VAL 7 N 0.62 3.80 -0.37 2.92 1.01 0.59 -0.48 120.40 128.49 2qae s VAL 7 Ca -0.14 -0.37 -0.11 0.00 0.00 0.00 0.00 61.98 61.35 2qae s VAL 7 Cb -0.16 -2.70 0.02 0.00 0.00 0.00 0.00 36.38 33.54 2qae s VAL 7 CO 0.04 0.45 0.21 -0.63 0.00 0.00 0.00 175.10 175.18 2qae s ILE 8 N 0.83 4.70 0.00 2.22 1.01 -0.03 -0.29 121.20 129.64 2qae s ILE 8 Ca -0.00 -0.75 0.00 0.00 0.00 0.00 0.00 60.65 59.89 2qae s ILE 8 Cb -0.14 -3.58 0.00 0.00 0.01 0.00 0.00 42.46 38.74 2qae s ILE 8 CO 0.02 -0.20 0.00 0.61 0.00 0.00 0.00 174.94 175.37 2qae n GLY 9 N 5.02 3.79 1.08 6.18 0.00 0.91 -0.24 105.19 121.94 2qae n GLY 9 Ca -0.12 -1.31 -0.01 0.00 0.00 0.00 0.00 46.02 44.58 2qae n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qae n GLY 10 N 0.21 4.73 0.00 -0.02 0.00 -1.26 -4.05 105.19 104.79 2qae n GLY 10 Ca 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.83 2qae n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qae n GLY 11 N -1.02 -1.14 0.36 -0.02 0.00 -1.26 -0.90 105.19 101.21 2qae n GLY 11 Ca 0.30 -1.66 0.16 0.00 0.00 0.00 0.00 46.02 44.83 2qae n GLY 11 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2qae h PRO 12 N 0.00 0.61 0.59 1.61 0.11 -1.91 0.27 132.00 133.28 2qae h PRO 12 Ca 0.00 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.04 2qae h PRO 12 Cb 0.00 -0.14 0.01 0.00 0.11 0.00 0.00 31.00 30.98 2qae h PRO 12 CO 0.00 0.41 -0.28 0.78 -0.21 0.00 0.00 178.00 178.69 2qae h GLY 13 N 0.63 -0.82 1.08 -0.55 0.00 -1.85 -3.08 103.07 98.47 2qae h GLY 13 Ca 0.60 0.31 -0.12 0.00 0.00 0.00 0.00 47.33 48.11 2qae h GLY 13 CO -0.39 -0.30 -0.18 -1.33 0.00 0.00 0.00 176.54 174.34 2qae h GLY 14 N -1.18 1.04 1.62 4.60 0.00 -1.50 -1.32 103.07 106.33 2qae h GLY 14 Ca -0.08 -0.90 -0.12 0.00 0.00 0.00 0.00 47.33 46.22 2qae h GLY 14 CO 0.13 0.82 -0.41 0.10 0.00 0.00 0.00 176.54 177.18 2qae h TYR 15 N 0.80 0.50 -0.17 5.60 -0.00 -0.65 -0.02 116.97 123.04 2qae h TYR 15 Ca 0.11 -0.14 -0.20 0.00 -0.00 0.00 0.00 58.73 58.50 2qae h TYR 15 Cb 0.75 -0.11 0.00 0.00 -0.00 0.00 0.00 36.73 37.38 2qae h TYR 15 CO 0.05 0.77 -0.70 0.28 -0.00 0.00 0.00 178.16 178.56 2qae h VAL 16 N 0.35 1.30 -0.73 -0.90 2.07 -1.48 -1.92 116.25 114.95 2qae h VAL 16 Ca 0.03 -1.95 -0.06 0.00 0.82 0.00 0.00 66.70 65.54 2qae h VAL 16 Cb 0.88 1.92 -0.03 0.00 -1.52 0.00 0.00 31.29 32.54 2qae h VAL 16 CO 0.07 0.61 0.20 0.00 0.02 0.00 0.00 177.57 178.48 2qae h ALA 17 N 0.70 0.98 -0.19 1.67 0.00 -1.08 -0.92 119.26 120.42 2qae h ALA 17 Ca -0.03 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 2qae h ALA 17 Cb 1.31 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 2qae h ALA 17 CO 0.14 0.67 0.11 0.77 0.00 0.00 0.00 179.25 180.93 2qae h SER 18 N 1.09 0.24 -0.44 0.00 0.02 -0.89 -0.72 113.55 112.85 2qae h SER 18 Ca 0.23 -0.09 -0.07 0.00 -0.84 0.00 0.00 61.79 61.02 2qae h SER 18 Cb 0.34 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 2qae h SER 18 CO -0.00 0.26 -0.01 0.40 -1.14 0.00 0.00 176.83 176.34 2qae h ILE 19 N 0.21 1.26 -0.57 3.27 2.04 -1.25 -1.92 117.51 120.55 2qae h ILE 19 Ca 0.07 -1.06 -0.10 0.00 1.00 0.00 0.00 64.86 64.77 2qae h ILE 19 Cb 0.07 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 2qae h ILE 19 CO -0.01 0.36 -0.05 0.50 0.00 0.00 0.00 178.15 178.96 2qae h LYS 20 N 0.63 1.04 -0.50 2.37 1.63 -1.10 -0.57 116.57 120.07 2qae h LYS 20 Ca 0.12 -0.35 -0.03 0.00 -0.85 0.00 0.00 60.65 59.54 2qae h LYS 20 Cb 0.51 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 32.04 2qae h LYS 20 CO 0.02 1.05 0.19 0.00 -3.45 0.00 0.00 179.45 177.26 2qae h ALA 21 N 0.96 0.65 -0.81 5.00 0.00 -1.09 -0.83 119.26 123.13 2qae h ALA 21 Ca 0.16 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2qae h ALA 21 Cb 0.61 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 2qae h ALA 21 CO 0.04 0.27 0.37 0.00 0.00 0.00 0.00 179.25 179.93 2qae h ALA 22 N 1.04 1.11 -0.20 0.00 0.00 -1.17 -1.46 119.26 118.58 2qae h ALA 22 Ca 0.16 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 2qae h ALA 22 Cb 0.22 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2qae h ALA 22 CO -0.01 0.66 -0.25 1.96 0.00 0.00 0.00 179.25 181.60 2qae h GLN 23 N 1.17 0.37 0.00 0.00 4.20 -0.82 -2.06 115.11 117.97 2qae h GLN 23 Ca 0.28 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.86 2qae h GLN 23 Cb 0.15 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.91 2qae h GLN 23 CO -0.03 0.60 0.00 1.28 -0.67 0.00 0.00 178.83 180.01 2qae n LEU 24 N -4.14 0.00 0.00 1.46 4.77 -0.34 -4.89 117.00 113.86 2qae n LEU 24 Ca -0.01 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 2qae n LEU 24 Cb 0.39 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 2qae n LEU 24 CO 0.41 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 2qae n GLY 25 N 0.80 0.50 3.77 -0.72 0.00 -0.77 -5.05 105.19 103.73 2qae n GLY 25 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.83 2qae n GLY 25 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2qae s MET 26 N -0.79 4.62 -0.38 1.61 -1.94 -0.60 -4.99 119.30 116.82 2qae s MET 26 Ca 0.00 1.21 -0.29 0.00 -1.71 0.00 0.00 55.69 54.90 2qae s MET 26 Cb 0.00 -3.27 0.01 0.00 2.01 0.00 0.00 34.83 33.58 2qae s MET 26 CO 0.00 0.55 1.39 0.21 -0.01 0.00 0.00 175.02 177.16 2qae s LYS 27 N -1.09 3.65 -0.03 2.03 2.20 -1.26 -4.07 119.74 121.17 2qae s LYS 27 Ca 0.37 1.02 0.07 0.00 -0.36 0.00 0.00 55.97 57.07 2qae s LYS 27 Cb -0.23 -3.99 -0.02 0.00 -1.51 0.00 0.00 37.83 32.07 2qae s LYS 27 CO 0.27 -1.46 -0.24 0.99 -0.36 0.00 0.00 175.35 174.54 2qae s THR 28 N 5.19 2.18 0.07 3.43 2.01 -1.26 -0.75 115.64 126.50 2qae s THR 28 Ca 0.60 -1.06 0.06 0.00 0.31 0.00 0.00 61.69 61.60 2qae s THR 28 Cb -0.14 -1.77 -0.03 0.00 0.01 0.00 0.00 72.50 70.57 2qae s THR 28 CO 0.30 0.58 -0.16 0.00 -0.69 0.00 0.00 174.62 174.65 2qae s ALA 29 N -0.59 1.39 -0.09 7.40 0.00 -0.65 -1.43 121.76 127.78 2qae s ALA 29 Ca 0.09 -1.01 0.01 0.00 0.00 0.00 0.00 51.96 51.05 2qae s ALA 29 Cb -0.10 -0.18 0.02 0.00 0.00 0.00 0.00 23.12 22.85 2qae s ALA 29 CO -0.00 0.25 -0.11 0.00 0.00 0.00 0.00 175.76 175.89 2qae s VAL 31 N 1.02 4.32 -0.02 0.00 1.01 0.60 -0.77 120.40 126.56 2qae s VAL 31 Ca -0.08 -0.18 -0.00 0.00 0.00 0.00 0.00 61.98 61.72 2qae s VAL 31 Cb -0.15 -2.97 0.03 0.00 0.00 0.00 0.00 36.38 33.29 2qae s VAL 31 CO -0.01 0.40 0.03 -0.70 0.00 0.00 0.00 175.10 174.83 2qae s GLU 32 N 1.03 -0.03 0.24 2.72 2.56 -0.53 -0.06 118.70 124.62 2qae s GLU 32 Ca 0.03 0.20 0.23 0.00 0.00 0.00 0.00 54.97 55.43 2qae s GLU 32 Cb -0.14 -0.28 0.09 0.00 2.00 0.00 0.00 34.13 35.79 2qae s GLU 32 CO 0.03 -0.18 1.16 1.57 -0.56 0.00 0.00 175.26 177.28 2qae h LYS 33 N 7.40 0.00 -0.12 4.30 2.10 -1.69 -0.96 116.57 127.60 2qae h LYS 33 Ca -0.43 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.18 2qae h LYS 33 Cb 1.12 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.44 2qae h LYS 33 CO 0.45 0.00 -0.10 -0.09 -2.00 0.00 0.00 179.45 177.71 2qae h ARG 34 N 0.00 0.18 0.00 0.07 2.43 -1.97 -3.43 114.38 111.66 2qae h ARG 34 Ca 0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2qae h ARG 34 Cb 0.98 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.50 2qae h ARG 34 CO 0.00 0.29 0.00 0.41 -1.51 0.00 0.00 179.97 179.16 2qae n GLY 35 N -1.02 0.51 3.38 2.80 0.00 -1.26 -5.05 105.19 104.55 2qae n GLY 35 Ca -0.01 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.86 2qae n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qae s ALA 36 N -2.00 -1.26 0.67 4.61 0.00 -1.26 -5.17 121.76 117.35 2qae s ALA 36 Ca 0.00 0.74 -0.04 0.00 0.00 0.00 0.00 51.96 52.66 2qae s ALA 36 Cb 0.00 0.12 0.07 0.00 0.00 0.00 0.00 23.12 23.31 2qae s ALA 36 CO 0.00 -0.36 0.94 -0.51 0.00 0.00 0.00 175.76 175.84 2qae s LEU 37 N -1.44 2.99 0.00 0.00 1.43 -1.26 -4.56 118.68 115.83 2qae s LEU 37 Ca -0.10 0.18 0.00 0.00 -1.03 0.00 0.00 54.13 53.17 2qae s LEU 37 Cb -0.02 -2.84 0.00 0.00 0.03 0.00 0.00 46.19 43.36 2qae s LEU 37 CO 0.05 -1.53 0.00 0.61 0.23 0.00 0.00 176.35 175.71 2qae n GLY 38 N -2.75 1.62 7.00 -3.19 0.00 -0.08 -4.75 105.19 103.05 2qae n GLY 38 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2qae n GLY 38 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qae n GLY 39 N -1.11 0.97 0.15 -0.02 0.00 -1.17 -1.93 105.19 102.09 2qae n GLY 39 Ca 0.00 -0.63 -0.08 0.00 0.00 0.00 0.00 46.02 45.31 2qae n GLY 39 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2qae h THR 40 N 0.00 1.05 0.05 2.61 2.02 -1.95 -2.82 112.91 113.87 2qae h THR 40 Ca 0.00 -0.14 0.03 0.00 0.77 0.00 0.00 66.41 67.07 2qae h THR 40 Cb 0.00 0.60 -0.04 0.00 -1.74 0.00 0.00 68.15 66.97 2qae h THR 40 CO 0.00 0.07 -0.27 0.00 0.37 0.00 0.00 175.52 175.69 2qae h LEU 42 N -0.45 0.65 0.12 0.00 4.07 -1.45 -0.05 115.31 118.20 2qae h LEU 42 Ca 0.05 -0.51 -0.29 0.00 0.08 0.00 0.00 57.88 57.21 2qae h LEU 42 Cb 0.51 -0.20 -0.00 0.00 1.08 0.00 0.00 40.66 42.04 2qae h LEU 42 CO -0.20 1.30 -1.48 0.78 -1.08 0.00 0.00 178.44 177.76 2qae h ASN 43 N 0.29 0.39 0.00 -0.43 4.21 -1.47 -3.40 115.58 115.17 2qae h ASN 43 Ca -0.09 -0.86 -0.10 0.00 1.21 0.00 0.00 56.30 56.47 2qae h ASN 43 Cb 1.58 -0.13 -0.21 0.00 -1.12 0.00 0.00 38.32 38.44 2qae h ASN 43 CO 0.17 1.65 -0.78 1.33 -1.29 0.00 0.00 177.43 178.51 2qae n VAL 44 N -3.88 0.00 0.00 2.81 0.24 0.16 -4.78 118.33 112.88 2qae n VAL 44 Ca -0.26 -0.53 0.00 0.00 -2.04 0.00 0.00 64.34 61.51 2qae n VAL 44 Cb 0.92 0.76 0.00 0.00 -1.47 0.00 0.00 33.84 34.05 2qae n VAL 44 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2qae n GLY 45 N 0.27 2.61 0.38 7.63 0.00 0.83 -4.61 105.19 112.30 2qae n GLY 45 Ca 0.03 -0.34 -0.10 0.00 0.00 0.00 0.00 46.02 45.62 2qae n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qae h ILE 47 N -0.33 0.76 -0.22 0.00 1.08 -1.61 -1.58 117.51 115.61 2qae h ILE 47 Ca 0.14 -0.81 -0.04 0.00 -0.39 0.00 0.00 64.86 63.76 2qae h ILE 47 Cb 0.58 1.17 -0.01 0.00 -3.07 0.00 0.00 36.82 35.49 2qae h ILE 47 CO -0.54 0.16 -0.05 1.55 -0.69 0.00 0.00 178.15 178.57 2qae h PRO 48 N -0.79 0.33 -0.25 2.37 0.13 -1.76 -0.64 132.00 131.40 2qae h PRO 48 Ca -0.03 -0.07 -0.06 0.00 -0.87 0.00 0.00 66.00 64.97 2qae h PRO 48 Cb 0.51 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.58 2qae h PRO 48 CO 0.05 0.41 -0.07 0.66 -0.23 0.00 0.00 178.00 178.82 2qae h SER 49 N 0.32 0.49 0.03 1.44 4.64 -1.39 -2.04 113.55 117.04 2qae h SER 49 Ca 0.07 -0.37 -0.09 0.00 -0.47 0.00 0.00 61.79 60.93 2qae h SER 49 Cb 0.30 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.25 2qae h SER 49 CO 0.01 0.75 -0.26 0.11 -0.87 0.00 0.00 176.83 176.57 2qae h LYS 50 N 0.22 0.38 -0.52 4.77 6.56 -1.01 0.25 116.57 127.22 2qae h LYS 50 Ca 0.06 -0.14 -0.02 0.00 -1.06 0.00 0.00 60.65 59.49 2qae h LYS 50 Cb 0.54 -0.03 -0.02 0.00 -0.57 0.00 0.00 32.23 32.15 2qae h LYS 50 CO 0.03 0.61 0.24 0.00 -2.06 0.00 0.00 179.45 178.27 2qae h ALA 51 N 1.39 0.67 -0.11 3.86 0.00 -1.00 -0.74 119.26 123.34 2qae h ALA 51 Ca 0.05 -0.13 -0.18 0.00 0.00 0.00 0.00 54.91 54.65 2qae h ALA 51 Cb 0.64 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 2qae h ALA 51 CO 0.05 0.25 -0.68 -0.07 0.00 0.00 0.00 179.25 178.80 2qae h LEU 52 N 0.70 0.53 -0.94 0.00 3.38 -1.10 -2.35 115.31 115.53 2qae h LEU 52 Ca 0.18 -0.33 -0.06 0.00 0.09 0.00 0.00 57.88 57.76 2qae h LEU 52 Cb 0.14 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 2qae h LEU 52 CO -0.02 1.06 0.14 -0.07 0.09 0.00 0.00 178.44 179.64 2qae h LEU 53 N 0.33 0.85 0.27 1.67 3.38 -0.81 -0.54 115.31 120.47 2qae h LEU 53 Ca -0.02 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 2qae h LEU 53 Cb 1.24 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.77 2qae h LEU 53 CO 0.12 0.83 -0.13 -0.74 0.09 0.00 0.00 178.44 178.61 2qae h HIS 54 N 0.87 -0.34 -0.75 1.13 2.76 -0.99 -0.48 115.15 117.34 2qae h HIS 54 Ca 0.19 -0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.38 2qae h HIS 54 Cb 0.32 0.11 -0.04 0.00 1.55 0.00 0.00 27.41 29.35 2qae h HIS 54 CO 0.02 -0.07 0.48 0.00 -1.30 0.00 0.00 177.93 177.06 2qae h ALA 55 N 0.06 0.98 0.00 5.26 0.00 -1.37 -1.77 119.26 122.42 2qae h ALA 55 Ca -0.04 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 2qae h ALA 55 Cb 0.43 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2qae h ALA 55 CO 0.06 0.28 -0.48 1.79 0.00 0.00 0.00 179.25 180.91 2qae h THR 56 N 0.94 1.11 -0.53 0.00 1.35 -1.10 -2.44 112.91 112.23 2qae h THR 56 Ca 0.30 -1.78 -0.12 0.00 -0.55 0.00 0.00 66.41 64.25 2qae h THR 56 Cb -0.00 2.03 -0.02 0.00 -1.73 0.00 0.00 68.15 68.43 2qae h THR 56 CO -0.10 0.47 -0.14 -0.74 -0.25 0.00 0.00 175.52 174.76 2qae h HIS 57 N 0.00 1.15 -0.86 4.73 6.17 -0.25 -0.61 115.15 125.47 2qae h HIS 57 Ca -0.00 -0.25 -0.01 0.00 0.71 0.00 0.00 60.37 60.82 2qae h HIS 57 Cb 0.99 -0.28 -0.04 0.00 2.52 0.00 0.00 27.41 30.60 2qae h HIS 57 CO 0.00 1.08 0.52 -0.07 0.71 0.00 0.00 177.93 180.17 2qae h LEU 58 N 0.89 1.04 -0.22 0.26 3.38 -1.14 -0.64 115.31 118.88 2qae h LEU 58 Ca 0.13 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 2qae h LEU 58 Cb 0.71 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 2qae h LEU 58 CO 0.05 0.80 0.08 0.22 0.09 0.00 0.00 178.44 179.68 2qae h TYR 59 N 1.19 0.34 -0.48 1.13 3.20 -1.17 -1.37 116.97 119.81 2qae h TYR 59 Ca 0.31 -0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.15 2qae h TYR 59 Cb -0.04 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.10 2qae h TYR 59 CO -0.00 0.40 0.30 1.25 -1.64 0.00 0.00 178.16 178.46 2qae h HIS 60 N 0.19 0.63 -0.60 -3.82 2.76 -0.79 -2.57 115.15 110.96 2qae h HIS 60 Ca 0.07 0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.26 2qae h HIS 60 Cb 0.21 -0.21 -0.03 0.00 1.55 0.00 0.00 27.41 28.93 2qae h HIS 60 CO -0.00 0.43 0.38 -0.44 -1.30 0.00 0.00 177.93 177.01 2qae h ASP 61 N 0.65 0.65 -0.93 3.26 3.45 -0.97 0.39 116.42 122.92 2qae h ASP 61 Ca 0.17 -0.01 0.07 0.00 0.43 0.00 0.00 57.03 57.70 2qae h ASP 61 Cb -0.02 -0.15 -0.07 0.00 -0.56 0.00 0.00 39.33 38.53 2qae h ASP 61 CO -0.03 0.46 0.58 0.00 -1.57 0.00 0.00 179.24 178.69 2qae h ALA 62 N 1.23 1.30 0.18 3.45 0.00 -0.95 0.19 119.26 124.67 2qae h ALA 62 Ca 0.23 -0.01 -0.33 0.00 0.00 0.00 0.00 54.91 54.80 2qae h ALA 62 Cb -0.05 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 17.50 2qae h ALA 62 CO -0.07 0.32 -1.56 0.45 0.00 0.00 0.00 179.25 178.40 2qae h HIS 63 N 1.04 0.70 0.04 0.00 3.86 -1.03 -3.35 115.15 116.41 2qae h HIS 63 Ca 0.41 -0.51 -0.35 0.00 -1.16 0.00 0.00 60.37 58.77 2qae h HIS 63 Cb 0.22 -0.03 -0.05 0.00 1.06 0.00 0.00 27.41 28.62 2qae h HIS 63 CO -0.02 1.52 -2.06 0.00 0.86 0.00 0.00 177.93 178.23 2qae n ALA 64 N -2.73 1.29 0.04 2.45 0.00 0.13 -4.75 120.51 116.95 2qae n ALA 64 Ca -0.18 -0.87 0.02 0.00 0.00 0.00 0.00 53.44 52.41 2qae n ALA 64 Cb 1.07 -0.55 -0.03 0.00 0.00 0.00 0.00 19.45 19.94 2qae n ALA 64 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2qae n ASN 65 N -3.17 3.16 -0.24 0.00 3.02 0.54 -4.77 115.26 113.81 2qae n ASN 65 Ca -0.30 -0.14 0.04 0.00 -0.03 0.00 0.00 54.58 54.16 2qae n ASN 65 Cb 1.06 1.14 0.16 0.00 -0.61 0.00 0.00 39.78 41.53 2qae n ASN 65 CO 0.00 0.00 0.00 -0.26 -2.62 0.00 0.00 177.26 174.38 2qae h PHE 66 N 0.00 0.30 -0.77 3.10 0.05 -1.30 -2.07 116.94 116.25 2qae h PHE 66 Ca 0.00 0.04 0.05 0.00 3.82 0.00 0.00 57.97 61.88 2qae h PHE 66 Cb 0.16 -0.03 -0.05 0.00 2.00 0.00 0.00 35.95 38.04 2qae h PHE 66 CO 0.00 -0.04 0.51 0.00 -0.18 0.00 0.00 178.31 178.60 2qae h ALA 67 N 1.56 1.61 -0.54 2.45 0.00 -1.83 -1.74 119.26 120.77 2qae h ALA 67 Ca 0.39 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.34 2qae h ALA 67 Cb 0.62 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 2qae h ALA 67 CO -0.46 0.29 0.36 -0.09 0.00 0.00 0.00 179.25 179.35 2qae h ARG 68 N 0.87 0.42 -0.01 0.00 2.43 -1.68 -1.69 114.38 114.72 2qae h ARG 68 Ca 0.32 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.47 2qae h ARG 68 Cb 0.17 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 2qae h ARG 68 CO -0.11 0.28 -0.28 0.66 -1.51 0.00 0.00 179.97 179.01 2qae n TYR 69 N -4.47 0.00 0.00 2.20 4.02 -0.72 -4.92 117.16 113.26 2qae n TYR 69 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.97 2qae n TYR 69 Cb 0.29 -0.17 0.00 0.00 -0.02 0.00 0.00 39.34 39.44 2qae n TYR 69 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2qae n GLY 70 N 1.37 0.86 3.68 2.72 0.00 -0.64 -5.08 105.19 108.11 2qae n GLY 70 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 2qae n GLY 70 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qae s LEU 71 N 0.00 4.20 0.08 0.99 1.02 -0.79 -4.99 118.68 119.19 2qae s LEU 71 Ca 0.00 0.88 0.03 0.00 0.02 0.00 0.00 54.13 55.06 2qae s LEU 71 Cb 0.00 -2.87 -0.04 0.00 0.02 0.00 0.00 46.19 43.30 2qae s LEU 71 CO 0.00 -0.19 0.07 -0.04 0.02 0.00 0.00 176.35 176.21 2qae s MET 72 N 1.46 2.84 0.00 1.70 -1.94 -1.26 -3.10 119.30 119.01 2qae s MET 72 Ca 0.29 -0.71 0.00 0.00 -1.71 0.00 0.00 55.69 53.56 2qae s MET 72 Cb -0.16 -2.70 0.00 0.00 2.01 0.00 0.00 34.83 33.98 2qae s MET 72 CO 0.12 0.56 0.00 0.41 -0.01 0.00 0.00 175.02 176.10 2qae n GLY 73 N 0.46 0.71 0.25 -0.03 0.00 -1.26 -4.95 105.19 100.37 2qae n GLY 73 Ca -0.09 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.00 2qae n GLY 73 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2qae h GLY 74 N 0.00 0.05 2.00 -0.02 0.00 -1.81 -1.39 103.07 101.90 2qae h GLY 74 Ca 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 47.33 47.31 2qae h GLY 74 CO 0.00 0.02 -0.01 0.83 0.00 0.00 0.00 176.54 177.38 2qae h GLU 75 N 0.04 0.00 -0.05 4.80 3.07 -1.88 -1.92 114.58 118.64 2qae h GLU 75 Ca 0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 2qae h GLU 75 Cb 0.07 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.98 2qae h GLU 75 CO 0.00 0.01 0.00 0.41 -1.40 0.00 0.00 179.01 178.03 2qae n GLY 76 N -1.30 -0.55 3.72 -3.84 0.00 -0.52 -4.85 105.19 97.84 2qae n GLY 76 Ca -0.03 -0.23 -0.40 0.00 0.00 0.00 0.00 46.02 45.36 2qae n GLY 76 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qae s VAL 77 N -1.93 4.97 0.21 1.61 1.01 -0.72 -5.05 120.40 120.50 2qae s VAL 77 Ca 0.31 1.50 0.08 0.00 0.00 0.00 0.00 61.98 63.87 2qae s VAL 77 Cb 0.15 -4.06 -0.05 0.00 0.00 0.00 0.00 36.38 32.42 2qae s VAL 77 CO 0.24 0.28 -0.16 0.42 0.00 0.00 0.00 175.10 175.88 2qae s THR 78 N 0.59 1.86 -0.22 3.92 -4.23 -1.26 -5.00 115.64 111.30 2qae s THR 78 Ca 0.38 -2.23 -0.06 0.00 -1.18 0.00 0.00 61.69 58.60 2qae s THR 78 Cb -0.18 -2.07 -0.02 0.00 1.34 0.00 0.00 72.50 71.56 2qae s THR 78 CO 0.19 -0.55 0.03 -0.32 -0.54 0.00 0.00 174.62 173.43 2qae s MET 79 N -3.57 3.62 -0.59 3.99 1.75 -1.26 -5.05 119.30 118.19 2qae s MET 79 Ca 0.23 -0.51 -0.24 0.00 -1.25 0.00 0.00 55.69 53.92 2qae s MET 79 Cb -0.02 -3.18 0.05 0.00 2.84 0.00 0.00 34.83 34.52 2qae s MET 79 CO 0.08 -0.08 0.98 0.34 -0.65 0.00 0.00 175.02 175.69 2qae s ASP 80 N 1.28 6.30 0.55 1.11 3.68 -1.26 -4.91 116.67 123.42 2qae s ASP 80 Ca 0.04 -0.47 0.26 0.00 2.13 0.00 0.00 52.55 54.50 2qae s ASP 80 Cb -0.15 -2.44 1.59 0.00 -1.45 0.00 0.00 42.92 40.47 2qae s ASP 80 CO 0.02 -1.32 2.18 0.77 0.13 0.00 0.00 175.17 176.95 2qae h SER 81 N 9.42 0.00 -0.25 -0.34 4.64 -1.97 -0.31 113.55 124.74 2qae h SER 81 Ca -0.27 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 60.91 2qae h SER 81 Cb 1.07 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.16 2qae h SER 81 CO 1.12 0.04 -0.41 0.00 -0.87 0.00 0.00 176.83 176.72 2qae h ALA 82 N 1.96 0.39 -0.15 5.18 0.00 -1.91 -1.76 119.26 122.96 2qae h ALA 82 Ca -0.00 -0.46 -0.15 0.00 0.00 0.00 0.00 54.91 54.31 2qae h ALA 82 Cb 0.10 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2qae h ALA 82 CO 0.01 0.50 -0.53 0.87 0.00 0.00 0.00 179.25 180.09 2qae h LYS 83 N 0.45 0.44 -0.26 0.00 1.57 -1.78 -1.38 116.57 115.61 2qae h LYS 83 Ca 0.02 -0.27 -0.01 0.00 -1.87 0.00 0.00 60.65 58.53 2qae h LYS 83 Cb 1.01 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.33 2qae h LYS 83 CO 0.09 0.86 0.14 1.98 -0.57 0.00 0.00 179.45 181.95 2qae h MET 84 N 0.34 0.36 -0.27 3.15 4.05 -1.00 -1.81 114.93 119.75 2qae h MET 84 Ca 0.01 -0.05 -0.06 0.00 -0.28 0.00 0.00 59.70 59.32 2qae h MET 84 Cb 1.05 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 31.76 2qae h MET 84 CO 0.09 0.34 -0.11 1.96 0.23 0.00 0.00 176.91 179.42 2qae h GLN 85 N 0.30 0.45 -0.68 0.39 1.08 -1.14 -2.21 115.11 113.30 2qae h GLN 85 Ca 0.09 -0.12 -0.07 0.00 -1.45 0.00 0.00 58.65 57.10 2qae h GLN 85 Cb 0.08 -0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 27.43 2qae h GLN 85 CO -0.01 0.56 0.14 0.37 -0.95 0.00 0.00 178.83 178.94 2qae h GLN 86 N 0.42 1.10 -0.52 1.46 4.15 -0.92 -0.94 115.11 119.86 2qae h GLN 86 Ca 0.08 -0.28 -0.11 0.00 0.77 0.00 0.00 58.65 59.11 2qae h GLN 86 Cb 0.45 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.99 2qae h GLN 86 CO 0.03 0.99 -0.11 0.37 -1.93 0.00 0.00 178.83 178.18 2qae h GLN 87 N 1.03 0.99 -0.47 1.69 5.75 -1.09 -1.26 115.11 121.74 2qae h GLN 87 Ca 0.21 -0.36 0.01 0.00 -0.15 0.00 0.00 58.65 58.36 2qae h GLN 87 Cb 0.41 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 28.87 2qae h GLN 87 CO 0.01 1.04 0.30 -0.22 -2.65 0.00 0.00 178.83 177.31 2qae h LYS 88 N 0.88 0.60 -0.54 1.69 3.64 -1.07 -0.51 116.57 121.26 2qae h LYS 88 Ca 0.14 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.42 2qae h LYS 88 Cb 0.67 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.33 2qae h LYS 88 CO 0.05 0.40 0.09 0.93 -2.27 0.00 0.00 179.45 178.65 2qae h GLU 89 N 0.62 0.85 -0.52 1.90 5.08 -0.93 -0.91 114.58 120.67 2qae h GLU 89 Ca 0.18 -0.19 0.01 0.00 -1.00 0.00 0.00 59.36 58.36 2qae h GLU 89 Cb -0.04 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.06 2qae h GLU 89 CO -0.05 0.79 0.34 -0.09 -1.00 0.00 0.00 179.01 178.99 2qae h ARG 90 N 0.81 0.66 -0.42 2.33 2.43 -0.64 0.12 114.38 119.67 2qae h ARG 90 Ca 0.17 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.25 2qae h ARG 90 Cb 0.35 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.73 2qae h ARG 90 CO 0.01 0.44 0.06 0.00 -1.51 0.00 0.00 179.97 178.96 2qae h ALA 91 N 1.20 0.56 -0.56 2.80 0.00 -0.51 -1.09 119.26 121.66 2qae h ALA 91 Ca 0.19 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2qae h ALA 91 Cb -0.06 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 2qae h ALA 91 CO -0.05 0.29 0.32 0.28 0.00 0.00 0.00 179.25 180.08 2qae h VAL 92 N 0.56 1.18 -0.93 0.00 2.07 -0.78 -2.67 116.25 115.68 2qae h VAL 92 Ca 0.13 -0.44 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 2qae h VAL 92 Cb 0.39 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 30.57 2qae h VAL 92 CO 0.01 0.19 0.56 0.50 0.02 0.00 0.00 177.57 178.85 2qae h LYS 93 N 0.75 1.25 -0.69 1.57 1.63 -0.54 -1.10 116.57 119.44 2qae h LYS 93 Ca 0.20 -0.11 -0.04 0.00 -0.85 0.00 0.00 60.65 59.85 2qae h LYS 93 Cb 0.03 -0.26 -0.03 0.00 -0.60 0.00 0.00 32.23 31.36 2qae h LYS 93 CO -0.03 0.87 0.28 0.78 -3.45 0.00 0.00 179.45 177.90 2qae h GLY 94 N 1.28 1.09 0.91 5.01 0.00 -0.87 -1.90 103.07 108.58 2qae h GLY 94 Ca 0.33 -0.56 -0.20 0.00 0.00 0.00 0.00 47.33 46.90 2qae h GLY 94 CO -0.06 0.53 -0.83 1.41 0.00 0.00 0.00 176.54 177.59 2qae h LEU 95 N 1.00 0.64 -0.66 3.11 3.38 -1.17 -2.43 115.31 119.17 2qae h LEU 95 Ca 0.23 -0.81 -0.13 0.00 0.09 0.00 0.00 57.88 57.26 2qae h LEU 95 Cb 0.18 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2qae h LEU 95 CO -0.02 1.38 -0.39 0.71 0.09 0.00 0.00 178.44 180.21 2qae h THR 96 N -0.02 1.29 -0.44 0.22 1.35 -1.22 -2.33 112.91 111.75 2qae h THR 96 Ca -0.12 -1.55 -0.09 0.00 -0.55 0.00 0.00 66.41 64.10 2qae h THR 96 Cb 1.55 1.51 -0.02 0.00 -1.73 0.00 0.00 68.15 69.47 2qae h THR 96 CO 0.16 0.49 -0.10 1.23 -0.25 0.00 0.00 175.52 177.05 2qae h GLY 97 N 1.02 0.85 1.21 5.82 0.00 -1.44 -2.78 103.07 107.75 2qae h GLY 97 Ca 0.05 -0.64 0.02 0.00 0.00 0.00 0.00 47.33 46.76 2qae h GLY 97 CO 0.08 0.59 0.49 -1.33 0.00 0.00 0.00 176.54 176.37 2qae h GLY 98 N 0.97 1.05 1.28 4.60 0.00 -0.99 -2.08 103.07 107.90 2qae h GLY 98 Ca 0.12 -0.38 -0.11 0.00 0.00 0.00 0.00 47.33 46.97 2qae h GLY 98 CO 0.04 0.35 -0.16 -2.08 0.00 0.00 0.00 176.54 174.69 2qae h VAL 99 N 0.97 1.27 -0.85 4.60 2.07 -1.16 -1.39 116.25 121.76 2qae h VAL 99 Ca 0.29 -1.26 0.00 0.00 0.82 0.00 0.00 66.70 66.55 2qae h VAL 99 Cb -0.04 1.09 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 2qae h VAL 99 CO -0.07 0.43 0.54 -0.33 0.02 0.00 0.00 177.57 178.16 2qae h GLU 100 N 0.74 1.13 -0.64 1.57 5.08 -1.27 -0.36 114.58 120.84 2qae h GLU 100 Ca 0.11 -0.08 -0.09 0.00 -1.00 0.00 0.00 59.36 58.31 2qae h GLU 100 Cb 0.67 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 2qae h GLU 100 CO 0.05 0.76 0.06 -0.92 -1.00 0.00 0.00 179.01 177.97 2qae h TYR 101 N 1.16 1.17 -0.34 4.33 3.20 -0.88 -1.67 116.97 123.93 2qae h TYR 101 Ca 0.31 -0.18 -0.05 0.00 3.14 0.00 0.00 58.73 61.95 2qae h TYR 101 Cb -0.10 -0.31 -0.02 0.00 1.54 0.00 0.00 36.73 37.84 2qae h TYR 101 CO 0.00 1.00 0.01 -0.07 -1.64 0.00 0.00 178.16 177.47 2qae h LEU 102 N 1.00 0.48 -0.29 2.82 3.38 -0.44 0.23 115.31 122.49 2qae h LEU 102 Ca 0.19 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 2qae h LEU 102 Cb 0.49 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2qae h LEU 102 CO 0.02 0.54 0.02 -0.26 0.09 0.00 0.00 178.44 178.85 2qae h PHE 103 N 0.50 0.55 0.10 1.13 0.05 -0.61 -0.50 116.94 118.17 2qae h PHE 103 Ca 0.11 -0.09 -0.01 0.00 3.82 0.00 0.00 57.97 61.81 2qae h PHE 103 Cb 0.30 -0.15 0.00 0.00 2.00 0.00 0.00 35.95 38.11 2qae h PHE 103 CO 0.01 0.63 -0.05 -0.22 -0.18 0.00 0.00 178.31 178.50 2qae h LYS 104 N 0.31 -0.13 -0.95 1.51 3.64 -0.77 0.14 116.57 120.32 2qae h LYS 104 Ca 0.09 0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.58 2qae h LYS 104 Cb 0.40 0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 32.17 2qae h LYS 104 CO 0.01 -0.08 0.61 -0.22 -2.27 0.00 0.00 179.45 177.50 2qae h LYS 105 N -0.15 0.93 -0.13 1.90 3.64 -0.43 -1.98 116.57 120.35 2qae h LYS 105 Ca -0.01 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 2qae h LYS 105 Cb 0.12 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 2qae h LYS 105 CO 0.02 0.62 0.00 0.09 -2.27 0.00 0.00 179.45 177.91 2qae n ASN 106 N -4.56 2.18 -2.83 4.20 3.02 -0.21 -4.96 115.26 112.11 2qae n ASN 106 Ca 0.17 -1.75 -0.18 0.00 -0.03 0.00 0.00 54.58 52.79 2qae n ASN 106 Cb 0.31 -0.07 0.06 0.00 -0.61 0.00 0.00 39.78 39.47 2qae n ASN 106 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2qae n LYS 107 N 0.68 -5.96 -3.21 3.52 4.76 -0.09 -4.72 118.16 113.13 2qae n LYS 107 Ca 0.17 0.64 -0.39 0.00 -2.87 0.00 0.00 58.31 55.86 2qae n LYS 107 Cb 0.44 -5.09 -0.06 0.00 -1.84 0.00 0.00 35.03 28.49 2qae n LYS 107 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2qae s VAL 108 N -3.23 4.98 -0.12 -0.18 1.01 0.29 -4.69 120.40 118.47 2qae s VAL 108 Ca 0.44 1.21 -0.25 0.00 0.00 0.00 0.00 61.98 63.38 2qae s VAL 108 Cb -0.19 -3.92 -0.02 0.00 0.00 0.00 0.00 36.38 32.24 2qae s VAL 108 CO 0.54 0.38 0.79 -0.89 0.00 0.00 0.00 175.10 175.92 2qae s THR 109 N 0.06 4.95 -0.26 3.92 2.01 -0.52 -4.57 115.64 121.22 2qae s THR 109 Ca 0.31 1.58 -0.07 0.00 0.31 0.00 0.00 61.69 63.82 2qae s THR 109 Cb -0.18 -4.11 -0.01 0.00 0.01 0.00 0.00 72.50 68.21 2qae s THR 109 CO 0.16 0.13 0.06 -0.47 -0.69 0.00 0.00 174.62 173.81 2qae s TYR 110 N 1.53 3.09 -0.20 4.92 5.04 -1.26 -0.52 117.35 129.95 2qae s TYR 110 Ca 0.39 -0.68 -0.07 0.00 -2.44 0.00 0.00 57.07 54.27 2qae s TYR 110 Cb -0.17 -2.23 -0.03 0.00 0.35 0.00 0.00 41.96 39.87 2qae s TYR 110 CO 0.16 -0.46 0.05 0.71 -1.34 0.00 0.00 175.55 174.66 2qae s TYR 111 N 1.56 3.15 -0.49 4.97 1.51 0.05 -4.98 117.35 123.12 2qae s TYR 111 Ca 0.05 -0.17 -0.18 0.00 -1.01 0.00 0.00 57.07 55.76 2qae s TYR 111 Cb -0.16 -2.11 0.06 0.00 -0.11 0.00 0.00 41.96 39.64 2qae s TYR 111 CO 0.02 -0.06 0.55 0.15 -1.11 0.00 0.00 175.55 175.10 2qae s LYS 112 N 0.82 3.08 0.00 -0.62 1.02 -1.26 -1.45 119.74 121.32 2qae s LYS 112 Ca 0.03 -1.03 0.00 0.00 0.02 0.00 0.00 55.97 54.98 2qae s LYS 112 Cb -0.14 -4.11 0.00 0.00 -0.52 0.00 0.00 37.83 33.07 2qae s LYS 112 CO 0.02 -1.15 0.00 0.41 -0.92 0.00 0.00 175.35 173.71 2qae n GLY 113 N 5.18 -2.16 3.75 -3.33 0.00 -0.37 -1.70 105.19 106.57 2qae n GLY 113 Ca -0.08 -1.21 -0.37 0.00 0.00 0.00 0.00 46.02 44.36 2qae n GLY 113 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2qae s GLU 114 N -1.86 4.21 -0.04 1.61 2.12 -0.87 -1.99 118.70 121.87 2qae s GLU 114 Ca 0.00 0.33 -0.05 0.00 0.36 0.00 0.00 54.97 55.61 2qae s GLU 114 Cb 0.00 -3.38 -0.04 0.00 0.26 0.00 0.00 34.13 30.97 2qae s GLU 114 CO 0.00 0.31 0.19 0.20 -0.54 0.00 0.00 175.26 175.43 2qae s GLY 115 N 0.16 2.19 -0.03 -1.50 0.00 -1.26 -0.81 107.32 106.07 2qae s GLY 115 Ca 0.23 -0.67 -0.06 0.00 0.00 0.00 0.00 44.72 44.22 2qae s GLY 115 CO 0.09 -0.48 0.13 -0.45 0.00 0.00 0.00 173.10 172.39 2qae s SER 116 N -1.56 -0.06 0.10 1.64 0.15 0.28 -4.51 113.70 109.75 2qae s SER 116 Ca 0.23 0.05 -0.29 0.00 0.70 0.00 0.00 55.95 56.64 2qae s SER 116 Cb -0.13 0.25 -0.06 0.00 -1.71 0.00 0.00 66.02 64.38 2qae s SER 116 CO 0.13 -0.19 0.93 -0.36 1.20 0.00 0.00 173.24 174.94 2qae s PHE 117 N -0.60 3.80 -0.25 3.44 0.08 -0.01 -0.37 117.98 124.06 2qae s PHE 117 Ca -0.07 1.74 -0.13 0.00 0.12 0.00 0.00 56.93 58.59 2qae s PHE 117 Cb -0.04 -3.01 -0.11 0.00 -0.57 0.00 0.00 43.02 39.29 2qae s PHE 117 CO 0.01 0.22 -0.33 -1.91 -0.10 0.00 0.00 175.22 173.10 2qae n GLU 118 N 2.81 0.54 -4.24 0.44 4.07 0.43 -4.78 120.64 119.91 2qae n GLU 118 Ca 0.01 0.24 -0.17 0.00 -0.06 0.00 0.00 57.16 57.18 2qae n GLU 118 Cb 0.49 -1.41 -0.08 0.00 -0.06 0.00 0.00 31.44 30.39 2qae n GLU 118 CO 0.00 0.00 0.00 0.95 -0.06 0.00 0.00 177.13 178.02 2qae s THR 119 N -2.50 0.00 -0.35 6.31 -4.23 -1.01 -4.90 115.64 108.96 2qae s THR 119 Ca -0.35 -1.94 0.22 0.00 -1.18 0.00 0.00 61.69 58.44 2qae s THR 119 Cb 0.13 -2.51 0.23 0.00 1.34 0.00 0.00 72.50 71.68 2qae s THR 119 CO 0.45 0.00 1.68 0.00 -0.54 0.00 0.00 174.62 176.20 2qae n ALA 120 N -0.55 1.35 -0.09 3.99 0.00 -1.26 -2.52 120.51 121.43 2qae n ALA 120 Ca 0.05 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.63 2qae n ALA 120 Cb 0.63 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.73 2qae n ALA 120 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2qae n HIS 121 N -2.24 0.00 -4.07 0.00 8.25 -1.26 -4.81 115.22 111.09 2qae n HIS 121 Ca 0.00 -0.31 -0.20 0.00 -0.26 0.00 0.00 57.72 56.96 2qae n HIS 121 Cb 0.13 -0.03 -0.16 0.00 1.12 0.00 0.00 29.99 31.05 2qae n HIS 121 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2qae s SER 122 N -0.61 0.98 -0.12 0.41 1.04 -1.05 -1.86 113.70 112.49 2qae s SER 122 Ca 0.00 -0.11 0.03 0.00 0.48 0.00 0.00 55.95 56.35 2qae s SER 122 Cb 0.00 -0.42 0.00 0.00 0.10 0.00 0.00 66.02 65.70 2qae s SER 122 CO 0.00 -0.08 -0.22 -0.63 0.98 0.00 0.00 173.24 173.29 2qae s ILE 123 N 1.09 2.15 -0.08 -1.02 1.01 -0.26 -0.43 121.20 123.66 2qae s ILE 123 Ca -0.09 -0.97 -0.18 0.00 0.00 0.00 0.00 60.65 59.41 2qae s ILE 123 Cb -0.14 -1.84 -0.05 0.00 0.01 0.00 0.00 42.46 40.44 2qae s ILE 123 CO -0.01 0.55 0.50 -0.60 0.00 0.00 0.00 174.94 175.38 2qae s ARG 124 N 0.52 4.30 -0.25 2.79 3.52 0.50 0.07 118.95 130.40 2qae s ARG 124 Ca -0.14 0.52 -0.03 0.00 -0.13 0.00 0.00 55.73 55.94 2qae s ARG 124 Cb -0.17 -3.40 0.01 0.00 -1.56 0.00 0.00 34.95 29.83 2qae s ARG 124 CO 0.05 0.24 -0.03 0.08 -0.81 0.00 0.00 175.30 174.83 2qae s VAL 125 N 0.32 3.20 -0.78 7.11 1.01 0.62 -0.55 120.40 131.33 2qae s VAL 125 Ca 0.27 -0.81 -0.18 0.00 0.00 0.00 0.00 61.98 61.27 2qae s VAL 125 Cb -0.16 -2.58 0.14 0.00 0.00 0.00 0.00 36.38 33.78 2qae s VAL 125 CO 0.12 0.25 0.90 0.21 0.00 0.00 0.00 175.10 176.58 2qae s ASN 126 N 1.40 6.49 0.62 3.32 3.04 0.01 -1.59 114.94 128.24 2qae s ASN 126 Ca 0.02 -1.94 -0.18 0.00 0.04 0.00 0.00 52.86 50.80 2qae s ASN 126 Cb -0.16 -2.32 -0.05 0.00 -1.54 0.00 0.00 41.25 37.18 2qae s ASN 126 CO -0.03 -0.99 0.85 0.61 -3.04 0.00 0.00 177.10 174.51 2qae n GLY 127 N 5.05 -0.63 0.23 1.21 0.00 0.10 -2.06 105.19 109.09 2qae n GLY 127 Ca 0.09 -0.19 0.08 0.00 0.00 0.00 0.00 46.02 46.00 2qae n GLY 127 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2qae h LEU 128 N 0.25 0.00 -1.12 0.99 3.38 -1.63 -1.99 115.31 115.20 2qae h LEU 128 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 2qae h LEU 128 Cb 1.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.12 2qae h LEU 128 CO 0.49 0.20 0.00 -0.90 0.09 0.00 0.00 178.44 178.31 2qae n ASP 129 N -3.93 1.54 0.00 -0.43 5.68 -1.26 -4.91 116.55 113.24 2qae n ASP 129 Ca -0.02 -2.11 0.00 0.00 -0.50 0.00 0.00 54.79 52.16 2qae n ASP 129 Cb 0.28 -0.32 0.00 0.00 -1.14 0.00 0.00 41.12 39.94 2qae n ASP 129 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2qae n GLY 130 N 0.50 2.88 3.75 6.12 0.00 -0.75 -5.01 105.19 112.68 2qae n GLY 130 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 2qae n GLY 130 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qae s LYS 131 N -0.14 4.65 0.04 1.61 -2.85 -1.26 -4.69 119.74 117.09 2qae s LYS 131 Ca 0.00 1.77 0.01 0.00 -1.00 0.00 0.00 55.97 56.75 2qae s LYS 131 Cb 0.00 -3.21 -0.04 0.00 -2.06 0.00 0.00 37.83 32.52 2qae s LYS 131 CO 0.00 0.21 0.11 -0.65 0.10 0.00 0.00 175.35 175.12 2qae s GLN 132 N -1.22 3.08 0.04 1.78 -0.21 -1.26 -0.72 119.66 121.15 2qae s GLN 132 Ca 0.45 -0.55 -0.08 0.00 0.02 0.00 0.00 55.36 55.20 2qae s GLN 132 Cb -0.31 -2.85 -0.00 0.00 1.00 0.00 0.00 33.01 30.85 2qae s GLN 132 CO 0.39 0.61 0.16 -1.21 -2.12 0.00 0.00 175.29 173.12 2qae s GLU 133 N -2.17 0.68 -0.14 2.91 2.02 -0.62 -4.98 118.70 116.40 2qae s GLU 133 Ca 0.28 -0.71 0.02 0.00 0.02 0.00 0.00 54.97 54.57 2qae s GLU 133 Cb -0.12 0.28 0.00 0.00 0.10 0.00 0.00 34.13 34.38 2qae s GLU 133 CO 0.20 -0.19 -0.19 1.41 0.02 0.00 0.00 175.26 176.51 2qae s MET 134 N -2.75 3.14 -0.10 1.61 1.75 -1.26 -0.28 119.30 121.42 2qae s MET 134 Ca -0.04 -0.80 -0.04 0.00 -1.25 0.00 0.00 55.69 53.57 2qae s MET 134 Cb -0.00 -2.50 -0.04 0.00 2.84 0.00 0.00 34.83 35.13 2qae s MET 134 CO -0.05 0.07 0.05 -0.51 -0.65 0.00 0.00 175.02 173.93 2qae s LEU 135 N 0.65 3.86 -0.06 4.11 1.02 0.11 -4.63 118.68 123.73 2qae s LEU 135 Ca -0.10 0.25 0.03 0.00 0.02 0.00 0.00 54.13 54.34 2qae s LEU 135 Cb -0.16 -1.91 -0.02 0.00 0.02 0.00 0.00 46.19 44.12 2qae s LEU 135 CO 0.02 0.38 -0.16 -1.61 0.02 0.00 0.00 176.35 175.01 2qae s GLU 136 N -0.90 2.65 0.15 1.70 2.02 -1.26 -1.10 118.70 121.96 2qae s GLU 136 Ca 0.14 -0.73 -0.11 0.00 0.02 0.00 0.00 54.97 54.28 2qae s GLU 136 Cb -0.12 -2.38 0.00 0.00 0.10 0.00 0.00 34.13 31.74 2qae s GLU 136 CO 0.03 0.51 0.32 -0.08 0.02 0.00 0.00 175.26 176.06 2qae s THR 137 N -0.45 0.08 -0.04 3.63 -1.32 -0.78 -0.60 115.64 116.15 2qae s THR 137 Ca 0.05 -1.15 0.00 0.00 -1.21 0.00 0.00 61.69 59.39 2qae s THR 137 Cb -0.12 -1.61 -0.26 0.00 -1.51 0.00 0.00 72.50 69.00 2qae s THR 137 CO 0.02 -0.35 0.68 0.11 -2.21 0.00 0.00 174.62 172.87 2qae h LYS 138 N 2.51 0.18 -4.12 7.08 1.57 -1.22 -3.44 116.57 119.13 2qae h LYS 138 Ca -0.32 -0.31 -0.19 0.00 -1.87 0.00 0.00 60.65 57.96 2qae h LYS 138 Cb 1.23 0.12 -0.20 0.00 0.08 0.00 0.00 32.23 33.45 2qae h LYS 138 CO 0.48 0.97 -0.70 0.15 -0.57 0.00 0.00 179.45 179.78 2qae s LYS 139 N -2.60 0.38 -0.02 3.15 -0.14 -0.76 -4.87 119.74 114.89 2qae s LYS 139 Ca -0.11 -0.70 0.02 0.00 -1.36 0.00 0.00 55.97 53.82 2qae s LYS 139 Cb 0.07 0.04 0.00 0.00 -1.68 0.00 0.00 37.83 36.26 2qae s LYS 139 CO 0.82 -0.04 -0.08 0.99 -0.76 0.00 0.00 175.35 176.28 2qae s THR 140 N -1.68 0.71 -0.19 2.17 2.01 -0.70 -1.26 115.64 116.70 2qae s THR 140 Ca -0.13 -0.33 -0.02 0.00 0.31 0.00 0.00 61.69 61.53 2qae s THR 140 Cb -0.08 -0.64 -0.01 0.00 0.01 0.00 0.00 72.50 71.78 2qae s THR 140 CO -0.02 0.23 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.42 2qae s ILE 141 N 0.18 3.10 -0.25 1.82 1.01 0.37 -0.62 121.20 126.80 2qae s ILE 141 Ca -0.03 -0.60 -0.21 0.00 0.00 0.00 0.00 60.65 59.81 2qae s ILE 141 Cb -0.08 -2.37 -0.02 0.00 0.01 0.00 0.00 42.46 40.00 2qae s ILE 141 CO 0.00 0.47 0.67 -0.63 0.00 0.00 0.00 174.94 175.45 2qae s ILE 142 N 1.18 4.95 -0.35 2.92 1.01 0.12 -0.85 121.20 130.18 2qae s ILE 142 Ca 0.02 1.22 0.15 0.00 0.00 0.00 0.00 60.65 62.04 2qae s ILE 142 Cb -0.14 -3.98 0.41 0.00 0.01 0.00 0.00 42.46 38.76 2qae s ILE 142 CO -0.03 0.00 0.86 0.00 0.00 0.00 0.00 174.94 175.78 2qae n ALA 143 N 5.78 2.90 1.53 9.38 0.00 0.67 -1.43 120.51 139.35 2qae n ALA 143 Ca 0.01 -3.30 0.14 0.00 0.00 0.00 0.00 53.44 50.30 2qae n ALA 143 Cb 0.49 -0.92 0.66 0.00 0.00 0.00 0.00 19.45 19.67 2qae n ALA 143 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2qae n THR 144 N 0.07 0.00 -4.53 0.00 -2.24 -1.20 -4.24 114.28 102.13 2qae n THR 144 Ca 0.17 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 2qae n THR 144 Cb 0.74 -0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.92 2qae n THR 144 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qae n GLY 145 N 1.21 1.35 3.38 3.38 0.00 -1.26 -4.58 105.19 108.66 2qae n GLY 145 Ca 0.17 -0.69 -0.16 0.00 0.00 0.00 0.00 46.02 45.34 2qae n GLY 145 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qae s SER 146 N -4.00 1.08 0.12 1.61 1.04 -1.26 -0.30 113.70 111.99 2qae s SER 146 Ca 0.00 -1.56 -0.07 0.00 0.48 0.00 0.00 55.95 54.81 2qae s SER 146 Cb 0.00 0.59 -0.02 0.00 0.10 0.00 0.00 66.02 66.69 2qae s SER 146 CO 0.00 -1.15 0.18 -1.83 0.98 0.00 0.00 173.24 171.42 2qae s GLU 147 N -3.37 0.95 0.35 4.02 -1.05 0.02 -4.76 118.70 114.86 2qae s GLU 147 Ca 0.35 -1.15 -0.28 0.00 -0.15 0.00 0.00 54.97 53.74 2qae s GLU 147 Cb 0.01 0.32 -0.10 0.00 -0.44 0.00 0.00 34.13 33.93 2qae s GLU 147 CO 0.22 -0.31 1.29 -2.14 0.95 0.00 0.00 175.26 175.27 2qae s PRO 148 N -3.94 4.27 -0.01 -4.83 0.02 -1.26 -0.87 135.00 128.38 2qae s PRO 148 Ca 0.13 2.18 -0.30 0.00 0.02 0.00 0.00 61.00 63.03 2qae s PRO 148 Cb 0.05 -2.99 -0.04 0.00 0.02 0.00 0.00 34.50 31.54 2qae s PRO 148 CO -0.05 -0.25 1.14 0.99 -0.33 0.00 0.00 177.00 178.51 2qae s THR 149 N -1.18 4.33 0.18 0.99 2.01 -0.31 -4.75 115.64 116.92 2qae s THR 149 Ca 0.51 1.66 -0.08 0.00 0.31 0.00 0.00 61.69 64.09 2qae s THR 149 Cb -0.39 -4.06 -0.06 0.00 0.01 0.00 0.00 72.50 67.99 2qae s THR 149 CO 0.51 0.07 0.47 -0.70 -0.69 0.00 0.00 174.62 174.28 2qae s GLU 150 N 1.55 3.72 -0.17 4.92 2.12 -1.26 -4.68 118.70 124.89 2qae s GLU 150 Ca 0.56 0.11 -0.23 0.00 0.36 0.00 0.00 54.97 55.77 2qae s GLU 150 Cb -0.25 -2.76 -0.02 0.00 0.26 0.00 0.00 34.13 31.36 2qae s GLU 150 CO 0.25 0.40 0.71 -0.51 -0.54 0.00 0.00 175.26 175.57 2qae s LEU 151 N -2.69 4.18 0.49 2.70 1.43 -1.26 -4.96 118.68 118.57 2qae s LEU 151 Ca 0.44 0.99 0.17 0.00 -1.03 0.00 0.00 54.13 54.70 2qae s LEU 151 Cb -0.12 -3.03 1.20 0.00 0.03 0.00 0.00 46.19 44.28 2qae s LEU 151 CO 0.22 -0.30 2.06 -0.65 0.23 0.00 0.00 176.35 177.92 2qae h PRO 152 N 7.34 0.15 -0.01 1.29 0.11 -2.01 -2.13 132.00 136.73 2qae h PRO 152 Ca -0.32 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.78 2qae h PRO 152 Cb 1.15 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2qae h PRO 152 CO 0.79 0.10 -0.15 1.97 -0.21 0.00 0.00 178.00 180.50 2qae n PHE 153 N -4.47 0.00 -3.18 0.65 -1.74 -1.26 -4.42 117.46 103.04 2qae n PHE 153 Ca 0.04 0.00 -0.21 0.00 -0.56 0.00 0.00 57.45 56.71 2qae n PHE 153 Cb 0.28 -0.06 -0.06 0.00 1.52 0.00 0.00 39.48 41.16 2qae n PHE 153 CO 0.00 0.00 0.00 1.28 -0.56 0.00 0.00 176.76 177.48 2qae n LEU 154 N -0.16 -0.78 -4.73 5.98 4.77 -0.81 -4.78 117.00 116.50 2qae n LEU 154 Ca 0.15 -4.24 -0.37 0.00 -0.03 0.00 0.00 56.01 51.52 2qae n LEU 154 Cb 0.37 0.64 0.07 0.00 -2.33 0.00 0.00 43.42 42.18 2qae n LEU 154 CO 0.22 1.97 0.90 -2.84 -1.33 0.00 0.00 177.39 176.30 2qae s PRO 155 N -0.30 2.45 0.29 3.23 0.02 -1.20 -4.28 135.00 135.20 2qae s PRO 155 Ca 0.33 2.05 -0.29 0.00 0.02 0.00 0.00 61.00 63.11 2qae s PRO 155 Cb 0.11 -1.84 -0.10 0.00 0.02 0.00 0.00 34.50 32.70 2qae s PRO 155 CO -0.15 -1.67 1.27 -0.06 -0.33 0.00 0.00 177.00 176.06 2qae s PHE 156 N -1.46 3.19 0.00 6.54 0.08 -1.26 -4.81 117.98 120.26 2qae s PHE 156 Ca 0.82 1.41 0.00 0.00 0.12 0.00 0.00 56.93 59.28 2qae s PHE 156 Cb -0.37 -3.60 0.00 0.00 -0.57 0.00 0.00 43.02 38.48 2qae s PHE 156 CO 0.41 -1.66 0.29 -0.40 -0.10 0.00 0.00 175.22 173.76 2qae n ASP 157 N 1.33 0.57 -1.82 1.36 3.85 -0.43 -5.00 116.55 116.41 2qae n ASP 157 Ca 0.01 -0.82 -0.16 0.00 -0.71 0.00 0.00 54.79 53.11 2qae n ASP 157 Cb 0.42 0.25 -0.05 0.00 -1.35 0.00 0.00 41.12 40.40 2qae n ASP 157 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 2qae n GLU 158 N -0.25 -1.59 0.01 0.11 -0.58 -0.07 -4.74 120.64 113.53 2qae n GLU 158 Ca 0.00 0.88 -0.01 0.00 -0.42 0.00 0.00 57.16 57.61 2qae n GLU 158 Cb 0.03 -5.30 -0.00 0.00 -0.57 0.00 0.00 31.44 25.60 2qae n GLU 158 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2qae n LYS 159 N -2.36 0.02 0.00 3.49 5.02 -1.26 -4.88 118.16 118.19 2qae n LYS 159 Ca -0.17 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.13 2qae n LYS 159 Cb 0.57 -0.53 0.00 0.00 -0.02 0.00 0.00 35.03 35.05 2qae n LYS 159 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 2qae n VAL 160 N -3.16 0.00 -3.60 -0.18 0.24 -1.26 -4.89 118.33 105.47 2qae n VAL 160 Ca -0.01 0.00 -0.40 0.00 -2.04 0.00 0.00 64.34 61.88 2qae n VAL 160 Cb 0.39 -0.54 -0.10 0.00 -1.47 0.00 0.00 33.84 32.12 2qae n VAL 160 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 2qae s VAL 161 N -1.68 4.21 0.06 3.34 1.01 -1.26 -0.24 120.40 125.84 2qae s VAL 161 Ca 0.00 -1.44 0.03 0.00 0.00 0.00 0.00 61.98 60.57 2qae s VAL 161 Cb 0.00 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 2qae s VAL 161 CO 0.00 -0.53 0.03 -0.76 0.00 0.00 0.00 175.10 173.84 2qae s LEU 162 N 1.41 3.61 0.00 3.92 1.43 0.32 -0.89 118.68 128.49 2qae s LEU 162 Ca 0.03 -0.06 0.07 0.00 -1.03 0.00 0.00 54.13 53.14 2qae s LEU 162 Cb -0.23 -2.25 0.07 0.00 0.03 0.00 0.00 46.19 43.81 2qae s LEU 162 CO 0.02 0.20 0.60 -1.54 0.23 0.00 0.00 176.35 175.86 2qae n SER 163 N 0.76 2.00 0.18 2.29 3.41 -1.26 -1.37 113.62 119.63 2qae n SER 163 Ca -0.11 -2.40 0.14 0.00 -0.26 0.00 0.00 58.87 56.23 2qae n SER 163 Cb 0.52 -0.27 0.70 0.00 -0.26 0.00 0.00 64.21 64.90 2qae n SER 163 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2qae h SER 164 N 0.22 0.00 -0.00 4.04 4.64 -1.95 -1.37 113.55 119.13 2qae h SER 164 Ca -0.25 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.07 2qae h SER 164 Cb 1.08 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.17 2qae h SER 164 CO 0.37 0.00 -0.00 0.74 -0.87 0.00 0.00 176.83 177.07 2qae h THR 165 N 0.00 1.25 -0.63 2.95 2.02 -1.94 -1.62 112.91 114.95 2qae h THR 165 Ca 0.09 -0.75 -0.02 0.00 0.77 0.00 0.00 66.41 66.50 2qae h THR 165 Cb 0.38 1.76 -0.03 0.00 -1.74 0.00 0.00 68.15 68.52 2qae h THR 165 CO -0.00 0.19 0.29 1.23 0.37 0.00 0.00 175.52 177.60 2qae h GLY 166 N -0.31 0.95 1.98 2.16 0.00 -1.73 -2.75 103.07 103.37 2qae h GLY 166 Ca 0.00 -0.46 -0.10 0.00 0.00 0.00 0.00 47.33 46.78 2qae h GLY 166 CO 0.00 0.43 -0.46 0.00 0.00 0.00 0.00 176.54 176.52 2qae h ALA 167 N 1.43 1.23 0.00 3.60 0.00 -1.12 -2.27 119.26 122.14 2qae h ALA 167 Ca 0.22 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2qae h ALA 167 Cb 0.11 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2qae h ALA 167 CO -0.03 0.58 0.00 -0.07 0.00 0.00 0.00 179.25 179.73 2qae h LEU 168 N 0.01 0.00 -2.64 0.00 3.38 -1.00 -3.30 115.31 111.77 2qae h LEU 168 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2qae h LEU 168 Cb 0.82 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.57 2qae h LEU 168 CO 0.06 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.59 2qae n ALA 169 N -2.04 2.29 -1.66 1.53 0.00 -0.87 -5.00 120.51 114.76 2qae n ALA 169 Ca 0.02 -1.11 -0.46 0.00 0.00 0.00 0.00 53.44 51.89 2qae n ALA 169 Cb 0.39 -0.61 -0.04 0.00 0.00 0.00 0.00 19.45 19.18 2qae n ALA 169 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2qae n LEU 170 N 0.95 2.91 0.12 0.00 4.77 -1.14 -4.88 117.00 119.73 2qae n LEU 170 Ca 0.15 1.10 0.13 0.00 -0.03 0.00 0.00 56.01 57.36 2qae n LEU 170 Cb 0.49 -1.40 0.38 0.00 -2.33 0.00 0.00 43.42 40.56 2qae n LEU 170 CO 0.11 -0.43 0.88 1.55 -1.33 0.00 0.00 177.39 178.16 2qae h PRO 171 N 5.35 0.00 -3.65 3.23 0.13 -1.94 -3.46 132.00 131.65 2qae h PRO 171 Ca -0.45 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.61 2qae h PRO 171 Cb 1.27 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.27 2qae h PRO 171 CO 0.84 0.00 -0.24 -0.98 -0.23 0.00 0.00 178.00 177.39 2qae s ARG 172 N -3.12 0.97 -0.07 0.86 1.70 -1.26 -4.55 118.95 113.48 2qae s ARG 172 Ca 0.10 -0.88 -0.30 0.00 -0.47 0.00 0.00 55.73 54.18 2qae s ARG 172 Cb 0.11 0.40 -0.04 0.00 -0.57 0.00 0.00 34.95 34.85 2qae s ARG 172 CO 0.60 -0.35 1.37 0.08 -1.08 0.00 0.00 175.30 175.93 2qae s VAL 173 N -3.85 3.95 0.60 4.99 1.01 -1.26 -5.00 120.40 120.84 2qae s VAL 173 Ca 0.05 1.24 -0.17 0.00 0.00 0.00 0.00 61.98 63.11 2qae s VAL 173 Cb 0.03 -3.80 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 2qae s VAL 173 CO -0.10 -0.06 1.09 -2.16 0.00 0.00 0.00 175.10 173.87 2qae s PRO 174 N 3.04 3.17 0.11 2.72 0.04 -1.26 -4.93 135.00 137.89 2qae s PRO 174 Ca 0.61 1.37 -0.13 0.00 0.04 0.00 0.00 61.00 62.89 2qae s PRO 174 Cb -0.28 -2.00 -0.09 0.00 0.04 0.00 0.00 34.50 32.17 2qae s PRO 174 CO 0.23 -0.95 1.40 0.87 0.04 0.00 0.00 177.00 178.58 2qae h LYS 175 N 0.53 0.80 -4.21 4.56 1.57 -1.94 -3.36 116.57 114.52 2qae h LYS 175 Ca -0.48 -0.48 -0.26 0.00 -1.87 0.00 0.00 60.65 57.56 2qae h LYS 175 Cb 1.24 0.05 -0.24 0.00 0.08 0.00 0.00 32.23 33.35 2qae h LYS 175 CO 0.56 1.11 -0.73 0.95 -0.57 0.00 0.00 179.45 180.78 2qae s THR 176 N -4.18 0.31 -0.11 -0.16 -4.23 -1.26 -1.53 115.64 104.48 2qae s THR 176 Ca -0.11 -0.61 -0.09 0.00 -1.18 0.00 0.00 61.69 59.70 2qae s THR 176 Cb 0.09 -0.35 0.04 0.00 1.34 0.00 0.00 72.50 73.62 2qae s THR 176 CO 0.87 -0.20 0.29 -0.32 -0.54 0.00 0.00 174.62 174.71 2qae s MET 177 N -0.87 0.31 -0.05 3.99 1.75 -0.10 -2.48 119.30 121.86 2qae s MET 177 Ca -0.06 0.48 0.03 0.00 -1.25 0.00 0.00 55.69 54.89 2qae s MET 177 Cb -0.06 0.07 -0.03 0.00 2.84 0.00 0.00 34.83 37.65 2qae s MET 177 CO -0.00 -0.09 -0.13 0.08 -0.65 0.00 0.00 175.02 174.23 2qae s VAL 178 N 0.59 3.14 -0.16 10.11 1.01 -0.79 -1.41 120.40 132.90 2qae s VAL 178 Ca -0.04 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.25 2qae s VAL 178 Cb -0.05 -2.24 0.01 0.00 0.00 0.00 0.00 36.38 34.10 2qae s VAL 178 CO -0.03 0.58 -0.19 -0.69 0.00 0.00 0.00 175.10 174.77 2qae s VAL 179 N -0.75 2.24 -0.34 2.92 1.01 0.77 -0.68 120.40 125.57 2qae s VAL 179 Ca 0.12 -0.90 -0.14 0.00 0.00 0.00 0.00 61.98 61.06 2qae s VAL 179 Cb -0.11 -1.93 -0.02 0.00 0.00 0.00 0.00 36.38 34.33 2qae s VAL 179 CO 0.01 0.53 0.29 -0.63 0.00 0.00 0.00 175.10 175.30 2qae s ILE 180 N 0.99 5.24 0.00 2.22 1.01 0.23 -0.44 121.20 130.45 2qae s ILE 180 Ca -0.02 -0.07 0.00 0.00 0.00 0.00 0.00 60.65 60.56 2qae s ILE 180 Cb -0.15 -3.75 0.00 0.00 0.01 0.00 0.00 42.46 38.58 2qae s ILE 180 CO -0.05 -0.02 0.00 0.61 0.00 0.00 0.00 174.94 175.48 2qae n GLY 181 N 5.03 1.60 2.37 6.18 0.00 0.53 -0.93 105.19 119.98 2qae n GLY 181 Ca -0.11 -0.86 -0.27 0.00 0.00 0.00 0.00 46.02 44.78 2qae n GLY 181 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qae n GLY 182 N 0.93 4.57 1.03 -0.02 0.00 -1.26 -4.27 105.19 106.17 2qae n GLY 182 Ca 0.00 -1.79 -0.06 0.00 0.00 0.00 0.00 46.02 44.17 2qae n GLY 182 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qae n GLY 183 N 0.40 0.69 0.19 -0.02 0.00 -1.26 -0.40 105.19 104.79 2qae n GLY 183 Ca 0.46 -1.97 -0.03 0.00 0.00 0.00 0.00 46.02 44.48 2qae n GLY 183 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2qae h VAL 184 N -0.46 0.71 -0.41 1.61 2.07 -1.95 -1.65 116.25 116.17 2qae h VAL 184 Ca -0.09 -0.07 -0.05 0.00 0.82 0.00 0.00 66.70 67.31 2qae h VAL 184 Cb 0.32 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 2qae h VAL 184 CO 0.09 0.04 0.05 0.40 0.02 0.00 0.00 177.57 178.17 2qae h ILE 185 N 0.21 1.25 -0.62 4.57 2.04 -1.92 -1.67 117.51 121.35 2qae h ILE 185 Ca 0.24 -0.91 -0.02 0.00 1.00 0.00 0.00 64.86 65.17 2qae h ILE 185 Cb 0.32 1.04 -0.03 0.00 -0.74 0.00 0.00 36.82 37.42 2qae h ILE 185 CO -0.33 0.31 0.31 1.23 0.00 0.00 0.00 178.15 179.67 2qae h GLY 186 N 0.54 0.95 1.08 5.37 0.00 -1.68 -1.08 103.07 108.25 2qae h GLY 186 Ca 0.12 -0.46 -0.11 0.00 0.00 0.00 0.00 47.33 46.88 2qae h GLY 186 CO 0.01 0.44 -0.07 1.41 0.00 0.00 0.00 176.54 178.33 2qae h LEU 187 N 0.85 1.03 0.00 3.11 3.38 -1.26 0.49 115.31 122.91 2qae h LEU 187 Ca 0.21 -0.34 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 2qae h LEU 187 Cb 0.10 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.57 2qae h LEU 187 CO -0.03 1.12 -0.00 -0.33 0.09 0.00 0.00 178.44 179.29 2qae h GLU 188 N 0.92 -0.00 -0.44 1.13 5.08 -1.16 -1.32 114.58 118.79 2qae h GLU 188 Ca 0.15 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.40 2qae h GLU 188 Cb 0.63 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 2qae h GLU 188 CO 0.04 0.41 -0.18 -0.07 -1.00 0.00 0.00 179.01 178.21 2qae h LEU 189 N -0.41 0.86 -1.07 1.33 4.07 -1.19 -1.89 115.31 117.01 2qae h LEU 189 Ca -0.00 -0.30 -0.02 0.00 0.08 0.00 0.00 57.88 57.64 2qae h LEU 189 Cb 0.41 -0.23 -0.03 0.00 1.08 0.00 0.00 40.66 41.88 2qae h LEU 189 CO 0.00 1.02 0.36 1.23 -1.08 0.00 0.00 178.44 179.97 2qae h GLY 190 N 0.95 1.08 1.24 0.83 0.00 -0.04 -2.89 103.07 104.24 2qae h GLY 190 Ca 0.11 -0.51 -0.08 0.00 0.00 0.00 0.00 47.33 46.86 2qae h GLY 190 CO 0.05 0.48 0.05 1.76 0.00 0.00 0.00 176.54 178.89 2qae h SER 191 N 1.01 0.89 0.05 0.19 0.02 -0.64 -0.51 113.55 114.56 2qae h SER 191 Ca 0.25 -0.21 0.03 0.00 -0.84 0.00 0.00 61.79 61.01 2qae h SER 191 Cb 0.08 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.34 2qae h SER 191 CO -0.03 0.92 -0.27 0.58 -1.14 0.00 0.00 176.83 176.89 2qae h VAL 192 N 0.87 0.41 -0.02 2.27 2.07 -1.15 -1.57 116.25 119.12 2qae h VAL 192 Ca 0.17 0.00 -0.18 0.00 0.82 0.00 0.00 66.70 67.51 2qae h VAL 192 Cb 0.44 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 2qae h VAL 192 CO 0.02 0.00 -0.78 -0.50 0.02 0.00 0.00 177.57 176.33 2qae h TRP 193 N -0.44 0.30 -0.48 1.57 4.06 -1.47 -3.05 115.95 116.43 2qae h TRP 193 Ca 0.05 -0.14 -0.03 0.00 2.06 0.00 0.00 58.89 60.82 2qae h TRP 193 Cb 0.50 -0.04 -0.02 0.00 -1.00 0.00 0.00 29.16 28.59 2qae h TRP 193 CO -0.28 0.90 0.17 0.00 -3.56 0.00 0.00 178.44 175.67 2qae h ALA 194 N 1.05 1.39 0.00 1.49 0.00 -0.98 -1.13 119.26 121.08 2qae h ALA 194 Ca -0.03 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 2qae h ALA 194 Cb 1.36 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 2qae h ALA 194 CO 0.12 0.45 -0.25 0.00 0.00 0.00 0.00 179.25 179.57 2qae h ARG 195 N 0.69 0.00 -0.24 0.00 3.08 -1.18 -2.28 114.38 114.46 2qae h ARG 195 Ca 0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.21 2qae h ARG 195 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.23 2qae h ARG 195 CO -0.01 0.25 0.00 1.28 -1.07 0.00 0.00 179.97 180.42 2qae n LEU 196 N -4.22 1.92 0.00 3.04 4.77 -1.01 -4.79 117.00 116.71 2qae n LEU 196 Ca -0.02 -0.85 0.00 0.00 -0.03 0.00 0.00 56.01 55.11 2qae n LEU 196 Cb 0.31 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 2qae n LEU 196 CO 0.37 0.42 0.00 0.61 -1.33 0.00 0.00 177.39 177.47 2qae n GLY 197 N 1.16 1.98 3.77 -0.72 0.00 -0.86 -4.99 105.19 105.53 2qae n GLY 197 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 2qae n GLY 197 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qae s ALA 198 N -1.92 3.13 -0.41 4.61 0.00 -0.46 -4.95 121.76 121.76 2qae s ALA 198 Ca 0.00 0.96 -0.25 0.00 0.00 0.00 0.00 51.96 52.67 2qae s ALA 198 Cb 0.00 -3.38 0.02 0.00 0.00 0.00 0.00 23.12 19.76 2qae s ALA 198 CO 0.00 -0.54 0.88 -1.21 0.00 0.00 0.00 175.76 174.88 2qae s GLU 199 N -2.37 3.68 -0.12 0.00 2.02 -0.58 -4.24 118.70 117.09 2qae s GLU 199 Ca 0.58 0.31 -0.02 0.00 0.02 0.00 0.00 54.97 55.86 2qae s GLU 199 Cb -0.30 -3.86 -0.03 0.00 0.10 0.00 0.00 34.13 30.04 2qae s GLU 199 CO 0.38 -1.03 -0.04 0.08 0.02 0.00 0.00 175.26 174.67 2qae s VAL 200 N 3.45 3.93 -0.11 2.63 1.01 -1.26 -0.92 120.40 129.12 2qae s VAL 200 Ca 0.35 -0.37 0.03 0.00 0.00 0.00 0.00 61.98 62.00 2qae s VAL 200 Cb -0.12 -2.68 0.01 0.00 0.00 0.00 0.00 36.38 33.59 2qae s VAL 200 CO 0.21 0.54 -0.22 -0.89 0.00 0.00 0.00 175.10 174.75 2qae s THR 201 N -0.18 1.95 -0.22 3.92 2.01 -0.50 -1.78 115.64 120.85 2qae s THR 201 Ca 0.03 -0.94 -0.08 0.00 0.31 0.00 0.00 61.69 61.01 2qae s THR 201 Cb -0.13 -1.71 -0.04 0.00 0.01 0.00 0.00 72.50 70.63 2qae s THR 201 CO 0.02 0.53 0.10 -0.69 -0.69 0.00 0.00 174.62 173.89 2qae s VAL 202 N 0.60 4.85 -0.24 3.82 1.01 0.77 -0.16 120.40 131.05 2qae s VAL 202 Ca -0.13 -0.00 -0.05 0.00 0.00 0.00 0.00 61.98 61.80 2qae s VAL 202 Cb -0.17 -3.23 -0.01 0.00 0.00 0.00 0.00 36.38 32.97 2qae s VAL 202 CO 0.04 0.39 0.00 -0.69 0.00 0.00 0.00 175.10 174.84 2qae s VAL 203 N 0.91 3.71 -0.05 2.92 1.01 0.41 -0.18 120.40 129.14 2qae s VAL 203 Ca 0.05 -0.43 0.02 0.00 0.00 0.00 0.00 61.98 61.63 2qae s VAL 203 Cb -0.14 -2.73 0.01 0.00 0.00 0.00 0.00 36.38 33.52 2qae s VAL 203 CO 0.03 0.36 -0.10 -0.70 0.00 0.00 0.00 175.10 174.68 2qae s GLU 204 N 1.52 1.29 0.18 2.72 2.56 -0.27 -0.35 118.70 126.36 2qae s GLU 204 Ca 0.05 -0.34 -0.06 0.00 0.00 0.00 0.00 54.97 54.63 2qae s GLU 204 Cb -0.15 -1.14 0.09 0.00 2.00 0.00 0.00 34.13 34.93 2qae s GLU 204 CO -0.01 0.06 1.53 0.35 -0.56 0.00 0.00 175.26 176.63 2qae h PHE 205 N 6.73 0.89 -4.27 5.30 3.04 -1.83 -0.84 116.94 125.96 2qae h PHE 205 Ca -0.33 -0.27 -0.51 0.00 3.98 0.00 0.00 57.97 60.84 2qae h PHE 205 Cb 1.17 -0.19 0.13 0.00 2.56 0.00 0.00 35.95 39.63 2qae h PHE 205 CO 0.47 1.03 0.31 0.00 -2.02 0.00 0.00 178.31 178.10 2qae s ALA 206 N -4.30 2.17 0.54 2.41 0.00 -1.26 -3.40 121.76 117.92 2qae s ALA 206 Ca -0.09 0.17 0.24 0.00 0.00 0.00 0.00 51.96 52.28 2qae s ALA 206 Cb 0.12 -3.24 1.42 0.00 0.00 0.00 0.00 23.12 21.41 2qae s ALA 206 CO 0.85 -1.81 2.05 -1.35 0.00 0.00 0.00 175.76 175.50 2qae h PRO 207 N -1.16 0.00 -3.79 0.00 0.11 -1.94 -1.80 132.00 123.42 2qae h PRO 207 Ca -0.45 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.58 2qae h PRO 207 Cb 1.24 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.21 2qae h PRO 207 CO 0.53 0.00 -0.35 -0.98 -0.21 0.00 0.00 178.00 176.98 2qae s ARG 208 N -4.95 0.86 0.96 1.05 1.70 -1.26 -4.56 118.95 112.76 2qae s ARG 208 Ca -0.05 -0.95 -0.12 0.00 -0.47 0.00 0.00 55.73 54.14 2qae s ARG 208 Cb 0.18 0.35 0.17 0.00 -0.57 0.00 0.00 34.95 35.08 2qae s ARG 208 CO 0.68 -0.28 1.09 0.00 -1.08 0.00 0.00 175.30 175.70 2qae n ALA 210 N -4.20 -2.06 0.30 0.00 0.00 0.46 -4.73 120.51 110.29 2qae n ALA 210 Ca 0.07 -0.37 0.15 0.00 0.00 0.00 0.00 53.44 53.30 2qae n ALA 210 Cb 0.54 -1.49 0.82 0.00 0.00 0.00 0.00 19.45 19.32 2qae n ALA 210 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2qae h PRO 211 N -0.51 0.00 0.00 0.00 0.11 -1.85 -0.34 132.00 129.40 2qae h PRO 211 Ca -0.46 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 2qae h PRO 211 Cb 0.90 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.01 2qae h PRO 211 CO 0.32 0.00 -0.07 1.15 -0.21 0.00 0.00 178.00 179.19 2qae h THR 212 N 0.00 0.17 -2.78 -1.15 2.02 -1.93 -3.45 112.91 105.79 2qae h THR 212 Ca 0.00 -0.83 -0.51 0.00 0.77 0.00 0.00 66.41 65.84 2qae h THR 212 Cb 0.46 1.71 -0.01 0.00 -1.74 0.00 0.00 68.15 68.57 2qae h THR 212 CO 0.00 0.07 -0.30 -0.76 0.37 0.00 0.00 175.52 174.91 2qae s LEU 213 N -6.34 4.17 0.70 2.58 1.43 -0.14 -4.93 118.68 116.15 2qae s LEU 213 Ca 0.02 0.40 -0.16 0.00 -1.03 0.00 0.00 54.13 53.37 2qae s LEU 213 Cb 0.08 -3.20 0.02 0.00 0.03 0.00 0.00 46.19 43.13 2qae s LEU 213 CO 0.60 -0.12 1.20 -1.81 0.23 0.00 0.00 176.35 176.45 2qae s ASP 214 N -3.46 4.48 0.24 2.29 -0.00 -1.26 -4.81 116.67 114.14 2qae s ASP 214 Ca 0.39 2.33 -0.07 0.00 -0.00 0.00 0.00 52.55 55.20 2qae s ASP 214 Cb -0.10 -2.59 0.22 0.00 -0.00 0.00 0.00 42.92 40.45 2qae s ASP 214 CO 0.31 -2.07 1.88 -0.08 -0.00 0.00 0.00 175.17 175.20 2qae h GLU 215 N -0.03 1.27 -0.24 8.23 4.81 -1.95 -1.75 114.58 124.92 2qae h GLU 215 Ca -0.48 -0.13 -0.05 0.00 -0.13 0.00 0.00 59.36 58.57 2qae h GLU 215 Cb 1.29 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 30.40 2qae h GLU 215 CO 0.51 0.90 -0.08 0.38 -0.73 0.00 0.00 179.01 180.00 2qae h ASP 216 N 1.29 0.36 0.06 1.04 -0.00 -1.99 0.15 116.42 117.33 2qae h ASP 216 Ca 0.33 -0.07 -0.00 0.00 -0.00 0.00 0.00 57.03 57.29 2qae h ASP 216 Cb -0.03 -0.09 0.00 0.00 -0.00 0.00 0.00 39.33 39.21 2qae h ASP 216 CO -0.06 0.48 -0.03 0.58 -0.00 0.00 0.00 179.24 180.21 2qae h VAL 217 N 0.36 1.18 0.00 4.15 2.07 -1.78 -2.59 116.25 119.64 2qae h VAL 217 Ca 0.08 -0.87 -0.08 0.00 0.82 0.00 0.00 66.70 66.64 2qae h VAL 217 Cb 0.37 1.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 2qae h VAL 217 CO 0.02 0.22 -0.39 0.71 0.02 0.00 0.00 177.57 178.15 2qae h THR 218 N -0.48 1.21 -0.57 2.57 1.35 -1.19 -2.02 112.91 113.79 2qae h THR 218 Ca -0.01 -1.36 -0.02 0.00 -0.55 0.00 0.00 66.41 64.47 2qae h THR 218 Cb 0.42 1.75 -0.03 0.00 -1.73 0.00 0.00 68.15 68.56 2qae h THR 218 CO 0.01 0.38 0.28 -1.13 -0.25 0.00 0.00 175.52 174.82 2qae h ASN 219 N 0.00 0.73 -0.67 5.36 -1.24 -0.96 0.28 115.58 119.08 2qae h ASN 219 Ca -0.00 -0.12 -0.05 0.00 0.71 0.00 0.00 56.30 56.83 2qae h ASN 219 Cb 0.72 -0.19 -0.03 0.00 0.73 0.00 0.00 38.32 39.55 2qae h ASN 219 CO 0.05 0.65 0.22 0.00 -1.29 0.00 0.00 177.43 177.05 2qae h ALA 220 N 1.12 0.88 0.15 1.57 0.00 -1.02 -1.36 119.26 120.59 2qae h ALA 220 Ca 0.20 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2qae h ALA 220 Cb 0.10 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.63 2qae h ALA 220 CO -0.03 0.54 -0.07 1.25 0.00 0.00 0.00 179.25 180.95 2qae h LEU 221 N 0.97 -0.17 -1.64 0.00 5.85 -0.83 -2.74 115.31 116.75 2qae h LEU 221 Ca 0.22 -0.36 0.00 0.00 0.84 0.00 0.00 57.88 58.58 2qae h LEU 221 Cb 0.29 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 2qae h LEU 221 CO -0.01 0.32 0.24 0.58 -0.34 0.00 0.00 178.44 179.23 2qae h VAL 222 N -0.71 1.09 -0.83 1.05 2.07 -0.48 -0.55 116.25 117.89 2qae h VAL 222 Ca -0.02 -0.17 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 2qae h VAL 222 Cb 0.51 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 30.80 2qae h VAL 222 CO 0.03 0.09 0.40 1.23 0.02 0.00 0.00 177.57 179.34 2qae h GLY 223 N 0.49 1.29 0.97 2.17 0.00 -1.25 0.87 103.07 107.61 2qae h GLY 223 Ca 0.13 -0.64 -0.13 0.00 0.00 0.00 0.00 47.33 46.69 2qae h GLY 223 CO -0.03 0.61 -0.35 0.00 0.00 0.00 0.00 176.54 176.77 2qae h ALA 224 N 1.21 0.38 -0.71 3.60 0.00 -1.01 -2.05 119.26 120.68 2qae h ALA 224 Ca 0.29 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2qae h ALA 224 Cb 0.12 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 2qae h ALA 224 CO -0.04 0.45 0.39 -0.07 0.00 0.00 0.00 179.25 179.98 2qae h LEU 225 N 0.40 0.88 -0.85 0.00 3.38 -0.78 0.21 115.31 118.54 2qae h LEU 225 Ca 0.03 -0.07 -0.12 0.00 0.09 0.00 0.00 57.88 57.81 2qae h LEU 225 Cb 0.94 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 2qae h LEU 225 CO 0.08 0.70 -0.46 0.00 0.09 0.00 0.00 178.44 178.86 2qae h ALA 226 N 1.44 1.03 0.13 1.53 0.00 -0.77 -1.53 119.26 121.09 2qae h ALA 226 Ca 0.25 -0.44 -0.25 0.00 0.00 0.00 0.00 54.91 54.46 2qae h ALA 226 Cb 0.02 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.73 2qae h ALA 226 CO -0.04 0.63 -1.24 -0.22 0.00 0.00 0.00 179.25 178.38 2qae h LYS 227 N 0.21 0.28 0.00 0.00 3.64 -0.65 -3.19 116.57 116.86 2qae h LYS 227 Ca 0.01 -0.48 -0.18 0.00 -1.27 0.00 0.00 60.65 58.73 2qae h LYS 227 Cb 0.89 0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 32.86 2qae h LYS 227 CO 0.07 1.23 -1.10 -0.91 -2.27 0.00 0.00 179.45 176.47 2qae h ASN 228 N -0.29 0.00 1.11 4.20 2.35 -0.70 -3.38 115.58 118.86 2qae h ASN 228 Ca -0.25 -0.39 0.00 0.00 -0.55 0.00 0.00 56.30 55.11 2qae h ASN 228 Cb 1.75 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.12 2qae h ASN 228 CO 0.10 1.33 -0.25 -0.62 -1.65 0.00 0.00 177.43 176.34 2qae n GLU 229 N -4.47 0.21 -2.82 0.81 4.71 -0.81 -4.93 120.64 113.34 2qae n GLU 229 Ca -0.27 0.12 -0.18 0.00 -0.01 0.00 0.00 57.16 56.83 2qae n GLU 229 Cb 0.59 -1.69 0.03 0.00 -1.01 0.00 0.00 31.44 29.36 2qae n GLU 229 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 2qae n LYS 230 N -2.02 -3.70 -2.71 3.49 4.76 -0.64 -4.73 118.16 112.60 2qae n LYS 230 Ca 0.05 0.73 -0.35 0.00 -2.87 0.00 0.00 58.31 55.87 2qae n LYS 230 Cb 0.41 -5.19 -0.06 0.00 -1.84 0.00 0.00 35.03 28.35 2qae n LYS 230 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 2qae s MET 231 N -5.41 4.20 -0.08 1.97 -1.94 -1.00 -4.69 119.30 112.36 2qae s MET 231 Ca 0.22 1.28 -0.01 0.00 -1.71 0.00 0.00 55.69 55.47 2qae s MET 231 Cb -0.10 -2.35 -0.03 0.00 2.01 0.00 0.00 34.83 34.36 2qae s MET 231 CO 0.28 -0.07 -0.02 0.21 -0.01 0.00 0.00 175.02 175.41 2qae s LYS 232 N -2.84 2.91 -0.04 2.03 2.20 -0.73 -4.38 119.74 118.89 2qae s LYS 232 Ca 0.60 -0.45 0.07 0.00 -0.36 0.00 0.00 55.97 55.83 2qae s LYS 232 Cb -0.15 -2.74 -0.01 0.00 -1.51 0.00 0.00 37.83 33.42 2qae s LYS 232 CO 0.19 0.69 -0.24 -0.06 -0.36 0.00 0.00 175.35 175.58 2qae s PHE 233 N -0.87 2.23 -0.36 4.03 0.40 -1.26 -0.16 117.98 121.98 2qae s PHE 233 Ca 0.13 -0.55 0.01 0.00 -0.60 0.00 0.00 56.93 55.92 2qae s PHE 233 Cb -0.11 -1.45 0.11 0.00 0.51 0.00 0.00 43.02 42.07 2qae s PHE 233 CO 0.02 -0.13 0.13 -1.64 0.70 0.00 0.00 175.22 174.30 2qae s MET 234 N -0.33 1.11 0.54 0.44 -1.94 0.75 -4.93 119.30 114.94 2qae s MET 234 Ca 0.02 -1.58 0.03 0.00 -1.71 0.00 0.00 55.69 52.46 2qae s MET 234 Cb -0.11 -2.45 0.04 0.00 2.01 0.00 0.00 34.83 34.31 2qae s MET 234 CO 0.01 -1.02 0.75 0.95 -0.01 0.00 0.00 175.02 175.70 2qae s THR 235 N 1.03 2.65 -1.39 2.05 -4.23 -1.26 -1.11 115.64 113.38 2qae s THR 235 Ca 0.12 -0.77 -0.11 0.00 -1.18 0.00 0.00 61.69 59.75 2qae s THR 235 Cb -0.20 -2.88 0.09 0.00 1.34 0.00 0.00 72.50 70.85 2qae s THR 235 CO -0.13 0.00 0.61 -1.20 -0.54 0.00 0.00 174.62 173.35 2qae n SER 236 N -2.26 -3.85 -4.21 3.99 7.64 -0.38 -4.88 113.62 109.68 2qae n SER 236 Ca 0.09 -0.54 -0.31 0.00 1.01 0.00 0.00 58.87 59.13 2qae n SER 236 Cb 0.60 -3.16 -0.17 0.00 -1.01 0.00 0.00 64.21 60.47 2qae n SER 236 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2qae s THR 237 N -3.04 1.90 -0.06 0.44 2.01 -0.81 -4.44 115.64 111.64 2qae s THR 237 Ca 0.49 -0.95 -0.02 0.00 0.31 0.00 0.00 61.69 61.52 2qae s THR 237 Cb -0.26 -1.64 -0.04 0.00 0.01 0.00 0.00 72.50 70.57 2qae s THR 237 CO 0.60 0.53 0.06 -0.75 -0.69 0.00 0.00 174.62 174.37 2qae s LYS 238 N 0.20 3.09 -0.24 4.92 2.47 -0.43 -3.12 119.74 126.63 2qae s LYS 238 Ca -0.13 -0.39 -0.15 0.00 -1.56 0.00 0.00 55.97 53.74 2qae s LYS 238 Cb -0.16 -2.89 -0.04 0.00 -1.46 0.00 0.00 37.83 33.28 2qae s LYS 238 CO 0.06 0.70 0.39 0.08 0.16 0.00 0.00 175.35 176.74 2qae s VAL 239 N -1.03 5.18 -0.32 4.02 1.01 -1.26 -0.80 120.40 127.19 2qae s VAL 239 Ca 0.17 0.64 0.11 0.00 0.00 0.00 0.00 61.98 62.90 2qae s VAL 239 Cb -0.12 -3.72 -0.14 0.00 0.00 0.00 0.00 36.38 32.40 2qae s VAL 239 CO 0.07 0.19 0.38 1.33 0.00 0.00 0.00 175.10 177.07 2qae n VAL 240 N 4.84 0.00 -3.82 2.92 0.24 0.13 -5.00 118.33 117.63 2qae n VAL 240 Ca -0.08 -0.25 0.01 0.00 -2.04 0.00 0.00 64.34 61.98 2qae n VAL 240 Cb 0.51 0.70 0.01 0.00 -1.47 0.00 0.00 33.84 33.59 2qae n VAL 240 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2qae s GLY 241 N -2.53 -0.21 -0.07 7.63 0.00 -1.14 -5.00 107.32 106.00 2qae s GLY 241 Ca 0.01 0.25 -0.32 0.00 0.00 0.00 0.00 44.72 44.66 2qae s GLY 241 CO 0.46 2.87 1.28 -0.32 0.00 0.00 0.00 173.10 177.39 2qae s GLY 242 N -3.40 -0.39 -0.03 0.20 0.00 -1.26 -0.97 107.32 101.47 2qae s GLY 242 Ca 0.22 0.96 -0.02 0.00 0.00 0.00 0.00 44.72 45.88 2qae s GLY 242 CO -0.01 0.24 0.07 -1.59 0.00 0.00 0.00 173.10 171.81 2qae s THR 243 N -2.39 -0.03 -0.36 0.90 2.01 0.42 -4.92 115.64 111.26 2qae s THR 243 Ca 0.13 0.12 -0.18 0.00 0.31 0.00 0.00 61.69 62.08 2qae s THR 243 Cb 0.03 -0.13 -0.00 0.00 0.01 0.00 0.00 72.50 72.42 2qae s THR 243 CO -0.04 0.05 0.49 0.21 -0.69 0.00 0.00 174.62 174.64 2qae s ASN 244 N 0.69 6.29 -0.01 3.53 3.84 -1.26 -1.36 114.94 126.66 2qae s ASN 244 Ca -0.06 -0.14 0.15 0.00 0.21 0.00 0.00 52.86 53.03 2qae s ASN 244 Cb -0.08 -2.26 0.46 0.00 -0.55 0.00 0.00 41.25 38.82 2qae s ASN 244 CO -0.03 -0.49 1.38 0.59 -2.79 0.00 0.00 177.10 175.76 2qae n ASN 245 N 5.72 2.82 0.00 -4.21 3.02 -0.04 -4.96 115.26 117.61 2qae n ASN 245 Ca -0.05 -2.04 0.00 0.00 -0.03 0.00 0.00 54.58 52.46 2qae n ASN 245 Cb 0.49 -0.36 0.00 0.00 -0.61 0.00 0.00 39.78 39.30 2qae n ASN 245 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qae n GLY 246 N 1.27 2.36 0.12 7.41 0.00 -1.26 -4.45 105.19 110.65 2qae n GLY 246 Ca 0.17 -0.46 0.01 0.00 0.00 0.00 0.00 46.02 45.74 2qae n GLY 246 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2qae n ASP 247 N 2.65 1.63 -3.73 1.61 3.85 -1.26 -4.80 116.55 116.50 2qae n ASP 247 Ca 0.00 -1.47 -0.07 0.00 -0.71 0.00 0.00 54.79 52.54 2qae n ASP 247 Cb 0.00 -0.02 -0.01 0.00 -1.35 0.00 0.00 41.12 39.73 2qae n ASP 247 CO 0.00 0.00 0.00 -0.94 -1.01 0.00 0.00 177.20 175.25 2qae s SER 248 N -0.54 -0.21 0.02 -1.12 1.04 -1.26 -4.79 113.70 106.84 2qae s SER 248 Ca 0.04 -0.65 0.05 0.00 0.48 0.00 0.00 55.95 55.87 2qae s SER 248 Cb 0.02 0.71 -0.02 0.00 0.10 0.00 0.00 66.02 66.84 2qae s SER 248 CO 0.03 -1.33 -0.14 -0.69 0.98 0.00 0.00 173.24 172.10 2qae s VAL 249 N -3.62 1.14 -0.19 5.02 1.01 0.29 -0.86 120.40 123.20 2qae s VAL 249 Ca 0.12 -0.86 -0.01 0.00 0.00 0.00 0.00 61.98 61.23 2qae s VAL 249 Cb -0.05 -1.00 -0.00 0.00 0.00 0.00 0.00 36.38 35.33 2qae s VAL 249 CO 0.07 0.13 -0.11 -0.44 0.00 0.00 0.00 175.10 174.75 2qae s SER 250 N -0.83 3.85 -0.06 3.32 0.01 -0.46 -1.19 113.70 118.34 2qae s SER 250 Ca 0.03 -0.46 0.03 0.00 1.31 0.00 0.00 55.95 56.86 2qae s SER 250 Cb -0.07 -1.63 -0.02 0.00 0.21 0.00 0.00 66.02 64.51 2qae s SER 250 CO 0.01 0.03 -0.15 -0.76 0.41 0.00 0.00 173.24 172.77 2qae s LEU 251 N 1.18 2.66 -0.19 2.44 1.43 0.47 -0.44 118.68 126.22 2qae s LEU 251 Ca 0.02 -0.25 -0.05 0.00 -1.03 0.00 0.00 54.13 52.82 2qae s LEU 251 Cb -0.14 -1.54 -0.02 0.00 0.03 0.00 0.00 46.19 44.51 2qae s LEU 251 CO -0.04 0.31 -0.01 -1.61 0.23 0.00 0.00 176.35 175.22 2qae s GLU 252 N -0.50 3.60 0.31 1.70 2.02 -0.14 0.29 118.70 125.96 2qae s GLU 252 Ca 0.07 -0.53 0.05 0.00 0.02 0.00 0.00 54.97 54.58 2qae s GLU 252 Cb -0.12 -3.04 -0.06 0.00 0.10 0.00 0.00 34.13 31.01 2qae s GLU 252 CO 0.01 0.03 -0.00 0.14 0.02 0.00 0.00 175.26 175.46 2qae s VAL 253 N 0.94 1.47 -0.18 2.63 -7.23 0.11 -0.70 120.40 117.45 2qae s VAL 253 Ca 0.01 -2.06 -0.13 0.00 -1.81 0.00 0.00 61.98 57.99 2qae s VAL 253 Cb -0.14 -2.64 0.05 0.00 0.56 0.00 0.00 36.38 34.21 2qae s VAL 253 CO 0.02 -0.15 0.47 -1.83 -0.31 0.00 0.00 175.10 173.29 2qae s GLU 254 N -3.80 0.50 -0.01 4.82 -1.05 0.02 -1.07 118.70 118.10 2qae s GLU 254 Ca 0.33 0.76 0.13 0.00 -0.15 0.00 0.00 54.97 56.03 2qae s GLU 254 Cb 0.06 0.14 -0.19 0.00 -0.44 0.00 0.00 34.13 33.71 2qae s GLU 254 CO 0.14 -0.11 0.35 0.41 0.95 0.00 0.00 175.26 177.00 2qae n GLY 255 N 3.52 -0.50 1.92 -3.83 0.00 -1.26 -1.31 105.19 103.72 2qae n GLY 255 Ca -0.18 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.52 2qae n GLY 255 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2qae n LYS 259 N -1.80 -5.14 -2.17 1.61 4.81 -1.26 -4.94 118.16 109.27 2qae n LYS 259 Ca -0.01 3.68 -0.27 0.00 -0.87 0.00 0.00 58.31 60.84 2qae n LYS 259 Cb 0.31 -3.93 0.12 0.00 0.02 0.00 0.00 35.03 31.54 2qae n LYS 259 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 2qae s ARG 260 N -1.03 1.56 -0.27 1.64 0.52 -1.26 -5.01 118.95 115.10 2qae s ARG 260 Ca 0.00 -0.45 -0.29 0.00 -0.52 0.00 0.00 55.73 54.47 2qae s ARG 260 Cb 0.00 -2.08 0.18 0.00 0.52 0.00 0.00 34.95 33.57 2qae s ARG 260 CO 0.00 -1.69 1.32 -2.00 0.02 0.00 0.00 175.30 172.94 2qae s GLU 261 N -5.46 0.14 -0.13 3.54 2.12 -0.24 -4.93 118.70 113.75 2qae s GLU 261 Ca 0.66 0.05 0.02 0.00 0.36 0.00 0.00 54.97 56.05 2qae s GLU 261 Cb -0.07 0.06 -0.01 0.00 0.26 0.00 0.00 34.13 34.38 2qae s GLU 261 CO 0.48 -0.04 -0.18 0.99 -0.54 0.00 0.00 175.26 175.97 2qae s THR 262 N -0.89 2.55 -0.06 -1.70 2.01 -1.26 0.09 115.64 116.39 2qae s THR 262 Ca 0.07 -0.83 0.03 0.00 0.31 0.00 0.00 61.69 61.27 2qae s THR 262 Cb -0.01 -2.04 -0.03 0.00 0.01 0.00 0.00 72.50 70.43 2qae s THR 262 CO -0.08 0.54 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.58 2qae s VAL 263 N 0.48 3.28 -0.10 3.82 1.01 0.14 -4.94 120.40 124.08 2qae s VAL 263 Ca -0.12 -0.64 0.02 0.00 0.00 0.00 0.00 61.98 61.23 2qae s VAL 263 Cb -0.17 -2.30 -0.01 0.00 0.00 0.00 0.00 36.38 33.90 2qae s VAL 263 CO 0.05 0.59 -0.17 -0.89 0.00 0.00 0.00 175.10 174.69 2qae s THR 264 N -0.76 2.73 0.05 3.92 2.01 -1.26 -0.40 115.64 121.94 2qae s THR 264 Ca 0.12 -0.79 -0.08 0.00 0.31 0.00 0.00 61.69 61.25 2qae s THR 264 Cb -0.11 -2.10 -0.00 0.00 0.01 0.00 0.00 72.50 70.30 2qae s THR 264 CO 0.01 0.55 0.16 0.00 -0.69 0.00 0.00 174.62 174.65 2qae h GLU 266 N 3.35 0.00 -3.41 0.00 4.81 -1.79 0.85 114.58 118.38 2qae h GLU 266 Ca -0.33 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 58.68 2qae h GLU 266 Cb 1.19 0.00 -0.29 0.00 0.63 0.00 0.00 28.75 30.28 2qae h GLU 266 CO 0.51 0.81 -0.61 0.00 -0.73 0.00 0.00 179.01 178.99 2qae s ALA 267 N -2.97 -0.22 -0.15 2.92 0.00 -1.07 -4.55 121.76 115.73 2qae s ALA 267 Ca 0.01 0.43 0.01 0.00 0.00 0.00 0.00 51.96 52.41 2qae s ALA 267 Cb 0.10 -0.28 0.00 0.00 0.00 0.00 0.00 23.12 22.95 2qae s ALA 267 CO 0.79 -0.09 -0.17 -1.17 0.00 0.00 0.00 175.76 175.11 2qae s LEU 268 N 0.56 2.37 -0.25 0.00 2.96 0.67 -1.88 118.68 123.11 2qae s LEU 268 Ca -0.04 -0.50 -0.08 0.00 -0.22 0.00 0.00 54.13 53.29 2qae s LEU 268 Cb -0.06 -1.53 -0.03 0.00 0.50 0.00 0.00 46.19 45.07 2qae s LEU 268 CO -0.02 0.09 0.10 -0.22 -1.32 0.00 0.00 176.35 174.98 2qae s LEU 269 N 0.75 3.58 -0.40 -0.68 0.20 0.14 -0.52 118.68 121.76 2qae s LEU 269 Ca -0.07 -0.15 -0.14 0.00 0.69 0.00 0.00 54.13 54.46 2qae s LEU 269 Cb -0.16 -1.97 0.02 0.00 -0.43 0.00 0.00 46.19 43.66 2qae s LEU 269 CO 0.01 -0.03 0.27 -0.69 -0.29 0.00 0.00 176.35 175.61 2qae s VAL 270 N 1.61 5.00 -0.45 1.68 1.01 -0.47 -0.60 120.40 128.19 2qae s VAL 270 Ca 0.06 -0.75 0.09 0.00 0.00 0.00 0.00 61.98 61.39 2qae s VAL 270 Cb -0.15 -3.80 0.34 0.00 0.00 0.00 0.00 36.38 32.77 2qae s VAL 270 CO 0.05 -0.29 0.80 -1.54 0.00 0.00 0.00 175.10 174.12 2qae n SER 271 N 5.10 2.09 0.16 3.32 3.41 -0.11 -4.51 113.62 123.09 2qae n SER 271 Ca -0.11 -3.24 0.08 0.00 -0.26 0.00 0.00 58.87 55.34 2qae n SER 271 Cb 0.47 -0.60 0.08 0.00 -0.26 0.00 0.00 64.21 63.90 2qae n SER 271 CO 0.00 0.00 0.00 -0.37 -0.16 0.00 0.00 175.04 174.51 2qae h VAL 272 N 1.73 0.31 0.00 -3.33 -1.51 -1.83 -3.40 116.25 108.23 2qae h VAL 272 Ca 0.11 -1.46 0.00 0.00 -1.23 0.00 0.00 66.70 64.12 2qae h VAL 272 Cb 0.80 2.07 0.00 0.00 -2.13 0.00 0.00 31.29 32.03 2qae h VAL 272 CO 0.61 0.18 0.00 0.61 -1.23 0.00 0.00 177.57 177.74 2qae n GLY 273 N 1.17 -2.25 3.14 5.19 0.00 -1.26 -5.01 105.19 106.17 2qae n GLY 273 Ca 0.02 -1.21 -0.18 0.00 0.00 0.00 0.00 46.02 44.65 2qae n GLY 273 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qae s ARG 274 N -1.93 0.77 0.13 1.61 0.52 -1.26 -1.16 118.95 117.63 2qae s ARG 274 Ca 0.00 -0.88 0.11 0.00 -0.52 0.00 0.00 55.73 54.43 2qae s ARG 274 Cb 0.00 -0.74 -0.04 0.00 0.52 0.00 0.00 34.95 34.69 2qae s ARG 274 CO 0.00 0.16 -0.26 -0.98 0.02 0.00 0.00 175.30 174.24 2qae s ARG 275 N -1.62 1.44 0.41 3.54 1.70 -0.05 -4.83 118.95 119.54 2qae s ARG 275 Ca -0.03 -1.34 -0.26 0.00 -0.47 0.00 0.00 55.73 53.63 2qae s ARG 275 Cb -0.10 -1.92 -0.09 0.00 -0.57 0.00 0.00 34.95 32.28 2qae s ARG 275 CO 0.02 0.45 1.36 -1.25 -1.08 0.00 0.00 175.30 174.80 2qae s PRO 276 N -2.09 3.93 -0.19 3.89 0.04 -1.26 -0.80 135.00 138.52 2qae s PRO 276 Ca 0.15 2.28 -0.01 0.00 0.04 0.00 0.00 61.00 63.45 2qae s PRO 276 Cb -0.10 -2.77 -0.00 0.00 0.04 0.00 0.00 34.50 31.67 2qae s PRO 276 CO 0.07 -0.57 -0.12 0.12 0.04 0.00 0.00 177.00 176.54 2qae s PHE 277 N -1.22 2.86 -0.03 0.56 5.36 0.59 -4.79 117.98 121.32 2qae s PHE 277 Ca 0.57 -1.10 0.06 0.00 -0.96 0.00 0.00 56.93 55.50 2qae s PHE 277 Cb -0.41 -1.98 0.09 0.00 -0.34 0.00 0.00 43.02 40.39 2qae s PHE 277 CO 0.53 -0.55 1.04 0.25 -1.46 0.00 0.00 175.22 175.03 2qae n THR 278 N 4.44 0.36 -1.79 0.12 -2.24 -1.26 -4.31 114.28 109.59 2qae n THR 278 Ca -0.19 -0.53 -0.42 0.00 -2.27 0.00 0.00 64.05 60.65 2qae n THR 278 Cb 0.51 0.41 -0.02 0.00 -2.10 0.00 0.00 70.33 69.12 2qae n THR 278 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2qae s GLY 279 N -1.44 1.69 0.00 3.38 0.00 -1.26 -2.13 107.32 107.55 2qae s GLY 279 Ca 0.09 1.54 0.00 0.00 0.00 0.00 0.00 44.72 46.35 2qae s GLY 279 CO -0.01 2.68 0.00 0.61 0.00 0.00 0.00 173.10 176.38 2qae n GLY 280 N 3.11 0.63 0.22 0.20 0.00 -1.26 -4.88 105.19 103.20 2qae n GLY 280 Ca 0.12 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.24 2qae n GLY 280 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2qae h LEU 281 N 0.00 0.00 0.15 0.99 5.85 -1.66 -3.42 115.31 117.22 2qae h LEU 281 Ca 0.00 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 2qae h LEU 281 Cb 0.04 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 2qae h LEU 281 CO 0.00 0.19 -0.03 0.61 -0.34 0.00 0.00 178.44 178.87 2qae n GLY 282 N 0.53 0.40 0.26 3.75 0.00 -1.26 -0.83 105.19 108.04 2qae n GLY 282 Ca 0.01 -0.92 0.08 0.00 0.00 0.00 0.00 46.02 45.19 2qae n GLY 282 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2qae h LEU 283 N 0.00 0.02 -0.47 0.99 3.38 -1.92 -1.62 115.31 115.69 2qae h LEU 283 Ca -0.03 -0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.76 2qae h LEU 283 Cb 0.57 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 2qae h LEU 283 CO 0.05 0.01 -0.66 0.44 0.09 0.00 0.00 178.44 178.36 2qae h ASP 284 N 0.02 0.48 -0.62 -0.43 5.19 -1.92 -0.34 116.42 118.81 2qae h ASP 284 Ca 0.01 -0.29 0.04 0.00 -0.62 0.00 0.00 57.03 56.16 2qae h ASP 284 Cb -0.00 -0.14 -0.03 0.00 0.18 0.00 0.00 39.33 39.33 2qae h ASP 284 CO -0.00 1.01 0.41 0.50 -3.12 0.00 0.00 179.24 178.04 2qae h LYS 285 N 0.29 0.70 -0.22 3.56 3.64 -1.67 -2.87 116.57 120.00 2qae h LYS 285 Ca -0.02 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2qae h LYS 285 Cb 1.22 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 2qae h LYS 285 CO 0.11 0.46 0.00 0.44 -2.27 0.00 0.00 179.45 178.19 2qae n ILE 286 N -4.46 0.54 -3.46 2.00 -5.35 -1.10 -5.01 119.36 102.52 2qae n ILE 286 Ca 0.08 -0.77 -0.21 0.00 -0.27 0.00 0.00 62.75 61.58 2qae n ILE 286 Cb 0.14 0.85 0.07 0.00 -1.74 0.00 0.00 39.64 38.96 2qae n ILE 286 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 2qae n ASN 287 N 0.67 -5.62 -4.68 7.28 4.05 -0.20 -4.95 115.26 111.81 2qae n ASN 287 Ca 0.10 -0.49 -0.42 0.00 0.45 0.00 0.00 54.58 54.22 2qae n ASN 287 Cb 0.39 -4.55 -0.03 0.00 1.23 0.00 0.00 39.78 36.82 2qae n ASN 287 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 2qae s VAL 288 N -3.29 4.35 0.21 3.44 1.01 -0.81 -4.76 120.40 120.55 2qae s VAL 288 Ca 0.48 1.66 -0.30 0.00 0.00 0.00 0.00 61.98 63.83 2qae s VAL 288 Cb -0.21 -4.07 -0.08 0.00 0.00 0.00 0.00 36.38 32.01 2qae s VAL 288 CO 0.65 -0.02 1.13 0.00 0.00 0.00 0.00 175.10 176.86 2qae s ALA 289 N 2.31 3.40 0.14 5.51 0.00 -1.26 -4.80 121.76 127.06 2qae s ALA 289 Ca 0.54 0.88 0.09 0.00 0.00 0.00 0.00 51.96 53.47 2qae s ALA 289 Cb -0.23 -3.36 -0.04 0.00 0.00 0.00 0.00 23.12 19.49 2qae s ALA 289 CO 0.20 -0.25 -0.20 0.15 0.00 0.00 0.00 175.76 175.67 2qae s LYS 290 N -0.65 1.23 0.82 0.00 1.02 -1.26 -1.89 119.74 119.01 2qae s LYS 290 Ca 0.49 -1.31 -0.09 0.00 0.02 0.00 0.00 55.97 55.08 2qae s LYS 290 Cb -0.31 -1.38 0.18 0.00 -0.52 0.00 0.00 37.83 35.79 2qae s LYS 290 CO 0.37 0.30 1.12 0.27 -0.92 0.00 0.00 175.35 176.49 2qae n ASN 291 N 0.61 0.61 0.32 2.83 2.04 0.19 -4.89 115.26 116.98 2qae n ASN 291 Ca -0.16 -1.73 0.20 0.00 -0.44 0.00 0.00 54.58 52.46 2qae n ASN 291 Cb 0.56 -0.81 1.11 0.00 -2.53 0.00 0.00 39.78 38.10 2qae n ASN 291 CO 0.00 0.00 0.00 -0.33 -0.44 0.00 0.00 177.26 176.49 2qae h GLU 292 N 0.00 0.00 -0.01 -3.83 5.08 -2.02 -0.46 114.58 113.34 2qae h GLU 292 Ca -0.37 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 2qae h GLU 292 Cb 1.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.39 2qae h GLU 292 CO 0.31 0.01 -0.20 0.54 -1.00 0.00 0.00 179.01 178.66 2qae n ARG 293 N -3.29 0.96 -0.29 2.33 5.12 -1.26 -4.93 116.66 115.30 2qae n ARG 293 Ca -0.03 -0.54 0.00 0.00 -1.93 0.00 0.00 57.85 55.35 2qae n ARG 293 Cb 0.09 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 29.90 2qae n ARG 293 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2qae n GLY 294 N 1.31 0.70 3.78 -0.13 0.00 -0.18 -4.66 105.19 106.00 2qae n GLY 294 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 2qae n GLY 294 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qae s PHE 295 N -2.44 3.43 0.03 1.61 0.08 -1.26 -4.76 117.98 114.67 2qae s PHE 295 Ca 0.00 1.69 -0.30 0.00 0.12 0.00 0.00 56.93 58.44 2qae s PHE 295 Cb 0.00 -3.07 -0.04 0.00 -0.57 0.00 0.00 43.02 39.34 2qae s PHE 295 CO 0.00 -0.34 1.13 0.08 -0.10 0.00 0.00 175.22 175.99 2qae s VAL 296 N -1.62 4.33 0.01 -0.44 1.01 0.01 -0.64 120.40 123.05 2qae s VAL 296 Ca 0.54 1.67 -0.30 0.00 0.00 0.00 0.00 61.98 63.89 2qae s VAL 296 Cb -0.21 -4.07 -0.03 0.00 0.00 0.00 0.00 36.38 32.07 2qae s VAL 296 CO 0.27 0.11 0.96 -0.54 0.00 0.00 0.00 175.10 175.91 2qae s LYS 297 N 1.20 4.56 0.21 2.72 1.02 -0.79 -2.05 119.74 126.61 2qae s LYS 297 Ca 0.56 1.40 0.04 0.00 0.02 0.00 0.00 55.97 57.99 2qae s LYS 297 Cb -0.26 -3.45 -0.05 0.00 -0.52 0.00 0.00 37.83 33.55 2qae s LYS 297 CO 0.28 -0.02 -0.04 0.96 -0.92 0.00 0.00 175.35 175.60 2qae s ILE 298 N 0.92 1.13 0.00 2.17 -4.36 -1.26 -4.19 121.20 115.61 2qae s ILE 298 Ca 0.51 -2.05 0.00 0.00 -0.26 0.00 0.00 60.65 58.84 2qae s ILE 298 Cb -0.21 -2.19 0.00 0.00 1.25 0.00 0.00 42.46 41.31 2qae s ILE 298 CO 0.28 -0.46 0.00 0.61 0.24 0.00 0.00 174.94 175.61 2qae n GLY 299 N -0.36 2.17 0.24 6.27 0.00 -0.42 -4.93 105.19 108.17 2qae n GLY 299 Ca -0.07 -2.12 0.17 0.00 0.00 0.00 0.00 46.02 44.00 2qae n GLY 299 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2qae h ASP 300 N 0.00 0.00 -0.27 1.61 5.19 -2.02 -1.90 116.42 119.03 2qae h ASP 300 Ca 0.00 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.36 2qae h ASP 300 Cb 0.00 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.48 2qae h ASP 300 CO 0.00 0.00 -0.01 1.41 -3.12 0.00 0.00 179.24 177.52 2qae n HIS 301 N -2.70 0.94 -0.96 4.55 8.25 -1.26 -4.94 115.22 119.10 2qae n HIS 301 Ca -0.01 -1.06 0.00 0.00 -0.26 0.00 0.00 57.72 56.39 2qae n HIS 301 Cb 0.13 -0.35 0.00 0.00 1.12 0.00 0.00 29.99 30.89 2qae n HIS 301 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 2qae n PHE 302 N -0.72 0.00 -2.58 4.41 3.01 -0.71 -4.95 117.46 115.91 2qae n PHE 302 Ca 0.24 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 58.30 2qae n PHE 302 Cb 0.92 -0.84 -0.05 0.00 -0.01 0.00 0.00 39.48 39.50 2qae n PHE 302 CO 0.00 0.00 0.00 -1.83 1.01 0.00 0.00 176.76 175.94 2qae s GLU 303 N -0.80 4.71 0.18 -1.08 1.03 -1.26 -1.33 118.70 120.15 2qae s GLU 303 Ca 0.00 1.67 -0.02 0.00 0.03 0.00 0.00 54.97 56.65 2qae s GLU 303 Cb 0.00 -3.24 0.04 0.00 -0.80 0.00 0.00 34.13 30.13 2qae s GLU 303 CO 0.00 0.30 0.24 0.25 -1.33 0.00 0.00 175.26 174.72 2qae n THR 304 N 1.54 0.00 0.51 1.83 -2.24 -0.27 -1.30 114.28 114.36 2qae n THR 304 Ca -0.01 -0.27 0.11 0.00 -2.27 0.00 0.00 64.05 61.61 2qae n THR 304 Cb 0.46 -1.57 0.44 0.00 -2.10 0.00 0.00 70.33 67.56 2qae n THR 304 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2qae n SER 305 N -3.07 0.43 -4.50 3.42 3.41 -1.26 -4.63 113.62 107.41 2qae n SER 305 Ca 0.03 0.59 -0.36 0.00 -0.26 0.00 0.00 58.87 58.87 2qae n SER 305 Cb 0.12 -0.69 -0.12 0.00 -0.26 0.00 0.00 64.21 63.27 2qae n SER 305 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2qae s ILE 306 N -3.16 4.44 0.25 -1.33 -1.09 -1.26 -4.97 121.20 114.07 2qae s ILE 306 Ca 0.07 -0.14 -0.30 0.00 -2.23 0.00 0.00 60.65 58.05 2qae s ILE 306 Cb 0.11 -3.05 -0.14 0.00 -1.58 0.00 0.00 42.46 37.79 2qae s ILE 306 CO 0.39 0.37 1.10 -2.65 -1.23 0.00 0.00 174.94 172.93 2qae n PRO 307 N 4.54 1.38 -0.94 2.79 -0.02 -1.26 -1.77 135.00 139.71 2qae n PRO 307 Ca -0.16 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 2qae n PRO 307 Cb 0.52 -1.93 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 2qae n PRO 307 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2qae n ASP 308 N 1.56 -1.12 -4.19 2.55 10.43 -1.26 -4.99 116.55 119.52 2qae n ASP 308 Ca 0.11 0.00 -0.33 0.00 2.57 0.00 0.00 54.79 57.15 2qae n ASP 308 Cb 0.30 -0.62 -0.16 0.00 1.84 0.00 0.00 41.12 42.48 2qae n ASP 308 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 2qae s VAL 309 N -2.95 2.19 0.35 2.53 1.01 -0.73 -1.72 120.40 121.09 2qae s VAL 309 Ca 0.00 -0.93 0.08 0.00 0.00 0.00 0.00 61.98 61.13 2qae s VAL 309 Cb 0.00 -1.89 -0.07 0.00 0.00 0.00 0.00 36.38 34.42 2qae s VAL 309 CO 0.00 0.54 -0.05 -0.31 0.00 0.00 0.00 175.10 175.29 2qae s TYR 310 N 0.84 2.33 -0.02 5.22 2.02 0.21 -1.11 117.35 126.84 2qae s TYR 310 Ca -0.06 -0.62 -0.14 0.00 -0.37 0.00 0.00 57.07 55.88 2qae s TYR 310 Cb -0.15 -1.45 0.02 0.00 -0.40 0.00 0.00 41.96 39.98 2qae s TYR 310 CO -0.02 0.45 0.29 0.00 -1.57 0.00 0.00 175.55 174.70 2qae s ALA 311 N -2.76 -0.73 0.25 3.71 0.00 -0.44 0.11 121.76 121.90 2qae s ALA 311 Ca 0.33 0.30 -0.08 0.00 0.00 0.00 0.00 51.96 52.50 2qae s ALA 311 Cb 0.05 0.05 -0.01 0.00 0.00 0.00 0.00 23.12 23.21 2qae s ALA 311 CO 0.16 -0.25 0.38 0.96 0.00 0.00 0.00 175.76 177.01 2qae s ILE 312 N -1.26 0.00 0.00 0.00 -4.36 -0.51 -4.80 121.20 110.27 2qae s ILE 312 Ca -0.13 -1.60 0.00 0.00 -0.26 0.00 0.00 60.65 58.66 2qae s ILE 312 Cb -0.05 -2.34 0.00 0.00 1.25 0.00 0.00 42.46 41.32 2qae s ILE 312 CO 0.04 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.83 2qae n GLY 313 N -0.37 -0.53 0.27 6.27 0.00 -1.26 -4.13 105.19 105.44 2qae n GLY 313 Ca -0.00 -1.14 0.13 0.00 0.00 0.00 0.00 46.02 45.01 2qae n GLY 313 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2qae h ASP 314 N 7.16 0.00 0.84 1.61 5.19 -1.89 -2.78 116.42 126.55 2qae h ASP 314 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2qae h ASP 314 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 2qae h ASP 314 CO 0.00 0.08 0.00 0.55 -3.12 0.00 0.00 179.24 176.75 2qae n VAL 315 N -3.75 0.47 -3.79 -1.35 3.14 -1.24 -4.70 118.33 107.11 2qae n VAL 315 Ca -0.02 0.08 -0.23 0.00 -2.96 0.00 0.00 64.34 61.21 2qae n VAL 315 Cb 0.19 -0.73 -0.02 0.00 -1.06 0.00 0.00 33.84 32.21 2qae n VAL 315 CO 0.00 0.00 0.00 0.68 -6.46 0.00 0.00 176.83 171.05 2qae s VAL 316 N -3.03 5.22 -0.32 1.55 -7.23 -1.05 -0.81 120.40 114.73 2qae s VAL 316 Ca 0.11 -0.74 0.00 0.00 -1.81 0.00 0.00 61.98 59.53 2qae s VAL 316 Cb 0.14 -3.83 0.00 0.00 0.56 0.00 0.00 36.38 33.25 2qae s VAL 316 CO 0.43 -0.33 0.76 -0.90 -0.31 0.00 0.00 175.10 174.75 2qae n ASP 317 N -1.29 2.14 -4.12 4.85 3.85 -0.87 -4.81 116.55 116.32 2qae n ASP 317 Ca -0.07 -1.82 -0.18 0.00 -0.71 0.00 0.00 54.79 52.01 2qae n ASP 317 Cb 0.56 -0.46 -0.13 0.00 -1.35 0.00 0.00 41.12 39.75 2qae n ASP 317 CO 0.00 0.00 0.00 -0.75 -1.01 0.00 0.00 177.20 175.44 2qae s LYS 318 N -0.26 0.79 0.35 0.11 2.20 -1.26 -4.99 119.74 116.68 2qae s LYS 318 Ca 0.00 -0.73 0.00 0.00 -0.36 0.00 0.00 55.97 54.88 2qae s LYS 318 Cb 0.00 -0.76 0.00 0.00 -1.51 0.00 0.00 37.83 35.56 2qae s LYS 318 CO 0.00 0.18 0.00 0.41 -0.36 0.00 0.00 175.35 175.58 2qae n GLY 319 N 1.83 -1.99 3.88 5.54 0.00 -1.26 -4.87 105.19 108.31 2qae n GLY 319 Ca -0.19 -1.15 -0.31 0.00 0.00 0.00 0.00 46.02 44.37 2qae n GLY 319 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2qae s PRO 320 N -2.35 3.47 -1.13 1.61 0.04 -1.26 -4.97 135.00 130.41 2qae s PRO 320 Ca 0.00 0.65 -0.18 0.00 0.04 0.00 0.00 61.00 61.51 2qae s PRO 320 Cb 0.00 -2.10 0.10 0.00 0.04 0.00 0.00 34.50 32.55 2qae s PRO 320 CO 0.00 -0.62 1.46 -1.64 0.04 0.00 0.00 177.00 176.25 2qae s MET 321 N -5.17 3.83 0.06 4.56 -1.94 -1.26 -4.88 119.30 114.50 2qae s MET 321 Ca 0.55 -1.88 0.02 0.00 -1.71 0.00 0.00 55.69 52.67 2qae s MET 321 Cb -0.11 -5.25 -0.03 0.00 2.01 0.00 0.00 34.83 31.45 2qae s MET 321 CO 0.53 -2.02 -0.07 -0.51 -0.01 0.00 0.00 175.02 172.94 2qae s LEU 322 N 3.43 2.35 0.12 -0.03 1.43 -1.26 -5.05 118.68 119.67 2qae s LEU 322 Ca 0.45 -0.71 -0.14 0.00 -1.03 0.00 0.00 54.13 52.69 2qae s LEU 322 Cb -0.01 -0.09 -0.03 0.00 0.03 0.00 0.00 46.19 46.10 2qae s LEU 322 CO -0.02 -0.32 1.54 0.00 0.23 0.00 0.00 176.35 177.79 2qae h ALA 323 N 3.95 0.53 0.00 4.21 0.00 -1.99 -2.51 119.26 123.46 2qae h ALA 323 Ca -0.35 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.22 2qae h ALA 323 Cb 1.19 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 2qae h ALA 323 CO 0.50 0.36 -0.22 1.12 0.00 0.00 0.00 179.25 181.00 2qae h HIS 324 N 0.54 0.00 -0.11 0.00 -0.00 -1.97 -0.47 115.15 113.14 2qae h HIS 324 Ca 0.10 0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.44 2qae h HIS 324 Cb 0.55 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.96 2qae h HIS 324 CO 0.04 0.22 -0.05 -0.22 -0.00 0.00 0.00 177.93 177.93 2qae h LYS 325 N 0.00 0.22 -0.83 5.12 3.64 -1.83 -1.08 116.57 121.80 2qae h LYS 325 Ca -0.00 -0.10 0.01 0.00 -1.27 0.00 0.00 60.65 59.29 2qae h LYS 325 Cb 0.58 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.35 2qae h LYS 325 CO 0.03 0.57 0.54 0.00 -2.27 0.00 0.00 179.45 178.32 2qae h ALA 326 N 0.65 1.05 -0.44 5.00 0.00 -1.06 -0.08 119.26 124.38 2qae h ALA 326 Ca 0.02 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2qae h ALA 326 Cb 0.50 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2qae h ALA 326 CO 0.02 0.47 0.21 1.49 0.00 0.00 0.00 179.25 181.44 2qae h GLU 327 N 1.13 0.63 -0.05 0.00 4.81 -1.00 0.16 114.58 120.26 2qae h GLU 327 Ca 0.30 -0.09 -0.10 0.00 -0.13 0.00 0.00 59.36 59.34 2qae h GLU 327 Cb -0.12 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.14 2qae h GLU 327 CO -0.06 0.55 -0.43 -0.44 -0.73 0.00 0.00 179.01 177.90 2qae h ASP 328 N 0.57 0.12 -0.10 1.04 3.45 -0.78 -1.64 116.42 119.08 2qae h ASP 328 Ca 0.15 -0.05 -0.14 0.00 0.43 0.00 0.00 57.03 57.42 2qae h ASP 328 Cb 0.12 -0.03 -0.01 0.00 -0.56 0.00 0.00 39.33 38.85 2qae h ASP 328 CO -0.02 0.54 -0.42 -0.33 -1.57 0.00 0.00 179.24 177.44 2qae h GLU 329 N 0.10 0.64 -0.48 3.56 5.08 -0.63 -1.22 114.58 121.63 2qae h GLU 329 Ca 0.01 -0.34 -0.00 0.00 -1.00 0.00 0.00 59.36 58.02 2qae h GLU 329 Cb 0.80 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.04 2qae h GLU 329 CO 0.06 0.94 0.29 0.78 -1.00 0.00 0.00 179.01 180.08 2qae h GLY 330 N 1.00 0.70 0.84 -3.84 0.00 -0.14 0.11 103.07 101.74 2qae h GLY 330 Ca 0.04 -0.29 -0.00 0.00 0.00 0.00 0.00 47.33 47.07 2qae h GLY 330 CO 0.09 0.28 0.02 -2.08 0.00 0.00 0.00 176.54 174.85 2qae h VAL 331 N 0.64 1.16 -0.75 4.60 2.07 -1.19 -1.43 116.25 121.34 2qae h VAL 331 Ca 0.17 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 2qae h VAL 331 Cb 0.00 1.35 -0.04 0.00 -1.52 0.00 0.00 31.29 31.09 2qae h VAL 331 CO -0.03 0.13 0.43 0.00 0.02 0.00 0.00 177.57 178.13 2qae h ALA 332 N 0.84 0.96 -0.35 1.67 0.00 -1.10 -0.68 119.26 120.61 2qae h ALA 332 Ca 0.02 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 2qae h ALA 332 Cb 0.19 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2qae h ALA 332 CO -0.00 0.45 0.06 0.00 0.00 0.00 0.00 179.25 179.76 2qae h ALA 334 N 0.91 0.79 -0.52 0.00 0.00 -0.98 0.05 119.26 119.50 2qae h ALA 334 Ca 0.11 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2qae h ALA 334 Cb 0.34 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2qae h ALA 334 CO 0.01 0.13 0.29 0.93 0.00 0.00 0.00 179.25 180.61 2qae h GLU 335 N 0.75 0.73 -0.43 0.00 5.08 -0.87 -1.98 114.58 117.85 2qae h GLU 335 Ca 0.24 -0.08 0.01 0.00 -1.00 0.00 0.00 59.36 58.53 2qae h GLU 335 Cb 0.00 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 2qae h GLU 335 CO -0.09 0.55 0.27 0.82 -1.00 0.00 0.00 179.01 179.56 2qae h ILE 336 N 0.70 1.08 0.00 3.13 2.04 -0.58 0.10 117.51 123.99 2qae h ILE 336 Ca 0.19 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 2qae h ILE 336 Cb 0.03 0.48 -0.00 0.00 -0.74 0.00 0.00 36.82 36.60 2qae h ILE 336 CO -0.03 0.10 -0.03 -0.07 0.00 0.00 0.00 178.15 178.12 2qae h LEU 337 N 0.55 0.00 -1.34 1.44 3.38 -0.53 -1.41 115.31 117.40 2qae h LEU 337 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2qae h LEU 337 Cb -0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2qae h LEU 337 CO -0.05 0.03 0.00 0.00 0.09 0.00 0.00 178.44 178.51 2qae n ALA 338 N -2.24 2.49 -0.64 1.53 0.00 -0.76 -4.89 120.51 116.00 2qae n ALA 338 Ca -0.02 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 52.79 2qae n ALA 338 Cb 0.13 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.55 2qae n ALA 338 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qae n GLY 339 N 1.18 0.66 3.90 0.00 0.00 -0.53 -5.05 105.19 105.34 2qae n GLY 339 Ca 0.16 -0.24 -0.23 0.00 0.00 0.00 0.00 46.02 45.71 2qae n GLY 339 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qae s LYS 340 N -0.67 3.24 -0.76 1.61 1.02 0.29 -4.99 119.74 119.48 2qae s LYS 340 Ca 0.00 -0.80 -0.26 0.00 0.02 0.00 0.00 55.97 54.93 2qae s LYS 340 Cb 0.00 -2.80 0.04 0.00 -0.52 0.00 0.00 37.83 34.55 2qae s LYS 340 CO 0.00 0.45 1.24 -1.25 -0.92 0.00 0.00 175.35 174.88 2qae s PRO 341 N -3.63 3.23 0.15 -1.68 0.04 -1.26 -3.10 135.00 128.75 2qae s PRO 341 Ca 0.33 -0.47 0.05 0.00 0.04 0.00 0.00 61.00 60.95 2qae s PRO 341 Cb -0.09 -4.34 -0.04 0.00 0.04 0.00 0.00 34.50 30.07 2qae s PRO 341 CO 0.27 -2.09 0.09 0.20 0.04 0.00 0.00 177.00 175.51 2qae s GLY 342 N 3.87 1.77 -0.04 0.56 0.00 -1.26 -4.93 107.32 107.29 2qae s GLY 342 Ca 0.34 -1.22 -0.30 0.00 0.00 0.00 0.00 44.72 43.55 2qae s GLY 342 CO 0.11 -1.22 0.93 -2.38 0.00 0.00 0.00 173.10 170.53 2qae s HIS 343 N -1.67 -0.33 -0.00 1.90 -3.43 -1.26 -4.90 115.29 105.59 2qae s HIS 343 Ca 0.30 0.25 0.08 0.00 -0.80 0.00 0.00 55.06 54.88 2qae s HIS 343 Cb -0.10 0.53 -0.02 0.00 -1.43 0.00 0.00 32.58 31.55 2qae s HIS 343 CO 0.22 -0.49 -0.25 0.08 -2.00 0.00 0.00 174.74 172.29 2qae s VAL 344 N -2.85 2.01 -0.74 -5.38 1.01 -1.26 -4.85 120.40 108.35 2qae s VAL 344 Ca 0.05 -1.16 -0.17 0.00 0.00 0.00 0.00 61.98 60.70 2qae s VAL 344 Cb -0.01 -1.68 0.16 0.00 0.00 0.00 0.00 36.38 34.84 2qae s VAL 344 CO -0.07 0.50 0.78 0.21 0.00 0.00 0.00 175.10 176.52 2qae s ASN 345 N -0.77 6.48 0.22 3.32 3.84 -1.26 -4.89 114.94 121.89 2qae s ASN 345 Ca 0.10 -2.07 0.20 0.00 0.21 0.00 0.00 52.86 51.31 2qae s ASN 345 Cb -0.10 -2.27 0.91 0.00 -0.55 0.00 0.00 41.25 39.24 2qae s ASN 345 CO -0.00 -0.87 1.62 -1.22 -2.79 0.00 0.00 177.10 173.84 2qae n TYR 346 N 5.34 0.63 1.26 0.43 4.01 -1.26 -1.79 117.16 125.78 2qae n TYR 346 Ca 0.05 0.27 0.14 0.00 -0.16 0.00 0.00 57.90 58.20 2qae n TYR 346 Cb 0.45 -0.93 0.60 0.00 -0.31 0.00 0.00 39.34 39.15 2qae n TYR 346 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2qae n GLY 347 N -0.39 -1.20 2.36 2.72 0.00 -1.26 -4.28 105.19 103.14 2qae n GLY 347 Ca 0.01 -0.21 -0.26 0.00 0.00 0.00 0.00 46.02 45.57 2qae n GLY 347 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2qae n VAL 348 N -1.23 0.15 -3.94 1.61 0.31 -0.74 -4.18 118.33 110.31 2qae n VAL 348 Ca 0.11 -4.26 -0.30 0.00 -0.01 0.00 0.00 64.34 59.89 2qae n VAL 348 Cb 0.29 -1.95 -0.16 0.00 -0.91 0.00 0.00 33.84 31.11 2qae n VAL 348 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2qae s ILE 349 N -1.26 1.44 0.86 2.52 1.01 -1.26 -4.88 121.20 119.63 2qae s ILE 349 Ca 0.35 -0.99 -0.12 0.00 0.00 0.00 0.00 60.65 59.88 2qae s ILE 349 Cb 0.12 -1.63 0.11 0.00 0.01 0.00 0.00 42.46 41.06 2qae s ILE 349 CO -0.11 0.04 1.11 -2.16 0.00 0.00 0.00 174.94 173.82 2qae s PRO 350 N 1.46 1.56 -0.02 2.79 0.04 -1.26 -4.60 135.00 134.97 2qae s PRO 350 Ca -0.03 0.52 -0.01 0.00 0.04 0.00 0.00 61.00 61.53 2qae s PRO 350 Cb -0.17 -1.87 0.02 0.00 0.04 0.00 0.00 34.50 32.52 2qae s PRO 350 CO -0.07 -1.96 0.05 0.00 0.04 0.00 0.00 177.00 175.06 2qae s ALA 351 N -3.17 -0.03 0.01 8.56 0.00 -0.46 -5.00 121.76 121.68 2qae s ALA 351 Ca 0.62 0.29 0.05 0.00 0.00 0.00 0.00 51.96 52.92 2qae s ALA 351 Cb -0.15 -0.21 -0.02 0.00 0.00 0.00 0.00 23.12 22.74 2qae s ALA 351 CO 0.54 -0.08 -0.14 0.08 0.00 0.00 0.00 175.76 176.16 2qae s VAL 352 N 0.73 1.13 -0.19 0.00 1.01 -1.26 -1.29 120.40 120.53 2qae s VAL 352 Ca -0.06 -0.77 -0.01 0.00 0.00 0.00 0.00 61.98 61.14 2qae s VAL 352 Cb -0.08 -0.97 0.00 0.00 0.00 0.00 0.00 36.38 35.33 2qae s VAL 352 CO -0.02 0.19 -0.13 -0.63 0.00 0.00 0.00 175.10 174.51 2qae s ILE 353 N -0.54 2.71 -0.26 2.22 1.01 0.42 -4.98 121.20 121.78 2qae s ILE 353 Ca 0.04 -0.73 0.02 0.00 0.00 0.00 0.00 60.65 59.99 2qae s ILE 353 Cb -0.06 -2.18 0.37 0.00 0.01 0.00 0.00 42.46 40.60 2qae s ILE 353 CO 0.00 0.49 1.53 -1.22 0.00 0.00 0.00 174.94 175.74 2qae n TYR 354 N 4.56 1.73 -0.86 3.97 4.01 -1.26 -1.96 117.16 127.34 2qae n TYR 354 Ca -0.19 -1.28 -0.14 0.00 -0.16 0.00 0.00 57.90 56.13 2qae n TYR 354 Cb 0.51 -0.65 0.12 0.00 -0.31 0.00 0.00 39.34 39.00 2qae n TYR 354 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 2qae n THR 355 N -0.42 0.00 -3.79 -0.72 -2.24 -1.26 -4.92 114.28 100.93 2qae n THR 355 Ca 0.34 -0.26 -0.26 0.00 -2.27 0.00 0.00 64.05 61.59 2qae n THR 355 Cb 1.15 -1.21 -0.17 0.00 -2.10 0.00 0.00 70.33 68.01 2qae n THR 355 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 2qae s MET 356 N -4.21 0.86 0.83 -0.78 1.75 -1.26 -2.75 119.30 113.75 2qae s MET 356 Ca 0.34 -0.30 -0.10 0.00 -1.25 0.00 0.00 55.69 54.38 2qae s MET 356 Cb -0.03 -1.76 0.10 0.00 2.84 0.00 0.00 34.83 35.98 2qae s MET 356 CO 0.26 -0.48 1.12 -1.25 -0.65 0.00 0.00 175.02 174.01 2qae s PRO 357 N 1.83 1.70 0.55 4.11 0.04 -1.26 -4.85 135.00 137.11 2qae s PRO 357 Ca 0.01 1.36 -0.05 0.00 0.04 0.00 0.00 61.00 62.36 2qae s PRO 357 Cb -0.15 -1.82 -0.00 0.00 0.04 0.00 0.00 34.50 32.56 2qae s PRO 357 CO -0.07 -2.09 0.85 -1.21 0.04 0.00 0.00 177.00 174.52 2qae s GLU 358 N -4.76 3.09 -0.06 4.56 2.02 0.27 -4.83 118.70 118.99 2qae s GLU 358 Ca 0.64 0.01 0.02 0.00 0.02 0.00 0.00 54.97 55.66 2qae s GLU 358 Cb -0.20 -2.32 0.01 0.00 0.10 0.00 0.00 34.13 31.72 2qae s GLU 358 CO 0.56 -0.54 -0.10 0.08 0.02 0.00 0.00 175.26 175.28 2qae s VAL 359 N -2.89 0.98 -0.01 2.63 1.01 -0.83 -1.73 120.40 119.56 2qae s VAL 359 Ca 0.52 -0.40 0.02 0.00 0.00 0.00 0.00 61.98 62.12 2qae s VAL 359 Cb -0.10 -0.91 0.00 0.00 0.00 0.00 0.00 36.38 35.37 2qae s VAL 359 CO 0.44 0.32 -0.06 0.00 0.00 0.00 0.00 175.10 175.81 2qae s ALA 360 N 0.65 0.52 0.02 5.51 0.00 -0.04 -0.44 121.76 127.99 2qae s ALA 360 Ca -0.13 -0.22 0.01 0.00 0.00 0.00 0.00 51.96 51.62 2qae s ALA 360 Cb -0.15 -0.17 -0.02 0.00 0.00 0.00 0.00 23.12 22.78 2qae s ALA 360 CO 0.03 0.10 -0.04 -1.12 0.00 0.00 0.00 175.76 174.72 2qae s SER 361 N 0.04 0.44 -0.05 0.00 0.01 -0.41 -0.33 113.70 113.40 2qae s SER 361 Ca 0.00 -0.42 -0.13 0.00 1.31 0.00 0.00 55.95 56.71 2qae s SER 361 Cb -0.04 0.05 0.02 0.00 0.21 0.00 0.00 66.02 66.26 2qae s SER 361 CO -0.00 -0.20 0.31 0.54 0.41 0.00 0.00 173.24 174.29 2qae s VAL 362 N -1.14 0.04 0.00 3.43 0.11 -0.52 -1.35 120.40 120.97 2qae s VAL 362 Ca -0.11 -0.32 0.00 0.00 -2.93 0.00 0.00 61.98 58.62 2qae s VAL 362 Cb -0.08 -0.55 0.00 0.00 -1.53 0.00 0.00 36.38 34.22 2qae s VAL 362 CO -0.00 -0.18 0.00 0.61 -3.33 0.00 0.00 175.10 172.20 2qae n GLY 363 N 1.85 -0.92 3.87 6.54 0.00 -1.26 -1.40 105.19 113.87 2qae n GLY 363 Ca -0.19 -1.26 -0.31 0.00 0.00 0.00 0.00 46.02 44.26 2qae n GLY 363 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qae s LYS 364 N 0.00 3.83 0.54 1.61 -0.14 0.26 -4.89 119.74 120.96 2qae s LYS 364 Ca 0.00 0.44 -0.00 0.00 -1.36 0.00 0.00 55.97 55.04 2qae s LYS 364 Cb 0.00 -2.48 0.02 0.00 -1.68 0.00 0.00 37.83 33.69 2qae s LYS 364 CO 0.00 0.12 0.78 -1.54 -0.76 0.00 0.00 175.35 173.95 2qae s SER 365 N -2.73 5.41 0.14 2.83 1.04 -1.26 -4.25 113.70 114.88 2qae s SER 365 Ca 0.50 0.17 -0.15 0.00 0.48 0.00 0.00 55.95 56.96 2qae s SER 365 Cb -0.10 -1.15 0.01 0.00 0.10 0.00 0.00 66.02 64.88 2qae s SER 365 CO 0.25 -1.06 1.65 -0.33 0.98 0.00 0.00 173.24 174.73 2qae h GLU 366 N 0.08 0.69 -0.86 4.02 5.08 -1.98 -1.96 114.58 119.64 2qae h GLU 366 Ca -0.44 -0.16 0.16 0.00 -1.00 0.00 0.00 59.36 57.93 2qae h GLU 366 Cb 1.28 -0.10 -0.10 0.00 0.50 0.00 0.00 28.75 30.34 2qae h GLU 366 CO 0.55 0.68 0.43 -0.44 -1.00 0.00 0.00 179.01 179.24 2qae h ASP 367 N 0.57 0.50 -0.20 1.42 3.45 -1.96 0.11 116.42 120.31 2qae h ASP 367 Ca 0.14 0.10 -0.18 0.00 0.43 0.00 0.00 57.03 57.53 2qae h ASP 367 Cb 0.29 0.03 -0.00 0.00 -0.56 0.00 0.00 39.33 39.09 2qae h ASP 367 CO -0.00 0.18 -0.53 -0.33 -1.57 0.00 0.00 179.24 176.99 2qae h GLU 368 N 0.58 0.79 -0.72 3.56 5.08 -1.88 -1.83 114.58 120.16 2qae h GLU 368 Ca 0.49 -0.49 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 2qae h GLU 368 Cb 0.74 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.02 2qae h GLU 368 CO -0.40 1.12 0.19 -0.07 -1.00 0.00 0.00 179.01 178.85 2qae h LEU 369 N 0.61 1.08 -0.20 1.33 3.38 -0.39 -0.31 115.31 120.80 2qae h LEU 369 Ca 0.02 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 2qae h LEU 369 Cb 1.12 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 2qae h LEU 369 CO 0.11 1.03 0.10 0.11 0.09 0.00 0.00 178.44 179.88 2qae h LYS 370 N 1.08 0.29 -0.76 1.13 1.57 -0.82 -0.60 116.57 118.47 2qae h LYS 370 Ca 0.23 -0.04 0.06 0.00 -1.87 0.00 0.00 60.65 59.02 2qae h LYS 370 Cb 0.36 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.57 2qae h LYS 370 CO 0.00 0.32 0.50 -0.22 -0.57 0.00 0.00 179.45 179.47 2qae h LYS 371 N 0.20 0.81 -0.01 3.15 3.64 -0.96 -1.41 116.57 121.99 2qae h LYS 371 Ca 0.07 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2qae h LYS 371 Cb 0.12 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 2qae h LYS 371 CO -0.01 0.54 -0.04 0.39 -2.27 0.00 0.00 179.45 178.05 2qae n GLU 372 N -4.48 1.39 -1.76 1.90 1.02 -0.16 -4.94 120.64 113.61 2qae n GLU 372 Ca 0.11 -0.71 -0.12 0.00 -0.02 0.00 0.00 57.16 56.42 2qae n GLU 372 Cb 0.20 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 30.10 2qae n GLU 372 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2qae n GLY 373 N 1.18 0.63 3.73 0.62 0.00 -0.32 -4.99 105.19 106.03 2qae n GLY 373 Ca 0.18 -0.43 -0.41 0.00 0.00 0.00 0.00 46.02 45.36 2qae n GLY 373 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qae s VAL 374 N -2.51 4.62 -0.26 1.61 1.01 -0.65 -5.01 120.40 119.21 2qae s VAL 374 Ca 0.00 1.95 -0.24 0.00 0.00 0.00 0.00 61.98 63.68 2qae s VAL 374 Cb 0.00 -4.27 -0.00 0.00 0.00 0.00 0.00 36.38 32.11 2qae s VAL 374 CO 0.00 0.30 0.83 0.00 0.00 0.00 0.00 175.10 176.23 2qae s ALA 375 N 0.15 3.61 0.20 5.51 0.00 -1.26 -4.71 121.76 125.27 2qae s ALA 375 Ca 0.45 -0.21 0.04 0.00 0.00 0.00 0.00 51.96 52.25 2qae s ALA 375 Cb -0.22 -3.31 -0.05 0.00 0.00 0.00 0.00 23.12 19.54 2qae s ALA 375 CO 0.28 -1.02 -0.04 1.52 0.00 0.00 0.00 175.76 176.49 2qae s TYR 376 N 2.91 1.45 0.07 0.00 -0.85 -1.26 -1.29 117.35 118.38 2qae s TYR 376 Ca 0.35 -0.86 0.09 0.00 -0.52 0.00 0.00 57.07 56.12 2qae s TYR 376 Cb -0.15 -0.81 -0.03 0.00 0.38 0.00 0.00 41.96 41.35 2qae s TYR 376 CO 0.09 0.00 -0.23 0.21 -1.52 0.00 0.00 175.55 174.11 2qae s LYS 377 N -3.82 1.81 -0.12 -3.49 2.20 0.35 -4.70 119.74 111.96 2qae s LYS 377 Ca 0.24 -1.12 -0.00 0.00 -0.36 0.00 0.00 55.97 54.73 2qae s LYS 377 Cb 0.04 -2.05 -0.02 0.00 -1.51 0.00 0.00 37.83 34.29 2qae s LYS 377 CO 0.06 0.51 -0.12 0.08 -0.36 0.00 0.00 175.35 175.51 2qae s VAL 378 N -0.94 3.13 -0.15 4.02 1.01 -1.26 -1.00 120.40 125.22 2qae s VAL 378 Ca 0.14 -0.64 -0.00 0.00 0.00 0.00 0.00 61.98 61.48 2qae s VAL 378 Cb -0.10 -2.31 -0.01 0.00 0.00 0.00 0.00 36.38 33.95 2qae s VAL 378 CO 0.05 0.53 -0.13 -0.83 0.00 0.00 0.00 175.10 174.72 2qae s GLY 379 N 0.25 1.53 -0.03 4.51 0.00 0.35 -4.82 107.32 109.11 2qae s GLY 379 Ca -0.08 -0.96 0.02 0.00 0.00 0.00 0.00 44.72 43.70 2qae s GLY 379 CO 0.05 -0.07 -0.07 1.25 0.00 0.00 0.00 173.10 174.26 2qae s LYS 380 N 0.58 0.86 -0.08 2.90 2.20 -1.26 -0.66 119.74 124.28 2qae s LYS 380 Ca -0.08 -0.23 0.00 0.00 -0.36 0.00 0.00 55.97 55.31 2qae s LYS 380 Cb -0.16 -0.82 0.02 0.00 -1.51 0.00 0.00 37.83 35.37 2qae s LYS 380 CO 0.03 0.05 -0.06 0.12 -0.36 0.00 0.00 175.35 175.13 2qae s PHE 381 N 0.39 1.15 0.28 4.03 2.19 -0.38 -4.87 117.98 120.77 2qae s PHE 381 Ca -0.06 -0.47 -0.17 0.00 0.33 0.00 0.00 56.93 56.56 2qae s PHE 381 Cb -0.10 -0.99 -0.09 0.00 -1.31 0.00 0.00 43.02 40.53 2qae s PHE 381 CO 0.00 -0.37 0.73 -1.25 1.83 0.00 0.00 175.22 176.17 2qae s PRO 382 N 1.43 4.12 0.18 10.12 0.04 -1.26 -1.19 135.00 148.44 2qae s PRO 382 Ca -0.02 0.77 0.21 0.00 0.04 0.00 0.00 61.00 62.00 2qae s PRO 382 Cb -0.13 -2.64 0.87 0.00 0.04 0.00 0.00 34.50 32.64 2qae s PRO 382 CO -0.04 0.27 1.63 1.19 0.04 0.00 0.00 177.00 180.09 2qae n PHE 383 N 0.15 0.57 1.46 0.56 3.01 -0.15 -1.67 117.46 121.38 2qae n PHE 383 Ca 0.01 0.22 0.11 0.00 1.01 0.00 0.00 57.45 58.80 2qae n PHE 383 Cb 0.52 -0.86 0.66 0.00 -0.01 0.00 0.00 39.48 39.79 2qae n PHE 383 CO 0.00 0.00 0.00 0.27 1.01 0.00 0.00 176.76 178.04 2qae n ASN 384 N -2.02 0.00 -0.15 4.37 0.23 -1.18 -1.64 115.26 114.88 2qae n ASN 384 Ca 0.02 -0.76 0.02 0.00 -0.53 0.00 0.00 54.58 53.33 2qae n ASN 384 Cb 0.21 0.00 0.03 0.00 -2.08 0.00 0.00 39.78 37.94 2qae n ASN 384 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2qae n ALA 385 N -0.98 2.29 -2.45 -2.53 0.00 -0.67 -4.92 120.51 111.25 2qae n ALA 385 Ca 0.17 -0.77 -0.38 0.00 0.00 0.00 0.00 53.44 52.46 2qae n ALA 385 Cb 0.08 -0.11 -0.06 0.00 0.00 0.00 0.00 19.45 19.36 2qae n ALA 385 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2qae s ASN 386 N -0.61 6.93 0.13 0.00 3.84 -0.65 -4.89 114.94 119.69 2qae s ASN 386 Ca 0.05 1.10 -0.25 0.00 0.21 0.00 0.00 52.86 53.97 2qae s ASN 386 Cb 0.03 -2.33 -0.04 0.00 -0.55 0.00 0.00 41.25 38.37 2qae s ASN 386 CO 0.04 0.20 1.64 0.77 -2.79 0.00 0.00 177.10 176.95 2qae h SER 387 N 5.22 -0.72 -0.32 -4.21 4.64 -1.87 -1.03 113.55 115.25 2qae h SER 387 Ca -0.47 0.11 -0.07 0.00 -0.47 0.00 0.00 61.79 60.88 2qae h SER 387 Cb 1.21 0.31 -0.01 0.00 -0.31 0.00 0.00 62.40 63.59 2qae h SER 387 CO 0.67 -0.30 -0.06 -0.09 -0.87 0.00 0.00 176.83 176.17 2qae h ARG 388 N -0.35 0.61 -0.77 4.77 2.43 -1.84 -0.65 114.38 118.59 2qae h ARG 388 Ca 0.08 -0.23 0.01 0.00 -0.81 0.00 0.00 59.98 59.03 2qae h ARG 388 Cb 0.46 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.93 2qae h ARG 388 CO -0.25 0.78 0.51 0.00 -1.51 0.00 0.00 179.97 179.50 2qae h ALA 389 N 0.81 0.98 -0.37 2.80 0.00 -1.80 -1.28 119.26 120.39 2qae h ALA 389 Ca 0.08 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.78 2qae h ALA 389 Cb 0.55 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2qae h ALA 389 CO 0.03 0.39 -0.40 0.87 0.00 0.00 0.00 179.25 180.14 2qae h LYS 390 N 1.05 0.94 -0.64 0.00 1.57 -1.09 -0.62 116.57 117.78 2qae h LYS 390 Ca 0.28 -0.51 0.03 0.00 -1.87 0.00 0.00 60.65 58.59 2qae h LYS 390 Cb -0.12 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.18 2qae h LYS 390 CO -0.06 1.16 0.42 0.00 -0.57 0.00 0.00 179.45 180.40 2qae h ALA 391 N 0.76 1.66 -0.38 3.86 0.00 -0.53 -2.58 119.26 122.05 2qae h ALA 391 Ca 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2qae h ALA 391 Cb 1.00 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2qae h ALA 391 CO 0.10 0.27 0.00 1.33 0.00 0.00 0.00 179.25 180.95 2qae n VAL 392 N -4.46 0.81 -3.58 0.00 0.24 -0.54 -5.00 118.33 105.79 2qae n VAL 392 Ca 0.08 -0.90 -0.22 0.00 -2.04 0.00 0.00 64.34 61.26 2qae n VAL 392 Cb 0.14 0.66 0.07 0.00 -1.47 0.00 0.00 33.84 33.24 2qae n VAL 392 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 2qae n SER 393 N 0.87 -3.86 -3.43 -1.34 2.88 -0.36 -4.95 113.62 103.43 2qae n SER 393 Ca 0.14 -0.63 -0.26 0.00 -1.33 0.00 0.00 58.87 56.79 2qae n SER 393 Cb 0.47 -4.83 -0.09 0.00 -0.75 0.00 0.00 64.21 59.00 2qae n SER 393 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2qae n THR 394 N -4.54 0.23 1.16 2.46 -2.24 -0.51 -4.97 114.28 105.87 2qae n THR 394 Ca -0.14 -4.26 0.10 0.00 -2.27 0.00 0.00 64.05 57.48 2qae n THR 394 Cb 0.61 -1.94 0.35 0.00 -2.10 0.00 0.00 70.33 67.25 2qae n THR 394 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2qae n GLU 395 N 1.79 1.76 -2.08 -0.78 1.02 -1.26 -4.72 120.64 116.38 2qae n GLU 395 Ca 0.25 -1.15 -0.37 0.00 -0.02 0.00 0.00 57.16 55.87 2qae n GLU 395 Cb 0.46 -1.39 0.01 0.00 -0.02 0.00 0.00 31.44 30.51 2qae n GLU 395 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2qae s ASP 396 N -1.50 5.68 0.00 1.62 -0.00 -1.26 -3.09 116.67 118.12 2qae s ASP 396 Ca 0.32 2.44 0.00 0.00 -0.00 0.00 0.00 52.55 55.30 2qae s ASP 396 Cb 0.17 -2.61 0.00 0.00 -0.00 0.00 0.00 42.92 40.48 2qae s ASP 396 CO 0.25 -1.26 0.00 0.61 -0.00 0.00 0.00 175.17 174.77 2qae n GLY 397 N 0.51 -1.80 3.80 0.21 0.00 -1.26 -4.46 105.19 102.19 2qae n GLY 397 Ca 0.10 -1.87 -0.04 0.00 0.00 0.00 0.00 46.02 44.21 2qae n GLY 397 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2qae s PHE 398 N 0.00 -0.06 -0.08 1.61 -0.71 -0.50 -0.98 117.98 117.26 2qae s PHE 398 Ca 0.00 -0.32 0.04 0.00 -1.04 0.00 0.00 56.93 55.61 2qae s PHE 398 Cb 0.00 0.68 -0.01 0.00 -1.21 0.00 0.00 43.02 42.48 2qae s PHE 398 CO 0.00 -0.96 -0.20 0.08 -1.34 0.00 0.00 175.22 172.80 2qae s VAL 399 N -2.97 2.50 -0.09 -2.49 1.01 -0.33 -1.24 120.40 116.78 2qae s VAL 399 Ca 0.15 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.25 2qae s VAL 399 Cb -0.02 -1.97 0.02 0.00 0.00 0.00 0.00 36.38 34.40 2qae s VAL 399 CO 0.04 0.56 -0.13 -0.75 0.00 0.00 0.00 175.10 174.83 2qae s LYS 400 N -0.05 1.91 -0.10 2.72 2.20 0.07 -1.25 119.74 125.24 2qae s LYS 400 Ca -0.05 -0.45 0.03 0.00 -0.36 0.00 0.00 55.97 55.13 2qae s LYS 400 Cb -0.14 -1.66 -0.01 0.00 -1.51 0.00 0.00 37.83 34.50 2qae s LYS 400 CO 0.05 -0.07 -0.20 0.08 -0.36 0.00 0.00 175.35 174.85 2qae s VAL 401 N 1.01 2.48 -0.17 4.02 1.01 0.17 -0.88 120.40 128.03 2qae s VAL 401 Ca -0.07 -0.88 -0.04 0.00 0.00 0.00 0.00 61.98 60.99 2qae s VAL 401 Cb -0.15 -1.98 -0.02 0.00 0.00 0.00 0.00 36.38 34.23 2qae s VAL 401 CO -0.01 0.55 -0.04 -0.76 0.00 0.00 0.00 175.10 174.84 2qae s LEU 402 N 0.17 3.16 0.15 3.92 1.43 -0.30 -0.50 118.68 126.72 2qae s LEU 402 Ca -0.11 -0.20 0.07 0.00 -1.03 0.00 0.00 54.13 52.86 2qae s LEU 402 Cb -0.16 -1.77 -0.04 0.00 0.03 0.00 0.00 46.19 44.25 2qae s LEU 402 CO 0.06 0.12 -0.16 0.68 0.23 0.00 0.00 176.35 177.28 2qae s VAL 403 N 0.67 1.62 -0.10 -1.59 -7.23 -0.17 0.18 120.40 113.78 2qae s VAL 403 Ca -0.02 -1.89 -0.29 0.00 -1.81 0.00 0.00 61.98 57.97 2qae s VAL 403 Cb -0.14 -1.76 -0.05 0.00 0.56 0.00 0.00 36.38 34.99 2qae s VAL 403 CO 0.02 -0.40 1.61 -0.62 -0.31 0.00 0.00 175.10 175.41 2qae s ASP 404 N -2.68 6.62 0.63 4.85 2.15 -0.37 -0.50 116.67 127.38 2qae s ASP 404 Ca 0.14 2.06 0.36 0.00 0.43 0.00 0.00 52.55 55.53 2qae s ASP 404 Cb -0.05 -2.53 2.02 0.00 -0.30 0.00 0.00 42.92 42.06 2qae s ASP 404 CO 0.05 -0.99 2.24 0.07 -0.17 0.00 0.00 175.17 176.37 2qae h LYS 405 N 9.70 0.00 0.09 4.34 5.09 -1.47 -0.56 116.57 133.76 2qae h LYS 405 Ca -0.37 0.00 -0.27 0.00 0.09 0.00 0.00 60.65 60.11 2qae h LYS 405 Cb 1.17 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 33.49 2qae h LYS 405 CO 0.96 0.00 -1.38 0.00 -2.09 0.00 0.00 179.45 176.94 2qae h ALA 406 N 1.88 0.21 -0.01 0.07 0.00 -1.90 -3.42 119.26 116.10 2qae h ALA 406 Ca 0.02 -1.12 0.00 0.00 0.00 0.00 0.00 54.91 53.81 2qae h ALA 406 Cb 0.17 0.53 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2qae h ALA 406 CO -0.00 0.82 -0.18 0.25 0.00 0.00 0.00 179.25 180.14 2qae n THR 407 N -4.00 0.00 -1.01 0.00 -2.24 -1.10 -4.99 114.28 100.94 2qae n THR 407 Ca -0.26 -0.41 -0.00 0.00 -2.27 0.00 0.00 64.05 61.10 2qae n THR 407 Cb 0.86 1.22 -0.00 0.00 -2.10 0.00 0.00 70.33 70.31 2qae n THR 407 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2qae n ASP 408 N 0.22 -4.81 -4.74 3.42 4.64 -0.24 -4.95 116.55 110.09 2qae n ASP 408 Ca 0.07 0.01 -0.41 0.00 -1.38 0.00 0.00 54.79 53.08 2qae n ASP 408 Cb 0.32 -2.34 -0.03 0.00 -1.04 0.00 0.00 41.12 38.03 2qae n ASP 408 CO 0.00 0.00 0.00 -0.60 -0.82 0.00 0.00 177.20 175.78 2qae s ARG 409 N -1.27 4.51 0.01 -0.67 3.52 -1.26 -1.49 118.95 122.30 2qae s ARG 409 Ca 0.00 1.89 -0.30 0.00 -0.13 0.00 0.00 55.73 57.18 2qae s ARG 409 Cb 0.00 -3.22 -0.06 0.00 -1.56 0.00 0.00 34.95 30.12 2qae s ARG 409 CO 0.00 -0.04 1.40 0.42 -0.81 0.00 0.00 175.30 176.27 2qae s ILE 410 N -0.33 3.69 -0.06 4.11 1.01 -0.34 -1.23 121.20 128.05 2qae s ILE 410 Ca 0.51 1.09 0.19 0.00 0.00 0.00 0.00 60.65 62.43 2qae s ILE 410 Cb -0.33 -3.70 -0.28 0.00 0.01 0.00 0.00 42.46 38.16 2qae s ILE 410 CO 0.39 0.00 0.35 0.18 0.00 0.00 0.00 174.94 175.86 2qae n LEU 411 N 5.31 0.00 -3.58 2.97 4.77 0.13 -4.92 117.00 121.68 2qae n LEU 411 Ca 0.13 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 56.04 2qae n LEU 411 Cb 0.44 0.09 -0.04 0.00 -2.33 0.00 0.00 43.42 41.58 2qae n LEU 411 CO 0.59 0.09 0.87 -0.83 -1.33 0.00 0.00 177.39 176.77 2qae s GLY 412 N -4.42 -0.26 -0.02 -0.72 0.00 -1.17 -0.57 107.32 100.15 2qae s GLY 412 Ca -0.07 1.85 -0.01 0.00 0.00 0.00 0.00 44.72 46.49 2qae s GLY 412 CO 0.79 0.79 0.04 0.14 0.00 0.00 0.00 173.10 174.86 2qae s VAL 413 N -1.79 -0.05 -0.04 1.40 1.01 -0.49 -1.15 120.40 119.29 2qae s VAL 413 Ca 0.04 0.17 0.01 0.00 0.00 0.00 0.00 61.98 62.20 2qae s VAL 413 Cb -0.01 -0.09 0.02 0.00 0.00 0.00 0.00 36.38 36.30 2qae s VAL 413 CO -0.03 0.07 -0.06 -1.00 0.00 0.00 0.00 175.10 174.08 2qae s HIS 414 N 0.86 0.77 -0.03 5.22 3.76 -0.06 -1.44 115.29 124.37 2qae s HIS 414 Ca -0.07 -0.21 0.02 0.00 -0.15 0.00 0.00 55.06 54.65 2qae s HIS 414 Cb -0.10 -0.64 0.01 0.00 1.11 0.00 0.00 32.58 32.96 2qae s HIS 414 CO -0.03 -0.16 -0.07 0.42 -0.85 0.00 0.00 174.74 174.06 2qae s ILE 415 N 0.67 0.62 -0.16 0.60 1.01 0.55 -0.75 121.20 123.72 2qae s ILE 415 Ca -0.09 -0.25 0.00 0.00 0.00 0.00 0.00 60.65 60.31 2qae s ILE 415 Cb -0.12 -0.57 0.03 0.00 0.01 0.00 0.00 42.46 41.81 2qae s ILE 415 CO 0.00 0.21 -0.09 -0.69 0.00 0.00 0.00 174.94 174.37 2qae s VAL 416 N 0.36 1.38 -0.08 2.92 1.01 -0.37 -0.86 120.40 124.76 2qae s VAL 416 Ca -0.05 -0.69 -0.31 0.00 0.00 0.00 0.00 61.98 60.92 2qae s VAL 416 Cb -0.09 -1.43 0.12 0.00 0.00 0.00 0.00 36.38 34.98 2qae s VAL 416 CO 0.00 0.26 1.38 0.00 0.00 0.00 0.00 175.10 176.75 2qae h THR 418 N 2.00 0.02 0.00 0.00 1.35 -1.85 0.80 112.91 115.24 2qae h THR 418 Ca -0.27 -0.19 -0.06 0.00 -0.55 0.00 0.00 66.41 65.34 2qae h THR 418 Cb 1.18 1.18 -0.14 0.00 -1.73 0.00 0.00 68.15 68.65 2qae h THR 418 CO 0.30 0.00 -0.67 0.41 -0.25 0.00 0.00 175.52 175.31 2qae n THR 419 N -3.11 1.36 -0.30 6.82 -1.04 -1.26 -4.56 114.28 112.19 2qae n THR 419 Ca -0.02 -2.33 0.02 0.00 -2.04 0.00 0.00 64.05 59.69 2qae n THR 419 Cb 0.15 0.22 0.22 0.00 -1.82 0.00 0.00 70.33 69.10 2qae n THR 419 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2qae h ALA 420 N 0.93 1.47 -0.81 2.41 0.00 -1.81 -2.45 119.26 119.00 2qae h ALA 420 Ca -0.08 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 54.87 2qae h ALA 420 Cb 1.33 -0.30 -0.07 0.00 0.00 0.00 0.00 17.79 18.75 2qae h ALA 420 CO 0.04 0.43 0.48 0.78 0.00 0.00 0.00 179.25 180.97 2qae h GLY 421 N 1.08 1.24 1.78 0.00 0.00 -1.88 -1.97 103.07 103.33 2qae h GLY 421 Ca 0.37 -0.33 -0.14 0.00 0.00 0.00 0.00 47.33 47.22 2qae h GLY 421 CO -0.12 0.18 -0.81 0.83 0.00 0.00 0.00 176.54 176.61 2qae h GLU 422 N 0.84 0.00 -0.04 4.80 4.39 -1.89 -3.31 114.58 119.37 2qae h GLU 422 Ca 0.38 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.97 2qae h GLU 422 Cb 0.27 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 2qae h GLU 422 CO -0.21 0.57 -0.47 -0.07 -1.16 0.00 0.00 179.01 177.66 2qae h LEU 423 N 0.00 0.09 -1.93 1.33 3.38 -0.96 -3.25 115.31 113.97 2qae h LEU 423 Ca -0.04 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 2qae h LEU 423 Cb 1.52 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 42.24 2qae h LEU 423 CO 0.08 0.55 -0.11 -0.29 0.09 0.00 0.00 178.44 178.75 2qae h ILE 424 N 0.07 0.57 -0.88 1.22 6.09 -1.46 -2.68 117.51 120.45 2qae h ILE 424 Ca 0.00 -0.51 0.10 0.00 -1.37 0.00 0.00 64.86 63.08 2qae h ILE 424 Cb 0.86 1.33 -0.08 0.00 0.47 0.00 0.00 36.82 39.41 2qae h ILE 424 CO 0.07 0.11 0.52 1.23 -3.07 0.00 0.00 178.15 177.00 2qae h GLY 425 N 0.81 1.38 1.01 8.18 0.00 -1.75 0.16 103.07 112.86 2qae h GLY 425 Ca -0.00 -0.34 -0.00 0.00 0.00 0.00 0.00 47.33 46.98 2qae h GLY 425 CO 0.01 0.14 0.49 -2.09 0.00 0.00 0.00 176.54 175.09 2qae h GLU 426 N 0.85 1.08 -0.46 4.80 4.81 -1.71 -1.41 114.58 122.55 2qae h GLU 426 Ca 0.43 -0.10 -0.10 0.00 -0.13 0.00 0.00 59.36 59.46 2qae h GLU 426 Cb 0.40 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 2qae h GLU 426 CO -0.25 0.76 -0.12 0.00 -0.73 0.00 0.00 179.01 178.66 2qae h ALA 427 N 1.26 0.92 -0.39 2.92 0.00 -1.19 -1.54 119.26 121.24 2qae h ALA 427 Ca 0.29 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2qae h ALA 427 Cb -0.05 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 2qae h ALA 427 CO -0.05 0.62 0.14 0.00 0.00 0.00 0.00 179.25 179.96 2qae h LEU 429 N 0.49 0.92 -0.47 0.00 5.85 -1.14 -0.05 115.31 120.91 2qae h LEU 429 Ca 0.13 -0.22 0.07 0.00 0.84 0.00 0.00 57.88 58.70 2qae h LEU 429 Cb 0.22 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 40.95 2qae h LEU 429 CO -0.01 0.90 0.13 0.00 -0.34 0.00 0.00 178.44 179.12 2qae h ALA 430 N 1.06 0.54 -0.01 1.25 0.00 -1.01 -1.74 119.26 119.35 2qae h ALA 430 Ca 0.20 0.08 -0.19 0.00 0.00 0.00 0.00 54.91 55.00 2qae h ALA 430 Cb 0.32 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2qae h ALA 430 CO -0.00 -0.27 -0.81 0.52 0.00 0.00 0.00 179.25 178.68 2qae h MET 431 N 0.28 0.21 -0.75 0.00 2.86 -0.82 0.51 114.93 117.22 2qae h MET 431 Ca 0.23 -0.21 0.02 0.00 -2.06 0.00 0.00 59.70 57.68 2qae h MET 431 Cb 0.26 0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.94 2qae h MET 431 CO -0.26 0.91 0.49 1.49 1.06 0.00 0.00 176.91 180.60 2qae h GLU 432 N 0.13 0.93 -0.00 1.72 4.57 -0.74 -1.37 114.58 119.81 2qae h GLU 432 Ca -0.04 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.09 2qae h GLU 432 Cb 1.42 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 29.80 2qae h GLU 432 CO 0.12 0.62 -0.14 0.66 -1.18 0.00 0.00 179.01 179.09 2qae n TYR 433 N -4.44 0.00 -2.28 0.92 4.01 -0.68 -4.94 117.16 109.75 2qae n TYR 433 Ca 0.09 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.71 2qae n TYR 433 Cb 0.08 -0.22 -0.00 0.00 -0.31 0.00 0.00 39.34 38.88 2qae n TYR 433 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2qae n GLY 434 N 1.33 -0.09 3.72 2.72 0.00 -0.52 -4.98 105.19 107.37 2qae n GLY 434 Ca 0.13 -0.38 -0.34 0.00 0.00 0.00 0.00 46.02 45.42 2qae n GLY 434 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qae s ALA 435 N -2.62 2.13 0.39 4.61 0.00 0.10 -4.81 121.76 121.56 2qae s ALA 435 Ca 0.02 0.85 0.05 0.00 0.00 0.00 0.00 51.96 52.88 2qae s ALA 435 Cb -0.01 -3.46 -0.00 0.00 0.00 0.00 0.00 23.12 19.65 2qae s ALA 435 CO 0.03 -1.86 0.55 -1.54 0.00 0.00 0.00 175.76 172.94 2qae s SER 436 N -2.09 5.84 0.41 0.00 1.04 -1.26 -1.20 113.70 116.44 2qae s SER 436 Ca 0.74 -0.12 0.12 0.00 0.48 0.00 0.00 55.95 57.16 2qae s SER 436 Cb -0.28 -1.16 0.88 0.00 0.10 0.00 0.00 66.02 65.55 2qae s SER 436 CO 0.45 -0.59 1.94 0.77 0.98 0.00 0.00 173.24 176.79 2qae h SER 437 N 0.69 0.09 -0.26 7.02 4.64 -1.59 -2.45 113.55 121.69 2qae h SER 437 Ca -0.45 -0.02 -0.09 0.00 -0.47 0.00 0.00 61.79 60.77 2qae h SER 437 Cb 1.26 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 63.31 2qae h SER 437 CO 0.52 0.29 -0.12 -0.08 -0.87 0.00 0.00 176.83 176.57 2qae h GLU 438 N 0.09 0.67 -0.49 4.77 4.81 -1.83 0.18 114.58 122.78 2qae h GLU 438 Ca 0.02 -0.22 0.03 0.00 -0.13 0.00 0.00 59.36 59.06 2qae h GLU 438 Cb 0.38 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.67 2qae h GLU 438 CO 0.03 0.78 0.27 -0.44 -0.73 0.00 0.00 179.01 178.91 2qae h ASP 439 N 0.61 0.41 -0.02 1.04 3.45 -1.83 -0.33 116.42 119.75 2qae h ASP 439 Ca 0.11 0.02 -0.19 0.00 0.43 0.00 0.00 57.03 57.40 2qae h ASP 439 Cb 0.56 -0.06 0.01 0.00 -0.56 0.00 0.00 39.33 39.28 2qae h ASP 439 CO 0.04 0.29 -0.71 0.58 -1.57 0.00 0.00 179.24 177.86 2qae h VAL 440 N 0.53 1.37 -0.04 -1.35 2.07 -1.46 -3.24 116.25 114.13 2qae h VAL 440 Ca 0.21 -2.08 -0.00 0.00 0.82 0.00 0.00 66.70 65.65 2qae h VAL 440 Cb 0.08 2.45 -0.00 0.00 -1.52 0.00 0.00 31.29 32.29 2qae h VAL 440 CO -0.12 0.62 0.02 1.23 0.02 0.00 0.00 177.57 179.33 2qae h GLY 441 N 0.10 0.06 -1.10 2.17 0.00 -0.45 -1.76 103.07 102.09 2qae h GLY 441 Ca -0.08 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.22 2qae h GLY 441 CO 0.14 0.02 0.00 0.54 0.00 0.00 0.00 176.54 177.25 2qae n ARG 442 N -4.52 1.88 -3.19 4.80 1.74 -0.15 -4.88 116.66 112.33 2qae n ARG 442 Ca -0.02 -1.32 -0.37 0.00 -0.77 0.00 0.00 57.85 55.37 2qae n ARG 442 Cb 0.10 -1.42 -0.06 0.00 -1.02 0.00 0.00 32.46 30.06 2qae n ARG 442 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2qae s THR 443 N -1.74 4.65 -0.06 0.55 2.01 -0.66 -5.01 115.64 115.37 2qae s THR 443 Ca 0.33 1.24 -0.30 0.00 0.31 0.00 0.00 61.69 63.28 2qae s THR 443 Cb 0.18 -3.90 -0.04 0.00 0.01 0.00 0.00 72.50 68.76 2qae s THR 443 CO 0.27 0.39 1.28 0.00 -0.69 0.00 0.00 174.62 175.87 2qae s HIS 445 N 2.53 2.81 0.57 0.00 3.76 -1.26 -5.09 115.29 118.60 2qae s HIS 445 Ca 0.58 -0.08 -0.20 0.00 -0.15 0.00 0.00 55.06 55.21 2qae s HIS 445 Cb -0.26 -1.63 -0.04 0.00 1.11 0.00 0.00 32.58 31.76 2qae s HIS 445 CO 0.22 0.30 1.29 0.00 -0.85 0.00 0.00 174.74 175.69 2qae s ALA 446 N -0.86 2.69 -0.08 -1.40 0.00 -1.26 -4.97 121.76 115.88 2qae s ALA 446 Ca 0.14 1.19 0.04 0.00 0.00 0.00 0.00 51.96 53.33 2qae s ALA 446 Cb -0.11 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.50 2qae s ALA 446 CO 0.04 -1.28 -0.21 -1.58 0.00 0.00 0.00 175.76 172.73 2qae s HIS 447 N -1.42 2.25 -0.16 0.00 5.04 -1.26 -3.17 115.29 116.57 2qae s HIS 447 Ca 0.74 -0.84 -0.16 0.00 -1.54 0.00 0.00 55.06 53.25 2qae s HIS 447 Cb -0.36 -1.52 -0.04 0.00 0.04 0.00 0.00 32.58 30.70 2qae s HIS 447 CO 0.41 -0.33 0.41 -1.25 -2.34 0.00 0.00 174.74 171.63 2qae s PRO 448 N 0.28 4.26 0.05 2.88 0.04 -1.26 -5.15 135.00 136.10 2qae s PRO 448 Ca -0.14 0.28 -0.04 0.00 0.04 0.00 0.00 61.00 61.14 2qae s PRO 448 Cb -0.16 -3.47 -0.02 0.00 0.04 0.00 0.00 34.50 30.89 2qae s PRO 448 CO 0.06 0.10 0.05 0.95 0.04 0.00 0.00 177.00 178.20 2qae s THR 449 N 0.86 0.16 0.20 1.26 -4.23 -1.19 -4.69 115.64 108.01 2qae s THR 449 Ca 0.21 -1.32 0.28 0.00 -1.18 0.00 0.00 61.69 59.69 2qae s THR 449 Cb -0.14 -1.07 0.30 0.00 1.34 0.00 0.00 72.50 72.92 2qae s THR 449 CO 0.08 -0.73 1.94 0.24 -0.54 0.00 0.00 174.62 175.61 2qae h MET 450 N 3.51 0.00 0.00 3.99 2.86 -1.96 -2.45 114.93 120.89 2qae h MET 450 Ca -0.33 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.31 2qae h MET 450 Cb 1.17 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.83 2qae h MET 450 CO 0.55 0.13 -0.00 0.66 1.06 0.00 0.00 176.91 179.31 2qae h SER 451 N 0.00 0.00 0.12 1.22 4.64 -1.95 -1.06 113.55 116.52 2qae h SER 451 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2qae h SER 451 Cb 0.57 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.66 2qae h SER 451 CO 0.02 0.00 -0.05 -0.33 -0.87 0.00 0.00 176.83 175.60 2qae h GLU 452 N 0.00 0.00 -0.01 4.77 5.08 -1.70 -1.08 114.58 121.64 2qae h GLU 452 Ca -0.00 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 2qae h GLU 452 Cb 0.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 2qae h GLU 452 CO 0.00 0.05 -0.45 0.00 -1.00 0.00 0.00 179.01 177.61 2qae h ALA 453 N 1.95 1.24 -0.15 3.43 0.00 -1.39 0.43 119.26 124.77 2qae h ALA 453 Ca -0.00 -0.41 -0.12 0.00 0.00 0.00 0.00 54.91 54.38 2qae h ALA 453 Cb 0.12 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2qae h ALA 453 CO 0.01 0.57 -0.36 1.25 0.00 0.00 0.00 179.25 180.72 2qae h LEU 454 N 0.02 0.57 -0.32 0.00 5.85 -1.34 -0.47 115.31 119.62 2qae h LEU 454 Ca -0.00 -0.57 0.03 0.00 0.84 0.00 0.00 57.88 58.17 2qae h LEU 454 Cb 0.80 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.64 2qae h LEU 454 CO 0.06 1.04 0.14 0.50 -0.34 0.00 0.00 178.44 179.85 2qae h LYS 455 N 0.13 0.30 -0.00 1.25 3.64 -1.15 -1.05 116.57 119.69 2qae h LYS 455 Ca -0.00 -0.02 -0.14 0.00 -1.27 0.00 0.00 60.65 59.22 2qae h LYS 455 Cb 0.96 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.70 2qae h LYS 455 CO 0.08 0.20 -0.67 0.93 -2.27 0.00 0.00 179.45 177.71 2qae h GLU 456 N 0.31 0.02 -0.33 1.90 5.08 -0.91 -0.56 114.58 120.08 2qae h GLU 456 Ca 0.14 -0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.38 2qae h GLU 456 Cb 0.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 2qae h GLU 456 CO -0.11 0.68 -0.23 0.00 -1.00 0.00 0.00 179.01 178.36 2qae h ALA 457 N 1.31 0.98 -0.61 3.43 0.00 -0.83 -0.46 119.26 123.07 2qae h ALA 457 Ca -0.01 -0.36 -0.09 0.00 0.00 0.00 0.00 54.91 54.46 2qae h ALA 457 Cb 1.19 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 2qae h ALA 457 CO 0.09 0.60 0.05 0.00 0.00 0.00 0.00 179.25 179.98 2qae h MET 459 N 0.95 0.00 0.00 0.00 2.07 -0.45 -0.70 114.93 116.80 2qae h MET 459 Ca 0.18 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.81 2qae h MET 459 Cb 0.50 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.23 2qae h MET 459 CO 0.02 0.10 0.00 0.00 1.07 0.00 0.00 176.91 178.10 2qae h ALA 460 N 1.90 1.00 0.00 6.32 0.00 -0.71 0.10 119.26 127.87 2qae h ALA 460 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2qae h ALA 460 Cb 0.19 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 2qae h ALA 460 CO 0.01 0.00 -0.28 -0.07 0.00 0.00 0.00 179.25 178.91 2qae h LEU 461 N 0.00 0.00 0.00 0.00 3.38 -1.09 -3.40 115.31 114.20 2qae h LEU 461 Ca 0.00 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.78 2qae h LEU 461 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 2qae h LEU 461 CO 0.00 0.75 -0.33 2.22 0.09 0.00 0.00 178.44 181.17 2qae n PHE 462 N -4.67 0.35 0.00 1.13 -1.74 -1.11 -4.94 117.46 106.47 2qae n PHE 462 Ca -0.07 0.10 0.00 0.00 -0.56 0.00 0.00 57.45 56.92 2qae n PHE 462 Cb 0.22 -0.56 0.00 0.00 1.52 0.00 0.00 39.48 40.65 2qae n PHE 462 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2qae n ALA 463 N -1.65 0.00 -2.72 1.98 0.00 0.26 -5.09 120.51 113.29 2qae n ALA 463 Ca 0.05 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.34 2qae n ALA 463 Cb 0.39 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.72 2qae n ALA 463 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2qae s LYS 464 N 3.58 0.68 0.81 0.00 1.02 -0.68 -4.53 119.74 120.62 2qae s LYS 464 Ca 0.00 -0.91 -0.11 0.00 0.02 0.00 0.00 55.97 54.96 2qae s LYS 464 Cb 0.00 -0.49 0.07 0.00 -0.52 0.00 0.00 37.83 36.89 2qae s LYS 464 CO 0.00 0.09 1.09 0.95 -0.92 0.00 0.00 175.35 176.57 2qae s THR 465 N -1.63 3.09 -0.24 2.17 -4.23 -1.26 -4.44 115.64 109.10 2qae s THR 465 Ca -0.04 0.35 -0.09 0.00 -1.18 0.00 0.00 61.69 60.74 2qae s THR 465 Cb -0.08 -3.04 -0.17 0.00 1.34 0.00 0.00 72.50 70.55 2qae s THR 465 CO 0.01 -0.46 -0.14 -0.38 -0.54 0.00 0.00 174.62 173.10 2qae n ILE 466 N -3.49 1.55 0.22 2.99 5.41 -1.26 -4.56 119.36 120.22 2qae n ILE 466 Ca 0.07 -0.44 0.07 0.00 1.00 0.00 0.00 62.75 63.45 2qae n ILE 466 Cb 0.56 -1.72 0.23 0.00 -0.71 0.00 0.00 39.64 37.99 2qae n ILE 466 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 2qae n ASN 467 N -3.83 3.12 0.00 4.38 3.02 -1.26 -5.26 115.26 115.43 2qae n ASN 467 Ca -0.46 -2.22 0.00 0.00 -0.03 0.00 0.00 54.58 51.87 2qae n ASN 467 Cb 0.92 -0.43 0.00 0.00 -0.61 0.00 0.00 39.78 39.66 2qae n ASN 467 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97