#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 3.04 0.23 1.20 0.04 -1.26 -5.09 135.00 133.15 2qae s PRO 2 Ca 0.00 -0.93 0.07 0.00 0.04 0.00 0.00 61.00 60.19 2qae s PRO 2 Cb 0.00 -2.67 -0.04 0.00 0.04 0.00 0.00 34.50 31.84 2qae s PRO 2 CO 0.00 0.44 0.11 0.71 0.04 0.00 0.00 177.00 178.30 2qae s TYR 3 N -1.98 2.99 0.01 0.56 2.02 0.16 -4.99 117.35 116.12 2qae s TYR 3 Ca 0.33 -0.12 -0.14 0.00 -0.37 0.00 0.00 57.07 56.76 2qae s TYR 3 Cb -0.09 -1.37 -0.34 0.00 -0.40 0.00 0.00 41.96 39.76 2qae s TYR 3 CO 0.25 0.54 0.91 -0.44 -1.57 0.00 0.00 175.55 175.25 2qae h ASP 4 N 1.92 0.77 -3.65 2.29 3.45 -1.31 -1.37 116.42 118.53 2qae h ASP 4 Ca -0.47 -0.90 -0.22 0.00 0.43 0.00 0.00 57.03 55.86 2qae h ASP 4 Cb 1.23 -0.25 -0.29 0.00 -0.56 0.00 0.00 39.33 39.46 2qae h ASP 4 CO 0.61 1.72 -0.61 -0.69 -1.57 0.00 0.00 179.24 178.70 2qae s VAL 5 N -2.60 -0.02 -0.10 -1.35 1.01 -0.89 -1.75 120.40 114.71 2qae s VAL 5 Ca -0.11 0.07 0.03 0.00 0.00 0.00 0.00 61.98 61.97 2qae s VAL 5 Cb 0.05 -0.17 0.00 0.00 0.00 0.00 0.00 36.38 36.26 2qae s VAL 5 CO 0.92 0.03 -0.21 -0.69 0.00 0.00 0.00 175.10 175.15 2qae s VAL 6 N 0.45 1.85 -0.18 2.92 1.01 -0.47 -1.69 120.40 124.28 2qae s VAL 6 Ca -0.03 -0.89 -0.03 0.00 0.00 0.00 0.00 61.98 61.02 2qae s VAL 6 Cb -0.05 -1.62 -0.02 0.00 0.00 0.00 0.00 36.38 34.69 2qae s VAL 6 CO -0.02 0.51 -0.05 -0.69 0.00 0.00 0.00 175.10 174.86 2qae s VAL 7 N 0.49 3.59 -0.41 2.92 1.01 0.47 -0.59 120.40 127.89 2qae s VAL 7 Ca -0.16 -0.45 -0.13 0.00 0.00 0.00 0.00 61.98 61.25 2qae s VAL 7 Cb -0.17 -2.59 0.04 0.00 0.00 0.00 0.00 36.38 33.65 2qae s VAL 7 CO 0.06 0.46 0.27 -0.63 0.00 0.00 0.00 175.10 175.27 2qae s ILE 8 N 0.83 4.85 0.00 2.22 1.01 -0.17 -0.10 121.20 129.84 2qae s ILE 8 Ca -0.01 -0.89 0.00 0.00 0.00 0.00 0.00 60.65 59.75 2qae s ILE 8 Cb -0.15 -3.76 0.00 0.00 0.01 0.00 0.00 42.46 38.56 2qae s ILE 8 CO 0.01 -0.34 0.00 0.61 0.00 0.00 0.00 174.94 175.22 2qae n GLY 9 N 5.07 3.95 1.05 6.18 0.00 0.11 -0.43 105.19 121.12 2qae n GLY 9 Ca -0.11 -1.32 0.01 0.00 0.00 0.00 0.00 46.02 44.60 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 0.01 4.50 0.27 -0.02 0.00 -1.26 -4.08 105.19 104.60 2qae n GLY 10 Ca 0.00 -1.14 -0.02 0.00 0.00 0.00 0.00 46.02 44.86 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 -0.86 -1.30 0.35 -0.02 0.00 -1.26 -0.88 105.19 101.21 2qae n GLY 11 Ca 0.28 -1.65 0.19 0.00 0.00 0.00 0.00 46.02 44.85 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 0.51 0.56 1.61 0.11 -1.91 0.22 132.00 133.09 2qae h PRO 12 Ca -0.03 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.02 2qae h PRO 12 Cb 0.08 -0.11 0.01 0.00 0.11 0.00 0.00 31.00 31.09 2qae h PRO 12 CO 0.02 0.33 -0.27 0.78 -0.21 0.00 0.00 178.00 178.66 2qae h GLY 13 N 0.52 -0.79 0.98 -0.55 0.00 -1.85 -3.08 103.07 98.30 2qae h GLY 13 Ca 0.66 0.29 -0.07 0.00 0.00 0.00 0.00 47.33 48.22 2qae h GLY 13 CO -0.49 -0.29 0.03 -1.33 0.00 0.00 0.00 176.54 174.46 2qae h GLY 14 N -1.18 0.87 1.80 4.60 0.00 -1.54 -1.16 103.07 106.46 2qae h GLY 14 Ca -0.08 -0.62 -0.11 0.00 0.00 0.00 0.00 47.33 46.53 2qae h GLY 14 CO 0.13 0.57 -0.42 0.10 0.00 0.00 0.00 176.54 176.92 2qae h TYR 15 N 0.67 0.26 -0.09 5.60 -0.00 -0.74 0.30 116.97 122.98 2qae h TYR 15 Ca 0.14 -0.07 -0.23 0.00 -0.00 0.00 0.00 58.73 58.57 2qae h TYR 15 Cb 0.46 -0.06 0.01 0.00 -0.00 0.00 0.00 36.73 37.14 2qae h TYR 15 CO 0.03 0.61 -0.86 0.28 -0.00 0.00 0.00 178.16 178.23 2qae h VAL 16 N 0.19 1.31 -0.66 -0.90 2.07 -1.49 -2.09 116.25 114.67 2qae h VAL 16 Ca 0.02 -2.12 -0.04 0.00 0.82 0.00 0.00 66.70 65.37 2qae h VAL 16 Cb 0.82 2.15 -0.03 0.00 -1.52 0.00 0.00 31.29 32.71 2qae h VAL 16 CO 0.06 0.66 0.25 0.00 0.02 0.00 0.00 177.57 178.56 2qae h ALA 17 N 0.59 1.19 -0.22 1.67 0.00 -0.95 -0.70 119.26 120.84 2qae h ALA 17 Ca -0.07 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 2qae h ALA 17 Cb 1.49 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 2qae h ALA 17 CO 0.17 0.58 0.08 0.77 0.00 0.00 0.00 179.25 180.85 2qae h SER 18 N 0.96 0.32 -0.31 0.00 0.02 -0.84 -0.50 113.55 113.20 2qae h SER 18 Ca 0.22 -0.19 -0.06 0.00 -0.84 0.00 0.00 61.79 60.92 2qae h SER 18 Cb 0.21 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 2qae h SER 18 CO -0.02 0.42 -0.04 0.40 -1.14 0.00 0.00 176.83 176.46 2qae h ILE 19 N 0.19 1.27 -0.58 3.27 2.04 -1.26 -2.04 117.51 120.40 2qae h ILE 19 Ca 0.07 -1.04 -0.05 0.00 1.00 0.00 0.00 64.86 64.85 2qae h ILE 19 Cb 0.22 1.33 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 2qae h ILE 19 CO -0.00 0.33 0.18 0.50 0.00 0.00 0.00 178.15 179.16 2qae h LYS 20 N 0.35 0.91 -0.51 2.37 1.63 -1.08 -0.48 116.57 119.75 2qae h LYS 20 Ca 0.08 -0.20 -0.01 0.00 -0.85 0.00 0.00 60.65 59.67 2qae h LYS 20 Cb 0.50 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 31.98 2qae h LYS 20 CO 0.02 0.82 0.27 0.00 -3.45 0.00 0.00 179.45 177.11 2qae h ALA 21 N 1.05 0.66 -0.85 5.00 0.00 -1.06 -0.70 119.26 123.36 2qae h ALA 21 Ca 0.19 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2qae h ALA 21 Cb 0.29 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 2qae h ALA 21 CO -0.01 0.19 0.44 0.00 0.00 0.00 0.00 179.25 179.88 2qae h ALA 22 N 1.11 1.09 -0.35 0.00 0.00 -1.15 -1.23 119.26 118.73 2qae h ALA 22 Ca 0.18 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 2qae h ALA 22 Cb 0.07 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 2qae h ALA 22 CO -0.03 0.62 -0.16 1.96 0.00 0.00 0.00 179.25 181.63 2qae h GLN 23 N 1.19 0.64 0.00 0.00 4.20 -0.67 -2.11 115.11 118.35 2qae h GLN 23 Ca 0.30 -0.22 0.00 0.00 0.06 0.00 0.00 58.65 58.79 2qae h GLN 23 Cb 0.06 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.79 2qae h GLN 23 CO -0.04 0.77 0.00 1.28 -0.67 0.00 0.00 178.83 180.17 2qae n LEU 24 N -4.15 0.00 0.00 1.46 4.77 -0.31 -4.88 117.00 113.89 2qae n LEU 24 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 2qae n LEU 24 Cb 0.38 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 2qae n LEU 24 CO 0.42 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 2qae n GLY 25 N 0.55 0.32 3.77 -0.72 0.00 -0.79 -5.04 105.19 103.28 2qae n GLY 25 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.99 4.58 -0.40 1.61 -1.94 -0.51 -4.99 119.30 116.66 2qae s MET 26 Ca 0.00 1.17 -0.29 0.00 -1.71 0.00 0.00 55.69 54.86 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 0.56 1.41 0.21 -0.01 0.00 0.00 175.02 177.18 2qae s LYS 27 N -1.09 3.60 0.00 2.03 2.20 -1.26 -4.03 119.74 121.18 2qae s LYS 27 Ca 0.36 0.96 0.08 0.00 -0.36 0.00 0.00 55.97 57.01 2qae s LYS 27 Cb -0.23 -4.02 -0.02 0.00 -1.51 0.00 0.00 37.83 32.05 2qae s LYS 27 CO 0.26 -1.54 -0.25 0.99 -0.36 0.00 0.00 175.35 174.46 2qae s THR 28 N 5.37 2.22 0.06 3.43 2.01 -1.26 -0.84 115.64 126.63 2qae s THR 28 Ca 0.61 -1.17 0.05 0.00 0.31 0.00 0.00 61.69 61.49 2qae s THR 28 Cb -0.14 -1.82 -0.03 0.00 0.01 0.00 0.00 72.50 70.53 2qae s THR 28 CO 0.32 0.50 -0.15 0.00 -0.69 0.00 0.00 174.62 174.60 2qae s ALA 29 N -0.70 1.21 -0.08 7.40 0.00 -0.68 -1.30 121.76 127.61 2qae s ALA 29 Ca 0.11 -0.97 0.02 0.00 0.00 0.00 0.00 51.96 51.12 2qae s ALA 29 Cb -0.10 -0.13 0.01 0.00 0.00 0.00 0.00 23.12 22.91 2qae s ALA 29 CO 0.01 0.19 -0.12 0.00 0.00 0.00 0.00 175.76 175.83 2qae s VAL 31 N 0.81 3.77 -0.05 0.00 1.01 0.86 -0.62 120.40 126.18 2qae s VAL 31 Ca -0.12 -0.38 -0.02 0.00 0.00 0.00 0.00 61.98 61.46 2qae s VAL 31 Cb -0.15 -2.69 0.04 0.00 0.00 0.00 0.00 36.38 33.58 2qae s VAL 31 CO 0.02 0.45 0.11 -0.70 0.00 0.00 0.00 175.10 174.98 2qae s GLU 32 N 0.85 0.05 0.22 2.72 2.56 -0.48 0.10 118.70 124.72 2qae s GLU 32 Ca -0.00 0.32 0.23 0.00 0.00 0.00 0.00 54.97 55.52 2qae s GLU 32 Cb -0.14 -0.21 0.03 0.00 2.00 0.00 0.00 34.13 35.81 2qae s GLU 32 CO 0.02 -0.17 1.09 1.57 -0.56 0.00 0.00 175.26 177.21 2qae h LYS 33 N 7.30 0.00 -0.22 4.30 2.10 -1.69 -0.82 116.57 127.54 2qae h LYS 33 Ca -0.43 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.19 2qae h LYS 33 Cb 1.13 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.45 2qae h LYS 33 CO 0.43 0.00 0.02 -0.09 -2.00 0.00 0.00 179.45 177.81 2qae h ARG 34 N 0.00 0.32 0.00 0.07 2.43 -1.97 -3.43 114.38 111.81 2qae h ARG 34 Ca 0.00 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2qae h ARG 34 Cb 1.00 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.49 2qae h ARG 34 CO 0.00 0.34 0.00 0.41 -1.51 0.00 0.00 179.97 179.21 2qae n GLY 35 N -1.14 0.57 3.38 2.80 0.00 -1.26 -5.05 105.19 104.49 2qae n GLY 35 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.27 0.68 4.61 0.00 -1.26 -5.17 121.76 117.34 2qae s ALA 36 Ca 0.00 0.73 -0.04 0.00 0.00 0.00 0.00 51.96 52.64 2qae s ALA 36 Cb 0.00 0.15 0.07 0.00 0.00 0.00 0.00 23.12 23.34 2qae s ALA 36 CO 0.00 -0.38 0.96 -0.51 0.00 0.00 0.00 175.76 175.84 2qae s LEU 37 N -1.51 2.94 0.00 0.00 1.43 -1.26 -4.55 118.68 115.73 2qae s LEU 37 Ca -0.10 0.26 0.00 0.00 -1.03 0.00 0.00 54.13 53.26 2qae s LEU 37 Cb -0.02 -2.91 0.00 0.00 0.03 0.00 0.00 46.19 43.29 2qae s LEU 37 CO 0.04 -1.55 0.00 0.61 0.23 0.00 0.00 176.35 175.68 2qae n GLY 38 N -2.80 1.80 7.00 -3.19 0.00 -0.06 -4.75 105.19 103.19 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 -1.26 1.01 0.19 -0.02 0.00 -1.18 -1.92 105.19 102.00 2qae n GLY 39 Ca 0.00 -0.64 -0.09 0.00 0.00 0.00 0.00 46.02 45.29 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 1.16 0.30 2.61 2.02 -1.95 -2.81 112.91 114.24 2qae h THR 40 Ca 0.00 -0.44 0.00 0.00 0.77 0.00 0.00 66.41 66.74 2qae h THR 40 Cb 0.00 0.71 -0.03 0.00 -1.74 0.00 0.00 68.15 67.09 2qae h THR 40 CO 0.00 0.17 -0.36 0.00 0.37 0.00 0.00 175.52 175.70 2qae h LEU 42 N -0.71 0.63 0.12 0.00 4.07 -1.46 0.22 115.31 118.18 2qae h LEU 42 Ca -0.01 -0.37 -0.31 0.00 0.08 0.00 0.00 57.88 57.27 2qae h LEU 42 Cb 0.66 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 42.21 2qae h LEU 42 CO -0.10 1.11 -1.62 0.78 -1.08 0.00 0.00 178.44 177.53 2qae h ASN 43 N 0.40 0.39 0.00 -0.43 4.21 -1.45 -3.40 115.58 115.30 2qae h ASN 43 Ca -0.01 -0.86 -0.09 0.00 1.21 0.00 0.00 56.30 56.54 2qae h ASN 43 Cb 1.21 -0.13 -0.19 0.00 -1.12 0.00 0.00 38.32 38.09 2qae h ASN 43 CO 0.12 1.70 -0.74 1.33 -1.29 0.00 0.00 177.43 178.56 2qae n VAL 44 N -3.80 0.00 0.00 2.81 0.24 0.03 -4.79 118.33 112.82 2qae n VAL 44 Ca -0.28 -0.49 0.00 0.00 -2.04 0.00 0.00 64.34 61.54 2qae n VAL 44 Cb 0.95 0.73 0.00 0.00 -1.47 0.00 0.00 33.84 34.04 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 0.24 2.73 0.39 7.63 0.00 0.13 -4.62 105.19 111.69 2qae n GLY 45 Ca 0.02 -0.33 -0.09 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 -0.27 0.63 -0.32 0.00 1.08 -1.55 -2.00 117.51 115.08 2qae h ILE 47 Ca 0.16 -0.62 -0.03 0.00 -0.39 0.00 0.00 64.86 63.98 2qae h ILE 47 Cb 0.57 0.92 -0.02 0.00 -3.07 0.00 0.00 36.82 35.22 2qae h ILE 47 CO -0.64 0.11 0.07 1.55 -0.69 0.00 0.00 178.15 178.55 2qae h PRO 48 N -0.82 0.46 -0.23 2.37 0.13 -1.77 -0.72 132.00 131.42 2qae h PRO 48 Ca -0.05 -0.07 -0.05 0.00 -0.87 0.00 0.00 66.00 64.97 2qae h PRO 48 Cb 0.52 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.56 2qae h PRO 48 CO 0.07 0.43 -0.05 0.66 -0.23 0.00 0.00 178.00 178.89 2qae h SER 49 N 0.45 0.44 0.17 1.44 4.64 -1.43 -1.91 113.55 117.36 2qae h SER 49 Ca 0.11 -0.36 -0.07 0.00 -0.47 0.00 0.00 61.79 61.00 2qae h SER 49 Cb 0.19 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.15 2qae h SER 49 CO -0.00 0.70 -0.27 0.11 -0.87 0.00 0.00 176.83 176.50 2qae h LYS 50 N 0.17 0.17 -0.38 4.77 6.56 -1.14 -0.26 116.57 126.46 2qae h LYS 50 Ca 0.06 -0.05 -0.06 0.00 -1.06 0.00 0.00 60.65 59.54 2qae h LYS 50 Cb 0.50 -0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 32.13 2qae h LYS 50 CO 0.02 0.43 0.02 0.00 -2.06 0.00 0.00 179.45 177.86 2qae h ALA 51 N 1.58 0.51 -0.15 3.86 0.00 -0.96 -1.07 119.26 123.03 2qae h ALA 51 Ca 0.02 -0.24 -0.16 0.00 0.00 0.00 0.00 54.91 54.54 2qae h ALA 51 Cb 0.56 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2qae h ALA 51 CO 0.04 0.27 -0.57 -0.07 0.00 0.00 0.00 179.25 178.92 2qae h LEU 52 N 0.49 0.53 -0.91 0.00 3.38 -1.09 -2.43 115.31 115.29 2qae h LEU 52 Ca 0.11 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.75 2qae h LEU 52 Cb 0.43 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 2qae h LEU 52 CO 0.02 0.99 0.29 -0.07 0.09 0.00 0.00 178.44 179.75 2qae h LEU 53 N 0.36 1.00 0.09 1.67 3.38 -0.94 -0.36 115.31 120.51 2qae h LEU 53 Ca 0.00 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 2qae h LEU 53 Cb 1.10 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.60 2qae h LEU 53 CO 0.10 0.89 -0.04 -0.74 0.09 0.00 0.00 178.44 178.74 2qae h HIS 54 N 1.06 -0.11 -0.65 1.13 2.76 -1.08 -0.61 115.15 117.65 2qae h HIS 54 Ca 0.24 -0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.41 2qae h HIS 54 Cb 0.21 0.04 -0.03 0.00 1.55 0.00 0.00 27.41 29.17 2qae h HIS 54 CO 0.02 0.16 0.40 0.00 -1.30 0.00 0.00 177.93 177.21 2qae h ALA 55 N 0.52 0.83 0.00 5.26 0.00 -1.38 -1.88 119.26 122.61 2qae h ALA 55 Ca -0.01 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 2qae h ALA 55 Cb 0.31 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2qae h ALA 55 CO 0.02 0.30 -0.48 1.79 0.00 0.00 0.00 179.25 180.88 2qae h THR 56 N 0.89 1.10 -0.49 0.00 1.35 -1.06 -2.13 112.91 112.57 2qae h THR 56 Ca 0.24 -1.78 -0.12 0.00 -0.55 0.00 0.00 66.41 64.19 2qae h THR 56 Cb -0.04 2.03 -0.02 0.00 -1.73 0.00 0.00 68.15 68.40 2qae h THR 56 CO -0.05 0.47 -0.17 -0.74 -0.25 0.00 0.00 175.52 174.78 2qae h HIS 57 N 0.00 1.09 -0.65 4.73 6.17 -0.55 -0.65 115.15 125.28 2qae h HIS 57 Ca -0.00 -0.24 -0.02 0.00 0.71 0.00 0.00 60.37 60.81 2qae h HIS 57 Cb 0.99 -0.26 -0.03 0.00 2.52 0.00 0.00 27.41 30.63 2qae h HIS 57 CO 0.00 1.04 0.33 -0.07 0.71 0.00 0.00 177.93 179.94 2qae h LEU 58 N 0.84 0.84 -0.22 0.26 3.38 -1.00 -1.22 115.31 118.19 2qae h LEU 58 Ca 0.12 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2qae h LEU 58 Cb 0.73 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 2qae h LEU 58 CO 0.06 0.72 0.12 0.22 0.09 0.00 0.00 178.44 179.65 2qae h TYR 59 N 0.89 0.30 -0.42 1.13 3.20 -1.15 -1.73 116.97 119.18 2qae h TYR 59 Ca 0.22 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.08 2qae h TYR 59 Cb 0.09 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.25 2qae h TYR 59 CO -0.00 0.27 0.25 1.25 -1.64 0.00 0.00 178.16 178.29 2qae h HIS 60 N 0.24 0.56 -0.79 -3.82 2.76 -0.88 -2.45 115.15 110.77 2qae h HIS 60 Ca 0.08 -0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.26 2qae h HIS 60 Cb 0.07 -0.18 -0.04 0.00 1.55 0.00 0.00 27.41 28.81 2qae h HIS 60 CO -0.04 0.40 0.52 -0.44 -1.30 0.00 0.00 177.93 177.08 2qae h ASP 61 N 0.56 0.90 -0.98 3.26 3.45 -1.09 0.40 116.42 122.92 2qae h ASP 61 Ca 0.15 -0.02 0.04 0.00 0.43 0.00 0.00 57.03 57.63 2qae h ASP 61 Cb 0.01 -0.22 -0.06 0.00 -0.56 0.00 0.00 39.33 38.50 2qae h ASP 61 CO -0.03 0.65 0.64 0.00 -1.57 0.00 0.00 179.24 178.93 2qae h ALA 62 N 1.30 1.37 0.12 3.45 0.00 -0.98 0.22 119.26 124.74 2qae h ALA 62 Ca 0.29 -0.04 -0.31 0.00 0.00 0.00 0.00 54.91 54.85 2qae h ALA 62 Cb -0.11 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.33 2qae h ALA 62 CO -0.07 0.52 -1.56 0.45 0.00 0.00 0.00 179.25 178.59 2qae h HIS 63 N 1.23 0.45 0.02 0.00 3.86 -0.94 -3.36 115.15 116.40 2qae h HIS 63 Ca 0.40 -0.33 -0.36 0.00 -1.16 0.00 0.00 60.37 58.92 2qae h HIS 63 Cb 0.03 -0.02 -0.06 0.00 1.06 0.00 0.00 27.41 28.42 2qae h HIS 63 CO -0.00 1.39 -2.25 0.00 0.86 0.00 0.00 177.93 177.94 2qae n ALA 64 N -2.68 1.40 0.03 2.45 0.00 0.14 -4.76 120.51 117.09 2qae n ALA 64 Ca -0.17 -1.08 0.01 0.00 0.00 0.00 0.00 53.44 52.21 2qae n ALA 64 Cb 1.04 -0.34 -0.02 0.00 0.00 0.00 0.00 19.45 20.13 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 -3.04 3.32 -0.22 0.00 3.02 0.62 -4.75 115.26 114.21 2qae n ASN 65 Ca -0.34 -0.14 0.03 0.00 -0.03 0.00 0.00 54.58 54.10 2qae n ASN 65 Cb 1.08 1.10 0.14 0.00 -0.61 0.00 0.00 39.78 41.48 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 0.14 -0.80 3.10 0.05 -1.28 -2.33 116.94 115.82 2qae h PHE 66 Ca 0.00 0.04 0.08 0.00 3.82 0.00 0.00 57.97 61.91 2qae h PHE 66 Cb 0.11 0.04 -0.05 0.00 2.00 0.00 0.00 35.95 38.05 2qae h PHE 66 CO 0.00 -0.11 0.52 0.00 -0.18 0.00 0.00 178.31 178.55 2qae h ALA 67 N 1.57 1.67 -0.57 2.45 0.00 -1.82 -1.92 119.26 120.64 2qae h ALA 67 Ca 0.36 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.32 2qae h ALA 67 Cb 0.59 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 2qae h ALA 67 CO -0.50 0.19 0.38 -0.09 0.00 0.00 0.00 179.25 179.23 2qae h ARG 68 N 0.82 0.52 -0.00 0.00 2.43 -1.72 -1.97 114.38 114.45 2qae h ARG 68 Ca 0.36 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.49 2qae h ARG 68 Cb 0.31 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 2qae h ARG 68 CO -0.13 0.34 -0.30 0.66 -1.51 0.00 0.00 179.97 179.03 2qae n TYR 69 N -4.47 0.00 0.00 2.20 4.02 -0.80 -4.92 117.16 113.18 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 0.25 -0.24 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 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 1.42 0.92 3.67 2.72 0.00 -0.74 -5.08 105.19 108.10 2qae n GLY 70 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 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 4.17 0.11 0.99 1.02 -0.79 -4.98 118.68 119.19 2qae s LEU 71 Ca 0.00 0.87 0.03 0.00 0.02 0.00 0.00 54.13 55.05 2qae s LEU 71 Cb 0.00 -2.90 -0.04 0.00 0.02 0.00 0.00 46.19 43.27 2qae s LEU 71 CO 0.00 -0.24 0.12 -0.04 0.02 0.00 0.00 176.35 176.21 2qae s MET 72 N 1.72 2.98 0.00 1.70 -1.94 -1.26 -2.95 119.30 119.55 2qae s MET 72 Ca 0.29 -0.72 0.00 0.00 -1.71 0.00 0.00 55.69 53.56 2qae s MET 72 Cb -0.16 -2.75 0.00 0.00 2.01 0.00 0.00 34.83 33.93 2qae s MET 72 CO 0.11 0.54 0.00 0.41 -0.01 0.00 0.00 175.02 176.07 2qae n GLY 73 N 0.13 0.67 0.26 -0.03 0.00 -1.26 -4.95 105.19 100.01 2qae n GLY 73 Ca -0.08 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.03 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 0.00 2.00 -0.02 0.00 -1.81 -1.20 103.07 102.04 2qae h GLY 74 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2qae h GLY 74 CO 0.00 0.00 -0.06 0.83 0.00 0.00 0.00 176.54 177.31 2qae h GLU 75 N 0.00 0.00 -0.05 4.80 3.07 -1.88 -2.30 114.58 118.22 2qae h GLU 75 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2qae h GLU 75 Cb 0.05 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.96 2qae h GLU 75 CO 0.00 0.06 0.00 0.41 -1.40 0.00 0.00 179.01 178.09 2qae n GLY 76 N -0.98 -0.58 3.73 -3.84 0.00 -0.45 -4.85 105.19 98.22 2qae n GLY 76 Ca -0.02 -0.22 -0.40 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.94 4.94 0.24 1.61 1.01 -0.86 -5.05 120.40 120.35 2qae s VAL 77 Ca 0.31 1.48 0.09 0.00 0.00 0.00 0.00 61.98 63.85 2qae s VAL 77 Cb 0.15 -4.05 -0.05 0.00 0.00 0.00 0.00 36.38 32.43 2qae s VAL 77 CO 0.24 0.30 -0.14 0.42 0.00 0.00 0.00 175.10 175.93 2qae s THR 78 N 0.45 1.91 -0.20 3.92 -4.23 -1.26 -5.01 115.64 111.22 2qae s THR 78 Ca 0.37 -2.24 -0.05 0.00 -1.18 0.00 0.00 61.69 58.59 2qae s THR 78 Cb -0.19 -2.19 -0.03 0.00 1.34 0.00 0.00 72.50 71.43 2qae s THR 78 CO 0.19 -0.49 0.01 -0.32 -0.54 0.00 0.00 174.62 173.47 2qae s MET 79 N -3.63 3.63 -0.60 3.99 1.75 -1.26 -5.05 119.30 118.14 2qae s MET 79 Ca 0.26 -0.51 -0.23 0.00 -1.25 0.00 0.00 55.69 53.96 2qae s MET 79 Cb -0.01 -3.09 0.06 0.00 2.84 0.00 0.00 34.83 34.63 2qae s MET 79 CO 0.10 0.02 0.91 0.34 -0.65 0.00 0.00 175.02 175.74 2qae s ASP 80 N 0.99 6.24 0.57 1.11 3.68 -1.26 -4.92 116.67 123.08 2qae s ASP 80 Ca 0.02 -0.74 0.25 0.00 2.13 0.00 0.00 52.55 54.21 2qae s ASP 80 Cb -0.14 -2.41 1.63 0.00 -1.45 0.00 0.00 42.92 40.55 2qae s ASP 80 CO 0.02 -1.28 2.21 0.77 0.13 0.00 0.00 175.17 177.01 2qae h SER 81 N 9.39 0.00 -0.22 -0.34 4.64 -1.97 -0.47 113.55 124.58 2qae h SER 81 Ca -0.28 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.94 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 0.00 -0.27 0.00 -0.87 0.00 0.00 176.83 176.81 2qae h ALA 82 N 1.97 0.33 -0.13 5.18 0.00 -1.91 -1.72 119.26 122.98 2qae h ALA 82 Ca 0.01 -0.39 -0.12 0.00 0.00 0.00 0.00 54.91 54.41 2qae h ALA 82 Cb 0.06 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2qae h ALA 82 CO -0.00 0.32 -0.45 0.87 0.00 0.00 0.00 179.25 179.99 2qae h LYS 83 N 0.26 0.31 -0.08 0.00 1.57 -1.82 -1.40 116.57 115.41 2qae h LYS 83 Ca 0.03 -0.16 -0.00 0.00 -1.87 0.00 0.00 60.65 58.64 2qae h LYS 83 Cb 0.84 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.15 2qae h LYS 83 CO 0.06 0.70 0.04 1.98 -0.57 0.00 0.00 179.45 181.67 2qae h MET 84 N 0.26 0.12 -0.51 3.15 4.05 -0.97 -1.90 114.93 119.12 2qae h MET 84 Ca 0.02 -0.02 -0.04 0.00 -0.28 0.00 0.00 59.70 59.39 2qae h MET 84 Cb 0.89 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.65 2qae h MET 84 CO 0.07 0.19 0.17 1.96 0.23 0.00 0.00 176.91 179.53 2qae h GLN 85 N 0.01 0.75 -0.71 0.39 1.08 -1.14 -2.38 115.11 113.11 2qae h GLN 85 Ca 0.03 -0.12 -0.05 0.00 -1.45 0.00 0.00 58.65 57.05 2qae h GLN 85 Cb 0.11 -0.13 -0.03 0.00 -0.05 0.00 0.00 27.48 27.39 2qae h GLN 85 CO -0.00 0.65 0.23 0.37 -0.95 0.00 0.00 178.83 179.12 2qae h GLN 86 N 0.73 1.08 -0.48 1.46 4.15 -0.98 -0.83 115.11 120.25 2qae h GLN 86 Ca 0.17 -0.22 -0.13 0.00 0.77 0.00 0.00 58.65 59.24 2qae h GLN 86 Cb 0.20 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.72 2qae h GLN 86 CO -0.01 0.91 -0.22 0.37 -1.93 0.00 0.00 178.83 177.96 2qae h GLN 87 N 1.04 0.98 -0.37 1.69 5.75 -1.05 -1.38 115.11 121.77 2qae h GLN 87 Ca 0.23 -0.42 0.02 0.00 -0.15 0.00 0.00 58.65 58.33 2qae h GLN 87 Cb 0.28 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 28.77 2qae h GLN 87 CO -0.01 1.09 0.21 -0.22 -2.65 0.00 0.00 178.83 177.25 2qae h LYS 88 N 0.85 0.41 -0.54 1.69 3.64 -1.05 -0.00 116.57 121.57 2qae h LYS 88 Ca 0.11 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.41 2qae h LYS 88 Cb 0.79 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.50 2qae h LYS 88 CO 0.07 0.27 0.11 0.93 -2.27 0.00 0.00 179.45 178.56 2qae h GLU 89 N 0.43 0.84 -0.38 1.90 5.08 -0.98 -1.19 114.58 120.28 2qae h GLU 89 Ca 0.15 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2qae h GLU 89 Cb 0.01 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 2qae h GLU 89 CO -0.07 0.77 0.24 -0.09 -1.00 0.00 0.00 179.01 178.86 2qae h ARG 90 N 0.81 0.52 -0.51 2.33 2.43 -0.58 0.26 114.38 119.64 2qae h ARG 90 Ca 0.17 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.27 2qae h ARG 90 Cb 0.33 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 2qae h ARG 90 CO 0.00 0.38 0.20 0.00 -1.51 0.00 0.00 179.97 179.04 2qae h ALA 91 N 1.11 0.66 -0.39 2.80 0.00 -0.51 -1.40 119.26 121.52 2qae h ALA 91 Ca 0.14 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2qae h ALA 91 Cb -0.01 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2qae h ALA 91 CO -0.03 0.27 0.24 0.28 0.00 0.00 0.00 179.25 180.02 2qae h VAL 92 N 0.68 1.12 -0.91 0.00 2.07 -0.90 -2.75 116.25 115.55 2qae h VAL 92 Ca 0.17 -0.25 0.02 0.00 0.82 0.00 0.00 66.70 67.46 2qae h VAL 92 Cb 0.20 0.59 -0.05 0.00 -1.52 0.00 0.00 31.29 30.50 2qae h VAL 92 CO -0.01 0.12 0.60 0.50 0.02 0.00 0.00 177.57 178.79 2qae h LYS 93 N 0.52 1.16 -0.73 1.57 1.63 -0.73 -0.90 116.57 119.08 2qae h LYS 93 Ca 0.14 -0.07 -0.03 0.00 -0.85 0.00 0.00 60.65 59.84 2qae h LYS 93 Cb -0.02 -0.26 -0.03 0.00 -0.60 0.00 0.00 32.23 31.31 2qae h LYS 93 CO -0.03 0.77 0.32 0.78 -3.45 0.00 0.00 179.45 177.84 2qae h GLY 94 N 1.20 1.14 1.03 5.01 0.00 -1.01 -1.72 103.07 108.72 2qae h GLY 94 Ca 0.35 -0.58 -0.23 0.00 0.00 0.00 0.00 47.33 46.87 2qae h GLY 94 CO -0.09 0.55 -0.91 1.41 0.00 0.00 0.00 176.54 177.50 2qae h LEU 95 N 1.05 0.75 -0.55 3.11 3.38 -1.13 -2.50 115.31 119.42 2qae h LEU 95 Ca 0.25 -0.77 -0.15 0.00 0.09 0.00 0.00 57.88 57.29 2qae h LEU 95 Cb 0.15 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2qae h LEU 95 CO -0.03 1.43 -0.49 0.71 0.09 0.00 0.00 178.44 180.16 2qae h THR 96 N 0.15 1.31 -0.32 0.22 1.35 -1.15 -2.40 112.91 112.06 2qae h THR 96 Ca -0.12 -1.70 -0.09 0.00 -0.55 0.00 0.00 66.41 63.95 2qae h THR 96 Cb 1.59 1.66 -0.02 0.00 -1.73 0.00 0.00 68.15 69.65 2qae h THR 96 CO 0.18 0.53 -0.18 1.23 -0.25 0.00 0.00 175.52 177.03 2qae h GLY 97 N 1.01 0.64 1.29 5.82 0.00 -1.40 -2.63 103.07 107.79 2qae h GLY 97 Ca 0.02 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 46.85 2qae h GLY 97 CO 0.10 0.45 0.37 -1.33 0.00 0.00 0.00 176.54 176.12 2qae h GLY 98 N 0.98 1.00 1.22 4.60 0.00 -1.03 -2.13 103.07 107.71 2qae h GLY 98 Ca 0.09 -0.44 -0.11 0.00 0.00 0.00 0.00 47.33 46.87 2qae h GLY 98 CO 0.04 0.43 -0.11 -2.08 0.00 0.00 0.00 176.54 174.82 2qae h VAL 99 N 0.94 1.26 -0.86 4.60 2.07 -1.07 -1.50 116.25 121.69 2qae h VAL 99 Ca 0.24 -1.23 0.02 0.00 0.82 0.00 0.00 66.70 66.55 2qae h VAL 99 Cb 0.03 1.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.76 2qae h VAL 99 CO -0.04 0.43 0.57 -0.33 0.02 0.00 0.00 177.57 178.22 2qae h GLU 100 N 0.82 1.11 -0.51 1.57 5.08 -1.23 -0.68 114.58 120.74 2qae h GLU 100 Ca 0.13 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.34 2qae h GLU 100 Cb 0.64 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 2qae h GLU 100 CO 0.04 0.73 -0.00 -0.92 -1.00 0.00 0.00 179.01 177.87 2qae h TYR 101 N 1.14 0.98 -0.36 4.33 3.20 -0.99 -1.78 116.97 123.49 2qae h TYR 101 Ca 0.32 -0.17 -0.02 0.00 3.14 0.00 0.00 58.73 62.00 2qae h TYR 101 Cb -0.10 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 37.90 2qae h TYR 101 CO -0.00 0.91 0.12 -0.07 -1.64 0.00 0.00 178.16 177.48 2qae h LEU 102 N 0.77 0.46 -0.34 2.82 3.38 -0.62 0.25 115.31 122.03 2qae h LEU 102 Ca 0.14 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 2qae h LEU 102 Cb 0.52 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 2qae h LEU 102 CO 0.03 0.44 0.06 -0.26 0.09 0.00 0.00 178.44 178.80 2qae h PHE 103 N 0.51 0.58 0.21 1.13 0.05 -0.67 -0.56 116.94 118.20 2qae h PHE 103 Ca 0.12 -0.08 -0.01 0.00 3.82 0.00 0.00 57.97 61.83 2qae h PHE 103 Cb 0.14 -0.16 0.00 0.00 2.00 0.00 0.00 35.95 37.93 2qae h PHE 103 CO 0.01 0.61 -0.10 -0.22 -0.18 0.00 0.00 178.31 178.43 2qae h LYS 104 N 0.39 -0.27 -0.90 1.51 3.64 -0.57 0.88 116.57 121.25 2qae h LYS 104 Ca 0.10 0.02 0.13 0.00 -1.27 0.00 0.00 60.65 59.63 2qae h LYS 104 Cb 0.34 0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 32.15 2qae h LYS 104 CO 0.00 -0.14 0.58 -0.22 -2.27 0.00 0.00 179.45 177.41 2qae h LYS 105 N -0.34 0.74 -0.06 1.90 3.64 -0.44 -1.81 116.57 120.21 2qae h LYS 105 Ca -0.03 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 2qae h LYS 105 Cb 0.26 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 2qae h LYS 105 CO 0.05 0.49 0.00 0.09 -2.27 0.00 0.00 179.45 177.81 2qae n ASN 106 N -4.56 2.24 -2.85 4.20 3.02 -0.23 -4.96 115.26 112.12 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 0.42 -0.02 0.06 0.00 -0.61 0.00 0.00 39.78 39.63 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 0.74 -6.03 -3.26 3.52 4.76 0.04 -4.73 118.16 113.21 2qae n LYS 107 Ca 0.17 0.63 -0.38 0.00 -2.87 0.00 0.00 58.31 55.85 2qae n LYS 107 Cb 0.47 -5.06 -0.06 0.00 -1.84 0.00 0.00 35.03 28.54 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 -3.24 5.03 -0.12 -0.18 1.01 0.08 -4.68 120.40 118.30 2qae s VAL 108 Ca 0.43 1.12 -0.24 0.00 0.00 0.00 0.00 61.98 63.30 2qae s VAL 108 Cb -0.19 -3.88 -0.03 0.00 0.00 0.00 0.00 36.38 32.28 2qae s VAL 108 CO 0.55 0.39 0.74 -0.89 0.00 0.00 0.00 175.10 175.89 2qae s THR 109 N 0.09 4.99 -0.27 3.92 2.01 -0.42 -4.58 115.64 121.38 2qae s THR 109 Ca 0.29 1.48 -0.07 0.00 0.31 0.00 0.00 61.69 63.70 2qae s THR 109 Cb -0.17 -4.06 -0.01 0.00 0.01 0.00 0.00 72.50 68.27 2qae s THR 109 CO 0.15 0.16 0.07 -0.47 -0.69 0.00 0.00 174.62 173.83 2qae s TYR 110 N 1.40 3.10 -0.20 4.92 5.04 -1.26 -0.53 117.35 129.82 2qae s TYR 110 Ca 0.37 -0.68 -0.07 0.00 -2.44 0.00 0.00 57.07 54.25 2qae s TYR 110 Cb -0.17 -2.24 -0.03 0.00 0.35 0.00 0.00 41.96 39.87 2qae s TYR 110 CO 0.15 -0.46 0.04 0.71 -1.34 0.00 0.00 175.55 174.66 2qae s TYR 111 N 1.56 3.16 -0.49 4.97 1.51 0.21 -4.98 117.35 123.29 2qae s TYR 111 Ca 0.05 -0.14 -0.18 0.00 -1.01 0.00 0.00 57.07 55.80 2qae s TYR 111 Cb -0.16 -2.10 0.06 0.00 -0.11 0.00 0.00 41.96 39.65 2qae s TYR 111 CO 0.03 -0.03 0.53 0.15 -1.11 0.00 0.00 175.55 175.12 2qae s LYS 112 N 0.72 3.07 0.00 -0.62 1.02 -1.26 -1.38 119.74 121.29 2qae s LYS 112 Ca 0.02 -1.06 0.00 0.00 0.02 0.00 0.00 55.97 54.96 2qae s LYS 112 Cb -0.14 -4.10 0.00 0.00 -0.52 0.00 0.00 37.83 33.07 2qae s LYS 112 CO 0.02 -1.13 0.00 0.41 -0.92 0.00 0.00 175.35 173.73 2qae n GLY 113 N 5.18 -2.01 3.75 -3.33 0.00 -0.31 -1.94 105.19 106.52 2qae n GLY 113 Ca -0.09 -1.18 -0.37 0.00 0.00 0.00 0.00 46.02 44.38 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 -1.79 4.20 -0.03 1.61 2.12 -0.81 -1.99 118.70 122.02 2qae s GLU 114 Ca 0.00 0.22 -0.08 0.00 0.36 0.00 0.00 54.97 55.47 2qae s GLU 114 Cb 0.00 -3.39 -0.05 0.00 0.26 0.00 0.00 34.13 30.95 2qae s GLU 114 CO 0.00 0.30 0.25 0.20 -0.54 0.00 0.00 175.26 175.47 2qae s GLY 115 N 0.23 2.25 -0.02 -1.50 0.00 -1.26 -0.72 107.32 106.31 2qae s GLY 115 Ca 0.20 -0.55 -0.05 0.00 0.00 0.00 0.00 44.72 44.32 2qae s GLY 115 CO 0.07 -0.33 0.11 -0.45 0.00 0.00 0.00 173.10 172.50 2qae s SER 116 N -1.46 -0.04 0.11 1.64 0.15 0.41 -4.52 113.70 110.00 2qae s SER 116 Ca 0.24 0.02 -0.30 0.00 0.70 0.00 0.00 55.95 56.61 2qae s SER 116 Cb -0.13 0.22 -0.06 0.00 -1.71 0.00 0.00 66.02 64.34 2qae s SER 116 CO 0.13 -0.17 0.94 -0.36 1.20 0.00 0.00 173.24 174.98 2qae s PHE 117 N -0.57 3.82 -0.23 3.44 0.08 -0.16 -0.19 117.98 124.17 2qae s PHE 117 Ca -0.06 1.78 -0.13 0.00 0.12 0.00 0.00 56.93 58.64 2qae s PHE 117 Cb -0.04 -3.03 -0.10 0.00 -0.57 0.00 0.00 43.02 39.28 2qae s PHE 117 CO 0.00 0.23 -0.31 -1.91 -0.10 0.00 0.00 175.22 173.13 2qae n GLU 118 N 2.69 0.51 -4.27 0.44 4.07 0.48 -4.78 120.64 119.78 2qae n GLU 118 Ca 0.02 0.22 -0.19 0.00 -0.06 0.00 0.00 57.16 57.15 2qae n GLU 118 Cb 0.49 -1.36 -0.08 0.00 -0.06 0.00 0.00 31.44 30.43 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 -2.48 0.00 -0.30 6.31 -4.23 -1.00 -4.90 115.64 109.03 2qae s THR 119 Ca -0.33 -1.99 0.24 0.00 -1.18 0.00 0.00 61.69 58.43 2qae s THR 119 Cb 0.12 -2.50 0.26 0.00 1.34 0.00 0.00 72.50 71.71 2qae s THR 119 CO 0.42 0.00 1.74 0.00 -0.54 0.00 0.00 174.62 176.24 2qae h ALA 120 N 2.16 1.00 0.00 3.99 0.00 -1.95 -2.89 119.26 121.57 2qae h ALA 120 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2qae h ALA 120 Cb 1.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2qae h ALA 120 CO 0.37 0.00 0.00 0.72 0.00 0.00 0.00 179.25 180.34 2qae n HIS 121 N -2.34 0.00 -3.97 0.00 8.25 -1.26 -4.81 115.22 111.09 2qae n HIS 121 Ca 0.01 -0.39 -0.18 0.00 -0.26 0.00 0.00 57.72 56.89 2qae n HIS 121 Cb 0.16 -0.04 -0.16 0.00 1.12 0.00 0.00 29.99 31.07 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 -0.79 0.68 -0.12 0.41 1.04 -1.09 -1.95 113.70 111.88 2qae s SER 122 Ca 0.00 -0.05 0.03 0.00 0.48 0.00 0.00 55.95 56.40 2qae s SER 122 Cb 0.00 -0.30 0.00 0.00 0.10 0.00 0.00 66.02 65.82 2qae s SER 122 CO 0.00 -0.10 -0.21 -0.63 0.98 0.00 0.00 173.24 173.28 2qae s ILE 123 N 1.10 2.27 -0.08 -1.02 1.01 -0.42 -0.39 121.20 123.66 2qae s ILE 123 Ca -0.09 -0.93 -0.18 0.00 0.00 0.00 0.00 60.65 59.45 2qae s ILE 123 Cb -0.14 -1.90 -0.05 0.00 0.01 0.00 0.00 42.46 40.39 2qae s ILE 123 CO -0.02 0.55 0.49 -0.60 0.00 0.00 0.00 174.94 175.36 2qae s ARG 124 N 0.53 4.29 -0.24 2.79 3.52 0.74 -0.07 118.95 130.50 2qae s ARG 124 Ca -0.13 0.50 -0.03 0.00 -0.13 0.00 0.00 55.73 55.93 2qae s ARG 124 Cb -0.17 -3.39 0.01 0.00 -1.56 0.00 0.00 34.95 29.84 2qae s ARG 124 CO 0.04 0.26 -0.03 0.08 -0.81 0.00 0.00 175.30 174.84 2qae s VAL 125 N 0.29 3.24 -0.74 7.11 1.01 0.64 -0.45 120.40 131.49 2qae s VAL 125 Ca 0.27 -0.76 -0.18 0.00 0.00 0.00 0.00 61.98 61.30 2qae s VAL 125 Cb -0.16 -2.58 0.13 0.00 0.00 0.00 0.00 36.38 33.78 2qae s VAL 125 CO 0.12 0.27 0.86 0.21 0.00 0.00 0.00 175.10 176.55 2qae s ASN 126 N 1.41 6.44 0.63 3.32 3.04 0.10 -1.59 114.94 128.29 2qae s ASN 126 Ca 0.03 -1.85 -0.18 0.00 0.04 0.00 0.00 52.86 50.90 2qae s ASN 126 Cb -0.16 -2.32 -0.04 0.00 -1.54 0.00 0.00 41.25 37.20 2qae s ASN 126 CO -0.03 -1.00 0.99 0.61 -3.04 0.00 0.00 177.10 174.63 2qae n GLY 127 N 5.07 -0.26 0.24 1.21 0.00 -0.01 -1.92 105.19 109.53 2qae n GLY 127 Ca 0.05 -0.17 0.09 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 0.37 0.00 -1.13 0.99 3.38 -1.69 -1.82 115.31 115.40 2qae h LEU 128 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.48 2qae h LEU 128 Cb 1.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.11 2qae h LEU 128 CO 0.50 0.18 0.00 -0.90 0.09 0.00 0.00 178.44 178.31 2qae n ASP 129 N -3.89 1.55 0.00 -0.43 5.68 -1.26 -4.90 116.55 113.29 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 0.27 -0.33 0.00 0.00 -1.14 0.00 0.00 41.12 39.92 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 0.48 2.88 3.75 6.12 0.00 -0.68 -5.02 105.19 112.72 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 4.66 0.04 1.61 -2.85 -1.26 -4.69 119.74 117.11 2qae s LYS 131 Ca 0.00 1.75 0.01 0.00 -1.00 0.00 0.00 55.97 56.73 2qae s LYS 131 Cb 0.00 -3.22 -0.04 0.00 -2.06 0.00 0.00 37.83 32.51 2qae s LYS 131 CO 0.00 0.23 0.13 -0.65 0.10 0.00 0.00 175.35 175.15 2qae s GLN 132 N -1.21 3.13 0.05 1.78 -0.21 -1.26 -0.83 119.66 121.12 2qae s GLN 132 Ca 0.45 -0.53 -0.08 0.00 0.02 0.00 0.00 55.36 55.22 2qae s GLN 132 Cb -0.31 -2.88 -0.00 0.00 1.00 0.00 0.00 33.01 30.82 2qae s GLN 132 CO 0.39 0.61 0.15 -1.21 -2.12 0.00 0.00 175.29 173.11 2qae s GLU 133 N -2.21 0.70 -0.13 2.91 2.02 -0.62 -4.98 118.70 116.38 2qae s GLU 133 Ca 0.29 -0.79 0.02 0.00 0.02 0.00 0.00 54.97 54.51 2qae s GLU 133 Cb -0.12 0.28 0.01 0.00 0.10 0.00 0.00 34.13 34.39 2qae s GLU 133 CO 0.21 -0.20 -0.21 1.41 0.02 0.00 0.00 175.26 176.49 2qae s MET 134 N -3.02 3.07 -0.10 1.61 1.75 -1.26 -0.26 119.30 121.10 2qae s MET 134 Ca -0.02 -0.84 -0.04 0.00 -1.25 0.00 0.00 55.69 53.55 2qae s MET 134 Cb 0.01 -2.44 -0.04 0.00 2.84 0.00 0.00 34.83 35.20 2qae s MET 134 CO -0.06 0.04 0.06 -0.51 -0.65 0.00 0.00 175.02 173.89 2qae s LEU 135 N 0.70 3.90 -0.06 4.11 1.02 0.89 -4.62 118.68 124.62 2qae s LEU 135 Ca -0.09 0.27 0.04 0.00 0.02 0.00 0.00 54.13 54.36 2qae s LEU 135 Cb -0.16 -1.93 -0.02 0.00 0.02 0.00 0.00 46.19 44.10 2qae s LEU 135 CO 0.01 0.39 -0.16 -1.61 0.02 0.00 0.00 176.35 175.00 2qae s GLU 136 N -0.96 2.59 0.17 1.70 2.02 -1.26 -1.31 118.70 121.64 2qae s GLU 136 Ca 0.14 -0.73 -0.12 0.00 0.02 0.00 0.00 54.97 54.29 2qae s GLU 136 Cb -0.12 -2.37 0.00 0.00 0.10 0.00 0.00 34.13 31.75 2qae s GLU 136 CO 0.03 0.55 0.35 -0.08 0.02 0.00 0.00 175.26 176.13 2qae s THR 137 N -0.55 0.06 -0.05 3.63 -1.32 -0.82 -0.67 115.64 115.92 2qae s THR 137 Ca 0.08 -1.17 0.04 0.00 -1.21 0.00 0.00 61.69 59.42 2qae s THR 137 Cb -0.11 -1.70 -0.25 0.00 -1.51 0.00 0.00 72.50 68.93 2qae s THR 137 CO 0.01 -0.28 0.64 0.11 -2.21 0.00 0.00 174.62 172.90 2qae h LYS 138 N 2.46 0.13 -3.96 7.08 1.57 -1.26 -3.44 116.57 119.14 2qae h LYS 138 Ca -0.31 -0.22 -0.16 0.00 -1.87 0.00 0.00 60.65 58.09 2qae h LYS 138 Cb 1.24 0.08 -0.20 0.00 0.08 0.00 0.00 32.23 33.43 2qae h LYS 138 CO 0.46 0.85 -0.67 0.15 -0.57 0.00 0.00 179.45 179.67 2qae s LYS 139 N -2.60 0.38 -0.02 3.15 -0.14 -0.72 -4.87 119.74 114.93 2qae s LYS 139 Ca -0.10 -0.68 0.02 0.00 -1.36 0.00 0.00 55.97 53.85 2qae s LYS 139 Cb 0.07 0.14 0.00 0.00 -1.68 0.00 0.00 37.83 36.36 2qae s LYS 139 CO 0.81 -0.07 -0.07 0.99 -0.76 0.00 0.00 175.35 176.25 2qae s THR 140 N -1.83 0.62 -0.19 2.17 2.01 -0.58 -1.37 115.64 116.46 2qae s THR 140 Ca -0.12 -0.29 -0.02 0.00 0.31 0.00 0.00 61.69 61.57 2qae s THR 140 Cb -0.07 -0.55 -0.01 0.00 0.01 0.00 0.00 72.50 71.88 2qae s THR 140 CO -0.02 0.20 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.38 2qae s ILE 141 N 0.13 3.11 -0.23 1.82 1.01 0.25 -0.42 121.20 126.87 2qae s ILE 141 Ca -0.02 -0.60 -0.21 0.00 0.00 0.00 0.00 60.65 59.83 2qae s ILE 141 Cb -0.07 -2.37 -0.02 0.00 0.01 0.00 0.00 42.46 40.01 2qae s ILE 141 CO 0.00 0.47 0.64 -0.63 0.00 0.00 0.00 174.94 175.42 2qae s ILE 142 N 1.08 4.99 -0.33 2.92 1.01 0.13 -1.00 121.20 130.00 2qae s ILE 142 Ca 0.00 1.18 0.17 0.00 0.00 0.00 0.00 60.65 62.00 2qae s ILE 142 Cb -0.15 -3.95 0.44 0.00 0.01 0.00 0.00 42.46 38.82 2qae s ILE 142 CO -0.02 0.05 0.91 0.00 0.00 0.00 0.00 174.94 175.89 2qae n ALA 143 N 5.49 3.19 1.62 9.38 0.00 0.42 -1.50 120.51 139.11 2qae n ALA 143 Ca -0.00 -3.19 0.15 0.00 0.00 0.00 0.00 53.44 50.40 2qae n ALA 143 Cb 0.49 -0.93 0.76 0.00 0.00 0.00 0.00 19.45 19.77 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 -0.00 0.00 -4.54 0.00 -2.24 -1.20 -4.24 114.28 102.06 2qae n THR 144 Ca 0.12 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 2qae n THR 144 Cb 0.79 -0.30 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 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 1.18 1.46 3.38 3.38 0.00 -1.26 -4.60 105.19 108.72 2qae n GLY 145 Ca 0.18 -0.68 -0.17 0.00 0.00 0.00 0.00 46.02 45.36 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 1.25 0.11 1.61 1.04 -1.26 -0.07 113.70 112.38 2qae s SER 146 Ca 0.00 -1.61 -0.09 0.00 0.48 0.00 0.00 55.95 54.72 2qae s SER 146 Cb 0.00 0.60 -0.00 0.00 0.10 0.00 0.00 66.02 66.72 2qae s SER 146 CO 0.00 -1.17 0.23 -1.83 0.98 0.00 0.00 173.24 171.46 2qae s GLU 147 N -3.29 0.95 0.38 4.02 -1.05 -0.19 -4.76 118.70 114.77 2qae s GLU 147 Ca 0.36 -1.01 -0.27 0.00 -0.15 0.00 0.00 54.97 53.90 2qae s GLU 147 Cb 0.01 0.36 -0.09 0.00 -0.44 0.00 0.00 34.13 33.97 2qae s GLU 147 CO 0.23 -0.32 1.30 -2.14 0.95 0.00 0.00 175.26 175.28 2qae s PRO 148 N -3.89 4.11 -0.01 -4.83 0.02 -1.26 -0.74 135.00 128.40 2qae s PRO 148 Ca 0.08 2.17 -0.30 0.00 0.02 0.00 0.00 61.00 62.97 2qae s PRO 148 Cb 0.04 -2.86 -0.03 0.00 0.02 0.00 0.00 34.50 31.67 2qae s PRO 148 CO -0.08 -0.38 1.05 0.99 -0.33 0.00 0.00 177.00 178.26 2qae s THR 149 N -1.23 4.61 0.16 0.99 2.01 -0.61 -4.75 115.64 116.83 2qae s THR 149 Ca 0.54 1.88 -0.07 0.00 0.31 0.00 0.00 61.69 64.35 2qae s THR 149 Cb -0.38 -4.21 -0.06 0.00 0.01 0.00 0.00 72.50 67.86 2qae s THR 149 CO 0.50 0.11 0.44 -0.70 -0.69 0.00 0.00 174.62 174.28 2qae s GLU 150 N 1.30 3.71 -0.21 4.92 2.12 -1.26 -4.70 118.70 124.58 2qae s GLU 150 Ca 0.53 0.09 -0.22 0.00 0.36 0.00 0.00 54.97 55.73 2qae s GLU 150 Cb -0.23 -2.81 -0.02 0.00 0.26 0.00 0.00 34.13 31.33 2qae s GLU 150 CO 0.26 0.43 0.70 -0.51 -0.54 0.00 0.00 175.26 175.60 2qae s LEU 151 N -2.57 4.13 0.49 2.70 1.43 -1.26 -4.96 118.68 118.65 2qae s LEU 151 Ca 0.42 0.91 0.19 0.00 -1.03 0.00 0.00 54.13 54.61 2qae s LEU 151 Cb -0.12 -3.00 1.22 0.00 0.03 0.00 0.00 46.19 44.33 2qae s LEU 151 CO 0.22 -0.35 2.03 -0.65 0.23 0.00 0.00 176.35 177.83 2qae h PRO 152 N 7.55 0.15 -0.01 1.29 0.11 -2.01 -1.87 132.00 137.21 2qae h PRO 152 Ca -0.29 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.81 2qae h PRO 152 Cb 1.13 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2qae h PRO 152 CO 0.80 0.10 -0.12 1.97 -0.21 0.00 0.00 178.00 180.54 2qae n PHE 153 N -4.45 0.00 -3.15 0.65 -1.74 -1.26 -4.42 117.46 103.09 2qae n PHE 153 Ca 0.07 0.00 -0.21 0.00 -0.56 0.00 0.00 57.45 56.75 2qae n PHE 153 Cb 0.39 -0.04 -0.06 0.00 1.52 0.00 0.00 39.48 41.29 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 0.01 -0.90 -4.73 5.98 4.77 -0.71 -4.77 117.00 116.64 2qae n LEU 154 Ca 0.16 -4.19 -0.37 0.00 -0.03 0.00 0.00 56.01 51.58 2qae n LEU 154 Cb 0.39 0.65 0.06 0.00 -2.33 0.00 0.00 43.42 42.19 2qae n LEU 154 CO 0.20 1.97 0.91 -2.84 -1.33 0.00 0.00 177.39 176.30 2qae s PRO 155 N -0.25 2.64 0.31 3.23 0.02 -1.20 -4.28 135.00 135.47 2qae s PRO 155 Ca 0.33 2.07 -0.29 0.00 0.02 0.00 0.00 61.00 63.13 2qae s PRO 155 Cb 0.11 -1.89 -0.10 0.00 0.02 0.00 0.00 34.50 32.64 2qae s PRO 155 CO -0.15 -1.53 1.35 -0.06 -0.33 0.00 0.00 177.00 176.27 2qae s PHE 156 N -1.40 3.03 0.00 6.54 0.08 -1.26 -4.81 117.98 120.15 2qae s PHE 156 Ca 0.81 1.30 0.00 0.00 0.12 0.00 0.00 56.93 59.17 2qae s PHE 156 Cb -0.37 -3.73 0.00 0.00 -0.57 0.00 0.00 43.02 38.35 2qae s PHE 156 CO 0.40 -2.10 0.25 -0.40 -0.10 0.00 0.00 175.22 173.26 2qae n ASP 157 N 1.22 0.50 -1.82 1.36 3.85 -0.41 -5.00 116.55 116.25 2qae n ASP 157 Ca 0.02 -0.78 -0.18 0.00 -0.71 0.00 0.00 54.79 53.14 2qae n ASP 157 Cb 0.41 0.27 -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 -0.27 -1.56 0.02 0.11 -0.58 -0.24 -4.74 120.64 113.38 2qae n GLU 158 Ca 0.00 0.98 -0.00 0.00 -0.42 0.00 0.00 57.16 57.71 2qae n GLU 158 Cb 0.04 -5.41 -0.00 0.00 -0.57 0.00 0.00 31.44 25.50 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 -2.43 0.01 0.00 3.49 5.02 -1.26 -4.89 118.16 118.10 2qae n LYS 159 Ca -0.19 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.11 2qae n LYS 159 Cb 0.61 -0.51 0.00 0.00 -0.02 0.00 0.00 35.03 35.11 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 -3.24 0.00 -3.57 -0.18 0.24 -1.26 -4.89 118.33 105.42 2qae n VAL 160 Ca -0.00 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 61.89 2qae n VAL 160 Cb 0.27 -0.62 -0.10 0.00 -1.47 0.00 0.00 33.84 31.93 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 -1.83 4.38 0.07 3.34 1.01 -1.26 -0.28 120.40 125.83 2qae s VAL 161 Ca 0.00 -1.37 0.04 0.00 0.00 0.00 0.00 61.98 60.65 2qae s VAL 161 Cb 0.00 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 2qae s VAL 161 CO 0.00 -0.53 0.02 -0.76 0.00 0.00 0.00 175.10 173.83 2qae s LEU 162 N 1.45 3.54 0.00 3.92 1.43 0.28 -1.07 118.68 128.23 2qae s LEU 162 Ca 0.03 -0.10 0.06 0.00 -1.03 0.00 0.00 54.13 53.09 2qae s LEU 162 Cb -0.23 -2.21 0.06 0.00 0.03 0.00 0.00 46.19 43.84 2qae s LEU 162 CO 0.03 0.20 0.46 -1.54 0.23 0.00 0.00 176.35 175.73 2qae n SER 163 N 0.75 1.44 0.26 2.29 3.41 -1.26 -1.32 113.62 119.19 2qae n SER 163 Ca -0.11 -1.99 0.09 0.00 -0.26 0.00 0.00 58.87 56.60 2qae n SER 163 Cb 0.52 -0.23 0.68 0.00 -0.26 0.00 0.00 64.21 64.92 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 0.11 0.00 -0.16 4.04 4.64 -1.95 -1.69 113.55 118.54 2qae h SER 164 Ca -0.18 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.13 2qae h SER 164 Cb 0.78 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.86 2qae h SER 164 CO 0.26 0.01 0.03 0.74 -0.87 0.00 0.00 176.83 177.00 2qae h THR 165 N 0.00 1.21 -0.26 2.95 2.02 -1.93 -1.76 112.91 115.13 2qae h THR 165 Ca -0.00 -0.67 -0.09 0.00 0.77 0.00 0.00 66.41 66.42 2qae h THR 165 Cb 0.02 1.36 -0.01 0.00 -1.74 0.00 0.00 68.15 67.77 2qae h THR 165 CO 0.00 0.20 -0.21 1.23 0.37 0.00 0.00 175.52 177.11 2qae h GLY 166 N 0.05 0.52 2.00 2.16 0.00 -1.76 -2.85 103.07 103.20 2qae h GLY 166 Ca 0.05 -0.40 -0.11 0.00 0.00 0.00 0.00 47.33 46.87 2qae h GLY 166 CO 0.00 0.37 -0.52 0.00 0.00 0.00 0.00 176.54 176.39 2qae h ALA 167 N 1.35 1.08 0.00 3.60 0.00 -1.17 -2.64 119.26 121.48 2qae h ALA 167 Ca 0.07 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 2qae h ALA 167 Cb 0.61 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 2qae h ALA 167 CO 0.04 0.65 -0.01 -0.07 0.00 0.00 0.00 179.25 179.87 2qae h LEU 168 N 0.00 0.00 -2.66 0.00 3.38 -1.09 -3.31 115.31 111.63 2qae h LEU 168 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2qae h LEU 168 Cb 0.95 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.70 2qae h LEU 168 CO 0.07 0.01 0.00 0.00 0.09 0.00 0.00 178.44 178.60 2qae n ALA 169 N -2.10 2.29 -1.65 1.53 0.00 -1.01 -5.01 120.51 114.57 2qae n ALA 169 Ca 0.02 -1.14 -0.46 0.00 0.00 0.00 0.00 53.44 51.86 2qae n ALA 169 Cb 0.41 -0.64 -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 1.02 2.78 0.10 0.00 4.77 -1.13 -4.87 117.00 119.67 2qae n LEU 170 Ca 0.16 1.12 0.13 0.00 -0.03 0.00 0.00 56.01 57.39 2qae n LEU 170 Cb 0.50 -1.38 0.38 0.00 -2.33 0.00 0.00 43.42 40.59 2qae n LEU 170 CO 0.12 -0.55 0.83 -0.81 -1.33 0.00 0.00 177.39 175.64 2qae n PRO 171 N 2.60 0.27 -3.71 3.23 -0.04 -1.26 -4.89 135.00 131.20 2qae n PRO 171 Ca 0.15 0.20 -0.10 0.00 -0.04 0.00 0.00 63.50 63.71 2qae n PRO 171 Cb 0.28 -1.80 -0.06 0.00 -0.04 0.00 0.00 33.50 31.89 2qae n PRO 171 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 2qae s ARG 172 N -3.11 0.97 -0.04 0.54 1.70 -1.26 -4.55 118.95 113.20 2qae s ARG 172 Ca 0.10 -0.74 -0.30 0.00 -0.47 0.00 0.00 55.73 54.32 2qae s ARG 172 Cb 0.12 0.42 -0.05 0.00 -0.57 0.00 0.00 34.95 34.87 2qae s ARG 172 CO 0.61 -0.35 1.42 0.08 -1.08 0.00 0.00 175.30 175.98 2qae s VAL 173 N -3.62 3.80 0.56 4.99 1.01 -1.26 -4.99 120.40 120.89 2qae s VAL 173 Ca 0.02 1.11 -0.18 0.00 0.00 0.00 0.00 61.98 62.94 2qae s VAL 173 Cb 0.02 -3.72 -0.05 0.00 0.00 0.00 0.00 36.38 32.64 2qae s VAL 173 CO -0.10 -0.04 1.07 -2.16 0.00 0.00 0.00 175.10 173.87 2qae s PRO 174 N 2.92 3.40 0.11 2.72 0.04 -1.26 -4.94 135.00 137.99 2qae s PRO 174 Ca 0.64 1.33 -0.13 0.00 0.04 0.00 0.00 61.00 62.88 2qae s PRO 174 Cb -0.30 -2.04 -0.10 0.00 0.04 0.00 0.00 34.50 32.11 2qae s PRO 174 CO 0.25 -0.76 1.39 0.87 0.04 0.00 0.00 177.00 178.79 2qae h LYS 175 N 0.83 0.82 -4.41 4.56 1.57 -1.94 -3.36 116.57 114.64 2qae h LYS 175 Ca -0.48 -0.51 -0.28 0.00 -1.87 0.00 0.00 60.65 57.51 2qae h LYS 175 Cb 1.23 0.06 -0.24 0.00 0.08 0.00 0.00 32.23 33.36 2qae h LYS 175 CO 0.57 1.14 -0.74 0.95 -0.57 0.00 0.00 179.45 180.81 2qae s THR 176 N -4.15 0.45 -0.12 -0.16 -4.23 -1.26 -1.63 115.64 104.54 2qae s THR 176 Ca -0.11 -0.78 -0.08 0.00 -1.18 0.00 0.00 61.69 59.54 2qae s THR 176 Cb 0.09 -0.48 0.04 0.00 1.34 0.00 0.00 72.50 73.49 2qae s THR 176 CO 0.87 -0.23 0.30 -0.32 -0.54 0.00 0.00 174.62 174.70 2qae s MET 177 N -1.09 0.31 -0.06 3.99 1.75 0.04 -2.63 119.30 121.62 2qae s MET 177 Ca -0.07 0.53 0.02 0.00 -1.25 0.00 0.00 55.69 54.92 2qae s MET 177 Cb -0.07 0.03 -0.03 0.00 2.84 0.00 0.00 34.83 37.60 2qae s MET 177 CO 0.00 -0.11 -0.09 0.08 -0.65 0.00 0.00 175.02 174.25 2qae s VAL 178 N 0.78 3.49 -0.18 10.11 1.01 -0.82 -1.28 120.40 133.52 2qae s VAL 178 Ca -0.05 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.35 2qae s VAL 178 Cb -0.06 -2.42 0.02 0.00 0.00 0.00 0.00 36.38 33.92 2qae s VAL 178 CO -0.05 0.58 -0.20 -0.69 0.00 0.00 0.00 175.10 174.74 2qae s VAL 179 N -0.80 2.12 -0.36 2.92 1.01 0.60 -0.99 120.40 124.91 2qae s VAL 179 Ca 0.12 -0.92 -0.16 0.00 0.00 0.00 0.00 61.98 61.02 2qae s VAL 179 Cb -0.11 -1.89 -0.00 0.00 0.00 0.00 0.00 36.38 34.38 2qae s VAL 179 CO 0.02 0.54 0.42 -0.63 0.00 0.00 0.00 175.10 175.44 2qae s ILE 180 N 1.22 5.11 0.00 2.22 1.01 0.02 -0.26 121.20 130.51 2qae s ILE 180 Ca 0.03 0.09 0.00 0.00 0.00 0.00 0.00 60.65 60.77 2qae s ILE 180 Cb -0.13 -3.90 0.00 0.00 0.01 0.00 0.00 42.46 38.44 2qae s ILE 180 CO -0.11 -0.18 0.00 0.61 0.00 0.00 0.00 174.94 175.27 2qae n GLY 181 N 4.93 1.68 2.15 6.18 0.00 0.45 -0.83 105.19 119.75 2qae n GLY 181 Ca -0.07 -0.85 -0.21 0.00 0.00 0.00 0.00 46.02 44.89 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 0.79 4.15 0.58 -0.02 0.00 -1.26 -4.28 105.19 105.15 2qae n GLY 182 Ca 0.00 -1.43 -0.03 0.00 0.00 0.00 0.00 46.02 44.56 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 0.69 1.07 0.19 -0.02 0.00 -1.26 -0.61 105.19 105.24 2qae n GLY 183 Ca 0.38 -2.01 -0.03 0.00 0.00 0.00 0.00 46.02 44.36 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 -0.30 0.70 -0.42 1.61 2.07 -1.96 -1.27 116.25 116.69 2qae h VAL 184 Ca -0.05 -0.06 -0.05 0.00 0.82 0.00 0.00 66.70 67.36 2qae h VAL 184 Cb 0.18 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 2qae h VAL 184 CO 0.05 0.03 0.06 0.40 0.02 0.00 0.00 177.57 178.14 2qae h ILE 185 N 0.17 1.25 -0.59 4.57 2.04 -1.92 -1.50 117.51 121.53 2qae h ILE 185 Ca 0.23 -0.90 -0.01 0.00 1.00 0.00 0.00 64.86 65.17 2qae h ILE 185 Cb 0.32 1.02 -0.03 0.00 -0.74 0.00 0.00 36.82 37.38 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 0.55 0.89 1.04 5.37 0.00 -1.67 -0.60 103.07 108.65 2qae h GLY 186 Ca 0.13 -0.42 -0.09 0.00 0.00 0.00 0.00 47.33 46.95 2qae h GLY 186 CO 0.01 0.40 -0.03 1.41 0.00 0.00 0.00 176.54 178.32 2qae h LEU 187 N 0.80 0.94 -0.01 3.11 3.38 -1.15 0.39 115.31 122.77 2qae h LEU 187 Ca 0.21 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 2qae h LEU 187 Cb 0.07 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 2qae h LEU 187 CO -0.03 1.04 -0.00 -0.33 0.09 0.00 0.00 178.44 179.20 2qae h GLU 188 N 0.82 0.03 -0.34 1.13 5.08 -1.14 -1.33 114.58 118.83 2qae h GLU 188 Ca 0.14 -0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.40 2qae h GLU 188 Cb 0.58 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 2qae h GLU 188 CO 0.03 0.39 -0.20 -0.07 -1.00 0.00 0.00 179.01 178.17 2qae h LEU 189 N -0.34 0.63 -0.92 1.33 4.07 -1.09 -1.84 115.31 117.15 2qae h LEU 189 Ca 0.00 -0.21 -0.07 0.00 0.08 0.00 0.00 57.88 57.68 2qae h LEU 189 Cb 0.38 -0.17 -0.02 0.00 1.08 0.00 0.00 40.66 41.93 2qae h LEU 189 CO 0.00 0.83 -0.02 1.23 -1.08 0.00 0.00 178.44 179.41 2qae h GLY 190 N 0.99 0.83 1.03 0.83 0.00 -0.20 -2.95 103.07 103.60 2qae h GLY 190 Ca 0.09 -0.56 -0.04 0.00 0.00 0.00 0.00 47.33 46.81 2qae h GLY 190 CO 0.05 0.52 0.27 1.76 0.00 0.00 0.00 176.54 179.14 2qae h SER 191 N 0.72 1.00 0.11 0.19 0.02 -0.60 -0.60 113.55 114.38 2qae h SER 191 Ca 0.14 -0.18 0.02 0.00 -0.84 0.00 0.00 61.79 60.93 2qae h SER 191 Cb 0.46 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 62.70 2qae h SER 191 CO 0.02 0.91 -0.34 0.58 -1.14 0.00 0.00 176.83 176.86 2qae h VAL 192 N 1.03 0.29 -0.02 2.27 2.07 -1.18 -1.56 116.25 119.14 2qae h VAL 192 Ca 0.24 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 67.60 2qae h VAL 192 Cb 0.23 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.28 2qae h VAL 192 CO -0.02 0.00 -0.70 -0.50 0.02 0.00 0.00 177.57 176.38 2qae h TRP 193 N -0.56 0.17 -0.61 1.57 4.06 -1.48 -3.09 115.95 116.02 2qae h TRP 193 Ca 0.03 -0.08 -0.04 0.00 2.06 0.00 0.00 58.89 60.86 2qae h TRP 193 Cb 0.59 -0.03 -0.03 0.00 -1.00 0.00 0.00 29.16 28.70 2qae h TRP 193 CO -0.30 0.78 0.21 0.00 -3.56 0.00 0.00 178.44 175.57 2qae h ALA 194 N 1.20 1.23 -0.04 1.49 0.00 -0.95 -1.37 119.26 120.82 2qae h ALA 194 Ca -0.01 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 2qae h ALA 194 Cb 1.23 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 2qae h ALA 194 CO 0.10 0.55 -0.11 0.00 0.00 0.00 0.00 179.25 179.80 2qae h ARG 195 N 0.89 0.05 -0.13 0.00 3.08 -1.20 -2.13 114.38 114.95 2qae h ARG 195 Ca 0.20 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.25 2qae h ARG 195 Cb 0.22 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.26 2qae h ARG 195 CO -0.01 0.17 0.00 1.28 -1.07 0.00 0.00 179.97 180.33 2qae n LEU 196 N -4.38 1.62 0.00 3.04 4.77 -0.97 -4.78 117.00 116.30 2qae n LEU 196 Ca -0.02 -0.64 0.00 0.00 -0.03 0.00 0.00 56.01 55.31 2qae n LEU 196 Cb 0.20 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 2qae n LEU 196 CO 0.36 0.32 0.00 0.61 -1.33 0.00 0.00 177.39 177.35 2qae n GLY 197 N 1.14 1.89 3.77 -0.72 0.00 -0.80 -5.00 105.19 105.47 2qae n GLY 197 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.89 3.14 -0.40 4.61 0.00 -0.56 -4.95 121.76 121.71 2qae s ALA 198 Ca 0.00 1.06 -0.25 0.00 0.00 0.00 0.00 51.96 52.77 2qae s ALA 198 Cb 0.00 -3.42 0.02 0.00 0.00 0.00 0.00 23.12 19.72 2qae s ALA 198 CO 0.00 -0.68 0.88 -1.21 0.00 0.00 0.00 175.76 174.75 2qae s GLU 199 N -2.37 3.70 -0.13 0.00 2.02 -0.64 -4.25 118.70 117.02 2qae s GLU 199 Ca 0.59 0.35 -0.03 0.00 0.02 0.00 0.00 54.97 55.90 2qae s GLU 199 Cb -0.33 -3.85 -0.03 0.00 0.10 0.00 0.00 34.13 30.03 2qae s GLU 199 CO 0.41 -1.01 -0.04 0.08 0.02 0.00 0.00 175.26 174.73 2qae s VAL 200 N 3.43 3.88 -0.11 2.63 1.01 -1.26 -0.78 120.40 129.20 2qae s VAL 200 Ca 0.35 -0.38 0.04 0.00 0.00 0.00 0.00 61.98 61.99 2qae s VAL 200 Cb -0.12 -2.67 0.00 0.00 0.00 0.00 0.00 36.38 33.59 2qae s VAL 200 CO 0.20 0.52 -0.23 -0.89 0.00 0.00 0.00 175.10 174.71 2qae s THR 201 N 0.06 2.03 -0.20 3.92 2.01 -0.40 -1.67 115.64 121.39 2qae s THR 201 Ca -0.00 -0.99 -0.08 0.00 0.31 0.00 0.00 61.69 60.93 2qae s THR 201 Cb -0.13 -1.77 -0.04 0.00 0.01 0.00 0.00 72.50 70.57 2qae s THR 201 CO 0.03 0.55 0.08 -0.69 -0.69 0.00 0.00 174.62 173.89 2qae s VAL 202 N 0.47 4.80 -0.22 3.82 1.01 0.50 -0.29 120.40 130.49 2qae s VAL 202 Ca -0.16 -0.02 -0.04 0.00 0.00 0.00 0.00 61.98 61.76 2qae s VAL 202 Cb -0.17 -3.18 -0.01 0.00 0.00 0.00 0.00 36.38 33.01 2qae s VAL 202 CO 0.06 0.43 -0.04 -0.69 0.00 0.00 0.00 175.10 174.86 2qae s VAL 203 N 0.61 3.38 -0.04 2.92 1.01 0.64 -0.14 120.40 128.79 2qae s VAL 203 Ca 0.04 -0.49 0.02 0.00 0.00 0.00 0.00 61.98 61.55 2qae s VAL 203 Cb -0.13 -2.53 0.01 0.00 0.00 0.00 0.00 36.38 33.73 2qae s VAL 203 CO 0.01 0.43 -0.09 -0.70 0.00 0.00 0.00 175.10 174.75 2qae s GLU 204 N 1.42 1.11 0.15 2.72 2.56 -0.25 -0.41 118.70 126.00 2qae s GLU 204 Ca 0.05 -0.30 -0.09 0.00 0.00 0.00 0.00 54.97 54.64 2qae s GLU 204 Cb -0.14 -1.01 -0.01 0.00 2.00 0.00 0.00 34.13 34.97 2qae s GLU 204 CO -0.03 0.06 1.46 0.35 -0.56 0.00 0.00 175.26 176.54 2qae h PHE 205 N 6.66 0.99 -4.25 5.30 3.04 -1.84 -0.96 116.94 125.88 2qae h PHE 205 Ca -0.34 -0.33 -0.51 0.00 3.98 0.00 0.00 57.97 60.77 2qae h PHE 205 Cb 1.17 -0.19 0.14 0.00 2.56 0.00 0.00 35.95 39.63 2qae h PHE 205 CO 0.46 1.13 0.29 0.00 -2.02 0.00 0.00 178.31 178.18 2qae s ALA 206 N -4.18 2.01 0.53 2.41 0.00 -1.26 -3.43 121.76 117.84 2qae s ALA 206 Ca -0.10 0.22 0.23 0.00 0.00 0.00 0.00 51.96 52.31 2qae s ALA 206 Cb 0.11 -3.27 1.36 0.00 0.00 0.00 0.00 23.12 21.32 2qae s ALA 206 CO 0.87 -2.00 2.04 -1.35 0.00 0.00 0.00 175.76 175.33 2qae h PRO 207 N -1.30 0.00 -3.85 0.00 0.11 -1.94 -1.72 132.00 123.31 2qae h PRO 207 Ca -0.45 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.57 2qae h PRO 207 Cb 1.25 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.22 2qae h PRO 207 CO 0.51 0.00 -0.37 -0.98 -0.21 0.00 0.00 178.00 176.95 2qae s ARG 208 N -5.03 0.91 0.89 1.05 1.70 -1.26 -4.54 118.95 112.67 2qae s ARG 208 Ca -0.05 -1.02 -0.11 0.00 -0.47 0.00 0.00 55.73 54.08 2qae s ARG 208 Cb 0.19 0.35 0.12 0.00 -0.57 0.00 0.00 34.95 35.04 2qae s ARG 208 CO 0.71 -0.30 1.09 0.00 -1.08 0.00 0.00 175.30 175.73 2qae n ALA 210 N -3.91 -2.16 0.29 0.00 0.00 0.22 -4.73 120.51 110.21 2qae n ALA 210 Ca 0.08 -0.39 0.15 0.00 0.00 0.00 0.00 53.44 53.28 2qae n ALA 210 Cb 0.54 -1.57 0.81 0.00 0.00 0.00 0.00 19.45 19.23 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 -0.78 0.00 0.00 0.00 0.11 -1.86 -0.90 132.00 128.57 2qae h PRO 211 Ca -0.50 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.58 2qae h PRO 211 Cb 0.99 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.10 2qae h PRO 211 CO 0.35 0.00 -0.14 1.15 -0.21 0.00 0.00 178.00 179.14 2qae h THR 212 N 0.00 0.33 -2.85 -1.15 2.02 -1.93 -3.45 112.91 105.89 2qae h THR 212 Ca 0.00 -0.99 -0.50 0.00 0.77 0.00 0.00 66.41 65.69 2qae h THR 212 Cb 0.41 1.76 -0.00 0.00 -1.74 0.00 0.00 68.15 68.58 2qae h THR 212 CO 0.00 0.14 -0.24 -0.76 0.37 0.00 0.00 175.52 175.03 2qae s LEU 213 N -6.49 4.10 0.70 2.58 1.43 -0.34 -4.93 118.68 115.72 2qae s LEU 213 Ca 0.02 0.46 -0.15 0.00 -1.03 0.00 0.00 54.13 53.43 2qae s LEU 213 Cb 0.09 -3.28 0.02 0.00 0.03 0.00 0.00 46.19 43.05 2qae s LEU 213 CO 0.62 -0.19 1.15 -1.81 0.23 0.00 0.00 176.35 176.34 2qae s ASP 214 N -3.63 4.64 0.25 2.29 -0.00 -1.26 -4.80 116.67 114.15 2qae s ASP 214 Ca 0.40 2.14 -0.05 0.00 -0.00 0.00 0.00 52.55 55.04 2qae s ASP 214 Cb -0.10 -2.57 0.28 0.00 -0.00 0.00 0.00 42.92 40.53 2qae s ASP 214 CO 0.33 -1.95 1.85 -0.08 -0.00 0.00 0.00 175.17 175.32 2qae h GLU 215 N -0.22 1.14 -0.19 8.23 4.81 -1.95 -1.63 114.58 124.76 2qae h GLU 215 Ca -0.47 -0.15 -0.05 0.00 -0.13 0.00 0.00 59.36 58.56 2qae h GLU 215 Cb 1.27 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 30.42 2qae h GLU 215 CO 0.52 0.86 -0.09 0.38 -0.73 0.00 0.00 179.01 179.95 2qae h ASP 216 N 1.13 0.28 0.03 1.04 -0.00 -1.99 0.06 116.42 116.98 2qae h ASP 216 Ca 0.28 -0.05 -0.00 0.00 -0.00 0.00 0.00 57.03 57.25 2qae h ASP 216 Cb 0.09 -0.07 0.00 0.00 -0.00 0.00 0.00 39.33 39.35 2qae h ASP 216 CO -0.04 0.41 -0.01 0.58 -0.00 0.00 0.00 179.24 180.18 2qae h VAL 217 N 0.29 1.34 0.00 4.15 2.07 -1.81 -2.61 116.25 119.67 2qae h VAL 217 Ca 0.06 -1.19 -0.09 0.00 0.82 0.00 0.00 66.70 66.31 2qae h VAL 217 Cb 0.35 2.12 -0.01 0.00 -1.52 0.00 0.00 31.29 32.23 2qae h VAL 217 CO 0.02 0.30 -0.41 0.71 0.02 0.00 0.00 177.57 178.21 2qae h THR 218 N -0.56 1.25 -0.56 2.57 1.35 -1.17 -1.77 112.91 114.01 2qae h THR 218 Ca -0.00 -1.43 -0.01 0.00 -0.55 0.00 0.00 66.41 64.41 2qae h THR 218 Cb 0.52 1.78 -0.03 0.00 -1.73 0.00 0.00 68.15 68.70 2qae h THR 218 CO 0.01 0.40 0.31 -1.13 -0.25 0.00 0.00 175.52 174.86 2qae h ASN 219 N 0.00 0.71 -0.65 5.36 -1.24 -0.99 0.28 115.58 119.05 2qae h ASN 219 Ca -0.00 -0.09 -0.04 0.00 0.71 0.00 0.00 56.30 56.87 2qae h ASN 219 Cb 0.75 -0.18 -0.03 0.00 0.73 0.00 0.00 38.32 39.59 2qae h ASN 219 CO 0.05 0.60 0.24 0.00 -1.29 0.00 0.00 177.43 177.03 2qae h ALA 220 N 1.14 0.84 0.01 1.57 0.00 -1.01 -1.65 119.26 120.15 2qae h ALA 220 Ca 0.20 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2qae h ALA 220 Cb 0.05 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.59 2qae h ALA 220 CO -0.03 0.48 -0.00 1.25 0.00 0.00 0.00 179.25 180.94 2qae h LEU 221 N 0.92 -0.01 -1.60 0.00 5.85 -0.82 -2.75 115.31 116.90 2qae h LEU 221 Ca 0.21 -0.47 -0.04 0.00 0.84 0.00 0.00 57.88 58.42 2qae h LEU 221 Cb 0.24 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 2qae h LEU 221 CO -0.01 0.47 -0.21 0.58 -0.34 0.00 0.00 178.44 178.93 2qae h VAL 222 N -0.49 1.11 -0.46 1.05 2.07 -0.47 -0.66 116.25 118.40 2qae h VAL 222 Ca -0.00 -0.72 -0.11 0.00 0.82 0.00 0.00 66.70 66.69 2qae h VAL 222 Cb 0.48 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.63 2qae h VAL 222 CO 0.00 0.20 -0.17 1.23 0.02 0.00 0.00 177.57 178.85 2qae h GLY 223 N 0.65 0.97 0.93 2.17 0.00 -1.30 -0.03 103.07 106.45 2qae h GLY 223 Ca -0.00 -0.80 -0.12 0.00 0.00 0.00 0.00 47.33 46.41 2qae h GLY 223 CO 0.03 0.73 -0.31 0.00 0.00 0.00 0.00 176.54 176.99 2qae h ALA 224 N 1.01 0.35 -0.57 3.60 0.00 -1.05 -2.04 119.26 120.58 2qae h ALA 224 Ca 0.12 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 2qae h ALA 224 Cb 0.71 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 2qae h ALA 224 CO 0.05 0.38 0.27 -0.07 0.00 0.00 0.00 179.25 179.89 2qae h LEU 225 N 0.33 0.72 -0.69 0.00 3.38 -0.93 0.97 115.31 119.08 2qae h LEU 225 Ca 0.03 -0.07 -0.14 0.00 0.09 0.00 0.00 57.88 57.79 2qae h LEU 225 Cb 0.89 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 2qae h LEU 225 CO 0.07 0.61 -0.47 0.00 0.09 0.00 0.00 178.44 178.75 2qae h ALA 226 N 1.50 0.87 0.16 1.53 0.00 -0.93 -1.67 119.26 120.72 2qae h ALA 226 Ca 0.20 -0.46 -0.25 0.00 0.00 0.00 0.00 54.91 54.39 2qae h ALA 226 Cb 0.09 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 17.80 2qae h ALA 226 CO -0.03 0.65 -1.18 -0.22 0.00 0.00 0.00 179.25 178.48 2qae h LYS 227 N 0.36 0.34 0.00 0.00 3.64 -0.69 -3.15 116.57 117.08 2qae h LYS 227 Ca 0.02 -0.59 -0.26 0.00 -1.27 0.00 0.00 60.65 58.55 2qae h LYS 227 Cb 0.96 0.22 -0.04 0.00 -0.41 0.00 0.00 32.23 32.96 2qae h LYS 227 CO 0.08 1.28 -1.45 0.09 -2.27 0.00 0.00 179.45 177.19 2qae n ASN 228 N -3.95 1.87 0.03 4.20 3.02 0.27 -4.33 115.26 116.38 2qae n ASN 228 Ca -0.18 0.42 0.13 0.00 -0.03 0.00 0.00 54.58 54.91 2qae n ASN 228 Cb 0.92 -0.94 0.38 0.00 -0.61 0.00 0.00 39.78 39.53 2qae n ASN 228 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2qae n GLU 229 N -4.41 0.11 -2.84 3.52 4.71 -0.84 -4.93 120.64 115.96 2qae n GLU 229 Ca -0.35 0.06 -0.20 0.00 -0.01 0.00 0.00 57.16 56.66 2qae n GLU 229 Cb 0.70 -1.59 0.03 0.00 -1.01 0.00 0.00 31.44 29.56 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 -1.77 -3.96 -2.65 3.49 4.76 -0.69 -4.73 118.16 112.62 2qae n LYS 230 Ca 0.05 0.85 -0.36 0.00 -2.87 0.00 0.00 58.31 55.98 2qae n LYS 230 Cb 0.38 -5.51 -0.05 0.00 -1.84 0.00 0.00 35.03 28.00 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 -5.48 4.26 -0.09 1.97 -1.94 -0.98 -4.70 119.30 112.34 2qae s MET 231 Ca 0.23 1.39 -0.03 0.00 -1.71 0.00 0.00 55.69 55.57 2qae s MET 231 Cb -0.10 -2.52 -0.03 0.00 2.01 0.00 0.00 34.83 34.18 2qae s MET 231 CO 0.28 -0.03 0.03 0.21 -0.01 0.00 0.00 175.02 175.49 2qae s LYS 232 N -2.53 3.06 -0.04 2.03 2.20 -0.67 -4.41 119.74 119.38 2qae s LYS 232 Ca 0.57 -0.36 0.06 0.00 -0.36 0.00 0.00 55.97 55.88 2qae s LYS 232 Cb -0.19 -2.86 -0.01 0.00 -1.51 0.00 0.00 37.83 33.26 2qae s LYS 232 CO 0.24 0.72 -0.22 -0.06 -0.36 0.00 0.00 175.35 175.66 2qae s PHE 233 N -0.91 2.12 -0.37 4.03 0.40 -1.26 -0.37 117.98 121.62 2qae s PHE 233 Ca 0.14 -0.57 0.02 0.00 -0.60 0.00 0.00 56.93 55.92 2qae s PHE 233 Cb -0.11 -1.39 0.11 0.00 0.51 0.00 0.00 43.02 42.13 2qae s PHE 233 CO 0.03 -0.15 0.13 -1.64 0.70 0.00 0.00 175.22 174.28 2qae s MET 234 N -0.20 1.24 0.55 0.44 -1.94 0.80 -4.94 119.30 115.25 2qae s MET 234 Ca -0.00 -1.72 0.03 0.00 -1.71 0.00 0.00 55.69 52.28 2qae s MET 234 Cb -0.12 -2.64 0.05 0.00 2.01 0.00 0.00 34.83 34.13 2qae s MET 234 CO 0.02 -1.02 0.77 0.95 -0.01 0.00 0.00 175.02 175.73 2qae s THR 235 N 0.89 2.60 -1.48 2.05 -4.23 -1.26 -1.09 115.64 113.12 2qae s THR 235 Ca 0.13 -0.76 -0.14 0.00 -1.18 0.00 0.00 61.69 59.74 2qae s THR 235 Cb -0.20 -2.85 0.11 0.00 1.34 0.00 0.00 72.50 70.90 2qae s THR 235 CO -0.11 0.00 0.69 -1.20 -0.54 0.00 0.00 174.62 173.45 2qae n SER 236 N -2.31 -3.75 -4.18 3.99 7.64 -0.43 -4.87 113.62 109.71 2qae n SER 236 Ca 0.10 -0.68 -0.30 0.00 1.01 0.00 0.00 58.87 59.00 2qae n SER 236 Cb 0.60 -3.07 -0.17 0.00 -1.01 0.00 0.00 64.21 60.56 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 -3.11 1.79 -0.06 0.44 2.01 -0.83 -4.45 115.64 111.42 2qae s THR 237 Ca 0.58 -0.88 -0.02 0.00 0.31 0.00 0.00 61.69 61.67 2qae s THR 237 Cb -0.31 -1.55 -0.04 0.00 0.01 0.00 0.00 72.50 70.62 2qae s THR 237 CO 0.71 0.50 0.06 -0.75 -0.69 0.00 0.00 174.62 174.45 2qae s LYS 238 N 0.24 3.10 -0.26 4.92 2.47 -0.47 -3.14 119.74 126.60 2qae s LYS 238 Ca -0.12 -0.39 -0.15 0.00 -1.56 0.00 0.00 55.97 53.75 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 0.69 0.37 0.08 0.16 0.00 0.00 175.35 176.71 2qae s VAL 239 N -1.04 5.19 -0.36 4.02 1.01 -1.26 -0.82 120.40 127.12 2qae s VAL 239 Ca 0.18 0.58 0.12 0.00 0.00 0.00 0.00 61.98 62.86 2qae s VAL 239 Cb -0.12 -3.70 -0.15 0.00 0.00 0.00 0.00 36.38 32.41 2qae s VAL 239 CO 0.07 0.18 0.42 1.33 0.00 0.00 0.00 175.10 177.11 2qae n VAL 240 N 4.93 0.00 -3.79 2.92 0.24 0.09 -5.00 118.33 117.73 2qae n VAL 240 Ca -0.09 -0.24 0.02 0.00 -2.04 0.00 0.00 64.34 61.99 2qae n VAL 240 Cb 0.51 0.71 0.00 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 -2.61 -0.26 -0.11 7.63 0.00 -1.13 -4.99 107.32 105.85 2qae s GLY 241 Ca 0.01 0.35 -0.33 0.00 0.00 0.00 0.00 44.72 44.75 2qae s GLY 241 CO 0.50 2.55 1.32 -0.32 0.00 0.00 0.00 173.10 177.15 2qae s GLY 242 N -3.35 -0.38 -0.02 0.20 0.00 -1.26 -0.91 107.32 101.59 2qae s GLY 242 Ca 0.21 1.11 -0.00 0.00 0.00 0.00 0.00 44.72 46.03 2qae s GLY 242 CO -0.02 0.29 0.04 -1.59 0.00 0.00 0.00 173.10 171.82 2qae s THR 243 N -2.28 -0.05 -0.38 0.90 2.01 0.34 -4.91 115.64 111.28 2qae s THR 243 Ca 0.13 0.17 -0.20 0.00 0.31 0.00 0.00 61.69 62.09 2qae s THR 243 Cb 0.04 -0.09 0.01 0.00 0.01 0.00 0.00 72.50 72.47 2qae s THR 243 CO -0.04 0.07 0.62 0.21 -0.69 0.00 0.00 174.62 174.78 2qae s ASN 244 N 0.84 6.38 0.00 3.53 3.84 -1.26 -1.38 114.94 126.90 2qae s ASN 244 Ca -0.07 -0.00 0.15 0.00 0.21 0.00 0.00 52.86 53.15 2qae s ASN 244 Cb -0.10 -2.32 0.43 0.00 -0.55 0.00 0.00 41.25 38.71 2qae s ASN 244 CO -0.03 -0.62 1.36 0.59 -2.79 0.00 0.00 177.10 175.61 2qae n ASN 245 N 6.05 2.58 0.00 -4.21 3.02 -0.08 -4.96 115.26 117.66 2qae n ASN 245 Ca -0.02 -2.00 0.00 0.00 -0.03 0.00 0.00 54.58 52.53 2qae n ASN 245 Cb 0.48 -0.32 0.00 0.00 -0.61 0.00 0.00 39.78 39.33 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 2.56 0.02 7.41 0.00 -1.26 -4.43 105.19 110.76 2qae n GLY 246 Ca 0.16 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 2.54 1.43 -3.80 1.61 3.85 -1.26 -4.78 116.55 116.14 2qae n ASP 247 Ca 0.00 -1.41 -0.07 0.00 -0.71 0.00 0.00 54.79 52.60 2qae n ASP 247 Cb 0.00 -0.00 -0.02 0.00 -1.35 0.00 0.00 41.12 39.75 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 -0.42 -0.24 0.02 -1.12 1.04 -1.26 -4.78 113.70 106.94 2qae s SER 248 Ca 0.01 -0.64 0.05 0.00 0.48 0.00 0.00 55.95 55.84 2qae s SER 248 Cb 0.00 0.74 -0.02 0.00 0.10 0.00 0.00 66.02 66.84 2qae s SER 248 CO 0.00 -1.37 -0.14 -0.69 0.98 0.00 0.00 173.24 172.02 2qae s VAL 249 N -3.81 1.14 -0.19 5.02 1.01 0.22 -0.90 120.40 122.89 2qae s VAL 249 Ca 0.11 -0.82 -0.01 0.00 0.00 0.00 0.00 61.98 61.26 2qae s VAL 249 Cb -0.06 -0.99 -0.00 0.00 0.00 0.00 0.00 36.38 35.33 2qae s VAL 249 CO 0.07 0.16 -0.11 -0.44 0.00 0.00 0.00 175.10 174.78 2qae s SER 250 N -0.76 3.89 -0.06 3.32 0.01 -0.48 -1.30 113.70 118.32 2qae s SER 250 Ca 0.04 -0.45 0.03 0.00 1.31 0.00 0.00 55.95 56.88 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 0.00 0.03 -0.15 -0.76 0.41 0.00 0.00 173.24 172.78 2qae s LEU 251 N 1.14 2.67 -0.19 2.44 1.43 0.64 -0.50 118.68 126.30 2qae s LEU 251 Ca 0.01 -0.24 -0.04 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 -0.03 0.31 -0.02 -1.61 0.23 0.00 0.00 176.35 175.23 2qae s GLU 252 N -0.53 3.60 0.30 1.70 2.02 -0.09 0.05 118.70 125.75 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 -3.02 -0.06 0.00 0.10 0.00 0.00 34.13 31.03 2qae s GLU 252 CO 0.01 0.05 -0.00 0.14 0.02 0.00 0.00 175.26 175.48 2qae s VAL 253 N 0.88 1.44 -0.18 2.63 -7.23 0.95 -0.73 120.40 118.16 2qae s VAL 253 Ca 0.00 -2.06 -0.14 0.00 -1.81 0.00 0.00 61.98 57.97 2qae s VAL 253 Cb -0.14 -2.61 0.05 0.00 0.56 0.00 0.00 36.38 34.23 2qae s VAL 253 CO 0.02 -0.17 0.47 -1.83 -0.31 0.00 0.00 175.10 173.28 2qae s GLU 254 N -3.80 0.51 -0.01 4.82 -1.05 -0.00 -1.11 118.70 118.06 2qae s GLU 254 Ca 0.32 0.74 0.11 0.00 -0.15 0.00 0.00 54.97 56.00 2qae s GLU 254 Cb 0.06 0.17 -0.16 0.00 -0.44 0.00 0.00 34.13 33.76 2qae s GLU 254 CO 0.13 -0.10 0.30 0.41 0.95 0.00 0.00 175.26 176.96 2qae n GLY 255 N 3.38 -0.40 1.93 -3.83 0.00 -1.26 -1.37 105.19 103.64 2qae n GLY 255 Ca -0.17 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.73 -5.19 -2.20 1.61 4.81 -1.26 -4.94 118.16 109.26 2qae n LYS 259 Ca -0.01 3.71 -0.26 0.00 -0.87 0.00 0.00 58.31 60.88 2qae n LYS 259 Cb 0.26 -3.97 0.11 0.00 0.02 0.00 0.00 35.03 31.45 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 -1.02 1.71 -0.27 1.64 0.52 -1.26 -5.01 118.95 115.26 2qae s ARG 260 Ca 0.00 -0.44 -0.28 0.00 -0.52 0.00 0.00 55.73 54.49 2qae s ARG 260 Cb 0.00 -2.11 0.18 0.00 0.52 0.00 0.00 34.95 33.53 2qae s ARG 260 CO 0.00 -1.58 1.30 -2.00 0.02 0.00 0.00 175.30 173.04 2qae s GLU 261 N -5.40 0.18 -0.13 3.54 2.12 -0.26 -4.93 118.70 113.82 2qae s GLU 261 Ca 0.65 0.08 0.01 0.00 0.36 0.00 0.00 54.97 56.06 2qae s GLU 261 Cb -0.08 0.08 -0.01 0.00 0.26 0.00 0.00 34.13 34.38 2qae s GLU 261 CO 0.47 -0.05 -0.15 0.99 -0.54 0.00 0.00 175.26 175.98 2qae s THR 262 N -0.76 2.79 -0.05 -1.70 2.01 -1.26 -0.04 115.64 116.63 2qae s THR 262 Ca 0.06 -0.75 0.03 0.00 0.31 0.00 0.00 61.69 61.35 2qae s THR 262 Cb -0.02 -2.16 -0.03 0.00 0.01 0.00 0.00 72.50 70.31 2qae s THR 262 CO -0.08 0.53 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.56 2qae s VAL 263 N 0.45 3.20 -0.10 3.82 1.01 0.11 -4.94 120.40 123.95 2qae s VAL 263 Ca -0.11 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.22 2qae s VAL 263 Cb -0.16 -2.27 -0.01 0.00 0.00 0.00 0.00 36.38 33.94 2qae s VAL 263 CO 0.05 0.59 -0.17 -0.89 0.00 0.00 0.00 175.10 174.68 2qae s THR 264 N -0.73 2.71 0.05 3.92 2.01 -1.26 -0.26 115.64 122.08 2qae s THR 264 Ca 0.11 -0.80 -0.08 0.00 0.31 0.00 0.00 61.69 61.24 2qae s THR 264 Cb -0.11 -2.09 -0.00 0.00 0.01 0.00 0.00 72.50 70.31 2qae s THR 264 CO 0.01 0.55 0.15 0.00 -0.69 0.00 0.00 174.62 174.64 2qae h GLU 266 N 3.38 0.00 -3.35 0.00 4.81 -1.81 0.64 114.58 118.26 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 -0.30 0.00 0.63 0.00 0.00 28.75 30.27 2qae h GLU 266 CO 0.51 0.72 -0.60 0.00 -0.73 0.00 0.00 179.01 178.92 2qae s ALA 267 N -3.16 -0.26 -0.15 2.92 0.00 -1.09 -4.53 121.76 115.50 2qae s ALA 267 Ca 0.01 0.51 0.01 0.00 0.00 0.00 0.00 51.96 52.48 2qae s ALA 267 Cb 0.11 -0.33 -0.00 0.00 0.00 0.00 0.00 23.12 22.89 2qae s ALA 267 CO 0.77 -0.11 -0.16 -1.17 0.00 0.00 0.00 175.76 175.09 2qae s LEU 268 N 0.69 2.47 -0.25 0.00 2.96 0.62 -1.94 118.68 123.22 2qae s LEU 268 Ca -0.05 -0.46 -0.08 0.00 -0.22 0.00 0.00 54.13 53.32 2qae s LEU 268 Cb -0.07 -1.55 -0.03 0.00 0.50 0.00 0.00 46.19 45.03 2qae s LEU 268 CO -0.03 0.10 0.09 -0.22 -1.32 0.00 0.00 176.35 174.97 2qae s LEU 269 N 0.71 3.58 -0.41 -0.68 0.20 -0.16 -0.56 118.68 121.36 2qae s LEU 269 Ca -0.07 -0.15 -0.15 0.00 0.69 0.00 0.00 54.13 54.45 2qae s LEU 269 Cb -0.16 -1.97 0.03 0.00 -0.43 0.00 0.00 46.19 43.66 2qae s LEU 269 CO 0.01 -0.03 0.30 -0.69 -0.29 0.00 0.00 176.35 175.66 2qae s VAL 270 N 1.58 5.20 -0.44 1.68 1.01 -0.44 -0.80 120.40 128.18 2qae s VAL 270 Ca 0.06 -0.72 0.10 0.00 0.00 0.00 0.00 61.98 61.42 2qae s VAL 270 Cb -0.15 -3.91 0.37 0.00 0.00 0.00 0.00 36.38 32.68 2qae s VAL 270 CO 0.05 -0.33 0.87 -1.54 0.00 0.00 0.00 175.10 174.15 2qae n SER 271 N 5.15 2.53 0.15 3.32 3.41 -0.01 -4.53 113.62 123.65 2qae n SER 271 Ca -0.11 -3.27 0.04 0.00 -0.26 0.00 0.00 58.87 55.26 2qae n SER 271 Cb 0.47 -0.57 0.10 0.00 -0.26 0.00 0.00 64.21 63.94 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 2.08 0.82 0.00 -3.33 -1.51 -1.83 -3.40 116.25 109.08 2qae h VAL 272 Ca 0.10 -2.02 0.00 0.00 -1.23 0.00 0.00 66.70 63.55 2qae h VAL 272 Cb 0.83 2.31 0.00 0.00 -2.13 0.00 0.00 31.29 32.30 2qae h VAL 272 CO 0.64 0.44 0.00 0.61 -1.23 0.00 0.00 177.57 178.04 2qae n GLY 273 N 1.02 -1.82 3.11 5.19 0.00 -1.26 -5.01 105.19 106.42 2qae n GLY 273 Ca 0.02 -1.13 -0.16 0.00 0.00 0.00 0.00 46.02 44.75 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 -1.68 0.68 0.12 1.61 0.52 -1.26 -1.58 118.95 117.35 2qae s ARG 274 Ca 0.00 -0.85 0.11 0.00 -0.52 0.00 0.00 55.73 54.47 2qae s ARG 274 Cb 0.00 -0.57 -0.04 0.00 0.52 0.00 0.00 34.95 34.87 2qae s ARG 274 CO 0.00 0.12 -0.27 -0.98 0.02 0.00 0.00 175.30 174.19 2qae s ARG 275 N -1.63 1.40 0.40 3.54 1.70 0.08 -4.84 118.95 119.60 2qae s ARG 275 Ca -0.06 -1.32 -0.27 0.00 -0.47 0.00 0.00 55.73 53.61 2qae s ARG 275 Cb -0.10 -1.87 -0.09 0.00 -0.57 0.00 0.00 34.95 32.32 2qae s ARG 275 CO 0.01 0.45 1.37 -1.25 -1.08 0.00 0.00 175.30 174.79 2qae s PRO 276 N -2.00 4.01 -0.18 3.89 0.04 -1.26 -1.02 135.00 138.47 2qae s PRO 276 Ca 0.13 2.31 -0.01 0.00 0.04 0.00 0.00 61.00 63.47 2qae s PRO 276 Cb -0.10 -2.84 -0.00 0.00 0.04 0.00 0.00 34.50 31.60 2qae s PRO 276 CO 0.06 -0.51 -0.12 0.12 0.04 0.00 0.00 177.00 176.58 2qae s PHE 277 N -1.20 2.85 -0.03 0.56 5.36 0.90 -4.79 117.98 121.63 2qae s PHE 277 Ca 0.55 -1.10 0.04 0.00 -0.96 0.00 0.00 56.93 55.47 2qae s PHE 277 Cb -0.41 -1.98 0.06 0.00 -0.34 0.00 0.00 43.02 40.36 2qae s PHE 277 CO 0.54 -0.55 1.01 0.25 -1.46 0.00 0.00 175.22 175.01 2qae n THR 278 N 4.42 0.43 -1.72 0.12 -2.24 -1.26 -4.31 114.28 109.72 2qae n THR 278 Ca -0.19 -0.52 -0.42 0.00 -2.27 0.00 0.00 64.05 60.65 2qae n THR 278 Cb 0.51 0.36 -0.02 0.00 -2.10 0.00 0.00 70.33 69.07 2qae n THR 278 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qae n GLY 279 N -0.33 1.37 3.13 3.38 0.00 -1.26 -1.99 105.19 109.48 2qae n GLY 279 Ca 0.04 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.60 2qae n GLY 279 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qae n GLY 280 N 2.98 0.52 0.21 -0.02 0.00 -1.26 -4.88 105.19 102.74 2qae n GLY 280 Ca 0.12 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.25 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 0.24 0.99 5.85 -1.63 -3.42 115.31 117.34 2qae h LEU 281 Ca 0.00 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 2qae h LEU 281 Cb 0.11 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 2qae h LEU 281 CO 0.00 0.15 -0.06 0.61 -0.34 0.00 0.00 178.44 178.80 2qae n GLY 282 N 0.81 0.44 0.27 3.75 0.00 -1.26 -0.99 105.19 108.20 2qae n GLY 282 Ca 0.02 -0.88 0.09 0.00 0.00 0.00 0.00 46.02 45.26 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 0.00 -0.55 0.99 3.38 -1.92 -1.42 115.31 115.79 2qae h LEU 283 Ca -0.06 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.75 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 0.08 0.00 -0.62 0.44 0.09 0.00 0.00 178.44 178.43 2qae h ASP 284 N 0.00 0.43 -0.33 -0.43 5.19 -1.92 0.01 116.42 119.38 2qae h ASP 284 Ca 0.01 -0.25 0.00 0.00 -0.62 0.00 0.00 57.03 56.18 2qae h ASP 284 Cb 0.05 -0.12 -0.02 0.00 0.18 0.00 0.00 39.33 39.42 2qae h ASP 284 CO -0.00 0.94 0.21 0.50 -3.12 0.00 0.00 179.24 177.77 2qae h LYS 285 N 0.27 0.44 -0.23 3.56 3.64 -1.63 -2.86 116.57 119.76 2qae h LYS 285 Ca -0.01 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2qae h LYS 285 Cb 1.15 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.87 2qae h LYS 285 CO 0.10 0.30 0.00 0.44 -2.27 0.00 0.00 179.45 178.02 2qae n ILE 286 N -4.48 0.66 -3.53 2.00 -5.35 -1.07 -5.02 119.36 102.57 2qae n ILE 286 Ca 0.02 -0.83 -0.22 0.00 -0.27 0.00 0.00 62.75 61.45 2qae n ILE 286 Cb 0.07 0.75 0.08 0.00 -1.74 0.00 0.00 39.64 38.80 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 0.53 -6.01 -4.69 7.28 4.05 -0.07 -4.95 115.26 111.41 2qae n ASN 287 Ca 0.10 -0.51 -0.42 0.00 0.45 0.00 0.00 54.58 54.19 2qae n ASN 287 Cb 0.37 -4.80 -0.03 0.00 1.23 0.00 0.00 39.78 36.56 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 -3.30 4.32 0.23 3.44 1.01 -0.86 -4.76 120.40 120.48 2qae s VAL 288 Ca 0.54 1.64 -0.30 0.00 0.00 0.00 0.00 61.98 63.86 2qae s VAL 288 Cb -0.24 -4.05 -0.09 0.00 0.00 0.00 0.00 36.38 32.00 2qae s VAL 288 CO 0.69 -0.00 1.15 0.00 0.00 0.00 0.00 175.10 176.94 2qae s ALA 289 N 2.20 3.42 0.12 5.51 0.00 -1.26 -4.80 121.76 126.95 2qae s ALA 289 Ca 0.55 0.93 0.08 0.00 0.00 0.00 0.00 51.96 53.52 2qae s ALA 289 Cb -0.24 -3.38 -0.04 0.00 0.00 0.00 0.00 23.12 19.47 2qae s ALA 289 CO 0.21 -0.28 -0.20 0.15 0.00 0.00 0.00 175.76 175.64 2qae s LYS 290 N -0.79 1.17 0.77 0.00 1.02 -1.26 -1.84 119.74 118.81 2qae s LYS 290 Ca 0.49 -1.25 -0.10 0.00 0.02 0.00 0.00 55.97 55.13 2qae s LYS 290 Cb -0.32 -1.34 0.17 0.00 -0.52 0.00 0.00 37.83 35.82 2qae s LYS 290 CO 0.39 0.30 1.05 0.27 -0.92 0.00 0.00 175.35 176.44 2qae n ASN 291 N 0.79 0.42 0.32 2.83 2.04 0.05 -4.88 115.26 116.83 2qae n ASN 291 Ca -0.17 -1.59 0.20 0.00 -0.44 0.00 0.00 54.58 52.59 2qae n ASN 291 Cb 0.55 -0.77 1.06 0.00 -2.53 0.00 0.00 39.78 38.08 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 -0.66 114.58 113.15 2qae h GLU 292 Ca -0.34 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 2qae h GLU 292 Cb 1.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.28 2qae h GLU 292 CO 0.27 0.01 -0.21 0.54 -1.00 0.00 0.00 179.01 178.63 2qae n ARG 293 N -3.20 0.86 -0.29 2.33 5.12 -1.26 -4.93 116.66 115.28 2qae n ARG 293 Ca -0.02 -0.46 0.00 0.00 -1.93 0.00 0.00 57.85 55.43 2qae n ARG 293 Cb 0.13 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 29.94 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 1.32 0.71 3.78 -0.13 0.00 -0.25 -4.67 105.19 105.94 2qae n GLY 294 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.41 3.50 0.03 1.61 0.08 -1.26 -4.77 117.98 114.76 2qae s PHE 295 Ca 0.00 1.72 -0.30 0.00 0.12 0.00 0.00 56.93 58.46 2qae s PHE 295 Cb 0.00 -3.07 -0.05 0.00 -0.57 0.00 0.00 43.02 39.34 2qae s PHE 295 CO 0.00 -0.26 1.14 0.08 -0.10 0.00 0.00 175.22 176.08 2qae s VAL 296 N -1.55 4.28 0.02 -0.44 1.01 -0.03 -0.77 120.40 122.92 2qae s VAL 296 Ca 0.52 1.63 -0.30 0.00 0.00 0.00 0.00 61.98 63.83 2qae s VAL 296 Cb -0.22 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.08 2qae s VAL 296 CO 0.28 0.11 1.01 -0.54 0.00 0.00 0.00 175.10 175.96 2qae s LYS 297 N 1.21 4.55 0.20 2.72 1.02 -0.77 -2.16 119.74 126.51 2qae s LYS 297 Ca 0.57 1.47 0.04 0.00 0.02 0.00 0.00 55.97 58.06 2qae s LYS 297 Cb -0.27 -3.44 -0.05 0.00 -0.52 0.00 0.00 37.83 33.56 2qae s LYS 297 CO 0.28 -0.06 -0.03 0.96 -0.92 0.00 0.00 175.35 175.58 2qae s ILE 298 N 0.94 1.03 0.00 2.17 -4.36 -1.26 -4.24 121.20 115.48 2qae s ILE 298 Ca 0.53 -2.04 0.00 0.00 -0.26 0.00 0.00 60.65 58.88 2qae s ILE 298 Cb -0.22 -2.19 0.00 0.00 1.25 0.00 0.00 42.46 41.30 2qae s ILE 298 CO 0.28 -0.45 0.00 0.61 0.24 0.00 0.00 174.94 175.62 2qae n GLY 299 N -0.34 2.32 0.24 6.27 0.00 -0.53 -4.93 105.19 108.23 2qae n GLY 299 Ca -0.07 -2.14 0.17 0.00 0.00 0.00 0.00 46.02 43.98 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 -1.67 116.42 119.26 2qae h ASP 300 Ca 0.00 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.37 2qae h ASP 300 Cb 0.00 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.49 2qae h ASP 300 CO 0.00 0.00 -0.00 1.41 -3.12 0.00 0.00 179.24 177.53 2qae n HIS 301 N -2.69 0.95 -0.97 4.55 8.25 -1.26 -4.95 115.22 119.10 2qae n HIS 301 Ca -0.01 -1.03 0.00 0.00 -0.26 0.00 0.00 57.72 56.41 2qae n HIS 301 Cb 0.11 -0.35 0.00 0.00 1.12 0.00 0.00 29.99 30.87 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 -0.69 0.00 -2.61 4.41 3.01 -0.63 -4.95 117.46 116.00 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 -0.89 -0.05 0.00 -0.01 0.00 0.00 39.48 39.45 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 -0.86 4.74 0.16 -1.08 1.03 -1.26 -1.26 118.70 120.16 2qae s GLU 303 Ca 0.00 1.65 -0.01 0.00 0.03 0.00 0.00 54.97 56.64 2qae s GLU 303 Cb 0.00 -3.24 0.03 0.00 -0.80 0.00 0.00 34.13 30.12 2qae s GLU 303 CO 0.00 0.35 0.21 0.25 -1.33 0.00 0.00 175.26 174.74 2qae n THR 304 N 1.41 0.00 0.46 1.83 -2.24 -0.38 -1.45 114.28 113.91 2qae n THR 304 Ca -0.01 -0.26 0.12 0.00 -2.27 0.00 0.00 64.05 61.62 2qae n THR 304 Cb 0.46 -1.50 0.47 0.00 -2.10 0.00 0.00 70.33 67.66 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 -3.04 0.66 -4.51 3.42 3.41 -1.26 -4.62 113.62 107.68 2qae n SER 305 Ca 0.03 0.64 -0.37 0.00 -0.26 0.00 0.00 58.87 58.91 2qae n SER 305 Cb 0.11 -0.79 -0.12 0.00 -0.26 0.00 0.00 64.21 63.16 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 -3.25 4.68 0.25 -1.33 -1.09 -1.26 -4.98 121.20 114.22 2qae s ILE 306 Ca 0.06 -0.05 -0.29 0.00 -2.23 0.00 0.00 60.65 58.14 2qae s ILE 306 Cb 0.10 -3.19 -0.15 0.00 -1.58 0.00 0.00 42.46 37.64 2qae s ILE 306 CO 0.43 0.33 0.99 -2.65 -1.23 0.00 0.00 174.94 172.81 2qae n PRO 307 N 4.79 1.17 -0.91 2.79 -0.02 -1.26 -1.87 135.00 139.69 2qae n PRO 307 Ca -0.16 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 2qae n PRO 307 Cb 0.52 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 32.23 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 1.48 -1.20 -4.18 2.55 10.43 -1.26 -4.99 116.55 119.37 2qae n ASP 308 Ca 0.12 0.00 -0.33 0.00 2.57 0.00 0.00 54.79 57.15 2qae n ASP 308 Cb 0.30 -0.87 -0.16 0.00 1.84 0.00 0.00 41.12 42.23 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 -2.73 2.33 0.37 2.53 1.01 -0.78 -1.53 120.40 121.60 2qae s VAL 309 Ca 0.00 -0.87 0.08 0.00 0.00 0.00 0.00 61.98 61.20 2qae s VAL 309 Cb 0.00 -1.98 -0.07 0.00 0.00 0.00 0.00 36.38 34.33 2qae s VAL 309 CO 0.00 0.52 -0.03 -0.31 0.00 0.00 0.00 175.10 175.29 2qae s TYR 310 N 1.09 2.47 -0.04 5.22 2.02 0.44 -1.25 117.35 127.30 2qae s TYR 310 Ca -0.00 -0.56 -0.15 0.00 -0.37 0.00 0.00 57.07 55.98 2qae s TYR 310 Cb -0.14 -1.58 0.03 0.00 -0.40 0.00 0.00 41.96 39.87 2qae s TYR 310 CO -0.06 0.50 0.35 0.00 -1.57 0.00 0.00 175.55 174.76 2qae s ALA 311 N -2.64 -0.87 0.23 3.71 0.00 -0.39 0.18 121.76 121.98 2qae s ALA 311 Ca 0.34 0.54 -0.09 0.00 0.00 0.00 0.00 51.96 52.75 2qae s ALA 311 Cb 0.05 -0.07 -0.02 0.00 0.00 0.00 0.00 23.12 23.08 2qae s ALA 311 CO 0.18 -0.25 0.37 0.96 0.00 0.00 0.00 175.76 177.02 2qae s ILE 312 N -1.00 0.00 0.00 0.00 -4.36 -0.56 -4.79 121.20 110.48 2qae s ILE 312 Ca -0.11 -1.60 0.00 0.00 -0.26 0.00 0.00 60.65 58.69 2qae s ILE 312 Cb -0.04 -2.30 0.00 0.00 1.25 0.00 0.00 42.46 41.37 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 -0.35 -0.69 0.27 6.27 0.00 -1.26 -4.13 105.19 105.31 2qae n GLY 313 Ca -0.00 -1.22 0.12 0.00 0.00 0.00 0.00 46.02 44.92 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 5.50 0.00 0.90 1.61 5.19 -1.89 -2.87 116.42 124.85 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 -3.88 0.56 -3.67 -1.35 3.14 -1.24 -4.70 118.33 107.19 2qae n VAL 315 Ca -0.02 0.06 -0.24 0.00 -2.96 0.00 0.00 64.34 61.18 2qae n VAL 315 Cb 0.18 -0.78 -0.02 0.00 -1.06 0.00 0.00 33.84 32.16 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 -3.07 5.19 -0.27 1.55 -7.23 -1.09 -0.85 120.40 114.62 2qae s VAL 316 Ca 0.10 -0.62 0.00 0.00 -1.81 0.00 0.00 61.98 59.65 2qae s VAL 316 Cb 0.13 -3.83 0.00 0.00 0.56 0.00 0.00 36.38 33.25 2qae s VAL 316 CO 0.44 -0.37 0.75 -0.90 -0.31 0.00 0.00 175.10 174.71 2qae n ASP 317 N -1.34 2.14 -4.12 4.85 3.85 -0.92 -4.80 116.55 116.21 2qae n ASP 317 Ca -0.06 -1.74 -0.18 0.00 -0.71 0.00 0.00 54.79 52.10 2qae n ASP 317 Cb 0.56 -0.44 -0.13 0.00 -1.35 0.00 0.00 41.12 39.77 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 -0.18 0.78 0.34 0.11 2.20 -1.26 -4.99 119.74 116.74 2qae s LYS 318 Ca 0.00 -0.76 0.00 0.00 -0.36 0.00 0.00 55.97 54.85 2qae s LYS 318 Cb 0.00 -0.74 0.00 0.00 -1.51 0.00 0.00 37.83 35.58 2qae s LYS 318 CO 0.00 0.17 0.00 0.41 -0.36 0.00 0.00 175.35 175.57 2qae n GLY 319 N 1.74 -1.91 3.88 5.54 0.00 -1.26 -4.87 105.19 108.30 2qae n GLY 319 Ca -0.19 -1.14 -0.30 0.00 0.00 0.00 0.00 46.02 44.38 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 -2.26 3.60 -1.20 1.61 0.04 -1.26 -4.97 135.00 130.56 2qae s PRO 320 Ca 0.00 0.66 -0.17 0.00 0.04 0.00 0.00 61.00 61.53 2qae s PRO 320 Cb 0.00 -2.13 0.11 0.00 0.04 0.00 0.00 34.50 32.52 2qae s PRO 320 CO 0.00 -0.50 1.53 -1.64 0.04 0.00 0.00 177.00 176.43 2qae s MET 321 N -5.08 3.94 0.08 4.56 -1.94 -1.26 -4.88 119.30 114.73 2qae s MET 321 Ca 0.54 -2.10 0.03 0.00 -1.71 0.00 0.00 55.69 52.45 2qae s MET 321 Cb -0.11 -5.28 -0.03 0.00 2.01 0.00 0.00 34.83 31.42 2qae s MET 321 CO 0.52 -2.02 -0.10 -0.51 -0.01 0.00 0.00 175.02 172.90 2qae s LEU 322 N 3.15 2.35 0.12 -0.03 1.43 -1.26 -5.04 118.68 119.40 2qae s LEU 322 Ca 0.47 -0.73 -0.15 0.00 -1.03 0.00 0.00 54.13 52.69 2qae s LEU 322 Cb 0.00 -0.28 -0.04 0.00 0.03 0.00 0.00 46.19 45.91 2qae s LEU 322 CO 0.01 -0.24 1.55 0.00 0.23 0.00 0.00 176.35 177.90 2qae h ALA 323 N 3.88 0.50 0.00 4.21 0.00 -1.99 -2.57 119.26 123.30 2qae h ALA 323 Ca -0.37 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.22 2qae h ALA 323 Cb 1.19 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 2qae h ALA 323 CO 0.48 0.30 -0.22 1.12 0.00 0.00 0.00 179.25 180.93 2qae h HIS 324 N 0.48 0.00 -0.11 0.00 -0.00 -1.97 0.59 115.15 114.14 2qae h HIS 324 Ca 0.10 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.45 2qae h HIS 324 Cb 0.51 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.92 2qae h HIS 324 CO 0.04 0.22 0.00 -0.22 -0.00 0.00 0.00 177.93 177.98 2qae h LYS 325 N 0.00 0.20 -0.88 5.12 3.64 -1.84 -0.92 116.57 121.89 2qae h LYS 325 Ca -0.00 -0.06 0.02 0.00 -1.27 0.00 0.00 60.65 59.34 2qae h LYS 325 Cb 0.45 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.21 2qae h LYS 325 CO 0.03 0.44 0.58 0.00 -2.27 0.00 0.00 179.45 178.23 2qae h ALA 326 N 0.75 1.14 -0.51 5.00 0.00 -1.03 0.06 119.26 124.68 2qae h ALA 326 Ca 0.03 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2qae h ALA 326 Cb 0.35 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2qae h ALA 326 CO 0.01 0.48 0.18 1.49 0.00 0.00 0.00 179.25 181.40 2qae h GLU 327 N 1.16 0.77 -0.12 0.00 4.81 -0.74 0.16 114.58 120.62 2qae h GLU 327 Ca 0.34 -0.15 -0.12 0.00 -0.13 0.00 0.00 59.36 59.29 2qae h GLU 327 Cb -0.07 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.18 2qae h GLU 327 CO -0.09 0.70 -0.47 -0.44 -0.73 0.00 0.00 179.01 177.98 2qae h ASP 328 N 0.68 0.32 -0.17 1.04 3.45 -0.70 -1.23 116.42 119.81 2qae h ASP 328 Ca 0.17 -0.15 -0.10 0.00 0.43 0.00 0.00 57.03 57.37 2qae h ASP 328 Cb 0.24 -0.09 -0.01 0.00 -0.56 0.00 0.00 39.33 38.90 2qae h ASP 328 CO -0.01 0.75 -0.23 -0.33 -1.57 0.00 0.00 179.24 177.84 2qae h GLU 329 N 0.24 0.62 -0.40 3.56 5.08 -0.71 -1.33 114.58 121.64 2qae h GLU 329 Ca 0.01 -0.24 -0.03 0.00 -1.00 0.00 0.00 59.36 58.10 2qae h GLU 329 Cb 0.93 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.13 2qae h GLU 329 CO 0.08 0.81 0.14 0.78 -1.00 0.00 0.00 179.01 179.81 2qae h GLY 330 N 1.00 0.66 0.84 -3.84 0.00 -0.01 0.16 103.07 101.89 2qae h GLY 330 Ca 0.08 -0.38 -0.00 0.00 0.00 0.00 0.00 47.33 47.03 2qae h GLY 330 CO 0.05 0.36 0.01 -2.08 0.00 0.00 0.00 176.54 174.88 2qae h VAL 331 N 0.50 1.13 -0.59 4.60 2.07 -1.10 -1.24 116.25 121.63 2qae h VAL 331 Ca 0.13 -0.38 0.02 0.00 0.82 0.00 0.00 66.70 67.29 2qae h VAL 331 Cb 0.24 1.36 -0.04 0.00 -1.52 0.00 0.00 31.29 31.33 2qae h VAL 331 CO -0.01 0.10 0.37 0.00 0.02 0.00 0.00 177.57 178.05 2qae h ALA 332 N 0.85 0.76 -0.35 1.67 0.00 -1.13 -0.44 119.26 120.61 2qae h ALA 332 Ca 0.01 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2qae h ALA 332 Cb 0.16 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2qae h ALA 332 CO -0.00 0.11 0.11 0.00 0.00 0.00 0.00 179.25 179.47 2qae h ALA 334 N 0.95 0.97 -0.42 0.00 0.00 -0.89 -0.13 119.26 119.74 2qae h ALA 334 Ca 0.11 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2qae h ALA 334 Cb 0.26 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2qae h ALA 334 CO -0.00 0.26 0.19 0.93 0.00 0.00 0.00 179.25 180.63 2qae h GLU 335 N 0.91 0.61 -0.47 0.00 5.08 -0.71 -2.24 114.58 117.76 2qae h GLU 335 Ca 0.30 -0.10 0.01 0.00 -1.00 0.00 0.00 59.36 58.57 2qae h GLU 335 Cb 0.02 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 2qae h GLU 335 CO -0.11 0.54 0.30 0.82 -1.00 0.00 0.00 179.01 179.56 2qae h ILE 336 N 0.53 1.08 0.00 3.13 2.04 -0.34 0.53 117.51 124.48 2qae h ILE 336 Ca 0.14 -0.21 -0.00 0.00 1.00 0.00 0.00 64.86 65.79 2qae h ILE 336 Cb 0.14 0.43 -0.00 0.00 -0.74 0.00 0.00 36.82 36.65 2qae h ILE 336 CO -0.02 0.11 -0.02 -0.07 0.00 0.00 0.00 178.15 178.15 2qae h LEU 337 N 0.60 0.00 -1.39 1.44 3.38 -0.71 -1.23 115.31 117.41 2qae h LEU 337 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 2qae h LEU 337 Cb -0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.72 2qae h LEU 337 CO -0.06 0.02 0.00 0.00 0.09 0.00 0.00 178.44 178.49 2qae n ALA 338 N -2.17 2.49 -0.62 1.53 0.00 -0.58 -4.90 120.51 116.26 2qae n ALA 338 Ca -0.02 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 52.78 2qae n ALA 338 Cb 0.14 -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 1.20 0.67 3.90 0.00 0.00 -0.46 -5.06 105.19 105.43 2qae n GLY 339 Ca 0.16 -0.22 -0.23 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.66 3.20 -0.70 1.61 1.02 0.07 -4.99 119.74 119.29 2qae s LYS 340 Ca 0.00 -0.84 -0.25 0.00 0.02 0.00 0.00 55.97 54.90 2qae s LYS 340 Cb 0.00 -2.77 0.04 0.00 -0.52 0.00 0.00 37.83 34.59 2qae s LYS 340 CO 0.00 0.44 1.16 -1.25 -0.92 0.00 0.00 175.35 174.79 2qae s PRO 341 N -3.68 3.17 0.16 -1.68 0.04 -1.26 -3.13 135.00 128.62 2qae s PRO 341 Ca 0.33 -0.43 0.06 0.00 0.04 0.00 0.00 61.00 61.01 2qae s PRO 341 Cb -0.09 -4.19 -0.04 0.00 0.04 0.00 0.00 34.50 30.22 2qae s PRO 341 CO 0.27 -2.01 0.05 0.20 0.04 0.00 0.00 177.00 175.55 2qae s GLY 342 N 3.68 1.74 -0.05 0.56 0.00 -1.26 -4.94 107.32 107.05 2qae s GLY 342 Ca 0.31 -1.29 -0.30 0.00 0.00 0.00 0.00 44.72 43.44 2qae s GLY 342 CO 0.14 -1.30 0.93 -2.38 0.00 0.00 0.00 173.10 170.49 2qae s HIS 343 N -1.71 -0.33 -0.00 1.90 -3.43 -1.26 -4.91 115.29 105.55 2qae s HIS 343 Ca 0.29 0.27 0.08 0.00 -0.80 0.00 0.00 55.06 54.90 2qae s HIS 343 Cb -0.10 0.52 -0.02 0.00 -1.43 0.00 0.00 32.58 31.55 2qae s HIS 343 CO 0.20 -0.48 -0.25 0.08 -2.00 0.00 0.00 174.74 172.29 2qae s VAL 344 N -2.72 2.00 -0.77 -5.38 1.01 -1.26 -4.86 120.40 108.42 2qae s VAL 344 Ca 0.04 -1.14 -0.16 0.00 0.00 0.00 0.00 61.98 60.72 2qae s VAL 344 Cb -0.01 -1.67 0.17 0.00 0.00 0.00 0.00 36.38 34.87 2qae s VAL 344 CO -0.07 0.51 0.78 0.21 0.00 0.00 0.00 175.10 176.53 2qae s ASN 345 N -0.75 6.57 0.30 3.32 3.84 -1.26 -4.89 114.94 122.07 2qae s ASN 345 Ca 0.10 -2.26 0.23 0.00 0.21 0.00 0.00 52.86 51.15 2qae s ASN 345 Cb -0.10 -2.26 1.10 0.00 -0.55 0.00 0.00 41.25 39.45 2qae s ASN 345 CO -0.00 -0.78 1.71 -1.22 -2.79 0.00 0.00 177.10 174.01 2qae n TYR 346 N 4.95 0.82 1.43 0.43 4.01 -1.26 -1.71 117.16 125.84 2qae n TYR 346 Ca 0.08 0.37 0.14 0.00 -0.16 0.00 0.00 57.90 58.33 2qae n TYR 346 Cb 0.46 -1.09 0.66 0.00 -0.31 0.00 0.00 39.34 39.06 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 -0.60 -1.02 2.31 2.72 0.00 -1.26 -4.24 105.19 103.09 2qae n GLY 347 Ca 0.00 -0.24 -0.25 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.03 0.29 -4.01 1.61 0.31 -0.69 -4.18 118.33 110.62 2qae n VAL 348 Ca 0.15 -4.36 -0.31 0.00 -0.01 0.00 0.00 64.34 59.81 2qae n VAL 348 Cb 0.26 -1.98 -0.16 0.00 -0.91 0.00 0.00 33.84 31.05 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 -1.47 1.71 0.77 2.52 1.01 -1.26 -4.89 121.20 119.60 2qae s ILE 349 Ca 0.36 -1.02 -0.12 0.00 0.00 0.00 0.00 60.65 59.87 2qae s ILE 349 Cb 0.14 -1.75 0.05 0.00 0.01 0.00 0.00 42.46 40.91 2qae s ILE 349 CO -0.09 0.21 1.11 -2.16 0.00 0.00 0.00 174.94 174.01 2qae s PRO 350 N 1.37 2.29 -0.02 2.79 0.04 -1.26 -4.58 135.00 135.64 2qae s PRO 350 Ca -0.01 0.51 0.01 0.00 0.04 0.00 0.00 61.00 61.55 2qae s PRO 350 Cb -0.16 -1.95 0.01 0.00 0.04 0.00 0.00 34.50 32.44 2qae s PRO 350 CO -0.09 -1.45 -0.01 0.00 0.04 0.00 0.00 177.00 175.50 2qae s ALA 351 N -3.27 0.22 0.02 8.56 0.00 -0.42 -4.99 121.76 121.89 2qae s ALA 351 Ca 0.60 0.06 0.05 0.00 0.00 0.00 0.00 51.96 52.67 2qae s ALA 351 Cb -0.13 -0.18 -0.02 0.00 0.00 0.00 0.00 23.12 22.79 2qae s ALA 351 CO 0.53 -0.02 -0.14 0.08 0.00 0.00 0.00 175.76 176.21 2qae s VAL 352 N 0.51 1.07 -0.19 0.00 1.01 -1.26 -1.30 120.40 120.25 2qae s VAL 352 Ca -0.05 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.08 2qae s VAL 352 Cb -0.08 -0.95 0.02 0.00 0.00 0.00 0.00 36.38 35.37 2qae s VAL 352 CO -0.01 0.09 -0.17 -0.63 0.00 0.00 0.00 175.10 174.38 2qae s ILE 353 N -0.68 2.29 -0.23 2.22 1.01 0.67 -4.99 121.20 121.50 2qae s ILE 353 Ca 0.02 -0.88 0.01 0.00 0.00 0.00 0.00 60.65 59.80 2qae s ILE 353 Cb -0.07 -1.99 0.30 0.00 0.01 0.00 0.00 42.46 40.71 2qae s ILE 353 CO 0.01 0.50 1.53 -1.22 0.00 0.00 0.00 174.94 175.76 2qae n TYR 354 N 4.65 1.48 -0.87 3.97 4.01 -1.26 -1.98 117.16 127.15 2qae n TYR 354 Ca -0.20 -1.28 -0.13 0.00 -0.16 0.00 0.00 57.90 56.13 2qae n TYR 354 Cb 0.50 -0.65 0.10 0.00 -0.31 0.00 0.00 39.34 38.99 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 -0.18 0.00 -3.77 -0.72 -2.24 -1.26 -4.92 114.28 101.18 2qae n THR 355 Ca 0.29 -0.25 -0.26 0.00 -2.27 0.00 0.00 64.05 61.55 2qae n THR 355 Cb 0.98 -1.24 -0.17 0.00 -2.10 0.00 0.00 70.33 67.81 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 -4.11 0.78 0.83 -0.78 1.75 -1.26 -2.75 119.30 113.77 2qae s MET 356 Ca 0.31 -0.27 -0.11 0.00 -1.25 0.00 0.00 55.69 54.38 2qae s MET 356 Cb -0.03 -1.73 0.10 0.00 2.84 0.00 0.00 34.83 36.01 2qae s MET 356 CO 0.23 -0.50 1.13 -1.25 -0.65 0.00 0.00 175.02 173.98 2qae s PRO 357 N 1.86 1.69 0.54 4.11 0.04 -1.26 -4.86 135.00 137.11 2qae s PRO 357 Ca 0.01 1.39 -0.07 0.00 0.04 0.00 0.00 61.00 62.38 2qae s PRO 357 Cb -0.15 -1.82 -0.02 0.00 0.04 0.00 0.00 34.50 32.55 2qae s PRO 357 CO -0.07 -2.11 0.87 -1.21 0.04 0.00 0.00 177.00 174.52 2qae s GLU 358 N -4.70 3.36 -0.05 4.56 2.02 0.36 -4.83 118.70 119.42 2qae s GLU 358 Ca 0.65 0.25 0.03 0.00 0.02 0.00 0.00 54.97 55.91 2qae s GLU 358 Cb -0.21 -2.29 0.01 0.00 0.10 0.00 0.00 34.13 31.74 2qae s GLU 358 CO 0.56 -0.43 -0.14 0.08 0.02 0.00 0.00 175.26 175.35 2qae s VAL 359 N -2.90 1.25 -0.01 2.63 1.01 -0.84 -1.68 120.40 119.86 2qae s VAL 359 Ca 0.51 -0.58 0.01 0.00 0.00 0.00 0.00 61.98 61.91 2qae s VAL 359 Cb -0.10 -1.11 0.00 0.00 0.00 0.00 0.00 36.38 35.17 2qae s VAL 359 CO 0.47 0.37 -0.03 0.00 0.00 0.00 0.00 175.10 175.91 2qae s ALA 360 N 0.36 0.29 0.02 5.51 0.00 -0.17 -0.24 121.76 127.53 2qae s ALA 360 Ca -0.09 -0.09 -0.00 0.00 0.00 0.00 0.00 51.96 51.77 2qae s ALA 360 Cb -0.13 -0.11 -0.02 0.00 0.00 0.00 0.00 23.12 22.85 2qae s ALA 360 CO 0.03 0.05 -0.02 -1.12 0.00 0.00 0.00 175.76 174.69 2qae s SER 361 N 0.11 0.22 -0.10 0.00 0.01 -0.42 -0.40 113.70 113.13 2qae s SER 361 Ca -0.01 -0.47 -0.15 0.00 1.31 0.00 0.00 55.95 56.63 2qae s SER 361 Cb -0.03 0.10 0.03 0.00 0.21 0.00 0.00 66.02 66.33 2qae s SER 361 CO -0.00 -0.29 0.38 0.54 0.41 0.00 0.00 173.24 174.28 2qae s VAL 362 N -1.39 0.02 0.00 3.43 0.11 -0.65 -1.30 120.40 120.62 2qae s VAL 362 Ca -0.15 -0.17 0.00 0.00 -2.93 0.00 0.00 61.98 58.73 2qae s VAL 362 Cb -0.09 -0.60 0.00 0.00 -1.53 0.00 0.00 36.38 34.15 2qae s VAL 362 CO -0.01 -0.09 0.00 0.61 -3.33 0.00 0.00 175.10 172.28 2qae n GLY 363 N 2.19 -1.16 3.87 6.54 0.00 -1.26 -1.41 105.19 113.96 2qae n GLY 363 Ca -0.16 -1.38 -0.31 0.00 0.00 0.00 0.00 46.02 44.16 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 0.47 1.61 -0.14 0.05 -4.88 119.74 120.68 2qae s LYS 364 Ca 0.00 0.39 0.02 0.00 -1.36 0.00 0.00 55.97 55.02 2qae s LYS 364 Cb 0.00 -2.53 0.01 0.00 -1.68 0.00 0.00 37.83 33.63 2qae s LYS 364 CO 0.00 0.18 0.68 -1.54 -0.76 0.00 0.00 175.35 173.91 2qae s SER 365 N -2.63 5.65 0.15 2.83 1.04 -1.26 -4.26 113.70 115.21 2qae s SER 365 Ca 0.50 0.11 -0.14 0.00 0.48 0.00 0.00 55.95 56.90 2qae s SER 365 Cb -0.11 -1.24 0.03 0.00 0.10 0.00 0.00 66.02 64.80 2qae s SER 365 CO 0.24 -0.83 1.71 -0.33 0.98 0.00 0.00 173.24 175.00 2qae h GLU 366 N 0.34 0.71 -0.91 4.02 5.08 -1.98 -1.98 114.58 119.87 2qae h GLU 366 Ca -0.44 -0.12 0.16 0.00 -1.00 0.00 0.00 59.36 57.95 2qae h GLU 366 Cb 1.27 -0.12 -0.10 0.00 0.50 0.00 0.00 28.75 30.30 2qae h GLU 366 CO 0.55 0.63 0.50 -0.44 -1.00 0.00 0.00 179.01 179.25 2qae h ASP 367 N 0.63 0.62 -0.35 1.42 3.45 -1.96 0.12 116.42 120.36 2qae h ASP 367 Ca 0.16 0.09 -0.14 0.00 0.43 0.00 0.00 57.03 57.57 2qae h ASP 367 Cb 0.18 -0.01 -0.01 0.00 -0.56 0.00 0.00 39.33 38.93 2qae h ASP 367 CO -0.01 0.24 -0.35 -0.33 -1.57 0.00 0.00 179.24 177.22 2qae h GLU 368 N 0.68 0.85 -0.68 3.56 5.08 -1.85 -1.74 114.58 120.47 2qae h GLU 368 Ca 0.50 -0.45 -0.06 0.00 -1.00 0.00 0.00 59.36 58.35 2qae h GLU 368 Cb 0.73 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.97 2qae h GLU 368 CO -0.37 1.09 0.18 -0.07 -1.00 0.00 0.00 179.01 178.84 2qae h LEU 369 N 0.64 1.01 -0.21 1.33 3.38 -0.48 0.06 115.31 121.04 2qae h LEU 369 Ca 0.05 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 2qae h LEU 369 Cb 0.94 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 2qae h LEU 369 CO 0.09 0.96 0.09 0.11 0.09 0.00 0.00 178.44 179.78 2qae h LYS 370 N 1.02 0.31 -0.78 1.13 1.57 -0.79 -0.71 116.57 118.31 2qae h LYS 370 Ca 0.22 -0.05 0.07 0.00 -1.87 0.00 0.00 60.65 59.02 2qae h LYS 370 Cb 0.34 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.55 2qae h LYS 370 CO -0.00 0.36 0.51 -0.22 -0.57 0.00 0.00 179.45 179.53 2qae h LYS 371 N 0.18 0.78 -0.03 3.15 3.64 -0.78 -1.54 116.57 121.96 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 0.17 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 2qae h LYS 371 CO -0.01 0.52 0.00 0.39 -2.27 0.00 0.00 179.45 178.08 2qae n GLU 372 N -4.49 1.59 -1.89 1.90 1.02 -0.04 -4.94 120.64 113.79 2qae n GLU 372 Ca 0.12 -0.87 -0.14 0.00 -0.02 0.00 0.00 57.16 56.25 2qae n GLU 372 Cb 0.25 -1.47 -0.03 0.00 -0.02 0.00 0.00 31.44 30.17 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 1.14 0.51 3.74 0.62 0.00 -0.37 -4.99 105.19 105.84 2qae n GLY 373 Ca 0.19 -0.33 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.62 4.53 -0.27 1.61 1.01 -0.61 -5.01 120.40 119.04 2qae s VAL 374 Ca 0.00 1.95 -0.23 0.00 0.00 0.00 0.00 61.98 63.70 2qae s VAL 374 Cb 0.00 -4.27 -0.01 0.00 0.00 0.00 0.00 36.38 32.11 2qae s VAL 374 CO 0.00 0.35 0.74 0.00 0.00 0.00 0.00 175.10 176.18 2qae s ALA 375 N -0.13 3.60 0.19 5.51 0.00 -1.26 -4.71 121.76 124.96 2qae s ALA 375 Ca 0.44 -0.35 0.04 0.00 0.00 0.00 0.00 51.96 52.09 2qae s ALA 375 Cb -0.23 -3.19 -0.05 0.00 0.00 0.00 0.00 23.12 19.65 2qae s ALA 375 CO 0.28 -0.97 -0.05 1.52 0.00 0.00 0.00 175.76 176.55 2qae s TYR 376 N 2.74 1.41 0.08 0.00 -0.85 -1.26 -1.23 117.35 118.25 2qae s TYR 376 Ca 0.31 -0.85 0.09 0.00 -0.52 0.00 0.00 57.07 56.09 2qae s TYR 376 Cb -0.15 -0.78 -0.04 0.00 0.38 0.00 0.00 41.96 41.38 2qae s TYR 376 CO 0.09 0.01 -0.21 0.21 -1.52 0.00 0.00 175.55 174.13 2qae s LYS 377 N -3.81 1.80 -0.14 -3.49 2.20 0.34 -4.72 119.74 111.91 2qae s LYS 377 Ca 0.23 -1.14 0.00 0.00 -0.36 0.00 0.00 55.97 54.70 2qae s LYS 377 Cb 0.04 -2.07 -0.01 0.00 -1.51 0.00 0.00 37.83 34.28 2qae s LYS 377 CO 0.05 0.50 -0.14 0.08 -0.36 0.00 0.00 175.35 175.47 2qae s VAL 378 N -1.00 2.88 -0.15 4.02 1.01 -1.26 -0.88 120.40 125.02 2qae s VAL 378 Ca 0.15 -0.72 -0.01 0.00 0.00 0.00 0.00 61.98 61.40 2qae s VAL 378 Cb -0.10 -2.20 -0.01 0.00 0.00 0.00 0.00 36.38 34.06 2qae s VAL 378 CO 0.06 0.52 -0.11 -0.83 0.00 0.00 0.00 175.10 174.75 2qae s GLY 379 N 0.49 1.57 -0.03 4.51 0.00 0.52 -4.81 107.32 109.56 2qae s GLY 379 Ca -0.10 -0.93 0.01 0.00 0.00 0.00 0.00 44.72 43.70 2qae s GLY 379 CO 0.04 -0.07 -0.05 1.25 0.00 0.00 0.00 173.10 174.28 2qae s LYS 380 N 0.55 0.71 -0.09 2.90 2.20 -1.26 -0.72 119.74 124.04 2qae s LYS 380 Ca -0.07 -0.14 0.00 0.00 -0.36 0.00 0.00 55.97 55.40 2qae s LYS 380 Cb -0.15 -0.72 0.02 0.00 -1.51 0.00 0.00 37.83 35.47 2qae s LYS 380 CO 0.03 -0.01 -0.08 0.12 -0.36 0.00 0.00 175.35 175.06 2qae s PHE 381 N 0.56 1.34 0.24 4.03 2.19 -0.43 -4.88 117.98 121.03 2qae s PHE 381 Ca -0.07 -0.59 -0.20 0.00 0.33 0.00 0.00 56.93 56.40 2qae s PHE 381 Cb -0.11 -1.10 -0.08 0.00 -1.31 0.00 0.00 43.02 40.42 2qae s PHE 381 CO 0.00 -0.40 0.74 -1.25 1.83 0.00 0.00 175.22 176.14 2qae s PRO 382 N 1.37 4.25 0.14 10.12 0.04 -1.26 -1.09 135.00 148.58 2qae s PRO 382 Ca -0.02 0.89 0.18 0.00 0.04 0.00 0.00 61.00 62.09 2qae s PRO 382 Cb -0.14 -2.83 0.79 0.00 0.04 0.00 0.00 34.50 32.36 2qae s PRO 382 CO -0.04 0.36 1.56 1.19 0.04 0.00 0.00 177.00 180.11 2qae n PHE 383 N 0.61 0.43 1.49 0.56 3.01 -0.42 -1.34 117.46 121.81 2qae n PHE 383 Ca -0.01 0.18 0.09 0.00 1.01 0.00 0.00 57.45 58.72 2qae n PHE 383 Cb 0.51 -0.78 0.56 0.00 -0.01 0.00 0.00 39.48 39.75 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 -1.90 0.00 0.00 4.37 0.23 -1.18 -1.86 115.26 114.92 2qae n ASN 384 Ca 0.02 -0.91 0.00 0.00 -0.53 0.00 0.00 54.58 53.16 2qae n ASN 384 Cb 0.18 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.88 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 -0.89 2.26 -2.54 -2.53 0.00 -0.45 -4.92 120.51 111.43 2qae n ALA 385 Ca 0.14 -0.74 -0.38 0.00 0.00 0.00 0.00 53.44 52.46 2qae n ALA 385 Cb 0.06 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.46 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 -0.48 6.86 0.15 0.00 3.84 -0.78 -4.88 114.94 119.65 2qae s ASN 386 Ca 0.00 1.02 -0.20 0.00 0.21 0.00 0.00 52.86 53.89 2qae s ASN 386 Cb 0.00 -2.32 0.05 0.00 -0.55 0.00 0.00 41.25 38.43 2qae s ASN 386 CO 0.00 0.13 1.66 0.77 -2.79 0.00 0.00 177.10 176.87 2qae h SER 387 N 5.69 -0.52 -0.26 -4.21 4.64 -1.88 -0.92 113.55 116.09 2qae h SER 387 Ca -0.46 0.12 -0.13 0.00 -0.47 0.00 0.00 61.79 60.85 2qae h SER 387 Cb 1.20 0.28 -0.00 0.00 -0.31 0.00 0.00 62.40 63.57 2qae h SER 387 CO 0.69 -0.19 -0.36 -0.09 -0.87 0.00 0.00 176.83 176.01 2qae h ARG 388 N -0.12 0.69 -0.67 4.77 2.43 -1.83 -0.64 114.38 119.01 2qae h ARG 388 Ca 0.15 -0.40 0.00 0.00 -0.81 0.00 0.00 59.98 58.92 2qae h ARG 388 Cb 0.35 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.90 2qae h ARG 388 CO -0.37 1.02 0.43 0.00 -1.51 0.00 0.00 179.97 179.55 2qae h ALA 389 N 0.66 0.85 -0.40 2.80 0.00 -1.78 -1.58 119.26 119.82 2qae h ALA 389 Ca 0.03 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 2qae h ALA 389 Cb 0.94 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2qae h ALA 389 CO 0.08 0.28 -0.34 0.87 0.00 0.00 0.00 179.25 180.15 2qae h LYS 390 N 0.91 0.93 -0.73 0.00 1.57 -1.10 -0.15 116.57 118.00 2qae h LYS 390 Ca 0.24 -0.47 0.05 0.00 -1.87 0.00 0.00 60.65 58.60 2qae h LYS 390 Cb -0.09 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.18 2qae h LYS 390 CO -0.05 1.13 0.48 0.00 -0.57 0.00 0.00 179.45 180.43 2qae h ALA 391 N 0.78 1.63 -0.41 3.86 0.00 -0.54 -2.53 119.26 122.06 2qae h ALA 391 Ca 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2qae h ALA 391 Cb 0.93 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2qae h ALA 391 CO 0.09 0.28 0.00 1.33 0.00 0.00 0.00 179.25 180.94 2qae n VAL 392 N -4.47 0.77 -3.58 0.00 0.24 -0.65 -5.00 118.33 105.65 2qae n VAL 392 Ca 0.10 -0.89 -0.21 0.00 -2.04 0.00 0.00 64.34 61.30 2qae n VAL 392 Cb 0.17 0.69 0.07 0.00 -1.47 0.00 0.00 33.84 33.30 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 1.00 -3.59 -3.47 -1.34 2.88 -0.22 -4.95 113.62 103.93 2qae n SER 393 Ca 0.16 -0.64 -0.27 0.00 -1.33 0.00 0.00 58.87 56.79 2qae n SER 393 Cb 0.49 -4.80 -0.09 0.00 -0.75 0.00 0.00 64.21 59.06 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 -4.50 0.19 0.84 2.46 -2.24 -0.33 -4.97 114.28 105.73 2qae n THR 394 Ca -0.16 -4.21 0.10 0.00 -2.27 0.00 0.00 64.05 57.51 2qae n THR 394 Cb 0.62 -1.93 0.29 0.00 -2.10 0.00 0.00 70.33 67.21 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 1.95 2.01 -2.06 -0.78 1.02 -1.26 -4.72 120.64 116.80 2qae n GLU 395 Ca 0.25 -1.53 -0.36 0.00 -0.02 0.00 0.00 57.16 55.50 2qae n GLU 395 Cb 0.45 -1.42 0.02 0.00 -0.02 0.00 0.00 31.44 30.47 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 -1.42 5.42 0.00 1.62 -0.00 -1.26 -3.11 116.67 117.91 2qae s ASP 396 Ca 0.34 2.38 0.00 0.00 -0.00 0.00 0.00 52.55 55.27 2qae s ASP 396 Cb 0.18 -2.60 0.00 0.00 -0.00 0.00 0.00 42.92 40.50 2qae s ASP 396 CO 0.26 -1.44 0.00 0.61 -0.00 0.00 0.00 175.17 174.61 2qae n GLY 397 N 0.47 -1.82 3.79 0.21 0.00 -1.26 -4.49 105.19 102.10 2qae n GLY 397 Ca 0.12 -1.76 -0.03 0.00 0.00 0.00 0.00 46.02 44.35 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 -0.59 -1.30 117.98 116.86 2qae s PHE 398 Ca 0.00 -0.28 0.03 0.00 -1.04 0.00 0.00 56.93 55.63 2qae s PHE 398 Cb 0.00 0.66 -0.02 0.00 -1.21 0.00 0.00 43.02 42.45 2qae s PHE 398 CO 0.00 -0.86 -0.17 0.08 -1.34 0.00 0.00 175.22 172.93 2qae s VAL 399 N -2.88 2.77 -0.09 -2.49 1.01 -0.25 -1.21 120.40 117.26 2qae s VAL 399 Ca 0.15 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.35 2qae s VAL 399 Cb -0.02 -2.10 0.01 0.00 0.00 0.00 0.00 36.38 34.28 2qae s VAL 399 CO 0.03 0.56 -0.13 -0.75 0.00 0.00 0.00 175.10 174.81 2qae s LYS 400 N -0.14 1.94 -0.09 2.72 2.20 0.23 -1.32 119.74 125.28 2qae s LYS 400 Ca -0.02 -0.47 0.04 0.00 -0.36 0.00 0.00 55.97 55.16 2qae s LYS 400 Cb -0.14 -1.66 -0.01 0.00 -1.51 0.00 0.00 37.83 34.52 2qae s LYS 400 CO 0.04 -0.04 -0.22 0.08 -0.36 0.00 0.00 175.35 174.84 2qae s VAL 401 N 0.92 2.23 -0.18 4.02 1.01 0.10 -0.79 120.40 127.71 2qae s VAL 401 Ca -0.09 -0.97 -0.04 0.00 0.00 0.00 0.00 61.98 60.88 2qae s VAL 401 Cb -0.15 -1.85 -0.02 0.00 0.00 0.00 0.00 36.38 34.35 2qae s VAL 401 CO 0.00 0.56 -0.02 -0.76 0.00 0.00 0.00 175.10 174.88 2qae s LEU 402 N 0.17 3.19 0.16 3.92 1.43 -0.16 -0.36 118.68 127.04 2qae s LEU 402 Ca -0.13 -0.20 0.08 0.00 -1.03 0.00 0.00 54.13 52.85 2qae s LEU 402 Cb -0.16 -1.79 -0.04 0.00 0.03 0.00 0.00 46.19 44.23 2qae s LEU 402 CO 0.07 0.10 -0.17 0.68 0.23 0.00 0.00 176.35 177.26 2qae s VAL 403 N 0.76 1.70 -0.03 -1.59 -7.23 -0.05 -0.02 120.40 113.94 2qae s VAL 403 Ca -0.01 -1.90 -0.30 0.00 -1.81 0.00 0.00 61.98 57.97 2qae s VAL 403 Cb -0.14 -1.79 -0.06 0.00 0.56 0.00 0.00 36.38 34.95 2qae s VAL 403 CO 0.02 -0.36 1.62 -0.62 -0.31 0.00 0.00 175.10 175.45 2qae s ASP 404 N -2.67 6.69 0.61 4.85 2.15 -0.35 -0.51 116.67 127.43 2qae s ASP 404 Ca 0.15 2.25 0.33 0.00 0.43 0.00 0.00 52.55 55.70 2qae s ASP 404 Cb -0.05 -2.54 1.95 0.00 -0.30 0.00 0.00 42.92 41.98 2qae s ASP 404 CO 0.06 -0.89 2.27 0.07 -0.17 0.00 0.00 175.17 176.51 2qae h LYS 405 N 9.13 0.00 0.09 4.34 5.09 -1.45 -0.60 116.57 133.16 2qae h LYS 405 Ca -0.39 0.00 -0.23 0.00 0.09 0.00 0.00 60.65 60.12 2qae h LYS 405 Cb 1.18 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 33.50 2qae h LYS 405 CO 0.95 0.01 -1.18 0.00 -2.09 0.00 0.00 179.45 177.13 2qae h ALA 406 N 1.99 0.15 -0.02 0.07 0.00 -1.90 -3.41 119.26 116.14 2qae h ALA 406 Ca -0.00 -1.01 0.00 0.00 0.00 0.00 0.00 54.91 53.90 2qae h ALA 406 Cb 0.02 0.43 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2qae h ALA 406 CO 0.00 0.68 -0.11 0.25 0.00 0.00 0.00 179.25 180.06 2qae n THR 407 N -4.09 0.00 -0.98 0.00 -2.24 -1.15 -4.98 114.28 100.84 2qae n THR 407 Ca -0.23 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.10 2qae n THR 407 Cb 0.82 1.26 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 0.48 -4.48 -4.74 3.42 4.64 -0.24 -4.96 116.55 110.66 2qae n ASP 408 Ca 0.08 0.00 -0.41 0.00 -1.38 0.00 0.00 54.79 53.08 2qae n ASP 408 Cb 0.35 -2.28 -0.03 0.00 -1.04 0.00 0.00 41.12 38.12 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 -1.18 4.51 -0.01 -0.67 3.52 -1.26 -1.40 118.95 122.46 2qae s ARG 409 Ca 0.00 1.89 -0.30 0.00 -0.13 0.00 0.00 55.73 57.19 2qae s ARG 409 Cb 0.00 -3.22 -0.05 0.00 -1.56 0.00 0.00 34.95 30.12 2qae s ARG 409 CO 0.00 -0.05 1.40 0.42 -0.81 0.00 0.00 175.30 176.26 2qae s ILE 410 N -0.31 3.75 -0.04 4.11 1.01 -0.43 -1.21 121.20 128.07 2qae s ILE 410 Ca 0.51 1.11 0.16 0.00 0.00 0.00 0.00 60.65 62.44 2qae s ILE 410 Cb -0.33 -3.71 -0.25 0.00 0.01 0.00 0.00 42.46 38.18 2qae s ILE 410 CO 0.38 -0.01 0.32 0.18 0.00 0.00 0.00 174.94 175.81 2qae n LEU 411 N 5.55 0.00 -3.57 2.97 4.77 0.97 -4.91 117.00 122.78 2qae n LEU 411 Ca 0.13 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 56.02 2qae n LEU 411 Cb 0.44 0.06 -0.04 0.00 -2.33 0.00 0.00 43.42 41.55 2qae n LEU 411 CO 0.58 0.06 0.81 -0.83 -1.33 0.00 0.00 177.39 176.68 2qae s GLY 412 N -4.09 -0.29 -0.02 -0.72 0.00 -1.15 -0.77 107.32 100.28 2qae s GLY 412 Ca -0.06 1.83 0.00 0.00 0.00 0.00 0.00 44.72 46.49 2qae s GLY 412 CO 0.69 0.84 0.02 0.14 0.00 0.00 0.00 173.10 174.79 2qae s VAL 413 N -1.65 -0.01 -0.05 1.40 1.01 -0.50 -0.99 120.40 119.61 2qae s VAL 413 Ca 0.01 0.16 0.01 0.00 0.00 0.00 0.00 61.98 62.16 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 -0.02 0.08 -0.04 -1.00 0.00 0.00 0.00 175.10 174.12 2qae s HIS 414 N 0.86 0.77 -0.03 5.22 3.76 0.03 -1.64 115.29 124.26 2qae s HIS 414 Ca -0.07 -0.22 0.03 0.00 -0.15 0.00 0.00 55.06 54.65 2qae s HIS 414 Cb -0.11 -0.69 -0.00 0.00 1.11 0.00 0.00 32.58 32.89 2qae s HIS 414 CO -0.02 -0.21 -0.13 0.42 -0.85 0.00 0.00 174.74 173.95 2qae s ILE 415 N 0.99 1.07 -0.18 0.60 1.01 0.46 -0.60 121.20 124.55 2qae s ILE 415 Ca -0.10 -0.53 -0.00 0.00 0.00 0.00 0.00 60.65 60.02 2qae s ILE 415 Cb -0.14 -0.92 0.04 0.00 0.01 0.00 0.00 42.46 41.45 2qae s ILE 415 CO -0.00 0.32 -0.07 -0.69 0.00 0.00 0.00 174.94 174.50 2qae s VAL 416 N 0.05 1.25 -0.05 2.92 1.01 -0.35 -1.00 120.40 124.24 2qae s VAL 416 Ca -0.02 -0.74 -0.30 0.00 0.00 0.00 0.00 61.98 60.92 2qae s VAL 416 Cb -0.09 -1.41 0.11 0.00 0.00 0.00 0.00 36.38 34.99 2qae s VAL 416 CO 0.01 0.13 1.34 0.00 0.00 0.00 0.00 175.10 176.58 2qae h THR 418 N 2.00 0.00 0.00 0.00 1.35 -1.85 0.11 112.91 114.52 2qae h THR 418 Ca -0.25 -0.19 -0.05 0.00 -0.55 0.00 0.00 66.41 65.37 2qae h THR 418 Cb 1.19 1.16 -0.10 0.00 -1.73 0.00 0.00 68.15 68.66 2qae h THR 418 CO 0.30 0.00 -0.53 0.41 -0.25 0.00 0.00 175.52 175.45 2qae n THR 419 N -3.01 1.12 -0.36 6.82 -1.04 -1.26 -4.55 114.28 112.00 2qae n THR 419 Ca -0.01 -1.80 0.07 0.00 -2.04 0.00 0.00 64.05 60.27 2qae n THR 419 Cb 0.16 0.23 0.24 0.00 -1.82 0.00 0.00 70.33 69.14 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 0.58 1.50 -0.85 2.41 0.00 -1.80 -2.37 119.26 118.73 2qae h ALA 420 Ca -0.06 0.03 0.08 0.00 0.00 0.00 0.00 54.91 54.96 2qae h ALA 420 Cb 1.32 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 18.85 2qae h ALA 420 CO 0.03 0.19 0.51 0.78 0.00 0.00 0.00 179.25 180.75 2qae h GLY 421 N 0.96 1.30 1.73 0.00 0.00 -1.87 -1.88 103.07 103.31 2qae h GLY 421 Ca 0.50 -0.35 -0.17 0.00 0.00 0.00 0.00 47.33 47.31 2qae h GLY 421 CO -0.28 0.19 -0.93 0.83 0.00 0.00 0.00 176.54 176.35 2qae h GLU 422 N 0.88 0.00 -0.05 4.80 4.39 -1.89 -3.31 114.58 119.40 2qae h GLU 422 Ca 0.39 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.99 2qae h GLU 422 Cb 0.28 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 2qae h GLU 422 CO -0.21 0.62 -0.44 -0.07 -1.16 0.00 0.00 179.01 177.75 2qae h LEU 423 N 0.00 0.12 -2.24 1.33 3.38 -0.92 -3.23 115.31 113.76 2qae h LEU 423 Ca -0.06 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 2qae h LEU 423 Cb 1.60 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 42.32 2qae h LEU 423 CO 0.08 0.54 -0.06 -0.29 0.09 0.00 0.00 178.44 178.81 2qae h ILE 424 N 0.09 0.40 -0.97 1.22 6.09 -1.45 -2.67 117.51 120.22 2qae h ILE 424 Ca 0.01 -0.29 0.04 0.00 -1.37 0.00 0.00 64.86 63.25 2qae h ILE 424 Cb 0.81 1.20 -0.06 0.00 0.47 0.00 0.00 36.82 39.25 2qae h ILE 424 CO 0.06 0.05 0.63 1.23 -3.07 0.00 0.00 178.15 177.06 2qae h GLY 425 N 0.56 1.43 0.99 8.18 0.00 -1.76 0.17 103.07 112.64 2qae h GLY 425 Ca -0.00 -0.48 0.01 0.00 0.00 0.00 0.00 47.33 46.86 2qae h GLY 425 CO 0.01 0.40 0.60 -2.09 0.00 0.00 0.00 176.54 175.45 2qae h GLU 426 N 1.21 1.17 -0.37 4.80 4.81 -1.70 -1.44 114.58 123.06 2qae h GLU 426 Ca 0.39 -0.07 -0.12 0.00 -0.13 0.00 0.00 59.36 59.44 2qae h GLU 426 Cb 0.03 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.13 2qae h GLU 426 CO -0.13 0.78 -0.24 0.00 -0.73 0.00 0.00 179.01 178.69 2qae h ALA 427 N 1.34 0.88 -0.43 2.92 0.00 -1.23 -1.77 119.26 120.97 2qae h ALA 427 Ca 0.34 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2qae h ALA 427 Cb -0.12 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 2qae h ALA 427 CO -0.08 0.63 0.16 0.00 0.00 0.00 0.00 179.25 179.96 2qae h LEU 429 N 0.55 1.00 -0.32 0.00 5.85 -1.16 -0.06 115.31 121.17 2qae h LEU 429 Ca 0.14 -0.22 0.04 0.00 0.84 0.00 0.00 57.88 58.68 2qae h LEU 429 Cb 0.21 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 2qae h LEU 429 CO -0.01 0.96 0.10 0.00 -0.34 0.00 0.00 178.44 179.15 2qae h ALA 430 N 1.09 0.36 -0.05 1.25 0.00 -1.10 -1.67 119.26 119.14 2qae h ALA 430 Ca 0.22 0.04 -0.17 0.00 0.00 0.00 0.00 54.91 55.00 2qae h ALA 430 Cb 0.32 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2qae h ALA 430 CO -0.00 -0.30 -0.70 0.52 0.00 0.00 0.00 179.25 178.77 2qae h MET 431 N 0.23 0.26 -0.73 0.00 2.86 -0.83 0.12 114.93 116.84 2qae h MET 431 Ca 0.14 -0.21 0.04 0.00 -2.06 0.00 0.00 59.70 57.61 2qae h MET 431 Cb 0.13 0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.79 2qae h MET 431 CO -0.16 0.86 0.48 1.49 1.06 0.00 0.00 176.91 180.64 2qae h GLU 432 N 0.18 0.85 -0.00 1.72 4.57 -0.72 -1.21 114.58 119.96 2qae h GLU 432 Ca -0.02 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 2qae h GLU 432 Cb 1.25 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 29.65 2qae h GLU 432 CO 0.11 0.56 -0.14 0.66 -1.18 0.00 0.00 179.01 179.02 2qae n TYR 433 N -4.46 0.00 -2.39 0.92 4.01 -0.65 -4.94 117.16 109.65 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 0.13 -0.17 0.00 0.00 -0.31 0.00 0.00 39.34 39.00 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 1.29 -0.06 3.74 2.72 0.00 -0.46 -4.98 105.19 107.44 2qae n GLY 434 Ca 0.14 -0.35 -0.33 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.69 2.15 0.34 4.61 0.00 -0.05 -4.81 121.76 121.30 2qae s ALA 435 Ca 0.06 0.60 0.07 0.00 0.00 0.00 0.00 51.96 52.69 2qae s ALA 435 Cb -0.03 -3.38 -0.01 0.00 0.00 0.00 0.00 23.12 19.70 2qae s ALA 435 CO 0.08 -1.81 0.45 -1.54 0.00 0.00 0.00 175.76 172.94 2qae s SER 436 N -2.60 5.86 0.47 0.00 1.04 -1.26 -1.32 113.70 115.90 2qae s SER 436 Ca 0.68 -0.25 0.18 0.00 0.48 0.00 0.00 55.95 57.04 2qae s SER 436 Cb -0.23 -1.15 1.16 0.00 0.10 0.00 0.00 66.02 65.90 2qae s SER 436 CO 0.48 -0.45 2.03 0.77 0.98 0.00 0.00 173.24 177.06 2qae h SER 437 N 0.92 0.00 0.10 7.02 4.64 -1.56 -2.30 113.55 122.37 2qae h SER 437 Ca -0.45 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.73 2qae h SER 437 Cb 1.26 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.34 2qae h SER 437 CO 0.53 0.15 -0.49 -0.08 -0.87 0.00 0.00 176.83 176.07 2qae h GLU 438 N 0.00 0.44 -0.67 4.77 4.81 -1.83 0.22 114.58 122.32 2qae h GLU 438 Ca -0.00 -0.25 0.05 0.00 -0.13 0.00 0.00 59.36 59.03 2qae h GLU 438 Cb 0.29 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.64 2qae h GLU 438 CO 0.02 0.83 0.38 -0.44 -0.73 0.00 0.00 179.01 179.08 2qae h ASP 439 N 0.35 0.59 0.16 1.04 3.45 -1.80 -0.42 116.42 119.78 2qae h ASP 439 Ca 0.02 0.02 -0.30 0.00 0.43 0.00 0.00 57.03 57.20 2qae h ASP 439 Cb 0.99 -0.10 0.03 0.00 -0.56 0.00 0.00 39.33 39.69 2qae h ASP 439 CO 0.09 0.39 -1.27 0.58 -1.57 0.00 0.00 179.24 177.46 2qae h VAL 440 N 0.72 1.30 0.00 -1.35 2.07 -1.48 -3.23 116.25 114.28 2qae h VAL 440 Ca 0.29 -2.52 -0.02 0.00 0.82 0.00 0.00 66.70 65.27 2qae h VAL 440 Cb 0.14 2.83 -0.00 0.00 -1.52 0.00 0.00 31.29 32.74 2qae h VAL 440 CO -0.16 0.76 -0.11 1.23 0.02 0.00 0.00 177.57 179.31 2qae h GLY 441 N 0.18 0.00 -1.31 2.17 0.00 -0.30 -2.13 103.07 101.68 2qae h GLY 441 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.13 2qae h GLY 441 CO 0.24 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.32 2qae n ARG 442 N -3.79 2.03 -2.93 4.80 1.74 -0.19 -4.88 116.66 113.44 2qae n ARG 442 Ca -0.02 -1.52 -0.39 0.00 -0.77 0.00 0.00 57.85 55.16 2qae n ARG 442 Cb 0.21 -1.46 -0.06 0.00 -1.02 0.00 0.00 32.46 30.13 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 -1.87 4.32 -0.05 0.55 2.01 -0.80 -5.01 115.64 114.80 2qae s THR 443 Ca 0.34 1.72 -0.30 0.00 0.31 0.00 0.00 61.69 63.76 2qae s THR 443 Cb 0.20 -4.11 -0.04 0.00 0.01 0.00 0.00 72.50 68.57 2qae s THR 443 CO 0.31 0.41 1.26 0.00 -0.69 0.00 0.00 174.62 175.91 2qae s HIS 445 N 2.33 2.77 0.57 0.00 3.76 -1.26 -5.09 115.29 118.36 2qae s HIS 445 Ca 0.58 -0.11 -0.21 0.00 -0.15 0.00 0.00 55.06 55.17 2qae s HIS 445 Cb -0.26 -1.60 -0.04 0.00 1.11 0.00 0.00 32.58 31.78 2qae s HIS 445 CO 0.23 0.28 1.31 0.00 -0.85 0.00 0.00 174.74 175.70 2qae s ALA 446 N -0.87 2.69 -0.08 -1.40 0.00 -1.26 -4.97 121.76 115.88 2qae s ALA 446 Ca 0.14 1.23 0.04 0.00 0.00 0.00 0.00 51.96 53.37 2qae s ALA 446 Cb -0.11 -3.53 -0.00 0.00 0.00 0.00 0.00 23.12 19.48 2qae s ALA 446 CO 0.04 -1.33 -0.22 -1.58 0.00 0.00 0.00 175.76 172.66 2qae s HIS 447 N -1.38 2.30 -0.17 0.00 5.04 -1.26 -3.12 115.29 116.69 2qae s HIS 447 Ca 0.74 -0.84 -0.17 0.00 -1.54 0.00 0.00 55.06 53.25 2qae s HIS 447 Cb -0.37 -1.54 -0.04 0.00 0.04 0.00 0.00 32.58 30.67 2qae s HIS 447 CO 0.43 -0.32 0.44 -1.25 -2.34 0.00 0.00 174.74 171.70 2qae s PRO 448 N 0.21 4.24 0.04 2.88 0.04 -1.26 -5.15 135.00 136.00 2qae s PRO 448 Ca -0.13 0.32 -0.02 0.00 0.04 0.00 0.00 61.00 61.21 2qae s PRO 448 Cb -0.16 -3.50 -0.03 0.00 0.04 0.00 0.00 34.50 30.86 2qae s PRO 448 CO 0.06 0.03 0.01 0.95 0.04 0.00 0.00 177.00 178.10 2qae s THR 449 N 1.06 0.17 0.24 1.26 -4.23 -1.18 -4.68 115.64 108.27 2qae s THR 449 Ca 0.22 -1.37 0.33 0.00 -1.18 0.00 0.00 61.69 59.69 2qae s THR 449 Cb -0.15 -1.03 0.36 0.00 1.34 0.00 0.00 72.50 73.02 2qae s THR 449 CO 0.09 -0.76 2.03 0.24 -0.54 0.00 0.00 174.62 175.68 2qae h MET 450 N 3.64 0.00 0.00 3.99 2.86 -1.95 -2.37 114.93 121.10 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 0.06 0.00 0.66 1.06 0.00 0.00 176.91 179.24 2qae h SER 451 N 0.00 0.00 0.38 1.22 4.64 -1.95 -1.24 113.55 116.60 2qae h SER 451 Ca -0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 2qae h SER 451 Cb 0.45 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.54 2qae h SER 451 CO 0.01 0.00 -0.10 -0.33 -0.87 0.00 0.00 176.83 175.54 2qae h GLU 452 N 0.00 0.00 -0.01 4.77 5.08 -1.69 -1.25 114.58 121.48 2qae h GLU 452 Ca 0.00 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 2qae h GLU 452 Cb 0.13 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 2qae h GLU 452 CO 0.00 0.10 -0.52 0.00 -1.00 0.00 0.00 179.01 177.59 2qae h ALA 453 N 1.90 1.13 -0.20 3.43 0.00 -1.42 0.44 119.26 124.55 2qae h ALA 453 Ca -0.00 -0.47 -0.14 0.00 0.00 0.00 0.00 54.91 54.30 2qae h ALA 453 Cb 0.31 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2qae h ALA 453 CO 0.01 0.65 -0.42 1.25 0.00 0.00 0.00 179.25 180.75 2qae h LEU 454 N 0.01 0.71 -0.35 0.00 5.85 -1.37 -0.89 115.31 119.27 2qae h LEU 454 Ca -0.00 -0.55 0.02 0.00 0.84 0.00 0.00 57.88 58.18 2qae h LEU 454 Cb 0.92 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.72 2qae h LEU 454 CO 0.07 1.13 0.20 0.50 -0.34 0.00 0.00 178.44 180.00 2qae h LYS 455 N 0.32 0.39 0.00 1.25 3.64 -1.19 -1.31 116.57 119.67 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 1.02 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.73 2qae h LYS 455 CO 0.09 0.26 -0.69 0.93 -2.27 0.00 0.00 179.45 177.77 2qae h GLU 456 N 0.40 0.00 -0.31 1.90 5.08 -0.89 -0.83 114.58 119.93 2qae h GLU 456 Ca 0.14 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.41 2qae h GLU 456 Cb 0.02 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 2qae h GLU 456 CO -0.08 0.69 -0.19 0.00 -1.00 0.00 0.00 179.01 178.43 2qae h ALA 457 N 1.31 1.09 -0.55 3.43 0.00 -0.92 -0.76 119.26 122.86 2qae h ALA 457 Ca -0.01 -0.32 -0.12 0.00 0.00 0.00 0.00 54.91 54.46 2qae h ALA 457 Cb 1.22 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 2qae h ALA 457 CO 0.09 0.56 -0.11 0.00 0.00 0.00 0.00 179.25 179.79 2qae h MET 459 N 0.93 0.03 0.00 0.00 2.07 -0.56 -0.67 114.93 116.73 2qae h MET 459 Ca 0.14 -0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.77 2qae h MET 459 Cb 0.68 -0.01 0.00 0.00 -1.87 0.00 0.00 31.60 30.40 2qae h MET 459 CO 0.05 0.13 0.00 0.00 1.07 0.00 0.00 176.91 178.16 2qae h ALA 460 N 1.88 1.00 0.00 6.32 0.00 -0.79 0.68 119.26 128.35 2qae h ALA 460 Ca 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 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 -0.12 -0.07 0.00 0.00 0.00 179.25 179.07 2qae h LEU 461 N 0.00 0.00 0.00 0.00 3.38 -1.08 -3.40 115.31 114.21 2qae h LEU 461 Ca 0.00 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.85 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 0.63 -0.32 2.22 0.09 0.00 0.00 178.44 181.06 2qae n PHE 462 N -4.72 0.14 0.00 1.13 -1.74 -1.11 -4.93 117.46 106.22 2qae n PHE 462 Ca -0.03 0.04 0.00 0.00 -0.56 0.00 0.00 57.45 56.90 2qae n PHE 462 Cb 0.12 -0.44 0.00 0.00 1.52 0.00 0.00 39.48 40.68 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 -1.57 0.00 -2.79 1.98 0.00 0.15 -5.09 120.51 113.20 2qae n ALA 463 Ca 0.06 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.35 2qae n ALA 463 Cb 0.36 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.69 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 3.43 0.63 0.81 0.00 1.02 -0.72 -4.54 119.74 120.37 2qae s LYS 464 Ca 0.00 -0.84 -0.11 0.00 0.02 0.00 0.00 55.97 55.04 2qae s LYS 464 Cb 0.00 -0.46 0.08 0.00 -0.52 0.00 0.00 37.83 36.93 2qae s LYS 464 CO 0.00 0.09 1.09 0.95 -0.92 0.00 0.00 175.35 176.56 2qae s THR 465 N -1.43 3.13 -0.25 2.17 -4.23 -1.26 -4.44 115.64 109.33 2qae s THR 465 Ca -0.07 0.37 -0.07 0.00 -1.18 0.00 0.00 61.69 60.74 2qae s THR 465 Cb -0.09 -3.00 -0.17 0.00 1.34 0.00 0.00 72.50 70.59 2qae s THR 465 CO 0.01 -0.48 -0.16 -0.38 -0.54 0.00 0.00 174.62 173.07 2qae n ILE 466 N -3.53 1.54 0.02 2.99 5.41 -1.26 -4.55 119.36 119.98 2qae n ILE 466 Ca 0.07 -0.46 0.06 0.00 1.00 0.00 0.00 62.75 63.42 2qae n ILE 466 Cb 0.55 -1.68 0.25 0.00 -0.71 0.00 0.00 39.64 38.05 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 -3.76 3.54 0.00 4.38 3.02 -1.26 -5.26 115.26 115.92 2qae n ASN 467 Ca -0.46 -2.35 0.00 0.00 -0.03 0.00 0.00 54.58 51.74 2qae n ASN 467 Cb 0.93 -0.50 0.00 0.00 -0.61 0.00 0.00 39.78 39.60 2qae n ASN 467 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97