#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mfi n PRO -1 N 0.00 0.45 0.00 -0.67 -0.04 -1.26 -2.17 135.00 131.31 3mfi n PRO -1 Ca 0.00 0.05 0.15 0.00 -0.04 0.00 0.00 63.50 63.66 3mfi n PRO -1 Cb 0.00 -1.50 0.69 0.00 -0.04 0.00 0.00 33.50 32.65 3mfi n PRO -1 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3mfi n HIS 0 N -1.19 0.00 -4.33 0.54 8.25 -1.26 -4.90 115.22 112.34 3mfi n HIS 0 Ca 0.13 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.42 3mfi n HIS 0 Cb 0.14 -0.12 -0.10 0.00 1.12 0.00 0.00 29.99 31.02 3mfi n HIS 0 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 3mfi s MET 1 N -2.31 1.36 0.79 -0.41 -1.94 -0.92 -4.41 119.30 111.46 3mfi s MET 1 Ca 0.34 -1.71 -0.14 0.00 -1.71 0.00 0.00 55.69 52.48 3mfi s MET 1 Cb 0.21 -0.48 0.06 0.00 2.01 0.00 0.00 34.83 36.63 3mfi s MET 1 CO 0.43 -0.17 1.12 0.45 -0.01 0.00 0.00 175.02 176.83 3mfi n SER 2 N -0.43 0.80 0.18 3.03 2.88 -0.85 -4.75 113.62 114.46 3mfi n SER 2 Ca -0.03 0.60 0.14 0.00 -1.33 0.00 0.00 58.87 58.24 3mfi n SER 2 Cb 0.65 -1.47 0.58 0.00 -0.75 0.00 0.00 64.21 63.21 3mfi n SER 2 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 3mfi h LYS 3 N -0.73 0.00 -6.26 -1.46 1.57 -1.89 -3.43 116.57 104.37 3mfi h LYS 3 Ca -0.47 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 57.74 3mfi h LYS 3 Cb 1.31 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 33.52 3mfi h LYS 3 CO 0.46 0.00 -0.63 -0.06 -0.57 0.00 0.00 179.45 178.65 3mfi s PHE 4 N -3.46 2.83 0.30 -1.35 0.40 -1.26 -5.02 117.98 110.42 3mfi s PHE 4 Ca 0.02 -0.16 0.08 0.00 -0.60 0.00 0.00 56.93 56.27 3mfi s PHE 4 Cb 0.09 -1.31 -0.04 0.00 0.51 0.00 0.00 43.02 42.27 3mfi s PHE 4 CO 0.41 0.56 0.18 0.95 0.70 0.00 0.00 175.22 178.02 3mfi s THR 5 N -2.02 3.65 0.26 0.64 -4.23 -1.26 -0.77 115.64 111.91 3mfi s THR 5 Ca 0.30 -1.54 -0.02 0.00 -1.18 0.00 0.00 61.69 59.25 3mfi s THR 5 Cb -0.08 -3.14 0.24 0.00 1.34 0.00 0.00 72.50 70.86 3mfi s THR 5 CO 0.20 -0.26 1.82 -0.50 -0.54 0.00 0.00 174.62 175.35 3mfi h TRP 6 N 1.48 0.98 -0.45 3.99 4.06 -1.39 -2.32 115.95 122.30 3mfi h TRP 6 Ca -0.45 0.03 0.08 0.00 2.06 0.00 0.00 58.89 60.61 3mfi h TRP 6 Cb 1.25 -0.30 -0.07 0.00 -1.00 0.00 0.00 29.16 29.04 3mfi h TRP 6 CO 0.58 0.39 0.04 -0.22 -3.56 0.00 0.00 178.44 175.68 3mfi h LYS 7 N 0.88 0.15 -0.60 0.49 3.64 -0.96 0.08 116.57 120.24 3mfi h LYS 7 Ca 0.44 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.79 3mfi h LYS 7 Cb 0.42 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.17 3mfi h LYS 7 CO -0.26 0.10 0.27 0.93 -2.27 0.00 0.00 179.45 178.23 3mfi h GLU 8 N 0.16 0.85 -0.04 1.90 5.08 -1.73 -0.77 114.58 120.03 3mfi h GLU 8 Ca 0.22 -0.11 -0.05 0.00 -1.00 0.00 0.00 59.36 58.42 3mfi h GLU 8 Cb 0.31 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.40 3mfi h GLU 8 CO -0.33 0.67 -0.16 1.25 -1.00 0.00 0.00 179.01 179.44 3mfi h LEU 9 N 0.85 0.21 -1.38 1.33 5.85 -0.90 -3.25 115.31 118.03 3mfi h LEU 9 Ca 0.21 -0.64 -0.04 0.00 0.84 0.00 0.00 57.88 58.25 3mfi h LEU 9 Cb 0.11 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 3mfi h LEU 9 CO -0.03 0.81 -0.01 0.40 -0.34 0.00 0.00 178.44 179.27 3mfi h ILE 10 N -0.38 1.17 -0.00 4.05 1.08 -0.88 -1.80 117.51 120.75 3mfi h ILE 10 Ca -0.01 -0.67 0.00 0.00 -0.39 0.00 0.00 64.86 63.80 3mfi h ILE 10 Cb 0.80 0.99 -0.00 0.00 -3.07 0.00 0.00 36.82 35.53 3mfi h ILE 10 CO 0.03 0.22 0.01 -0.61 -0.69 0.00 0.00 178.15 177.11 3mfi h GLN 11 N 0.38 0.00 -0.02 2.37 4.15 -1.17 -0.78 115.11 120.05 3mfi h GLN 11 Ca 0.09 0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.51 3mfi h GLN 11 Cb 0.28 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.97 3mfi h GLN 11 CO 0.01 0.00 0.02 -0.07 -1.93 0.00 0.00 178.83 176.86 3mfi h LEU 12 N 0.00 0.00 -0.03 -2.39 3.38 -1.39 -1.12 115.31 113.76 3mfi h LEU 12 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3mfi h LEU 12 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3mfi h LEU 12 CO -0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 3mfi n GLY 13 N -1.42 -0.97 3.34 0.83 0.00 -0.30 -3.09 105.19 103.59 3mfi n GLY 13 Ca -0.02 -0.19 -0.38 0.00 0.00 0.00 0.00 46.02 45.43 3mfi n GLY 13 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3mfi s SER 14 N -1.91 5.23 0.44 1.61 0.15 -0.43 -4.92 113.70 113.87 3mfi s SER 14 Ca 0.44 -0.78 0.11 0.00 0.70 0.00 0.00 55.95 56.42 3mfi s SER 14 Cb 0.20 -1.90 1.01 0.00 -1.71 0.00 0.00 66.02 63.62 3mfi s SER 14 CO 0.34 -0.23 2.05 -0.65 1.20 0.00 0.00 173.24 175.95 3mfi h PRO 15 N 8.25 0.38 -0.00 5.44 0.11 -1.85 0.13 132.00 144.46 3mfi h PRO 15 Ca -0.30 -0.02 -0.13 0.00 0.11 0.00 0.00 66.00 65.66 3mfi h PRO 15 Cb 1.12 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 3mfi h PRO 15 CO 0.61 0.25 -0.62 0.66 -0.21 0.00 0.00 178.00 178.69 3mfi h SER 16 N 0.39 0.01 0.00 -2.05 4.64 -1.94 -3.37 113.55 111.23 3mfi h SER 16 Ca 0.16 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 3mfi h SER 16 Cb 0.16 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 3mfi h SER 16 CO -0.04 0.63 -0.27 0.29 -0.87 0.00 0.00 176.83 176.56 3mfi n LYS 17 N -3.81 5.18 -0.04 4.77 5.02 -0.93 -4.74 118.16 123.61 3mfi n LYS 17 Ca -0.01 -0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.36 3mfi n LYS 17 Cb 0.62 -0.74 0.47 0.00 -0.02 0.00 0.00 35.03 35.36 3mfi n LYS 17 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3mfi h ALA 18 N 0.61 1.89 0.00 7.82 0.00 -0.73 -1.39 119.26 127.46 3mfi h ALA 18 Ca 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3mfi h ALA 18 Cb 0.11 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 3mfi h ALA 18 CO 0.00 0.02 -0.09 0.10 0.00 0.00 0.00 179.25 179.29 3mfi h TYR 19 N 0.46 0.00 0.00 0.00 -0.00 -1.84 -2.72 116.97 112.87 3mfi h TYR 19 Ca 0.22 0.00 -0.03 0.00 0.00 0.00 0.00 58.73 58.92 3mfi h TYR 19 Cb 0.29 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.02 3mfi h TYR 19 CO -0.00 0.09 -0.14 0.93 -0.00 0.00 0.00 178.16 179.04 3mfi h GLU 20 N 0.00 0.00 -6.75 0.10 5.08 -1.60 -3.45 114.58 107.97 3mfi h GLU 20 Ca -0.00 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.84 3mfi h GLU 20 Cb 0.29 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.57 3mfi h GLU 20 CO 0.01 0.14 0.60 0.45 -1.00 0.00 0.00 179.01 179.20 3mfi s SER 21 N -6.19 6.98 0.66 1.42 0.15 -1.02 -4.93 113.70 110.76 3mfi s SER 21 Ca 0.05 2.41 0.41 0.00 0.70 0.00 0.00 55.95 59.52 3mfi s SER 21 Cb 0.07 -2.62 2.26 0.00 -1.71 0.00 0.00 66.02 64.02 3mfi s SER 21 CO 0.67 -0.42 2.31 0.28 1.20 0.00 0.00 173.24 177.27 3mfi h SER 22 N 4.55 0.00 -0.04 5.45 0.02 -1.89 -1.04 113.55 120.61 3mfi h SER 22 Ca -0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 3mfi h SER 22 Cb 1.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.76 3mfi h SER 22 CO 0.72 0.00 0.00 0.18 -1.14 0.00 0.00 176.83 176.59 3mfi n LEU 23 N -3.18 1.05 -4.55 5.07 4.77 -1.26 -4.91 117.00 113.99 3mfi n LEU 23 Ca -0.03 -0.38 -0.43 0.00 -0.03 0.00 0.00 56.01 55.15 3mfi n LEU 23 Cb 0.11 -0.02 -0.00 0.00 -2.33 0.00 0.00 43.42 41.18 3mfi n LEU 23 CO 0.21 0.19 0.40 0.00 -1.33 0.00 0.00 177.39 176.86 3mfi n ALA 24 N -0.15 -0.59 -3.93 -1.18 0.00 -0.40 -4.86 120.51 109.40 3mfi n ALA 24 Ca 0.19 0.27 -0.31 0.00 0.00 0.00 0.00 53.44 53.60 3mfi n ALA 24 Cb 0.27 -1.95 -0.15 0.00 0.00 0.00 0.00 19.45 17.62 3mfi n ALA 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mfi s ILE 26 N 1.24 3.51 0.01 0.00 -1.09 -0.10 -1.11 121.20 123.65 3mfi s ILE 26 Ca 0.03 -0.92 0.08 0.00 -2.23 0.00 0.00 60.65 57.62 3mfi s ILE 26 Cb -0.19 -2.55 -0.02 0.00 -1.58 0.00 0.00 42.46 38.13 3mfi s ILE 26 CO -0.11 0.33 -0.24 0.00 -1.23 0.00 0.00 174.94 173.68 3mfi s ALA 27 N -1.04 2.05 -0.14 9.38 0.00 -0.40 -2.26 121.76 129.35 3mfi s ALA 27 Ca 0.18 -1.11 -0.00 0.00 0.00 0.00 0.00 51.96 51.03 3mfi s ALA 27 Cb -0.11 -0.48 -0.01 0.00 0.00 0.00 0.00 23.12 22.52 3mfi s ALA 27 CO 0.09 0.49 -0.13 -1.58 0.00 0.00 0.00 175.76 174.63 3mfi s HIS 28 N -0.66 2.81 -0.13 0.00 2.46 -0.17 -0.68 115.29 118.92 3mfi s HIS 28 Ca 0.10 -0.82 0.02 0.00 0.47 0.00 0.00 55.06 54.83 3mfi s HIS 28 Cb -0.09 -1.88 0.01 0.00 -0.13 0.00 0.00 32.58 30.49 3mfi s HIS 28 CO 0.00 -0.34 -0.18 0.42 -2.47 0.00 0.00 174.74 172.18 3mfi s ILE 29 N 0.60 1.73 -0.11 0.89 1.01 -0.10 -0.87 121.20 124.35 3mfi s ILE 29 Ca -0.08 -0.77 0.01 0.00 0.00 0.00 0.00 60.65 59.81 3mfi s ILE 29 Cb -0.16 -1.57 0.02 0.00 0.01 0.00 0.00 42.46 40.77 3mfi s ILE 29 CO 0.03 0.49 -0.11 -0.62 0.00 0.00 0.00 174.94 174.73 3mfi s ASP 30 N 1.04 2.23 0.29 3.58 -1.08 0.01 -1.41 116.67 121.33 3mfi s ASP 30 Ca -0.04 -0.36 -0.30 0.00 -0.52 0.00 0.00 52.55 51.34 3mfi s ASP 30 Cb -0.15 -0.94 -0.11 0.00 -1.46 0.00 0.00 42.92 40.26 3mfi s ASP 30 CO -0.04 -0.05 1.59 -0.04 0.52 0.00 0.00 175.17 177.14 3mfi s MET 31 N 1.34 4.12 0.21 4.34 -1.94 -0.51 -1.41 119.30 125.45 3mfi s MET 31 Ca -0.01 2.57 -0.30 0.00 -1.71 0.00 0.00 55.69 56.24 3mfi s MET 31 Cb -0.14 -3.02 -0.08 0.00 2.01 0.00 0.00 34.83 33.59 3mfi s MET 31 CO -0.05 -0.63 1.20 -0.80 -0.01 0.00 0.00 175.02 174.73 3mfi s ASN 32 N 0.49 7.08 -1.18 3.03 0.02 -0.36 -4.05 114.94 119.96 3mfi s ASN 32 Ca 0.63 2.28 -0.14 0.00 -1.02 0.00 0.00 52.86 54.61 3mfi s ASN 32 Cb -0.48 -2.61 0.02 0.00 0.02 0.00 0.00 41.25 38.20 3mfi s ASN 32 CO 0.48 -0.36 0.27 0.00 0.02 0.00 0.00 177.10 177.50 3mfi n ALA 33 N 2.24 -2.10 0.15 0.60 0.00 -1.26 -4.60 120.51 115.55 3mfi n ALA 33 Ca 0.03 -0.43 -0.14 0.00 0.00 0.00 0.00 53.44 52.91 3mfi n ALA 33 Cb 0.44 -1.37 -0.07 0.00 0.00 0.00 0.00 19.45 18.46 3mfi n ALA 33 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3mfi h PHE 34 N -1.57 -0.89 -0.13 0.00 3.57 -1.94 -0.20 116.94 115.79 3mfi h PHE 34 Ca -0.58 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 60.88 3mfi h PHE 34 Cb 1.19 0.37 -0.01 0.00 2.79 0.00 0.00 35.95 40.28 3mfi h PHE 34 CO 0.38 -0.45 -0.17 0.74 -2.23 0.00 0.00 178.31 176.58 3mfi h PHE 35 N -0.60 0.22 -0.47 0.41 -1.00 -1.93 -0.63 116.94 112.94 3mfi h PHE 35 Ca 0.01 -0.03 -0.10 0.00 2.81 0.00 0.00 57.97 60.66 3mfi h PHE 35 Cb 0.60 -0.06 -0.01 0.00 3.61 0.00 0.00 35.95 40.08 3mfi h PHE 35 CO -0.26 0.38 -0.11 0.00 -1.61 0.00 0.00 178.31 176.72 3mfi h ALA 36 N 1.63 0.64 -0.51 2.45 0.00 -1.52 -2.13 119.26 119.81 3mfi h ALA 36 Ca 0.04 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.54 3mfi h ALA 36 Cb 0.43 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3mfi h ALA 36 CO 0.03 0.54 0.04 1.96 0.00 0.00 0.00 179.25 181.81 3mfi h GLN 37 N 0.74 0.84 -0.36 0.00 4.20 -0.34 0.25 115.11 120.44 3mfi h GLN 37 Ca 0.12 -0.22 0.00 0.00 0.06 0.00 0.00 58.65 58.62 3mfi h GLN 37 Cb 0.66 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.32 3mfi h GLN 37 CO 0.05 0.82 0.24 0.28 -0.67 0.00 0.00 178.83 179.54 3mfi h VAL 38 N 0.79 1.09 -0.62 -0.54 2.07 -0.97 -0.64 116.25 117.43 3mfi h VAL 38 Ca 0.16 -0.18 -0.09 0.00 0.82 0.00 0.00 66.70 67.41 3mfi h VAL 38 Cb 0.42 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 3mfi h VAL 38 CO 0.02 0.09 0.06 -0.33 0.02 0.00 0.00 177.57 177.42 3mfi h GLU 39 N 0.48 1.06 -0.16 1.57 4.39 -1.14 -0.15 114.58 120.65 3mfi h GLU 39 Ca 0.13 -0.31 0.04 0.00 0.34 0.00 0.00 59.36 59.56 3mfi h GLU 39 Cb -0.05 -0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 28.44 3mfi h GLU 39 CO -0.03 1.01 -0.11 0.37 -1.16 0.00 0.00 179.01 179.09 3mfi h GLN 40 N 0.97 -0.12 -0.51 2.33 4.15 -0.70 -0.91 115.11 120.33 3mfi h GLN 40 Ca 0.18 0.01 -0.11 0.00 0.77 0.00 0.00 58.65 59.50 3mfi h GLN 40 Cb 0.49 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.19 3mfi h GLN 40 CO 0.02 -0.08 -0.12 0.52 -1.93 0.00 0.00 178.83 177.25 3mfi h MET 41 N -0.12 0.99 -0.93 1.69 2.86 -0.87 0.17 114.93 118.72 3mfi h MET 41 Ca 0.10 -0.38 0.00 0.00 -2.06 0.00 0.00 59.70 57.37 3mfi h MET 41 Cb 0.26 -0.06 -0.05 0.00 0.06 0.00 0.00 31.60 31.82 3mfi h MET 41 CO -0.23 1.05 0.60 -0.09 1.06 0.00 0.00 176.91 179.30 3mfi h ARG 42 N 0.85 1.24 -0.39 1.72 2.43 -0.79 -2.80 114.38 116.65 3mfi h ARG 42 Ca 0.13 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 3mfi h ARG 42 Cb 0.68 -0.27 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 3mfi h ARG 42 CO 0.05 0.83 0.00 0.00 -1.51 0.00 0.00 179.97 179.34 3mfi n GLY 44 N 1.33 0.14 4.00 0.00 0.00 -0.75 -5.01 105.19 104.90 3mfi n GLY 44 Ca 0.18 -0.47 -0.19 0.00 0.00 0.00 0.00 46.02 45.54 3mfi n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mfi s LEU 45 N -2.89 3.43 0.38 0.99 1.43 -0.03 -5.04 118.68 116.96 3mfi s LEU 45 Ca 0.00 -0.34 0.08 0.00 -1.03 0.00 0.00 54.13 52.83 3mfi s LEU 45 Cb 0.00 -2.56 -0.03 0.00 0.03 0.00 0.00 46.19 43.63 3mfi s LEU 45 CO 0.00 -1.01 0.31 -0.94 0.23 0.00 0.00 176.35 174.93 3mfi s SER 46 N -4.43 5.03 0.58 2.29 1.04 -1.26 -4.63 113.70 112.32 3mfi s SER 46 Ca 0.57 -0.69 0.28 0.00 0.48 0.00 0.00 55.95 56.59 3mfi s SER 46 Cb -0.09 -0.71 1.52 0.00 0.10 0.00 0.00 66.02 66.83 3mfi s SER 46 CO 0.36 -0.50 1.96 0.50 0.98 0.00 0.00 173.24 176.54 3mfi h LYS 47 N 1.20 0.00 0.00 4.02 3.64 -1.99 -2.30 116.57 121.14 3mfi h LYS 47 Ca -0.43 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.95 3mfi h LYS 47 Cb 1.26 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 3mfi h LYS 47 CO 0.59 0.00 -0.39 0.39 -2.27 0.00 0.00 179.45 177.77 3mfi n GLU 48 N -3.82 0.14 -2.75 1.90 4.71 -1.26 -4.31 120.64 115.25 3mfi n GLU 48 Ca 0.07 0.06 -0.42 0.00 -0.01 0.00 0.00 57.16 56.86 3mfi n GLU 48 Cb 0.57 -1.61 -0.03 0.00 -1.01 0.00 0.00 31.44 29.36 3mfi n GLU 48 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 3mfi s ASP 49 N -3.66 7.36 -1.36 1.62 1.01 -0.87 -4.88 116.67 115.88 3mfi s ASP 49 Ca 0.10 1.64 -0.15 0.00 0.71 0.00 0.00 52.55 54.84 3mfi s ASP 49 Cb 0.16 -2.56 0.07 0.00 1.01 0.00 0.00 42.92 41.60 3mfi s ASP 49 CO 0.66 -0.20 1.94 -0.81 0.21 0.00 0.00 175.17 176.97 3mfi n PRO 50 N 3.65 3.10 -2.84 8.23 -0.04 -1.26 -4.64 135.00 141.21 3mfi n PRO 50 Ca 0.04 -3.05 -0.40 0.00 -0.04 0.00 0.00 63.50 60.05 3mfi n PRO 50 Cb 0.51 -3.33 -0.05 0.00 -0.04 0.00 0.00 33.50 30.59 3mfi n PRO 50 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3mfi s VAL 51 N 3.27 4.48 0.01 0.52 1.01 -1.26 -1.10 120.40 127.33 3mfi s VAL 51 Ca 0.49 1.90 0.06 0.00 0.00 0.00 0.00 61.98 64.44 3mfi s VAL 51 Cb 0.08 -4.24 -0.02 0.00 0.00 0.00 0.00 36.38 32.20 3mfi s VAL 51 CO -0.01 0.39 -0.19 0.68 0.00 0.00 0.00 175.10 175.97 3mfi s VAL 52 N -0.35 1.52 -0.16 2.92 -7.23 -0.56 -1.83 120.40 114.71 3mfi s VAL 52 Ca 0.42 -0.95 -0.19 0.00 -1.81 0.00 0.00 61.98 59.45 3mfi s VAL 52 Cb -0.23 -1.29 -0.03 0.00 0.56 0.00 0.00 36.38 35.39 3mfi s VAL 52 CO 0.28 0.32 0.55 0.00 -0.31 0.00 0.00 175.10 175.94 3mfi s VAL 54 N 1.26 3.08 -0.27 0.00 1.01 -0.01 -1.11 120.40 124.36 3mfi s VAL 54 Ca 0.27 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 61.58 3mfi s VAL 54 Cb -0.16 -2.24 0.07 0.00 0.00 0.00 0.00 36.38 34.05 3mfi s VAL 54 CO 0.11 0.56 -0.05 -1.58 0.00 0.00 0.00 175.10 174.14 3mfi s GLN 55 N -0.27 1.78 6.84 2.72 0.74 -0.03 -1.48 119.66 129.96 3mfi s GLN 55 Ca 0.02 -1.27 0.00 0.00 0.05 0.00 0.00 55.36 54.16 3mfi s GLN 55 Cb -0.13 -2.77 0.00 0.00 1.10 0.00 0.00 33.01 31.21 3mfi s GLN 55 CO 0.03 -0.66 0.00 0.91 -0.55 0.00 0.00 175.29 175.01 3mfi n TRP 56 N 4.52 0.00 -0.14 1.67 5.03 -1.26 -1.74 117.44 125.52 3mfi n TRP 56 Ca -0.10 0.00 0.07 0.00 3.03 0.00 0.00 57.50 60.50 3mfi n TRP 56 Cb 0.43 0.00 0.18 0.00 -1.03 0.00 0.00 31.31 30.89 3mfi n TRP 56 CO 0.00 0.00 0.00 0.09 -0.03 0.00 0.00 177.69 177.75 3mfi n ASN 57 N 10.54 3.07 -4.54 -0.99 3.02 -1.26 -4.74 115.26 120.36 3mfi n ASN 57 Ca 0.00 -1.96 -0.34 0.00 -0.03 0.00 0.00 54.58 52.26 3mfi n ASN 57 Cb 0.00 -0.26 -0.12 0.00 -0.61 0.00 0.00 39.78 38.79 3mfi n ASN 57 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3mfi s SER 58 N -1.02 4.48 -0.29 6.41 0.15 -0.71 -1.52 113.70 121.21 3mfi s SER 58 Ca 0.28 -0.08 -0.26 0.00 0.70 0.00 0.00 55.95 56.58 3mfi s SER 58 Cb 0.15 -1.15 0.01 0.00 -1.71 0.00 0.00 66.02 63.31 3mfi s SER 58 CO 0.20 0.34 0.92 -0.63 1.20 0.00 0.00 173.24 175.26 3mfi s ILE 59 N -0.66 4.70 -0.53 6.45 1.01 -0.12 -0.85 121.20 131.20 3mfi s ILE 59 Ca 0.10 1.54 0.20 0.00 0.00 0.00 0.00 60.65 62.48 3mfi s ILE 59 Cb -0.11 -4.25 -0.25 0.00 0.01 0.00 0.00 42.46 37.86 3mfi s ILE 59 CO 0.02 -0.28 0.66 2.30 0.00 0.00 0.00 174.94 177.63 3mfi n ILE 60 N 5.56 0.00 -3.74 2.92 -5.35 -0.26 0.28 119.36 118.77 3mfi n ILE 60 Ca 0.08 -0.22 -0.13 0.00 -0.27 0.00 0.00 62.75 62.21 3mfi n ILE 60 Cb 0.47 0.59 -0.10 0.00 -1.74 0.00 0.00 39.64 38.86 3mfi n ILE 60 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3mfi s ALA 61 N -3.06 -0.97 -0.20 -1.28 0.00 -1.19 -4.88 121.76 110.18 3mfi s ALA 61 Ca 0.01 1.12 0.02 0.00 0.00 0.00 0.00 51.96 53.10 3mfi s ALA 61 Cb 0.14 -0.65 0.03 0.00 0.00 0.00 0.00 23.12 22.64 3mfi s ALA 61 CO 0.81 -0.19 -0.16 0.08 0.00 0.00 0.00 175.76 176.30 3mfi s VAL 62 N 0.26 2.05 0.74 0.00 1.01 -1.26 -1.41 120.40 121.79 3mfi s VAL 62 Ca -0.00 -1.14 -0.15 0.00 0.00 0.00 0.00 61.98 60.68 3mfi s VAL 62 Cb -0.03 -1.96 0.02 0.00 0.00 0.00 0.00 36.38 34.41 3mfi s VAL 62 CO -0.00 0.34 1.01 -1.54 0.00 0.00 0.00 175.10 174.91 3mfi n SER 63 N 4.57 0.58 0.23 3.32 3.41 -0.76 -4.71 113.62 120.27 3mfi n SER 63 Ca -0.18 0.65 0.07 0.00 -0.26 0.00 0.00 58.87 59.14 3mfi n SER 63 Cb 0.47 -1.43 0.55 0.00 -0.26 0.00 0.00 64.21 63.54 3mfi n SER 63 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 3mfi h TYR 64 N -0.39 0.00 -0.47 7.33 -1.99 -1.90 -0.58 116.97 118.98 3mfi h TYR 64 Ca -0.47 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.25 3mfi h TYR 64 Cb 1.32 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 40.03 3mfi h TYR 64 CO 0.41 0.17 0.24 0.00 -0.00 0.00 0.00 178.16 178.98 3mfi h ALA 65 N 1.83 0.60 -0.13 3.88 0.00 -1.83 -2.92 119.26 120.69 3mfi h ALA 65 Ca -0.00 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 3mfi h ALA 65 Cb 0.31 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3mfi h ALA 65 CO 0.02 0.14 -0.34 0.00 0.00 0.00 0.00 179.25 179.06 3mfi h ALA 66 N 1.09 1.18 -0.06 0.00 0.00 -1.57 -2.81 119.26 117.09 3mfi h ALA 66 Ca 0.16 -0.37 0.02 0.00 0.00 0.00 0.00 54.91 54.72 3mfi h ALA 66 Cb 0.08 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3mfi h ALA 66 CO -0.02 0.55 0.05 0.00 0.00 0.00 0.00 179.25 179.82 3mfi h ARG 67 N 0.23 0.00 0.00 0.00 3.08 -0.96 -1.81 114.38 114.92 3mfi h ARG 67 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3mfi h ARG 67 Cb 0.72 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.77 3mfi h ARG 67 CO 0.05 0.00 0.00 0.87 -1.07 0.00 0.00 179.97 179.82 3mfi h LYS 68 N 0.00 0.00 -0.33 0.04 1.57 -1.40 -0.17 116.57 116.28 3mfi h LYS 68 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3mfi h LYS 68 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 3mfi h LYS 68 CO -0.00 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.54 3mfi n TYR 69 N -2.54 0.42 -0.68 -1.35 4.02 -0.68 -4.96 117.16 111.39 3mfi n TYR 69 Ca -0.01 -0.21 0.00 0.00 -0.01 0.00 0.00 57.90 57.67 3mfi n TYR 69 Cb 0.12 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.44 3mfi n TYR 69 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3mfi n GLY 70 N 1.40 0.65 3.74 2.72 0.00 -0.07 -4.82 105.19 108.81 3mfi n GLY 70 Ca 0.18 -0.08 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 3mfi n GLY 70 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mfi s ILE 71 N -2.00 3.78 0.15 -0.61 1.01 -1.24 -5.04 121.20 117.26 3mfi s ILE 71 Ca 0.00 1.59 0.07 0.00 0.00 0.00 0.00 60.65 62.31 3mfi s ILE 71 Cb 0.00 -4.01 -0.04 0.00 0.01 0.00 0.00 42.46 38.42 3mfi s ILE 71 CO 0.00 0.30 -0.16 -0.44 0.00 0.00 0.00 174.94 174.64 3mfi s SER 72 N -0.28 2.38 0.37 3.58 0.01 -1.26 -4.46 113.70 114.04 3mfi s SER 72 Ca 0.48 -0.85 -0.27 0.00 1.31 0.00 0.00 55.95 56.62 3mfi s SER 72 Cb -0.30 -0.12 -0.11 0.00 0.21 0.00 0.00 66.02 65.70 3mfi s SER 72 CO 0.36 -0.09 1.31 -1.14 0.41 0.00 0.00 173.24 174.09 3mfi n ARG 73 N 0.34 2.15 -0.90 12.44 0.63 -1.26 -1.61 116.66 128.44 3mfi n ARG 73 Ca -0.14 0.76 0.00 0.00 -0.92 0.00 0.00 57.85 57.55 3mfi n ARG 73 Cb 0.57 -2.39 0.00 0.00 0.45 0.00 0.00 32.46 31.10 3mfi n ARG 73 CO 0.00 0.00 0.00 -1.33 -2.51 0.00 0.00 177.63 173.79 3mfi n MET 74 N 0.40 -0.40 -1.70 -0.14 2.81 0.14 -4.99 117.12 113.24 3mfi n MET 74 Ca 0.05 0.10 -0.38 0.00 -1.81 0.00 0.00 57.70 55.66 3mfi n MET 74 Cb 0.37 -3.54 0.05 0.00 -0.71 0.00 0.00 33.22 29.39 3mfi n MET 74 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3mfi n ASP 75 N -0.20 1.93 -4.84 7.83 9.92 -0.64 -4.70 116.55 125.86 3mfi n ASP 75 Ca 0.00 0.89 -0.32 0.00 -0.53 0.00 0.00 54.79 54.84 3mfi n ASP 75 Cb 0.10 -1.51 0.01 0.00 -0.64 0.00 0.00 41.12 39.08 3mfi n ASP 75 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 3mfi s THR 76 N -1.37 4.33 0.37 -3.53 -4.23 -1.26 -0.94 115.64 109.00 3mfi s THR 76 Ca 0.76 0.90 0.04 0.00 -1.18 0.00 0.00 61.69 62.21 3mfi s THR 76 Cb -0.41 -3.63 0.23 0.00 1.34 0.00 0.00 72.50 70.03 3mfi s THR 76 CO 0.46 -0.85 1.98 -0.29 -0.54 0.00 0.00 174.62 175.38 3mfi h ILE 77 N 0.01 1.15 -0.54 2.99 6.09 -1.62 -1.22 117.51 124.39 3mfi h ILE 77 Ca -0.45 -0.43 -0.09 0.00 -1.37 0.00 0.00 64.86 62.52 3mfi h ILE 77 Cb 1.20 0.57 -0.02 0.00 0.47 0.00 0.00 36.82 39.04 3mfi h ILE 77 CO 0.60 0.18 -0.02 1.56 -3.07 0.00 0.00 178.15 177.40 3mfi h GLN 78 N 0.63 0.96 -0.73 2.19 1.08 -1.93 -0.55 115.11 116.76 3mfi h GLN 78 Ca 0.16 -0.31 -0.00 0.00 -1.45 0.00 0.00 58.65 57.05 3mfi h GLN 78 Cb 0.06 -0.08 -0.04 0.00 -0.05 0.00 0.00 27.48 27.37 3mfi h GLN 78 CO -0.02 0.98 0.46 0.93 -0.95 0.00 0.00 178.83 180.22 3mfi h GLU 79 N 0.83 0.99 -0.39 1.46 5.08 -1.80 -2.66 114.58 118.09 3mfi h GLU 79 Ca 0.15 -0.08 -0.12 0.00 -1.00 0.00 0.00 59.36 58.31 3mfi h GLU 79 Cb 0.56 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 3mfi h GLU 79 CO 0.03 0.69 -0.23 0.00 -1.00 0.00 0.00 179.01 178.49 3mfi h ALA 80 N 1.24 0.86 0.00 3.43 0.00 -0.92 -2.69 119.26 121.18 3mfi h ALA 80 Ca 0.26 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 3mfi h ALA 80 Cb -0.06 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3mfi h ALA 80 CO -0.05 0.64 -0.18 -0.07 0.00 0.00 0.00 179.25 179.59 3mfi h LEU 81 N 0.68 0.00 -0.51 0.00 3.38 -0.92 -0.67 115.31 117.27 3mfi h LEU 81 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3mfi h LEU 81 Cb 0.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.50 3mfi h LEU 81 CO 0.06 0.18 0.00 0.29 0.09 0.00 0.00 178.44 179.06 3mfi n LYS 82 N -4.07 0.22 0.00 1.13 5.02 -1.02 -3.30 118.16 116.14 3mfi n LYS 82 Ca -0.02 0.37 0.11 0.00 -2.02 0.00 0.00 58.31 56.74 3mfi n LYS 82 Cb 0.25 -1.86 -0.14 0.00 -0.02 0.00 0.00 35.03 33.26 3mfi n LYS 82 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3mfi n LYS 83 N -2.27 0.57 -3.34 1.97 5.02 -0.30 -4.91 118.16 114.90 3mfi n LYS 83 Ca 0.03 -0.14 -0.10 0.00 -2.02 0.00 0.00 58.31 56.08 3mfi n LYS 83 Cb 0.29 -1.55 -0.07 0.00 -0.02 0.00 0.00 35.03 33.68 3mfi n LYS 83 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3mfi h SER 85 N 8.18 0.00 -0.71 0.00 4.64 -1.89 -2.90 113.55 120.87 3mfi h SER 85 Ca -0.15 0.00 -0.40 0.00 -0.47 0.00 0.00 61.79 60.77 3mfi h SER 85 Cb 1.13 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 62.99 3mfi h SER 85 CO 0.28 0.23 0.28 -0.46 -0.87 0.00 0.00 176.83 176.29 3mfi n ASN 86 N -3.87 3.76 -4.74 4.97 2.04 -1.26 -5.02 115.26 111.14 3mfi n ASN 86 Ca -0.02 -3.72 -0.40 0.00 -0.44 0.00 0.00 54.58 50.00 3mfi n ASN 86 Cb 0.32 -0.74 0.03 0.00 -2.53 0.00 0.00 39.78 36.85 3mfi n ASN 86 CO 0.00 0.00 0.00 -0.11 -0.44 0.00 0.00 177.26 176.71 3mfi n LEU 87 N -1.09 5.04 -4.01 -4.53 7.94 -1.10 -4.69 117.00 114.56 3mfi n LEU 87 Ca 0.48 1.07 -0.33 0.00 -1.11 0.00 0.00 56.01 56.13 3mfi n LEU 87 Cb 1.24 -1.58 -0.11 0.00 0.53 0.00 0.00 43.42 43.50 3mfi n LEU 87 CO 0.44 -0.39 -0.00 -0.63 -1.11 0.00 0.00 177.39 175.71 3mfi s ILE 88 N -1.23 3.29 0.12 1.96 1.01 -0.26 -5.04 121.20 121.06 3mfi s ILE 88 Ca 0.64 -3.46 -0.30 0.00 0.00 0.00 0.00 60.65 57.53 3mfi s ILE 88 Cb -0.45 -3.17 -0.06 0.00 0.01 0.00 0.00 42.46 38.79 3mfi s ILE 88 CO 0.55 -0.91 1.03 -2.16 0.00 0.00 0.00 174.94 173.46 3mfi s PRO 89 N -0.59 4.63 -0.15 2.79 0.04 -1.26 -1.49 135.00 138.96 3mfi s PRO 89 Ca 0.20 1.57 -0.01 0.00 0.04 0.00 0.00 61.00 62.80 3mfi s PRO 89 Cb -0.17 -3.34 0.04 0.00 0.04 0.00 0.00 34.50 31.06 3mfi s PRO 89 CO -0.06 0.10 -0.02 0.42 0.04 0.00 0.00 177.00 177.48 3mfi s ILE 90 N 0.08 0.83 0.50 0.56 1.01 -0.06 -4.94 121.20 119.18 3mfi s ILE 90 Ca 0.49 -0.45 -0.21 0.00 0.00 0.00 0.00 60.65 60.48 3mfi s ILE 90 Cb -0.26 -1.07 -0.07 0.00 0.01 0.00 0.00 42.46 41.07 3mfi s ILE 90 CO 0.31 0.09 1.12 -2.28 0.00 0.00 0.00 174.94 174.19 3mfi s HIS 91 N 1.75 2.83 0.79 3.97 2.46 -1.26 -0.83 115.29 125.01 3mfi s HIS 91 Ca 0.01 1.55 -0.14 0.00 0.47 0.00 0.00 55.06 56.96 3mfi s HIS 91 Cb -0.15 -3.27 0.06 0.00 -0.13 0.00 0.00 32.58 29.08 3mfi s HIS 91 CO -0.07 -1.36 1.08 0.25 -2.47 0.00 0.00 174.74 172.16 3mfi n THR 92 N -0.88 2.14 -0.69 0.89 -2.24 -0.55 -4.84 114.28 108.10 3mfi n THR 92 Ca 0.09 -0.26 -0.31 0.00 -2.27 0.00 0.00 64.05 61.30 3mfi n THR 92 Cb 0.50 -1.13 0.16 0.00 -2.10 0.00 0.00 70.33 67.76 3mfi n THR 92 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mfi n ALA 93 N -3.08 -1.10 -2.89 6.98 0.00 -1.26 -4.78 120.51 114.40 3mfi n ALA 93 Ca 0.13 -0.57 -0.11 0.00 0.00 0.00 0.00 53.44 52.90 3mfi n ALA 93 Cb 0.50 -2.14 -0.08 0.00 0.00 0.00 0.00 19.45 17.73 3mfi n ALA 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3mfi s VAL 94 N -2.60 0.11 -0.10 0.00 -7.23 -0.48 -1.24 120.40 108.87 3mfi s VAL 94 Ca 0.65 -0.87 -0.10 0.00 -1.81 0.00 0.00 61.98 59.86 3mfi s VAL 94 Cb -0.23 -0.88 -0.05 0.00 0.56 0.00 0.00 36.38 35.78 3mfi s VAL 94 CO 0.59 -0.48 0.23 -0.36 -0.31 0.00 0.00 175.10 174.77 3mfi s PHE 95 N -2.49 3.61 -0.07 2.82 0.08 -0.01 -1.51 117.98 120.41 3mfi s PHE 95 Ca -0.06 0.65 -0.17 0.00 0.12 0.00 0.00 56.93 57.48 3mfi s PHE 95 Cb -0.01 -2.09 -0.05 0.00 -0.57 0.00 0.00 43.02 40.30 3mfi s PHE 95 CO -0.03 0.64 0.44 0.21 -0.10 0.00 0.00 175.22 176.38 3mfi s LYS 96 N -0.82 4.19 0.19 0.44 2.20 -1.26 -1.18 119.74 123.50 3mfi s LYS 96 Ca 0.17 0.42 -0.33 0.00 -0.36 0.00 0.00 55.97 55.87 3mfi s LYS 96 Cb -0.13 -3.35 -0.14 0.00 -1.51 0.00 0.00 37.83 32.69 3mfi s LYS 96 CO 0.06 0.36 1.39 1.17 -0.36 0.00 0.00 175.35 177.97 3mfi n LYS 97 N 2.96 1.76 -0.13 4.03 4.81 0.39 -0.71 118.16 131.26 3mfi n LYS 97 Ca -0.10 0.63 0.00 0.00 -0.87 0.00 0.00 58.31 57.97 3mfi n LYS 97 Cb 0.52 -2.28 0.00 0.00 0.02 0.00 0.00 35.03 33.29 3mfi n LYS 97 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3mfi n GLY 98 N 2.47 1.16 3.69 3.14 0.00 -1.26 -5.02 105.19 109.37 3mfi n GLY 98 Ca 0.14 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 3mfi n GLY 98 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mfi s GLU 99 N -0.56 2.17 -0.10 1.61 2.02 0.11 -5.07 118.70 118.88 3mfi s GLU 99 Ca 0.00 -1.81 0.14 0.00 0.02 0.00 0.00 54.97 53.32 3mfi s GLU 99 Cb 0.00 -1.95 0.22 0.00 0.10 0.00 0.00 34.13 32.50 3mfi s GLU 99 CO 0.00 -0.01 1.11 -0.40 0.02 0.00 0.00 175.26 175.99 3mfi n ASP 100 N -1.11 1.75 -3.92 -0.19 3.85 -1.26 -4.67 116.55 111.00 3mfi n ASP 100 Ca -0.03 -2.81 -0.09 0.00 -0.71 0.00 0.00 54.79 51.15 3mfi n ASP 100 Cb 0.64 -0.37 -0.09 0.00 -1.35 0.00 0.00 41.12 39.95 3mfi n ASP 100 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.20 176.91 3mfi s PHE 101 N -2.15 0.21 0.18 2.11 -0.12 -1.26 -4.76 117.98 112.19 3mfi s PHE 101 Ca 0.24 -0.56 0.05 0.00 -0.05 0.00 0.00 56.93 56.61 3mfi s PHE 101 Cb 0.21 -0.14 -0.04 0.00 -0.63 0.00 0.00 43.02 42.42 3mfi s PHE 101 CO 0.02 -0.42 0.15 1.67 -0.05 0.00 0.00 175.22 176.59 3mfi s TRP 102 N -3.09 3.15 0.19 3.49 1.48 -1.26 -4.36 118.94 118.55 3mfi s TRP 102 Ca -0.01 -0.03 -0.20 0.00 -1.06 0.00 0.00 56.10 54.80 3mfi s TRP 102 Cb 0.02 -1.50 0.04 0.00 -1.16 0.00 0.00 33.47 30.87 3mfi s TRP 102 CO -0.07 0.52 0.59 1.14 -4.06 0.00 0.00 176.95 175.07 3mfi s GLN 103 N -3.24 1.41 0.12 3.25 -2.07 -0.57 -4.95 119.66 113.60 3mfi s GLN 103 Ca 0.31 -0.73 -0.22 0.00 -1.82 0.00 0.00 55.36 52.90 3mfi s GLN 103 Cb -0.10 0.56 -0.07 0.00 -1.09 0.00 0.00 33.01 32.31 3mfi s GLN 103 CO 0.24 -0.61 0.68 0.71 -1.32 0.00 0.00 175.29 174.98 3mfi s TYR 104 N -3.83 3.85 -0.85 9.60 1.51 -1.26 -1.38 117.35 125.00 3mfi s TYR 104 Ca 0.06 1.46 -0.02 0.00 -1.01 0.00 0.00 57.07 57.56 3mfi s TYR 104 Cb -0.02 -2.64 0.21 0.00 -0.11 0.00 0.00 41.96 39.40 3mfi s TYR 104 CO -0.05 0.54 0.72 -1.01 -1.11 0.00 0.00 175.55 174.64 3mfi s HIS 105 N -1.09 3.82 0.34 2.71 3.76 -1.26 -5.02 115.29 118.55 3mfi s HIS 105 Ca 0.33 -2.98 -0.27 0.00 -0.15 0.00 0.00 55.06 51.98 3mfi s HIS 105 Cb -0.21 -3.23 -0.09 0.00 1.11 0.00 0.00 32.58 30.16 3mfi s HIS 105 CO 0.23 -0.75 1.09 -0.51 -0.85 0.00 0.00 174.74 173.94 3mfi s ASP 106 N -0.04 6.99 0.00 1.40 -0.00 -1.26 -2.18 116.67 121.59 3mfi s ASP 106 Ca 0.26 2.19 0.00 0.00 -0.00 0.00 0.00 52.55 54.99 3mfi s ASP 106 Cb -0.09 -2.61 0.00 0.00 -0.00 0.00 0.00 42.92 40.22 3mfi s ASP 106 CO -0.11 -0.33 0.00 0.61 -0.00 0.00 0.00 175.17 175.34 3mfi n GLY 107 N 0.81 0.81 3.52 0.21 0.00 -1.26 -5.04 105.19 104.24 3mfi n GLY 107 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 3mfi n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mfi n GLY 109 N 1.07 2.08 0.28 0.00 0.00 -0.67 -4.59 105.19 103.36 3mfi n GLY 109 Ca -0.15 -1.25 0.16 0.00 0.00 0.00 0.00 46.02 44.79 3mfi n GLY 109 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3mfi h SER 110 N 0.00 0.00 1.07 1.61 4.64 -1.86 -1.81 113.55 117.20 3mfi h SER 110 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3mfi h SER 110 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3mfi h SER 110 CO 0.00 0.06 0.00 -2.67 -0.87 0.00 0.00 176.83 173.35 3mfi n TRP 111 N -3.25 0.41 -3.06 4.77 2.14 -1.26 -4.79 117.44 112.41 3mfi n TRP 111 Ca -0.01 0.13 -0.40 0.00 2.07 0.00 0.00 57.50 59.30 3mfi n TRP 111 Cb 0.26 -0.71 -0.05 0.00 -0.81 0.00 0.00 31.31 30.01 3mfi n TRP 111 CO 0.00 0.00 0.00 0.08 2.07 0.00 0.00 177.69 179.84 3mfi s VAL 112 N -3.07 5.04 0.13 -1.67 1.01 -0.68 -4.98 120.40 116.19 3mfi s VAL 112 Ca 0.11 1.41 -0.16 0.00 0.00 0.00 0.00 61.98 63.34 3mfi s VAL 112 Cb 0.14 -4.03 -0.01 0.00 0.00 0.00 0.00 36.38 32.49 3mfi s VAL 112 CO 0.50 0.24 1.70 0.06 0.00 0.00 0.00 175.10 177.59 3mfi h GLN 113 N 6.83 0.57 -6.12 2.72 -0.00 -1.87 -3.44 115.11 113.81 3mfi h GLN 113 Ca -0.40 -0.09 -0.68 0.00 -0.00 0.00 0.00 58.65 57.47 3mfi h GLN 113 Cb 1.19 -0.10 0.00 0.00 -0.00 0.00 0.00 27.48 28.57 3mfi h GLN 113 CO 0.76 0.52 1.15 -3.47 -0.00 0.00 0.00 178.83 177.79 3mfi n ASP 114 N -4.68 2.54 0.23 0.06 -0.08 -1.26 -4.85 116.55 108.51 3mfi n ASP 114 Ca -0.00 0.80 0.16 0.00 -1.51 0.00 0.00 54.79 54.23 3mfi n ASP 114 Cb 0.13 -1.24 0.80 0.00 2.34 0.00 0.00 41.12 43.14 3mfi n ASP 114 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3mfi h PRO 115 N 9.66 0.00 0.00 -0.67 0.11 -2.00 -2.01 132.00 137.09 3mfi h PRO 115 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 3mfi h PRO 115 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 3mfi h PRO 115 CO 0.98 0.00 -0.25 0.00 -0.21 0.00 0.00 178.00 178.52 3mfi n ALA 116 N -1.91 2.86 -2.15 -0.75 0.00 -1.26 -4.10 120.51 113.21 3mfi n ALA 116 Ca -0.01 -0.21 -0.27 0.00 0.00 0.00 0.00 53.44 52.95 3mfi n ALA 116 Cb 0.10 -1.31 0.02 0.00 0.00 0.00 0.00 19.45 18.26 3mfi n ALA 116 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3mfi n LYS 117 N -1.61 3.41 -3.98 0.00 5.02 -0.76 -5.02 118.16 115.23 3mfi n LYS 117 Ca 0.06 -4.20 -0.24 0.00 -2.02 0.00 0.00 58.31 51.92 3mfi n LYS 117 Cb 0.35 -2.27 -0.03 0.00 -0.02 0.00 0.00 35.03 33.07 3mfi n LYS 117 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3mfi s GLN 118 N -3.63 3.36 -0.51 1.97 -1.52 -1.26 -1.66 119.66 116.41 3mfi s GLN 118 Ca 0.51 -0.72 0.04 0.00 -1.95 0.00 0.00 55.36 53.23 3mfi s GLN 118 Cb 0.42 -2.88 0.13 0.00 -0.22 0.00 0.00 33.01 30.46 3mfi s GLN 118 CO -0.09 0.47 0.26 0.42 -0.25 0.00 0.00 175.29 176.10 3mfi s ILE 119 N -1.87 2.36 0.17 1.08 1.01 -1.26 -4.75 121.20 117.93 3mfi s ILE 119 Ca 0.34 -3.20 -0.31 0.00 0.00 0.00 0.00 60.65 57.49 3mfi s ILE 119 Cb -0.10 -2.64 -0.09 0.00 0.01 0.00 0.00 42.46 39.64 3mfi s ILE 119 CO 0.28 -0.82 1.42 -0.55 0.00 0.00 0.00 174.94 175.27 3mfi s SER 120 N -0.19 6.75 0.58 3.58 0.15 -1.26 -4.90 113.70 118.42 3mfi s SER 120 Ca 0.17 2.47 0.36 0.00 0.70 0.00 0.00 55.95 59.66 3mfi s SER 120 Cb -0.25 -2.60 1.72 0.00 -1.71 0.00 0.00 66.02 63.18 3mfi s SER 120 CO -0.00 -0.67 2.12 1.62 1.20 0.00 0.00 173.24 177.51 3mfi h VAL 121 N 3.96 0.10 -0.03 4.45 3.04 -1.99 -2.89 116.25 122.89 3mfi h VAL 121 Ca -0.43 -0.37 -0.13 0.00 -1.01 0.00 0.00 66.70 64.76 3mfi h VAL 121 Cb 1.21 1.33 -0.02 0.00 -2.01 0.00 0.00 31.29 31.80 3mfi h VAL 121 CO 0.84 0.03 -0.59 -0.33 -1.01 0.00 0.00 177.57 176.50 3mfi h GLU 122 N 0.00 0.09 0.00 4.17 4.39 -1.93 -3.36 114.58 117.93 3mfi h GLU 122 Ca -0.00 -0.06 -0.05 0.00 0.34 0.00 0.00 59.36 59.59 3mfi h GLU 122 Cb 0.33 0.01 -0.10 0.00 -0.10 0.00 0.00 28.75 28.88 3mfi h GLU 122 CO 0.00 0.65 -0.53 -0.40 -1.16 0.00 0.00 179.01 177.58 3mfi n ASP 123 N -3.85 1.16 -4.21 1.42 3.85 -1.14 -4.91 116.55 108.87 3mfi n ASP 123 Ca -0.02 -2.65 -0.15 0.00 -0.71 0.00 0.00 54.79 51.27 3mfi n ASP 123 Cb 0.60 -0.35 -0.11 0.00 -1.35 0.00 0.00 41.12 39.91 3mfi n ASP 123 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.20 175.19 3mfi s HIS 124 N -1.34 1.16 0.23 2.11 3.76 -1.10 -0.46 115.29 119.64 3mfi s HIS 124 Ca 0.24 -0.68 0.10 0.00 -0.15 0.00 0.00 55.06 54.56 3mfi s HIS 124 Cb 0.24 -0.62 -0.05 0.00 1.11 0.00 0.00 32.58 33.27 3mfi s HIS 124 CO -0.05 0.04 -0.17 -1.59 -0.85 0.00 0.00 174.74 172.11 3mfi s LYS 125 N -3.10 1.46 0.45 1.40 -2.85 -0.32 -4.85 119.74 111.93 3mfi s LYS 125 Ca 0.09 -1.63 -0.22 0.00 -1.00 0.00 0.00 55.97 53.22 3mfi s LYS 125 Cb -0.01 -1.42 -0.08 0.00 -2.06 0.00 0.00 37.83 34.25 3mfi s LYS 125 CO 0.00 0.26 1.06 0.08 0.10 0.00 0.00 175.35 176.86 3mfi s VAL 126 N -2.61 3.65 -0.18 1.79 1.01 -1.26 -0.83 120.40 121.97 3mfi s VAL 126 Ca 0.24 1.15 -0.02 0.00 0.00 0.00 0.00 61.98 63.35 3mfi s VAL 126 Cb -0.03 -3.53 -0.01 0.00 0.00 0.00 0.00 36.38 32.80 3mfi s VAL 126 CO 0.10 -0.11 -0.09 -0.55 0.00 0.00 0.00 175.10 174.46 3mfi s SER 127 N -1.73 4.16 0.00 3.32 0.15 -0.37 -4.67 113.70 114.56 3mfi s SER 127 Ca 0.63 -0.36 0.21 0.00 0.70 0.00 0.00 55.95 57.13 3mfi s SER 127 Cb -0.20 -1.68 0.55 0.00 -1.71 0.00 0.00 66.02 62.97 3mfi s SER 127 CO 0.25 0.07 1.46 0.18 1.20 0.00 0.00 173.24 176.40 3mfi n LEU 128 N 4.18 3.30 -0.03 3.45 4.77 -1.26 -4.02 117.00 127.40 3mfi n LEU 128 Ca -0.18 -1.58 0.03 0.00 -0.03 0.00 0.00 56.01 54.25 3mfi n LEU 128 Cb 0.52 -0.36 0.38 0.00 -2.33 0.00 0.00 43.42 41.62 3mfi n LEU 128 CO 0.30 0.79 1.13 -0.08 -1.33 0.00 0.00 177.39 178.19 3mfi h GLU 129 N 3.82 0.59 -0.94 3.23 4.57 -1.96 -1.45 114.58 122.44 3mfi h GLU 129 Ca 0.00 -0.05 0.06 0.00 -1.18 0.00 0.00 59.36 58.19 3mfi h GLU 129 Cb 0.86 -0.13 -0.06 0.00 -0.16 0.00 0.00 28.75 29.27 3mfi h GLU 129 CO 0.00 0.43 0.61 -1.35 -1.18 0.00 0.00 179.01 177.53 3mfi h PRO 130 N 0.60 1.05 -0.35 0.92 0.11 -2.00 0.58 132.00 132.91 3mfi h PRO 130 Ca 0.16 -0.06 -0.16 0.00 0.11 0.00 0.00 66.00 66.04 3mfi h PRO 130 Cb 0.01 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 30.87 3mfi h PRO 130 CO -0.03 0.70 -0.41 1.88 -0.21 0.00 0.00 178.00 179.93 3mfi h TYR 131 N 1.09 1.05 -0.51 0.65 0.99 -1.64 -2.66 116.97 115.93 3mfi h TYR 131 Ca 0.40 -0.32 -0.06 0.00 2.00 0.00 0.00 58.73 60.76 3mfi h TYR 131 Cb 0.18 -0.22 -0.02 0.00 1.00 0.00 0.00 36.73 37.67 3mfi h TYR 131 CO -0.00 1.13 0.09 0.00 -0.00 0.00 0.00 178.16 179.38 3mfi h ARG 132 N 0.71 0.85 -0.59 4.88 3.08 -0.79 -0.84 114.38 121.68 3mfi h ARG 132 Ca 0.05 -0.22 0.01 0.00 0.07 0.00 0.00 59.98 59.89 3mfi h ARG 132 Cb 0.99 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.91 3mfi h ARG 132 CO 0.10 0.83 0.39 0.00 -1.07 0.00 0.00 179.97 180.21 3mfi h ARG 133 N 0.73 0.76 -0.35 0.04 3.08 -0.88 -1.20 114.38 116.56 3mfi h ARG 133 Ca 0.16 -0.05 -0.12 0.00 0.07 0.00 0.00 59.98 60.04 3mfi h ARG 133 Cb 0.39 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 3mfi h ARG 133 CO 0.01 0.50 -0.26 0.93 -1.07 0.00 0.00 179.97 180.08 3mfi h GLU 134 N 0.78 0.72 -0.87 0.04 4.39 -1.27 -2.26 114.58 116.11 3mfi h GLU 134 Ca 0.22 -0.30 0.02 0.00 0.34 0.00 0.00 59.36 59.63 3mfi h GLU 134 Cb -0.08 -0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 28.50 3mfi h GLU 134 CO -0.05 0.91 0.57 1.03 -1.16 0.00 0.00 179.01 180.30 3mfi h SER 135 N 0.62 0.96 0.09 1.42 0.87 -0.84 -1.62 113.55 115.04 3mfi h SER 135 Ca 0.08 -0.02 -0.11 0.00 -1.23 0.00 0.00 61.79 60.52 3mfi h SER 135 Cb 0.77 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.49 3mfi h SER 135 CO 0.06 0.67 -0.36 0.03 -0.53 0.00 0.00 176.83 176.71 3mfi h ARG 136 N 1.12 0.38 -0.48 2.24 3.08 -0.96 -0.47 114.38 119.29 3mfi h ARG 136 Ca 0.33 -0.17 -0.08 0.00 0.07 0.00 0.00 59.98 60.14 3mfi h ARG 136 Cb -0.06 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 3mfi h ARG 136 CO -0.09 0.69 -0.01 0.87 -1.07 0.00 0.00 179.97 180.35 3mfi h LYS 137 N 0.32 0.85 -0.47 0.04 1.57 -1.03 -1.91 116.57 115.94 3mfi h LYS 137 Ca 0.04 -0.28 -0.01 0.00 -1.87 0.00 0.00 60.65 58.53 3mfi h LYS 137 Cb 0.78 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.00 3mfi h LYS 137 CO 0.06 0.90 0.25 0.00 -0.57 0.00 0.00 179.45 180.09 3mfi h ALA 138 N 0.92 0.61 -0.79 3.86 0.00 -1.06 -2.74 119.26 120.06 3mfi h ALA 138 Ca 0.13 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.01 3mfi h ALA 138 Cb 0.52 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.06 3mfi h ALA 138 CO 0.03 0.15 0.47 1.25 0.00 0.00 0.00 179.25 181.14 3mfi h LEU 139 N 0.62 0.72 -1.23 0.00 5.85 -0.85 -0.25 115.31 120.17 3mfi h LEU 139 Ca 0.17 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 3mfi h LEU 139 Cb 0.08 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 3mfi h LEU 139 CO -0.02 0.46 0.37 0.00 -0.34 0.00 0.00 178.44 178.90 3mfi h ALA 140 N 1.39 1.42 -0.20 1.25 0.00 -1.15 -0.32 119.26 121.64 3mfi h ALA 140 Ca 0.35 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 55.07 3mfi h ALA 140 Cb 0.20 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 3mfi h ALA 140 CO -0.18 0.49 -0.26 0.82 0.00 0.00 0.00 179.25 180.11 3mfi h ILE 141 N 0.91 1.33 -0.70 0.00 2.04 -1.00 -1.93 117.51 118.16 3mfi h ILE 141 Ca 0.23 -1.45 0.02 0.00 1.00 0.00 0.00 64.86 64.66 3mfi h ILE 141 Cb 0.00 1.80 -0.04 0.00 -0.74 0.00 0.00 36.82 37.84 3mfi h ILE 141 CO -0.04 0.44 0.45 -0.26 0.00 0.00 0.00 178.15 178.75 3mfi h PHE 142 N 0.20 0.85 0.00 1.37 0.05 -0.73 -2.37 116.94 116.31 3mfi h PHE 142 Ca 0.02 0.02 -0.09 0.00 3.82 0.00 0.00 57.97 61.75 3mfi h PHE 142 Cb 0.82 -0.28 -0.01 0.00 2.00 0.00 0.00 35.95 38.48 3mfi h PHE 142 CO 0.08 0.51 -0.44 0.87 -0.18 0.00 0.00 178.31 179.16 3mfi h LYS 143 N 0.90 0.00 -0.38 1.51 1.57 -1.04 -0.79 116.57 118.34 3mfi h LYS 143 Ca 0.27 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.98 3mfi h LYS 143 Cb -0.04 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 3mfi h LYS 143 CO -0.08 0.44 -0.05 2.35 -0.57 0.00 0.00 179.45 181.53 3mfi h TRP 144 N 0.00 0.67 0.00 -1.35 7.01 -1.00 -3.26 115.95 118.01 3mfi h TRP 144 Ca -0.00 -0.09 -0.17 0.00 2.11 0.00 0.00 58.89 60.74 3mfi h TRP 144 Cb 0.87 -0.18 -0.03 0.00 -2.10 0.00 0.00 29.16 27.72 3mfi h TRP 144 CO 0.00 0.67 -1.15 0.00 -2.79 0.00 0.00 178.44 175.17 3mfi h ALA 145 N 1.36 0.64 -3.39 2.65 0.00 -0.90 -3.47 119.26 116.15 3mfi h ALA 145 Ca 0.11 -0.80 -0.20 0.00 0.00 0.00 0.00 54.91 54.02 3mfi h ALA 145 Cb 0.45 0.16 -0.28 0.00 0.00 0.00 0.00 17.79 18.12 3mfi h ALA 145 CO 0.02 0.93 -0.57 0.00 0.00 0.00 0.00 179.25 179.63 3mfi n ASP 147 N 3.22 0.09 -3.44 0.00 3.85 -1.26 -4.38 116.55 114.62 3mfi n ASP 147 Ca -0.15 -0.04 -0.19 0.00 -0.71 0.00 0.00 54.79 53.71 3mfi n ASP 147 Cb 0.58 -0.29 -0.11 0.00 -1.35 0.00 0.00 41.12 39.95 3mfi n ASP 147 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.20 175.97 3mfi s LEU 148 N -2.69 -0.13 -0.09 -2.12 2.96 -1.26 -5.09 118.68 110.27 3mfi s LEU 148 Ca 0.24 -0.62 0.02 0.00 -0.22 0.00 0.00 54.13 53.55 3mfi s LEU 148 Cb 0.20 0.40 0.01 0.00 0.50 0.00 0.00 46.19 47.30 3mfi s LEU 148 CO 0.49 -0.37 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.32 3mfi s VAL 149 N 2.33 1.31 -0.26 1.68 1.01 -1.26 -1.73 120.40 123.47 3mfi s VAL 149 Ca 0.09 -0.55 -0.06 0.00 0.00 0.00 0.00 61.98 61.46 3mfi s VAL 149 Cb -0.15 -1.20 -0.00 0.00 0.00 0.00 0.00 36.38 35.03 3mfi s VAL 149 CO -0.27 0.40 0.04 -0.70 0.00 0.00 0.00 175.10 174.57 3mfi s GLU 150 N 0.85 3.26 -0.36 2.72 2.12 0.00 -4.36 118.70 122.94 3mfi s GLU 150 Ca -0.10 -0.73 -0.29 0.00 0.36 0.00 0.00 54.97 54.21 3mfi s GLU 150 Cb -0.15 -3.24 0.02 0.00 0.26 0.00 0.00 34.13 31.01 3mfi s GLU 150 CO 0.01 -0.32 1.18 0.50 -0.54 0.00 0.00 175.26 176.08 3mfi s ARG 151 N 1.51 3.91 -0.02 4.30 3.52 -1.26 -1.06 118.95 129.83 3mfi s ARG 151 Ca 0.04 0.99 0.19 0.00 -0.13 0.00 0.00 55.73 56.82 3mfi s ARG 151 Cb -0.16 -3.84 -0.22 0.00 -1.56 0.00 0.00 34.95 29.18 3mfi s ARG 151 CO 0.01 -1.12 0.53 0.00 -0.81 0.00 0.00 175.30 173.91 3mfi n ALA 152 N 7.44 2.15 -3.53 6.12 0.00 -0.57 -4.91 120.51 127.21 3mfi n ALA 152 Ca 0.13 -0.72 0.07 0.00 0.00 0.00 0.00 53.44 52.93 3mfi n ALA 152 Cb 0.47 -0.70 0.01 0.00 0.00 0.00 0.00 19.45 19.23 3mfi n ALA 152 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3mfi n SER 153 N -2.63 -0.82 0.17 0.00 3.41 -1.21 -4.97 113.62 107.57 3mfi n SER 153 Ca -0.13 -1.32 0.11 0.00 -0.26 0.00 0.00 58.87 57.27 3mfi n SER 153 Cb 0.81 1.31 0.64 0.00 -0.26 0.00 0.00 64.21 66.72 3mfi n SER 153 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 3mfi h ILE 154 N 1.55 0.92 0.00 -1.33 2.10 -2.00 -2.82 117.51 115.94 3mfi h ILE 154 Ca -0.14 -0.01 0.00 0.00 1.08 0.00 0.00 64.86 65.79 3mfi h ILE 154 Cb 0.66 0.89 0.00 0.00 -1.09 0.00 0.00 36.82 37.29 3mfi h ILE 154 CO 0.19 0.01 -0.12 -0.90 -1.08 0.00 0.00 178.15 176.24 3mfi n ASP 155 N -4.49 1.66 -4.18 2.19 3.85 -1.26 -4.70 116.55 109.62 3mfi n ASP 155 Ca 0.01 -2.66 -0.26 0.00 -0.71 0.00 0.00 54.79 51.18 3mfi n ASP 155 Cb 0.25 -0.32 -0.15 0.00 -1.35 0.00 0.00 41.12 39.54 3mfi n ASP 155 CO 0.00 0.00 0.00 -1.61 -1.01 0.00 0.00 177.20 174.58 3mfi s GLU 156 N -1.91 1.52 0.06 0.11 2.02 -1.06 -1.43 118.70 118.01 3mfi s GLU 156 Ca 0.20 -0.66 0.02 0.00 0.02 0.00 0.00 54.97 54.56 3mfi s GLU 156 Cb 0.18 -1.46 -0.03 0.00 0.10 0.00 0.00 34.13 32.92 3mfi s GLU 156 CO 0.02 0.39 -0.08 0.14 0.02 0.00 0.00 175.26 175.75 3mfi s VAL 157 N -0.41 0.64 -0.06 2.63 -7.23 -0.50 -1.51 120.40 113.95 3mfi s VAL 157 Ca 0.07 -1.36 -0.01 0.00 -1.81 0.00 0.00 61.98 58.86 3mfi s VAL 157 Cb -0.07 -0.98 -0.03 0.00 0.56 0.00 0.00 36.38 35.86 3mfi s VAL 157 CO -0.01 -0.52 -0.00 -0.36 -0.31 0.00 0.00 175.10 173.90 3mfi s PHE 158 N -2.06 3.13 -0.04 2.82 0.40 -0.23 -0.92 117.98 121.07 3mfi s PHE 158 Ca -0.03 0.16 0.06 0.00 -0.60 0.00 0.00 56.93 56.52 3mfi s PHE 158 Cb -0.05 -1.76 -0.02 0.00 0.51 0.00 0.00 43.02 41.71 3mfi s PHE 158 CO -0.01 0.46 -0.24 -0.51 0.70 0.00 0.00 175.22 175.62 3mfi s LEU 159 N -1.04 2.13 -0.43 -0.37 1.43 0.15 -0.82 118.68 119.72 3mfi s LEU 159 Ca 0.15 -0.47 -0.17 0.00 -1.03 0.00 0.00 54.13 52.61 3mfi s LEU 159 Cb -0.11 -1.38 0.03 0.00 0.03 0.00 0.00 46.19 44.76 3mfi s LEU 159 CO 0.04 0.28 0.45 -0.62 0.23 0.00 0.00 176.35 176.73 3mfi s ASP 160 N -0.37 6.19 0.00 2.29 2.15 -0.71 -1.28 116.67 124.96 3mfi s ASP 160 Ca 0.03 -0.76 0.10 0.00 0.43 0.00 0.00 52.55 52.35 3mfi s ASP 160 Cb -0.12 -2.23 0.29 0.00 -0.30 0.00 0.00 42.92 40.57 3mfi s ASP 160 CO 0.02 -0.62 1.24 0.18 -0.17 0.00 0.00 175.17 175.82 3mfi n LEU 161 N 5.62 1.75 -0.14 -1.34 4.77 -0.27 -4.55 117.00 122.85 3mfi n LEU 161 Ca -0.08 -0.87 -0.03 0.00 -0.03 0.00 0.00 56.01 55.00 3mfi n LEU 161 Cb 0.47 -0.22 0.05 0.00 -2.33 0.00 0.00 43.42 41.39 3mfi n LEU 161 CO 0.47 0.44 0.87 1.23 -1.33 0.00 0.00 177.39 179.07 3mfi h GLY 162 N 5.28 0.50 1.04 -0.72 0.00 -1.81 -0.03 103.07 107.34 3mfi h GLY 162 Ca 0.00 0.02 -0.08 0.00 0.00 0.00 0.00 47.33 47.27 3mfi h GLY 162 CO 0.00 -0.09 0.02 3.21 0.00 0.00 0.00 176.54 179.68 3mfi h ARG 163 N 0.16 0.97 -0.39 4.80 -0.00 -1.78 -0.66 114.38 117.48 3mfi h ARG 163 Ca 0.23 -0.30 -0.04 0.00 -0.50 0.00 0.00 59.98 59.37 3mfi h ARG 163 Cb 0.32 -0.09 -0.02 0.00 0.00 0.00 0.00 29.97 30.18 3mfi h ARG 163 CO -0.34 0.96 0.08 0.82 0.00 0.00 0.00 179.97 181.49 3mfi h ILE 164 N 0.85 1.23 -0.35 2.04 2.04 -1.75 -0.37 117.51 121.20 3mfi h ILE 164 Ca 0.16 -0.81 -0.04 0.00 1.00 0.00 0.00 64.86 65.16 3mfi h ILE 164 Cb 0.51 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 3mfi h ILE 164 CO 0.02 0.28 0.05 0.00 0.00 0.00 0.00 178.15 178.51 3mfi h PHE 166 N 0.41 0.54 -0.62 0.00 3.57 -1.03 -0.30 116.94 119.51 3mfi h PHE 166 Ca 0.11 -0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.51 3mfi h PHE 166 Cb 0.36 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.91 3mfi h PHE 166 CO 0.02 0.49 0.14 -0.91 -2.23 0.00 0.00 178.31 175.82 3mfi h ASN 167 N 0.44 0.93 -0.18 0.41 2.35 -0.99 -1.25 115.58 117.28 3mfi h ASN 167 Ca 0.12 -0.19 -0.03 0.00 -0.55 0.00 0.00 56.30 55.66 3mfi h ASN 167 Cb 0.17 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 3mfi h ASN 167 CO -0.01 0.90 0.00 -0.03 -1.65 0.00 0.00 177.43 176.65 3mfi h MET 168 N 0.94 0.32 -0.70 0.81 4.05 -0.96 -0.22 114.93 119.16 3mfi h MET 168 Ca 0.20 -0.10 0.09 0.00 -0.28 0.00 0.00 59.70 59.61 3mfi h MET 168 Cb 0.35 -0.03 -0.07 0.00 -0.80 0.00 0.00 31.60 31.05 3mfi h MET 168 CO 0.00 0.52 0.35 1.25 0.23 0.00 0.00 176.91 179.26 3mfi h LEU 169 N 0.07 0.46 0.00 3.39 5.85 -0.76 -2.92 115.31 121.41 3mfi h LEU 169 Ca 0.05 0.06 -0.27 0.00 0.84 0.00 0.00 57.88 58.56 3mfi h LEU 169 Cb 0.37 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.33 3mfi h LEU 169 CO 0.01 0.26 -1.97 0.23 -0.34 0.00 0.00 178.44 176.64 3mfi n MET 170 N -4.86 0.66 0.00 1.25 2.81 -0.50 -4.73 117.12 111.74 3mfi n MET 170 Ca 0.11 0.11 0.00 0.00 -1.81 0.00 0.00 57.70 56.10 3mfi n MET 170 Cb 0.27 -1.65 0.00 0.00 -0.71 0.00 0.00 33.22 31.12 3mfi n MET 170 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 3mfi n PHE 171 N -2.81 0.00 -2.39 2.03 0.99 -0.10 -4.95 117.46 110.22 3mfi n PHE 171 Ca -0.21 0.00 -0.43 0.00 -0.00 0.00 0.00 57.45 56.81 3mfi n PHE 171 Cb 1.01 0.00 -0.02 0.00 -1.00 0.00 0.00 39.48 39.47 3mfi n PHE 171 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 3mfi s ASP 172 N -1.11 6.51 0.00 4.37 -1.08 -1.10 -4.87 116.67 119.39 3mfi s ASP 172 Ca 0.00 1.03 0.20 0.00 -0.52 0.00 0.00 52.55 53.26 3mfi s ASP 172 Cb 0.00 -2.54 0.38 0.00 -1.46 0.00 0.00 42.92 39.30 3mfi s ASP 172 CO 0.00 -1.25 1.32 0.59 0.52 0.00 0.00 175.17 176.35 3mfi n ASN 173 N 8.18 3.24 -0.00 -0.34 3.02 -1.26 -4.23 115.26 123.87 3mfi n ASN 173 Ca 0.16 -1.93 0.03 0.00 -0.03 0.00 0.00 54.58 52.80 3mfi n ASN 173 Cb 0.47 -0.23 -0.04 0.00 -0.61 0.00 0.00 39.78 39.37 3mfi n ASN 173 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3mfi n GLU 174 N 1.26 1.12 -1.72 3.52 1.02 -1.26 -4.87 120.64 119.71 3mfi n GLU 174 Ca 0.17 -0.04 -0.42 0.00 -0.02 0.00 0.00 57.16 56.85 3mfi n GLU 174 Cb 0.54 -1.06 -0.03 0.00 -0.02 0.00 0.00 31.44 30.87 3mfi n GLU 174 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 3mfi s TYR 175 N -2.23 2.81 -0.16 -0.32 5.04 -1.26 -4.92 117.35 116.31 3mfi s TYR 175 Ca -0.01 0.29 -0.06 0.00 -2.44 0.00 0.00 57.07 54.85 3mfi s TYR 175 Cb 0.04 -4.15 -0.04 0.00 0.35 0.00 0.00 41.96 38.16 3mfi s TYR 175 CO 0.23 -4.41 0.04 -1.21 -1.34 0.00 0.00 175.55 168.87 3mfi s GLU 176 N 1.38 3.74 -0.20 4.97 2.02 -1.26 -1.08 118.70 128.27 3mfi s GLU 176 Ca 0.76 -0.37 -0.23 0.00 0.02 0.00 0.00 54.97 55.15 3mfi s GLU 176 Cb -0.49 -3.09 -0.20 0.00 0.10 0.00 0.00 34.13 30.45 3mfi s GLU 176 CO 0.33 0.37 0.30 -0.07 0.02 0.00 0.00 175.26 176.20 3mfi h LEU 177 N 6.34 0.00 -9.35 1.80 4.07 -1.20 -3.46 115.31 113.51 3mfi h LEU 177 Ca -0.39 -0.58 -0.52 0.00 0.08 0.00 0.00 57.88 56.47 3mfi h LEU 177 Cb 1.18 0.00 -0.13 0.00 1.08 0.00 0.00 40.66 42.78 3mfi h LEU 177 CO 0.66 1.40 -0.54 0.42 -1.08 0.00 0.00 178.44 179.30 3mfi s THR 178 N -2.34 0.72 0.33 0.22 -4.23 -0.73 -4.86 115.64 104.74 3mfi s THR 178 Ca -0.27 -2.00 0.38 0.00 -1.18 0.00 0.00 61.69 58.62 3mfi s THR 178 Cb 0.04 -2.46 0.40 0.00 1.34 0.00 0.00 72.50 71.82 3mfi s THR 178 CO 0.60 0.00 2.14 1.23 -0.54 0.00 0.00 174.62 178.05 3mfi h GLY 179 N 1.90 0.00 -1.13 3.99 0.00 -2.03 -2.83 103.07 102.97 3mfi h GLY 179 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.96 3mfi h GLY 179 CO 0.60 0.00 0.00 1.22 0.00 0.00 0.00 176.54 178.36 3mfi n ASP 180 N -2.99 2.26 -3.61 0.19 9.92 -1.26 -5.00 116.55 116.06 3mfi n ASP 180 Ca -0.01 -1.62 -0.16 0.00 -0.53 0.00 0.00 54.79 52.46 3mfi n ASP 180 Cb 0.17 -0.05 -0.14 0.00 -0.64 0.00 0.00 41.12 40.46 3mfi n ASP 180 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 3mfi s LEU 181 N -1.07 -0.15 0.28 0.64 2.96 -1.07 -5.11 118.68 115.16 3mfi s LEU 181 Ca 0.17 0.24 -0.05 0.00 -0.22 0.00 0.00 54.13 54.27 3mfi s LEU 181 Cb 0.11 0.43 -0.05 0.00 0.50 0.00 0.00 46.19 47.18 3mfi s LEU 181 CO 0.17 -0.27 0.55 -0.54 -1.32 0.00 0.00 176.35 174.94 3mfi s LYS 182 N 2.34 3.64 0.28 1.98 1.02 -1.26 -0.68 119.74 127.07 3mfi s LYS 182 Ca 0.04 0.02 0.02 0.00 0.02 0.00 0.00 55.97 56.07 3mfi s LYS 182 Cb -0.13 -2.65 0.59 0.00 -0.52 0.00 0.00 37.83 35.12 3mfi s LYS 182 CO -0.08 0.22 1.80 1.25 -0.92 0.00 0.00 175.35 177.62 3mfi h LEU 183 N 1.76 0.80 -1.71 3.17 5.85 -1.43 -1.43 115.31 122.33 3mfi h LEU 183 Ca -0.48 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.29 3mfi h LEU 183 Cb 1.19 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.13 3mfi h LEU 183 CO 0.66 0.37 -0.03 0.07 -0.34 0.00 0.00 178.44 179.18 3mfi h LYS 184 N 0.85 0.14 0.14 1.25 2.10 -1.79 -1.09 116.57 118.16 3mfi h LYS 184 Ca 0.51 -0.02 -0.33 0.00 -2.00 0.00 0.00 60.65 58.81 3mfi h LYS 184 Cb 0.63 -0.03 -0.00 0.00 -0.90 0.00 0.00 32.23 31.93 3mfi h LYS 184 CO -0.32 0.19 -1.69 -0.44 -2.00 0.00 0.00 179.45 175.19 3mfi h ASP 185 N 0.14 0.47 -0.89 7.07 3.32 -1.69 -3.09 116.42 121.76 3mfi h ASP 185 Ca 0.03 -0.73 0.06 0.00 0.02 0.00 0.00 57.03 56.42 3mfi h ASP 185 Cb 0.15 -0.15 -0.06 0.00 0.22 0.00 0.00 39.33 39.49 3mfi h ASP 185 CO 0.01 1.62 0.58 0.00 -1.72 0.00 0.00 179.24 179.72 3mfi h ALA 186 N 0.31 1.52 -0.87 3.45 0.00 -1.05 -2.82 119.26 119.81 3mfi h ALA 186 Ca -0.31 -0.03 -0.45 0.00 0.00 0.00 0.00 54.91 54.12 3mfi h ALA 186 Cb 2.06 -0.27 -0.27 0.00 0.00 0.00 0.00 17.79 19.31 3mfi h ALA 186 CO 0.16 0.36 0.50 1.28 0.00 0.00 0.00 179.25 181.55 3mfi n LEU 187 N -4.48 6.22 -0.34 0.00 4.77 -0.44 -4.58 117.00 118.14 3mfi n LEU 187 Ca 0.13 -3.66 -0.01 0.00 -0.03 0.00 0.00 56.01 52.44 3mfi n LEU 187 Cb 0.19 -0.80 0.15 0.00 -2.33 0.00 0.00 43.42 40.62 3mfi n LEU 187 CO 0.33 1.11 1.28 0.77 -1.33 0.00 0.00 177.39 179.55 3mfi h SER 188 N 1.01 1.08 0.15 -1.43 4.64 -1.41 -1.89 113.55 115.71 3mfi h SER 188 Ca 0.55 -0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.84 3mfi h SER 188 Cb 2.60 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 64.43 3mfi h SER 188 CO 0.97 0.78 -0.07 -1.13 -0.87 0.00 0.00 176.83 176.50 3mfi h ASN 189 N 1.27 -0.17 -0.18 4.97 -0.73 -1.87 -1.20 115.58 117.67 3mfi h ASN 189 Ca 0.35 -0.21 -0.10 0.00 1.87 0.00 0.00 56.30 58.22 3mfi h ASN 189 Cb -0.13 0.04 -0.01 0.00 0.27 0.00 0.00 38.32 38.49 3mfi h ASN 189 CO -0.08 0.12 -0.21 -0.29 -0.37 0.00 0.00 177.43 176.59 3mfi h ILE 190 N -0.46 1.26 -0.28 2.57 2.10 -1.91 -2.13 117.51 118.66 3mfi h ILE 190 Ca -0.02 -1.26 -0.14 0.00 1.08 0.00 0.00 64.86 64.52 3mfi h ILE 190 Cb 0.36 1.24 -0.01 0.00 -1.09 0.00 0.00 36.82 37.33 3mfi h ILE 190 CO 0.03 0.41 -0.39 0.03 -1.08 0.00 0.00 178.15 177.16 3mfi h ARG 191 N 0.55 0.66 -0.50 2.19 3.08 -1.35 -0.54 114.38 118.48 3mfi h ARG 191 Ca 0.08 -0.34 0.01 0.00 0.07 0.00 0.00 59.98 59.81 3mfi h ARG 191 Cb 0.67 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.69 3mfi h ARG 191 CO 0.05 0.94 0.32 1.49 -1.07 0.00 0.00 179.97 181.69 3mfi h GLU 192 N 0.55 0.62 -0.49 0.04 4.81 -0.95 0.20 114.58 119.35 3mfi h GLU 192 Ca 0.05 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.18 3mfi h GLU 192 Cb 0.91 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 30.13 3mfi h GLU 192 CO 0.08 0.41 0.06 0.00 -0.73 0.00 0.00 179.01 178.83 3mfi h ALA 193 N 1.20 0.65 -0.07 2.92 0.00 -1.17 0.48 119.26 123.27 3mfi h ALA 193 Ca 0.19 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3mfi h ALA 193 Cb -0.03 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 3mfi h ALA 193 CO -0.06 0.40 -0.02 0.35 0.00 0.00 0.00 179.25 179.92 3mfi h PHE 194 N 0.69 0.15 -0.61 0.00 3.57 -0.87 -0.68 116.94 119.19 3mfi h PHE 194 Ca 0.15 -0.04 -0.10 0.00 3.53 0.00 0.00 57.97 61.51 3mfi h PHE 194 Cb 0.42 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.10 3mfi h PHE 194 CO 0.03 0.48 0.00 0.82 -2.23 0.00 0.00 178.31 177.41 3mfi h ILE 195 N -0.22 1.27 -0.30 1.41 1.08 -0.97 -2.74 117.51 117.04 3mfi h ILE 195 Ca 0.02 -1.16 0.01 0.00 -0.39 0.00 0.00 64.86 63.34 3mfi h ILE 195 Cb 0.44 0.79 -0.02 0.00 -3.07 0.00 0.00 36.82 34.96 3mfi h ILE 195 CO 0.01 0.42 0.20 1.23 -0.69 0.00 0.00 178.15 179.32 3mfi h GLY 196 N 0.99 0.39 -0.23 5.37 0.00 -0.85 -3.47 103.07 105.28 3mfi h GLY 196 Ca 0.17 -0.14 -0.10 0.00 0.00 0.00 0.00 47.33 47.26 3mfi h GLY 196 CO 0.03 0.14 -0.09 0.61 0.00 0.00 0.00 176.54 177.23 3mfi n GLY 197 N -1.50 0.73 1.59 4.60 0.00 -0.27 -4.90 105.19 105.44 3mfi n GLY 197 Ca 0.02 -0.48 0.08 0.00 0.00 0.00 0.00 46.02 45.64 3mfi n GLY 197 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3mfi n ASN 198 N 0.43 5.05 -4.88 1.61 6.94 -1.25 -4.97 115.26 118.21 3mfi n ASN 198 Ca -0.05 -2.76 -0.30 0.00 -0.02 0.00 0.00 54.58 51.45 3mfi n ASN 198 Cb 0.22 -0.61 -0.02 0.00 -2.36 0.00 0.00 39.78 37.00 3mfi n ASN 198 CO 0.00 0.00 0.00 -0.72 -1.03 0.00 0.00 177.26 175.51 3mfi s TYR 199 N -2.43 3.50 -0.19 -2.53 -0.85 -1.26 -5.08 117.35 108.51 3mfi s TYR 199 Ca 0.51 1.07 -0.11 0.00 -0.52 0.00 0.00 57.07 58.02 3mfi s TYR 199 Cb 0.37 -2.48 -0.05 0.00 0.38 0.00 0.00 41.96 40.18 3mfi s TYR 199 CO 0.18 -0.23 0.19 0.34 -1.52 0.00 0.00 175.55 174.51 3mfi s ASP 200 N -3.43 6.28 0.53 -0.18 -1.08 -1.26 -4.99 116.67 112.54 3mfi s ASP 200 Ca 0.52 0.32 0.19 0.00 -0.52 0.00 0.00 52.55 53.06 3mfi s ASP 200 Cb -0.10 -2.13 1.34 0.00 -1.46 0.00 0.00 42.92 40.57 3mfi s ASP 200 CO 0.36 0.14 2.11 -0.29 0.52 0.00 0.00 175.17 178.01 3mfi h ILE 201 N 4.71 0.90 -0.01 4.11 6.09 -1.98 -1.13 117.51 130.19 3mfi h ILE 201 Ca -0.41 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.08 3mfi h ILE 201 Cb 1.16 0.93 0.00 0.00 0.47 0.00 0.00 36.82 39.37 3mfi h ILE 201 CO 0.75 0.00 -0.05 0.59 -3.07 0.00 0.00 178.15 176.37 3mfi n ASN 202 N -4.44 1.27 -4.78 2.19 5.03 -1.26 -0.37 115.26 112.90 3mfi n ASN 202 Ca 0.00 -1.31 -0.36 0.00 0.87 0.00 0.00 54.58 53.78 3mfi n ASN 202 Cb 0.23 0.02 -0.04 0.00 -1.02 0.00 0.00 39.78 38.97 3mfi n ASN 202 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 3mfi s SER 203 N -2.12 6.75 0.51 6.41 0.01 -0.43 -4.89 113.70 119.94 3mfi s SER 203 Ca 0.36 2.02 -0.21 0.00 1.31 0.00 0.00 55.95 59.42 3mfi s SER 203 Cb 0.21 -2.58 -0.07 0.00 0.21 0.00 0.00 66.02 63.79 3mfi s SER 203 CO 0.38 -0.50 1.14 -1.00 0.41 0.00 0.00 173.24 173.67 3mfi s HIS 204 N -1.69 2.77 0.73 2.43 3.76 -1.26 -1.68 115.29 120.35 3mfi s HIS 204 Ca 0.58 1.54 -0.14 0.00 -0.15 0.00 0.00 55.06 56.90 3mfi s HIS 204 Cb -0.21 -3.32 0.04 0.00 1.11 0.00 0.00 32.58 30.20 3mfi s HIS 204 CO 0.27 -1.52 1.16 -0.51 -0.85 0.00 0.00 174.74 173.29 3mfi s LEU 205 N -3.47 3.25 0.81 0.89 1.43 0.05 -4.77 118.68 116.87 3mfi s LEU 205 Ca 0.69 2.17 -0.11 0.00 -1.03 0.00 0.00 54.13 55.85 3mfi s LEU 205 Cb -0.25 -4.57 0.08 0.00 0.03 0.00 0.00 46.19 41.48 3mfi s LEU 205 CO 0.30 -2.15 1.10 -2.16 0.23 0.00 0.00 176.35 173.67 3mfi s PRO 206 N -4.16 1.96 0.43 1.29 0.04 -1.26 -2.02 135.00 131.29 3mfi s PRO 206 Ca 0.70 1.15 -0.26 0.00 0.04 0.00 0.00 61.00 62.63 3mfi s PRO 206 Cb -0.24 -1.86 -0.09 0.00 0.04 0.00 0.00 34.50 32.34 3mfi s PRO 206 CO 0.47 -1.85 1.38 1.28 0.04 0.00 0.00 177.00 178.32 3mfi n LEU 207 N -3.66 4.73 -4.62 -3.56 4.77 -1.26 -4.09 117.00 109.30 3mfi n LEU 207 Ca 0.09 1.13 -0.39 0.00 -0.03 0.00 0.00 56.01 56.81 3mfi n LEU 207 Cb 0.53 -1.57 0.04 0.00 -2.33 0.00 0.00 43.42 40.09 3mfi n LEU 207 CO 0.53 -0.29 0.57 2.30 -1.33 0.00 0.00 177.39 179.17 3mfi n ILE 208 N -0.15 3.30 -2.45 -0.08 -5.35 -1.26 -4.95 119.36 108.41 3mfi n ILE 208 Ca 0.05 -0.50 -0.36 0.00 -0.27 0.00 0.00 62.75 61.67 3mfi n ILE 208 Cb 0.41 -1.17 -0.03 0.00 -1.74 0.00 0.00 39.64 37.10 3mfi n ILE 208 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 3mfi s PRO 209 N -2.54 3.97 0.42 6.28 0.04 -1.26 -4.93 135.00 136.97 3mfi s PRO 209 Ca 0.72 1.57 0.11 0.00 0.04 0.00 0.00 61.00 63.43 3mfi s PRO 209 Cb -0.45 -2.42 0.95 0.00 0.04 0.00 0.00 34.50 32.61 3mfi s PRO 209 CO 0.50 -0.33 2.02 0.93 0.04 0.00 0.00 177.00 180.16 3mfi h GLU 210 N 2.19 0.47 0.00 4.56 4.39 -1.93 -2.67 114.58 121.59 3mfi h GLU 210 Ca -0.49 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.16 3mfi h GLU 210 Cb 1.23 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.77 3mfi h GLU 210 CO 0.61 0.31 -0.10 0.87 -1.16 0.00 0.00 179.01 179.54 3mfi h LYS 211 N 0.48 0.00 0.00 2.33 1.57 -1.92 -2.08 116.57 116.96 3mfi h LYS 211 Ca 0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 3mfi h LYS 211 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.57 3mfi h LYS 211 CO -0.06 0.10 0.00 1.51 -0.57 0.00 0.00 179.45 180.43 3mfi n ILE 212 N -3.89 0.67 0.34 1.86 0.13 -1.01 -2.72 119.36 114.74 3mfi n ILE 212 Ca -0.02 0.08 0.06 0.00 -1.10 0.00 0.00 62.75 61.77 3mfi n ILE 212 Cb 0.19 -0.87 0.28 0.00 -0.84 0.00 0.00 39.64 38.40 3mfi n ILE 212 CO 0.00 0.00 0.00 0.29 2.80 0.00 0.00 176.55 179.64 3mfi n LYS 213 N -1.92 0.04 0.00 9.51 5.02 -0.78 -1.49 118.16 128.53 3mfi n LYS 213 Ca 0.04 0.36 0.15 0.00 -2.02 0.00 0.00 58.31 56.84 3mfi n LYS 213 Cb 0.28 -1.59 0.70 0.00 -0.02 0.00 0.00 35.03 34.41 3mfi n LYS 213 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3mfi n SER 214 N -1.66 0.57 -4.75 4.39 3.41 -1.10 -4.83 113.62 109.65 3mfi n SER 214 Ca 0.02 -0.95 -0.41 0.00 -0.26 0.00 0.00 58.87 57.27 3mfi n SER 214 Cb 0.13 -0.03 -0.03 0.00 -0.26 0.00 0.00 64.21 64.02 3mfi n SER 214 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3mfi s LEU 215 N -2.20 4.42 0.01 1.04 2.96 -0.56 -4.81 118.68 119.55 3mfi s LEU 215 Ca 0.38 2.53 -0.00 0.00 -0.22 0.00 0.00 54.13 56.82 3mfi s LEU 215 Cb 0.21 -3.62 -0.04 0.00 0.50 0.00 0.00 46.19 43.24 3mfi s LEU 215 CO 0.40 -0.55 0.11 -0.54 -1.32 0.00 0.00 176.35 174.45 3mfi s LYS 216 N -0.65 3.13 0.32 1.98 1.02 -1.26 -4.98 119.74 119.29 3mfi s LYS 216 Ca 0.55 -0.49 -0.25 0.00 0.02 0.00 0.00 55.97 55.79 3mfi s LYS 216 Cb -0.38 -2.89 -0.10 0.00 -0.52 0.00 0.00 37.83 33.94 3mfi s LYS 216 CO 0.43 0.63 0.93 -0.06 -0.92 0.00 0.00 175.35 176.37 3mfi s PHE 217 N -1.28 3.67 -0.30 3.18 0.40 -1.26 -4.74 117.98 117.65 3mfi s PHE 217 Ca 0.26 1.75 -0.10 0.00 -0.60 0.00 0.00 56.93 58.24 3mfi s PHE 217 Cb -0.12 -2.90 -0.02 0.00 0.51 0.00 0.00 43.02 40.49 3mfi s PHE 217 CO 0.17 0.20 0.16 -2.00 0.70 0.00 0.00 175.22 174.45 3mfi s GLU 218 N -2.12 3.48 0.00 0.44 2.56 -1.26 -4.99 118.70 116.81 3mfi s GLU 218 Ca 0.51 -0.62 0.00 0.00 0.00 0.00 0.00 54.97 54.85 3mfi s GLU 218 Cb -0.18 -3.58 0.00 0.00 2.00 0.00 0.00 34.13 32.37 3mfi s GLU 218 CO 0.23 -0.36 0.00 0.41 -0.56 0.00 0.00 175.26 174.98 3mfi n GLY 219 N 5.00 0.40 3.45 -1.50 0.00 -1.26 -4.73 105.19 106.56 3mfi n GLY 219 Ca -0.14 -2.28 -0.43 0.00 0.00 0.00 0.00 46.02 43.16 3mfi n GLY 219 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3mfi s ASP 220 N -4.00 6.17 -0.26 1.61 1.01 -0.10 -4.98 116.67 116.11 3mfi s ASP 220 Ca 0.00 -0.92 -0.25 0.00 0.71 0.00 0.00 52.55 52.10 3mfi s ASP 220 Cb 0.00 -2.21 -0.00 0.00 1.01 0.00 0.00 42.92 41.72 3mfi s ASP 220 CO 0.00 -0.61 0.85 -0.69 0.21 0.00 0.00 175.17 174.93 3mfi s VAL 221 N 1.98 4.79 -0.28 -1.27 1.01 -1.26 -1.08 120.40 124.30 3mfi s VAL 221 Ca 0.09 1.52 -0.29 0.00 0.00 0.00 0.00 61.98 63.30 3mfi s VAL 221 Cb -0.20 -4.16 -0.02 0.00 0.00 0.00 0.00 36.38 32.01 3mfi s VAL 221 CO 0.11 -0.15 1.60 0.12 0.00 0.00 0.00 175.10 176.78 3mfi s PHE 222 N 2.95 2.14 -0.46 5.22 5.36 -0.25 -4.86 117.98 128.08 3mfi s PHE 222 Ca 0.36 0.61 0.06 0.00 -0.96 0.00 0.00 56.93 57.00 3mfi s PHE 222 Cb -0.15 -4.05 0.31 0.00 -0.34 0.00 0.00 43.02 38.80 3mfi s PHE 222 CO 0.09 -2.70 1.08 -1.71 -1.46 0.00 0.00 175.22 170.52 3mfi n ASN 223 N 8.79 -2.24 0.25 6.13 5.15 -1.26 -4.71 115.26 127.36 3mfi n ASN 223 Ca 0.19 -3.64 0.09 0.00 -0.60 0.00 0.00 54.58 50.63 3mfi n ASN 223 Cb 0.46 1.80 0.64 0.00 -0.53 0.00 0.00 39.78 42.15 3mfi n ASN 223 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 3mfi h PRO 224 N 3.10 0.00 -0.01 1.20 0.13 -1.96 -1.90 132.00 132.56 3mfi h PRO 224 Ca -0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.04 3mfi h PRO 224 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 3mfi h PRO 224 CO 0.17 0.13 -0.01 0.39 -0.23 0.00 0.00 178.00 178.46 3mfi n GLU 225 N -3.99 1.50 -3.54 0.86 -0.58 -1.26 -4.95 120.64 108.68 3mfi n GLU 225 Ca -0.02 -0.75 -0.21 0.00 -0.42 0.00 0.00 57.16 55.75 3mfi n GLU 225 Cb 0.22 -1.48 0.08 0.00 -0.57 0.00 0.00 31.44 29.69 3mfi n GLU 225 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3mfi n GLY 226 N 1.14 -0.47 3.77 0.62 0.00 -0.71 -4.97 105.19 104.56 3mfi n GLY 226 Ca 0.20 0.19 -0.35 0.00 0.00 0.00 0.00 46.02 46.07 3mfi n GLY 226 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mfi s ARG 227 N -5.95 3.14 0.22 1.61 0.52 -1.26 -4.96 118.95 112.26 3mfi s ARG 227 Ca 0.35 1.58 -0.32 0.00 -0.52 0.00 0.00 55.73 56.82 3mfi s ARG 227 Cb -0.16 -1.98 -0.14 0.00 0.52 0.00 0.00 34.95 33.20 3mfi s ARG 227 CO 0.73 -1.01 1.44 -0.25 0.02 0.00 0.00 175.30 176.23 3mfi n ASP 228 N -1.66 2.76 -0.04 0.23 8.00 -1.26 -4.92 116.55 119.66 3mfi n ASP 228 Ca 0.12 1.13 -0.16 0.00 0.71 0.00 0.00 54.79 56.59 3mfi n ASP 228 Cb 0.51 -1.42 -0.07 0.00 -0.02 0.00 0.00 41.12 40.12 3mfi n ASP 228 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3mfi h LEU 229 N 4.58 0.75 -7.63 0.64 3.38 -1.98 -3.41 115.31 111.63 3mfi h LEU 229 Ca -0.45 -0.59 -0.63 0.00 0.09 0.00 0.00 57.88 56.29 3mfi h LEU 229 Cb 1.27 -0.22 -0.39 0.00 0.09 0.00 0.00 40.66 41.42 3mfi h LEU 229 CO 0.78 1.21 -0.76 -0.63 0.09 0.00 0.00 178.44 179.13 3mfi s ILE 230 N -3.88 1.79 0.00 1.22 1.01 -1.26 -4.89 121.20 115.19 3mfi s ILE 230 Ca -0.12 -1.66 0.00 0.00 0.00 0.00 0.00 60.65 58.87 3mfi s ILE 230 Cb 0.07 -2.14 0.00 0.00 0.01 0.00 0.00 42.46 40.40 3mfi s ILE 230 CO 0.85 -0.31 0.00 0.35 0.00 0.00 0.00 174.94 175.83 3mfi n THR 231 N 4.52 0.00 -3.87 2.92 -2.24 -1.26 -4.86 114.28 109.49 3mfi n THR 231 Ca -0.06 -0.26 -0.10 0.00 -2.27 0.00 0.00 64.05 61.36 3mfi n THR 231 Cb 0.43 0.84 0.01 0.00 -2.10 0.00 0.00 70.33 69.51 3mfi n THR 231 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3mfi s ASP 232 N -0.83 0.20 0.49 3.42 -1.08 -1.26 -4.79 116.67 112.82 3mfi s ASP 232 Ca 0.00 -1.21 0.26 0.00 -0.52 0.00 0.00 52.55 51.08 3mfi s ASP 232 Cb 0.00 0.81 1.25 0.00 -1.46 0.00 0.00 42.92 43.52 3mfi s ASP 232 CO 0.00 -1.60 1.98 -0.50 0.52 0.00 0.00 175.17 175.57 3mfi h TRP 233 N 2.02 0.00 -0.66 -5.34 4.06 -1.99 -2.25 115.95 111.80 3mfi h TRP 233 Ca -0.31 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.64 3mfi h TRP 233 Cb 1.25 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 29.38 3mfi h TRP 233 CO 1.38 0.17 0.42 0.38 -3.56 0.00 0.00 178.44 177.22 3mfi h ASP 234 N 0.00 0.77 -0.69 -3.49 2.03 -1.92 -1.39 116.42 111.73 3mfi h ASP 234 Ca -0.00 -0.04 -0.05 0.00 -0.73 0.00 0.00 57.03 56.21 3mfi h ASP 234 Cb 0.49 -0.19 -0.03 0.00 -0.83 0.00 0.00 39.33 38.76 3mfi h ASP 234 CO 0.02 0.58 0.25 0.44 -1.03 0.00 0.00 179.24 179.51 3mfi h ASP 235 N 0.89 0.99 0.08 4.15 3.32 -1.75 -0.39 116.42 123.72 3mfi h ASP 235 Ca 0.24 -0.16 -0.00 0.00 0.02 0.00 0.00 57.03 57.12 3mfi h ASP 235 Cb -0.06 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.23 3mfi h ASP 235 CO -0.05 0.90 -0.04 0.58 -1.72 0.00 0.00 179.24 178.91 3mfi h VAL 236 N 1.04 0.96 -0.45 -1.35 2.07 -1.31 -0.52 116.25 116.68 3mfi h VAL 236 Ca 0.23 -0.13 0.02 0.00 0.82 0.00 0.00 66.70 67.65 3mfi h VAL 236 Cb 0.24 1.04 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 3mfi h VAL 236 CO -0.01 0.03 0.26 0.40 0.02 0.00 0.00 177.57 178.27 3mfi h ILE 237 N -0.17 1.03 -0.74 4.57 1.08 -1.13 -1.65 117.51 120.51 3mfi h ILE 237 Ca -0.01 -0.18 -0.03 0.00 -0.39 0.00 0.00 64.86 64.25 3mfi h ILE 237 Cb 0.14 0.46 -0.03 0.00 -3.07 0.00 0.00 36.82 34.32 3mfi h ILE 237 CO 0.02 0.10 0.34 0.25 -0.69 0.00 0.00 178.15 178.16 3mfi h LEU 238 N 0.52 0.98 -0.39 1.44 5.85 -0.95 0.35 115.31 123.11 3mfi h LEU 238 Ca 0.19 -0.14 -0.05 0.00 0.84 0.00 0.00 57.88 58.71 3mfi h LEU 238 Cb 0.03 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.80 3mfi h LEU 238 CO -0.10 0.85 0.03 0.00 -0.34 0.00 0.00 178.44 178.89 3mfi h ALA 239 N 1.17 0.52 -0.51 1.25 0.00 -0.91 0.98 119.26 121.74 3mfi h ALA 239 Ca 0.25 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.94 3mfi h ALA 239 Cb 0.14 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3mfi h ALA 239 CO -0.03 0.25 0.34 -0.07 0.00 0.00 0.00 179.25 179.74 3mfi h LEU 240 N 0.49 0.58 -0.94 0.00 3.38 -1.09 -2.32 115.31 115.42 3mfi h LEU 240 Ca 0.11 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.12 3mfi h LEU 240 Cb 0.41 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 40.96 3mfi h LEU 240 CO 0.01 0.42 0.60 1.23 0.09 0.00 0.00 178.44 180.80 3mfi h GLY 241 N 0.69 1.40 1.28 0.83 0.00 -0.63 -1.64 103.07 105.00 3mfi h GLY 241 Ca 0.19 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 3mfi h GLY 241 CO -0.04 0.34 0.42 1.48 0.00 0.00 0.00 176.54 178.74 3mfi h SER 242 N 1.13 0.84 -0.35 0.19 4.64 -0.33 0.14 113.55 119.81 3mfi h SER 242 Ca 0.39 -0.05 -0.08 0.00 -0.47 0.00 0.00 61.79 61.58 3mfi h SER 242 Cb 0.10 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 61.97 3mfi h SER 242 CO -0.15 0.65 -0.11 1.56 -0.87 0.00 0.00 176.83 177.91 3mfi h GLN 243 N 0.97 0.69 -0.28 4.77 1.08 -0.81 -2.28 115.11 119.25 3mfi h GLN 243 Ca 0.25 -0.28 -0.03 0.00 -1.45 0.00 0.00 58.65 57.14 3mfi h GLN 243 Cb -0.03 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.36 3mfi h GLN 243 CO -0.05 0.87 0.05 0.28 -0.95 0.00 0.00 178.83 179.03 3mfi h VAL 244 N 0.48 1.23 -0.84 -0.54 2.07 -0.95 -2.97 116.25 114.73 3mfi h VAL 244 Ca 0.09 -0.76 -0.03 0.00 0.82 0.00 0.00 66.70 66.81 3mfi h VAL 244 Cb 0.63 1.19 -0.04 0.00 -1.52 0.00 0.00 31.29 31.54 3mfi h VAL 244 CO 0.04 0.25 0.41 0.00 0.02 0.00 0.00 177.57 178.29 3mfi h LYS 246 N 1.20 0.84 -0.69 0.00 1.63 -1.34 0.70 116.57 118.91 3mfi h LYS 246 Ca 0.29 -0.05 0.01 0.00 -0.85 0.00 0.00 60.65 60.05 3mfi h LYS 246 Cb 0.12 -0.19 -0.04 0.00 -0.60 0.00 0.00 32.23 31.52 3mfi h LYS 246 CO -0.04 0.56 0.46 0.78 -3.45 0.00 0.00 179.45 177.76 3mfi h GLY 247 N 0.87 0.98 0.87 5.01 0.00 -1.15 0.12 103.07 109.76 3mfi h GLY 247 Ca 0.40 -0.36 -0.03 0.00 0.00 0.00 0.00 47.33 47.34 3mfi h GLY 247 CO -0.23 0.34 0.04 -2.22 0.00 0.00 0.00 176.54 174.48 3mfi h ILE 248 N 0.93 1.23 -0.56 2.60 2.04 -0.62 -1.32 117.51 121.81 3mfi h ILE 248 Ca 0.26 -0.78 -0.06 0.00 1.00 0.00 0.00 64.86 65.27 3mfi h ILE 248 Cb -0.09 1.25 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 3mfi h ILE 248 CO -0.06 0.25 0.11 0.03 0.00 0.00 0.00 178.15 178.47 3mfi h ARG 249 N 0.24 0.88 -0.38 2.37 3.08 -0.64 -2.00 114.38 117.92 3mfi h ARG 249 Ca 0.08 -0.20 -0.02 0.00 0.07 0.00 0.00 59.98 59.91 3mfi h ARG 249 Cb 0.34 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 3mfi h ARG 249 CO 0.01 0.81 0.13 -0.44 -1.07 0.00 0.00 179.97 179.40 3mfi h ASP 250 N 0.84 0.49 -0.39 7.04 3.32 -0.58 -0.99 116.42 126.15 3mfi h ASP 250 Ca 0.18 -0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.14 3mfi h ASP 250 Cb 0.35 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 3mfi h ASP 250 CO 0.00 0.46 0.09 0.28 -1.72 0.00 0.00 179.24 178.36 3mfi h SER 251 N 0.54 0.59 -0.38 6.45 0.02 -0.54 0.24 113.55 120.47 3mfi h SER 251 Ca 0.13 -0.23 0.03 0.00 -0.84 0.00 0.00 61.79 60.87 3mfi h SER 251 Cb 0.15 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.50 3mfi h SER 251 CO -0.01 0.67 0.19 0.40 -1.14 0.00 0.00 176.83 176.94 3mfi h ILE 252 N 0.48 0.99 -0.50 3.27 1.08 -1.07 -0.65 117.51 121.11 3mfi h ILE 252 Ca 0.12 -0.14 -0.09 0.00 -0.39 0.00 0.00 64.86 64.37 3mfi h ILE 252 Cb 0.31 0.56 -0.02 0.00 -3.07 0.00 0.00 36.82 34.60 3mfi h ILE 252 CO 0.00 0.07 -0.04 0.50 -0.69 0.00 0.00 178.15 178.00 3mfi h LYS 253 N 0.40 0.92 -0.10 2.37 3.64 -0.94 -0.30 116.57 122.55 3mfi h LYS 253 Ca 0.16 -0.31 -0.24 0.00 -1.27 0.00 0.00 60.65 58.99 3mfi h LYS 253 Cb 0.06 -0.07 0.01 0.00 -0.41 0.00 0.00 32.23 31.82 3mfi h LYS 253 CO -0.11 0.96 -0.86 -0.44 -2.27 0.00 0.00 179.45 176.73 3mfi h ASP 254 N 0.78 0.92 0.08 4.20 3.32 -0.38 -1.07 116.42 124.27 3mfi h ASP 254 Ca 0.14 -0.64 -0.16 0.00 0.02 0.00 0.00 57.03 56.39 3mfi h ASP 254 Cb 0.57 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.85 3mfi h ASP 254 CO 0.03 1.44 -0.76 0.40 -1.72 0.00 0.00 179.24 178.64 3mfi h ILE 255 N 0.49 1.42 0.00 0.35 2.04 -1.15 -3.41 117.51 117.25 3mfi h ILE 255 Ca -0.08 -2.41 -0.05 0.00 1.00 0.00 0.00 64.86 63.32 3mfi h ILE 255 Cb 1.50 3.05 -0.01 0.00 -0.74 0.00 0.00 36.82 40.61 3mfi h ILE 255 CO 0.17 0.64 -1.88 0.18 0.00 0.00 0.00 178.15 177.26 3mfi n LEU 256 N -4.25 0.00 0.00 1.44 4.77 -0.14 -5.01 117.00 113.81 3mfi n LEU 256 Ca -0.17 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 3mfi n LEU 256 Cb 0.73 0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.89 3mfi n LEU 256 CO 0.39 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 3mfi n GLY 257 N 1.55 0.66 3.79 -0.72 0.00 -0.40 -5.02 105.19 105.06 3mfi n GLY 257 Ca -0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.58 3mfi n GLY 257 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3mfi s TYR 258 N -2.42 3.58 0.36 1.61 4.12 -1.24 -4.92 117.35 118.44 3mfi s TYR 258 Ca 0.00 0.71 -0.12 0.00 0.02 0.00 0.00 57.07 57.68 3mfi s TYR 258 Cb 0.00 -2.24 -0.07 0.00 -1.52 0.00 0.00 41.96 38.12 3mfi s TYR 258 CO 0.00 0.47 0.74 0.95 0.02 0.00 0.00 175.55 177.73 3mfi s THR 259 N -0.34 4.76 0.09 -0.71 -4.23 -1.26 -3.44 115.64 110.51 3mfi s THR 259 Ca 0.19 0.72 0.03 0.00 -1.18 0.00 0.00 61.69 61.44 3mfi s THR 259 Cb -0.14 -3.68 -0.03 0.00 1.34 0.00 0.00 72.50 69.99 3mfi s THR 259 CO 0.07 -0.36 -0.09 0.42 -0.54 0.00 0.00 174.62 174.12 3mfi s THR 260 N -2.18 0.80 0.14 3.99 -4.23 -1.26 -1.23 115.64 111.68 3mfi s THR 260 Ca 0.52 -1.60 0.07 0.00 -1.18 0.00 0.00 61.69 59.50 3mfi s THR 260 Cb -0.10 -1.29 -0.04 0.00 1.34 0.00 0.00 72.50 72.41 3mfi s THR 260 CO 0.25 -0.60 -0.04 -0.44 -0.54 0.00 0.00 174.62 173.26 3mfi s SER 261 N -2.42 4.66 -0.05 3.99 0.01 -0.50 -2.64 113.70 116.74 3mfi s SER 261 Ca 0.04 -0.38 -0.09 0.00 1.31 0.00 0.00 55.95 56.83 3mfi s SER 261 Cb -0.02 -0.97 0.02 0.00 0.21 0.00 0.00 66.02 65.26 3mfi s SER 261 CO -0.01 0.13 0.23 0.00 0.41 0.00 0.00 173.24 174.00 3mfi s GLY 263 N -0.52 1.28 -0.09 0.00 0.00 -0.05 -0.66 107.32 107.28 3mfi s GLY 263 Ca -0.06 -1.00 0.03 0.00 0.00 0.00 0.00 44.72 43.69 3mfi s GLY 263 CO 0.01 -0.54 -0.19 1.08 0.00 0.00 0.00 173.10 173.47 3mfi s LEU 264 N -0.00 1.90 0.00 0.66 1.43 -0.44 -1.00 118.68 121.23 3mfi s LEU 264 Ca -0.08 -0.46 -0.14 0.00 -1.03 0.00 0.00 54.13 52.42 3mfi s LEU 264 Cb -0.15 -1.19 0.05 0.00 0.03 0.00 0.00 46.19 44.93 3mfi s LEU 264 CO 0.05 0.10 0.66 -1.54 0.23 0.00 0.00 176.35 175.85 3mfi n SER 265 N 3.73 -1.02 -0.04 2.29 3.41 -0.96 -1.01 113.62 120.03 3mfi n SER 265 Ca -0.20 -1.50 0.15 0.00 -0.26 0.00 0.00 58.87 57.06 3mfi n SER 265 Cb 0.52 1.64 0.75 0.00 -0.26 0.00 0.00 64.21 66.87 3mfi n SER 265 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3mfi n SER 266 N -0.97 0.14 -3.95 4.04 3.41 -1.25 -0.93 113.62 114.11 3mfi n SER 266 Ca -0.01 -0.43 -0.10 0.00 -0.26 0.00 0.00 58.87 58.08 3mfi n SER 266 Cb 0.36 -0.17 -0.11 0.00 -0.26 0.00 0.00 64.21 64.02 3mfi n SER 266 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3mfi s THR 267 N -2.44 0.10 0.21 6.66 -4.23 -1.26 -4.65 115.64 110.02 3mfi s THR 267 Ca 0.32 -0.79 -0.09 0.00 -1.18 0.00 0.00 61.69 59.95 3mfi s THR 267 Cb 0.21 -0.28 0.14 0.00 1.34 0.00 0.00 72.50 73.91 3mfi s THR 267 CO 0.45 -0.44 1.80 0.11 -0.54 0.00 0.00 174.62 176.01 3mfi h LYS 268 N 4.70 0.65 -0.58 3.99 1.57 -1.84 -1.52 116.57 123.54 3mfi h LYS 268 Ca -0.31 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.38 3mfi h LYS 268 Cb 1.21 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 33.35 3mfi h LYS 268 CO 0.42 0.43 0.18 -0.91 -0.57 0.00 0.00 179.45 179.00 3mfi h ASN 269 N 0.67 0.85 -0.42 0.86 2.35 -1.96 -1.67 115.58 116.26 3mfi h ASN 269 Ca 0.30 -0.21 -0.12 0.00 -0.55 0.00 0.00 56.30 55.72 3mfi h ASN 269 Cb 0.19 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 3mfi h ASN 269 CO -0.19 0.83 -0.20 0.58 -1.65 0.00 0.00 177.43 176.80 3mfi h VAL 270 N 0.82 1.28 -0.69 2.81 2.07 -1.86 -2.84 116.25 117.85 3mfi h VAL 270 Ca 0.19 -1.35 0.11 0.00 0.82 0.00 0.00 66.70 66.47 3mfi h VAL 270 Cb 0.29 1.25 -0.08 0.00 -1.52 0.00 0.00 31.29 31.22 3mfi h VAL 270 CO -0.01 0.46 0.29 0.00 0.02 0.00 0.00 177.57 178.33 3mfi h LYS 272 N 0.48 0.93 -0.41 0.00 3.64 -1.22 0.34 116.57 120.33 3mfi h LYS 272 Ca 0.36 -0.29 -0.07 0.00 -1.27 0.00 0.00 60.65 59.37 3mfi h LYS 272 Cb 0.46 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 3mfi h LYS 272 CO -0.33 0.94 -0.02 -0.07 -2.27 0.00 0.00 179.45 177.71 3mfi h LEU 273 N 0.85 0.73 -0.99 5.20 3.38 -1.19 -3.23 115.31 120.06 3mfi h LEU 273 Ca 0.15 -0.32 -0.09 0.00 0.09 0.00 0.00 57.88 57.71 3mfi h LEU 273 Cb 0.56 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 3mfi h LEU 273 CO 0.03 0.88 -0.22 0.00 0.09 0.00 0.00 178.44 179.21 3mfi h ALA 274 N 0.88 1.15 0.00 1.53 0.00 -0.45 -2.68 119.26 119.69 3mfi h ALA 274 Ca 0.11 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 3mfi h ALA 274 Cb 0.51 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 3mfi h ALA 274 CO 0.03 0.54 -0.14 0.66 0.00 0.00 0.00 179.25 180.33 3mfi h SER 275 N 0.42 0.00 0.29 0.00 4.64 -0.95 -2.23 113.55 115.71 3mfi h SER 275 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 3mfi h SER 275 Cb 0.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 3mfi h SER 275 CO 0.04 0.14 -0.27 -3.20 -0.87 0.00 0.00 176.83 172.67 3mfi n ASN 276 N -3.41 0.89 -0.10 4.97 5.15 -1.02 -4.18 115.26 117.55 3mfi n ASN 276 Ca -0.01 -0.76 -0.13 0.00 -0.60 0.00 0.00 54.58 53.08 3mfi n ASN 276 Cb 0.32 0.12 -0.04 0.00 -0.53 0.00 0.00 39.78 39.66 3mfi n ASN 276 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 3mfi h TYR 277 N 0.96 0.90 -3.35 1.20 3.20 -1.25 -3.43 116.97 115.20 3mfi h TYR 277 Ca 0.00 -0.27 -0.39 0.00 3.14 0.00 0.00 58.73 61.21 3mfi h TYR 277 Cb 0.49 -0.19 -0.37 0.00 1.54 0.00 0.00 36.73 38.20 3mfi h TYR 277 CO 0.00 1.03 -0.75 0.21 -1.64 0.00 0.00 178.16 177.01 3mfi s LYS 278 N -4.36 0.36 -0.01 1.82 2.20 -1.26 -5.14 119.74 113.35 3mfi s LYS 278 Ca -0.12 0.16 -0.08 0.00 -0.36 0.00 0.00 55.97 55.57 3mfi s LYS 278 Cb 0.09 -0.71 0.01 0.00 -1.51 0.00 0.00 37.83 35.71 3mfi s LYS 278 CO 0.84 -0.25 0.16 0.15 -0.36 0.00 0.00 175.35 175.89 3mfi s LYS 279 N 1.70 0.47 0.64 4.03 1.02 -1.26 -4.48 119.74 121.85 3mfi s LYS 279 Ca -0.00 -0.29 -0.01 0.00 0.02 0.00 0.00 55.97 55.69 3mfi s LYS 279 Cb -0.13 0.20 0.08 0.00 -0.52 0.00 0.00 37.83 37.46 3mfi s LYS 279 CO -0.03 -0.11 0.90 -1.25 -0.92 0.00 0.00 175.35 173.94 3mfi s PRO 280 N -1.18 2.13 -1.18 -1.68 0.04 -1.26 -5.02 135.00 126.84 3mfi s PRO 280 Ca -0.13 -0.83 -0.04 0.00 0.04 0.00 0.00 61.00 60.05 3mfi s PRO 280 Cb -0.07 -2.37 -0.02 0.00 0.04 0.00 0.00 34.50 32.08 3mfi s PRO 280 CO 0.02 -1.09 0.86 -3.47 0.04 0.00 0.00 177.00 173.36 3mfi n ASP 281 N -2.63 -3.39 -3.83 6.66 4.64 -1.11 -4.97 116.55 111.91 3mfi n ASP 281 Ca 0.11 -0.75 -0.11 0.00 -1.38 0.00 0.00 54.79 52.66 3mfi n ASP 281 Cb 0.60 -4.63 -0.08 0.00 -1.04 0.00 0.00 41.12 35.96 3mfi n ASP 281 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3mfi s ALA 282 N -3.47 -0.41 -0.09 -1.67 0.00 -1.08 -5.00 121.76 110.03 3mfi s ALA 282 Ca 0.18 -0.22 0.02 0.00 0.00 0.00 0.00 51.96 51.94 3mfi s ALA 282 Cb -0.04 0.27 0.01 0.00 0.00 0.00 0.00 23.12 23.37 3mfi s ALA 282 CO 0.77 -0.36 -0.14 1.14 0.00 0.00 0.00 175.76 177.17 3mfi s GLN 283 N -2.48 2.04 -0.21 0.00 -2.07 -1.26 -1.20 119.66 114.49 3mfi s GLN 283 Ca -0.06 -0.51 -0.07 0.00 -1.82 0.00 0.00 55.36 52.90 3mfi s GLN 283 Cb -0.01 -1.71 -0.03 0.00 -1.09 0.00 0.00 33.01 30.16 3mfi s GLN 283 CO -0.03 -0.02 0.06 0.99 -1.32 0.00 0.00 175.29 174.97 3mfi s THR 284 N 0.84 4.51 -0.16 3.63 2.01 0.17 -0.93 115.64 125.71 3mfi s THR 284 Ca -0.10 -0.12 -0.02 0.00 0.31 0.00 0.00 61.69 61.75 3mfi s THR 284 Cb -0.15 -3.06 -0.02 0.00 0.01 0.00 0.00 72.50 69.28 3mfi s THR 284 CO 0.01 0.41 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.65 3mfi s ILE 285 N 0.87 3.49 -0.35 1.82 1.01 -0.25 -1.33 121.20 126.46 3mfi s ILE 285 Ca 0.03 -0.49 0.02 0.00 0.00 0.00 0.00 60.65 60.21 3mfi s ILE 285 Cb -0.14 -2.52 0.10 0.00 0.01 0.00 0.00 42.46 39.91 3mfi s ILE 285 CO 0.02 0.49 0.09 -0.69 0.00 0.00 0.00 174.94 174.85 3mfi s VAL 286 N 0.60 2.61 0.61 2.92 1.01 -0.18 -1.10 120.40 126.87 3mfi s VAL 286 Ca -0.05 -2.17 -0.19 0.00 0.00 0.00 0.00 61.98 59.57 3mfi s VAL 286 Cb -0.15 -2.84 -0.03 0.00 0.00 0.00 0.00 36.38 33.37 3mfi s VAL 286 CO 0.03 -0.57 1.29 -0.54 0.00 0.00 0.00 175.10 175.30 3mfi s LYS 287 N 1.00 2.80 0.28 2.72 1.02 -1.26 -4.51 119.74 121.80 3mfi s LYS 287 Ca 0.08 2.05 0.01 0.00 0.02 0.00 0.00 55.97 58.13 3mfi s LYS 287 Cb -0.20 -1.97 0.55 0.00 -0.52 0.00 0.00 37.83 35.69 3mfi s LYS 287 CO -0.06 -1.40 1.84 -0.91 -0.92 0.00 0.00 175.35 173.90 3mfi h ASN 288 N 0.86 0.94 0.49 2.83 2.35 -1.97 -0.17 115.58 120.91 3mfi h ASN 288 Ca -0.51 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.28 3mfi h ASN 288 Cb 1.32 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 39.54 3mfi h ASN 288 CO 0.55 0.51 0.00 0.47 -1.65 0.00 0.00 177.43 177.31 3mfi n ASP 289 N -4.60 0.00 -0.74 5.81 8.00 -1.26 -2.27 116.55 121.49 3mfi n ASP 289 Ca 0.18 0.45 0.07 0.00 0.71 0.00 0.00 54.79 56.21 3mfi n ASP 289 Cb 0.34 -0.48 0.16 0.00 -0.02 0.00 0.00 41.12 41.12 3mfi n ASP 289 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3mfi h LEU 291 N 2.61 0.87 -0.33 0.00 3.38 -1.11 -0.93 115.31 119.80 3mfi h LEU 291 Ca 0.00 -0.16 -0.20 0.00 0.09 0.00 0.00 57.88 57.61 3mfi h LEU 291 Cb 0.74 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3mfi h LEU 291 CO 0.00 0.79 -0.74 -0.07 0.09 0.00 0.00 178.44 178.52 3mfi h LEU 292 N 0.90 0.65 -0.64 1.67 3.38 -1.84 0.34 115.31 119.77 3mfi h LEU 292 Ca 0.22 -0.42 0.10 0.00 0.09 0.00 0.00 57.88 57.87 3mfi h LEU 292 Cb 0.18 -0.19 -0.08 0.00 0.09 0.00 0.00 40.66 40.67 3mfi h LEU 292 CO -0.02 1.18 0.25 0.44 0.09 0.00 0.00 178.44 180.38 3mfi h ASP 293 N 0.37 0.25 0.19 -0.43 3.32 -1.80 -0.24 116.42 118.08 3mfi h ASP 293 Ca -0.04 0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 3mfi h ASP 293 Cb 1.33 0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.94 3mfi h ASP 293 CO 0.14 0.14 -0.09 0.15 -1.72 0.00 0.00 179.24 177.86 3mfi h PHE 294 N 0.43 -0.23 0.00 4.55 3.57 -0.97 -2.85 116.94 121.44 3mfi h PHE 294 Ca 0.33 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.81 3mfi h PHE 294 Cb 0.41 0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.23 3mfi h PHE 294 CO -0.16 0.17 -0.06 -0.07 -2.23 0.00 0.00 178.31 175.96 3mfi h LEU 295 N -0.73 0.00 -2.71 0.59 3.38 -0.79 -2.49 115.31 112.55 3mfi h LEU 295 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3mfi h LEU 295 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3mfi h LEU 295 CO 0.04 0.06 0.00 0.47 0.09 0.00 0.00 178.44 179.10 3mfi n ASP 296 N -4.25 3.97 0.17 -0.43 8.00 -0.12 -4.50 116.55 119.40 3mfi n ASP 296 Ca -0.03 -2.04 0.13 0.00 0.71 0.00 0.00 54.79 53.57 3mfi n ASP 296 Cb 0.14 -0.49 0.60 0.00 -0.02 0.00 0.00 41.12 41.35 3mfi n ASP 296 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3mfi n GLY 298 N -0.51 0.79 0.20 0.00 0.00 -1.26 -4.96 105.19 99.45 3mfi n GLY 298 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.13 3mfi n GLY 298 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mfi h LYS 299 N 1.98 0.00 -6.87 1.61 1.57 -1.88 -3.48 116.57 109.50 3mfi h LYS 299 Ca 0.00 0.00 -0.69 0.00 -1.87 0.00 0.00 60.65 58.09 3mfi h LYS 299 Cb 0.00 0.00 -0.23 0.00 0.08 0.00 0.00 32.23 32.08 3mfi h LYS 299 CO 0.00 0.08 -0.87 -0.06 -0.57 0.00 0.00 179.45 178.04 3mfi s PHE 300 N -3.18 2.33 0.37 -1.35 0.40 -1.26 -5.06 117.98 110.24 3mfi s PHE 300 Ca 0.06 -0.38 0.04 0.00 -0.60 0.00 0.00 56.93 56.05 3mfi s PHE 300 Cb 0.06 -1.28 -0.03 0.00 0.51 0.00 0.00 43.02 42.28 3mfi s PHE 300 CO 0.69 0.31 0.15 -1.21 0.70 0.00 0.00 175.22 175.86 3mfi s GLU 301 N -1.92 1.83 0.51 0.44 0.41 -1.26 -4.68 118.70 114.02 3mfi s GLU 301 Ca 0.14 -2.09 0.22 0.00 -0.41 0.00 0.00 54.97 52.82 3mfi s GLU 301 Cb -0.10 -0.38 1.33 0.00 -1.78 0.00 0.00 34.13 33.20 3mfi s GLU 301 CO 0.06 -0.49 2.09 0.97 -0.49 0.00 0.00 175.26 177.39 3mfi h ILE 302 N 1.93 0.82 0.00 -1.63 6.09 -1.97 0.35 117.51 123.11 3mfi h ILE 302 Ca -0.34 -0.41 0.00 0.00 -1.37 0.00 0.00 64.86 62.74 3mfi h ILE 302 Cb 1.26 1.24 0.00 0.00 0.47 0.00 0.00 36.82 39.79 3mfi h ILE 302 CO 0.53 0.11 0.00 0.35 -3.07 0.00 0.00 178.15 176.07 3mfi n THR 303 N -4.03 0.91 0.29 2.19 -2.24 -1.26 -2.52 114.28 107.62 3mfi n THR 303 Ca -0.02 0.23 0.15 0.00 -2.27 0.00 0.00 64.05 62.13 3mfi n THR 303 Cb 0.19 -0.98 0.46 0.00 -2.10 0.00 0.00 70.33 67.90 3mfi n THR 303 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3mfi h SER 304 N 0.00 0.00 -3.63 3.42 0.02 -1.20 -3.23 113.55 108.93 3mfi h SER 304 Ca 0.00 0.00 -0.51 0.00 -0.84 0.00 0.00 61.79 60.44 3mfi h SER 304 Cb 0.29 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.80 3mfi h SER 304 CO 0.00 0.00 0.22 -0.36 -1.14 0.00 0.00 176.83 175.55 3mfi s PHE 305 N -3.43 3.83 0.14 3.45 0.08 -1.05 -4.96 117.98 116.04 3mfi s PHE 305 Ca 0.04 1.65 -0.34 0.00 0.12 0.00 0.00 56.93 58.40 3mfi s PHE 305 Cb 0.08 -2.79 -0.14 0.00 -0.57 0.00 0.00 43.02 39.59 3mfi s PHE 305 CO 0.58 0.42 1.57 1.87 -0.10 0.00 0.00 175.22 179.56 3mfi n TRP 306 N 1.21 2.22 0.00 0.36 -0.00 -1.26 -1.57 117.44 118.39 3mfi n TRP 306 Ca -0.03 0.28 0.00 0.00 -0.00 0.00 0.00 57.50 57.75 3mfi n TRP 306 Cb 0.49 -2.53 0.00 0.00 -0.00 0.00 0.00 31.31 29.27 3mfi n TRP 306 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 177.69 177.94 3mfi n THR 307 N 3.43 0.00 -0.08 5.87 -2.24 -1.26 -4.89 114.28 115.11 3mfi n THR 307 Ca 0.17 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 62.00 3mfi n THR 307 Cb 0.28 0.00 0.12 0.00 -2.10 0.00 0.00 70.33 68.63 3mfi n THR 307 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3mfi n LEU 308 N 0.00 2.67 -0.39 3.22 4.77 -0.61 -4.57 117.00 122.09 3mfi n LEU 308 Ca 0.00 -1.87 0.09 0.00 -0.03 0.00 0.00 56.01 54.20 3mfi n LEU 308 Cb 0.00 -0.17 0.38 0.00 -2.33 0.00 0.00 43.42 41.29 3mfi n LEU 308 CO 0.00 0.65 0.76 0.61 -1.33 0.00 0.00 177.39 178.09 3mfi n GLY 309 N 0.40 -0.08 0.00 -0.72 0.00 -1.22 -3.80 105.19 99.77 3mfi n GLY 309 Ca 0.09 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.80 3mfi n GLY 309 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mfi n GLY 310 N 1.00 5.23 0.20 -0.02 0.00 -1.26 -4.98 105.19 105.35 3mfi n GLY 310 Ca 0.14 -1.56 -0.02 0.00 0.00 0.00 0.00 46.02 44.59 3mfi n GLY 310 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3mfi h VAL 311 N 0.00 1.30 -0.35 1.61 -1.51 -1.93 -2.41 116.25 112.96 3mfi h VAL 311 Ca 0.00 -1.47 -0.01 0.00 -1.23 0.00 0.00 66.70 63.98 3mfi h VAL 311 Cb 0.00 1.66 -0.02 0.00 -2.13 0.00 0.00 31.29 30.80 3mfi h VAL 311 CO 0.00 0.44 0.17 0.25 -1.23 0.00 0.00 177.57 177.20 3mfi h LEU 312 N 0.19 0.45 -0.42 4.19 5.85 -1.90 -0.71 115.31 122.96 3mfi h LEU 312 Ca 0.02 -0.12 0.05 0.00 0.84 0.00 0.00 57.88 58.67 3mfi h LEU 312 Cb 0.79 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.65 3mfi h LEU 312 CO 0.06 0.45 0.16 1.23 -0.34 0.00 0.00 178.44 179.99 3mfi h GLY 313 N 0.43 0.55 1.42 3.75 0.00 -1.59 0.04 103.07 107.68 3mfi h GLY 313 Ca 0.12 -0.09 -0.05 0.00 0.00 0.00 0.00 47.33 47.30 3mfi h GLY 313 CO -0.02 0.03 0.07 0.50 0.00 0.00 0.00 176.54 177.12 3mfi h LYS 314 N 0.33 0.73 -0.58 4.80 1.57 -1.30 -1.09 116.57 121.03 3mfi h LYS 314 Ca 0.20 -0.16 -0.05 0.00 -1.87 0.00 0.00 60.65 58.77 3mfi h LYS 314 Cb 0.17 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 3mfi h LYS 314 CO -0.19 0.69 0.18 1.49 -0.57 0.00 0.00 179.45 181.06 3mfi h GLU 315 N 0.69 0.90 -0.49 3.15 4.81 -0.61 -2.42 114.58 120.62 3mfi h GLU 315 Ca 0.15 -0.19 -0.08 0.00 -0.13 0.00 0.00 59.36 59.10 3mfi h GLU 315 Cb 0.33 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 3mfi h GLU 315 CO 0.01 0.81 -0.04 -0.07 -0.73 0.00 0.00 179.01 178.99 3mfi h LEU 316 N 0.82 0.82 -0.85 1.64 3.38 -0.50 0.97 115.31 121.59 3mfi h LEU 316 Ca 0.19 -0.22 0.08 0.00 0.09 0.00 0.00 57.88 58.02 3mfi h LEU 316 Cb 0.28 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 40.74 3mfi h LEU 316 CO -0.01 0.90 0.51 0.40 0.09 0.00 0.00 178.44 180.34 3mfi h ILE 317 N 0.77 0.97 0.17 1.22 2.04 -1.00 -0.27 117.51 121.43 3mfi h ILE 317 Ca 0.14 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 3mfi h ILE 317 Cb 0.52 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.61 3mfi h ILE 317 CO 0.03 0.16 -0.08 -0.78 0.00 0.00 0.00 178.15 177.48 3mfi h ASP 318 N 0.89 -0.20 -0.68 1.72 3.58 -0.88 -0.86 116.42 119.99 3mfi h ASP 318 Ca 0.39 -0.34 -0.00 0.00 0.42 0.00 0.00 57.03 57.50 3mfi h ASP 318 Cb 0.28 0.05 -0.03 0.00 1.72 0.00 0.00 39.33 41.34 3mfi h ASP 318 CO -0.21 0.32 0.42 0.58 -2.88 0.00 0.00 179.24 177.47 3mfi h VAL 319 N -0.80 1.19 -0.09 2.25 2.07 -0.73 -2.47 116.25 117.66 3mfi h VAL 319 Ca -0.02 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.09 3mfi h VAL 319 Cb 0.52 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 3mfi h VAL 319 CO 0.04 0.20 0.00 0.18 0.02 0.00 0.00 177.57 178.00 3mfi n LEU 320 N -4.57 1.59 -3.73 2.57 4.77 -0.12 -4.94 117.00 112.57 3mfi n LEU 320 Ca 0.06 -0.60 -0.23 0.00 -0.03 0.00 0.00 56.01 55.21 3mfi n LEU 320 Cb 0.05 -0.05 0.03 0.00 -2.33 0.00 0.00 43.42 41.11 3mfi n LEU 320 CO 0.36 0.30 -0.09 -0.67 -1.33 0.00 0.00 177.39 175.96 3mfi n ASP 321 N 0.26 -1.50 -4.79 -1.43 4.64 -0.92 -4.95 116.55 107.85 3mfi n ASP 321 Ca 0.18 -0.86 -0.36 0.00 -1.38 0.00 0.00 54.79 52.37 3mfi n ASP 321 Cb 0.34 -3.87 -0.06 0.00 -1.04 0.00 0.00 41.12 36.50 3mfi n ASP 321 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 3mfi s LEU 322 N -6.66 4.15 0.79 -2.67 1.43 -0.37 -5.05 118.68 110.30 3mfi s LEU 322 Ca 0.05 1.86 -0.11 0.00 -1.03 0.00 0.00 54.13 54.91 3mfi s LEU 322 Cb -0.02 -4.23 0.07 0.00 0.03 0.00 0.00 46.19 42.04 3mfi s LEU 322 CO 0.83 -0.31 1.09 -2.16 0.23 0.00 0.00 176.35 176.03 3mfi s PRO 323 N -2.54 2.14 0.47 1.29 0.04 -1.26 -4.92 135.00 130.23 3mfi s PRO 323 Ca 0.56 0.93 0.26 0.00 0.04 0.00 0.00 61.00 62.79 3mfi s PRO 323 Cb -0.17 -1.90 1.08 0.00 0.04 0.00 0.00 34.50 33.55 3mfi s PRO 323 CO 0.22 -1.66 1.89 1.12 0.04 0.00 0.00 177.00 178.61 3mfi h HIS 324 N -1.13 0.00 -3.70 0.56 2.07 -2.00 -3.40 115.15 107.56 3mfi h HIS 324 Ca -0.46 0.00 -0.28 0.00 -2.85 0.00 0.00 60.37 56.78 3mfi h HIS 324 Cb 1.25 0.00 -0.16 0.00 2.57 0.00 0.00 27.41 31.06 3mfi h HIS 324 CO 0.53 0.17 -0.72 -1.83 -3.07 0.00 0.00 177.93 173.01 3mfi s GLU 325 N -3.73 0.87 -1.50 5.12 -1.05 -1.26 -4.83 118.70 112.32 3mfi s GLU 325 Ca 0.00 -1.26 -0.06 0.00 -0.15 0.00 0.00 54.97 53.50 3mfi s GLU 325 Cb 0.10 -0.42 0.02 0.00 -0.44 0.00 0.00 34.13 33.39 3mfi s GLU 325 CO 0.61 0.04 0.69 0.09 0.95 0.00 0.00 175.26 177.65 3mfi n ASN 326 N 0.23 -5.84 0.14 0.83 5.03 -1.26 -4.90 115.26 109.50 3mfi n ASN 326 Ca -0.14 -0.35 0.02 0.00 0.87 0.00 0.00 54.58 54.97 3mfi n ASN 326 Cb 0.59 -4.71 0.35 0.00 -1.02 0.00 0.00 39.78 35.00 3mfi n ASN 326 CO 0.00 0.00 0.00 0.77 -1.83 0.00 0.00 177.26 176.20 3mfi h SER 327 N -1.56 0.14 0.09 6.41 4.64 -1.86 -1.86 113.55 119.55 3mfi h SER 327 Ca -0.53 -0.04 -0.00 0.00 -0.47 0.00 0.00 61.79 60.75 3mfi h SER 327 Cb 1.36 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 3mfi h SER 327 CO 0.57 0.41 -0.04 0.40 -0.87 0.00 0.00 176.83 177.30 3mfi h ILE 328 N 0.13 1.11 -0.90 0.95 2.04 -1.90 -0.86 117.51 118.07 3mfi h ILE 328 Ca 0.02 -0.79 0.06 0.00 1.00 0.00 0.00 64.86 65.14 3mfi h ILE 328 Cb 0.55 1.61 -0.06 0.00 -0.74 0.00 0.00 36.82 38.19 3mfi h ILE 328 CO 0.04 0.19 0.59 0.50 0.00 0.00 0.00 178.15 179.47 3mfi h LYS 329 N -0.49 1.01 -0.36 2.37 3.64 -1.86 -1.91 116.57 118.98 3mfi h LYS 329 Ca -0.01 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 3mfi h LYS 329 Cb 0.41 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 3mfi h LYS 329 CO 0.02 0.67 0.24 1.25 -2.27 0.00 0.00 179.45 179.36 3mfi h HIS 330 N 1.04 0.45 -0.41 1.91 2.76 -1.10 0.29 115.15 120.09 3mfi h HIS 330 Ca 0.38 0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.58 3mfi h HIS 330 Cb 0.16 -0.15 -0.03 0.00 1.55 0.00 0.00 27.41 28.93 3mfi h HIS 330 CO -0.00 0.29 0.23 0.82 -1.30 0.00 0.00 177.93 177.96 3mfi h ILE 331 N 0.48 1.01 -0.44 6.26 2.04 -0.66 -0.56 117.51 125.65 3mfi h ILE 331 Ca 0.13 -0.16 0.03 0.00 1.00 0.00 0.00 64.86 65.86 3mfi h ILE 331 Cb -0.05 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 36.51 3mfi h ILE 331 CO -0.03 0.08 0.24 -0.09 0.00 0.00 0.00 178.15 178.36 3mfi h ARG 332 N 0.46 0.47 0.00 2.37 2.43 -0.89 -2.92 114.38 116.30 3mfi h ARG 332 Ca 0.17 -0.03 -0.13 0.00 -0.81 0.00 0.00 59.98 59.18 3mfi h ARG 332 Cb 0.04 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 3mfi h ARG 332 CO -0.10 0.31 -0.92 0.93 -1.51 0.00 0.00 179.97 178.68 3mfi h GLU 333 N 0.48 0.00 0.02 0.20 5.08 -0.73 -3.16 114.58 116.48 3mfi h GLU 333 Ca 0.18 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.34 3mfi h GLU 333 Cb 0.06 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 3mfi h GLU 333 CO -0.11 0.42 -0.94 1.15 -1.00 0.00 0.00 179.01 178.53 3mfi h THR 334 N 0.00 1.60 -2.39 1.13 2.02 -1.10 -3.34 112.91 110.82 3mfi h THR 334 Ca -0.07 -2.99 -0.59 0.00 0.77 0.00 0.00 66.41 63.52 3mfi h THR 334 Cb 1.47 2.66 -0.41 0.00 -1.74 0.00 0.00 68.15 70.14 3mfi h THR 334 CO 0.06 0.86 -0.75 0.79 0.37 0.00 0.00 175.52 176.84 3mfi n TRP 335 N -3.52 2.04 0.30 3.16 8.01 -1.11 -5.00 117.44 121.33 3mfi n TRP 335 Ca -0.02 -3.95 0.12 0.00 -1.31 0.00 0.00 57.50 52.34 3mfi n TRP 335 Cb 0.87 -0.42 0.17 0.00 -2.01 0.00 0.00 31.31 29.93 3mfi n TRP 335 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.69 175.68 3mfi h PRO 336 N 4.64 0.00 0.00 -0.99 0.13 -1.68 -3.39 132.00 130.70 3mfi h PRO 336 Ca 0.17 0.00 -0.42 0.00 -0.87 0.00 0.00 66.00 64.88 3mfi h PRO 336 Cb 0.77 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.83 3mfi h PRO 336 CO 0.66 0.00 -2.48 -0.25 -0.23 0.00 0.00 178.00 175.70 3mfi n ASP 337 N -2.75 1.97 -3.49 1.44 9.92 -1.26 -5.01 116.55 117.38 3mfi n ASP 337 Ca 0.03 0.11 -0.12 0.00 -0.53 0.00 0.00 54.79 54.27 3mfi n ASP 337 Cb 0.51 -0.61 -0.03 0.00 -0.64 0.00 0.00 41.12 40.35 3mfi n ASP 337 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 3mfi s ASN 338 N -6.97 -0.50 0.53 -2.24 2.20 -1.26 -5.04 114.94 101.66 3mfi s ASN 338 Ca -0.36 0.03 0.27 0.00 -0.94 0.00 0.00 52.86 51.86 3mfi s ASN 338 Cb 0.12 0.56 1.48 0.00 -2.00 0.00 0.00 41.25 41.41 3mfi s ASN 338 CO 0.53 -0.88 2.09 0.00 -2.94 0.00 0.00 177.10 175.90 3mfi h ALA 339 N 2.26 1.32 -0.53 3.54 0.00 -1.89 -2.19 119.26 121.77 3mfi h ALA 339 Ca -0.33 -0.10 0.12 0.00 0.00 0.00 0.00 54.91 54.60 3mfi h ALA 339 Cb 1.27 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 3mfi h ALA 339 CO 0.40 0.13 0.37 0.78 0.00 0.00 0.00 179.25 180.93 3mfi h GLY 340 N 0.75 0.29 0.94 0.00 0.00 -1.96 0.94 103.07 104.03 3mfi h GLY 340 Ca -0.00 -0.08 -0.03 0.00 0.00 0.00 0.00 47.33 47.22 3mfi h GLY 340 CO 0.01 0.04 0.14 1.46 0.00 0.00 0.00 176.54 178.20 3mfi h GLN 341 N 0.20 0.59 -0.30 4.80 4.20 -1.78 -0.99 115.11 121.83 3mfi h GLN 341 Ca 0.25 -0.11 -0.16 0.00 0.06 0.00 0.00 58.65 58.68 3mfi h GLN 341 Cb 0.72 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.40 3mfi h GLN 341 CO -0.04 0.57 -0.46 1.25 -0.67 0.00 0.00 178.83 179.48 3mfi h LEU 342 N 0.48 0.85 -0.51 1.46 5.85 -1.48 -2.84 115.31 119.12 3mfi h LEU 342 Ca 0.13 -0.41 0.02 0.00 0.84 0.00 0.00 57.88 58.46 3mfi h LEU 342 Cb 0.21 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 3mfi h LEU 342 CO -0.01 1.17 0.31 0.50 -0.34 0.00 0.00 178.44 180.07 3mfi h LYS 343 N 0.62 0.60 -0.60 1.25 3.64 -0.66 0.08 116.57 121.51 3mfi h LYS 343 Ca 0.04 -0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.41 3mfi h LYS 343 Cb 1.03 -0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 32.67 3mfi h LYS 343 CO 0.10 0.40 0.36 1.49 -2.27 0.00 0.00 179.45 179.53 3mfi h GLU 344 N 0.62 0.68 -0.33 1.90 4.81 -1.15 0.14 114.58 121.25 3mfi h GLU 344 Ca 0.20 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.37 3mfi h GLU 344 Cb -0.00 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.21 3mfi h GLU 344 CO -0.08 0.45 0.15 0.35 -0.73 0.00 0.00 179.01 179.15 3mfi h PHE 345 N 0.70 0.48 -0.51 0.92 3.57 -1.22 -2.05 116.94 118.83 3mfi h PHE 345 Ca 0.25 -0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.68 3mfi h PHE 345 Cb 0.05 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.62 3mfi h PHE 345 CO -0.06 0.42 0.15 -0.07 -2.23 0.00 0.00 178.31 176.52 3mfi h LEU 346 N 0.39 0.76 -0.93 0.59 3.38 -0.60 -2.61 115.31 116.29 3mfi h LEU 346 Ca 0.11 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 57.87 3mfi h LEU 346 Cb 0.13 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.64 3mfi h LEU 346 CO -0.01 0.78 0.60 0.44 0.09 0.00 0.00 178.44 180.34 3mfi h ASP 347 N 0.70 1.08 -0.47 -0.43 3.32 -0.54 -0.78 116.42 119.30 3mfi h ASP 347 Ca 0.16 -0.04 -0.05 0.00 0.02 0.00 0.00 57.03 57.13 3mfi h ASP 347 Cb 0.30 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 3mfi h ASP 347 CO -0.00 0.79 0.10 0.00 -1.72 0.00 0.00 179.24 178.41 3mfi h ALA 348 N 1.33 0.62 -0.25 3.45 0.00 -1.25 -0.78 119.26 122.37 3mfi h ALA 348 Ca 0.34 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3mfi h ALA 348 Cb -0.12 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 3mfi h ALA 348 CO -0.07 0.32 0.13 0.87 0.00 0.00 0.00 179.25 180.50 3mfi h LYS 349 N 0.63 0.35 0.00 0.00 1.79 -0.98 -3.02 116.57 115.34 3mfi h LYS 349 Ca 0.15 -0.04 -0.08 0.00 -2.18 0.00 0.00 60.65 58.49 3mfi h LYS 349 Cb 0.35 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 30.92 3mfi h LYS 349 CO 0.00 0.33 -0.40 0.28 -1.08 0.00 0.00 179.45 178.58 3mfi h VAL 350 N 0.28 0.93 0.00 0.50 2.07 -1.10 -3.17 116.25 115.77 3mfi h VAL 350 Ca 0.09 -1.60 0.00 0.00 0.82 0.00 0.00 66.70 66.01 3mfi h VAL 350 Cb 0.08 1.96 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 3mfi h VAL 350 CO -0.01 0.39 0.00 0.11 0.02 0.00 0.00 177.57 178.08 3mfi h LYS 351 N 0.00 0.00 -6.67 1.57 6.56 -1.01 -3.45 116.57 113.57 3mfi h LYS 351 Ca -0.00 0.00 -0.53 0.00 -1.06 0.00 0.00 60.65 59.06 3mfi h LYS 351 Cb 0.93 0.00 0.05 0.00 -0.57 0.00 0.00 32.23 32.64 3mfi h LYS 351 CO 0.05 0.00 0.86 -0.65 -2.06 0.00 0.00 179.45 177.66 3mfi s GLN 352 N -3.24 4.21 0.45 3.15 -1.52 -1.20 -4.87 119.66 116.64 3mfi s GLN 352 Ca 0.07 2.40 0.18 0.00 -1.95 0.00 0.00 55.36 56.06 3mfi s GLN 352 Cb 0.10 -3.12 1.13 0.00 -0.22 0.00 0.00 33.01 30.90 3mfi s GLN 352 CO 0.50 -0.58 1.93 0.66 -0.25 0.00 0.00 175.29 177.54 3mfi h SER 353 N 6.12 0.31 -0.78 5.90 4.64 -1.92 -1.12 113.55 126.71 3mfi h SER 353 Ca -0.44 0.02 -0.33 0.00 -0.47 0.00 0.00 61.79 60.56 3mfi h SER 353 Cb 1.21 -0.04 -0.20 0.00 -0.31 0.00 0.00 62.40 63.06 3mfi h SER 353 CO 0.87 0.16 0.42 0.47 -0.87 0.00 0.00 176.83 177.88 3mfi n ASP 354 N -4.46 4.06 -4.68 4.97 10.43 -1.26 -4.86 116.55 120.75 3mfi n ASP 354 Ca 0.14 -3.25 -0.40 0.00 2.57 0.00 0.00 54.79 53.85 3mfi n ASP 354 Cb 0.57 -0.76 -0.06 0.00 1.84 0.00 0.00 41.12 42.71 3mfi n ASP 354 CO 0.00 0.00 0.00 -0.47 -1.07 0.00 0.00 177.20 175.66 3mfi s TYR 355 N -2.80 3.43 0.00 1.24 6.14 -0.43 -5.20 117.35 119.74 3mfi s TYR 355 Ca 0.49 0.97 0.00 0.00 0.64 0.00 0.00 57.07 59.18 3mfi s TYR 355 Cb 0.41 -2.76 0.00 0.00 0.42 0.00 0.00 41.96 40.02 3mfi s TYR 355 CO 0.11 -0.08 0.00 -0.40 0.64 0.00 0.00 175.55 175.81 3mfi n ASP 356 N 4.65 0.00 0.00 4.32 5.75 -1.26 -5.02 116.55 124.99 3mfi n ASP 356 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.76 3mfi n ASP 356 Cb 0.50 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.59 3mfi n ASP 356 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 3mfi n SER 360 N -3.76 0.00 -0.97 -1.12 2.88 -1.26 -5.26 113.62 104.13 3mfi n SER 360 Ca 0.00 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.63 3mfi n SER 360 Cb 0.00 0.00 0.22 0.00 -0.75 0.00 0.00 64.21 63.68 3mfi n SER 360 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 3mfi n ASN 361 N 0.00 3.33 -4.71 -3.46 4.13 -1.26 -4.91 115.26 108.38 3mfi n ASN 361 Ca 0.00 -1.96 -0.38 0.00 1.68 0.00 0.00 54.58 53.91 3mfi n ASN 361 Cb 0.00 -0.32 -0.06 0.00 -1.54 0.00 0.00 39.78 37.86 3mfi n ASN 361 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3mfi s ILE 362 N -1.06 5.16 -0.38 2.41 1.01 -1.26 -5.00 121.20 122.07 3mfi s ILE 362 Ca 0.34 0.98 -0.24 0.00 0.00 0.00 0.00 60.65 61.74 3mfi s ILE 362 Cb 0.18 -3.84 0.01 0.00 0.01 0.00 0.00 42.46 38.83 3mfi s ILE 362 CO 0.25 0.28 0.81 -0.62 0.00 0.00 0.00 174.94 175.66 3mfi s ASP 363 N 0.77 6.55 0.49 3.58 -1.08 -1.26 -4.95 116.67 120.78 3mfi s ASP 363 Ca 0.26 0.32 0.33 0.00 -0.52 0.00 0.00 52.55 52.94 3mfi s ASP 363 Cb -0.15 -2.41 1.54 0.00 -1.46 0.00 0.00 42.92 40.44 3mfi s ASP 363 CO 0.10 -0.79 1.99 1.55 0.52 0.00 0.00 175.17 178.54 3mfi h PRO 364 N 8.58 0.00 -0.01 4.34 0.14 -1.98 -1.12 132.00 141.95 3mfi h PRO 364 Ca -0.24 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.90 3mfi h PRO 364 Cb 1.09 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.23 3mfi h PRO 364 CO 0.94 0.00 -0.21 1.28 0.14 0.00 0.00 178.00 180.15 3mfi n LEU 365 N -2.79 1.04 -1.76 1.56 4.77 -1.26 -4.20 117.00 114.36 3mfi n LEU 365 Ca -0.00 -0.27 -0.06 0.00 -0.03 0.00 0.00 56.01 55.65 3mfi n LEU 365 Cb 0.19 -0.11 0.08 0.00 -2.33 0.00 0.00 43.42 41.25 3mfi n LEU 365 CO 0.21 0.19 0.16 0.29 -1.33 0.00 0.00 177.39 176.91 3mfi n LYS 366 N -0.56 2.02 0.18 3.23 4.76 -0.43 -4.81 118.16 122.56 3mfi n LYS 366 Ca 0.13 -3.41 0.04 0.00 -2.87 0.00 0.00 58.31 52.20 3mfi n LYS 366 Cb 0.34 -1.55 0.34 0.00 -1.84 0.00 0.00 35.03 32.32 3mfi n LYS 366 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 3mfi h THR 367 N 3.54 1.05 -0.11 -0.18 1.35 -1.72 -2.40 112.91 114.43 3mfi h THR 367 Ca 0.05 -1.52 0.00 0.00 -0.55 0.00 0.00 66.41 64.40 3mfi h THR 367 Cb 1.40 1.88 -0.01 0.00 -1.73 0.00 0.00 68.15 69.69 3mfi h THR 367 CO 0.31 0.40 0.06 0.00 -0.25 0.00 0.00 175.52 176.04 3mfi h ALA 368 N 1.60 0.13 -0.84 6.62 0.00 -1.93 0.02 119.26 124.86 3mfi h ALA 368 Ca -0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3mfi h ALA 368 Cb 0.85 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 3mfi h ALA 368 CO 0.05 -0.39 0.44 -0.44 0.00 0.00 0.00 179.25 178.92 3mfi h ASP 369 N 0.13 1.07 -0.29 0.00 3.32 -1.90 -1.43 116.42 117.32 3mfi h ASP 369 Ca 0.04 -0.11 -0.07 0.00 0.02 0.00 0.00 57.03 56.91 3mfi h ASP 369 Cb -0.01 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.26 3mfi h ASP 369 CO -0.02 0.88 -0.09 0.25 -1.72 0.00 0.00 179.24 178.54 3mfi h LEU 370 N 1.18 0.58 -0.31 1.55 5.85 -1.20 -0.97 115.31 121.99 3mfi h LEU 370 Ca 0.29 -0.38 0.03 0.00 0.84 0.00 0.00 57.88 58.66 3mfi h LEU 370 Cb 0.06 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 3mfi h LEU 370 CO -0.04 0.82 0.13 0.00 -0.34 0.00 0.00 178.44 179.01 3mfi h ALA 371 N 0.77 0.36 -0.46 1.25 0.00 -0.86 -0.88 119.26 119.44 3mfi h ALA 371 Ca 0.07 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3mfi h ALA 371 Cb 0.58 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 3mfi h ALA 371 CO 0.03 -0.26 0.29 0.93 0.00 0.00 0.00 179.25 180.24 3mfi h GLU 372 N 0.28 0.62 -0.25 0.00 4.39 -1.16 -0.37 114.58 118.08 3mfi h GLU 372 Ca 0.13 -0.05 0.02 0.00 0.34 0.00 0.00 59.36 59.81 3mfi h GLU 372 Cb 0.08 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 28.57 3mfi h GLU 372 CO -0.11 0.44 0.09 -0.22 -1.16 0.00 0.00 179.01 178.05 3mfi h LYS 373 N 0.62 0.21 -0.38 2.33 3.64 -0.84 0.10 116.57 122.24 3mfi h LYS 373 Ca 0.17 -0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.42 3mfi h LYS 373 Cb -0.03 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 3mfi h LYS 373 CO -0.03 0.14 -0.22 -0.07 -2.27 0.00 0.00 179.45 177.00 3mfi h LEU 374 N 0.21 0.85 -0.22 5.20 3.38 -1.01 0.13 115.31 123.86 3mfi h LEU 374 Ca 0.11 -0.42 0.02 0.00 0.09 0.00 0.00 57.88 57.69 3mfi h LEU 374 Cb 0.07 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 3mfi h LEU 374 CO -0.11 1.08 0.07 0.15 0.09 0.00 0.00 178.44 179.72 3mfi h PHE 375 N 0.62 0.12 -0.18 1.13 3.57 -0.89 -1.70 116.94 119.60 3mfi h PHE 375 Ca 0.08 0.01 -0.18 0.00 3.53 0.00 0.00 57.97 61.42 3mfi h PHE 375 Cb 0.78 -0.02 0.01 0.00 2.79 0.00 0.00 35.95 39.50 3mfi h PHE 375 CO 0.06 0.05 -0.57 0.87 -2.23 0.00 0.00 178.31 176.49 3mfi h LYS 376 N 0.16 0.71 -0.90 1.11 1.57 -0.91 -3.17 116.57 115.15 3mfi h LYS 376 Ca 0.10 -0.52 0.04 0.00 -1.87 0.00 0.00 60.65 58.39 3mfi h LYS 376 Cb 0.07 0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.42 3mfi h LYS 376 CO -0.11 1.14 0.58 -0.07 -0.57 0.00 0.00 179.45 180.42 3mfi h LEU 377 N 0.42 0.96 -0.57 2.94 3.38 -0.64 -0.61 115.31 121.20 3mfi h LEU 377 Ca -0.02 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3mfi h LEU 377 Cb 1.19 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.73 3mfi h LEU 377 CO 0.12 0.66 0.00 -1.54 0.09 0.00 0.00 178.44 177.77 3mfi n SER 378 N -4.52 0.45 -0.44 -0.43 3.41 -0.65 -1.60 113.62 109.84 3mfi n SER 378 Ca 0.12 0.63 0.06 0.00 -0.26 0.00 0.00 58.87 59.41 3mfi n SER 378 Cb 0.09 -0.72 0.04 0.00 -0.26 0.00 0.00 64.21 63.37 3mfi n SER 378 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3mfi n ARG 379 N -2.01 0.95 -1.58 4.33 1.74 -0.69 -4.82 116.66 114.57 3mfi n ARG 379 Ca 0.02 -1.11 -0.08 0.00 -0.77 0.00 0.00 57.85 55.91 3mfi n ARG 379 Cb 0.18 -1.21 -0.02 0.00 -1.02 0.00 0.00 32.46 30.38 3mfi n ARG 379 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3mfi n GLY 380 N 0.74 0.62 0.06 -0.13 0.00 -0.62 -4.74 105.19 101.11 3mfi n GLY 380 Ca 0.07 -0.64 0.08 0.00 0.00 0.00 0.00 46.02 45.52 3mfi n GLY 380 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mfi n ARG 381 N -2.38 1.64 -3.00 1.61 5.12 -0.32 -4.75 116.66 114.59 3mfi n ARG 381 Ca -0.08 -2.32 -0.43 0.00 -1.93 0.00 0.00 57.85 53.08 3mfi n ARG 381 Cb 0.38 -1.38 -0.05 0.00 -1.16 0.00 0.00 32.46 30.25 3mfi n ARG 381 CO 0.00 0.00 0.00 -0.47 -1.93 0.00 0.00 177.63 175.23 3mfi s TYR 382 N -2.44 2.88 -0.34 -1.55 5.04 -1.22 -4.89 117.35 114.84 3mfi s TYR 382 Ca 0.25 -0.47 -0.13 0.00 -2.44 0.00 0.00 57.07 54.28 3mfi s TYR 382 Cb 0.22 -3.93 -0.02 0.00 0.35 0.00 0.00 41.96 38.58 3mfi s TYR 382 CO 0.02 -1.30 0.26 0.20 -1.34 0.00 0.00 175.55 173.39 3mfi s GLY 383 N 3.11 1.96 0.03 8.97 0.00 -1.26 -4.55 107.32 115.57 3mfi s GLY 383 Ca 0.20 -1.36 -0.01 0.00 0.00 0.00 0.00 44.72 43.55 3mfi s GLY 383 CO 0.13 0.80 0.17 1.08 0.00 0.00 0.00 173.10 175.28 3mfi s LEU 384 N 1.76 4.26 0.67 0.66 1.43 -1.26 -4.92 118.68 121.28 3mfi s LEU 384 Ca 0.07 0.26 -0.13 0.00 -1.03 0.00 0.00 54.13 53.30 3mfi s LEU 384 Cb -0.17 -2.70 0.00 0.00 0.03 0.00 0.00 46.19 43.35 3mfi s LEU 384 CO 0.11 0.22 1.07 -2.16 0.23 0.00 0.00 176.35 175.81 3mfi s PRO 385 N -2.19 2.93 0.15 1.29 0.04 -1.26 -4.70 135.00 131.26 3mfi s PRO 385 Ca 0.30 1.10 -0.19 0.00 0.04 0.00 0.00 61.00 62.26 3mfi s PRO 385 Cb -0.13 -1.98 -0.07 0.00 0.04 0.00 0.00 34.50 32.36 3mfi s PRO 385 CO 0.22 -1.12 0.63 -0.51 0.04 0.00 0.00 177.00 176.27 3mfi s LEU 386 N -5.24 4.42 -0.17 -3.56 1.02 -1.26 -5.08 118.68 108.81 3mfi s LEU 386 Ca 0.61 1.30 -0.01 0.00 0.02 0.00 0.00 54.13 56.04 3mfi s LEU 386 Cb -0.16 -3.26 -0.01 0.00 0.02 0.00 0.00 46.19 42.79 3mfi s LEU 386 CO 0.49 0.14 -0.10 -0.94 0.02 0.00 0.00 176.35 175.96 3mfi s SER 387 N -1.46 4.04 -0.23 2.29 1.04 -1.26 -5.02 113.70 113.10 3mfi s SER 387 Ca 0.37 -0.38 -0.29 0.00 0.48 0.00 0.00 55.95 56.12 3mfi s SER 387 Cb -0.18 -1.65 0.01 0.00 0.10 0.00 0.00 66.02 64.31 3mfi s SER 387 CO 0.20 0.08 1.05 -0.55 0.98 0.00 0.00 173.24 175.00 3mfi s SER 388 N 0.88 7.09 0.53 7.02 0.15 -1.26 -4.29 113.70 123.82 3mfi s SER 388 Ca -0.03 1.38 -0.07 0.00 0.70 0.00 0.00 55.95 57.93 3mfi s SER 388 Cb -0.15 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.59 3mfi s SER 388 CO 0.00 -0.68 0.87 -0.13 1.20 0.00 0.00 173.24 174.51 3mfi s ARG 389 N 3.22 3.53 1.06 5.44 0.52 -1.26 -5.06 118.95 126.39 3mfi s ARG 389 Ca 0.44 0.37 -0.14 0.00 -0.52 0.00 0.00 55.73 55.88 3mfi s ARG 389 Cb -0.15 -2.27 0.22 0.00 0.52 0.00 0.00 34.95 33.26 3mfi s ARG 389 CO 0.07 -0.35 1.10 -1.25 0.02 0.00 0.00 175.30 174.89 3mfi s PRO 390 N -4.90 -0.03 0.25 3.54 0.04 -1.26 -4.92 135.00 127.71 3mfi s PRO 390 Ca 0.50 0.31 -0.03 0.00 0.04 0.00 0.00 61.00 61.81 3mfi s PRO 390 Cb -0.11 -1.70 0.44 0.00 0.04 0.00 0.00 34.50 33.17 3mfi s PRO 390 CO 0.48 -3.00 1.79 0.28 0.04 0.00 0.00 177.00 176.59 3mfi h VAL 391 N -2.08 0.84 -2.81 -0.36 2.07 -2.02 -3.42 116.25 108.46 3mfi h VAL 391 Ca -0.52 -0.24 -0.09 0.00 0.82 0.00 0.00 66.70 66.67 3mfi h VAL 391 Cb 1.32 0.07 -0.19 0.00 -1.52 0.00 0.00 31.29 30.98 3mfi h VAL 391 CO 0.52 0.13 -0.12 0.54 0.02 0.00 0.00 177.57 178.66 3mfi s VAL 392 N -6.01 0.04 -0.03 2.57 0.11 -1.26 -5.08 120.40 110.73 3mfi s VAL 392 Ca -0.12 -0.37 -0.02 0.00 -2.93 0.00 0.00 61.98 58.53 3mfi s VAL 392 Cb 0.20 -0.81 -0.02 0.00 -1.53 0.00 0.00 36.38 34.22 3mfi s VAL 392 CO 0.78 -0.20 -0.06 1.17 -3.33 0.00 0.00 175.10 173.46 3mfi n LYS 393 N 0.93 0.10 -4.13 1.54 3.00 -1.26 -4.91 118.16 113.43 3mfi n LYS 393 Ca -0.20 0.04 -0.09 0.00 -0.00 0.00 0.00 58.31 58.07 3mfi n LYS 393 Cb 0.58 -0.66 -0.10 0.00 0.00 0.00 0.00 35.03 34.84 3mfi n LYS 393 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 3mfi s SER 394 N -5.50 0.56 -0.04 3.14 1.04 -1.26 -4.23 113.70 107.41 3mfi s SER 394 Ca -0.06 -1.07 -0.01 0.00 0.48 0.00 0.00 55.95 55.28 3mfi s SER 394 Cb 0.02 0.21 0.03 0.00 0.10 0.00 0.00 66.02 66.39 3mfi s SER 394 CO 0.08 -0.62 0.07 -0.04 0.98 0.00 0.00 173.24 173.71 3mfi s MET 395 N -3.95 0.00 0.05 4.02 -1.94 -0.56 -4.99 119.30 111.93 3mfi s MET 395 Ca 0.14 0.27 0.09 0.00 -1.71 0.00 0.00 55.69 54.48 3mfi s MET 395 Cb 0.07 -0.25 -0.03 0.00 2.01 0.00 0.00 34.83 36.64 3mfi s MET 395 CO -0.05 -0.19 -0.25 1.41 -0.01 0.00 0.00 175.02 175.93 3mfi s MET 396 N 1.23 1.66 -0.11 2.03 0.00 -1.26 -0.18 119.30 122.67 3mfi s MET 396 Ca -0.08 -1.08 0.00 0.00 0.00 0.00 0.00 55.69 54.53 3mfi s MET 396 Cb -0.12 -1.84 0.02 0.00 0.00 0.00 0.00 34.83 32.88 3mfi s MET 396 CO -0.04 0.47 -0.11 0.45 0.00 0.00 0.00 175.02 175.80 3mfi s SER 397 N -1.28 2.26 -0.02 1.11 0.15 0.09 -5.00 113.70 111.02 3mfi s SER 397 Ca 0.11 -0.36 0.03 0.00 0.70 0.00 0.00 55.95 56.43 3mfi s SER 397 Cb -0.10 -0.94 -0.00 0.00 -1.71 0.00 0.00 66.02 63.27 3mfi s SER 397 CO 0.02 -0.07 -0.10 0.21 1.20 0.00 0.00 173.24 174.51 3mfi s ASN 398 N 1.43 1.21 -0.21 5.45 2.47 -1.26 -1.15 114.94 122.89 3mfi s ASN 398 Ca 0.01 -0.19 -0.03 0.00 0.42 0.00 0.00 52.86 53.07 3mfi s ASN 398 Cb -0.13 -0.23 0.06 0.00 -1.45 0.00 0.00 41.25 39.50 3mfi s ASN 398 CO -0.06 0.10 0.05 -0.75 -3.72 0.00 0.00 177.10 172.71 3mfi s LYS 399 N -0.02 0.62 0.20 0.43 2.47 -0.33 -4.78 119.74 118.33 3mfi s LYS 399 Ca 0.00 -0.47 -0.30 0.00 -1.56 0.00 0.00 55.97 53.65 3mfi s LYS 399 Cb -0.06 -2.06 -0.08 0.00 -1.46 0.00 0.00 37.83 34.16 3mfi s LYS 399 CO 0.00 -0.68 1.10 -0.80 0.16 0.00 0.00 175.35 175.12 3mfi s ASN 400 N 1.86 7.28 -0.06 1.43 -0.87 -1.26 -1.43 114.94 121.89 3mfi s ASN 400 Ca 0.00 2.12 0.05 0.00 -1.57 0.00 0.00 52.86 53.46 3mfi s ASN 400 Cb -0.17 -2.61 -0.02 0.00 -0.02 0.00 0.00 41.25 38.43 3mfi s ASN 400 CO -0.10 -0.20 -0.19 -0.76 -2.57 0.00 0.00 177.10 173.28 3mfi s LEU 401 N -0.58 2.41 0.03 0.60 1.43 0.07 -4.92 118.68 117.71 3mfi s LEU 401 Ca 0.48 -0.36 0.04 0.00 -1.03 0.00 0.00 54.13 53.26 3mfi s LEU 401 Cb -0.30 -1.47 -0.04 0.00 0.03 0.00 0.00 46.19 44.42 3mfi s LEU 401 CO 0.36 0.29 -0.05 0.00 0.23 0.00 0.00 176.35 177.18 3mfi s ARG 402 N -0.41 2.55 5.96 1.70 1.04 -1.26 -4.52 118.95 124.01 3mfi s ARG 402 Ca 0.04 -0.75 0.00 0.00 -1.04 0.00 0.00 55.73 53.98 3mfi s ARG 402 Cb -0.12 -2.52 0.00 0.00 -2.04 0.00 0.00 34.95 30.27 3mfi s ARG 402 CO 0.02 0.59 0.00 0.41 -0.04 0.00 0.00 175.30 176.27 3mfi n GLY 403 N 1.27 3.34 1.32 3.88 0.00 -1.26 -2.54 105.19 111.20 3mfi n GLY 403 Ca -0.14 -0.07 -0.04 0.00 0.00 0.00 0.00 46.02 45.77 3mfi n GLY 403 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3mfi n LYS 404 N 14.00 2.39 0.01 1.61 5.02 -1.26 -4.67 118.16 135.26 3mfi n LYS 404 Ca 0.00 -3.06 0.09 0.00 -2.02 0.00 0.00 58.31 53.32 3mfi n LYS 404 Cb 0.00 -1.92 0.39 0.00 -0.02 0.00 0.00 35.03 33.49 3mfi n LYS 404 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3mfi n SER 405 N -0.86 0.05 -3.55 4.39 3.41 -1.05 -3.40 113.62 112.61 3mfi n SER 405 Ca 0.34 0.51 -0.28 0.00 -0.26 0.00 0.00 58.87 59.19 3mfi n SER 405 Cb 1.12 -0.52 -0.11 0.00 -0.26 0.00 0.00 64.21 64.44 3mfi n SER 405 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mfi n ASN 407 N 2.86 2.65 -3.69 0.00 4.05 -1.22 -1.23 115.26 118.68 3mfi n ASN 407 Ca 0.23 -1.98 -0.04 0.00 0.45 0.00 0.00 54.58 53.25 3mfi n ASN 407 Cb 0.42 -0.17 -0.01 0.00 1.23 0.00 0.00 39.78 41.26 3mfi n ASN 407 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 177.26 173.27 3mfi s SER 408 N -0.99 -0.15 0.52 1.20 1.04 -1.26 -4.83 113.70 109.23 3mfi s SER 408 Ca 0.17 -0.46 0.20 0.00 0.48 0.00 0.00 55.95 56.34 3mfi s SER 408 Cb 0.09 0.50 1.37 0.00 0.10 0.00 0.00 66.02 68.08 3mfi s SER 408 CO 0.12 -0.94 2.14 -0.29 0.98 0.00 0.00 173.24 175.24 3mfi h ILE 409 N 2.00 0.87 -0.46 -1.02 6.09 -1.98 -1.70 117.51 121.31 3mfi h ILE 409 Ca -0.25 -0.17 -0.04 0.00 -1.37 0.00 0.00 64.86 63.03 3mfi h ILE 409 Cb 1.23 1.10 -0.02 0.00 0.47 0.00 0.00 36.82 39.60 3mfi h ILE 409 CO 0.27 0.05 0.12 0.58 -3.07 0.00 0.00 178.15 176.09 3mfi h VAL 410 N 0.00 1.23 -0.49 2.19 2.07 -2.00 -1.64 116.25 117.62 3mfi h VAL 410 Ca -0.00 -0.81 -0.12 0.00 0.82 0.00 0.00 66.70 66.59 3mfi h VAL 410 Cb 0.09 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 3mfi h VAL 410 CO 0.01 0.29 -0.17 0.44 0.02 0.00 0.00 177.57 178.16 3mfi h ASP 411 N 0.61 0.96 -0.39 0.57 3.32 -1.70 -2.07 116.42 117.72 3mfi h ASP 411 Ca 0.14 -0.34 0.05 0.00 0.02 0.00 0.00 57.03 56.91 3mfi h ASP 411 Cb 0.32 -0.26 -0.05 0.00 0.22 0.00 0.00 39.33 39.55 3mfi h ASP 411 CO 0.00 1.11 0.11 0.00 -1.72 0.00 0.00 179.24 178.74 3mfi h ILE 413 N 0.25 1.28 -0.63 0.00 2.04 -1.15 -0.10 117.51 119.19 3mfi h ILE 413 Ca 0.19 -1.41 0.04 0.00 1.00 0.00 0.00 64.86 64.67 3mfi h ILE 413 Cb 0.20 1.34 -0.05 0.00 -0.74 0.00 0.00 36.82 37.57 3mfi h ILE 413 CO -0.22 0.46 0.37 -1.28 0.00 0.00 0.00 178.15 177.48 3mfi h SER 414 N 0.59 0.58 -0.51 1.72 0.87 -1.04 0.15 113.55 115.92 3mfi h SER 414 Ca 0.07 0.01 -0.10 0.00 -1.23 0.00 0.00 61.79 60.54 3mfi h SER 414 Cb 0.80 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.63 3mfi h SER 414 CO 0.07 0.40 -0.08 -0.50 -0.53 0.00 0.00 176.83 176.19 3mfi h TRP 415 N 0.71 1.06 -0.70 2.24 4.06 -1.00 -2.98 115.95 119.34 3mfi h TRP 415 Ca 0.26 -0.21 0.04 0.00 2.06 0.00 0.00 58.89 61.04 3mfi h TRP 415 Cb 0.08 -0.26 -0.04 0.00 -1.00 0.00 0.00 29.16 27.94 3mfi h TRP 415 CO -0.06 1.00 0.46 -0.07 -3.56 0.00 0.00 178.44 176.20 3mfi h LEU 416 N 0.81 0.70 -1.12 -4.49 3.38 -0.25 -1.47 115.31 112.88 3mfi h LEU 416 Ca 0.13 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.11 3mfi h LEU 416 Cb 0.63 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.17 3mfi h LEU 416 CO 0.04 0.48 0.58 -0.33 0.09 0.00 0.00 178.44 179.30 3mfi h GLU 417 N 0.81 1.17 -0.22 1.13 5.08 -0.84 0.45 114.58 122.16 3mfi h GLU 417 Ca 0.29 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.53 3mfi h GLU 417 Cb 0.12 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 3mfi h GLU 417 CO -0.08 0.78 -0.01 0.28 -1.00 0.00 0.00 179.01 178.98 3mfi h VAL 418 N 1.21 1.26 -0.64 3.13 2.07 -1.23 -2.47 116.25 119.57 3mfi h VAL 418 Ca 0.32 -0.92 0.05 0.00 0.82 0.00 0.00 66.70 66.97 3mfi h VAL 418 Cb -0.13 1.42 -0.05 0.00 -1.52 0.00 0.00 31.29 31.01 3mfi h VAL 418 CO -0.07 0.29 0.36 -0.26 0.02 0.00 0.00 177.57 177.91 3mfi h PHE 419 N 0.16 0.67 -0.52 1.57 0.04 -0.82 -0.17 116.94 117.87 3mfi h PHE 419 Ca 0.06 0.02 -0.12 0.00 2.80 0.00 0.00 57.97 60.74 3mfi h PHE 419 Cb 0.43 -0.21 -0.02 0.00 2.20 0.00 0.00 35.95 38.35 3mfi h PHE 419 CO 0.04 0.34 -0.14 0.00 -0.60 0.00 0.00 178.31 177.95 3mfi h ALA 421 N 0.94 0.42 0.09 0.00 0.00 -1.07 -1.86 119.26 117.78 3mfi h ALA 421 Ca 0.13 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3mfi h ALA 421 Cb 0.71 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3mfi h ALA 421 CO 0.05 -0.11 -0.04 1.49 0.00 0.00 0.00 179.25 180.64 3mfi h GLU 422 N 0.45 -0.12 -0.69 0.00 4.81 -0.68 -1.79 114.58 116.55 3mfi h GLU 422 Ca 0.12 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.31 3mfi h GLU 422 Cb -0.05 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.33 3mfi h GLU 422 CO -0.03 -0.04 0.25 -0.07 -0.73 0.00 0.00 179.01 178.40 3mfi h LEU 423 N -0.17 0.97 -0.81 1.64 3.38 -1.03 -1.52 115.31 117.77 3mfi h LEU 423 Ca -0.01 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.73 3mfi h LEU 423 Cb 0.14 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 3mfi h LEU 423 CO 0.02 0.90 0.36 0.74 0.09 0.00 0.00 178.44 180.55 3mfi h THR 424 N 0.99 1.26 -0.64 0.22 2.02 -1.25 -0.53 112.91 114.99 3mfi h THR 424 Ca 0.23 -0.77 -0.08 0.00 0.77 0.00 0.00 66.41 66.56 3mfi h THR 424 Cb 0.24 0.26 -0.03 0.00 -1.74 0.00 0.00 68.15 66.89 3mfi h THR 424 CO -0.01 0.32 0.07 -1.28 0.37 0.00 0.00 175.52 174.99 3mfi h SER 425 N 1.16 1.03 -0.51 4.18 0.87 -1.03 -1.00 113.55 118.25 3mfi h SER 425 Ca 0.27 -0.26 -0.05 0.00 -1.23 0.00 0.00 61.79 60.53 3mfi h SER 425 Cb 0.17 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 61.83 3mfi h SER 425 CO -0.03 1.04 0.13 0.03 -0.53 0.00 0.00 176.83 177.46 3mfi h ARG 426 N 0.99 0.81 -0.34 2.24 3.08 -0.78 -1.31 114.38 119.07 3mfi h ARG 426 Ca 0.19 -0.19 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 3mfi h ARG 426 Cb 0.47 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.39 3mfi h ARG 426 CO 0.02 0.77 0.15 0.82 -1.07 0.00 0.00 179.97 180.66 3mfi h ILE 427 N 0.70 1.18 -0.47 2.04 2.04 -0.94 -1.68 117.51 120.37 3mfi h ILE 427 Ca 0.16 -0.52 0.03 0.00 1.00 0.00 0.00 64.86 65.52 3mfi h ILE 427 Cb 0.33 0.89 -0.03 0.00 -0.74 0.00 0.00 36.82 37.26 3mfi h ILE 427 CO 0.00 0.19 0.27 -0.61 0.00 0.00 0.00 178.15 178.00 3mfi h GLN 428 N 0.41 0.52 -0.62 2.37 4.15 -1.04 -1.02 115.11 119.88 3mfi h GLN 428 Ca 0.12 -0.03 0.03 0.00 0.77 0.00 0.00 58.65 59.53 3mfi h GLN 428 Cb 0.16 -0.12 -0.04 0.00 0.21 0.00 0.00 27.48 27.69 3mfi h GLN 428 CO -0.01 0.35 0.38 -0.44 -1.93 0.00 0.00 178.83 177.17 3mfi h ASP 429 N 0.54 0.61 -0.47 -0.69 3.45 -1.06 -2.08 116.42 116.72 3mfi h ASP 429 Ca 0.19 0.00 -0.04 0.00 0.43 0.00 0.00 57.03 57.62 3mfi h ASP 429 Cb 0.04 -0.13 -0.02 0.00 -0.56 0.00 0.00 39.33 38.66 3mfi h ASP 429 CO -0.10 0.43 0.16 -0.07 -1.57 0.00 0.00 179.24 178.08 3mfi h LEU 430 N 0.74 0.68 -0.72 1.55 3.38 -0.85 -0.69 115.31 119.41 3mfi h LEU 430 Ca 0.25 -0.20 0.08 0.00 0.09 0.00 0.00 57.88 58.11 3mfi h LEU 430 Cb 0.04 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 40.54 3mfi h LEU 430 CO -0.11 0.70 0.38 -0.33 0.09 0.00 0.00 178.44 179.17 3mfi h GLU 431 N 0.63 0.64 -0.19 1.13 5.08 -0.98 -0.95 114.58 119.94 3mfi h GLU 431 Ca 0.15 -0.04 -0.16 0.00 -1.00 0.00 0.00 59.36 58.32 3mfi h GLU 431 Cb 0.25 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.36 3mfi h GLU 431 CO -0.01 0.43 -0.50 1.96 -1.00 0.00 0.00 179.01 179.89 3mfi h GLN 432 N 0.66 0.68 -0.27 2.33 1.08 -1.21 -0.58 115.11 117.80 3mfi h GLN 432 Ca 0.34 -0.47 -0.11 0.00 -1.45 0.00 0.00 58.65 56.96 3mfi h GLN 432 Cb 0.31 0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.79 3mfi h GLN 432 CO -0.24 1.09 -0.29 1.49 -0.95 0.00 0.00 178.83 179.93 3mfi h GLU 433 N 0.37 0.56 -0.01 1.46 4.81 -0.89 -3.30 114.58 117.57 3mfi h GLU 433 Ca -0.01 -0.23 0.00 0.00 -0.13 0.00 0.00 59.36 58.99 3mfi h GLU 433 Cb 1.11 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.47 3mfi h GLU 433 CO 0.11 0.79 -0.06 0.66 -0.73 0.00 0.00 179.01 179.78 3mfi n TYR 434 N -4.09 0.00 -3.39 0.92 4.02 -0.38 -5.03 117.16 109.21 3mfi n TYR 434 Ca -0.01 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.71 3mfi n TYR 434 Cb 0.44 0.00 0.07 0.00 -0.02 0.00 0.00 39.34 39.84 3mfi n TYR 434 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 3mfi n ASN 435 N 0.13 -4.20 -4.29 7.72 5.15 -0.25 -4.93 115.26 114.60 3mfi n ASN 435 Ca 0.04 -0.70 -0.15 0.00 -0.60 0.00 0.00 54.58 53.16 3mfi n ASN 435 Cb 0.17 -4.96 -0.10 0.00 -0.53 0.00 0.00 39.78 34.36 3mfi n ASN 435 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3mfi s LYS 436 N -5.03 1.20 -0.21 1.20 -0.14 -1.07 -2.99 119.74 112.70 3mfi s LYS 436 Ca 0.23 -1.58 -0.10 0.00 -1.36 0.00 0.00 55.97 53.17 3mfi s LYS 436 Cb -0.04 -0.55 -0.05 0.00 -1.68 0.00 0.00 37.83 35.52 3mfi s LYS 436 CO 0.75 -0.05 0.13 0.42 -0.76 0.00 0.00 175.35 175.84 3mfi s ILE 437 N -3.44 5.26 -0.24 2.17 1.01 -0.56 -4.49 121.20 120.91 3mfi s ILE 437 Ca 0.24 0.14 0.03 0.00 0.00 0.00 0.00 60.65 61.05 3mfi s ILE 437 Cb 0.05 -3.42 0.05 0.00 0.01 0.00 0.00 42.46 39.15 3mfi s ILE 437 CO 0.05 0.40 -0.13 -0.69 0.00 0.00 0.00 174.94 174.58 3mfi s VAL 438 N 0.66 2.13 -0.28 2.92 1.01 -1.26 -0.66 120.40 124.92 3mfi s VAL 438 Ca 0.07 -1.48 0.03 0.00 0.00 0.00 0.00 61.98 60.59 3mfi s VAL 438 Cb -0.12 -2.18 0.07 0.00 0.00 0.00 0.00 36.38 34.15 3mfi s VAL 438 CO 0.01 0.08 -0.07 -0.63 0.00 0.00 0.00 175.10 174.49 3mfi s ILE 439 N 1.15 2.23 0.24 2.22 1.01 0.22 -4.99 121.20 123.28 3mfi s ILE 439 Ca -0.06 -1.79 -0.31 0.00 0.00 0.00 0.00 60.65 58.50 3mfi s ILE 439 Cb -0.19 -2.39 -0.11 0.00 0.01 0.00 0.00 42.46 39.79 3mfi s ILE 439 CO -0.07 -0.16 1.55 -2.84 0.00 0.00 0.00 174.94 173.42 3mfi s PRO 440 N 1.06 4.19 -0.08 2.79 0.02 -1.26 -0.20 135.00 141.52 3mfi s PRO 440 Ca -0.04 2.44 0.02 0.00 0.02 0.00 0.00 61.00 63.44 3mfi s PRO 440 Cb -0.20 -3.09 -0.06 0.00 0.02 0.00 0.00 34.50 31.17 3mfi s PRO 440 CO -0.06 -0.56 -0.04 0.54 -0.33 0.00 0.00 177.00 176.55 3mfi n ARG 441 N 2.80 1.18 -4.29 5.54 3.00 -0.08 -4.75 116.66 120.06 3mfi n ARG 441 Ca 0.10 0.03 -0.19 0.00 -0.01 0.00 0.00 57.85 57.78 3mfi n ARG 441 Cb 0.38 -1.17 -0.15 0.00 0.00 0.00 0.00 32.46 31.52 3mfi n ARG 441 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 3mfi s THR 442 N -2.16 0.63 0.07 0.55 2.01 -1.15 -1.30 115.64 114.29 3mfi s THR 442 Ca -0.08 -0.29 0.08 0.00 0.31 0.00 0.00 61.69 61.71 3mfi s THR 442 Cb 0.03 -0.57 -0.03 0.00 0.01 0.00 0.00 72.50 71.94 3mfi s THR 442 CO 0.22 0.20 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.44 3mfi s VAL 443 N 0.18 1.82 -0.07 3.82 1.01 -0.11 -1.40 120.40 125.65 3mfi s VAL 443 Ca -0.02 -1.37 0.03 0.00 0.00 0.00 0.00 61.98 60.61 3mfi s VAL 443 Cb -0.07 -1.59 0.01 0.00 0.00 0.00 0.00 36.38 34.72 3mfi s VAL 443 CO 0.00 0.15 -0.14 -0.55 0.00 0.00 0.00 175.10 174.57 3mfi s SER 444 N -1.46 1.95 -0.17 3.32 0.15 1.00 -1.37 113.70 117.11 3mfi s SER 444 Ca 0.09 -0.33 -0.08 0.00 0.70 0.00 0.00 55.95 56.32 3mfi s SER 444 Cb -0.09 -0.89 -0.04 0.00 -1.71 0.00 0.00 66.02 63.28 3mfi s SER 444 CO 0.03 0.05 0.10 -0.63 1.20 0.00 0.00 173.24 173.99 3mfi s ILE 445 N 0.60 5.13 -0.02 6.45 -1.09 0.55 -0.78 121.20 132.04 3mfi s ILE 445 Ca -0.15 0.08 0.03 0.00 -2.23 0.00 0.00 60.65 58.38 3mfi s ILE 445 Cb -0.16 -3.30 -0.00 0.00 -1.58 0.00 0.00 42.46 37.42 3mfi s ILE 445 CO 0.04 0.49 -0.10 -0.55 -1.23 0.00 0.00 174.94 173.59 3mfi s SER 446 N 0.07 1.27 0.09 3.58 0.15 -0.76 -1.24 113.70 116.86 3mfi s SER 446 Ca 0.07 -0.20 -0.08 0.00 0.70 0.00 0.00 55.95 56.45 3mfi s SER 446 Cb -0.12 -0.29 -0.00 0.00 -1.71 0.00 0.00 66.02 63.90 3mfi s SER 446 CO -0.00 0.09 0.18 -1.48 1.20 0.00 0.00 173.24 173.23 3mfi s LEU 447 N 0.07 1.46 -0.03 3.45 0.05 -0.23 -0.58 118.68 122.87 3mfi s LEU 447 Ca -0.01 -0.69 0.04 0.00 0.05 0.00 0.00 54.13 53.52 3mfi s LEU 447 Cb -0.08 0.99 -0.00 0.00 -2.05 0.00 0.00 46.19 45.05 3mfi s LEU 447 CO 0.00 -0.73 -0.14 -0.75 -0.55 0.00 0.00 176.35 174.19 3mfi s LYS 448 N -3.87 1.32 0.84 1.48 2.47 -0.47 -1.09 119.74 120.42 3mfi s LYS 448 Ca 0.06 -0.48 -0.10 0.00 -1.56 0.00 0.00 55.97 53.90 3mfi s LYS 448 Cb 0.05 -1.21 0.15 0.00 -1.46 0.00 0.00 37.83 35.37 3mfi s LYS 448 CO -0.10 0.22 1.17 0.95 0.16 0.00 0.00 175.35 177.74 3mfi s THR 449 N -0.01 2.08 0.55 3.43 -4.23 -0.47 -0.79 115.64 116.20 3mfi s THR 449 Ca -0.01 -0.23 0.26 0.00 -1.18 0.00 0.00 61.69 60.53 3mfi s THR 449 Cb -0.09 -2.85 0.38 0.00 1.34 0.00 0.00 72.50 71.29 3mfi s THR 449 CO 0.01 0.00 2.01 0.07 -0.54 0.00 0.00 174.62 176.17 3mfi h LYS 450 N -1.11 0.00 -0.62 3.99 -0.00 -0.77 0.33 116.57 118.39 3mfi h LYS 450 Ca -0.42 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.23 3mfi h LYS 450 Cb 1.26 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.49 3mfi h LYS 450 CO 0.43 0.00 0.00 -1.13 -0.00 0.00 0.00 179.45 178.75 3mfi n SER 451 N -4.18 3.58 -0.52 7.07 3.41 -1.26 -4.95 113.62 116.77 3mfi n SER 451 Ca 0.07 -2.15 -0.07 0.00 -0.26 0.00 0.00 58.87 56.47 3mfi n SER 451 Cb 0.54 -0.46 -0.03 0.00 -0.26 0.00 0.00 64.21 64.01 3mfi n SER 451 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3mfi n TYR 452 N 1.13 0.00 -2.48 7.33 4.02 0.11 -5.00 117.16 122.27 3mfi n TYR 452 Ca 0.21 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.69 3mfi n TYR 452 Cb 0.61 -1.69 -0.04 0.00 -0.02 0.00 0.00 39.34 38.21 3mfi n TYR 452 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 3mfi s GLU 453 N -2.20 4.55 -0.07 -0.72 2.12 -1.26 -4.70 118.70 116.42 3mfi s GLU 453 Ca 0.00 1.75 -0.19 0.00 0.36 0.00 0.00 54.97 56.89 3mfi s GLU 453 Cb 0.00 -3.28 -0.05 0.00 0.26 0.00 0.00 34.13 31.06 3mfi s GLU 453 CO 0.00 -0.01 0.54 0.08 -0.54 0.00 0.00 175.26 175.33 3mfi s VAL 454 N 0.00 5.07 -0.07 3.70 1.01 -1.26 -1.37 120.40 127.49 3mfi s VAL 454 Ca 0.51 1.10 0.05 0.00 0.00 0.00 0.00 61.98 63.65 3mfi s VAL 454 Cb -0.30 -3.87 -0.00 0.00 0.00 0.00 0.00 36.38 32.20 3mfi s VAL 454 CO 0.34 0.36 -0.23 -0.31 0.00 0.00 0.00 175.10 175.27 3mfi s TYR 455 N 0.26 2.31 0.04 5.22 1.51 -0.25 -5.00 117.35 121.44 3mfi s TYR 455 Ca 0.29 -0.78 0.01 0.00 -1.01 0.00 0.00 57.07 55.58 3mfi s TYR 455 Cb -0.17 -1.53 -0.03 0.00 -0.11 0.00 0.00 41.96 40.13 3mfi s TYR 455 CO 0.14 -0.28 -0.05 -0.98 -1.11 0.00 0.00 175.55 173.27 3mfi s ARG 456 N 0.07 0.48 -0.12 -0.62 1.70 -1.26 -1.07 118.95 118.13 3mfi s ARG 456 Ca -0.09 -0.81 -0.10 0.00 -0.47 0.00 0.00 55.73 54.26 3mfi s ARG 456 Cb -0.15 -0.06 0.04 0.00 -0.57 0.00 0.00 34.95 34.21 3mfi s ARG 456 CO 0.05 -0.02 0.32 0.21 -1.08 0.00 0.00 175.30 174.78 3mfi s LYS 457 N -2.02 0.35 0.09 3.89 2.20 -0.37 -5.01 119.74 118.87 3mfi s LYS 457 Ca -0.08 0.49 0.03 0.00 -0.36 0.00 0.00 55.97 56.05 3mfi s LYS 457 Cb -0.06 0.12 -0.04 0.00 -1.51 0.00 0.00 37.83 36.34 3mfi s LYS 457 CO -0.02 -0.07 -0.09 -1.54 -0.36 0.00 0.00 175.35 173.27 3mfi s SER 458 N 0.43 1.33 0.00 1.43 1.04 -1.26 -0.33 113.70 116.34 3mfi s SER 458 Ca -0.02 -0.83 0.00 0.00 0.48 0.00 0.00 55.95 55.57 3mfi s SER 458 Cb -0.04 0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.11 3mfi s SER 458 CO -0.02 -0.30 0.00 0.61 0.98 0.00 0.00 173.24 174.50 3mfi n GLY 459 N 0.49 -1.43 3.77 7.32 0.00 -0.47 -5.00 105.19 109.87 3mfi n GLY 459 Ca -0.16 -1.06 -0.35 0.00 0.00 0.00 0.00 46.02 44.45 3mfi n GLY 459 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3mfi s PRO 460 N -1.93 3.25 -0.03 1.61 0.04 -1.26 -0.93 135.00 135.75 3mfi s PRO 460 Ca 0.00 1.65 0.07 0.00 0.04 0.00 0.00 61.00 62.76 3mfi s PRO 460 Cb 0.00 -1.99 -0.02 0.00 0.04 0.00 0.00 34.50 32.53 3mfi s PRO 460 CO 0.00 -0.94 -0.23 0.54 0.04 0.00 0.00 177.00 176.41 3mfi s VAL 461 N -1.75 2.29 0.58 -0.36 0.11 -0.42 -4.78 120.40 116.07 3mfi s VAL 461 Ca 0.74 -1.01 -0.15 0.00 -2.93 0.00 0.00 61.98 58.62 3mfi s VAL 461 Cb -0.25 -1.82 -0.05 0.00 -1.53 0.00 0.00 36.38 32.73 3mfi s VAL 461 CO 0.29 0.58 1.02 0.00 -3.33 0.00 0.00 175.10 173.66 3mfi s ALA 462 N -0.58 2.91 -0.09 1.54 0.00 -1.26 -4.63 121.76 119.65 3mfi s ALA 462 Ca 0.09 0.21 0.04 0.00 0.00 0.00 0.00 51.96 52.30 3mfi s ALA 462 Cb -0.11 -3.16 -0.00 0.00 0.00 0.00 0.00 23.12 19.85 3mfi s ALA 462 CO -0.00 -0.61 -0.24 -0.47 0.00 0.00 0.00 175.76 174.44 3mfi s TYR 463 N -2.69 2.53 -0.02 0.00 5.04 -1.26 -4.84 117.35 116.12 3mfi s TYR 463 Ca 0.60 -0.99 0.06 0.00 -2.44 0.00 0.00 57.07 54.30 3mfi s TYR 463 Cb -0.13 -1.69 0.10 0.00 0.35 0.00 0.00 41.96 40.60 3mfi s TYR 463 CO 0.39 -0.39 1.04 1.63 -1.34 0.00 0.00 175.55 176.89 3mfi n LYS 464 N 3.43 0.14 0.00 4.97 5.02 -1.26 -5.14 118.16 125.32 3mfi n LYS 464 Ca -0.19 -1.34 0.00 0.00 -2.02 0.00 0.00 58.31 54.76 3mfi n LYS 464 Cb 0.53 -0.53 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 3mfi n LYS 464 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3mfi n GLY 465 N -0.07 1.37 0.27 0.72 0.00 -1.26 -4.52 105.19 101.70 3mfi n GLY 465 Ca 0.03 -1.88 0.04 0.00 0.00 0.00 0.00 46.02 44.21 3mfi n GLY 465 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3mfi h ILE 466 N 0.00 1.11 0.00 -0.61 6.09 -2.00 -2.19 117.51 119.92 3mfi h ILE 466 Ca 0.00 -0.40 0.00 0.00 -1.37 0.00 0.00 64.86 63.09 3mfi h ILE 466 Cb 0.00 0.91 0.00 0.00 0.47 0.00 0.00 36.82 38.20 3mfi h ILE 466 CO 0.00 0.14 0.00 0.78 -3.07 0.00 0.00 178.15 176.00 3mfi h ASN 467 N 0.30 0.00 -0.14 2.19 2.35 -2.02 -2.81 115.58 115.45 3mfi h ASN 467 Ca 0.07 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 3mfi h ASN 467 Cb 0.14 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.51 3mfi h ASN 467 CO -0.00 0.00 0.00 0.49 -1.65 0.00 0.00 177.43 176.27 3mfi n PHE 468 N -2.51 0.18 -0.15 1.19 3.72 -0.86 -4.79 117.46 114.24 3mfi n PHE 468 Ca 0.02 -0.42 -0.11 0.00 -0.05 0.00 0.00 57.45 56.89 3mfi n PHE 468 Cb 0.26 -0.03 -0.01 0.00 -0.94 0.00 0.00 39.48 38.76 3mfi n PHE 468 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 3mfi h GLN 469 N 0.96 0.87 -0.46 -1.08 5.75 -1.17 -1.52 115.11 118.45 3mfi h GLN 469 Ca 0.00 -0.34 -0.06 0.00 -0.15 0.00 0.00 58.65 58.11 3mfi h GLN 469 Cb 0.55 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 29.03 3mfi h GLN 469 CO 0.00 0.98 0.07 1.03 -2.65 0.00 0.00 178.83 178.26 3mfi h SER 470 N 0.71 0.74 -0.46 -0.69 0.87 -1.85 -1.47 113.55 111.39 3mfi h SER 470 Ca 0.11 -0.26 0.02 0.00 -1.23 0.00 0.00 61.79 60.43 3mfi h SER 470 Cb 0.66 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 62.39 3mfi h SER 470 CO 0.05 0.81 0.28 -0.74 -0.53 0.00 0.00 176.83 176.70 3mfi h HIS 471 N 0.63 0.52 -0.60 2.24 -0.00 -1.86 -0.86 115.15 115.22 3mfi h HIS 471 Ca 0.14 0.02 -0.08 0.00 -0.00 0.00 0.00 60.37 60.45 3mfi h HIS 471 Cb 0.39 -0.17 -0.02 0.00 -0.00 0.00 0.00 27.41 27.61 3mfi h HIS 471 CO 0.03 0.30 0.07 0.93 -0.00 0.00 0.00 177.93 179.26 3mfi h GLU 472 N 0.56 1.00 -0.38 5.26 4.39 -1.00 -0.64 114.58 123.76 3mfi h GLU 472 Ca 0.18 -0.27 -0.02 0.00 0.34 0.00 0.00 59.36 59.60 3mfi h GLU 472 Cb 0.00 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.52 3mfi h GLU 472 CO -0.08 0.94 0.18 -0.07 -1.16 0.00 0.00 179.01 178.82 3mfi h LEU 473 N 0.93 0.51 -0.71 1.33 3.38 -1.06 -3.16 115.31 116.53 3mfi h LEU 473 Ca 0.18 -0.14 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 3mfi h LEU 473 Cb 0.45 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 3mfi h LEU 473 CO 0.02 0.50 -0.09 0.25 0.09 0.00 0.00 178.44 179.21 3mfi h LEU 474 N 0.48 0.89 -0.55 1.67 5.85 -0.83 -0.99 115.31 121.83 3mfi h LEU 474 Ca 0.13 -0.27 0.11 0.00 0.84 0.00 0.00 57.88 58.68 3mfi h LEU 474 Cb 0.14 -0.24 -0.09 0.00 0.37 0.00 0.00 40.66 40.84 3mfi h LEU 474 CO -0.02 1.01 0.04 0.11 -0.34 0.00 0.00 178.44 179.24 3mfi h LYS 475 N 0.81 0.15 -0.13 1.25 1.57 -1.13 0.30 116.57 119.40 3mfi h LYS 475 Ca 0.14 -0.01 -0.17 0.00 -1.87 0.00 0.00 60.65 58.74 3mfi h LYS 475 Cb 0.61 -0.03 0.01 0.00 0.08 0.00 0.00 32.23 32.89 3mfi h LYS 475 CO 0.04 0.10 -0.59 0.28 -0.57 0.00 0.00 179.45 178.71 3mfi h VAL 476 N 0.15 1.33 -0.39 0.50 2.07 -1.45 -2.64 116.25 115.82 3mfi h VAL 476 Ca 0.28 -1.87 0.06 0.00 0.82 0.00 0.00 66.70 66.00 3mfi h VAL 476 Cb 0.43 2.11 -0.05 0.00 -1.52 0.00 0.00 31.29 32.25 3mfi h VAL 476 CO -0.43 0.57 0.08 1.23 0.02 0.00 0.00 177.57 179.04 3mfi h GLY 477 N 0.27 0.46 1.00 2.17 0.00 -0.88 0.21 103.07 106.31 3mfi h GLY 477 Ca -0.04 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.27 3mfi h GLY 477 CO 0.12 -0.03 0.24 -2.22 0.00 0.00 0.00 176.54 174.65 3mfi h ILE 478 N 0.21 1.10 -0.34 2.60 2.04 -0.96 -0.52 117.51 121.65 3mfi h ILE 478 Ca 0.19 -0.20 0.05 0.00 1.00 0.00 0.00 64.86 65.90 3mfi h ILE 478 Cb 0.22 0.57 -0.04 0.00 -0.74 0.00 0.00 36.82 36.83 3mfi h ILE 478 CO -0.25 0.10 0.07 0.50 0.00 0.00 0.00 178.15 178.57 3mfi h LYS 479 N 0.50 0.18 -0.30 2.37 1.63 -1.05 -1.74 116.57 118.17 3mfi h LYS 479 Ca 0.14 -0.01 -0.08 0.00 -0.85 0.00 0.00 60.65 59.84 3mfi h LYS 479 Cb -0.04 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.54 3mfi h LYS 479 CO -0.03 0.12 -0.14 0.74 -3.45 0.00 0.00 179.45 176.69 3mfi h PHE 480 N 0.19 0.72 -0.08 1.91 0.04 -0.65 -0.92 116.94 118.14 3mfi h PHE 480 Ca 0.16 -0.18 -0.11 0.00 2.80 0.00 0.00 57.97 60.65 3mfi h PHE 480 Cb 0.17 -0.17 -0.01 0.00 2.20 0.00 0.00 35.95 38.15 3mfi h PHE 480 CO -0.18 0.85 -0.43 -0.39 -0.60 0.00 0.00 178.31 177.56 3mfi h VAL 481 N 0.38 1.32 -0.27 -0.55 -1.51 -1.02 -0.37 116.25 114.23 3mfi h VAL 481 Ca 0.07 -1.55 -0.18 0.00 -1.23 0.00 0.00 66.70 63.81 3mfi h VAL 481 Cb 0.66 1.74 -0.00 0.00 -2.13 0.00 0.00 31.29 31.56 3mfi h VAL 481 CO 0.04 0.46 -0.54 0.71 -1.23 0.00 0.00 177.57 177.01 3mfi h THR 482 N 0.15 1.28 -0.34 7.19 1.35 -1.25 -1.49 112.91 119.81 3mfi h THR 482 Ca 0.01 -1.74 0.05 0.00 -0.55 0.00 0.00 66.41 64.18 3mfi h THR 482 Cb 0.82 1.65 -0.05 0.00 -1.73 0.00 0.00 68.15 68.85 3mfi h THR 482 CO 0.06 0.56 0.05 -0.78 -0.25 0.00 0.00 175.52 175.16 3mfi h ASP 483 N 0.62 -0.04 -0.06 5.36 1.82 -0.80 -2.49 116.42 120.84 3mfi h ASP 483 Ca 0.01 0.06 -0.12 0.00 -0.39 0.00 0.00 57.03 56.60 3mfi h ASP 483 Cb 1.14 0.10 -0.01 0.00 0.68 0.00 0.00 39.33 41.23 3mfi h ASP 483 CO 0.12 0.02 -0.36 -0.07 -1.61 0.00 0.00 179.24 177.34 3mfi h LEU 484 N 0.16 0.58 -0.84 2.28 3.38 -1.02 -2.34 115.31 117.50 3mfi h LEU 484 Ca 0.16 -0.24 0.04 0.00 0.09 0.00 0.00 57.88 57.94 3mfi h LEU 484 Cb 0.20 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.74 3mfi h LEU 484 CO -0.23 0.89 0.54 -0.78 0.09 0.00 0.00 178.44 178.94 3mfi h ASP 485 N 0.46 0.88 -0.52 -0.43 1.82 -1.03 0.07 116.42 117.67 3mfi h ASP 485 Ca 0.05 0.00 -0.04 0.00 -0.39 0.00 0.00 57.03 56.65 3mfi h ASP 485 Cb 0.84 -0.19 -0.02 0.00 0.68 0.00 0.00 39.33 40.64 3mfi h ASP 485 CO 0.07 0.59 0.16 0.40 -1.61 0.00 0.00 179.24 178.86 3mfi h ILE 486 N 1.02 1.23 0.00 2.25 2.04 -1.21 -2.63 117.51 120.22 3mfi h ILE 486 Ca 0.34 -0.77 -0.03 0.00 1.00 0.00 0.00 64.86 65.40 3mfi h ILE 486 Cb 0.05 0.76 -0.00 0.00 -0.74 0.00 0.00 36.82 36.88 3mfi h ILE 486 CO -0.13 0.29 -0.16 0.11 0.00 0.00 0.00 178.15 178.26 3mfi h LYS 487 N 0.71 0.00 -0.07 2.37 1.57 -0.81 -2.15 116.57 118.19 3mfi h LYS 487 Ca 0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 3mfi h LYS 487 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 3mfi h LYS 487 CO -0.01 0.16 0.00 0.41 -0.57 0.00 0.00 179.45 179.44 3mfi n GLY 488 N -1.02 -0.51 3.71 3.86 0.00 -0.07 -4.94 105.19 106.22 3mfi n GLY 488 Ca -0.02 -0.21 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 3mfi n GLY 488 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3mfi n LYS 489 N -0.35 2.69 -1.29 1.61 0.00 -0.81 -2.03 118.16 117.99 3mfi n LYS 489 Ca 0.13 0.97 -0.10 0.00 -0.00 0.00 0.00 58.31 59.31 3mfi n LYS 489 Cb 0.15 -2.81 -0.04 0.00 -0.00 0.00 0.00 35.03 32.33 3mfi n LYS 489 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 3mfi n ASN 490 N 4.07 -4.21 -4.37 -5.58 3.02 -1.26 -5.01 115.26 101.92 3mfi n ASN 490 Ca 0.16 0.25 -0.19 0.00 -0.03 0.00 0.00 54.58 54.77 3mfi n ASN 490 Cb 0.34 -2.59 -0.10 0.00 -0.61 0.00 0.00 39.78 36.81 3mfi n ASN 490 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3mfi s LYS 491 N -2.84 1.43 -0.06 3.52 1.02 -0.86 -5.09 119.74 116.86 3mfi s LYS 491 Ca 0.00 -1.71 -0.29 0.00 0.02 0.00 0.00 55.97 53.98 3mfi s LYS 491 Cb 0.00 -0.89 -0.07 0.00 -0.52 0.00 0.00 37.83 36.34 3mfi s LYS 491 CO 0.00 -0.01 2.07 0.45 -0.92 0.00 0.00 175.35 176.94 3mfi s SER 492 N -3.37 6.05 0.00 2.83 0.15 -1.26 -4.79 113.70 113.31 3mfi s SER 492 Ca 0.28 2.37 0.00 0.00 0.70 0.00 0.00 55.95 59.30 3mfi s SER 492 Cb 0.04 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.83 3mfi s SER 492 CO 0.10 -1.42 0.00 0.00 1.20 0.00 0.00 173.24 173.12 3mfi n TYR 493 N 9.19 0.00 -2.72 3.44 9.36 -1.26 -4.64 117.16 130.53 3mfi n TYR 493 Ca 0.24 0.00 -0.33 0.00 3.32 0.00 0.00 57.90 61.13 3mfi n TYR 493 Cb 0.43 0.00 -0.06 0.00 -0.63 0.00 0.00 39.34 39.08 3mfi n TYR 493 CO 0.00 0.00 0.00 0.71 0.22 0.00 0.00 176.86 177.79 3mfi s TYR 494 N 0.00 3.23 0.32 2.98 1.51 -1.26 -1.20 117.35 122.94 3mfi s TYR 494 Ca 0.00 1.59 -0.27 0.00 -1.01 0.00 0.00 57.07 57.39 3mfi s TYR 494 Cb 0.00 -2.90 -0.10 0.00 -0.11 0.00 0.00 41.96 38.85 3mfi s TYR 494 CO 0.00 -0.32 0.99 -1.25 -1.11 0.00 0.00 175.55 173.86 3mfi s PRO 495 N -3.25 4.53 0.64 -1.71 0.04 -1.26 -4.75 135.00 129.24 3mfi s PRO 495 Ca 0.63 1.45 -0.15 0.00 0.04 0.00 0.00 61.00 62.97 3mfi s PRO 495 Cb -0.11 -2.85 -0.01 0.00 0.04 0.00 0.00 34.50 31.57 3mfi s PRO 495 CO 0.16 0.21 1.08 -0.51 0.04 0.00 0.00 177.00 177.98 3mfi s LEU 496 N -2.00 3.41 0.00 -3.56 1.43 -0.37 -2.36 118.68 115.23 3mfi s LEU 496 Ca 0.50 1.89 0.14 0.00 -1.03 0.00 0.00 54.13 55.64 3mfi s LEU 496 Cb -0.22 -4.54 -0.10 0.00 0.03 0.00 0.00 46.19 41.36 3mfi s LEU 496 CO 0.28 -1.43 0.67 0.35 0.23 0.00 0.00 176.35 176.44 3mfi n THR 497 N -2.33 0.00 -3.62 5.49 -2.24 0.03 -4.62 114.28 106.99 3mfi n THR 497 Ca 0.09 -0.23 -0.13 0.00 -2.27 0.00 0.00 64.05 61.51 3mfi n THR 497 Cb 0.52 1.06 -0.07 0.00 -2.10 0.00 0.00 70.33 69.75 3mfi n THR 497 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3mfi s LYS 498 N -2.13 0.79 -0.03 -0.78 2.20 -1.17 -0.75 119.74 117.87 3mfi s LYS 498 Ca 0.08 0.85 -0.01 0.00 -0.36 0.00 0.00 55.97 56.53 3mfi s LYS 498 Cb 0.11 0.38 0.02 0.00 -1.51 0.00 0.00 37.83 36.84 3mfi s LYS 498 CO 0.50 -0.11 0.07 -1.17 -0.36 0.00 0.00 175.35 174.28 3mfi s LEU 499 N 0.20 1.21 0.01 5.43 2.96 -0.51 -1.37 118.68 126.60 3mfi s LEU 499 Ca -0.00 0.13 -0.07 0.00 -0.22 0.00 0.00 54.13 53.97 3mfi s LEU 499 Cb -0.05 0.12 -0.00 0.00 0.50 0.00 0.00 46.19 46.77 3mfi s LEU 499 CO 0.00 -0.10 0.12 -0.94 -1.32 0.00 0.00 176.35 174.11 3mfi s SER 500 N 0.77 0.06 -0.09 3.68 1.04 0.25 -1.19 113.70 118.22 3mfi s SER 500 Ca -0.06 -0.27 0.03 0.00 0.48 0.00 0.00 55.95 56.13 3mfi s SER 500 Cb -0.09 0.20 0.01 0.00 0.10 0.00 0.00 66.02 66.24 3mfi s SER 500 CO -0.03 -0.38 -0.20 -0.32 0.98 0.00 0.00 173.24 173.29 3mfi s MET 501 N -1.53 2.62 -0.08 4.02 1.75 -0.30 -1.83 119.30 123.96 3mfi s MET 501 Ca -0.14 -0.73 0.02 0.00 -1.25 0.00 0.00 55.69 53.59 3mfi s MET 501 Cb -0.07 -2.03 0.01 0.00 2.84 0.00 0.00 34.83 35.58 3mfi s MET 501 CO 0.01 0.11 -0.14 0.99 -0.65 0.00 0.00 175.02 175.35 3mfi s THR 502 N 0.49 1.28 -0.45 10.11 2.01 0.04 -0.73 115.64 128.40 3mfi s THR 502 Ca -0.16 -0.55 -0.25 0.00 0.31 0.00 0.00 61.69 61.04 3mfi s THR 502 Cb -0.17 -1.16 0.02 0.00 0.01 0.00 0.00 72.50 71.20 3mfi s THR 502 CO 0.06 0.39 0.87 -0.63 -0.69 0.00 0.00 174.62 174.63 3mfi s ILE 503 N 0.74 4.55 -0.36 1.82 1.01 0.75 -0.00 121.20 129.71 3mfi s ILE 503 Ca -0.13 0.68 0.22 0.00 0.00 0.00 0.00 60.65 61.43 3mfi s ILE 503 Cb -0.16 -4.38 -0.16 0.00 0.01 0.00 0.00 42.46 37.78 3mfi s ILE 503 CO 0.03 -0.76 0.86 0.35 0.00 0.00 0.00 174.94 175.43 3mfi n THR 504 N 6.27 0.23 -3.79 2.92 -2.24 -0.49 -1.50 114.28 115.67 3mfi n THR 504 Ca 0.05 -0.39 -0.13 0.00 -2.27 0.00 0.00 64.05 61.30 3mfi n THR 504 Cb 0.48 0.03 -0.14 0.00 -2.10 0.00 0.00 70.33 68.60 3mfi n THR 504 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 3mfi s ASN 505 N -4.44 -0.05 0.06 3.42 0.01 -1.24 -4.66 114.94 108.03 3mfi s ASN 505 Ca -0.01 0.18 0.06 0.00 -0.71 0.00 0.00 52.86 52.39 3mfi s ASN 505 Cb 0.13 0.11 -0.03 0.00 0.41 0.00 0.00 41.25 41.87 3mfi s ASN 505 CO 0.83 -0.10 -0.18 -0.36 -1.51 0.00 0.00 177.10 175.79 3mfi s PHE 506 N 0.71 1.53 -0.11 2.20 0.08 -1.26 -0.91 117.98 120.23 3mfi s PHE 506 Ca -0.06 -0.39 -0.11 0.00 0.12 0.00 0.00 56.93 56.49 3mfi s PHE 506 Cb -0.08 -0.88 -0.05 0.00 -0.57 0.00 0.00 43.02 41.45 3mfi s PHE 506 CO -0.03 0.10 0.26 -0.51 -0.10 0.00 0.00 175.22 174.93 3mfi s ASP 507 N -1.43 6.50 -0.22 1.36 1.01 0.71 -4.92 116.67 119.68 3mfi s ASP 507 Ca 0.04 0.59 0.02 0.00 0.71 0.00 0.00 52.55 53.91 3mfi s ASP 507 Cb -0.09 -2.15 0.04 0.00 1.01 0.00 0.00 42.92 41.73 3mfi s ASP 507 CO 0.02 0.28 -0.15 -0.63 0.21 0.00 0.00 175.17 174.90 3mfi s ILE 508 N -0.50 2.19 -0.25 0.77 1.01 -1.26 -0.61 121.20 122.55 3mfi s ILE 508 Ca 0.17 -1.25 -0.10 0.00 0.00 0.00 0.00 60.65 59.47 3mfi s ILE 508 Cb -0.13 -2.10 -0.05 0.00 0.01 0.00 0.00 42.46 40.19 3mfi s ILE 508 CO 0.06 0.26 0.16 -0.63 0.00 0.00 0.00 174.94 174.80 3mfi s ILE 509 N 1.21 5.30 0.31 2.92 -1.09 0.17 -4.96 121.20 125.06 3mfi s ILE 509 Ca -0.01 0.16 -0.28 0.00 -2.23 0.00 0.00 60.65 58.29 3mfi s ILE 509 Cb -0.16 -3.48 -0.09 0.00 -1.58 0.00 0.00 42.46 37.14 3mfi s ILE 509 CO -0.09 0.33 1.06 -1.81 -1.23 0.00 0.00 174.94 173.20 3mfi s ASP 510 N 1.22 7.18 0.00 3.58 1.01 -1.26 -1.50 116.67 126.90 3mfi s ASP 510 Ca 0.07 2.15 0.06 0.00 0.71 0.00 0.00 52.55 55.54 3mfi s ASP 510 Cb -0.14 -2.61 0.05 0.00 1.01 0.00 0.00 42.92 41.22 3mfi s ASP 510 CO 0.06 -0.20 0.68 0.18 0.21 0.00 0.00 175.17 176.11