#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fae s SER 2 N 0.00 5.79 0.68 0.00 0.01 -1.24 -4.95 113.70 114.00 1fae s SER 2 Ca 0.00 2.23 -0.16 0.00 1.31 0.00 0.00 55.95 59.33 1fae s SER 2 Cb 0.00 -2.59 0.01 0.00 0.21 0.00 0.00 66.02 63.65 1fae s SER 2 CO 0.00 -1.18 1.21 -0.94 0.41 0.00 0.00 173.24 172.74 1fae s SER 3 N -1.64 4.55 0.45 2.44 1.04 -1.26 -4.97 113.70 114.31 1fae s SER 3 Ca 0.71 2.37 -0.25 0.00 0.48 0.00 0.00 55.95 59.26 1fae s SER 3 Cb -0.26 -2.59 -0.08 0.00 0.10 0.00 0.00 66.02 63.19 1fae s SER 3 CO 0.30 -2.03 1.32 -2.84 0.98 0.00 0.00 173.24 170.97 1fae s PRO 4 N -3.73 3.71 0.12 4.02 0.02 -1.26 -5.04 135.00 132.84 1fae s PRO 4 Ca 0.75 2.17 0.10 0.00 0.02 0.00 0.00 61.00 64.04 1fae s PRO 4 Cb -0.30 -2.58 -0.04 0.00 0.02 0.00 0.00 34.50 31.60 1fae s PRO 4 CO 0.41 -0.71 -0.20 0.00 -0.33 0.00 0.00 177.00 176.17 1fae s ALA 5 N -1.30 2.61 -0.21 -1.55 0.00 -1.26 -4.69 121.76 115.35 1fae s ALA 5 Ca 0.62 -1.39 -0.29 0.00 0.00 0.00 0.00 51.96 50.90 1fae s ALA 5 Cb -0.38 -0.58 -0.06 0.00 0.00 0.00 0.00 23.12 22.10 1fae s ALA 5 CO 0.48 0.58 2.20 -1.71 0.00 0.00 0.00 175.76 177.31 1fae n ASN 6 N 0.81 3.21 -0.28 0.00 2.85 0.16 -4.87 115.26 117.15 1fae n ASN 6 Ca -0.16 0.27 0.10 0.00 -0.11 0.00 0.00 54.58 54.68 1fae n ASN 6 Cb 0.53 -1.52 0.34 0.00 1.24 0.00 0.00 39.78 40.36 1fae n ASN 6 CO 0.00 0.00 0.00 0.50 -2.11 0.00 0.00 177.26 175.65 1fae h LYS 7 N 14.51 0.76 0.28 1.20 3.64 -1.90 -1.61 116.57 133.44 1fae h LYS 7 Ca -0.40 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 58.92 1fae h LYS 7 Cb 1.25 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 1fae h LYS 7 CO 0.96 0.50 -0.15 0.28 -2.27 0.00 0.00 179.45 178.78 1fae h VAL 8 N 0.78 0.70 0.00 2.00 2.07 -1.96 -1.32 116.25 118.51 1fae h VAL 8 Ca 0.44 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.83 1fae h VAL 8 Cb 0.58 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 1fae h VAL 8 CO -0.20 0.00 -0.59 1.88 0.02 0.00 0.00 177.57 178.69 1fae h TYR 9 N -0.39 0.00 -0.58 1.57 -1.99 -1.83 -2.81 116.97 110.94 1fae h TYR 9 Ca -0.03 0.00 -0.10 0.00 2.00 0.00 0.00 58.73 60.60 1fae h TYR 9 Cb 0.31 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.02 1fae h TYR 9 CO -0.07 0.59 -0.02 0.37 -0.00 0.00 0.00 178.16 179.03 1fae h GLN 10 N 0.00 1.03 -0.52 4.88 4.15 -1.20 -1.99 115.11 121.46 1fae h GLN 10 Ca -0.01 -0.34 -0.03 0.00 0.77 0.00 0.00 58.65 59.04 1fae h GLN 10 Cb 1.13 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 28.70 1fae h GLN 10 CO 0.08 1.03 0.19 -0.44 -1.93 0.00 0.00 178.83 177.76 1fae h ASP 11 N 0.93 0.69 -0.38 -0.69 3.32 -1.05 -1.61 116.42 117.62 1fae h ASP 11 Ca 0.16 -0.09 -0.14 0.00 0.02 0.00 0.00 57.03 56.98 1fae h ASP 11 Cb 0.58 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 1fae h ASP 11 CO 0.03 0.64 -0.31 0.03 -1.72 0.00 0.00 179.24 177.92 1fae h ARG 12 N 0.75 0.92 -0.01 3.56 3.08 -1.24 -1.08 114.38 120.35 1fae h ARG 12 Ca 0.18 -0.43 -0.00 0.00 0.07 0.00 0.00 59.98 59.79 1fae h ARG 12 Cb 0.17 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.22 1fae h ARG 12 CO -0.01 1.09 0.01 0.35 -1.07 0.00 0.00 179.97 180.33 1fae h PHE 13 N 0.77 0.02 -0.92 3.04 3.57 -1.02 -1.39 116.94 121.01 1fae h PHE 13 Ca 0.08 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.61 1fae h PHE 13 Cb 0.88 -0.01 -0.05 0.00 2.79 0.00 0.00 35.95 39.56 1fae h PHE 13 CO 0.05 0.07 0.60 0.93 -2.23 0.00 0.00 178.31 177.73 1fae h GLU 14 N -0.04 1.13 -0.31 1.11 5.08 -1.17 0.28 114.58 120.67 1fae h GLU 14 Ca 0.00 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 1fae h GLU 14 Cb 0.06 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.04 1fae h GLU 14 CO -0.00 0.75 0.06 1.03 -1.00 0.00 0.00 179.01 179.85 1fae h SER 15 N 1.17 0.49 -0.60 1.42 0.87 -1.04 -1.22 113.55 114.64 1fae h SER 15 Ca 0.36 -0.25 -0.08 0.00 -1.23 0.00 0.00 61.79 60.59 1fae h SER 15 Cb -0.02 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 61.79 1fae h SER 15 CO -0.10 0.62 0.06 0.24 -0.53 0.00 0.00 176.83 177.12 1fae h MET 16 N 0.35 1.01 -0.85 2.24 2.86 -0.67 -1.22 114.93 118.65 1fae h MET 16 Ca 0.10 -0.29 -0.00 0.00 -2.06 0.00 0.00 59.70 57.44 1fae h MET 16 Cb 0.33 -0.11 -0.04 0.00 0.06 0.00 0.00 31.60 31.84 1fae h MET 16 CO 0.00 0.97 0.51 -0.92 1.06 0.00 0.00 176.91 178.54 1fae h TYR 17 N 0.91 1.12 -0.48 -0.22 3.20 -0.32 0.52 116.97 121.69 1fae h TYR 17 Ca 0.18 -0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.95 1fae h TYR 17 Cb 0.47 -0.37 -0.02 0.00 1.54 0.00 0.00 36.73 38.36 1fae h TYR 17 CO 0.03 0.74 -0.10 0.77 -1.64 0.00 0.00 178.16 177.97 1fae h SER 18 N 1.16 0.87 -0.39 -2.11 0.02 -0.88 -1.62 113.55 110.61 1fae h SER 18 Ca 0.30 -0.27 -0.09 0.00 -0.84 0.00 0.00 61.79 60.89 1fae h SER 18 Cb -0.05 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.24 1fae h SER 18 CO -0.06 0.99 -0.13 0.11 -1.14 0.00 0.00 176.83 176.61 1fae h LYS 19 N 0.79 0.77 -0.61 3.45 1.57 -0.54 -1.48 116.57 120.53 1fae h LYS 19 Ca 0.13 -0.31 -0.09 0.00 -1.87 0.00 0.00 60.65 58.51 1fae h LYS 19 Cb 0.61 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.86 1fae h LYS 19 CO 0.04 0.92 0.04 0.82 -0.57 0.00 0.00 179.45 180.71 1fae h ILE 20 N 0.58 1.26 -0.00 1.86 2.04 -0.78 -2.99 117.51 119.48 1fae h ILE 20 Ca 0.09 -1.09 0.00 0.00 1.00 0.00 0.00 64.86 64.87 1fae h ILE 20 Cb 0.66 0.74 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 1fae h ILE 20 CO 0.04 0.40 -0.22 0.29 0.00 0.00 0.00 178.15 178.66 1fae n LYS 21 N -4.20 0.56 -1.79 2.37 4.76 -0.62 -4.58 118.16 114.66 1fae n LYS 21 Ca 0.03 -0.26 -0.43 0.00 -2.87 0.00 0.00 58.31 54.78 1fae n LYS 21 Cb 0.32 -1.49 -0.03 0.00 -1.84 0.00 0.00 35.03 31.99 1fae n LYS 21 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1fae s ASP 22 N -2.62 6.01 0.62 4.39 -1.08 -0.56 -4.87 116.67 118.56 1fae s ASP 22 Ca 0.23 1.99 0.33 0.00 -0.52 0.00 0.00 52.55 54.58 1fae s ASP 22 Cb 0.19 -2.52 1.89 0.00 -1.46 0.00 0.00 42.92 41.02 1fae s ASP 22 CO 0.54 -1.50 2.17 1.55 0.52 0.00 0.00 175.17 178.45 1fae h PRO 23 N 12.48 0.00 0.00 4.34 0.13 -1.90 0.52 132.00 147.58 1fae h PRO 23 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1fae h PRO 23 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1fae h PRO 23 CO 0.97 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.74 1fae h ALA 24 N 1.80 1.00 0.00 -0.56 0.00 -1.95 -3.11 119.26 116.45 1fae h ALA 24 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1fae h ALA 24 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1fae h ALA 24 CO -0.00 0.00 -0.59 -0.91 0.00 0.00 0.00 179.25 177.75 1fae h ASN 25 N 0.00 0.00 -1.93 0.00 2.35 -1.18 -3.49 115.58 111.33 1fae h ASN 25 Ca 0.00 -0.05 -0.23 0.00 -0.55 0.00 0.00 56.30 55.47 1fae h ASN 25 Cb 0.59 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.96 1fae h ASN 25 CO 0.00 0.02 -0.31 0.61 -1.65 0.00 0.00 177.43 176.10 1fae n GLY 26 N 1.20 -0.09 0.19 2.83 0.00 -1.18 -4.94 105.19 103.21 1fae n GLY 26 Ca 0.02 -0.36 0.07 0.00 0.00 0.00 0.00 46.02 45.75 1fae n GLY 26 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1fae h TYR 27 N -0.19 0.00 -2.90 1.61 -1.99 -1.82 -3.44 116.97 108.25 1fae h TYR 27 Ca -0.28 0.00 -0.62 0.00 2.00 0.00 0.00 58.73 59.82 1fae h TYR 27 Cb 1.21 0.00 -0.14 0.00 2.00 0.00 0.00 36.73 39.79 1fae h TYR 27 CO 0.31 0.29 -0.74 -0.06 -0.00 0.00 0.00 178.16 177.96 1fae s PHE 28 N -3.26 2.55 0.83 4.88 0.40 -1.26 -1.30 117.98 120.82 1fae s PHE 28 Ca 0.03 -0.25 -0.11 0.00 -0.60 0.00 0.00 56.93 56.00 1fae s PHE 28 Cb 0.08 -1.23 0.13 0.00 0.51 0.00 0.00 43.02 42.51 1fae s PHE 28 CO 0.69 0.54 1.17 -1.54 0.70 0.00 0.00 175.22 176.77 1fae s SER 29 N -2.93 3.98 0.58 1.36 1.04 0.24 -4.91 113.70 113.04 1fae s SER 29 Ca 0.25 0.31 0.35 0.00 0.48 0.00 0.00 55.95 57.35 1fae s SER 29 Cb -0.08 -0.64 1.70 0.00 0.10 0.00 0.00 66.02 67.10 1fae s SER 29 CO 0.15 -2.17 2.12 1.05 0.98 0.00 0.00 173.24 175.36 1fae h GLU 30 N -1.11 0.00 -0.01 4.02 4.11 -1.98 -1.72 114.58 117.89 1fae h GLU 30 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.00 1fae h GLU 30 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 1fae h GLU 30 CO 0.49 0.04 -0.02 1.04 0.07 0.00 0.00 179.01 180.63 1fae n GLN 31 N -3.22 1.37 -0.59 1.06 6.02 -1.26 -4.92 117.38 115.84 1fae n GLN 31 Ca -0.01 -0.62 0.00 0.00 -0.01 0.00 0.00 57.00 56.36 1fae n GLN 31 Cb 0.22 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.00 1fae n GLN 31 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1fae n GLY 32 N 1.14 0.66 3.69 1.08 0.00 -0.65 -5.05 105.19 106.06 1fae n GLY 32 Ca 0.20 -0.45 -0.37 0.00 0.00 0.00 0.00 46.02 45.40 1fae n GLY 32 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1fae s ILE 33 N -2.00 5.29 0.26 -0.61 1.01 -1.26 -4.82 121.20 119.07 1fae s ILE 33 Ca 0.00 0.49 -0.30 0.00 0.00 0.00 0.00 60.65 60.85 1fae s ILE 33 Cb 0.00 -3.62 -0.09 0.00 0.01 0.00 0.00 42.46 38.75 1fae s ILE 33 CO 0.00 0.33 1.10 -2.16 0.00 0.00 0.00 174.94 174.22 1fae s PRO 34 N 0.89 4.63 0.63 2.79 0.04 -1.26 -0.60 135.00 142.13 1fae s PRO 34 Ca 0.15 1.80 -0.08 0.00 0.04 0.00 0.00 61.00 62.90 1fae s PRO 34 Cb -0.14 -3.20 0.01 0.00 0.04 0.00 0.00 34.50 31.21 1fae s PRO 34 CO 0.05 0.19 0.98 0.71 0.04 0.00 0.00 177.00 178.96 1fae s TYR 35 N -1.00 3.27 0.20 0.56 4.12 -0.42 -4.64 117.35 119.43 1fae s TYR 35 Ca 0.45 0.79 -0.10 0.00 0.02 0.00 0.00 57.07 58.23 1fae s TYR 35 Cb -0.32 -2.87 0.13 0.00 -1.52 0.00 0.00 41.96 37.38 1fae s TYR 35 CO 0.40 -0.97 1.77 1.25 0.02 0.00 0.00 175.55 178.03 1fae h HIS 36 N -0.36 1.06 -3.22 2.71 -0.00 -1.16 -3.39 115.15 110.78 1fae h HIS 36 Ca -0.45 -0.07 -0.07 0.00 -0.00 0.00 0.00 60.37 59.78 1fae h HIS 36 Cb 1.26 -0.32 -0.15 0.00 -0.00 0.00 0.00 27.41 28.19 1fae h HIS 36 CO 0.48 0.80 -0.11 -1.54 -0.00 0.00 0.00 177.93 177.56 1fae s SER 37 N -6.19 -0.24 0.12 3.26 1.04 -1.09 -1.01 113.70 109.59 1fae s SER 37 Ca -0.13 -0.16 -0.17 0.00 0.48 0.00 0.00 55.95 55.97 1fae s SER 37 Cb 0.14 0.44 -0.03 0.00 0.10 0.00 0.00 66.02 66.67 1fae s SER 37 CO 0.81 -0.74 1.63 0.40 0.98 0.00 0.00 173.24 176.33 1fae h ILE 38 N 2.76 1.21 -3.77 -1.02 2.04 -1.70 -3.42 117.51 113.62 1fae h ILE 38 Ca -0.32 -0.69 -0.52 0.00 1.00 0.00 0.00 64.86 64.33 1fae h ILE 38 Cb 1.22 1.02 0.04 0.00 -0.74 0.00 0.00 36.82 38.37 1fae h ILE 38 CO 0.45 0.24 0.59 -1.61 0.00 0.00 0.00 178.15 177.82 1fae s GLU 39 N -5.37 4.45 0.00 2.37 8.01 -1.26 -4.93 118.70 121.97 1fae s GLU 39 Ca -0.13 2.05 0.04 0.00 0.01 0.00 0.00 54.97 56.94 1fae s GLU 39 Cb 0.09 -3.13 -0.25 0.00 -4.31 0.00 0.00 34.13 26.53 1fae s GLU 39 CO 0.75 -0.07 0.84 1.79 0.01 0.00 0.00 175.26 178.58 1fae h THR 40 N 3.18 1.13 -0.90 3.63 1.35 -1.90 -3.38 112.91 116.01 1fae h THR 40 Ca -0.47 -2.86 -0.51 0.00 -0.55 0.00 0.00 66.41 62.01 1fae h THR 40 Cb 1.22 2.65 -0.08 0.00 -1.73 0.00 0.00 68.15 70.21 1fae h THR 40 CO 0.68 0.75 1.41 -0.22 -0.25 0.00 0.00 175.52 177.89 1fae s LEU 41 N -6.64 3.44 -0.11 3.87 2.96 -1.26 -0.96 118.68 119.98 1fae s LEU 41 Ca -0.07 -1.48 -0.04 0.00 -0.22 0.00 0.00 54.13 52.33 1fae s LEU 41 Cb 0.08 -2.57 0.06 0.00 0.50 0.00 0.00 46.19 44.25 1fae s LEU 41 CO 0.83 -1.90 0.21 -0.32 -1.32 0.00 0.00 176.35 173.85 1fae s MET 42 N 5.47 0.09 -0.08 1.98 -2.45 -1.26 -4.90 119.30 118.15 1fae s MET 42 Ca 0.56 0.63 -0.02 0.00 -1.25 0.00 0.00 55.69 55.61 1fae s MET 42 Cb -0.01 -0.21 0.03 0.00 1.25 0.00 0.00 34.83 35.90 1fae s MET 42 CO -0.02 -0.31 0.01 0.08 1.05 0.00 0.00 175.02 175.83 1fae s VAL 43 N 2.35 0.32 0.00 10.11 1.01 -1.26 -1.67 120.40 131.27 1fae s VAL 43 Ca 0.02 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.11 1fae s VAL 43 Cb -0.12 -0.53 0.00 0.00 0.00 0.00 0.00 36.38 35.73 1fae s VAL 43 CO -0.07 0.21 0.00 -1.84 0.00 0.00 0.00 175.10 173.40 1fae n GLU 44 N 5.16 0.00 0.03 2.72 0.28 -1.26 -5.01 120.64 122.57 1fae n GLU 44 Ca -0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.93 1fae n GLU 44 Cb 0.50 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.37 1fae n GLU 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1fae n ALA 45 N -1.69 3.00 -1.80 -1.84 0.00 -1.26 -4.87 120.51 112.04 1fae n ALA 45 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 1fae n ALA 45 Cb 0.00 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.53 1fae n ALA 45 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1fae s PRO 46 N -1.23 2.28 -0.12 0.00 0.04 -1.26 -4.88 135.00 129.84 1fae s PRO 46 Ca 0.00 0.36 0.15 0.00 0.04 0.00 0.00 61.00 61.54 1fae s PRO 46 Cb 0.00 -1.96 0.37 0.00 0.04 0.00 0.00 34.50 32.94 1fae s PRO 46 CO 0.00 -1.42 1.27 -0.40 0.04 0.00 0.00 177.00 176.49 1fae n ASP 47 N -3.25 3.07 -3.69 6.66 5.68 -1.26 -4.36 116.55 119.40 1fae n ASP 47 Ca 0.07 -2.77 -0.12 0.00 -0.50 0.00 0.00 54.79 51.47 1fae n ASP 47 Cb 0.58 -0.40 -0.09 0.00 -1.14 0.00 0.00 41.12 40.07 1fae n ASP 47 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 1fae s TYR 48 N -2.36 -0.62 0.39 2.11 5.04 -0.67 -4.63 117.35 116.61 1fae s TYR 48 Ca 0.32 1.41 0.05 0.00 -2.44 0.00 0.00 57.07 56.41 1fae s TYR 48 Cb 0.25 0.25 0.78 0.00 0.35 0.00 0.00 41.96 43.59 1fae s TYR 48 CO 0.07 -0.31 2.03 0.78 -1.34 0.00 0.00 175.55 176.78 1fae h GLY 49 N 5.96 0.67 -2.80 8.97 0.00 -1.12 -3.06 103.07 111.69 1fae h GLY 49 Ca -0.30 -0.26 -0.07 0.00 0.00 0.00 0.00 47.33 46.70 1fae h GLY 49 CO 0.21 0.25 0.09 1.42 0.00 0.00 0.00 176.54 178.52 1fae n HIS 50 N -4.45 1.49 -3.46 5.60 8.25 -1.26 -2.64 115.22 118.75 1fae n HIS 50 Ca 0.04 -0.67 -0.24 0.00 -0.26 0.00 0.00 57.72 56.59 1fae n HIS 50 Cb 0.06 -0.44 -0.02 0.00 1.12 0.00 0.00 29.99 30.71 1fae n HIS 50 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 1fae s VAL 51 N -2.14 5.12 0.40 1.59 -7.23 -1.16 -3.62 120.40 113.36 1fae s VAL 51 Ca 0.36 -0.47 0.07 0.00 -1.81 0.00 0.00 61.98 60.12 1fae s VAL 51 Cb 0.28 -3.84 -0.08 0.00 0.56 0.00 0.00 36.38 33.30 1fae s VAL 51 CO 0.10 -0.49 0.00 0.28 -0.31 0.00 0.00 175.10 174.68 1fae s THR 52 N -2.23 1.96 0.20 5.32 -1.32 0.62 -2.03 115.64 118.16 1fae s THR 52 Ca 0.39 -2.02 0.03 0.00 -1.21 0.00 0.00 61.69 58.88 1fae s THR 52 Cb -0.10 -2.94 -0.05 0.00 -1.51 0.00 0.00 72.50 67.90 1fae s THR 52 CO 0.34 -0.02 -0.01 0.42 -2.21 0.00 0.00 174.62 173.14 1fae s THR 53 N -2.74 0.89 0.34 5.08 -4.23 -1.26 -0.93 115.64 112.79 1fae s THR 53 Ca 0.35 -2.01 0.27 0.00 -1.18 0.00 0.00 61.69 59.12 1fae s THR 53 Cb 0.09 -2.19 0.29 0.00 1.34 0.00 0.00 72.50 72.03 1fae s THR 53 CO 0.18 -0.44 2.02 0.77 -0.54 0.00 0.00 174.62 176.60 1fae h SER 54 N 2.61 0.00 -0.27 3.99 4.64 -1.29 -2.18 113.55 121.06 1fae h SER 54 Ca -0.37 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.94 1fae h SER 54 Cb 1.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 1fae h SER 54 CO 0.63 0.14 0.13 -0.08 -0.87 0.00 0.00 176.83 176.79 1fae h GLU 55 N 0.00 0.38 -0.66 4.77 4.81 -1.91 -0.93 114.58 121.04 1fae h GLU 55 Ca -0.00 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 1fae h GLU 55 Cb 0.43 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.71 1fae h GLU 55 CO 0.02 0.36 0.39 0.00 -0.73 0.00 0.00 179.01 179.04 1fae h ALA 56 N 1.00 0.84 -0.83 2.92 0.00 -1.79 -2.04 119.26 119.35 1fae h ALA 56 Ca 0.09 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1fae h ALA 56 Cb 0.10 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 1fae h ALA 56 CO -0.01 0.33 0.49 0.52 0.00 0.00 0.00 179.25 180.58 1fae h MET 57 N 0.90 1.14 0.00 0.00 2.86 -1.18 -0.75 114.93 117.90 1fae h MET 57 Ca 0.24 -0.11 -0.07 0.00 -2.06 0.00 0.00 59.70 57.70 1fae h MET 57 Cb -0.00 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 31.41 1fae h MET 57 CO -0.04 0.81 -0.32 0.66 1.06 0.00 0.00 176.91 179.08 1fae h SER 58 N 1.15 0.00 0.83 1.22 4.64 -0.70 -1.36 113.55 119.33 1fae h SER 58 Ca 0.30 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.43 1fae h SER 58 Cb -0.02 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.05 1fae h SER 58 CO -0.05 0.32 -0.90 1.88 -0.87 0.00 0.00 176.83 177.21 1fae h TYR 59 N 0.00 0.07 -0.61 4.77 -1.99 -0.81 -2.45 116.97 115.94 1fae h TYR 59 Ca -0.00 -0.04 -0.07 0.00 2.00 0.00 0.00 58.73 60.62 1fae h TYR 59 Cb 0.65 -0.01 -0.02 0.00 2.00 0.00 0.00 36.73 39.34 1fae h TYR 59 CO 0.00 0.92 0.12 -0.92 -0.00 0.00 0.00 178.16 178.28 1fae h TYR 60 N 0.02 1.06 -0.24 4.88 3.20 -0.40 -0.73 116.97 124.76 1fae h TYR 60 Ca -0.02 -0.14 -0.02 0.00 3.14 0.00 0.00 58.73 61.69 1fae h TYR 60 Cb 1.58 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 39.54 1fae h TYR 60 CO 0.01 0.90 0.06 0.52 -1.64 0.00 0.00 178.16 178.01 1fae h MET 61 N 0.91 0.37 -0.58 1.82 2.86 -1.20 -1.56 114.93 117.56 1fae h MET 61 Ca 0.19 -0.09 0.01 0.00 -2.06 0.00 0.00 59.70 57.75 1fae h MET 61 Cb 0.40 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.97 1fae h MET 61 CO 0.01 0.47 0.38 2.35 1.06 0.00 0.00 176.91 181.18 1fae h TRP 62 N 0.21 0.72 -0.07 -0.22 2.91 -1.28 -0.38 115.95 117.85 1fae h TRP 62 Ca 0.08 0.02 0.01 0.00 1.13 0.00 0.00 58.89 60.12 1fae h TRP 62 Cb 0.26 -0.24 -0.01 0.00 -0.51 0.00 0.00 29.16 28.66 1fae h TRP 62 CO 0.01 0.45 0.02 1.25 -1.03 0.00 0.00 178.44 179.14 1fae h LEU 63 N 0.77 0.03 -1.21 0.65 5.85 -0.97 -2.15 115.31 118.27 1fae h LEU 63 Ca 0.22 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.86 1fae h LEU 63 Cb -0.07 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 1fae h LEU 63 CO -0.05 0.03 -0.31 -0.33 -0.34 0.00 0.00 178.44 177.43 1fae h GLU 64 N 0.06 0.14 -0.01 1.25 4.39 -1.02 -1.85 114.58 117.53 1fae h GLU 64 Ca 0.03 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.68 1fae h GLU 64 Cb 0.01 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1fae h GLU 64 CO -0.03 0.45 0.00 0.00 -1.16 0.00 0.00 179.01 178.27 1fae h ALA 65 N 1.56 0.01 -0.51 3.43 0.00 -0.88 -1.00 119.26 121.88 1fae h ALA 65 Ca 0.02 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1fae h ALA 65 Cb 0.62 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 1fae h ALA 65 CO 0.04 -0.40 0.28 1.98 0.00 0.00 0.00 179.25 181.16 1fae h MET 66 N -0.15 0.69 -0.44 0.00 1.85 -1.21 -1.73 114.93 113.94 1fae h MET 66 Ca 0.00 -0.06 -0.13 0.00 -0.61 0.00 0.00 59.70 58.89 1fae h MET 66 Cb 0.17 -0.14 -0.01 0.00 0.43 0.00 0.00 31.60 32.04 1fae h MET 66 CO -0.00 0.51 -0.26 1.25 -0.40 0.00 0.00 176.91 178.01 1fae h HIS 67 N 0.70 1.07 -0.32 1.39 6.17 -1.08 -2.68 115.15 120.41 1fae h HIS 67 Ca 0.18 -0.27 -0.04 0.00 0.71 0.00 0.00 60.37 60.96 1fae h HIS 67 Cb 0.01 -0.25 -0.02 0.00 2.52 0.00 0.00 27.41 29.68 1fae h HIS 67 CO 0.00 1.07 0.05 0.78 0.71 0.00 0.00 177.93 180.55 1fae h GLY 68 N 0.88 0.51 1.16 5.26 0.00 -0.35 0.38 103.07 110.92 1fae h GLY 68 Ca 0.10 -0.27 -0.02 0.00 0.00 0.00 0.00 47.33 47.14 1fae h GLY 68 CO 0.07 0.26 0.42 -0.09 0.00 0.00 0.00 176.54 177.20 1fae h ARG 69 N 0.47 1.10 0.00 4.80 9.65 -1.03 0.16 114.38 129.52 1fae h ARG 69 Ca 0.11 -0.13 -0.25 0.00 -1.10 0.00 0.00 59.98 58.61 1fae h ARG 69 Cb 0.23 -0.21 -0.05 0.00 -1.39 0.00 0.00 29.97 28.55 1fae h ARG 69 CO 0.00 0.81 -1.78 1.19 2.80 0.00 0.00 179.97 182.99 1fae n PHE 70 N -4.34 0.71 0.38 2.20 0.99 -0.97 -4.46 117.46 111.98 1fae n PHE 70 Ca 0.08 0.25 0.09 0.00 -0.00 0.00 0.00 57.45 57.87 1fae n PHE 70 Cb 0.11 -1.08 -0.12 0.00 -1.00 0.00 0.00 39.48 37.39 1fae n PHE 70 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 1fae n SER 71 N -2.88 0.85 0.00 4.37 3.41 0.08 -4.97 113.62 114.48 1fae n SER 71 Ca -0.18 -0.43 0.00 0.00 -0.26 0.00 0.00 58.87 58.00 1fae n SER 71 Cb 0.98 1.44 0.00 0.00 -0.26 0.00 0.00 64.21 66.37 1fae n SER 71 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1fae n GLY 72 N 1.45 1.05 3.47 5.00 0.00 0.54 -4.99 105.19 111.71 1fae n GLY 72 Ca -0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1fae n GLY 72 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1fae s ASP 73 N -3.00 5.49 0.00 1.61 2.15 -1.25 -4.95 116.67 116.73 1fae s ASP 73 Ca 0.00 -0.31 0.12 0.00 0.43 0.00 0.00 52.55 52.79 1fae s ASP 73 Cb 0.00 -2.00 0.25 0.00 -0.30 0.00 0.00 42.92 40.87 1fae s ASP 73 CO 0.00 -0.11 1.13 0.49 -0.17 0.00 0.00 175.17 176.51 1fae n PHE 74 N 4.98 0.32 0.27 -5.34 3.01 -1.26 -3.59 117.46 115.85 1fae n PHE 74 Ca -0.15 -0.32 0.13 0.00 1.01 0.00 0.00 57.45 58.12 1fae n PHE 74 Cb 0.51 -0.02 0.75 0.00 -0.01 0.00 0.00 39.48 40.71 1fae n PHE 74 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 1fae h THR 75 N 2.23 0.59 -0.12 4.37 1.35 -1.95 -1.69 112.91 117.68 1fae h THR 75 Ca 0.00 -0.43 -0.17 0.00 -0.55 0.00 0.00 66.41 65.25 1fae h THR 75 Cb 0.66 1.28 -0.01 0.00 -1.73 0.00 0.00 68.15 68.35 1fae h THR 75 CO 0.00 0.10 -0.65 1.23 -0.25 0.00 0.00 175.52 175.95 1fae h GLY 76 N 0.67 0.50 0.81 5.82 0.00 -1.91 -1.24 103.07 107.72 1fae h GLY 76 Ca -0.00 -0.65 -0.04 0.00 0.00 0.00 0.00 47.33 46.64 1fae h GLY 76 CO 0.01 0.58 -0.02 -2.75 0.00 0.00 0.00 176.54 174.36 1fae h PHE 77 N 0.33 0.41 -0.68 5.60 3.57 -1.55 -1.63 116.94 122.99 1fae h PHE 77 Ca -0.02 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.41 1fae h PHE 77 Cb 1.21 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.81 1fae h PHE 77 CO 0.04 0.59 0.44 -0.44 -2.23 0.00 0.00 178.31 176.71 1fae h ASP 78 N 0.12 0.79 -0.41 0.41 3.32 -1.33 -2.07 116.42 117.25 1fae h ASP 78 Ca 0.06 -0.03 -0.08 0.00 0.02 0.00 0.00 57.03 57.00 1fae h ASP 78 Cb 0.44 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 1fae h ASP 78 CO 0.01 0.59 -0.03 0.50 -1.72 0.00 0.00 179.24 178.59 1fae h LYS 79 N 0.93 0.83 -0.38 3.56 1.63 -1.00 -1.60 116.57 120.54 1fae h LYS 79 Ca 0.25 -0.25 -0.04 0.00 -0.85 0.00 0.00 60.65 59.76 1fae h LYS 79 Cb -0.09 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 31.44 1fae h LYS 79 CO -0.05 0.85 0.06 0.66 -3.45 0.00 0.00 179.45 177.53 1fae h SER 80 N 0.77 0.53 0.22 4.20 4.64 -0.59 -1.09 113.55 122.24 1fae h SER 80 Ca 0.14 -0.09 -0.19 0.00 -0.47 0.00 0.00 61.79 61.19 1fae h SER 80 Cb 0.51 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1fae h SER 80 CO 0.03 0.56 -0.73 -0.50 -0.87 0.00 0.00 176.83 175.31 1fae h TRP 81 N 0.56 0.59 -0.34 4.77 4.06 -1.19 -2.45 115.95 121.95 1fae h TRP 81 Ca 0.13 -0.26 -0.04 0.00 2.06 0.00 0.00 58.89 60.78 1fae h TRP 81 Cb 0.26 -0.09 -0.01 0.00 -1.00 0.00 0.00 29.16 28.32 1fae h TRP 81 CO 0.01 1.02 0.06 0.77 -3.56 0.00 0.00 178.44 176.74 1fae h SER 82 N 0.30 0.54 -0.81 -3.49 0.02 -0.68 -1.75 113.55 107.68 1fae h SER 82 Ca -0.03 -0.25 -0.03 0.00 -0.84 0.00 0.00 61.79 60.63 1fae h SER 82 Cb 1.31 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 63.67 1fae h SER 82 CO 0.13 0.66 0.38 0.58 -1.14 0.00 0.00 176.83 177.43 1fae h VAL 83 N 0.40 1.26 0.09 2.27 2.07 -1.23 -1.07 116.25 120.03 1fae h VAL 83 Ca 0.10 -0.73 -0.00 0.00 0.82 0.00 0.00 66.70 66.89 1fae h VAL 83 Cb 0.34 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.35 1fae h VAL 83 CO 0.01 0.31 -0.04 0.74 0.02 0.00 0.00 177.57 178.60 1fae h THR 84 N 1.16 0.92 -0.63 2.57 2.02 -1.26 -0.51 112.91 117.17 1fae h THR 84 Ca 0.28 -0.04 -0.07 0.00 0.77 0.00 0.00 66.41 67.35 1fae h THR 84 Cb 0.14 0.94 -0.03 0.00 -1.74 0.00 0.00 68.15 67.46 1fae h THR 84 CO -0.03 0.01 0.11 -0.08 0.37 0.00 0.00 175.52 175.90 1fae h GLU 85 N -0.14 1.02 -0.28 6.66 4.81 -1.19 0.20 114.58 125.65 1fae h GLU 85 Ca -0.01 -0.25 -0.16 0.00 -0.13 0.00 0.00 59.36 58.80 1fae h GLU 85 Cb 0.11 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 1fae h GLU 85 CO 0.02 0.93 -0.47 0.37 -0.73 0.00 0.00 179.01 179.13 1fae h GLN 86 N 0.96 0.74 0.00 1.92 4.15 -1.05 -3.36 115.11 118.46 1fae h GLN 86 Ca 0.19 -0.42 -0.00 0.00 0.77 0.00 0.00 58.65 59.19 1fae h GLN 86 Cb 0.40 0.03 -0.00 0.00 0.21 0.00 0.00 27.48 28.12 1fae h GLN 86 CO 0.01 1.05 -1.16 0.66 -1.93 0.00 0.00 178.83 177.45 1fae n TYR 87 N -4.01 0.00 -0.01 3.99 4.02 -0.21 -4.81 117.16 116.12 1fae n TYR 87 Ca -0.03 0.00 0.04 0.00 -0.01 0.00 0.00 57.90 57.90 1fae n TYR 87 Cb 0.57 -0.08 -0.09 0.00 -0.02 0.00 0.00 39.34 39.72 1fae n TYR 87 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1fae n LEU 88 N -1.63 0.00 -4.48 7.72 7.99 0.64 -4.90 117.00 122.34 1fae n LEU 88 Ca -0.01 0.00 -0.41 0.00 -0.01 0.00 0.00 56.01 55.59 1fae n LEU 88 Cb 0.10 0.04 -0.11 0.00 -0.11 0.00 0.00 43.42 43.35 1fae n LEU 88 CO 0.07 0.04 -0.13 -0.63 -1.51 0.00 0.00 177.39 175.24 1fae s ILE 89 N -2.71 5.06 0.02 -0.08 1.01 -0.92 -0.59 121.20 122.99 1fae s ILE 89 Ca -0.04 -0.42 -0.36 0.00 0.00 0.00 0.00 60.65 59.82 1fae s ILE 89 Cb 0.07 -3.67 -0.15 0.00 0.01 0.00 0.00 42.46 38.72 1fae s ILE 89 CO 0.47 -0.08 1.53 -2.65 0.00 0.00 0.00 174.94 174.21 1fae n PRO 90 N 5.08 1.51 -1.53 2.79 -0.02 -1.26 -4.75 135.00 136.82 1fae n PRO 90 Ca -0.12 0.55 -0.25 0.00 -2.02 0.00 0.00 63.50 61.66 1fae n PRO 90 Cb 0.49 -2.25 0.18 0.00 -0.02 0.00 0.00 33.50 31.89 1fae n PRO 90 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1fae n THR 91 N 3.39 0.00 -0.24 3.45 -2.24 -1.26 -4.70 114.28 112.68 1fae n THR 91 Ca 0.20 -0.78 0.06 0.00 -2.27 0.00 0.00 64.05 61.26 1fae n THR 91 Cb 0.21 -1.55 0.31 0.00 -2.10 0.00 0.00 70.33 67.21 1fae n THR 91 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1fae h GLU 92 N 0.00 0.83 -0.04 -0.78 3.07 -1.93 -0.39 114.58 115.35 1fae h GLU 92 Ca -0.36 -0.05 -0.13 0.00 -0.50 0.00 0.00 59.36 58.32 1fae h GLU 92 Cb 1.00 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 28.71 1fae h GLU 92 CO 0.25 0.55 -0.56 0.87 -1.40 0.00 0.00 179.01 178.73 1fae h LYS 93 N 0.86 0.11 0.02 2.33 1.57 -2.00 -2.90 116.57 116.56 1fae h LYS 93 Ca 0.36 -0.07 -0.24 0.00 -1.87 0.00 0.00 60.65 58.83 1fae h LYS 93 Cb 0.28 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 1fae h LYS 93 CO -0.13 0.64 -1.21 -0.44 -0.57 0.00 0.00 179.45 177.73 1fae h ASP 94 N 0.09 0.05 -2.06 0.86 3.32 -1.57 -3.39 116.42 113.72 1fae h ASP 94 Ca -0.00 -0.07 -0.57 0.00 0.02 0.00 0.00 57.03 56.41 1fae h ASP 94 Cb 1.01 -0.02 -0.40 0.00 0.22 0.00 0.00 39.33 40.14 1fae h ASP 94 CO 0.08 1.05 -0.95 0.00 -1.72 0.00 0.00 179.24 177.70 1fae n GLN 95 N -3.30 1.29 -1.56 3.56 10.64 -0.27 -4.90 117.38 122.84 1fae n GLN 95 Ca -0.06 -3.68 -0.63 0.00 -1.83 0.00 0.00 57.00 50.80 1fae n GLN 95 Cb 0.98 -1.55 -0.10 0.00 -0.86 0.00 0.00 30.24 28.71 1fae n GLN 95 CO 0.00 0.00 0.00 -2.30 -1.83 0.00 0.00 177.06 172.93 1fae n PRO 96 N 1.19 0.00 0.32 2.61 -0.02 -1.09 -4.74 135.00 133.26 1fae n PRO 96 Ca 0.24 0.00 0.19 0.00 -2.02 0.00 0.00 63.50 61.91 1fae n PRO 96 Cb 0.50 -1.44 1.07 0.00 -0.02 0.00 0.00 33.50 33.60 1fae n PRO 96 CO 0.00 0.00 0.00 -0.97 1.98 0.00 0.00 175.50 176.51 1fae h ASN 97 N 5.74 0.00 -0.87 2.55 -1.24 -1.95 -0.88 115.58 118.93 1fae h ASN 97 Ca -0.34 0.00 0.04 0.00 0.71 0.00 0.00 56.30 56.71 1fae h ASN 97 Cb 1.33 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 40.32 1fae h ASN 97 CO 0.97 0.00 0.56 0.71 -1.29 0.00 0.00 177.43 178.38 1fae h THR 98 N 0.00 1.13 0.19 -3.57 1.35 -1.95 0.13 112.91 110.19 1fae h THR 98 Ca 0.00 -0.37 -0.26 0.00 -0.55 0.00 0.00 66.41 65.23 1fae h THR 98 Cb 0.05 -0.05 0.03 0.00 -1.73 0.00 0.00 68.15 66.45 1fae h THR 98 CO -0.00 0.20 -1.17 0.28 -0.25 0.00 0.00 175.52 174.57 1fae h SER 99 N 1.08 0.61 -0.37 5.36 0.02 -1.50 -3.35 113.55 115.40 1fae h SER 99 Ca 0.35 -0.93 -0.00 0.00 -0.84 0.00 0.00 61.79 60.37 1fae h SER 99 Cb 0.02 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.34 1fae h SER 99 CO -0.12 1.56 0.23 0.24 -1.14 0.00 0.00 176.83 177.60 1fae h MET 100 N -0.15 0.52 0.00 3.45 2.07 -1.10 -1.83 114.93 117.90 1fae h MET 100 Ca -0.21 -0.04 0.00 0.00 -2.07 0.00 0.00 59.70 57.38 1fae h MET 100 Cb 1.88 -0.11 0.00 0.00 -1.87 0.00 0.00 31.60 31.50 1fae h MET 100 CO 0.19 0.36 0.00 -1.13 1.07 0.00 0.00 176.91 177.40 1fae n SER 101 N -4.46 0.00 -0.86 1.22 3.41 0.43 -2.24 113.62 111.13 1fae n SER 101 Ca 0.03 0.41 0.09 0.00 -0.26 0.00 0.00 58.87 59.14 1fae n SER 101 Cb 0.08 -0.46 0.25 0.00 -0.26 0.00 0.00 64.21 63.81 1fae n SER 101 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1fae n ARG 102 N -1.46 2.09 -1.88 4.33 5.12 -0.69 -4.94 116.66 119.23 1fae n ARG 102 Ca 0.05 -1.68 -0.41 0.00 -1.93 0.00 0.00 57.85 53.89 1fae n ARG 102 Cb 0.21 -1.40 -0.01 0.00 -1.16 0.00 0.00 32.46 30.11 1fae n ARG 102 CO 0.00 0.00 0.00 -0.47 -1.93 0.00 0.00 177.63 175.23 1fae s TYR 103 N -1.46 2.69 -0.33 -1.55 5.04 -0.95 -4.49 117.35 116.30 1fae s TYR 103 Ca 0.33 1.23 -0.01 0.00 -2.44 0.00 0.00 57.07 56.18 1fae s TYR 103 Cb 0.18 -3.94 0.07 0.00 0.35 0.00 0.00 41.96 38.62 1fae s TYR 103 CO 0.24 -2.72 0.04 0.34 -1.34 0.00 0.00 175.55 172.12 1fae s ASP 104 N -0.25 4.94 0.38 4.32 2.15 -1.26 -4.99 116.67 121.96 1fae s ASP 104 Ca 0.52 -1.54 0.27 0.00 0.43 0.00 0.00 52.55 52.23 1fae s ASP 104 Cb -0.45 -1.72 1.36 0.00 -0.30 0.00 0.00 42.92 41.81 1fae s ASP 104 CO 0.60 -0.33 1.81 0.00 -0.17 0.00 0.00 175.17 177.08 1fae h ALA 105 N 7.96 1.00 -0.00 3.66 0.00 -1.94 -1.55 119.26 128.39 1fae h ALA 105 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1fae h ALA 105 Cb 1.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1fae h ALA 105 CO 0.56 0.00 -0.58 0.09 0.00 0.00 0.00 179.25 179.32 1fae n ASN 106 N -2.44 0.61 -3.06 0.00 3.02 -1.26 -0.83 115.26 111.29 1fae n ASN 106 Ca -0.01 -0.41 -0.19 0.00 -0.03 0.00 0.00 54.58 53.95 1fae n ASN 106 Cb 0.10 0.38 -0.04 0.00 -0.61 0.00 0.00 39.78 39.61 1fae n ASN 106 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1fae n LYS 107 N -1.47 0.65 -0.33 3.52 0.00 -0.61 -4.64 118.16 115.27 1fae n LYS 107 Ca 0.05 -2.72 0.06 0.00 0.00 0.00 0.00 58.31 55.71 1fae n LYS 107 Cb 0.34 -1.36 0.22 0.00 0.00 0.00 0.00 35.03 34.23 1fae n LYS 107 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.40 176.05 1fae h PRO 108 N 4.29 0.85 -3.16 1.64 0.11 -1.68 -3.41 132.00 130.63 1fae h PRO 108 Ca 0.04 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 66.04 1fae h PRO 108 Cb 0.94 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.85 1fae h PRO 108 CO 0.38 0.56 0.21 0.00 -0.21 0.00 0.00 178.00 178.94 1fae s ALA 109 N -5.97 -0.54 -0.14 -0.75 0.00 -1.26 -2.19 121.76 110.91 1fae s ALA 109 Ca -0.12 -0.85 -0.03 0.00 0.00 0.00 0.00 51.96 50.96 1fae s ALA 109 Cb 0.22 0.75 -0.03 0.00 0.00 0.00 0.00 23.12 24.06 1fae s ALA 109 CO 0.80 -0.96 -0.05 0.99 0.00 0.00 0.00 175.76 176.54 1fae s THR 110 N -2.46 3.81 0.44 0.00 2.01 -1.26 -4.91 115.64 113.27 1fae s THR 110 Ca 0.17 -0.40 -0.25 0.00 0.31 0.00 0.00 61.69 61.53 1fae s THR 110 Cb -0.04 -2.65 -0.08 0.00 0.01 0.00 0.00 72.50 69.74 1fae s THR 110 CO 0.13 0.52 1.36 -0.47 -0.69 0.00 0.00 174.62 175.47 1fae s TYR 111 N 0.14 2.61 -0.12 4.92 5.04 -1.26 -4.85 117.35 123.82 1fae s TYR 111 Ca -0.02 1.34 -0.09 0.00 -2.44 0.00 0.00 57.07 55.86 1fae s TYR 111 Cb -0.14 -3.79 0.04 0.00 0.35 0.00 0.00 41.96 38.42 1fae s TYR 111 CO 0.03 -2.55 0.31 0.00 -1.34 0.00 0.00 175.55 172.00 1fae s ALA 112 N -1.24 -0.77 0.73 3.97 0.00 -1.26 -1.00 121.76 122.18 1fae s ALA 112 Ca 0.60 1.05 -0.11 0.00 0.00 0.00 0.00 51.96 53.50 1fae s ALA 112 Cb -0.41 -0.63 0.03 0.00 0.00 0.00 0.00 23.12 22.11 1fae s ALA 112 CO 0.52 -0.19 1.07 -1.25 0.00 0.00 0.00 175.76 175.92 1fae s PRO 113 N 0.73 2.68 0.03 0.00 0.04 -1.26 -5.01 135.00 132.21 1fae s PRO 113 Ca -0.05 0.92 0.03 0.00 0.04 0.00 0.00 61.00 61.94 1fae s PRO 113 Cb -0.06 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.48 1fae s PRO 113 CO -0.05 -1.27 -0.00 -1.21 0.04 0.00 0.00 177.00 174.51 1fae s GLU 114 N -5.05 2.71 0.21 4.56 2.02 -0.98 -4.84 118.70 117.34 1fae s GLU 114 Ca 0.59 -0.69 0.10 0.00 0.02 0.00 0.00 54.97 55.00 1fae s GLU 114 Cb -0.14 -2.62 -0.05 0.00 0.10 0.00 0.00 34.13 31.42 1fae s GLU 114 CO 0.55 0.60 -0.20 -0.06 0.02 0.00 0.00 175.26 176.16 1fae s PHE 115 N -1.16 2.11 -2.14 1.61 0.40 -1.26 -4.60 117.98 112.94 1fae s PHE 115 Ca 0.22 -0.40 0.16 0.00 -0.60 0.00 0.00 56.93 56.30 1fae s PHE 115 Cb -0.12 -0.99 0.61 0.00 0.51 0.00 0.00 43.02 43.03 1fae s PHE 115 CO 0.13 0.51 1.44 1.04 0.70 0.00 0.00 175.22 179.04 1fae n GLN 116 N -0.08 1.61 -3.72 0.44 3.00 -1.26 -4.23 117.38 113.14 1fae n GLN 116 Ca -0.10 -0.93 -0.12 0.00 -0.01 0.00 0.00 57.00 55.85 1fae n GLN 116 Cb 0.58 -1.32 -0.12 0.00 0.00 0.00 0.00 30.24 29.39 1fae n GLN 116 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 1fae s ASP 117 N -1.36 -0.39 0.66 1.08 2.15 -1.26 -4.35 116.67 113.20 1fae s ASP 117 Ca 0.27 0.71 0.38 0.00 0.43 0.00 0.00 52.55 54.34 1fae s ASP 117 Cb 0.14 0.61 2.09 0.00 -0.30 0.00 0.00 42.92 45.47 1fae s ASP 117 CO 0.21 -0.17 2.20 -0.65 -0.17 0.00 0.00 175.17 176.59 1fae h PRO 118 N 6.88 0.00 0.00 4.34 0.11 -1.87 -2.11 132.00 139.35 1fae h PRO 118 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1fae h PRO 118 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1fae h PRO 118 CO 0.33 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 178.78 1fae h SER 119 N 0.00 0.00 0.40 -2.05 4.64 -1.95 -2.61 113.55 111.98 1fae h SER 119 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1fae h SER 119 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 1fae h SER 119 CO -0.00 0.00 -0.08 0.29 -0.87 0.00 0.00 176.83 176.17 1fae n LYS 120 N -2.41 0.63 -3.28 4.77 5.02 -0.79 -4.86 118.16 117.23 1fae n LYS 120 Ca 0.02 -0.16 -0.29 0.00 -2.02 0.00 0.00 58.31 55.86 1fae n LYS 120 Cb 0.24 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.72 1fae n LYS 120 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1fae s TYR 121 N -2.48 3.47 0.43 2.13 1.51 -0.99 -4.44 117.35 116.98 1fae s TYR 121 Ca 0.30 0.74 -0.26 0.00 -1.01 0.00 0.00 57.07 56.83 1fae s TYR 121 Cb 0.20 -2.18 -0.09 0.00 -0.11 0.00 0.00 41.96 39.79 1fae s TYR 121 CO 0.47 0.15 1.44 -1.25 -1.11 0.00 0.00 175.55 175.25 1fae s PRO 122 N -3.47 3.80 -0.01 -1.71 0.04 -1.15 -4.78 135.00 127.72 1fae s PRO 122 Ca 0.45 2.46 -0.26 0.00 0.04 0.00 0.00 61.00 63.69 1fae s PRO 122 Cb -0.11 -2.74 -0.04 0.00 0.04 0.00 0.00 34.50 31.65 1fae s PRO 122 CO 0.29 -0.74 0.82 0.45 0.04 0.00 0.00 177.00 177.86 1fae s SER 123 N -0.41 7.18 -0.02 6.66 0.15 -0.43 -4.68 113.70 122.17 1fae s SER 123 Ca 0.59 1.43 -0.27 0.00 0.70 0.00 0.00 55.95 58.40 1fae s SER 123 Cb -0.44 -2.48 -0.04 0.00 -1.71 0.00 0.00 66.02 61.34 1fae s SER 123 CO 0.58 -0.14 0.85 -2.16 1.20 0.00 0.00 173.24 173.57 1fae s PRO 124 N 0.67 4.51 0.39 5.44 0.04 -1.26 -0.92 135.00 143.87 1fae s PRO 124 Ca 0.43 1.17 -0.26 0.00 0.04 0.00 0.00 61.00 62.38 1fae s PRO 124 Cb -0.20 -3.44 -0.09 0.00 0.04 0.00 0.00 34.50 30.82 1fae s PRO 124 CO 0.23 0.04 1.22 -0.51 0.04 0.00 0.00 177.00 178.02 1fae s LEU 125 N 0.76 4.25 -0.26 -3.56 1.43 -0.55 -4.34 118.68 116.42 1fae s LEU 125 Ca 0.45 2.48 -0.03 0.00 -1.03 0.00 0.00 54.13 56.00 1fae s LEU 125 Cb -0.20 -3.91 0.09 0.00 0.03 0.00 0.00 46.19 42.19 1fae s LEU 125 CO 0.24 -0.68 0.09 -0.62 0.23 0.00 0.00 176.35 175.61 1fae s ASP 126 N -0.92 3.44 0.16 2.29 3.68 -0.17 -4.94 116.67 120.21 1fae s ASP 126 Ca 0.55 -1.22 0.20 0.00 2.13 0.00 0.00 52.55 54.20 1fae s ASP 126 Cb -0.34 -0.60 0.83 0.00 -1.45 0.00 0.00 42.92 41.36 1fae s ASP 126 CO 0.44 -0.39 1.60 0.35 0.13 0.00 0.00 175.17 177.30 1fae n THR 127 N 5.05 0.92 0.51 1.71 -2.24 -1.26 -2.74 114.28 116.23 1fae n THR 127 Ca -0.06 0.26 0.12 0.00 -2.27 0.00 0.00 64.05 62.10 1fae n THR 127 Cb 0.44 -1.12 0.23 0.00 -2.10 0.00 0.00 70.33 67.78 1fae n THR 127 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1fae h SER 128 N 0.00 0.00 -3.53 3.42 4.64 -1.96 -3.45 113.55 112.66 1fae h SER 128 Ca 0.00 -0.10 -0.52 0.00 -0.47 0.00 0.00 61.79 60.70 1fae h SER 128 Cb 0.30 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.38 1fae h SER 128 CO 0.00 0.05 0.42 -1.10 -0.87 0.00 0.00 176.83 175.33 1fae s GLN 129 N -3.17 4.64 0.46 4.77 -1.52 -1.11 -4.99 119.66 118.74 1fae s GLN 129 Ca 0.07 1.57 -0.25 0.00 -1.95 0.00 0.00 55.36 54.80 1fae s GLN 129 Cb 0.12 -3.34 -0.08 0.00 -0.22 0.00 0.00 33.01 29.49 1fae s GLN 129 CO 0.68 0.12 1.42 -1.25 -0.25 0.00 0.00 175.29 176.02 1fae s PRO 130 N -0.03 3.64 -0.05 2.91 0.04 -1.26 -4.71 135.00 135.54 1fae s PRO 130 Ca 0.49 2.41 0.01 0.00 0.04 0.00 0.00 61.00 63.94 1fae s PRO 130 Cb -0.26 -2.62 0.02 0.00 0.04 0.00 0.00 34.50 31.68 1fae s PRO 130 CO 0.32 -0.85 -0.04 0.08 0.04 0.00 0.00 177.00 176.55 1fae s VAL 131 N -1.21 0.50 0.36 -0.36 1.01 -1.26 -4.87 120.40 114.56 1fae s VAL 131 Ca 0.62 -0.07 -0.06 0.00 0.00 0.00 0.00 61.98 62.46 1fae s VAL 131 Cb -0.43 -0.55 0.09 0.00 0.00 0.00 0.00 36.38 35.48 1fae s VAL 131 CO 0.56 0.23 0.38 0.61 0.00 0.00 0.00 175.10 176.87 1fae n GLY 132 N 4.25 -2.04 3.68 4.51 0.00 -0.64 -4.78 105.19 110.16 1fae n GLY 132 Ca -0.22 -1.55 -0.30 0.00 0.00 0.00 0.00 46.02 43.95 1fae n GLY 132 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1fae s ARG 133 N -3.84 2.52 -0.45 1.61 1.70 -1.05 -4.40 118.95 115.04 1fae s ARG 133 Ca 0.23 -0.85 -0.24 0.00 -0.47 0.00 0.00 55.73 54.40 1fae s ARG 133 Cb -0.02 -2.53 0.02 0.00 -0.57 0.00 0.00 34.95 31.86 1fae s ARG 133 CO 0.17 0.54 0.86 0.34 -1.08 0.00 0.00 175.30 176.13 1fae s ASP 134 N -2.29 6.48 0.14 -2.89 3.68 -0.01 -3.90 116.67 117.87 1fae s ASP 134 Ca 0.25 0.06 0.25 0.00 2.13 0.00 0.00 52.55 55.25 1fae s ASP 134 Cb -0.12 -2.42 0.56 0.00 -1.45 0.00 0.00 42.92 39.49 1fae s ASP 134 CO 0.18 -0.97 1.52 -0.81 0.13 0.00 0.00 175.17 175.22 1fae n PRO 135 N 6.93 0.25 -0.00 4.34 -0.04 -1.26 -4.21 135.00 141.01 1fae n PRO 135 Ca 0.04 0.12 0.10 0.00 -0.04 0.00 0.00 63.50 63.73 1fae n PRO 135 Cb 0.48 -1.71 -0.12 0.00 -0.04 0.00 0.00 33.50 32.12 1fae n PRO 135 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1fae n ILE 136 N -2.10 0.01 -0.22 0.52 -5.35 -1.26 -4.50 119.36 106.45 1fae n ILE 136 Ca 0.04 -0.12 -0.05 0.00 -0.27 0.00 0.00 62.75 62.35 1fae n ILE 136 Cb 0.43 0.72 0.06 0.00 -1.74 0.00 0.00 39.64 39.11 1fae n ILE 136 CO 0.00 0.00 0.00 -1.13 -1.76 0.00 0.00 176.55 173.66 1fae h ASN 137 N 0.00 0.64 0.27 7.28 -1.24 -1.99 -1.58 115.58 118.96 1fae h ASN 137 Ca 0.00 -0.00 -0.04 0.00 0.71 0.00 0.00 56.30 56.97 1fae h ASN 137 Cb 0.62 -0.14 -0.01 0.00 0.73 0.00 0.00 38.32 39.53 1fae h ASN 137 CO 0.00 0.45 -0.20 0.77 -1.29 0.00 0.00 177.43 177.16 1fae h SER 138 N 0.77 0.00 -0.34 1.15 4.64 -1.85 -0.94 113.55 116.97 1fae h SER 138 Ca 0.24 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.44 1fae h SER 138 Cb -0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1fae h SER 138 CO -0.09 0.20 -0.26 1.56 -0.87 0.00 0.00 176.83 177.37 1fae h GLN 139 N 0.00 0.78 -0.20 4.77 4.20 -1.55 -2.66 115.11 120.45 1fae h GLN 139 Ca -0.00 -0.38 -0.15 0.00 0.06 0.00 0.00 58.65 58.18 1fae h GLN 139 Cb 0.39 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.17 1fae h GLN 139 CO 0.03 1.00 -0.46 -0.07 -0.67 0.00 0.00 178.83 178.66 1fae h LEU 140 N 0.56 0.74 -0.86 1.46 3.38 -0.70 -2.32 115.31 117.57 1fae h LEU 140 Ca 0.07 -0.56 -0.11 0.00 0.09 0.00 0.00 57.88 57.36 1fae h LEU 140 Cb 0.82 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1fae h LEU 140 CO 0.07 1.17 -0.32 0.71 0.09 0.00 0.00 178.44 180.16 1fae h THR 141 N 0.35 1.28 -0.43 0.22 1.35 -1.27 -1.19 112.91 113.22 1fae h THR 141 Ca -0.00 -1.39 -0.14 0.00 -0.55 0.00 0.00 66.41 64.33 1fae h THR 141 Cb 1.07 1.45 -0.01 0.00 -1.73 0.00 0.00 68.15 68.93 1fae h THR 141 CO 0.10 0.44 -0.26 -1.28 -0.25 0.00 0.00 175.52 174.26 1fae h SER 142 N 0.41 0.97 0.42 5.36 0.87 -1.50 0.19 113.55 120.27 1fae h SER 142 Ca 0.05 -0.42 -0.25 0.00 -1.23 0.00 0.00 61.79 59.94 1fae h SER 142 Cb 0.76 -0.27 0.01 0.00 -0.44 0.00 0.00 62.40 62.45 1fae h SER 142 CO 0.06 1.19 -1.07 0.00 -0.53 0.00 0.00 176.83 176.47 1fae h ALA 143 N 0.82 0.24 0.00 6.23 0.00 -1.26 -3.37 119.26 121.92 1fae h ALA 143 Ca 0.09 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 54.22 1fae h ALA 143 Cb 0.85 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1fae h ALA 143 CO 0.07 0.86 -1.28 0.66 0.00 0.00 0.00 179.25 179.56 1fae n TYR 144 N -3.68 0.00 -1.68 0.00 4.02 -0.46 -4.98 117.16 110.37 1fae n TYR 144 Ca -0.08 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.73 1fae n TYR 144 Cb 0.91 -0.19 -0.02 0.00 -0.02 0.00 0.00 39.34 40.02 1fae n TYR 144 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1fae n GLY 145 N 1.46 0.54 3.31 2.72 0.00 0.66 -5.02 105.19 108.86 1fae n GLY 145 Ca 0.00 -0.61 -0.10 0.00 0.00 0.00 0.00 46.02 45.31 1fae n GLY 145 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1fae s THR 146 N -2.35 0.08 -1.51 2.61 -1.32 -1.25 -5.05 115.64 106.86 1fae s THR 146 Ca 0.00 -0.79 0.22 0.00 -1.21 0.00 0.00 61.69 59.92 1fae s THR 146 Cb 0.00 -1.29 -0.08 0.00 -1.51 0.00 0.00 72.50 69.61 1fae s THR 146 CO 0.00 -0.37 1.06 -1.20 -2.21 0.00 0.00 174.62 171.90 1fae n SER 147 N -0.20 1.43 -4.77 8.08 7.64 -1.26 -4.23 113.62 120.30 1fae n SER 147 Ca -0.15 -1.17 -0.36 0.00 1.01 0.00 0.00 58.87 58.20 1fae n SER 147 Cb 0.63 0.66 -0.01 0.00 -1.01 0.00 0.00 64.21 64.49 1fae n SER 147 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1fae s MET 148 N -2.74 3.67 -0.01 1.43 -1.94 -1.26 -4.81 119.30 113.64 1fae s MET 148 Ca 0.14 1.67 -0.12 0.00 -1.71 0.00 0.00 55.69 55.67 1fae s MET 148 Cb 0.17 -2.27 -0.05 0.00 2.01 0.00 0.00 34.83 34.69 1fae s MET 148 CO 0.70 -0.60 0.35 -0.51 -0.01 0.00 0.00 175.02 174.96 1fae s LEU 149 N -3.27 4.43 -0.77 -0.03 1.43 -1.26 -5.04 118.68 114.18 1fae s LEU 149 Ca 0.66 0.83 -0.06 0.00 -1.03 0.00 0.00 54.13 54.52 1fae s LEU 149 Cb -0.26 -2.58 0.20 0.00 0.03 0.00 0.00 46.19 43.59 1fae s LEU 149 CO 0.31 0.31 0.64 -0.47 0.23 0.00 0.00 176.35 177.37 1fae s TYR 150 N -1.14 3.65 0.14 0.29 5.04 -1.26 -4.83 117.35 119.24 1fae s TYR 150 Ca 0.24 -2.57 -0.16 0.00 -2.44 0.00 0.00 57.07 52.14 1fae s TYR 150 Cb -0.15 -3.43 0.03 0.00 0.35 0.00 0.00 41.96 38.76 1fae s TYR 150 CO 0.13 -0.87 0.42 0.20 -1.34 0.00 0.00 175.55 174.09 1fae s GLY 151 N 0.99 -0.23 0.04 8.97 0.00 -1.26 -4.29 107.32 111.53 1fae s GLY 151 Ca 0.20 -0.09 -0.24 0.00 0.00 0.00 0.00 44.72 44.60 1fae s GLY 151 CO -0.07 -0.30 0.71 1.06 0.00 0.00 0.00 173.10 174.50 1fae s MET 152 N -3.82 4.44 0.35 2.90 -1.94 -1.26 -4.44 119.30 115.54 1fae s MET 152 Ca 0.04 0.97 -0.26 0.00 -1.71 0.00 0.00 55.69 54.73 1fae s MET 152 Cb 0.01 -3.35 -0.09 0.00 2.01 0.00 0.00 34.83 33.41 1fae s MET 152 CO -0.10 0.33 1.06 -1.58 -0.01 0.00 0.00 175.02 174.71 1fae s HIS 153 N -0.16 3.40 0.07 -0.03 2.46 0.24 -4.27 115.29 117.00 1fae s HIS 153 Ca 0.36 1.67 0.15 0.00 0.47 0.00 0.00 55.06 57.72 1fae s HIS 153 Cb -0.20 -3.17 0.33 0.00 -0.13 0.00 0.00 32.58 29.42 1fae s HIS 153 CO 0.21 -0.55 1.57 0.11 -2.47 0.00 0.00 174.74 173.61 1fae h TRP 154 N 2.98 0.00 -3.92 3.88 5.08 -1.52 -3.39 115.95 119.05 1fae h TRP 154 Ca -0.48 0.00 -0.32 0.00 1.08 0.00 0.00 58.89 59.18 1fae h TRP 154 Cb 1.21 0.00 -0.27 0.00 -3.00 0.00 0.00 29.16 27.10 1fae h TRP 154 CO 0.58 0.53 -0.75 -1.50 -1.28 0.00 0.00 178.44 176.02 1fae s ILE 155 N -3.28 0.45 -0.03 0.12 2.07 -1.26 -1.04 121.20 118.22 1fae s ILE 155 Ca 0.01 -0.40 0.00 0.00 -1.41 0.00 0.00 60.65 58.85 1fae s ILE 155 Cb 0.10 -0.41 0.03 0.00 0.13 0.00 0.00 42.46 42.31 1fae s ILE 155 CO 0.73 0.02 0.02 -0.22 -1.91 0.00 0.00 174.94 173.58 1fae s LEU 156 N -0.42 1.08 -1.14 8.50 2.96 -0.11 -3.89 118.68 125.67 1fae s LEU 156 Ca -0.00 0.01 -0.18 0.00 -0.22 0.00 0.00 54.13 53.73 1fae s LEU 156 Cb -0.04 -0.15 0.10 0.00 0.50 0.00 0.00 46.19 46.61 1fae s LEU 156 CO -0.00 -0.12 1.47 -0.62 -1.32 0.00 0.00 176.35 175.76 1fae s ASP 157 N 1.09 6.78 0.27 3.68 2.15 0.81 -0.28 116.67 131.17 1fae s ASP 157 Ca -0.09 -2.29 -0.03 0.00 0.43 0.00 0.00 52.55 50.57 1fae s ASP 157 Cb -0.13 -2.49 0.56 0.00 -0.30 0.00 0.00 42.92 40.55 1fae s ASP 157 CO -0.02 -1.11 1.63 0.58 -0.17 0.00 0.00 175.17 176.07 1fae h VAL 158 N 5.66 0.29 -0.49 1.11 2.07 -1.81 0.06 116.25 123.13 1fae h VAL 158 Ca 0.30 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.78 1fae h VAL 158 Cb 0.93 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 1fae h VAL 158 CO 1.32 0.02 0.00 0.47 0.02 0.00 0.00 177.57 179.41 1fae n ASP 159 N -5.33 3.88 -3.44 0.57 8.00 -1.26 -3.99 116.55 114.98 1fae n ASP 159 Ca 0.17 -2.33 -0.20 0.00 0.71 0.00 0.00 54.79 53.14 1fae n ASP 159 Cb 0.57 -0.44 0.08 0.00 -0.02 0.00 0.00 41.12 41.31 1fae n ASP 159 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1fae n ASN 160 N 0.72 -4.21 -0.06 -2.24 5.15 -0.96 -4.92 115.26 108.74 1fae n ASN 160 Ca 0.20 -0.56 -0.03 0.00 -0.60 0.00 0.00 54.58 53.58 1fae n ASN 160 Cb 0.70 -4.97 0.20 0.00 -0.53 0.00 0.00 39.78 35.18 1fae n ASN 160 CO 0.00 0.00 0.00 -0.25 1.40 0.00 0.00 177.26 178.41 1fae h TRP 161 N -2.26 0.72 0.00 1.20 7.01 -1.93 -2.46 115.95 118.23 1fae h TRP 161 Ca -0.56 -0.10 0.00 0.00 2.11 0.00 0.00 58.89 60.33 1fae h TRP 161 Cb 1.35 -0.20 0.00 0.00 -2.10 0.00 0.00 29.16 28.21 1fae h TRP 161 CO 0.46 0.71 0.00 1.88 -2.79 0.00 0.00 178.44 178.70 1fae h TYR 162 N 0.63 0.00 0.00 2.65 -1.99 -1.94 -3.48 116.97 112.84 1fae h TYR 162 Ca 0.12 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.85 1fae h TYR 162 Cb 0.46 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.19 1fae h TYR 162 CO 0.02 0.00 0.00 0.41 -0.00 0.00 0.00 178.16 178.59 1fae n GLY 163 N 0.90 0.54 0.17 3.88 0.00 -0.93 -4.35 105.19 105.41 1fae n GLY 163 Ca 0.03 -0.35 0.05 0.00 0.00 0.00 0.00 46.02 45.76 1fae n GLY 163 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1fae h PHE 164 N 0.00 0.00 -0.76 1.61 -1.00 -1.84 -3.39 116.94 111.56 1fae h PHE 164 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1fae h PHE 164 Cb 0.00 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.56 1fae h PHE 164 CO 0.00 0.38 0.00 0.41 -1.61 0.00 0.00 178.31 177.49 1fae n GLY 165 N 0.83 -0.66 3.57 -1.45 0.00 -1.26 -1.82 105.19 104.39 1fae n GLY 165 Ca 0.01 -1.10 -0.35 0.00 0.00 0.00 0.00 46.02 44.58 1fae n GLY 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fae s ALA 166 N -1.55 3.31 -1.41 4.61 0.00 -1.25 -4.41 121.76 121.06 1fae s ALA 166 Ca 0.00 -0.87 -0.02 0.00 0.00 0.00 0.00 51.96 51.07 1fae s ALA 166 Cb 0.00 -1.96 0.01 0.00 0.00 0.00 0.00 23.12 21.18 1fae s ALA 166 CO 0.00 -0.03 0.50 0.54 0.00 0.00 0.00 175.76 176.76 1fae n ARG 167 N 3.99 -3.59 -1.42 0.00 1.74 -1.26 -2.14 116.66 113.98 1fae n ARG 167 Ca -0.16 0.44 -0.13 0.00 -0.77 0.00 0.00 57.85 57.23 1fae n ARG 167 Cb 0.52 -4.69 -0.05 0.00 -1.02 0.00 0.00 32.46 27.22 1fae n ARG 167 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1fae n ALA 168 N -4.39 -0.20 0.90 7.54 0.00 -1.26 -4.92 120.51 118.17 1fae n ALA 168 Ca -0.28 0.20 0.12 0.00 0.00 0.00 0.00 53.44 53.49 1fae n ALA 168 Cb 0.67 -1.45 0.31 0.00 0.00 0.00 0.00 19.45 18.99 1fae n ALA 168 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1fae n ASP 169 N -0.05 0.45 0.00 0.00 5.68 -0.91 -4.94 116.55 116.78 1fae n ASP 169 Ca -0.13 0.01 0.00 0.00 -0.50 0.00 0.00 54.79 54.17 1fae n ASP 169 Cb 0.42 0.05 0.00 0.00 -1.14 0.00 0.00 41.12 40.45 1fae n ASP 169 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1fae n GLY 170 N 1.46 0.18 0.01 6.12 0.00 -0.76 -4.67 105.19 107.53 1fae n GLY 170 Ca 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.07 1fae n GLY 170 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1fae n THR 171 N -2.00 0.10 -1.93 2.61 5.66 -1.26 -4.19 114.28 113.27 1fae n THR 171 Ca 0.00 -0.06 -0.31 0.00 -3.05 0.00 0.00 64.05 60.62 1fae n THR 171 Cb 0.00 -0.79 0.01 0.00 -1.55 0.00 0.00 70.33 68.00 1fae n THR 171 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1fae s SER 172 N -3.08 6.11 0.01 1.09 0.01 -1.26 -4.93 113.70 111.65 1fae s SER 172 Ca -0.01 1.51 0.03 0.00 1.31 0.00 0.00 55.95 58.79 1fae s SER 172 Cb 0.01 -2.49 -0.01 0.00 0.21 0.00 0.00 66.02 63.74 1fae s SER 172 CO 0.07 -0.95 -0.08 -1.59 0.41 0.00 0.00 173.24 171.10 1fae s LYS 173 N -4.87 0.63 0.90 12.44 -2.85 -1.26 -3.88 119.74 120.86 1fae s LYS 173 Ca 0.57 -0.44 -0.14 0.00 -1.00 0.00 0.00 55.97 54.96 1fae s LYS 173 Cb -0.12 -0.57 0.14 0.00 -2.06 0.00 0.00 37.83 35.22 1fae s LYS 173 CO 0.49 0.15 1.20 -2.14 0.10 0.00 0.00 175.35 175.14 1fae s PRO 174 N -0.62 1.19 -0.12 1.78 0.02 -1.26 -5.03 135.00 130.96 1fae s PRO 174 Ca -0.00 0.02 0.01 0.00 0.02 0.00 0.00 61.00 61.05 1fae s PRO 174 Cb -0.05 -1.87 0.02 0.00 0.02 0.00 0.00 34.50 32.62 1fae s PRO 174 CO 0.00 -2.11 -0.13 0.45 -0.33 0.00 0.00 177.00 174.88 1fae s SER 175 N -4.45 2.44 -0.10 2.53 0.15 -0.03 -4.49 113.70 109.75 1fae s SER 175 Ca 0.66 -0.41 -0.30 0.00 0.70 0.00 0.00 55.95 56.60 1fae s SER 175 Cb -0.10 -1.05 -0.03 0.00 -1.71 0.00 0.00 66.02 63.13 1fae s SER 175 CO 0.52 -0.05 1.35 -0.31 1.20 0.00 0.00 173.24 175.94 1fae s TYR 176 N 1.37 2.75 0.20 3.44 1.51 -1.26 -0.13 117.35 125.22 1fae s TYR 176 Ca 0.01 0.86 0.01 0.00 -1.01 0.00 0.00 57.07 56.94 1fae s TYR 176 Cb -0.13 -3.59 -0.05 0.00 -0.11 0.00 0.00 41.96 38.08 1fae s TYR 176 CO -0.07 -2.15 0.07 0.96 -1.11 0.00 0.00 175.55 173.24 1fae s ILE 177 N 3.20 0.40 0.07 2.71 -4.36 -1.25 -2.23 121.20 119.74 1fae s ILE 177 Ca 0.60 -1.98 -0.02 0.00 -0.26 0.00 0.00 60.65 58.99 1fae s ILE 177 Cb -0.26 -2.35 -0.03 0.00 1.25 0.00 0.00 42.46 41.07 1fae s ILE 177 CO 0.20 -0.23 0.02 0.21 0.24 0.00 0.00 174.94 175.39 1fae s ASN 178 N -3.19 0.40 0.00 4.36 3.84 -0.26 -4.59 114.94 115.49 1fae s ASN 178 Ca 0.31 -0.96 0.00 0.00 0.21 0.00 0.00 52.86 52.42 1fae s ASN 178 Cb 0.07 0.24 0.00 0.00 -0.55 0.00 0.00 41.25 41.01 1fae s ASN 178 CO 0.08 -0.64 0.00 0.35 -2.79 0.00 0.00 177.10 174.10 1fae n THR 179 N 0.05 0.00 -1.67 -5.21 -2.24 -1.26 -1.56 114.28 102.39 1fae n THR 179 Ca -0.13 0.00 -0.47 0.00 -2.27 0.00 0.00 64.05 61.18 1fae n THR 179 Cb 0.62 -0.48 -0.04 0.00 -2.10 0.00 0.00 70.33 68.32 1fae n THR 179 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1fae n PHE 180 N -1.57 2.30 -0.03 4.78 3.72 -1.26 -4.54 117.46 120.85 1fae n PHE 180 Ca 0.00 0.15 0.00 0.00 -0.05 0.00 0.00 57.45 57.55 1fae n PHE 180 Cb 0.00 -2.60 0.00 0.00 -0.94 0.00 0.00 39.48 35.94 1fae n PHE 180 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1fae n GLN 181 N 4.73 3.22 -2.11 -1.08 1.13 -1.26 -5.02 117.38 117.00 1fae n GLN 181 Ca 0.19 0.00 -0.32 0.00 -1.94 0.00 0.00 57.00 54.93 1fae n GLN 181 Cb 0.29 -0.27 0.03 0.00 0.11 0.00 0.00 30.24 30.40 1fae n GLN 181 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1fae n ARG 182 N 0.00 3.13 -0.09 -1.09 1.74 -1.26 -5.05 116.66 114.03 1fae n ARG 182 Ca 0.00 -3.98 0.01 0.00 -0.77 0.00 0.00 57.85 53.11 1fae n ARG 182 Cb 0.00 -2.26 -0.00 0.00 -1.02 0.00 0.00 32.46 29.17 1fae n ARG 182 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1fae n GLY 183 N -0.57 -2.20 0.32 -0.13 0.00 -1.26 -4.09 105.19 97.26 1fae n GLY 183 Ca 0.48 -1.49 0.14 0.00 0.00 0.00 0.00 46.02 45.14 1fae n GLY 183 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1fae h GLU 184 N 0.00 0.04 -0.11 1.61 4.11 -1.73 -1.61 114.58 116.89 1fae h GLU 184 Ca 0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1fae h GLU 184 Cb 0.08 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1fae h GLU 184 CO 0.00 0.03 0.00 1.04 0.07 0.00 0.00 179.01 180.15 1fae n GLN 185 N -4.46 1.71 -2.99 1.06 1.13 -1.26 -1.29 117.38 111.28 1fae n GLN 185 Ca 0.04 -1.06 -0.44 0.00 -1.94 0.00 0.00 57.00 53.60 1fae n GLN 185 Cb 0.35 -1.43 -0.03 0.00 0.11 0.00 0.00 30.24 29.23 1fae n GLN 185 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 1fae s GLU 186 N -1.87 3.31 1.10 -1.09 2.12 -0.61 -4.81 118.70 116.85 1fae s GLU 186 Ca 0.35 -1.44 -0.18 0.00 0.36 0.00 0.00 54.97 54.06 1fae s GLU 186 Cb 0.19 -4.51 0.25 0.00 0.26 0.00 0.00 34.13 30.32 1fae s GLU 186 CO 0.29 -1.69 1.20 -1.54 -0.54 0.00 0.00 175.26 172.99 1fae s SER 187 N 3.53 1.84 0.54 -1.70 1.04 -1.26 -4.86 113.70 112.83 1fae s SER 187 Ca 0.23 0.47 0.24 0.00 0.48 0.00 0.00 55.95 57.38 1fae s SER 187 Cb -0.14 -0.63 1.51 0.00 0.10 0.00 0.00 66.02 66.86 1fae s SER 187 CO 0.00 -3.54 2.15 0.74 0.98 0.00 0.00 173.24 173.58 1fae h THR 188 N -2.19 0.71 0.00 2.02 2.02 -1.90 -1.51 112.91 112.07 1fae h THR 188 Ca -0.45 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.51 1fae h THR 188 Cb 1.27 1.13 0.00 0.00 -1.74 0.00 0.00 68.15 68.81 1fae h THR 188 CO 0.36 0.06 0.00 0.79 0.37 0.00 0.00 175.52 177.09 1fae n TRP 189 N -3.99 0.60 -0.49 3.16 7.02 -1.26 -4.05 117.44 118.42 1fae n TRP 189 Ca -0.03 0.18 0.07 0.00 -1.02 0.00 0.00 57.50 56.70 1fae n TRP 189 Cb 0.15 -0.79 0.19 0.00 -2.42 0.00 0.00 31.31 28.43 1fae n TRP 189 CO 0.00 0.00 0.00 0.39 -2.02 0.00 0.00 177.69 176.06 1fae n GLU 190 N -2.00 2.89 -2.57 -0.99 1.02 -0.57 -4.66 120.64 113.76 1fae n GLU 190 Ca 0.06 -2.35 -0.23 0.00 -0.02 0.00 0.00 57.16 54.62 1fae n GLU 190 Cb 0.39 -1.49 0.04 0.00 -0.02 0.00 0.00 31.44 30.36 1fae n GLU 190 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1fae s THR 191 N -1.72 3.02 -0.36 2.62 -4.23 -1.24 -4.62 115.64 109.11 1fae s THR 191 Ca 0.30 -0.43 0.02 0.00 -1.18 0.00 0.00 61.69 60.40 1fae s THR 191 Cb 0.20 -3.18 0.11 0.00 1.34 0.00 0.00 72.50 70.98 1fae s THR 191 CO 0.13 -0.15 0.11 -0.63 -0.54 0.00 0.00 174.62 173.54 1fae s ILE 192 N -2.87 1.72 0.15 2.99 1.01 -1.26 -5.02 121.20 117.92 1fae s ILE 192 Ca 0.56 -2.14 -0.34 0.00 0.00 0.00 0.00 60.65 58.72 1fae s ILE 192 Cb -0.10 -2.26 -0.15 0.00 0.01 0.00 0.00 42.46 39.95 1fae s ILE 192 CO 0.41 -0.68 1.35 -2.65 0.00 0.00 0.00 174.94 173.37 1fae n PRO 193 N 4.26 1.53 -4.15 2.79 -0.02 -1.26 -4.84 135.00 133.30 1fae n PRO 193 Ca 0.03 0.55 -0.13 0.00 -2.02 0.00 0.00 63.50 61.93 1fae n PRO 193 Cb 0.40 -2.18 -0.11 0.00 -0.02 0.00 0.00 33.50 31.60 1fae n PRO 193 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 1fae s GLN 194 N 0.18 0.79 0.34 -0.52 0.00 -0.60 -5.01 119.66 114.83 1fae s GLN 194 Ca 0.77 -1.16 -0.23 0.00 -0.00 0.00 0.00 55.36 54.73 1fae s GLN 194 Cb -0.81 -0.36 -0.10 0.00 0.00 0.00 0.00 33.01 31.74 1fae s GLN 194 CO 0.47 0.03 0.91 -1.25 0.00 0.00 0.00 175.29 175.45 1fae s PRO 195 N -3.02 4.43 0.24 9.60 0.04 -1.26 -1.10 135.00 143.92 1fae s PRO 195 Ca 0.05 1.19 0.00 0.00 0.04 0.00 0.00 61.00 62.29 1fae s PRO 195 Cb -0.01 -2.63 0.26 0.00 0.04 0.00 0.00 34.50 32.16 1fae s PRO 195 CO -0.02 0.21 1.60 0.00 0.04 0.00 0.00 177.00 178.83 1fae s TRP 197 N -4.16 3.25 -0.43 0.00 -0.11 -1.26 -1.50 118.94 114.72 1fae s TRP 197 Ca -0.07 -1.08 -0.08 0.00 1.22 0.00 0.00 56.10 56.10 1fae s TRP 197 Cb 0.12 -3.45 0.10 0.00 -1.50 0.00 0.00 33.47 28.75 1fae s TRP 197 CO 0.81 -0.89 0.27 0.34 -4.62 0.00 0.00 176.95 172.86 1fae s ASP 198 N 3.04 5.55 0.00 5.86 -1.08 -0.16 -4.47 116.67 125.41 1fae s ASP 198 Ca 0.04 -1.74 0.22 0.00 -0.52 0.00 0.00 52.55 50.55 1fae s ASP 198 Cb -0.27 -1.95 0.59 0.00 -1.46 0.00 0.00 42.92 39.83 1fae s ASP 198 CO 0.05 -0.58 1.50 -0.62 0.52 0.00 0.00 175.17 176.04 1fae n GLU 199 N 4.84 2.63 -1.12 4.34 1.02 -1.26 -1.62 120.64 129.46 1fae n GLU 199 Ca -0.08 -2.51 -0.04 0.00 -0.02 0.00 0.00 57.16 54.51 1fae n GLU 199 Cb 0.42 -1.55 -0.02 0.00 -0.02 0.00 0.00 31.44 30.27 1fae n GLU 199 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1fae n HIS 200 N 1.58 0.00 0.33 -0.32 8.25 -1.26 -4.91 115.22 118.89 1fae n HIS 200 Ca 0.23 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.81 1fae n HIS 200 Cb 0.61 -1.14 0.23 0.00 1.12 0.00 0.00 29.99 30.81 1fae n HIS 200 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 1fae h LYS 201 N 0.24 0.00 -5.02 -0.41 1.79 -1.92 -3.38 116.57 107.87 1fae h LYS 201 Ca -0.09 0.00 -0.35 0.00 -2.18 0.00 0.00 60.65 58.04 1fae h LYS 201 Cb 0.38 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 30.89 1fae h LYS 201 CO 0.13 0.00 -0.67 -0.06 -1.08 0.00 0.00 179.45 177.76 1fae s PHE 202 N -3.18 1.41 0.00 -1.35 0.40 -1.26 -5.04 117.98 108.96 1fae s PHE 202 Ca 0.08 -0.90 0.00 0.00 -0.60 0.00 0.00 56.93 55.51 1fae s PHE 202 Cb 0.07 -0.79 0.00 0.00 0.51 0.00 0.00 43.02 42.81 1fae s PHE 202 CO 0.65 -0.04 0.00 0.41 0.70 0.00 0.00 175.22 176.94 1fae n GLY 203 N -0.33 1.16 0.00 4.36 0.00 -0.12 -3.87 105.19 106.40 1fae n GLY 203 Ca -0.07 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.20 1fae n GLY 203 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fae n GLY 204 N 0.00 2.49 0.37 -0.02 0.00 0.02 -1.09 105.19 106.97 1fae n GLY 204 Ca 0.00 -2.07 0.13 0.00 0.00 0.00 0.00 46.02 44.08 1fae n GLY 204 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1fae h GLN 205 N 0.00 0.49 -0.90 1.61 4.15 -1.91 -2.20 115.11 116.36 1fae h GLN 205 Ca 0.00 -0.03 -0.57 0.00 0.77 0.00 0.00 58.65 58.82 1fae h GLN 205 Cb 0.00 -0.11 -0.42 0.00 0.21 0.00 0.00 27.48 27.16 1fae h GLN 205 CO 0.00 0.33 -0.68 0.66 -1.93 0.00 0.00 178.83 177.20 1fae n TYR 206 N -4.49 2.89 -0.68 3.99 4.02 -1.26 -4.94 117.16 116.68 1fae n TYR 206 Ca 0.14 -2.41 0.00 0.00 -0.01 0.00 0.00 57.90 55.62 1fae n TYR 206 Cb 0.46 -0.38 0.00 0.00 -0.02 0.00 0.00 39.34 39.40 1fae n TYR 206 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1fae n GLY 207 N -0.69 2.46 0.34 2.72 0.00 -0.83 -2.96 105.19 106.23 1fae n GLY 207 Ca 0.44 -0.34 0.04 0.00 0.00 0.00 0.00 46.02 46.17 1fae n GLY 207 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1fae n PHE 208 N 13.34 0.07 -0.06 1.61 3.01 -1.26 -0.80 117.46 133.37 1fae n PHE 208 Ca 0.00 -0.11 -0.08 0.00 1.01 0.00 0.00 57.45 58.27 1fae n PHE 208 Cb 0.00 -0.01 -0.02 0.00 -0.01 0.00 0.00 39.48 39.44 1fae n PHE 208 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1fae h LEU 209 N 1.48 -0.21 0.00 4.37 3.38 -1.92 -2.50 115.31 119.91 1fae h LEU 209 Ca 0.00 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1fae h LEU 209 Cb 0.39 0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1fae h LEU 209 CO 0.00 -0.07 0.00 -0.90 0.09 0.00 0.00 178.44 177.56 1fae n ASP 210 N -5.21 0.00 0.05 -0.43 5.75 -1.26 -2.00 116.55 113.45 1fae n ASP 210 Ca -0.01 -1.37 -0.04 0.00 -0.01 0.00 0.00 54.79 53.36 1fae n ASP 210 Cb 0.14 0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.15 1fae n ASP 210 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 1fae h LEU 211 N 0.00 0.00 0.00 -2.12 3.38 -1.81 -3.42 115.31 111.35 1fae h LEU 211 Ca 0.00 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.81 1fae h LEU 211 Cb 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1fae h LEU 211 CO 0.00 0.81 -1.60 0.49 0.09 0.00 0.00 178.44 178.23 1fae n PHE 212 N -3.16 0.00 -4.85 1.13 3.01 -0.85 -2.95 117.46 109.79 1fae n PHE 212 Ca -0.05 0.00 -0.25 0.00 1.01 0.00 0.00 57.45 58.15 1fae n PHE 212 Cb 0.90 -0.42 -0.16 0.00 -0.01 0.00 0.00 39.48 39.80 1fae n PHE 212 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 1fae s THR 213 N -2.21 1.41 -0.12 4.37 2.01 -0.90 -1.31 115.64 118.89 1fae s THR 213 Ca -0.11 -0.75 0.01 0.00 0.31 0.00 0.00 61.69 61.16 1fae s THR 213 Cb 0.03 -1.18 -0.01 0.00 0.01 0.00 0.00 72.50 71.35 1fae s THR 213 CO 0.28 0.40 -0.15 -0.75 -0.69 0.00 0.00 174.62 173.71 1fae s LYS 214 N -0.28 3.25 0.39 4.92 2.20 -0.10 -4.15 119.74 125.97 1fae s LYS 214 Ca 0.04 -0.73 0.07 0.00 -0.36 0.00 0.00 55.97 54.99 1fae s LYS 214 Cb -0.08 -2.54 -0.08 0.00 -1.51 0.00 0.00 37.83 33.62 1fae s LYS 214 CO 0.00 0.24 0.01 0.34 -0.36 0.00 0.00 175.35 175.58 1fae s ASP 215 N 0.26 3.58 0.19 1.43 -1.08 -1.26 -1.48 116.67 118.32 1fae s ASP 215 Ca -0.11 -1.35 -0.01 0.00 -0.52 0.00 0.00 52.55 50.56 1fae s ASP 215 Cb -0.16 -0.34 0.12 0.00 -1.46 0.00 0.00 42.92 41.08 1fae s ASP 215 CO 0.06 -0.46 1.48 0.71 0.52 0.00 0.00 175.17 177.49 1fae h THR 216 N 1.86 1.36 -3.56 1.71 1.35 -2.00 -3.46 112.91 110.17 1fae h THR 216 Ca -0.43 -1.99 0.00 0.00 -0.55 0.00 0.00 66.41 63.44 1fae h THR 216 Cb 1.24 1.98 0.00 0.00 -1.73 0.00 0.00 68.15 69.64 1fae h THR 216 CO 0.78 0.60 0.00 0.61 -0.25 0.00 0.00 175.52 177.26 1fae n GLY 217 N 0.40 2.52 3.74 5.82 0.00 -1.26 -5.09 105.19 111.31 1fae n GLY 217 Ca -0.04 -2.10 -0.40 0.00 0.00 0.00 0.00 46.02 43.48 1fae n GLY 217 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1fae s THR 218 N 1.20 4.67 0.27 2.61 -1.32 -1.26 -5.01 115.64 116.79 1fae s THR 218 Ca 0.00 1.81 -0.30 0.00 -1.21 0.00 0.00 61.69 61.98 1fae s THR 218 Cb 0.00 -4.20 -0.11 0.00 -1.51 0.00 0.00 72.50 66.68 1fae s THR 218 CO 0.00 0.33 1.62 -2.84 -2.21 0.00 0.00 174.62 171.51 1fae s PRO 219 N 0.07 4.13 0.49 7.08 0.02 -1.26 -5.00 135.00 140.53 1fae s PRO 219 Ca 0.42 2.56 -0.05 0.00 0.02 0.00 0.00 61.00 63.96 1fae s PRO 219 Cb -0.21 -3.04 -0.03 0.00 0.02 0.00 0.00 34.50 31.23 1fae s PRO 219 CO 0.26 -0.65 0.78 0.00 -0.33 0.00 0.00 177.00 177.06 1fae s ALA 220 N 0.31 3.42 0.22 -1.55 0.00 -1.26 -5.04 121.76 117.86 1fae s ALA 220 Ca 0.66 -0.57 -0.30 0.00 0.00 0.00 0.00 51.96 51.75 1fae s ALA 220 Cb -0.48 -2.55 -0.09 0.00 0.00 0.00 0.00 23.12 20.01 1fae s ALA 220 CO 0.43 -0.39 1.25 0.15 0.00 0.00 0.00 175.76 177.20 1fae s LYS 221 N -4.74 4.45 0.13 0.00 1.02 -1.26 -4.98 119.74 114.35 1fae s LYS 221 Ca 0.48 1.98 -0.24 0.00 0.02 0.00 0.00 55.97 58.21 1fae s LYS 221 Cb -0.10 -3.20 0.07 0.00 -0.52 0.00 0.00 37.83 34.08 1fae s LYS 221 CO 0.44 -0.14 0.64 1.14 -0.92 0.00 0.00 175.35 176.51 1fae s GLN 222 N -0.47 1.21 0.22 1.68 -2.07 -0.64 -1.47 119.66 118.13 1fae s GLN 222 Ca 0.53 -0.40 0.09 0.00 -1.82 0.00 0.00 55.36 53.76 1fae s GLN 222 Cb -0.35 0.56 -0.04 0.00 -1.09 0.00 0.00 33.01 32.09 1fae s GLN 222 CO 0.40 -0.52 -0.02 -0.59 -1.32 0.00 0.00 175.29 173.23 1fae s PHE 223 N -3.49 2.73 -0.28 9.60 -0.12 -0.30 -0.99 117.98 125.13 1fae s PHE 223 Ca 0.01 -0.20 -0.19 0.00 -0.05 0.00 0.00 56.93 56.49 1fae s PHE 223 Cb -0.01 -1.27 0.08 0.00 -0.63 0.00 0.00 43.02 41.19 1fae s PHE 223 CO -0.11 0.57 0.72 -1.59 -0.05 0.00 0.00 175.22 174.76 1fae s LYS 224 N -3.29 0.74 0.13 1.99 0.00 -0.56 -1.65 119.74 117.10 1fae s LYS 224 Ca 0.29 1.12 0.07 0.00 0.00 0.00 0.00 55.97 57.45 1fae s LYS 224 Cb -0.08 0.24 -0.04 0.00 0.00 0.00 0.00 37.83 37.95 1fae s LYS 224 CO 0.18 -0.13 -0.17 0.71 0.00 0.00 0.00 175.35 175.94 1fae s TYR 225 N 1.15 1.66 -0.05 1.78 1.51 0.11 -4.65 117.35 118.86 1fae s TYR 225 Ca -0.06 -0.48 0.01 0.00 -1.01 0.00 0.00 57.07 55.53 1fae s TYR 225 Cb -0.05 -0.86 0.02 0.00 -0.11 0.00 0.00 41.96 40.96 1fae s TYR 225 CO -0.12 0.23 -0.06 0.99 -1.11 0.00 0.00 175.55 175.49 1fae s THR 226 N -1.83 0.61 0.22 -0.71 2.01 -1.26 -1.47 115.64 113.21 1fae s THR 226 Ca 0.11 -0.17 -0.07 0.00 0.31 0.00 0.00 61.69 61.87 1fae s THR 226 Cb -0.07 -0.62 -0.06 0.00 0.01 0.00 0.00 72.50 71.76 1fae s THR 226 CO 0.05 0.24 0.49 0.21 -0.69 0.00 0.00 174.62 174.92 1fae s ASN 227 N 0.85 6.54 -0.49 3.53 3.84 -0.25 -1.31 114.94 127.64 1fae s ASN 227 Ca -0.12 0.76 0.00 0.00 0.21 0.00 0.00 52.86 53.71 1fae s ASN 227 Cb -0.15 -2.16 0.13 0.00 -0.55 0.00 0.00 41.25 38.52 1fae s ASN 227 CO 0.01 -0.06 0.25 0.00 -2.79 0.00 0.00 177.10 174.51 1fae s ALA 228 N -1.83 3.26 0.42 1.71 0.00 -1.26 -4.05 121.76 120.01 1fae s ALA 228 Ca 0.44 -2.94 0.19 0.00 0.00 0.00 0.00 51.96 49.65 1fae s ALA 228 Cb -0.11 -2.32 1.11 0.00 0.00 0.00 0.00 23.12 21.79 1fae s ALA 228 CO 0.24 -1.92 1.84 -1.35 0.00 0.00 0.00 175.76 174.57 1fae h PRO 229 N 7.26 0.37 -0.27 0.00 0.11 -1.81 -1.73 132.00 135.92 1fae h PRO 229 Ca -0.07 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.98 1fae h PRO 229 Cb 0.97 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.98 1fae h PRO 229 CO 0.66 0.24 -0.03 0.38 -0.21 0.00 0.00 178.00 179.05 1fae h ASP 230 N 0.38 0.39 -0.12 -2.05 2.03 -1.88 -1.35 116.42 113.82 1fae h ASP 230 Ca 0.49 -0.07 -0.12 0.00 -0.73 0.00 0.00 57.03 56.60 1fae h ASP 230 Cb 1.28 -0.10 0.00 0.00 -0.83 0.00 0.00 39.33 39.68 1fae h ASP 230 CO -0.19 0.48 -0.40 0.00 -1.03 0.00 0.00 179.24 178.10 1fae h ALA 231 N 1.57 0.22 -0.47 4.15 0.00 -1.66 -1.62 119.26 121.45 1fae h ALA 231 Ca 0.09 -0.46 -0.05 0.00 0.00 0.00 0.00 54.91 54.49 1fae h ALA 231 Cb 0.32 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1fae h ALA 231 CO 0.01 0.32 0.08 -0.44 0.00 0.00 0.00 179.25 179.22 1fae h ASP 232 N 0.09 0.67 -0.21 0.00 5.19 -1.37 -1.33 116.42 119.46 1fae h ASP 232 Ca -0.02 -0.12 -0.17 0.00 -0.62 0.00 0.00 57.03 56.10 1fae h ASP 232 Cb 1.03 -0.18 -0.00 0.00 0.18 0.00 0.00 39.33 40.36 1fae h ASP 232 CO 0.09 0.69 -0.50 0.00 -3.12 0.00 0.00 179.24 176.40 1fae h ALA 233 N 1.40 0.59 -0.14 3.45 0.00 -1.26 -2.63 119.26 120.67 1fae h ALA 233 Ca 0.15 -0.49 -0.05 0.00 0.00 0.00 0.00 54.91 54.51 1fae h ALA 233 Cb 0.31 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1fae h ALA 233 CO 0.00 0.68 -0.16 -0.09 0.00 0.00 0.00 179.25 179.68 1fae h ARG 234 N 0.62 0.22 -0.66 0.00 2.43 -0.95 -1.22 114.38 114.81 1fae h ARG 234 Ca 0.03 -0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 59.07 1fae h ARG 234 Cb 1.08 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.57 1fae h ARG 234 CO 0.11 0.39 0.14 0.00 -1.51 0.00 0.00 179.97 179.10 1fae h ALA 235 N 1.63 1.00 -0.22 2.80 0.00 -0.96 0.30 119.26 123.81 1fae h ALA 235 Ca 0.04 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 1fae h ALA 235 Cb 0.42 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1fae h ALA 235 CO 0.03 0.64 -0.07 0.28 0.00 0.00 0.00 179.25 180.13 1fae h VAL 236 N 1.00 1.29 -0.59 0.00 2.07 -1.09 -1.77 116.25 117.16 1fae h VAL 236 Ca 0.21 -1.09 0.06 0.00 0.82 0.00 0.00 66.70 66.70 1fae h VAL 236 Cb 0.38 1.56 -0.05 0.00 -1.52 0.00 0.00 31.29 31.65 1fae h VAL 236 CO 0.00 0.33 0.30 -0.61 0.02 0.00 0.00 177.57 177.62 1fae h GLN 237 N 0.15 0.55 -0.39 1.57 4.15 -0.96 -0.84 115.11 119.34 1fae h GLN 237 Ca 0.05 -0.03 -0.13 0.00 0.77 0.00 0.00 58.65 59.31 1fae h GLN 237 Cb 0.54 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 28.09 1fae h GLN 237 CO 0.02 0.36 -0.27 0.00 -1.93 0.00 0.00 178.83 177.02 1fae h ALA 238 N 1.33 0.79 -0.27 3.38 0.00 -0.90 -3.02 119.26 120.57 1fae h ALA 238 Ca 0.27 -0.40 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 1fae h ALA 238 Cb 0.20 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1fae h ALA 238 CO -0.19 0.65 -0.28 1.15 0.00 0.00 0.00 179.25 180.58 1fae h THR 239 N 0.71 1.28 -0.01 0.00 2.02 -0.79 -2.19 112.91 113.91 1fae h THR 239 Ca 0.09 -1.35 0.00 0.00 0.77 0.00 0.00 66.41 65.92 1fae h THR 239 Cb 0.81 1.38 -0.00 0.00 -1.74 0.00 0.00 68.15 68.59 1fae h THR 239 CO 0.07 0.43 0.00 0.22 0.37 0.00 0.00 175.52 176.61 1fae h TYR 240 N 0.47 0.00 -0.54 3.16 3.20 -1.05 -0.02 116.97 122.19 1fae h TYR 240 Ca 0.06 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.89 1fae h TYR 240 Cb 0.73 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.98 1fae h TYR 240 CO 0.03 0.00 0.18 -1.49 -1.64 0.00 0.00 178.16 175.23 1fae h TRP 241 N 0.01 0.81 -0.59 -3.82 4.06 -1.44 -0.96 115.95 114.02 1fae h TRP 241 Ca 0.01 -0.06 -0.06 0.00 2.06 0.00 0.00 58.89 60.84 1fae h TRP 241 Cb 0.01 -0.25 -0.03 0.00 -1.00 0.00 0.00 29.16 27.89 1fae h TRP 241 CO -0.09 0.66 0.13 0.00 -3.56 0.00 0.00 178.44 175.58 1fae h ALA 242 N 1.41 1.13 -0.34 1.49 0.00 -0.94 -0.38 119.26 121.63 1fae h ALA 242 Ca 0.18 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 1fae h ALA 242 Cb 0.22 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1fae h ALA 242 CO -0.01 0.59 -0.15 0.22 0.00 0.00 0.00 179.25 179.90 1fae h ASP 243 N 0.88 0.71 0.14 0.00 1.82 -0.43 -0.73 116.42 118.80 1fae h ASP 243 Ca 0.19 -0.40 -0.01 0.00 -0.39 0.00 0.00 57.03 56.42 1fae h ASP 243 Cb 0.33 -0.20 0.00 0.00 0.68 0.00 0.00 39.33 40.15 1fae h ASP 243 CO 0.00 0.95 -0.07 1.56 -1.61 0.00 0.00 179.24 180.08 1fae h GLN 244 N 0.47 -0.18 -0.73 0.28 1.08 -0.95 -1.95 115.11 113.12 1fae h GLN 244 Ca 0.08 0.01 -0.05 0.00 -1.45 0.00 0.00 58.65 57.24 1fae h GLN 244 Cb 0.67 0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 28.11 1fae h GLN 244 CO 0.05 -0.02 0.27 -1.49 -0.95 0.00 0.00 178.83 176.69 1fae h TRP 245 N -0.32 1.12 -0.21 2.96 6.55 -1.09 -2.38 115.95 122.58 1fae h TRP 245 Ca -0.02 -0.09 -0.01 0.00 0.95 0.00 0.00 58.89 59.72 1fae h TRP 245 Cb 0.25 -0.33 -0.01 0.00 -0.86 0.00 0.00 29.16 28.21 1fae h TRP 245 CO -0.03 0.86 0.09 0.00 -1.05 0.00 0.00 178.44 178.31 1fae h ALA 246 N 1.22 0.28 -0.11 1.49 0.00 -1.08 -2.95 119.26 118.12 1fae h ALA 246 Ca 0.24 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1fae h ALA 246 Cb 0.24 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1fae h ALA 246 CO -0.02 -0.14 0.01 0.87 0.00 0.00 0.00 179.25 179.97 1fae h LYS 247 N 0.20 0.15 0.00 0.00 6.56 -1.14 0.28 116.57 122.62 1fae h LYS 247 Ca 0.07 -0.02 -0.01 0.00 -1.06 0.00 0.00 60.65 59.64 1fae h LYS 247 Cb 0.16 -0.03 -0.00 0.00 -0.57 0.00 0.00 32.23 31.79 1fae h LYS 247 CO -0.01 0.16 -0.04 0.93 -2.06 0.00 0.00 179.45 178.43 1fae h GLU 248 N 0.15 0.00 -0.23 3.15 5.08 -1.25 -2.96 114.58 118.53 1fae h GLU 248 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1fae h GLU 248 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1fae h GLU 248 CO 0.00 0.04 0.00 1.04 -1.00 0.00 0.00 179.01 179.09 1fae n GLN 249 N -3.19 2.69 -1.63 2.33 6.02 -0.54 -0.93 117.38 122.13 1fae n GLN 249 Ca -0.00 -2.55 -0.14 0.00 -0.01 0.00 0.00 57.00 54.29 1fae n GLN 249 Cb 0.27 -1.62 -0.05 0.00 1.02 0.00 0.00 30.24 29.86 1fae n GLN 249 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1fae n GLY 250 N -0.42 1.06 3.89 1.08 0.00 -1.02 -5.01 105.19 104.78 1fae n GLY 250 Ca 0.17 -0.33 -0.23 0.00 0.00 0.00 0.00 46.02 45.63 1fae n GLY 250 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fae s LYS 251 N -3.59 2.39 -0.05 1.61 -0.14 -0.02 -4.99 119.74 114.94 1fae s LYS 251 Ca 0.00 -1.74 -0.05 0.00 -1.36 0.00 0.00 55.97 52.83 1fae s LYS 251 Cb 0.00 -2.27 0.01 0.00 -1.68 0.00 0.00 37.83 33.89 1fae s LYS 251 CO 0.00 -0.39 0.13 0.45 -0.76 0.00 0.00 175.35 174.79 1fae s SER 252 N -4.21 -0.14 -0.27 2.83 0.15 -1.26 -3.57 113.70 107.23 1fae s SER 252 Ca 0.44 0.27 0.14 0.00 0.70 0.00 0.00 55.95 57.50 1fae s SER 252 Cb -0.02 0.27 0.48 0.00 -1.71 0.00 0.00 66.02 65.04 1fae s SER 252 CO 0.26 -0.05 1.16 1.33 1.20 0.00 0.00 173.24 177.14 1fae n VAL 253 N 3.05 1.96 -0.18 4.45 0.24 -1.26 -4.90 118.33 121.68 1fae n VAL 253 Ca -0.13 -3.62 -0.01 0.00 -2.04 0.00 0.00 64.34 58.54 1fae n VAL 253 Cb 0.59 -0.05 0.08 0.00 -1.47 0.00 0.00 33.84 32.98 1fae n VAL 253 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1fae h SER 254 N 2.34 -0.22 -0.70 -1.34 0.02 -1.99 -1.39 113.55 110.27 1fae h SER 254 Ca 0.14 0.13 -0.02 0.00 -0.84 0.00 0.00 61.79 61.21 1fae h SER 254 Cb 1.42 0.23 -0.03 0.00 0.14 0.00 0.00 62.40 64.16 1fae h SER 254 CO 0.50 -0.08 0.38 0.00 -1.14 0.00 0.00 176.83 176.49 1fae h THR 255 N 0.13 1.21 -0.07 -2.27 1.03 -2.01 -2.21 112.91 108.72 1fae h THR 255 Ca 0.28 -0.55 -0.14 0.00 -0.01 0.00 0.00 66.41 66.00 1fae h THR 255 Cb 0.44 0.26 -0.01 0.00 -1.07 0.00 0.00 68.15 67.76 1fae h THR 255 CO -0.46 0.24 -0.56 0.28 -0.01 0.00 0.00 175.52 175.01 1fae h SER 256 N 1.00 0.24 -0.62 0.00 0.02 -1.72 -2.87 113.55 109.60 1fae h SER 256 Ca 0.25 -0.13 -0.05 0.00 -0.84 0.00 0.00 61.79 61.02 1fae h SER 256 Cb 0.04 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 62.48 1fae h SER 256 CO -0.04 0.75 0.20 0.58 -1.14 0.00 0.00 176.83 177.18 1fae h VAL 257 N 0.16 1.24 -0.40 2.27 2.07 -0.71 -1.68 116.25 119.20 1fae h VAL 257 Ca -0.00 -0.83 -0.09 0.00 0.82 0.00 0.00 66.70 66.59 1fae h VAL 257 Cb 1.04 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 1fae h VAL 257 CO 0.09 0.32 -0.14 1.23 0.02 0.00 0.00 177.57 179.09 1fae h GLY 258 N 1.05 0.79 0.87 2.17 0.00 -1.22 -1.27 103.07 105.46 1fae h GLY 258 Ca 0.21 -0.61 -0.09 0.00 0.00 0.00 0.00 47.33 46.85 1fae h GLY 258 CO -0.01 0.56 -0.19 0.50 0.00 0.00 0.00 176.54 177.40 1fae h LYS 259 N 0.66 0.55 -0.84 4.80 1.57 -1.33 -1.85 116.57 120.13 1fae h LYS 259 Ca 0.11 -0.28 0.01 0.00 -1.87 0.00 0.00 60.65 58.62 1fae h LYS 259 Cb 0.61 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.88 1fae h LYS 259 CO 0.04 0.86 0.55 0.00 -0.57 0.00 0.00 179.45 180.32 1fae h ALA 260 N 0.69 1.38 -0.35 3.86 0.00 -1.18 -0.63 119.26 123.02 1fae h ALA 260 Ca 0.04 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 1fae h ALA 260 Cb 0.73 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1fae h ALA 260 CO 0.05 0.57 -0.39 1.15 0.00 0.00 0.00 179.25 180.63 1fae h THR 261 N 1.15 1.28 -0.31 0.00 2.02 -1.16 -1.13 112.91 114.75 1fae h THR 261 Ca 0.31 -1.56 -0.07 0.00 0.77 0.00 0.00 66.41 65.85 1fae h THR 261 Cb -0.11 1.42 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 1fae h THR 261 CO -0.06 0.52 -0.08 0.50 0.37 0.00 0.00 175.52 176.76 1fae h LYS 262 N 0.69 0.61 -0.77 6.66 3.64 -0.97 -2.13 116.57 124.30 1fae h LYS 262 Ca 0.06 -0.23 0.03 0.00 -1.27 0.00 0.00 60.65 59.23 1fae h LYS 262 Cb 0.96 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.70 1fae h LYS 262 CO 0.09 0.79 0.49 1.98 -2.27 0.00 0.00 179.45 180.53 1fae h MET 263 N 0.38 0.93 0.00 1.90 4.05 -1.00 -1.26 114.93 119.92 1fae h MET 263 Ca 0.08 -0.06 -0.04 0.00 -0.28 0.00 0.00 59.70 59.41 1fae h MET 263 Cb 0.57 -0.21 -0.01 0.00 -0.80 0.00 0.00 31.60 31.16 1fae h MET 263 CO 0.03 0.61 -0.17 0.78 0.23 0.00 0.00 176.91 178.39 1fae h GLY 264 N 0.95 0.00 0.64 1.39 0.00 -1.03 0.38 103.07 105.41 1fae h GLY 264 Ca 0.31 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.58 1fae h GLY 264 CO -0.11 0.00 -0.19 -1.80 0.00 0.00 0.00 176.54 174.43 1fae h ASP 265 N 0.00 0.31 0.81 0.19 1.82 -0.56 -3.16 116.42 115.82 1fae h ASP 265 Ca -0.00 -0.58 -0.08 0.00 -0.39 0.00 0.00 57.03 55.97 1fae h ASP 265 Cb 0.46 -0.09 -0.01 0.00 0.68 0.00 0.00 39.33 40.37 1fae h ASP 265 CO 0.02 0.84 -0.39 1.88 -1.61 0.00 0.00 179.24 179.98 1fae h TYR 266 N -0.20 0.00 0.00 0.28 -1.99 -1.13 -3.07 116.97 110.86 1fae h TYR 266 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1fae h TYR 266 Cb 0.80 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.53 1fae h TYR 266 CO 0.12 0.39 0.07 1.25 -0.00 0.00 0.00 178.16 179.98 1fae h LEU 267 N 0.00 0.00 -2.25 3.88 5.85 -0.89 -1.76 115.31 120.14 1fae h LEU 267 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1fae h LEU 267 Cb 0.90 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.93 1fae h LEU 267 CO 0.05 0.00 0.00 0.03 -0.34 0.00 0.00 178.44 178.18 1fae h ARG 268 N 0.00 0.00 0.00 1.25 3.08 -1.62 -1.89 114.38 115.19 1fae h ARG 268 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1fae h ARG 268 Cb 0.14 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.19 1fae h ARG 268 CO 0.00 0.00 -0.00 1.88 -1.07 0.00 0.00 179.97 180.78 1fae h TYR 269 N 0.00 0.00 0.00 3.04 -1.99 -1.58 -0.48 116.97 115.96 1fae h TYR 269 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1fae h TYR 269 Cb 0.07 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.80 1fae h TYR 269 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 178.16 177.03 1fae n SER 270 N -3.34 0.00 0.00 3.88 3.41 -0.71 -3.09 113.62 113.77 1fae n SER 270 Ca -0.03 0.22 0.13 0.00 -0.26 0.00 0.00 58.87 58.93 1fae n SER 270 Cb 0.08 -0.40 0.58 0.00 -0.26 0.00 0.00 64.21 64.20 1fae n SER 270 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1fae n PHE 271 N -1.40 0.02 -4.10 7.33 0.99 -0.19 -2.80 117.46 117.30 1fae n PHE 271 Ca 0.10 0.01 -0.33 0.00 -0.00 0.00 0.00 57.45 57.22 1fae n PHE 271 Cb 0.28 -0.51 -0.07 0.00 -1.00 0.00 0.00 39.48 38.18 1fae n PHE 271 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.76 176.70 1fae s PHE 272 N -3.00 3.28 0.46 1.38 0.40 -1.18 0.11 117.98 119.44 1fae s PHE 272 Ca 0.13 0.20 -0.24 0.00 -0.60 0.00 0.00 56.93 56.43 1fae s PHE 272 Cb 0.18 -1.73 -0.09 0.00 0.51 0.00 0.00 43.02 41.89 1fae s PHE 272 CO 0.50 0.55 1.16 -3.47 0.70 0.00 0.00 175.22 174.66 1fae n ASP 273 N 1.16 1.92 -0.35 1.36 -0.08 -0.63 -1.17 116.55 118.76 1fae n ASP 273 Ca -0.13 1.03 -0.02 0.00 -1.51 0.00 0.00 54.79 54.16 1fae n ASP 273 Cb 0.53 -1.45 0.03 0.00 2.34 0.00 0.00 41.12 42.57 1fae n ASP 273 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 1fae h LYS 274 N 1.61 -0.03 -0.58 -0.67 3.64 -1.74 -0.86 116.57 117.93 1fae h LYS 274 Ca -0.47 0.00 -0.34 0.00 -1.27 0.00 0.00 60.65 58.56 1fae h LYS 274 Cb 1.32 0.01 -0.21 0.00 -0.41 0.00 0.00 32.23 32.94 1fae h LYS 274 CO 0.57 -0.02 0.04 0.66 -2.27 0.00 0.00 179.45 178.43 1fae n TYR 275 N -5.46 1.87 -4.05 1.91 4.02 -1.26 -2.41 117.16 111.77 1fae n TYR 275 Ca 0.09 -1.92 -0.31 0.00 -0.01 0.00 0.00 57.90 55.75 1fae n TYR 275 Cb 0.39 -0.66 -0.01 0.00 -0.02 0.00 0.00 39.34 39.04 1fae n TYR 275 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 1fae n PHE 276 N -1.05 -1.86 -3.04 -0.72 3.01 -0.33 -1.63 117.46 111.85 1fae n PHE 276 Ca 0.42 0.81 -0.31 0.00 1.01 0.00 0.00 57.45 59.39 1fae n PHE 276 Cb 1.08 -3.47 -0.04 0.00 -0.01 0.00 0.00 39.48 37.03 1fae n PHE 276 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1fae s ARG 277 N -6.71 3.84 0.35 -1.08 1.81 -1.26 -0.74 118.95 115.17 1fae s ARG 277 Ca 0.49 0.48 -0.29 0.00 -1.72 0.00 0.00 55.73 54.69 1fae s ARG 277 Cb -0.26 -2.45 -0.11 0.00 -0.45 0.00 0.00 34.95 31.68 1fae s ARG 277 CO 0.89 0.08 1.53 1.63 -0.68 0.00 0.00 175.30 178.75 1fae n LYS 278 N -0.85 2.70 -2.33 3.54 5.02 -0.64 -4.39 118.16 121.21 1fae n LYS 278 Ca 0.02 0.95 -0.42 0.00 -2.02 0.00 0.00 58.31 56.84 1fae n LYS 278 Cb 0.54 -2.70 -0.03 0.00 -0.02 0.00 0.00 35.03 32.82 1fae n LYS 278 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1fae s ILE 279 N -0.78 3.90 0.00 -0.18 -1.09 -0.46 -2.84 121.20 119.75 1fae s ILE 279 Ca 0.56 1.31 0.00 0.00 -2.23 0.00 0.00 60.65 60.29 1fae s ILE 279 Cb -0.48 -3.84 0.00 0.00 -1.58 0.00 0.00 42.46 36.56 1fae s ILE 279 CO 0.59 0.04 0.00 0.61 -1.23 0.00 0.00 174.94 174.95 1fae n GLY 280 N 3.44 2.06 2.20 6.18 0.00 -1.25 -4.85 105.19 112.98 1fae n GLY 280 Ca 0.11 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.94 1fae n GLY 280 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1fae n GLN 281 N -2.00 0.90 0.20 1.61 6.02 -1.13 -4.88 117.38 118.09 1fae n GLN 281 Ca 0.00 -3.30 0.17 0.00 -0.01 0.00 0.00 57.00 53.86 1fae n GLN 281 Cb 0.00 -1.56 0.67 0.00 1.02 0.00 0.00 30.24 30.37 1fae n GLN 281 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 1fae h PRO 282 N 3.28 0.00 0.00 -1.09 0.13 -1.83 -2.07 132.00 130.42 1fae h PRO 282 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1fae h PRO 282 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 1fae h PRO 282 CO 0.48 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 178.91 1fae h SER 283 N 0.00 0.00 -3.14 1.44 4.64 -1.88 -3.45 113.55 111.16 1fae h SER 283 Ca 0.11 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.80 1fae h SER 283 Cb 1.17 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.12 1fae h SER 283 CO -0.00 0.00 -0.55 -1.10 -0.87 0.00 0.00 176.83 174.31 1fae s GLN 284 N -3.22 3.70 0.40 4.77 -0.21 -0.78 -4.93 119.66 119.40 1fae s GLN 284 Ca 0.08 -0.29 -0.27 0.00 0.02 0.00 0.00 55.36 54.90 1fae s GLN 284 Cb 0.09 -3.15 -0.09 0.00 1.00 0.00 0.00 33.01 30.86 1fae s GLN 284 CO 0.59 0.47 1.37 0.00 -2.12 0.00 0.00 175.29 175.60 1fae s ALA 285 N -0.18 3.34 0.67 6.09 0.00 -1.26 -1.63 121.76 128.80 1fae s ALA 285 Ca 0.08 1.35 -0.11 0.00 0.00 0.00 0.00 51.96 53.28 1fae s ALA 285 Cb -0.12 -3.53 -0.01 0.00 0.00 0.00 0.00 23.12 19.46 1fae s ALA 285 CO 0.01 -0.93 1.06 0.20 0.00 0.00 0.00 175.76 176.10 1fae s GLY 286 N -0.54 1.65 -0.06 0.00 0.00 0.08 -4.56 107.32 103.88 1fae s GLY 286 Ca 0.56 -0.16 0.12 0.00 0.00 0.00 0.00 44.72 45.24 1fae s GLY 286 CO 0.54 0.16 1.27 -1.30 0.00 0.00 0.00 173.10 173.77 1fae n THR 287 N -2.95 1.43 0.00 0.90 -2.24 -1.26 -2.53 114.28 107.63 1fae n THR 287 Ca 0.07 -1.32 0.00 0.00 -2.27 0.00 0.00 64.05 60.52 1fae n THR 287 Cb 0.55 0.24 0.00 0.00 -2.10 0.00 0.00 70.33 69.02 1fae n THR 287 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1fae n GLY 288 N 0.01 0.70 0.01 3.38 0.00 -1.25 -4.86 105.19 103.17 1fae n GLY 288 Ca 0.14 -0.52 0.09 0.00 0.00 0.00 0.00 46.02 45.72 1fae n GLY 288 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1fae n TYR 289 N 0.00 0.07 0.71 1.61 4.01 -1.26 -2.51 117.16 119.79 1fae n TYR 289 Ca 0.00 0.03 0.08 0.00 -0.16 0.00 0.00 57.90 57.84 1fae n TYR 289 Cb 0.00 -0.54 0.39 0.00 -0.31 0.00 0.00 39.34 38.87 1fae n TYR 289 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 1fae n ASP 290 N -1.56 0.00 -1.20 7.72 5.68 -1.26 -1.65 116.55 124.27 1fae n ASP 290 Ca 0.04 0.12 0.11 0.00 -0.50 0.00 0.00 54.79 54.56 1fae n ASP 290 Cb 0.22 -0.31 0.28 0.00 -1.14 0.00 0.00 41.12 40.17 1fae n ASP 290 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1fae n ALA 291 N -1.31 2.35 -2.63 2.12 0.00 -1.04 -1.36 120.51 118.64 1fae n ALA 291 Ca 0.07 -1.23 -0.37 0.00 0.00 0.00 0.00 53.44 51.91 1fae n ALA 291 Cb 0.13 -0.83 -0.10 0.00 0.00 0.00 0.00 19.45 18.65 1fae n ALA 291 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fae s ALA 292 N -1.06 3.56 -0.75 0.00 0.00 -0.66 -1.61 121.76 121.24 1fae s ALA 292 Ca 0.43 -1.01 0.24 0.00 0.00 0.00 0.00 51.96 51.62 1fae s ALA 292 Cb 0.23 -2.41 0.22 0.00 0.00 0.00 0.00 23.12 21.16 1fae s ALA 292 CO 0.30 -0.40 1.19 -2.39 0.00 0.00 0.00 175.76 174.46 1fae n HIS 293 N 4.73 0.24 -1.65 0.00 1.44 0.12 -4.88 115.22 115.23 1fae n HIS 293 Ca -0.14 0.07 -0.17 0.00 -2.01 0.00 0.00 57.72 55.47 1fae n HIS 293 Cb 0.52 -0.41 -0.06 0.00 0.12 0.00 0.00 29.99 30.16 1fae n HIS 293 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 1fae n TYR 294 N -1.84 -0.15 -4.31 -1.40 4.02 -1.02 -4.99 117.16 107.47 1fae n TYR 294 Ca 0.03 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.69 1fae n TYR 294 Cb 0.40 -2.97 -0.07 0.00 -0.02 0.00 0.00 39.34 36.67 1fae n TYR 294 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1fae s LEU 295 N -3.98 3.15 -0.79 7.72 1.43 -1.26 -4.39 118.68 120.55 1fae s LEU 295 Ca 0.00 -0.67 -0.24 0.00 -1.03 0.00 0.00 54.13 52.19 1fae s LEU 295 Cb 0.00 -1.68 0.05 0.00 0.03 0.00 0.00 46.19 44.60 1fae s LEU 295 CO 0.00 0.01 1.22 -0.76 0.23 0.00 0.00 176.35 177.05 1fae s LEU 296 N -3.65 3.70 1.12 1.79 1.43 -1.26 -3.70 118.68 118.11 1fae s LEU 296 Ca 0.31 -0.92 -0.18 0.00 -1.03 0.00 0.00 54.13 52.31 1fae s LEU 296 Cb -0.06 -2.51 0.26 0.00 0.03 0.00 0.00 46.19 43.90 1fae s LEU 296 CO 0.20 -1.61 1.19 -0.94 0.23 0.00 0.00 176.35 175.41 1fae s SER 297 N 3.97 1.68 0.46 2.29 1.04 -1.12 -4.57 113.70 117.45 1fae s SER 297 Ca 0.34 0.50 0.16 0.00 0.48 0.00 0.00 55.95 57.43 1fae s SER 297 Cb -0.08 -0.66 1.12 0.00 0.10 0.00 0.00 66.02 66.49 1fae s SER 297 CO 0.07 -3.64 2.00 -0.25 0.98 0.00 0.00 173.24 172.40 1fae h TRP 298 N -2.26 0.31 -1.89 5.02 2.91 -1.53 -3.42 115.95 115.10 1fae h TRP 298 Ca -0.45 0.01 0.29 0.00 1.13 0.00 0.00 58.89 59.87 1fae h TRP 298 Cb 1.27 -0.10 -0.09 0.00 -0.51 0.00 0.00 29.16 29.73 1fae h TRP 298 CO -1.81 0.15 0.77 1.52 -1.03 0.00 0.00 178.44 178.04 1fae s TYR 299 N -5.29 -0.02 -0.01 2.65 -0.85 -1.26 -4.46 117.35 108.11 1fae s TYR 299 Ca -0.07 -0.16 -0.01 0.00 -0.52 0.00 0.00 57.07 56.31 1fae s TYR 299 Cb 0.19 0.58 0.01 0.00 0.38 0.00 0.00 41.96 43.12 1fae s TYR 299 CO 0.74 -0.43 0.03 1.52 -1.52 0.00 0.00 175.55 175.89 1fae s TYR 300 N -2.38 -0.03 0.09 -3.49 -0.85 -1.26 -2.93 117.35 106.50 1fae s TYR 300 Ca 0.19 0.09 0.02 0.00 -0.52 0.00 0.00 57.07 56.86 1fae s TYR 300 Cb 0.02 -0.00 -0.04 0.00 0.38 0.00 0.00 41.96 42.32 1fae s TYR 300 CO -0.01 -0.02 -0.07 0.00 -1.52 0.00 0.00 175.55 173.93 1fae s ALA 301 N 0.09 0.91 0.08 9.51 0.00 -0.27 -1.10 121.76 131.00 1fae s ALA 301 Ca -0.01 -1.24 -0.16 0.00 0.00 0.00 0.00 51.96 50.55 1fae s ALA 301 Cb -0.01 0.13 0.03 0.00 0.00 0.00 0.00 23.12 23.27 1fae s ALA 301 CO -0.00 -0.19 0.38 1.67 0.00 0.00 0.00 175.76 177.62 1fae s TRP 302 N -3.17 -0.19 0.11 0.00 -2.14 -0.54 -0.74 118.94 112.28 1fae s TRP 302 Ca 0.08 -0.01 -0.19 0.00 2.66 0.00 0.00 56.10 58.64 1fae s TRP 302 Cb 0.02 0.20 0.06 0.00 -3.10 0.00 0.00 33.47 30.66 1fae s TRP 302 CO -0.04 -0.62 0.88 0.41 -2.66 0.00 0.00 176.95 174.93 1fae n GLY 303 N 0.14 0.63 3.94 3.67 0.00 -0.96 0.07 105.19 112.69 1fae n GLY 303 Ca -0.17 -1.09 0.04 0.00 0.00 0.00 0.00 46.02 44.81 1fae n GLY 303 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fae n GLY 304 N -0.63 0.10 3.79 -0.02 0.00 -0.66 -1.36 105.19 106.42 1fae n GLY 304 Ca -0.01 -1.01 -0.35 0.00 0.00 0.00 0.00 46.02 44.65 1fae n GLY 304 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1fae s GLY 305 N -3.95 2.61 -0.22 -0.02 0.00 -0.67 -1.15 107.32 103.92 1fae s GLY 305 Ca 0.32 0.69 -0.14 0.00 0.00 0.00 0.00 44.72 45.58 1fae s GLY 305 CO -0.03 1.05 0.01 1.39 0.00 0.00 0.00 173.10 175.53 1fae n ILE 306 N -0.68 1.57 0.72 0.90 5.41 -0.54 -4.59 119.36 122.15 1fae n ILE 306 Ca 0.08 -0.31 0.08 0.00 1.00 0.00 0.00 62.75 63.61 1fae n ILE 306 Cb 0.51 -1.87 0.04 0.00 -0.71 0.00 0.00 39.64 37.61 1fae n ILE 306 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1fae n ASP 307 N -4.08 2.13 -4.04 4.38 5.75 -1.26 -4.93 116.55 114.50 1fae n ASP 307 Ca -0.41 -1.56 -0.12 0.00 -0.01 0.00 0.00 54.79 52.69 1fae n ASP 307 Cb 0.84 0.19 -0.12 0.00 -1.03 0.00 0.00 41.12 41.00 1fae n ASP 307 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1fae s SER 308 N -1.63 0.72 -0.43 -1.12 1.04 -1.26 -5.11 113.70 105.89 1fae s SER 308 Ca 0.18 -0.51 -0.19 0.00 0.48 0.00 0.00 55.95 55.91 1fae s SER 308 Cb 0.14 0.04 0.03 0.00 0.10 0.00 0.00 66.02 66.33 1fae s SER 308 CO 0.29 -0.20 0.53 0.28 0.98 0.00 0.00 173.24 175.12 1fae s THR 309 N -1.30 4.97 0.00 2.02 -1.32 -1.26 -3.91 115.64 114.84 1fae s THR 309 Ca -0.10 -0.18 -0.29 0.00 -1.21 0.00 0.00 61.69 59.91 1fae s THR 309 Cb -0.09 -4.13 0.10 0.00 -1.51 0.00 0.00 72.50 66.87 1fae s THR 309 CO 0.00 -0.52 1.06 -1.66 -2.21 0.00 0.00 174.62 171.28 1fae s TRP 310 N 2.45 -0.18 0.20 9.09 1.48 -1.26 -4.94 118.94 125.78 1fae s TRP 310 Ca 0.16 0.02 -0.23 0.00 -1.06 0.00 0.00 56.10 54.99 1fae s TRP 310 Cb -0.16 0.56 0.05 0.00 -1.16 0.00 0.00 33.47 32.76 1fae s TRP 310 CO 0.16 -0.50 0.74 -1.54 -4.06 0.00 0.00 176.95 171.75 1fae s SER 311 N -2.66 -0.33 0.11 -2.66 1.04 -1.25 -1.67 113.70 106.27 1fae s SER 311 Ca 0.10 -0.37 -0.11 0.00 0.48 0.00 0.00 55.95 56.05 1fae s SER 311 Cb 0.00 0.63 0.01 0.00 0.10 0.00 0.00 66.02 66.75 1fae s SER 311 CO -0.04 -1.12 0.26 -1.66 0.98 0.00 0.00 173.24 171.66 1fae s TRP 312 N -3.70 0.10 -0.08 5.02 1.48 -0.47 -4.60 118.94 116.69 1fae s TRP 312 Ca 0.08 -0.49 -0.06 0.00 -1.06 0.00 0.00 56.10 54.57 1fae s TRP 312 Cb -0.04 0.02 0.02 0.00 -1.16 0.00 0.00 33.47 32.32 1fae s TRP 312 CO -0.00 -0.61 0.20 0.42 -4.06 0.00 0.00 176.95 172.90 1fae s ILE 313 N -3.86 -0.01 0.08 0.66 1.01 -0.93 -2.26 121.20 115.89 1fae s ILE 313 Ca 0.06 0.02 0.04 0.00 0.00 0.00 0.00 60.65 60.77 1fae s ILE 313 Cb 0.04 -0.28 -0.03 0.00 0.01 0.00 0.00 42.46 42.19 1fae s ILE 313 CO -0.10 0.01 -0.11 0.27 0.00 0.00 0.00 174.94 175.02 1fae s ILE 314 N 0.26 0.90 0.00 2.92 -4.36 0.08 -4.28 121.20 116.73 1fae s ILE 314 Ca -0.01 -1.46 0.00 0.00 -0.26 0.00 0.00 60.65 58.91 1fae s ILE 314 Cb -0.03 -1.16 0.00 0.00 1.25 0.00 0.00 42.46 42.52 1fae s ILE 314 CO -0.01 -0.45 0.00 0.61 0.24 0.00 0.00 174.94 175.33 1fae n GLY 315 N 0.88 2.29 3.30 6.27 0.00 -1.01 -1.11 105.19 115.81 1fae n GLY 315 Ca -0.18 -1.77 -0.13 0.00 0.00 0.00 0.00 46.02 43.94 1fae n GLY 315 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1fae s SER 316 N -0.77 -0.41 0.05 1.61 0.15 -0.31 -4.25 113.70 109.77 1fae s SER 316 Ca 0.00 0.75 0.24 0.00 0.70 0.00 0.00 55.95 57.64 1fae s SER 316 Cb 0.00 0.77 0.40 0.00 -1.71 0.00 0.00 66.02 65.48 1fae s SER 316 CO 0.00 -0.18 1.34 -1.20 1.20 0.00 0.00 173.24 174.40 1fae n SER 317 N 2.67 0.58 -4.73 5.45 7.64 -1.26 -3.75 113.62 120.22 1fae n SER 317 Ca -0.14 -0.10 -0.36 0.00 1.01 0.00 0.00 58.87 59.28 1fae n SER 317 Cb 0.57 0.28 -0.07 0.00 -1.01 0.00 0.00 64.21 63.98 1fae n SER 317 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1fae s HIS 318 N -3.09 3.46 -0.09 1.43 3.76 -1.26 -1.48 115.29 118.02 1fae s HIS 318 Ca 0.08 0.57 0.03 0.00 -0.15 0.00 0.00 55.06 55.59 1fae s HIS 318 Cb 0.16 -2.32 0.01 0.00 1.11 0.00 0.00 32.58 31.53 1fae s HIS 318 CO 0.72 0.25 -0.18 -0.80 -0.85 0.00 0.00 174.74 173.88 1fae s ASN 319 N 0.44 2.51 -0.07 1.40 0.01 0.30 -1.36 114.94 118.17 1fae s ASN 319 Ca 0.16 -0.45 0.04 0.00 -0.71 0.00 0.00 52.86 51.90 1fae s ASN 319 Cb -0.13 -1.15 -0.01 0.00 0.41 0.00 0.00 41.25 40.37 1fae s ASN 319 CO 0.03 0.08 -0.21 -2.28 -1.51 0.00 0.00 177.10 173.22 1fae s HIS 320 N 0.61 2.57 0.52 2.20 2.46 -1.26 -1.57 115.29 120.81 1fae s HIS 320 Ca -0.14 -0.63 0.16 0.00 0.47 0.00 0.00 55.06 54.92 1fae s HIS 320 Cb -0.16 -1.66 1.26 0.00 -0.13 0.00 0.00 32.58 31.88 1fae s HIS 320 CO 0.04 -0.16 2.14 0.27 -2.47 0.00 0.00 174.74 174.57 1fae h PHE 321 N 6.10 0.00 0.00 3.88 -5.15 -1.43 -2.56 116.94 117.77 1fae h PHE 321 Ca -0.32 0.00 -0.00 0.00 -0.20 0.00 0.00 57.97 57.45 1fae h PHE 321 Cb 1.18 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 37.35 1fae h PHE 321 CO 0.46 0.01 -0.00 0.78 -2.00 0.00 0.00 178.31 177.56 1fae h GLY 322 N 0.04 0.00 0.96 6.09 0.00 -1.84 -2.47 103.07 105.85 1fae h GLY 322 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1fae h GLY 322 CO 0.00 0.00 -0.80 -1.72 0.00 0.00 0.00 176.54 174.02 1fae n TYR 323 N -3.42 0.50 -1.84 5.60 4.02 -0.97 -4.35 117.16 116.71 1fae n TYR 323 Ca -0.03 0.15 -0.36 0.00 -0.01 0.00 0.00 57.90 57.65 1fae n TYR 323 Cb 0.08 -0.62 0.05 0.00 -0.02 0.00 0.00 39.34 38.83 1fae n TYR 323 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 176.86 175.20 1fae s GLN 324 N -3.20 2.72 -0.41 -0.72 -1.52 -0.93 -4.41 119.66 111.19 1fae s GLN 324 Ca 0.05 1.82 0.04 0.00 -1.95 0.00 0.00 55.36 55.31 1fae s GLN 324 Cb 0.13 -1.90 0.17 0.00 -0.22 0.00 0.00 33.01 31.19 1fae s GLN 324 CO 0.75 -1.40 0.43 1.21 -0.25 0.00 0.00 175.29 176.04 1fae s ASN 325 N -1.72 0.78 0.53 5.90 3.84 -1.26 -4.84 114.94 118.16 1fae s ASN 325 Ca 0.77 -2.14 0.28 0.00 0.21 0.00 0.00 52.86 51.97 1fae s ASN 325 Cb -0.30 0.46 1.48 0.00 -0.55 0.00 0.00 41.25 42.34 1fae s ASN 325 CO 0.37 -0.19 2.09 -0.65 -2.79 0.00 0.00 177.10 175.93 1fae h PRO 326 N 6.16 0.00 -0.15 0.43 0.11 -1.93 -2.33 132.00 134.29 1fae h PRO 326 Ca 0.13 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.17 1fae h PRO 326 Cb 1.01 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.12 1fae h PRO 326 CO 0.22 0.11 -0.16 0.35 -0.21 0.00 0.00 178.00 178.31 1fae h PHE 327 N 0.00 0.46 -0.49 0.65 3.57 -1.95 -0.83 116.94 118.35 1fae h PHE 327 Ca -0.00 -0.14 -0.04 0.00 3.53 0.00 0.00 57.97 61.32 1fae h PHE 327 Cb 0.31 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 1fae h PHE 327 CO 0.00 0.77 0.14 0.00 -2.23 0.00 0.00 178.31 176.98 1fae h ALA 328 N 0.61 1.32 -0.59 2.41 0.00 -1.80 -0.98 119.26 120.24 1fae h ALA 328 Ca 0.02 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 1fae h ALA 328 Cb 0.69 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1fae h ALA 328 CO 0.04 0.49 0.10 0.00 0.00 0.00 0.00 179.25 179.87 1fae h ALA 329 N 1.44 1.06 -0.20 0.00 0.00 -1.27 -1.75 119.26 118.54 1fae h ALA 329 Ca 0.16 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1fae h ALA 329 Cb 0.24 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1fae h ALA 329 CO -0.01 0.61 -0.03 2.35 0.00 0.00 0.00 179.25 182.18 1fae h TRP 330 N 0.90 0.41 0.02 0.00 7.01 -0.34 -2.54 115.95 121.40 1fae h TRP 330 Ca 0.18 -0.08 0.02 0.00 2.11 0.00 0.00 58.89 61.12 1fae h TRP 330 Cb 0.39 -0.10 -0.03 0.00 -2.10 0.00 0.00 29.16 27.32 1fae h TRP 330 CO 0.03 0.60 -0.15 0.28 -2.79 0.00 0.00 178.44 176.40 1fae h VAL 331 N 0.10 0.63 0.00 2.65 2.07 -1.05 -1.16 116.25 119.50 1fae h VAL 331 Ca 0.05 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.57 1fae h VAL 331 Cb 0.45 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 1fae h VAL 331 CO 0.02 0.00 0.00 -0.07 0.02 0.00 0.00 177.57 177.54 1fae h LEU 332 N -0.27 0.00 0.00 2.57 3.38 -1.34 -1.79 115.31 117.86 1fae h LEU 332 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1fae h LEU 332 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1fae h LEU 332 CO -0.13 0.00 -1.56 -1.54 0.09 0.00 0.00 178.44 175.29 1fae n SER 333 N -3.00 0.68 0.00 -0.43 3.41 -0.96 -4.40 113.62 108.93 1fae n SER 333 Ca 0.01 -0.30 0.00 0.00 -0.26 0.00 0.00 58.87 58.32 1fae n SER 333 Cb 0.29 1.60 0.00 0.00 -0.26 0.00 0.00 64.21 65.84 1fae n SER 333 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1fae n THR 334 N -1.94 0.00 -2.73 6.66 -2.24 -0.45 -4.86 114.28 108.72 1fae n THR 334 Ca -0.01 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.34 1fae n THR 334 Cb 0.44 -0.57 -0.03 0.00 -2.10 0.00 0.00 70.33 68.07 1fae n THR 334 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1fae s ASP 335 N -2.47 7.14 0.42 3.42 -1.08 -0.68 -4.94 116.67 118.48 1fae s ASP 335 Ca 0.00 1.41 0.08 0.00 -0.52 0.00 0.00 52.55 53.51 1fae s ASP 335 Cb 0.00 -2.53 0.88 0.00 -1.46 0.00 0.00 42.92 39.81 1fae s ASP 335 CO 0.00 -0.49 2.06 0.00 0.52 0.00 0.00 175.17 177.26 1fae h ALA 336 N 7.24 1.72 0.00 3.66 0.00 -1.95 -2.36 119.26 127.57 1fae h ALA 336 Ca -0.27 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.56 1fae h ALA 336 Cb 1.12 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1fae h ALA 336 CO 0.88 0.26 -0.23 -0.91 0.00 0.00 0.00 179.25 179.25 1fae h ASN 337 N 0.52 0.00 -0.48 0.00 2.35 -1.93 -3.02 115.58 113.01 1fae h ASN 337 Ca 0.14 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.68 1fae h ASN 337 Cb -0.05 0.00 -0.12 0.00 0.05 0.00 0.00 38.32 38.20 1fae h ASN 337 CO -0.03 0.23 0.10 0.49 -1.65 0.00 0.00 177.43 176.57 1fae n PHE 338 N -3.67 1.54 -2.56 1.19 3.01 -0.90 -4.90 117.46 111.17 1fae n PHE 338 Ca -0.01 -1.47 -0.43 0.00 1.01 0.00 0.00 57.45 56.55 1fae n PHE 338 Cb 0.35 -0.56 -0.02 0.00 -0.01 0.00 0.00 39.48 39.24 1fae n PHE 338 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 1fae s LYS 339 N -3.16 4.25 0.46 -1.08 2.20 -1.15 -4.55 119.74 116.72 1fae s LYS 339 Ca 0.47 1.49 -0.25 0.00 -0.36 0.00 0.00 55.97 57.33 1fae s LYS 339 Cb 0.41 -3.70 -0.08 0.00 -1.51 0.00 0.00 37.83 32.96 1fae s LYS 339 CO 0.05 -0.67 1.35 -2.14 -0.36 0.00 0.00 175.35 173.58 1fae s PRO 340 N 3.34 3.66 0.38 4.03 0.02 -1.26 -4.93 135.00 140.24 1fae s PRO 340 Ca 0.49 2.24 0.06 0.00 0.02 0.00 0.00 61.00 63.81 1fae s PRO 340 Cb -0.18 -2.58 0.77 0.00 0.02 0.00 0.00 34.50 32.53 1fae s PRO 340 CO 0.10 -0.77 2.00 0.87 -0.33 0.00 0.00 177.00 178.86 1fae h LYS 341 N 2.22 0.55 -7.14 5.54 1.57 -1.94 -3.43 116.57 113.94 1fae h LYS 341 Ca -0.50 -0.06 -0.52 0.00 -1.87 0.00 0.00 60.65 57.70 1fae h LYS 341 Cb 1.27 -0.11 0.21 0.00 0.08 0.00 0.00 32.23 33.67 1fae h LYS 341 CO 0.61 0.43 -0.01 -1.13 -0.57 0.00 0.00 179.45 178.78 1fae n SER 342 N -4.41 -0.42 -0.16 0.86 3.41 -1.26 -4.93 113.62 106.71 1fae n SER 342 Ca 0.03 0.35 -0.09 0.00 -0.26 0.00 0.00 58.87 58.90 1fae n SER 342 Cb 0.12 -1.39 0.00 0.00 -0.26 0.00 0.00 64.21 62.68 1fae n SER 342 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1fae h SER 343 N -1.88 0.64 -0.39 4.04 4.64 -1.87 -3.26 113.55 115.46 1fae h SER 343 Ca -0.45 -0.19 0.00 0.00 -0.47 0.00 0.00 61.79 60.69 1fae h SER 343 Cb 1.28 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1fae h SER 343 CO 0.40 0.65 0.00 0.59 -0.87 0.00 0.00 176.83 177.60 1fae n ASN 344 N -4.57 3.24 0.01 4.97 5.03 -1.26 -4.77 115.26 117.90 1fae n ASN 344 Ca 0.01 -1.93 -0.11 0.00 0.87 0.00 0.00 54.58 53.42 1fae n ASN 344 Cb 0.17 -0.25 -0.07 0.00 -1.02 0.00 0.00 39.78 38.60 1fae n ASN 344 CO 0.00 0.00 0.00 1.23 -1.83 0.00 0.00 177.26 176.66 1fae h GLY 345 N 3.63 -1.21 0.99 7.41 0.00 -1.86 -0.49 103.07 111.54 1fae h GLY 345 Ca 0.00 0.67 -0.00 0.00 0.00 0.00 0.00 47.33 48.00 1fae h GLY 345 CO 0.00 -0.30 0.32 0.00 0.00 0.00 0.00 176.54 176.56 1fae h ALA 346 N -0.62 0.69 -0.05 3.60 0.00 -1.83 -2.64 119.26 118.41 1fae h ALA 346 Ca 0.02 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 1fae h ALA 346 Cb 0.51 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1fae h ALA 346 CO -0.31 0.19 -0.38 0.66 0.00 0.00 0.00 179.25 179.41 1fae h SER 347 N 0.73 0.10 0.01 0.00 4.64 -1.86 -1.71 113.55 115.46 1fae h SER 347 Ca 0.19 -0.04 -0.15 0.00 -0.47 0.00 0.00 61.79 61.32 1fae h SER 347 Cb 0.00 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.06 1fae h SER 347 CO -0.04 0.48 -0.51 0.44 -0.87 0.00 0.00 176.83 176.33 1fae h ASP 348 N 0.09 0.60 0.74 4.97 3.32 -0.94 -2.19 116.42 123.01 1fae h ASP 348 Ca 0.01 -0.31 -0.07 0.00 0.02 0.00 0.00 57.03 56.68 1fae h ASP 348 Cb 0.71 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.08 1fae h ASP 348 CO 0.05 1.00 -0.35 -0.50 -1.72 0.00 0.00 179.24 177.73 1fae h TRP 349 N 0.43 0.00 -0.11 4.55 4.06 -1.22 -0.33 115.95 123.33 1fae h TRP 349 Ca 0.02 0.00 -0.18 0.00 2.06 0.00 0.00 58.89 60.79 1fae h TRP 349 Cb 1.04 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.19 1fae h TRP 349 CO 0.04 0.35 -0.69 0.00 -3.56 0.00 0.00 178.44 174.58 1fae h ALA 350 N 1.65 0.59 -0.25 1.49 0.00 -1.05 -1.54 119.26 120.15 1fae h ALA 350 Ca -0.00 -0.58 -0.16 0.00 0.00 0.00 0.00 54.91 54.17 1fae h ALA 350 Cb 0.81 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1fae h ALA 350 CO 0.05 0.73 -0.49 0.87 0.00 0.00 0.00 179.25 180.41 1fae h LYS 351 N 0.34 0.67 -0.54 0.00 1.57 -0.86 -3.16 116.57 114.59 1fae h LYS 351 Ca -0.02 -0.39 -0.06 0.00 -1.87 0.00 0.00 60.65 58.30 1fae h LYS 351 Cb 1.26 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.58 1fae h LYS 351 CO 0.12 1.01 0.10 1.03 -0.57 0.00 0.00 179.45 181.15 1fae h SER 352 N 0.53 0.84 -0.37 0.86 0.87 -0.89 -2.16 113.55 113.23 1fae h SER 352 Ca 0.03 -0.25 0.07 0.00 -1.23 0.00 0.00 61.79 60.41 1fae h SER 352 Cb 1.04 -0.22 -0.07 0.00 -0.44 0.00 0.00 62.40 62.71 1fae h SER 352 CO 0.10 0.88 -0.04 0.25 -0.53 0.00 0.00 176.83 177.48 1fae h LEU 353 N 0.77 -0.25 -0.32 2.23 5.85 -1.25 0.27 115.31 122.61 1fae h LEU 353 Ca 0.17 0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.96 1fae h LEU 353 Cb 0.38 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 1fae h LEU 353 CO 0.01 -0.08 0.10 0.44 -0.34 0.00 0.00 178.44 178.57 1fae h ASP 354 N 0.05 0.47 -0.41 1.25 3.45 -1.51 -2.35 116.42 117.37 1fae h ASP 354 Ca 0.18 -0.20 -0.07 0.00 0.43 0.00 0.00 57.03 57.36 1fae h ASP 354 Cb 0.27 -0.12 -0.02 0.00 -0.56 0.00 0.00 39.33 38.89 1fae h ASP 354 CO -0.34 0.55 0.01 -0.09 -1.57 0.00 0.00 179.24 177.79 1fae h ARG 355 N 0.36 0.80 -0.35 3.56 9.65 -0.96 -2.30 114.38 125.14 1fae h ARG 355 Ca 0.10 -0.21 -0.04 0.00 -1.10 0.00 0.00 59.98 58.73 1fae h ARG 355 Cb 0.25 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 28.72 1fae h ARG 355 CO -0.00 0.80 0.05 1.96 2.80 0.00 0.00 179.97 185.58 1fae h GLN 356 N 0.75 0.59 -0.31 0.20 4.20 -0.32 -1.07 115.11 119.14 1fae h GLN 356 Ca 0.15 -0.16 -0.05 0.00 0.06 0.00 0.00 58.65 58.65 1fae h GLN 356 Cb 0.45 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.14 1fae h GLN 356 CO 0.02 0.66 -0.02 -0.07 -0.67 0.00 0.00 178.83 178.76 1fae h LEU 357 N 0.42 0.45 -0.54 1.46 3.38 -1.27 -1.53 115.31 117.68 1fae h LEU 357 Ca 0.11 -0.08 -0.13 0.00 0.09 0.00 0.00 57.88 57.86 1fae h LEU 357 Cb 0.36 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1fae h LEU 357 CO 0.01 0.53 -0.25 -0.33 0.09 0.00 0.00 178.44 178.48 1fae h GLU 358 N 0.46 0.91 -0.01 1.13 5.08 -1.14 -2.72 114.58 118.28 1fae h GLU 358 Ca 0.10 -0.40 -0.00 0.00 -1.00 0.00 0.00 59.36 58.06 1fae h GLU 358 Cb 0.33 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 1fae h GLU 358 CO 0.01 1.05 0.01 0.35 -1.00 0.00 0.00 179.01 179.43 1fae h PHE 359 N 0.78 0.02 -0.22 4.33 3.57 -0.30 -1.05 116.94 124.06 1fae h PHE 359 Ca 0.10 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.63 1fae h PHE 359 Cb 0.81 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.52 1fae h PHE 359 CO 0.05 0.09 0.03 1.88 -2.23 0.00 0.00 178.31 178.13 1fae h TYR 360 N -0.06 0.05 -0.66 0.41 -1.99 -1.32 -2.03 116.97 111.37 1fae h TYR 360 Ca 0.00 0.01 -0.03 0.00 2.00 0.00 0.00 58.73 60.72 1fae h TYR 360 Cb 0.08 0.01 -0.03 0.00 2.00 0.00 0.00 36.73 38.79 1fae h TYR 360 CO -0.05 0.01 0.31 0.37 -0.00 0.00 0.00 178.16 178.80 1fae h GLN 361 N 0.11 0.96 -0.53 4.88 5.75 -1.35 -2.18 115.11 122.75 1fae h GLN 361 Ca 0.10 -0.14 -0.01 0.00 -0.15 0.00 0.00 58.65 58.45 1fae h GLN 361 Cb 0.11 -0.17 -0.03 0.00 1.07 0.00 0.00 27.48 28.46 1fae h GLN 361 CO -0.15 0.77 0.30 2.35 -2.65 0.00 0.00 178.83 179.45 1fae h TRP 362 N 0.92 0.70 -0.00 3.99 7.01 -1.00 -2.80 115.95 124.78 1fae h TRP 362 Ca 0.23 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.22 1fae h TRP 362 Cb 0.13 -0.23 0.00 0.00 -2.10 0.00 0.00 29.16 26.96 1fae h TRP 362 CO 0.00 0.49 -0.16 1.28 -2.79 0.00 0.00 178.44 177.26 1fae n LEU 363 N -4.41 0.59 -4.66 0.65 4.77 -0.78 -4.73 117.00 108.43 1fae n LEU 363 Ca 0.05 -0.04 -0.43 0.00 -0.03 0.00 0.00 56.01 55.56 1fae n LEU 363 Cb 0.09 -0.19 -0.02 0.00 -2.33 0.00 0.00 43.42 40.97 1fae n LEU 363 CO 0.37 0.11 1.27 -1.58 -1.33 0.00 0.00 177.39 176.22 1fae s GLN 364 N -2.53 4.16 1.01 3.23 0.74 -0.86 -0.31 119.66 125.10 1fae s GLN 364 Ca 0.26 1.94 -0.14 0.00 0.05 0.00 0.00 55.36 57.47 1fae s GLN 364 Cb 0.20 -3.91 0.20 0.00 1.10 0.00 0.00 33.01 30.59 1fae s GLN 364 CO 0.50 -0.85 1.12 -1.54 -0.55 0.00 0.00 175.29 173.97 1fae s SER 365 N 2.95 2.53 0.24 6.67 1.04 -0.15 -4.61 113.70 122.38 1fae s SER 365 Ca 0.66 0.99 -0.04 0.00 0.48 0.00 0.00 55.95 58.04 1fae s SER 365 Cb -0.28 -1.54 0.41 0.00 0.10 0.00 0.00 66.02 64.72 1fae s SER 365 CO 0.24 -3.16 1.78 0.00 0.98 0.00 0.00 173.24 173.08 1fae h ALA 366 N -1.92 1.12 -0.02 5.32 0.00 -0.97 -2.40 119.26 120.40 1fae h ALA 366 Ca -0.52 0.06 -0.22 0.00 0.00 0.00 0.00 54.91 54.23 1fae h ALA 366 Cb 1.32 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1fae h ALA 366 CO 0.54 -0.03 -0.90 0.93 0.00 0.00 0.00 179.25 179.80 1fae h GLU 367 N 0.65 0.42 0.00 0.00 3.07 -1.90 -3.48 114.58 113.33 1fae h GLU 367 Ca 0.40 -0.43 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 1fae h GLU 367 Cb 0.46 0.12 0.00 0.00 -0.84 0.00 0.00 28.75 28.49 1fae h GLU 367 CO -0.30 1.09 0.00 0.41 -1.40 0.00 0.00 179.01 178.81 1fae n GLY 368 N 0.87 1.25 3.77 -3.84 0.00 -0.90 -4.50 105.19 101.83 1fae n GLY 368 Ca -0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 1fae n GLY 368 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fae s ALA 369 N -0.27 2.65 -0.13 4.61 0.00 -1.26 -4.33 121.76 123.03 1fae s ALA 369 Ca 0.00 0.89 -0.19 0.00 0.00 0.00 0.00 51.96 52.65 1fae s ALA 369 Cb 0.00 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 19.69 1fae s ALA 369 CO 0.00 -0.90 0.54 0.42 0.00 0.00 0.00 175.76 175.82 1fae s ILE 370 N -1.71 5.14 0.95 0.00 -1.09 -1.26 -0.98 121.20 122.24 1fae s ILE 370 Ca 0.74 1.07 -0.14 0.00 -2.23 0.00 0.00 60.65 60.09 1fae s ILE 370 Cb -0.26 -3.88 0.16 0.00 -1.58 0.00 0.00 42.46 36.91 1fae s ILE 370 CO 0.29 0.27 1.19 0.00 -1.23 0.00 0.00 174.94 175.46 1fae s ALA 371 N 0.90 1.89 0.00 9.38 0.00 0.58 -4.97 121.76 129.55 1fae s ALA 371 Ca 0.28 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.46 1fae s ALA 371 Cb -0.16 -2.93 0.00 0.00 0.00 0.00 0.00 23.12 20.03 1fae s ALA 371 CO 0.12 -2.40 0.44 0.41 0.00 0.00 0.00 175.76 174.32 1fae n GLY 372 N -2.63 -3.13 0.00 0.00 0.00 -1.24 -4.61 105.19 93.57 1fae n GLY 372 Ca 0.10 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.62 1fae n GLY 372 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fae n GLY 373 N -0.75 -0.67 3.36 -0.02 0.00 -0.84 -1.26 105.19 105.02 1fae n GLY 373 Ca 0.00 -0.48 -0.09 0.00 0.00 0.00 0.00 46.02 45.45 1fae n GLY 373 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fae s ALA 374 N -1.00 -0.34 0.03 4.61 0.00 -0.61 -1.32 121.76 123.13 1fae s ALA 374 Ca 0.00 -0.61 0.01 0.00 0.00 0.00 0.00 51.96 51.36 1fae s ALA 374 Cb 0.00 0.79 -0.02 0.00 0.00 0.00 0.00 23.12 23.89 1fae s ALA 374 CO 0.00 -0.66 -0.06 -0.08 0.00 0.00 0.00 175.76 174.96 1fae s THR 375 N -3.91 0.35 -2.88 0.00 -1.32 -0.68 -0.54 115.64 106.65 1fae s THR 375 Ca 0.12 -0.93 0.24 0.00 -1.21 0.00 0.00 61.69 59.92 1fae s THR 375 Cb 0.02 -0.44 0.21 0.00 -1.51 0.00 0.00 72.50 70.79 1fae s THR 375 CO -0.03 -0.39 1.30 -3.20 -2.21 0.00 0.00 174.62 170.09 1fae n ASN 376 N 1.66 2.77 -3.74 8.08 5.15 -0.55 -2.42 115.26 126.21 1fae n ASN 376 Ca -0.22 -1.91 -0.30 0.00 -0.60 0.00 0.00 54.58 51.55 1fae n ASN 376 Cb 0.55 0.03 -0.13 0.00 -0.53 0.00 0.00 39.78 39.70 1fae n ASN 376 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1fae s SER 377 N -2.03 3.76 0.17 1.20 0.15 -1.26 -4.71 113.70 110.97 1fae s SER 377 Ca 0.28 -2.61 -0.32 0.00 0.70 0.00 0.00 55.95 54.01 1fae s SER 377 Cb 0.20 -1.10 -0.11 0.00 -1.71 0.00 0.00 66.02 63.30 1fae s SER 377 CO 0.32 -0.27 1.75 0.86 1.20 0.00 0.00 173.24 177.11 1fae s TRP 378 N 0.36 2.61 -1.11 3.44 -0.11 -1.26 -0.76 118.94 122.10 1fae s TRP 378 Ca 0.17 0.21 0.00 0.00 1.22 0.00 0.00 56.10 57.70 1fae s TRP 378 Cb -0.24 -4.14 0.00 0.00 -1.50 0.00 0.00 33.47 27.59 1fae s TRP 378 CO -0.01 -4.47 0.00 0.09 -4.62 0.00 0.00 176.95 167.94 1fae n ASN 379 N 4.69 -5.64 -0.84 5.86 3.02 -1.26 -2.13 115.26 118.95 1fae n ASN 379 Ca 0.16 0.26 -0.11 0.00 -0.03 0.00 0.00 54.58 54.87 1fae n ASN 379 Cb 0.37 -4.13 -0.05 0.00 -0.61 0.00 0.00 39.78 35.36 1fae n ASN 379 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1fae n GLY 380 N 0.29 1.19 0.46 7.41 0.00 0.06 -4.60 105.19 110.00 1fae n GLY 380 Ca -0.10 -0.33 0.02 0.00 0.00 0.00 0.00 46.02 45.61 1fae n GLY 380 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fae n ARG 381 N -2.24 0.29 -3.87 1.61 1.74 -0.91 -2.31 116.66 110.97 1fae n ARG 381 Ca -0.11 -1.41 -0.28 0.00 -0.77 0.00 0.00 57.85 55.28 1fae n ARG 381 Cb 0.42 -0.70 0.02 0.00 -1.02 0.00 0.00 32.46 31.18 1fae n ARG 381 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1fae n TYR 382 N -0.29 -2.13 -2.02 -1.55 4.02 -1.14 -4.92 117.16 109.12 1fae n TYR 382 Ca 0.04 0.87 -0.28 0.00 -0.01 0.00 0.00 57.90 58.53 1fae n TYR 382 Cb 0.71 -4.04 0.08 0.00 -0.02 0.00 0.00 39.34 36.07 1fae n TYR 382 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 1fae s GLU 383 N -6.45 2.03 0.22 -0.72 2.02 -1.02 -4.81 118.70 109.97 1fae s GLU 383 Ca 0.44 -0.04 -0.30 0.00 0.02 0.00 0.00 54.97 55.09 1fae s GLU 383 Cb -0.22 -2.03 -0.09 0.00 0.10 0.00 0.00 34.13 31.88 1fae s GLU 383 CO 0.83 -1.48 1.38 0.00 0.02 0.00 0.00 175.26 176.02 1fae s ALA 384 N -3.46 3.59 -0.16 5.21 0.00 -1.26 -4.29 121.76 121.39 1fae s ALA 384 Ca 0.61 1.22 -0.29 0.00 0.00 0.00 0.00 51.96 53.50 1fae s ALA 384 Cb -0.11 -3.52 -0.02 0.00 0.00 0.00 0.00 23.12 19.47 1fae s ALA 384 CO 0.47 -0.64 1.29 0.08 0.00 0.00 0.00 175.76 176.96 1fae s VAL 385 N 0.14 4.23 1.09 0.00 1.01 -1.26 -4.98 120.40 120.63 1fae s VAL 385 Ca 0.59 1.48 -0.14 0.00 0.00 0.00 0.00 61.98 63.91 1fae s VAL 385 Cb -0.39 -3.96 0.17 0.00 0.00 0.00 0.00 36.38 32.20 1fae s VAL 385 CO 0.40 -0.14 0.62 -0.81 0.00 0.00 0.00 175.10 175.18 1fae n PRO 386 N 6.66 -1.58 0.00 2.72 -0.04 -1.26 -4.89 135.00 136.61 1fae n PRO 386 Ca 0.14 -0.43 0.00 0.00 -0.04 0.00 0.00 63.50 63.17 1fae n PRO 386 Cb 0.45 -2.00 0.00 0.00 -0.04 0.00 0.00 33.50 31.90 1fae n PRO 386 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1fae n SER 387 N -3.28 0.00 -2.85 3.54 3.41 -1.26 -2.70 113.62 110.48 1fae n SER 387 Ca 0.04 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.31 1fae n SER 387 Cb 0.56 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.53 1fae n SER 387 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1fae n GLY 388 N 0.00 5.77 3.69 5.00 0.00 -1.26 -4.99 105.19 113.40 1fae n GLY 388 Ca 0.00 -2.62 -0.42 0.00 0.00 0.00 0.00 46.02 42.98 1fae n GLY 388 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1fae s THR 389 N -5.10 4.41 0.56 2.61 2.01 -1.10 -5.01 115.64 114.03 1fae s THR 389 Ca 0.49 1.72 -0.19 0.00 0.31 0.00 0.00 61.69 64.03 1fae s THR 389 Cb 0.38 -4.11 -0.05 0.00 0.01 0.00 0.00 72.50 68.74 1fae s THR 389 CO -0.28 0.03 1.12 -0.94 -0.69 0.00 0.00 174.62 173.86 1fae s SER 390 N 1.29 5.65 0.23 3.53 1.04 -1.26 -4.85 113.70 119.33 1fae s SER 390 Ca 0.54 2.13 0.07 0.00 0.48 0.00 0.00 55.95 59.16 1fae s SER 390 Cb -0.23 -2.57 -0.05 0.00 0.10 0.00 0.00 66.02 63.26 1fae s SER 390 CO 0.22 -1.26 -0.10 0.42 0.98 0.00 0.00 173.24 173.50 1fae s THR 391 N -1.89 1.63 -0.25 2.02 -4.23 -1.26 -0.88 115.64 110.77 1fae s THR 391 Ca 0.71 -2.16 -0.03 0.00 -1.18 0.00 0.00 61.69 59.04 1fae s THR 391 Cb -0.23 -2.21 0.08 0.00 1.34 0.00 0.00 72.50 71.49 1fae s THR 391 CO 0.29 -0.47 0.08 0.12 -0.54 0.00 0.00 174.62 174.10 1fae s PHE 392 N -3.04 1.05 -1.38 3.99 5.36 0.62 -1.87 117.98 122.71 1fae s PHE 392 Ca 0.25 -1.12 -0.09 0.00 -0.96 0.00 0.00 56.93 55.00 1fae s PHE 392 Cb 0.01 -1.21 0.02 0.00 -0.34 0.00 0.00 43.02 41.51 1fae s PHE 392 CO 0.09 -0.74 1.15 0.66 -1.46 0.00 0.00 175.22 174.91 1fae n TYR 393 N 5.04 -2.77 -0.14 10.12 4.02 -1.26 -1.50 117.16 130.66 1fae n TYR 393 Ca -0.06 1.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.83 1fae n TYR 393 Cb 0.44 -4.87 0.00 0.00 -0.02 0.00 0.00 39.34 34.90 1fae n TYR 393 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1fae n GLY 394 N -1.93 2.04 3.73 2.72 0.00 -1.26 -3.85 105.19 106.64 1fae n GLY 394 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 1fae n GLY 394 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1fae s MET 395 N -0.23 4.29 0.33 1.61 -1.94 -0.56 -4.40 119.30 118.39 1fae s MET 395 Ca 0.00 0.42 -0.27 0.00 -1.71 0.00 0.00 55.69 54.13 1fae s MET 395 Cb 0.00 -3.41 -0.09 0.00 2.01 0.00 0.00 34.83 33.34 1fae s MET 395 CO 0.00 0.22 1.06 0.20 -0.01 0.00 0.00 175.02 176.50 1fae s GLY 396 N 0.42 2.92 0.31 -0.03 0.00 -1.02 -0.28 107.32 109.64 1fae s GLY 396 Ca 0.25 0.79 -0.29 0.00 0.00 0.00 0.00 44.72 45.47 1fae s GLY 396 CO 0.10 1.31 1.29 -0.47 0.00 0.00 0.00 173.10 175.33 1fae s TYR 397 N -1.39 3.12 -0.06 1.90 5.04 -0.06 -1.69 117.35 124.21 1fae s TYR 397 Ca 0.50 1.41 0.01 0.00 -2.44 0.00 0.00 57.07 56.56 1fae s TYR 397 Cb -0.27 -3.64 0.02 0.00 0.35 0.00 0.00 41.96 38.42 1fae s TYR 397 CO 0.34 -1.76 -0.07 0.14 -1.34 0.00 0.00 175.55 172.85 1fae s VAL 398 N -0.98 0.79 0.19 3.14 -7.23 -0.44 -4.90 120.40 110.98 1fae s VAL 398 Ca 0.50 -0.26 -0.08 0.00 -1.81 0.00 0.00 61.98 60.33 1fae s VAL 398 Cb -0.39 -0.77 0.06 0.00 0.56 0.00 0.00 36.38 35.84 1fae s VAL 398 CO 0.50 0.28 1.64 -0.08 -0.31 0.00 0.00 175.10 177.13 1fae h GLU 399 N 7.20 1.02 -2.68 4.82 4.81 -1.96 -2.23 114.58 125.56 1fae h GLU 399 Ca -0.34 -0.34 -0.60 0.00 -0.13 0.00 0.00 59.36 57.95 1fae h GLU 399 Cb 1.16 -0.08 -0.39 0.00 0.63 0.00 0.00 28.75 30.07 1fae h GLU 399 CO 0.46 1.03 -0.82 -0.80 -0.73 0.00 0.00 179.01 178.15 1fae s ASN 400 N -6.62 2.82 0.31 1.04 0.01 -1.26 -3.71 114.94 107.53 1fae s ASN 400 Ca -0.11 -3.03 -0.29 0.00 -0.71 0.00 0.00 52.86 48.72 1fae s ASN 400 Cb 0.13 -0.81 -0.13 0.00 0.41 0.00 0.00 41.25 40.85 1fae s ASN 400 CO 0.86 -0.19 1.28 -2.65 -1.51 0.00 0.00 177.10 174.89 1fae n PRO 401 N 2.96 2.01 0.00 -0.60 -0.02 -1.26 -3.98 135.00 134.10 1fae n PRO 401 Ca 0.21 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.39 1fae n PRO 401 Cb 0.41 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 1fae n PRO 401 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1fae n VAL 402 N 0.70 0.00 -5.19 -1.45 0.31 -1.26 -4.53 118.33 106.91 1fae n VAL 402 Ca 0.07 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.09 1fae n VAL 402 Cb 0.34 0.00 -0.15 0.00 -0.91 0.00 0.00 33.84 33.12 1fae n VAL 402 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1fae s TYR 403 N 0.00 2.42 0.00 3.52 4.12 -1.26 -3.53 117.35 122.63 1fae s TYR 403 Ca 0.00 -0.37 0.00 0.00 0.02 0.00 0.00 57.07 56.72 1fae s TYR 403 Cb 0.00 -1.52 0.00 0.00 -1.52 0.00 0.00 41.96 38.92 1fae s TYR 403 CO 0.00 0.02 0.43 0.00 0.02 0.00 0.00 175.55 176.02 1fae n ALA 404 N 2.37 2.29 -3.47 3.71 0.00 -0.42 -1.85 120.51 123.15 1fae n ALA 404 Ca -0.16 -0.43 -0.27 0.00 0.00 0.00 0.00 53.44 52.58 1fae n ALA 404 Cb 0.51 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.86 1fae n ALA 404 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1fae n ASP 405 N -0.08 0.58 -4.77 0.00 2.03 -1.23 -3.27 116.55 109.81 1fae n ASP 405 Ca 0.00 -2.66 -0.25 0.00 0.52 0.00 0.00 54.79 52.40 1fae n ASP 405 Cb 0.02 -0.61 0.09 0.00 -0.72 0.00 0.00 41.12 39.89 1fae n ASP 405 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1fae s PRO 406 N -0.59 1.92 0.22 -0.67 0.04 -1.26 -4.27 135.00 130.39 1fae s PRO 406 Ca 0.32 -0.55 -0.32 0.00 0.04 0.00 0.00 61.00 60.49 1fae s PRO 406 Cb 0.05 -2.21 -0.12 0.00 0.04 0.00 0.00 34.50 32.25 1fae s PRO 406 CO -0.17 -1.36 1.66 0.41 0.04 0.00 0.00 177.00 177.58 1fae n GLY 407 N -2.93 1.40 0.33 0.56 0.00 -1.20 -4.81 105.19 98.54 1fae n GLY 407 Ca 0.11 0.59 0.21 0.00 0.00 0.00 0.00 46.02 46.93 1fae n GLY 407 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1fae h SER 408 N 6.16 0.00 -0.49 1.61 4.64 -1.60 -2.13 113.55 121.74 1fae h SER 408 Ca -0.44 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 60.65 1fae h SER 408 Cb 1.22 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.17 1fae h SER 408 CO 0.91 0.00 0.09 -3.20 -0.87 0.00 0.00 176.83 173.76 1fae n ASN 409 N -3.24 2.98 -0.00 4.97 4.05 -1.26 -4.47 115.26 118.29 1fae n ASN 409 Ca -0.03 -3.64 0.10 0.00 0.45 0.00 0.00 54.58 51.46 1fae n ASN 409 Cb 0.08 -0.67 -0.12 0.00 1.23 0.00 0.00 39.78 40.30 1fae n ASN 409 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 177.26 174.56 1fae n THR 410 N -1.02 0.00 -3.17 -0.44 -2.24 -0.80 -4.79 114.28 101.82 1fae n THR 410 Ca 0.38 -0.08 -0.39 0.00 -2.27 0.00 0.00 64.05 61.69 1fae n THR 410 Cb 1.16 0.89 -0.06 0.00 -2.10 0.00 0.00 70.33 70.23 1fae n THR 410 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1fae s TRP 411 N -2.96 3.46 0.43 4.78 -0.00 -1.26 -0.77 118.94 122.62 1fae s TRP 411 Ca 0.06 0.98 0.21 0.00 -0.00 0.00 0.00 56.10 57.35 1fae s TRP 411 Cb 0.15 -2.71 1.24 0.00 -0.00 0.00 0.00 33.47 32.14 1fae s TRP 411 CO 0.83 -0.00 2.03 0.35 -0.00 0.00 0.00 176.95 180.16 1fae h PHE 412 N 7.08 0.00 -0.95 5.86 3.57 -1.69 -3.07 116.94 127.73 1fae h PHE 412 Ca -0.37 0.00 0.23 0.00 3.53 0.00 0.00 57.97 61.36 1fae h PHE 412 Cb 1.17 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 39.84 1fae h PHE 412 CO 0.67 0.16 0.63 0.78 -2.23 0.00 0.00 178.31 178.32 1fae h GLY 413 N 0.71 0.83 1.30 2.40 0.00 -1.90 0.85 103.07 107.27 1fae h GLY 413 Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.17 1fae h GLY 413 CO 0.02 -0.04 0.46 -0.33 0.00 0.00 0.00 176.54 176.65 1fae h MET 414 N 0.35 0.94 0.15 4.80 2.86 -1.91 -1.46 114.93 120.66 1fae h MET 414 Ca 0.50 -0.06 0.01 0.00 -2.06 0.00 0.00 59.70 58.09 1fae h MET 414 Cb 1.35 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 32.78 1fae h MET 414 CO -0.18 0.63 -0.21 1.96 1.06 0.00 0.00 176.91 180.17 1fae h GLN 415 N 0.96 -0.40 -0.17 1.72 1.08 -1.04 -2.58 115.11 114.68 1fae h GLN 415 Ca 0.26 0.03 -0.16 0.00 -1.45 0.00 0.00 58.65 57.32 1fae h GLN 415 Cb -0.09 0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1fae h GLN 415 CO -0.05 -0.26 -0.52 -0.39 -0.95 0.00 0.00 178.83 176.65 1fae h VAL 416 N -0.41 1.32 -0.51 -0.54 -1.51 -1.54 -1.61 116.25 111.46 1fae h VAL 416 Ca 0.02 -1.76 0.03 0.00 -1.23 0.00 0.00 66.70 63.76 1fae h VAL 416 Cb 0.41 1.95 -0.04 0.00 -2.13 0.00 0.00 31.29 31.49 1fae h VAL 416 CO -0.09 0.55 0.28 -0.50 -1.23 0.00 0.00 177.57 176.58 1fae h TRP 417 N 0.34 0.51 -0.01 5.19 4.06 -1.30 -1.45 115.95 123.29 1fae h TRP 417 Ca -0.02 0.02 -0.09 0.00 2.06 0.00 0.00 58.89 60.86 1fae h TRP 417 Cb 1.14 -0.16 0.01 0.00 -1.00 0.00 0.00 29.16 29.15 1fae h TRP 417 CO 0.09 0.27 -0.35 1.03 -3.56 0.00 0.00 178.44 175.93 1fae h SER 418 N 0.55 0.32 0.71 -3.49 0.87 -1.52 -3.27 113.55 107.72 1fae h SER 418 Ca 0.21 -0.76 -0.00 0.00 -1.23 0.00 0.00 61.79 60.01 1fae h SER 418 Cb 0.08 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 61.94 1fae h SER 418 CO -0.13 1.03 -0.01 0.24 -0.53 0.00 0.00 176.83 177.44 1fae h MET 419 N -0.37 0.00 -0.63 2.24 2.86 -1.26 -2.55 114.93 115.22 1fae h MET 419 Ca -0.04 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.55 1fae h MET 419 Cb 1.08 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.71 1fae h MET 419 CO 0.07 0.01 0.18 0.37 1.06 0.00 0.00 176.91 178.59 1fae h GLN 420 N 0.00 0.97 -0.34 1.72 -0.00 -1.31 -0.55 115.11 115.61 1fae h GLN 420 Ca -0.00 -0.20 -0.13 0.00 -0.00 0.00 0.00 58.65 58.32 1fae h GLN 420 Cb 0.36 -0.14 -0.01 0.00 0.00 0.00 0.00 27.48 27.69 1fae h GLN 420 CO 0.00 0.85 -0.32 0.00 0.00 0.00 0.00 178.83 179.36 1fae h ARG 421 N 0.93 0.74 -0.47 1.69 3.08 -1.56 -1.10 114.38 117.69 1fae h ARG 421 Ca 0.20 -0.34 -0.10 0.00 0.07 0.00 0.00 59.98 59.81 1fae h ARG 421 Cb 0.30 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 1fae h ARG 421 CO -0.00 0.96 -0.11 0.28 -1.07 0.00 0.00 179.97 180.02 1fae h VAL 422 N 0.62 1.26 -0.64 2.04 2.07 -1.43 -2.19 116.25 117.99 1fae h VAL 422 Ca 0.07 -1.20 -0.08 0.00 0.82 0.00 0.00 66.70 66.30 1fae h VAL 422 Cb 0.85 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 1fae h VAL 422 CO 0.07 0.42 0.06 0.00 0.02 0.00 0.00 177.57 178.14 1fae h ALA 423 N 1.10 0.91 -0.64 1.67 0.00 -0.70 -0.86 119.26 120.74 1fae h ALA 423 Ca 0.13 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 1fae h ALA 423 Cb 0.62 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1fae h ALA 423 CO 0.04 0.66 0.19 0.93 0.00 0.00 0.00 179.25 181.08 1fae h GLU 424 N 1.00 1.00 -0.18 0.00 5.08 -1.04 -0.77 114.58 119.66 1fae h GLU 424 Ca 0.19 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1fae h GLU 424 Cb 0.48 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1fae h GLU 424 CO 0.02 0.88 0.08 1.25 -1.00 0.00 0.00 179.01 180.24 1fae h LEU 425 N 0.93 0.24 -0.72 1.33 5.85 -1.10 -1.36 115.31 120.48 1fae h LEU 425 Ca 0.21 -0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.78 1fae h LEU 425 Cb 0.31 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 1fae h LEU 425 CO -0.00 0.32 0.47 0.22 -0.34 0.00 0.00 178.44 179.11 1fae h TYR 426 N 0.14 0.90 -0.31 1.25 3.20 -1.08 -0.26 116.97 120.81 1fae h TYR 426 Ca 0.06 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.96 1fae h TYR 426 Cb 0.15 -0.31 -0.02 0.00 1.54 0.00 0.00 36.73 38.10 1fae h TYR 426 CO -0.02 0.57 0.20 -0.92 -1.64 0.00 0.00 178.16 176.36 1fae h TYR 427 N 0.97 0.38 -0.11 -3.82 3.20 -0.85 0.35 116.97 117.10 1fae h TYR 427 Ca 0.26 0.01 -0.18 0.00 3.14 0.00 0.00 58.73 61.96 1fae h TYR 427 Cb -0.11 -0.13 -0.00 0.00 1.54 0.00 0.00 36.73 38.03 1fae h TYR 427 CO -0.02 0.24 -0.69 0.87 -1.64 0.00 0.00 178.16 176.92 1fae h LYS 428 N 0.42 0.48 0.00 1.82 1.79 -1.01 -3.39 116.57 116.67 1fae h LYS 428 Ca 0.12 -0.37 0.00 0.00 -2.18 0.00 0.00 60.65 58.22 1fae h LYS 428 Cb -0.04 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 30.68 1fae h LYS 428 CO -0.03 0.99 -1.06 0.25 -1.08 0.00 0.00 179.45 178.53 1fae n THR 429 N -3.88 0.00 -1.14 -0.16 -2.24 -0.13 -5.00 114.28 101.73 1fae n THR 429 Ca -0.04 -0.10 -0.05 0.00 -2.27 0.00 0.00 64.05 61.59 1fae n THR 429 Cb 0.68 0.48 -0.02 0.00 -2.10 0.00 0.00 70.33 69.37 1fae n THR 429 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1fae n GLY 430 N 2.22 0.72 3.67 3.38 0.00 0.12 -4.92 105.19 110.38 1fae n GLY 430 Ca -0.00 -0.38 -0.56 0.00 0.00 0.00 0.00 46.02 45.07 1fae n GLY 430 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1fae n ASP 431 N 0.21 2.07 -0.21 1.61 2.03 -1.26 -4.85 116.55 116.15 1fae n ASP 431 Ca -0.05 1.09 0.08 0.00 0.52 0.00 0.00 54.79 56.44 1fae n ASP 431 Cb 0.24 -1.14 0.36 0.00 -0.72 0.00 0.00 41.12 39.86 1fae n ASP 431 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1fae h ALA 432 N 6.25 1.75 -0.37 -1.67 0.00 -1.98 -1.48 119.26 121.76 1fae h ALA 432 Ca -0.47 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.36 1fae h ALA 432 Cb 1.33 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1fae h ALA 432 CO 0.90 0.09 -0.03 0.00 0.00 0.00 0.00 179.25 180.22 1fae h ARG 433 N 0.73 0.68 -0.58 0.00 3.08 -2.00 -1.99 114.38 114.30 1fae h ARG 433 Ca 0.36 -0.23 -0.04 0.00 0.07 0.00 0.00 59.98 60.14 1fae h ARG 433 Cb 0.41 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.38 1fae h ARG 433 CO -0.13 0.80 0.22 0.00 -1.07 0.00 0.00 179.97 179.78 1fae h ALA 434 N 0.86 0.75 0.09 0.04 0.00 -1.77 -2.59 119.26 116.64 1fae h ALA 434 Ca 0.10 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1fae h ALA 434 Cb 0.51 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1fae h ALA 434 CO 0.02 0.38 -0.05 -0.22 0.00 0.00 0.00 179.25 179.39 1fae h LYS 435 N 0.80 -0.12 -0.81 0.00 3.64 -1.19 -0.95 116.57 117.94 1fae h LYS 435 Ca 0.19 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.66 1fae h LYS 435 Cb 0.22 0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 32.00 1fae h LYS 435 CO -0.01 -0.08 0.47 0.87 -2.27 0.00 0.00 179.45 178.43 1fae h LYS 436 N -0.12 0.80 0.02 1.90 1.57 -1.28 0.68 116.57 120.13 1fae h LYS 436 Ca -0.01 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1fae h LYS 436 Cb 0.10 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.23 1fae h LYS 436 CO 0.02 0.53 -0.01 -0.07 -0.57 0.00 0.00 179.45 179.35 1fae h LEU 437 N 0.82 -0.02 -0.60 2.94 3.38 -1.19 -3.18 115.31 117.46 1fae h LEU 437 Ca 0.38 -0.21 -0.10 0.00 0.09 0.00 0.00 57.88 58.04 1fae h LEU 437 Cb 0.30 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1fae h LEU 437 CO -0.22 0.20 -0.00 -0.07 0.09 0.00 0.00 178.44 178.44 1fae h LEU 438 N -0.24 1.05 -0.58 1.67 3.38 -0.84 -1.52 115.31 118.23 1fae h LEU 438 Ca -0.00 -0.31 0.08 0.00 0.09 0.00 0.00 57.88 57.75 1fae h LEU 438 Cb 0.23 -0.28 -0.07 0.00 0.09 0.00 0.00 40.66 40.63 1fae h LEU 438 CO 0.00 1.10 0.22 0.44 0.09 0.00 0.00 178.44 180.29 1fae h ASP 439 N 0.97 0.23 -0.04 -0.43 3.32 -0.91 0.13 116.42 119.69 1fae h ASP 439 Ca 0.17 0.07 -0.19 0.00 0.02 0.00 0.00 57.03 57.10 1fae h ASP 439 Cb 0.56 0.05 0.01 0.00 0.22 0.00 0.00 39.33 40.17 1fae h ASP 439 CO 0.03 0.15 -0.72 0.50 -1.72 0.00 0.00 179.24 177.48 1fae h LYS 440 N 0.41 0.55 -0.33 3.56 3.64 -1.52 -2.93 116.57 119.95 1fae h LYS 440 Ca 0.29 -0.54 -0.04 0.00 -1.27 0.00 0.00 60.65 59.08 1fae h LYS 440 Cb 0.33 0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 1fae h LYS 440 CO -0.28 1.17 0.03 2.35 -2.27 0.00 0.00 179.45 180.45 1fae h TRP 441 N 0.13 0.60 -0.79 1.91 7.01 -1.03 -2.71 115.95 121.07 1fae h TRP 441 Ca -0.08 -0.09 0.00 0.00 2.11 0.00 0.00 58.89 60.83 1fae h TRP 441 Cb 1.39 -0.16 -0.04 0.00 -2.10 0.00 0.00 29.16 28.25 1fae h TRP 441 CO 0.12 0.65 0.51 0.00 -2.79 0.00 0.00 178.44 176.93 1fae h ALA 442 N 0.87 1.01 -1.01 2.65 0.00 -0.84 -1.62 119.26 120.32 1fae h ALA 442 Ca 0.10 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1fae h ALA 442 Cb 0.39 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 1fae h ALA 442 CO 0.01 0.44 0.67 -0.22 0.00 0.00 0.00 179.25 180.15 1fae h LYS 443 N 1.08 1.33 0.56 0.00 3.64 -1.41 -0.06 116.57 121.70 1fae h LYS 443 Ca 0.29 -0.08 -0.03 0.00 -1.27 0.00 0.00 60.65 59.56 1fae h LYS 443 Cb -0.09 -0.30 0.01 0.00 -0.41 0.00 0.00 32.23 31.43 1fae h LYS 443 CO -0.06 0.88 -0.27 2.35 -2.27 0.00 0.00 179.45 180.08 1fae h TRP 444 N 1.37 -0.69 -0.09 1.91 7.01 -1.08 -3.11 115.95 121.26 1fae h TRP 444 Ca 0.37 -0.02 -0.07 0.00 2.11 0.00 0.00 58.89 61.29 1fae h TRP 444 Cb -0.16 0.23 -0.01 0.00 -2.10 0.00 0.00 29.16 27.12 1fae h TRP 444 CO -0.00 -0.37 -0.24 0.97 -2.79 0.00 0.00 178.44 176.01 1fae h ILE 445 N -0.92 1.22 0.00 2.65 6.09 -1.16 -2.30 117.51 123.09 1fae h ILE 445 Ca -0.08 -1.01 -0.03 0.00 -1.37 0.00 0.00 64.86 62.37 1fae h ILE 445 Cb 0.63 1.42 -0.00 0.00 0.47 0.00 0.00 36.82 39.34 1fae h ILE 445 CO 0.13 0.30 -0.16 0.78 -3.07 0.00 0.00 178.15 176.12 1fae h ASN 446 N 0.15 0.00 0.23 2.19 2.35 -1.04 -0.28 115.58 119.18 1fae h ASN 446 Ca 0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1fae h ASN 446 Cb 0.51 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.88 1fae h ASN 446 CO 0.04 0.16 -0.11 0.61 -1.65 0.00 0.00 177.43 176.48 1fae n GLY 447 N -0.67 -0.70 0.59 2.83 0.00 -0.87 -3.75 105.19 102.61 1fae n GLY 447 Ca -0.02 -0.32 0.08 0.00 0.00 0.00 0.00 46.02 45.76 1fae n GLY 447 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1fae n GLU 448 N -0.68 1.14 -3.12 1.61 -0.58 -0.13 -4.95 120.64 113.92 1fae n GLU 448 Ca 0.16 -1.38 -0.40 0.00 -0.42 0.00 0.00 57.16 55.12 1fae n GLU 448 Cb 0.29 -1.29 -0.06 0.00 -0.57 0.00 0.00 31.44 29.81 1fae n GLU 448 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1fae s ILE 449 N -1.29 5.03 -0.22 -3.67 1.01 -1.11 -4.36 121.20 116.59 1fae s ILE 449 Ca 0.17 1.20 -0.02 0.00 0.00 0.00 0.00 60.65 62.00 1fae s ILE 449 Cb 0.13 -3.95 0.01 0.00 0.01 0.00 0.00 42.46 38.66 1fae s ILE 449 CO 0.20 0.13 -0.08 -0.54 0.00 0.00 0.00 174.94 174.64 1fae s LYS 450 N 1.79 3.13 -0.19 2.79 3.01 -0.45 -5.01 119.74 124.82 1fae s LYS 450 Ca 0.29 -0.77 -0.08 0.00 -1.01 0.00 0.00 55.97 54.40 1fae s LYS 450 Cb -0.16 -2.91 -0.04 0.00 -1.01 0.00 0.00 37.83 33.71 1fae s LYS 450 CO 0.11 -0.26 0.07 -0.06 0.51 0.00 0.00 175.35 175.71 1fae s PHE 451 N 1.39 3.24 0.25 3.18 0.40 -1.26 -0.73 117.98 124.46 1fae s PHE 451 Ca 0.04 0.05 -0.00 0.00 -0.60 0.00 0.00 56.93 56.42 1fae s PHE 451 Cb -0.15 -2.09 -0.04 0.00 0.51 0.00 0.00 43.02 41.25 1fae s PHE 451 CO -0.06 0.12 0.44 -0.80 0.70 0.00 0.00 175.22 175.63 1fae s ASN 452 N 0.46 6.36 0.58 1.36 0.01 -0.50 -5.00 114.94 118.21 1fae s ASN 452 Ca 0.03 0.41 0.28 0.00 -0.71 0.00 0.00 52.86 52.88 1fae s ASN 452 Cb -0.13 -2.01 1.75 0.00 0.41 0.00 0.00 41.25 41.27 1fae s ASN 452 CO 0.01 -0.12 2.22 0.00 -1.51 0.00 0.00 177.10 177.69 1fae h ALA 453 N 1.58 1.62 -0.38 0.60 0.00 -1.99 -2.22 119.26 118.47 1fae h ALA 453 Ca -0.49 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1fae h ALA 453 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1fae h ALA 453 CO 0.65 -0.05 0.00 -0.40 0.00 0.00 0.00 179.25 179.45 1fae n ASP 454 N -3.90 2.44 0.00 0.00 5.75 -1.26 -4.91 116.55 114.66 1fae n ASP 454 Ca -0.02 -2.10 0.00 0.00 -0.01 0.00 0.00 54.79 52.65 1fae n ASP 454 Cb 0.13 -0.34 0.00 0.00 -1.03 0.00 0.00 41.12 39.88 1fae n ASP 454 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1fae n GLY 455 N 0.97 1.90 3.93 6.12 0.00 -0.83 -5.05 105.19 112.23 1fae n GLY 455 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 1fae n GLY 455 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1fae s THR 456 N -2.33 2.03 0.25 2.61 -4.23 -1.26 -4.79 115.64 107.92 1fae s THR 456 Ca 0.00 -0.06 -0.16 0.00 -1.18 0.00 0.00 61.69 60.30 1fae s THR 456 Cb 0.00 -2.97 0.01 0.00 1.34 0.00 0.00 72.50 70.87 1fae s THR 456 CO 0.00 0.00 0.55 0.72 -0.54 0.00 0.00 174.62 175.35 1fae s PHE 457 N -3.69 0.15 -0.01 3.99 -0.12 -1.26 -1.42 117.98 115.62 1fae s PHE 457 Ca 0.69 -0.54 -0.05 0.00 -0.05 0.00 0.00 56.93 56.98 1fae s PHE 457 Cb -0.07 0.35 0.00 0.00 -0.63 0.00 0.00 43.02 42.68 1fae s PHE 457 CO 0.51 -1.05 0.10 -0.65 -0.05 0.00 0.00 175.22 174.08 1fae s GLN 458 N -3.97 0.34 0.18 1.99 -0.21 0.09 -4.58 119.66 113.50 1fae s GLN 458 Ca 0.18 -0.25 0.01 0.00 0.02 0.00 0.00 55.36 55.31 1fae s GLN 458 Cb -0.02 0.14 -0.05 0.00 1.00 0.00 0.00 33.01 34.08 1fae s GLN 458 CO 0.07 -0.07 0.04 0.96 -2.12 0.00 0.00 175.29 174.17 1fae s ILE 459 N -0.93 0.50 0.36 1.08 -4.36 -0.14 -1.34 121.20 116.38 1fae s ILE 459 Ca -0.10 -1.97 -0.27 0.00 -0.26 0.00 0.00 60.65 58.04 1fae s ILE 459 Cb -0.06 -2.23 -0.12 0.00 1.25 0.00 0.00 42.46 41.31 1fae s ILE 459 CO 0.01 -0.35 1.30 -2.65 0.24 0.00 0.00 174.94 173.49 1fae n PRO 460 N -0.26 2.14 0.02 0.37 -0.02 -1.26 -0.84 135.00 135.15 1fae n PRO 460 Ca -0.05 0.75 -0.02 0.00 -2.02 0.00 0.00 63.50 62.17 1fae n PRO 460 Cb 0.64 -2.37 -0.01 0.00 -0.02 0.00 0.00 33.50 31.74 1fae n PRO 460 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1fae n SER 461 N 0.60 1.28 -4.41 2.55 2.88 0.20 -4.68 113.62 112.04 1fae n SER 461 Ca 0.05 0.18 -0.33 0.00 -1.33 0.00 0.00 58.87 57.44 1fae n SER 461 Cb 0.37 -0.42 -0.14 0.00 -0.75 0.00 0.00 64.21 63.27 1fae n SER 461 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1fae s THR 462 N -2.18 3.07 0.21 2.46 2.01 -1.08 -2.02 115.64 118.12 1fae s THR 462 Ca -0.06 -0.68 0.08 0.00 0.31 0.00 0.00 61.69 61.34 1fae s THR 462 Cb 0.01 -2.26 -0.05 0.00 0.01 0.00 0.00 72.50 70.21 1fae s THR 462 CO 0.10 0.55 -0.14 0.27 -0.69 0.00 0.00 174.62 174.71 1fae s ILE 463 N -0.01 1.74 0.21 1.82 -4.36 0.05 -0.56 121.20 120.09 1fae s ILE 463 Ca -0.04 -2.21 0.01 0.00 -0.26 0.00 0.00 60.65 58.16 1fae s ILE 463 Cb -0.14 -2.09 -0.05 0.00 1.25 0.00 0.00 42.46 41.43 1fae s ILE 463 CO 0.04 -0.56 0.07 -0.62 0.24 0.00 0.00 174.94 174.11 1fae s ASP 464 N -3.33 0.94 0.10 4.36 2.15 0.11 -4.44 116.67 116.56 1fae s ASP 464 Ca 0.23 -1.31 0.04 0.00 0.43 0.00 0.00 52.55 51.94 1fae s ASP 464 Cb -0.00 0.20 -0.04 0.00 -0.30 0.00 0.00 42.92 42.78 1fae s ASP 464 CO 0.08 -0.70 -0.10 0.26 -0.17 0.00 0.00 175.17 174.53 1fae s TRP 465 N -3.82 1.05 -0.07 -5.34 0.52 -1.26 -0.40 118.94 109.61 1fae s TRP 465 Ca 0.33 -0.68 -0.06 0.00 0.02 0.00 0.00 56.10 55.71 1fae s TRP 465 Cb 0.07 -0.57 0.02 0.00 -1.15 0.00 0.00 33.47 31.84 1fae s TRP 465 CO 0.10 -0.01 0.18 -2.00 0.02 0.00 0.00 176.95 175.24 1fae s GLU 466 N -2.89 0.20 1.94 4.98 2.12 -0.59 -5.00 118.70 119.46 1fae s GLU 466 Ca 0.06 0.28 0.00 0.00 0.36 0.00 0.00 54.97 55.67 1fae s GLU 466 Cb -0.02 0.07 0.00 0.00 0.26 0.00 0.00 34.13 34.43 1fae s GLU 466 CO -0.00 -0.05 0.00 0.41 -0.54 0.00 0.00 175.26 175.08 1fae n GLY 467 N 3.17 -1.44 3.42 -1.50 0.00 -1.25 -1.10 105.19 106.47 1fae n GLY 467 Ca -0.15 -1.34 -0.13 0.00 0.00 0.00 0.00 46.02 44.40 1fae n GLY 467 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1fae s GLN 468 N 0.00 1.16 0.79 1.61 -2.07 -1.18 -4.90 119.66 115.07 1fae s GLN 468 Ca 0.00 -0.33 -0.11 0.00 -1.82 0.00 0.00 55.36 53.10 1fae s GLN 468 Cb 0.00 0.53 0.07 0.00 -1.09 0.00 0.00 33.01 32.52 1fae s GLN 468 CO 0.00 -0.46 1.09 -1.25 -1.32 0.00 0.00 175.29 173.35 1fae s PRO 469 N -3.05 2.09 0.42 9.60 0.04 -1.26 -4.03 135.00 138.81 1fae s PRO 469 Ca -0.02 1.06 -0.23 0.00 0.04 0.00 0.00 61.00 61.85 1fae s PRO 469 Cb -0.00 -1.89 -0.09 0.00 0.04 0.00 0.00 34.50 32.56 1fae s PRO 469 CO -0.07 -1.73 1.05 -0.51 0.04 0.00 0.00 177.00 175.78 1fae s ASP 470 N -3.45 6.63 0.18 6.66 1.01 -1.26 -4.66 116.67 121.77 1fae s ASP 470 Ca 0.61 2.02 -0.33 0.00 0.71 0.00 0.00 52.55 55.56 1fae s ASP 470 Cb -0.17 -2.58 -0.14 0.00 1.01 0.00 0.00 42.92 41.04 1fae s ASP 470 CO 0.56 -0.58 1.42 0.41 0.21 0.00 0.00 175.17 177.19 1fae n THR 471 N -0.32 0.44 -2.30 -1.27 -1.04 -1.26 -4.84 114.28 103.69 1fae n THR 471 Ca 0.06 -0.11 -0.43 0.00 -2.04 0.00 0.00 64.05 61.54 1fae n THR 471 Cb 0.50 -1.29 -0.02 0.00 -1.82 0.00 0.00 70.33 67.70 1fae n THR 471 CO 0.00 0.00 0.00 0.86 -0.64 0.00 0.00 175.07 175.29 1fae s TRP 472 N 0.35 2.69 -0.33 -1.42 -0.11 -0.78 -4.96 118.94 114.37 1fae s TRP 472 Ca 0.75 0.81 0.03 0.00 1.22 0.00 0.00 56.10 58.92 1fae s TRP 472 Cb -0.74 -3.62 0.09 0.00 -1.50 0.00 0.00 33.47 27.70 1fae s TRP 472 CO 0.45 -2.28 0.03 1.21 -4.62 0.00 0.00 176.95 171.74 1fae s ASN 473 N 2.21 4.75 0.51 5.86 2.47 -1.26 -4.73 114.94 124.74 1fae s ASN 473 Ca 0.61 -1.99 0.35 0.00 0.42 0.00 0.00 52.86 52.25 1fae s ASN 473 Cb -0.26 -1.63 1.50 0.00 -1.45 0.00 0.00 41.25 39.40 1fae s ASN 473 CO 0.21 -0.35 1.73 -0.65 -3.72 0.00 0.00 177.10 174.31 1fae h PRO 474 N 7.68 0.08 0.05 0.43 0.11 -1.94 0.48 132.00 138.89 1fae h PRO 474 Ca -0.08 -0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.75 1fae h PRO 474 Cb 1.03 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.09 1fae h PRO 474 CO 0.52 0.05 -1.45 1.79 -0.21 0.00 0.00 178.00 178.70 1fae h THR 475 N 0.08 1.20 0.05 -1.15 1.35 -2.03 -3.34 112.91 109.07 1fae h THR 475 Ca 0.68 -2.93 -0.24 0.00 -0.55 0.00 0.00 66.41 63.37 1fae h THR 475 Cb 2.49 2.67 0.02 0.00 -1.73 0.00 0.00 68.15 71.59 1fae h THR 475 CO -0.12 0.76 -0.97 -0.61 -0.25 0.00 0.00 175.52 174.33 1fae h GLN 476 N 0.03 0.57 0.00 4.72 4.15 -1.71 -3.50 115.11 119.36 1fae h GLN 476 Ca -0.20 -0.68 0.00 0.00 0.77 0.00 0.00 58.65 58.54 1fae h GLN 476 Cb 1.95 0.21 0.00 0.00 0.21 0.00 0.00 27.48 29.85 1fae h GLN 476 CO 0.12 1.28 0.00 0.41 -1.93 0.00 0.00 178.83 178.71 1fae n GLY 477 N 1.23 -0.87 3.67 2.39 0.00 0.06 -4.86 105.19 106.80 1fae n GLY 477 Ca -0.12 -1.26 -0.42 0.00 0.00 0.00 0.00 46.02 44.22 1fae n GLY 477 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1fae s TYR 478 N 0.00 1.98 -0.70 1.61 6.04 -1.26 -4.70 117.35 120.31 1fae s TYR 478 Ca 0.00 0.05 0.24 0.00 0.04 0.00 0.00 57.07 57.40 1fae s TYR 478 Cb 0.00 -4.04 0.20 0.00 -1.04 0.00 0.00 41.96 37.07 1fae s TYR 478 CO 0.00 -4.39 1.17 0.25 -1.54 0.00 0.00 175.55 171.04 1fae n THR 479 N 5.16 0.18 0.00 4.34 -2.24 -1.26 -4.95 114.28 115.51 1fae n THR 479 Ca 0.17 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1fae n THR 479 Cb 0.41 0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.80 1fae n THR 479 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1fae n GLY 480 N 1.39 0.16 4.09 3.38 0.00 -1.26 -4.70 105.19 108.25 1fae n GLY 480 Ca 0.03 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.60 1fae n GLY 480 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1fae n ASN 481 N 0.00 -3.78 0.33 1.61 3.02 -1.26 -4.06 115.26 111.11 1fae n ASN 481 Ca 0.00 -1.26 0.22 0.00 -0.03 0.00 0.00 54.58 53.51 1fae n ASN 481 Cb 0.00 -1.51 1.17 0.00 -0.61 0.00 0.00 39.78 38.84 1fae n ASN 481 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1fae h ALA 482 N 1.75 1.07 -0.50 5.41 0.00 -1.93 -2.22 119.26 122.83 1fae h ALA 482 Ca -0.68 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.22 1fae h ALA 482 Cb 1.34 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1fae h ALA 482 CO 0.50 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.84 1fae n ASN 483 N -3.18 3.90 -4.25 0.00 3.02 -1.26 -4.87 115.26 108.63 1fae n ASN 483 Ca -0.03 -2.33 -0.35 0.00 -0.03 0.00 0.00 54.58 51.85 1fae n ASN 483 Cb 0.08 -0.45 -0.14 0.00 -0.61 0.00 0.00 39.78 38.66 1fae n ASN 483 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1fae s LEU 484 N -1.60 3.01 0.04 3.41 2.96 -0.85 -3.11 118.68 122.55 1fae s LEU 484 Ca 0.40 -0.63 0.05 0.00 -0.22 0.00 0.00 54.13 53.74 1fae s LEU 484 Cb 0.25 -1.70 -0.02 0.00 0.50 0.00 0.00 46.19 45.22 1fae s LEU 484 CO 0.21 -0.07 -0.14 -1.00 -1.32 0.00 0.00 176.35 174.02 1fae s HIS 485 N 1.40 1.24 0.07 5.38 3.76 -0.26 -0.98 115.29 125.90 1fae s HIS 485 Ca 0.03 -0.37 0.02 0.00 -0.15 0.00 0.00 55.06 54.60 1fae s HIS 485 Cb -0.15 -0.73 -0.04 0.00 1.11 0.00 0.00 32.58 32.77 1fae s HIS 485 CO -0.04 0.04 0.09 0.54 -0.85 0.00 0.00 174.74 174.52 1fae s VAL 486 N -0.92 4.61 -0.03 -0.90 0.11 -1.26 -1.54 120.40 120.47 1fae s VAL 486 Ca 0.01 -0.70 0.01 0.00 -2.93 0.00 0.00 61.98 58.37 1fae s VAL 486 Cb -0.08 -3.21 0.02 0.00 -1.53 0.00 0.00 36.38 31.57 1fae s VAL 486 CO 0.01 0.15 -0.04 -0.54 -3.33 0.00 0.00 175.10 171.36 1fae s LYS 487 N -2.33 0.61 -0.31 1.54 -0.14 0.46 -4.96 119.74 114.60 1fae s LYS 487 Ca 0.29 -0.09 -0.21 0.00 -1.36 0.00 0.00 55.97 54.60 1fae s LYS 487 Cb -0.12 -0.65 -0.00 0.00 -1.68 0.00 0.00 37.83 35.38 1fae s LYS 487 CO 0.22 -0.04 0.68 0.08 -0.76 0.00 0.00 175.35 175.53 1fae s VAL 488 N 0.64 4.89 -0.03 3.17 1.01 -1.26 0.09 120.40 128.91 1fae s VAL 488 Ca -0.08 0.90 -0.21 0.00 0.00 0.00 0.00 61.98 62.59 1fae s VAL 488 Cb -0.11 -4.06 -0.27 0.00 0.00 0.00 0.00 36.38 31.94 1fae s VAL 488 CO -0.00 -0.20 0.99 0.58 0.00 0.00 0.00 175.10 176.47 1fae h VAL 489 N 5.58 1.48 -3.19 2.92 2.07 -1.15 -3.48 116.25 120.48 1fae h VAL 489 Ca -0.26 -2.29 -0.05 0.00 0.82 0.00 0.00 66.70 64.91 1fae h VAL 489 Cb 1.11 2.91 -0.14 0.00 -1.52 0.00 0.00 31.29 33.65 1fae h VAL 489 CO 0.83 0.65 -0.03 0.54 0.02 0.00 0.00 177.57 179.58 1fae s ASN 490 N -6.81 -0.31 0.33 0.57 2.20 -1.13 -4.99 114.94 104.79 1fae s ASN 490 Ca -0.14 -0.15 0.08 0.00 -0.94 0.00 0.00 52.86 51.71 1fae s ASN 490 Cb 0.02 0.48 -0.03 0.00 -2.00 0.00 0.00 41.25 39.72 1fae s ASN 490 CO 0.82 -0.81 0.27 -0.31 -2.94 0.00 0.00 177.10 174.13 1fae s TYR 491 N -3.36 2.88 0.00 1.54 1.51 -1.26 -0.62 117.35 118.04 1fae s TYR 491 Ca 0.00 -0.31 0.00 0.00 -1.01 0.00 0.00 57.07 55.75 1fae s TYR 491 Cb 0.01 -1.77 0.00 0.00 -0.11 0.00 0.00 41.96 40.09 1fae s TYR 491 CO -0.09 0.21 0.00 0.41 -1.11 0.00 0.00 175.55 174.97 1fae n GLY 492 N -1.34 1.70 2.56 0.71 0.00 -0.02 -4.73 105.19 104.07 1fae n GLY 492 Ca -0.02 -0.95 -0.21 0.00 0.00 0.00 0.00 46.02 44.84 1fae n GLY 492 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1fae n THR 493 N 0.00 1.50 -2.34 2.61 -1.04 -1.26 -0.96 114.28 112.78 1fae n THR 493 Ca 0.00 -4.72 -0.43 0.00 -2.04 0.00 0.00 64.05 56.86 1fae n THR 493 Cb 0.00 -0.64 -0.02 0.00 -1.82 0.00 0.00 70.33 67.84 1fae n THR 493 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1fae s ASP 494 N -3.06 6.29 0.43 8.00 -1.08 -1.26 -4.89 116.67 121.09 1fae s ASP 494 Ca 0.42 0.77 0.12 0.00 -0.52 0.00 0.00 52.55 53.34 1fae s ASP 494 Cb 0.35 -2.54 0.93 0.00 -1.46 0.00 0.00 42.92 40.20 1fae s ASP 494 CO -0.10 -1.48 1.97 -0.07 0.52 0.00 0.00 175.17 176.01 1fae h LEU 495 N 12.39 0.10 -0.13 -1.34 3.38 -1.97 -1.17 115.31 126.57 1fae h LEU 495 Ca -0.28 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.57 1fae h LEU 495 Cb 1.11 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1fae h LEU 495 CO 1.10 0.25 -0.34 1.23 0.09 0.00 0.00 178.44 180.77 1fae h GLY 496 N 0.59 0.51 1.17 0.83 0.00 -1.90 -1.95 103.07 102.32 1fae h GLY 496 Ca 0.02 -0.64 -0.06 0.00 0.00 0.00 0.00 47.33 46.65 1fae h GLY 496 CO 0.02 0.57 0.15 0.00 0.00 0.00 0.00 176.54 177.28 1fae h ALA 498 N 1.18 1.00 -0.26 0.00 0.00 -1.23 0.70 119.26 120.65 1fae h ALA 498 Ca 0.21 -0.36 -0.09 0.00 0.00 0.00 0.00 54.91 54.67 1fae h ALA 498 Cb 0.35 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1fae h ALA 498 CO 0.00 0.59 -0.18 0.77 0.00 0.00 0.00 179.25 180.44 1fae h SER 499 N 0.53 0.61 -0.42 0.00 0.02 -1.02 -0.62 113.55 112.64 1fae h SER 499 Ca 0.07 -0.44 -0.04 0.00 -0.84 0.00 0.00 61.79 60.55 1fae h SER 499 Cb 0.70 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 63.05 1fae h SER 499 CO 0.05 0.91 0.14 -1.28 -1.14 0.00 0.00 176.83 175.52 1fae h SER 500 N 0.31 0.66 -0.39 3.07 0.87 -0.83 -1.27 113.55 115.96 1fae h SER 500 Ca 0.05 -0.10 -0.05 0.00 -1.23 0.00 0.00 61.79 60.46 1fae h SER 500 Cb 0.71 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.48 1fae h SER 500 CO 0.05 0.64 0.04 0.25 -0.53 0.00 0.00 176.83 177.28 1fae h LEU 501 N 0.70 0.64 -0.78 2.23 5.85 -0.69 -1.95 115.31 121.32 1fae h LEU 501 Ca 0.16 -0.28 0.01 0.00 0.84 0.00 0.00 57.88 58.61 1fae h LEU 501 Cb 0.23 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 1fae h LEU 501 CO -0.01 0.76 0.52 0.00 -0.34 0.00 0.00 178.44 179.37 1fae h ALA 502 N 0.91 0.99 0.08 1.25 0.00 -0.52 -1.14 119.26 120.83 1fae h ALA 502 Ca 0.12 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1fae h ALA 502 Cb 0.40 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1fae h ALA 502 CO 0.01 0.39 -0.04 -0.97 0.00 0.00 0.00 179.25 178.65 1fae h ASN 503 N 1.05 -0.09 -0.04 0.00 -0.73 -1.04 0.13 115.58 114.86 1fae h ASN 503 Ca 0.29 0.00 0.02 0.00 1.87 0.00 0.00 56.30 58.48 1fae h ASN 503 Cb -0.11 0.02 -0.02 0.00 0.27 0.00 0.00 38.32 38.48 1fae h ASN 503 CO -0.07 -0.06 -0.07 0.74 -0.37 0.00 0.00 177.43 177.60 1fae h THR 504 N -0.10 0.81 -0.42 -3.57 2.02 -1.09 -1.43 112.91 109.13 1fae h THR 504 Ca -0.01 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.15 1fae h THR 504 Cb 0.08 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 67.28 1fae h THR 504 CO 0.02 0.00 0.16 -0.07 0.37 0.00 0.00 175.52 176.00 1fae h LEU 505 N -0.10 0.54 -0.10 2.58 3.38 -1.09 -1.75 115.31 118.76 1fae h LEU 505 Ca 0.04 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1fae h LEU 505 Cb 0.16 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 1fae h LEU 505 CO -0.10 0.50 -0.01 0.74 0.09 0.00 0.00 178.44 179.66 1fae h THR 506 N 0.60 1.27 -0.57 0.22 2.02 -0.26 0.63 112.91 116.82 1fae h THR 506 Ca 0.15 -0.88 -0.01 0.00 0.77 0.00 0.00 66.41 66.43 1fae h THR 506 Cb 0.14 1.65 -0.03 0.00 -1.74 0.00 0.00 68.15 68.17 1fae h THR 506 CO -0.01 0.25 0.31 1.88 0.37 0.00 0.00 175.52 178.31 1fae h TYR 507 N -0.11 0.79 -0.74 3.16 -1.99 -1.16 -1.29 116.97 115.63 1fae h TYR 507 Ca 0.03 -0.02 -0.06 0.00 2.00 0.00 0.00 58.73 60.67 1fae h TYR 507 Cb 0.39 -0.25 -0.03 0.00 2.00 0.00 0.00 36.73 38.84 1fae h TYR 507 CO 0.04 0.58 0.21 -0.92 -0.00 0.00 0.00 178.16 178.08 1fae h TYR 508 N 0.77 1.21 -0.20 4.88 3.20 -1.25 -2.82 116.97 122.75 1fae h TYR 508 Ca 0.20 -0.13 -0.14 0.00 3.14 0.00 0.00 58.73 61.80 1fae h TYR 508 Cb 0.06 -0.35 -0.01 0.00 1.54 0.00 0.00 36.73 37.97 1fae h TYR 508 CO -0.01 0.96 -0.47 0.00 -1.64 0.00 0.00 178.16 177.00 1fae h ALA 509 N 1.11 0.81 -0.71 1.82 0.00 -0.64 -1.26 119.26 120.38 1fae h ALA 509 Ca 0.24 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1fae h ALA 509 Cb 0.33 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1fae h ALA 509 CO -0.00 0.66 0.36 0.00 0.00 0.00 0.00 179.25 180.27 1fae h ALA 510 N 1.07 1.31 0.11 0.00 0.00 -1.00 0.02 119.26 120.77 1fae h ALA 510 Ca 0.02 -0.12 -0.27 0.00 0.00 0.00 0.00 54.91 54.54 1fae h ALA 510 Cb 0.98 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1fae h ALA 510 CO 0.09 0.55 -1.36 -0.22 0.00 0.00 0.00 179.25 178.31 1fae h LYS 511 N 1.00 0.24 0.00 0.00 1.63 -1.38 -3.39 116.57 114.67 1fae h LYS 511 Ca 0.25 -0.41 -0.18 0.00 -0.85 0.00 0.00 60.65 59.46 1fae h LYS 511 Cb 0.06 0.15 -0.03 0.00 -0.60 0.00 0.00 32.23 31.82 1fae h LYS 511 CO -0.04 1.20 -0.95 0.66 -3.45 0.00 0.00 179.45 176.87 1fae h SER 512 N -0.32 0.00 0.00 4.20 4.64 -1.26 -3.48 113.55 117.33 1fae h SER 512 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 1fae h SER 512 Cb 1.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.83 1fae h SER 512 CO 0.06 0.79 0.00 0.61 -0.87 0.00 0.00 176.83 177.42 1fae n GLY 513 N 1.33 0.72 3.60 -0.77 0.00 -0.01 -4.99 105.19 105.07 1fae n GLY 513 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 1fae n GLY 513 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1fae s ASP 514 N -2.39 5.58 0.27 1.61 3.68 -1.25 -4.87 116.67 119.29 1fae s ASP 514 Ca 0.00 1.54 -0.02 0.00 2.13 0.00 0.00 52.55 56.20 1fae s ASP 514 Cb 0.00 -2.52 0.36 0.00 -1.45 0.00 0.00 42.92 39.31 1fae s ASP 514 CO 0.00 -1.92 1.81 -0.33 0.13 0.00 0.00 175.17 174.86 1fae h GLU 515 N 14.38 0.87 -0.62 4.34 4.39 -1.94 -2.82 114.58 133.17 1fae h GLU 515 Ca -0.36 -0.18 0.07 0.00 0.34 0.00 0.00 59.36 59.22 1fae h GLU 515 Cb 1.21 -0.13 -0.06 0.00 -0.10 0.00 0.00 28.75 29.67 1fae h GLU 515 CO 1.01 0.78 0.32 1.15 -1.16 0.00 0.00 179.01 181.11 1fae h THR 516 N 0.83 0.92 -0.54 1.13 2.02 -2.00 -0.64 112.91 114.64 1fae h THR 516 Ca 0.18 -0.20 -0.12 0.00 0.77 0.00 0.00 66.41 67.05 1fae h THR 516 Cb 0.31 0.28 -0.02 0.00 -1.74 0.00 0.00 68.15 66.98 1fae h THR 516 CO -0.00 0.11 -0.11 0.28 0.37 0.00 0.00 175.52 176.16 1fae h SER 517 N 0.58 1.03 -0.41 4.18 0.02 -1.86 -1.92 113.55 115.18 1fae h SER 517 Ca 0.29 -0.35 -0.05 0.00 -0.84 0.00 0.00 61.79 60.83 1fae h SER 517 Cb 0.23 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.47 1fae h SER 517 CO -0.21 1.15 0.05 -0.09 -1.14 0.00 0.00 176.83 176.59 1fae h ARG 518 N 0.91 0.69 0.00 3.45 2.43 -1.18 -1.82 114.38 118.85 1fae h ARG 518 Ca 0.14 -0.19 -0.11 0.00 -0.81 0.00 0.00 59.98 59.01 1fae h ARG 518 Cb 0.68 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.14 1fae h ARG 518 CO 0.05 0.74 -0.53 -0.56 -1.51 0.00 0.00 179.97 178.17 1fae h GLN 519 N 0.54 0.00 -0.22 0.20 3.07 -1.08 -1.80 115.11 115.82 1fae h GLN 519 Ca 0.12 0.00 -0.18 0.00 0.09 0.00 0.00 58.65 58.68 1fae h GLN 519 Cb 0.40 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.95 1fae h GLN 519 CO 0.01 0.53 -0.58 -0.91 0.09 0.00 0.00 178.83 177.96 1fae h ASN 520 N 0.00 0.79 -0.33 0.06 2.35 -1.29 -0.98 115.58 116.18 1fae h ASN 520 Ca -0.01 -0.44 -0.03 0.00 -0.55 0.00 0.00 56.30 55.28 1fae h ASN 520 Cb 1.09 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 39.22 1fae h ASN 520 CO 0.07 1.19 0.08 0.00 -1.65 0.00 0.00 177.43 177.13 1fae h ALA 521 N 0.82 0.44 -0.45 -0.83 0.00 -1.17 -0.94 119.26 117.13 1fae h ALA 521 Ca 0.00 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 1fae h ALA 521 Cb 1.16 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1fae h ALA 521 CO 0.12 0.10 -0.09 0.37 0.00 0.00 0.00 179.25 179.75 1fae h GLN 522 N 0.38 0.85 -0.63 0.00 4.15 -1.30 -1.90 115.11 116.66 1fae h GLN 522 Ca 0.10 -0.32 -0.03 0.00 0.77 0.00 0.00 58.65 59.18 1fae h GLN 522 Cb 0.30 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 27.90 1fae h GLN 522 CO 0.00 0.95 0.28 0.87 -1.93 0.00 0.00 178.83 179.00 1fae h LYS 523 N 0.68 0.90 -0.25 1.69 1.57 -1.05 0.17 116.57 120.28 1fae h LYS 523 Ca 0.11 -0.13 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 1fae h LYS 523 Cb 0.63 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 1fae h LYS 523 CO 0.04 0.71 -0.00 -0.07 -0.57 0.00 0.00 179.45 179.56 1fae h LEU 524 N 0.89 0.44 -0.48 2.94 3.38 -1.03 -0.27 115.31 121.18 1fae h LEU 524 Ca 0.22 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 1fae h LEU 524 Cb 0.13 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1fae h LEU 524 CO -0.02 0.65 0.22 -0.07 0.09 0.00 0.00 178.44 179.30 1fae h LEU 525 N 0.23 0.64 -0.37 1.67 3.38 -0.89 -2.13 115.31 117.84 1fae h LEU 525 Ca 0.07 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 1fae h LEU 525 Cb 0.42 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1fae h LEU 525 CO 0.01 0.60 0.02 0.44 0.09 0.00 0.00 178.44 179.60 1fae h ASP 526 N 0.63 0.62 -0.79 -0.43 3.32 -0.61 -2.02 116.42 117.14 1fae h ASP 526 Ca 0.16 -0.29 0.01 0.00 0.02 0.00 0.00 57.03 56.93 1fae h ASP 526 Cb 0.14 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.48 1fae h ASP 526 CO -0.02 0.76 0.52 0.00 -1.72 0.00 0.00 179.24 178.79 1fae h ALA 527 N 0.88 1.01 -0.34 3.45 0.00 -0.92 -0.50 119.26 122.85 1fae h ALA 527 Ca 0.11 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 1fae h ALA 527 Cb 0.43 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1fae h ALA 527 CO 0.02 0.40 -0.15 0.52 0.00 0.00 0.00 179.25 180.03 1fae h MET 528 N 1.06 0.71 0.06 0.00 2.86 -1.30 -0.71 114.93 117.61 1fae h MET 528 Ca 0.30 -0.30 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1fae h MET 528 Cb -0.09 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.54 1fae h MET 528 CO -0.07 0.91 -0.03 2.35 1.06 0.00 0.00 176.91 181.12 1fae h TRP 529 N 0.49 -0.08 -0.25 -0.22 2.91 -1.07 -1.48 115.95 116.25 1fae h TRP 529 Ca 0.08 -0.00 -0.17 0.00 1.13 0.00 0.00 58.89 59.93 1fae h TRP 529 Cb 0.68 0.03 -0.00 0.00 -0.51 0.00 0.00 29.16 29.36 1fae h TRP 529 CO 0.06 0.08 -0.52 -0.91 -1.03 0.00 0.00 178.44 176.12 1fae h ASN 530 N -0.23 0.80 -0.00 2.65 2.35 -1.10 -3.31 115.58 116.74 1fae h ASN 530 Ca -0.01 -0.42 0.00 0.00 -0.55 0.00 0.00 56.30 55.33 1fae h ASN 530 Cb 0.20 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.34 1fae h ASN 530 CO 0.01 1.17 -0.33 0.59 -1.65 0.00 0.00 177.43 177.22 1fae n ASN 531 N -3.99 0.94 -0.01 5.81 3.02 -0.28 -4.67 115.26 116.08 1fae n ASN 531 Ca -0.03 -0.97 0.00 0.00 -0.03 0.00 0.00 54.58 53.55 1fae n ASN 531 Cb 0.60 0.69 0.00 0.00 -0.61 0.00 0.00 39.78 40.46 1fae n ASN 531 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1fae n TYR 532 N -0.65 0.00 -2.58 3.10 4.02 -0.56 -5.04 117.16 115.45 1fae n TYR 532 Ca 0.03 -0.36 -0.35 0.00 -0.01 0.00 0.00 57.90 57.21 1fae n TYR 532 Cb 0.20 -0.04 -0.04 0.00 -0.02 0.00 0.00 39.34 39.44 1fae n TYR 532 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 1fae s SER 533 N -0.75 6.67 0.35 7.72 0.01 -1.22 -1.40 113.70 125.08 1fae s SER 533 Ca 0.01 1.97 -0.01 0.00 1.31 0.00 0.00 55.95 59.23 1fae s SER 533 Cb 0.01 -2.57 -0.00 0.00 0.21 0.00 0.00 66.02 63.66 1fae s SER 533 CO 0.00 -0.55 0.45 1.51 0.41 0.00 0.00 173.24 175.06 1fae s ASP 534 N -1.74 1.06 0.20 2.44 3.84 -0.58 -4.87 116.67 117.02 1fae s ASP 534 Ca 0.61 -1.54 0.18 0.00 -0.00 0.00 0.00 52.55 51.80 1fae s ASP 534 Cb -0.19 0.65 0.84 0.00 -1.38 0.00 0.00 42.92 42.84 1fae s ASP 534 CO 0.24 -1.27 1.55 -1.54 -0.00 0.00 0.00 175.17 174.15 1fae n SER 535 N -1.47 0.43 -0.37 2.11 3.41 -1.26 -2.78 113.62 113.70 1fae n SER 535 Ca 0.02 0.65 0.07 0.00 -0.26 0.00 0.00 58.87 59.35 1fae n SER 535 Cb 0.62 -0.72 0.01 0.00 -0.26 0.00 0.00 64.21 63.85 1fae n SER 535 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1fae n LYS 536 N -2.02 1.70 0.00 4.33 5.02 -1.26 -4.96 118.16 120.97 1fae n LYS 536 Ca 0.01 -0.84 0.00 0.00 -2.02 0.00 0.00 58.31 55.46 1fae n LYS 536 Cb 0.12 -1.24 0.00 0.00 -0.02 0.00 0.00 35.03 33.89 1fae n LYS 536 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1fae n GLY 537 N 1.07 0.70 3.14 0.72 0.00 -1.12 -4.61 105.19 105.09 1fae n GLY 537 Ca 0.06 -0.50 -0.13 0.00 0.00 0.00 0.00 46.02 45.46 1fae n GLY 537 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1fae s ILE 538 N 0.00 0.73 0.00 -0.61 -4.36 -1.26 -1.53 121.20 114.18 1fae s ILE 538 Ca 0.00 -1.56 -0.29 0.00 -0.26 0.00 0.00 60.65 58.54 1fae s ILE 538 Cb 0.00 -1.23 0.10 0.00 1.25 0.00 0.00 42.46 42.58 1fae s ILE 538 CO 0.00 -0.61 1.01 -0.94 0.24 0.00 0.00 174.94 174.64 1fae s SER 539 N -2.36 -0.24 0.22 4.36 1.04 -0.49 -4.82 113.70 111.41 1fae s SER 539 Ca 0.03 -0.12 -0.13 0.00 0.48 0.00 0.00 55.95 56.20 1fae s SER 539 Cb -0.02 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.44 1fae s SER 539 CO -0.01 -0.59 0.46 0.28 0.98 0.00 0.00 173.24 174.35 1fae s THR 540 N -2.97 0.02 -0.08 2.02 -1.32 -1.26 -4.74 115.64 107.30 1fae s THR 540 Ca 0.09 -1.27 -0.17 0.00 -1.21 0.00 0.00 61.69 59.12 1fae s THR 540 Cb -0.00 -2.02 -0.05 0.00 -1.51 0.00 0.00 72.50 68.92 1fae s THR 540 CO -0.05 -0.07 0.46 -0.69 -2.21 0.00 0.00 174.62 172.06 1fae s VAL 541 N -3.98 5.13 0.07 5.08 1.01 -1.26 -4.02 120.40 122.43 1fae s VAL 541 Ca 0.19 0.93 0.05 0.00 0.00 0.00 0.00 61.98 63.15 1fae s VAL 541 Cb -0.00 -3.79 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 1fae s VAL 541 CO 0.05 0.40 -0.13 -1.83 0.00 0.00 0.00 175.10 173.59 1fae s GLU 542 N 0.15 0.80 0.13 2.72 -1.05 0.03 -4.95 118.70 116.52 1fae s GLU 542 Ca 0.25 -0.98 -0.26 0.00 -0.15 0.00 0.00 54.97 53.84 1fae s GLU 542 Cb -0.16 -0.72 -0.07 0.00 -0.44 0.00 0.00 34.13 32.75 1fae s GLU 542 CO 0.11 0.15 0.79 -0.65 0.95 0.00 0.00 175.26 176.61 1fae s GLN 543 N -1.94 4.56 -0.94 -4.83 -0.21 -1.26 -0.76 119.66 114.28 1fae s GLN 543 Ca -0.01 1.15 -0.02 0.00 0.02 0.00 0.00 55.36 56.50 1fae s GLN 543 Cb -0.09 -3.30 0.25 0.00 1.00 0.00 0.00 33.01 30.87 1fae s GLN 543 CO 0.02 0.46 0.95 0.54 -2.12 0.00 0.00 175.29 175.14 1fae n ARG 544 N 2.03 3.09 0.23 2.91 5.12 0.74 -4.93 116.66 125.85 1fae n ARG 544 Ca -0.04 -4.51 0.18 0.00 -1.93 0.00 0.00 57.85 51.55 1fae n ARG 544 Cb 0.49 -2.44 0.84 0.00 -1.16 0.00 0.00 32.46 30.20 1fae n ARG 544 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 1fae h GLY 545 N 5.81 0.00 -1.92 -0.13 0.00 -1.95 -2.30 103.07 102.58 1fae h GLY 545 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.51 1fae h GLY 545 CO 0.96 0.00 0.00 1.22 0.00 0.00 0.00 176.54 178.72 1fae n ASP 546 N -3.43 3.01 0.23 0.19 8.00 -1.26 -4.50 116.55 118.80 1fae n ASP 546 Ca 0.02 -1.96 0.16 0.00 0.71 0.00 0.00 54.79 53.71 1fae n ASP 546 Cb 0.39 -0.04 0.85 0.00 -0.02 0.00 0.00 41.12 42.30 1fae n ASP 546 CO 0.00 0.00 0.00 1.88 -0.39 0.00 0.00 177.20 178.69 1fae h TYR 547 N 4.50 0.00 0.00 1.24 -1.99 -1.81 -1.02 116.97 117.88 1fae h TYR 547 Ca 0.00 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.72 1fae h TYR 547 Cb 0.96 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.69 1fae h TYR 547 CO 0.04 0.00 -0.06 1.12 -0.00 0.00 0.00 178.16 179.26 1fae h HIS 548 N 0.00 0.00 0.00 4.88 2.07 -1.82 -1.94 115.15 118.34 1fae h HIS 548 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1fae h HIS 548 Cb 0.00 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.98 1fae h HIS 548 CO 0.00 0.06 0.00 0.54 -3.07 0.00 0.00 177.93 175.46 1fae n ARG 549 N -3.60 0.15 -0.25 5.12 1.74 -0.39 -1.77 116.66 117.67 1fae n ARG 549 Ca -0.02 0.44 -0.03 0.00 -0.77 0.00 0.00 57.85 57.47 1fae n ARG 549 Cb 0.17 -1.82 0.09 0.00 -1.02 0.00 0.00 32.46 29.88 1fae n ARG 549 CO 0.00 0.00 0.00 0.74 -1.52 0.00 0.00 177.63 176.85 1fae h PHE 550 N 0.00 0.80 0.00 -1.55 -1.00 -1.55 -2.62 116.94 111.02 1fae h PHE 550 Ca 0.00 0.02 -0.36 0.00 2.81 0.00 0.00 57.97 60.44 1fae h PHE 550 Cb 0.27 -0.26 -0.07 0.00 3.61 0.00 0.00 35.95 39.51 1fae h PHE 550 CO 0.00 0.44 -2.31 1.28 -1.61 0.00 0.00 178.31 176.10 1fae n LEU 551 N -4.69 0.75 -0.68 1.54 4.77 -0.83 -2.49 117.00 115.37 1fae n LEU 551 Ca 0.08 0.03 0.08 0.00 -0.03 0.00 0.00 56.01 56.17 1fae n LEU 551 Cb 0.11 0.14 0.07 0.00 -2.33 0.00 0.00 43.42 41.42 1fae n LEU 551 CO 0.32 0.58 0.52 -0.90 -1.33 0.00 0.00 177.39 176.58 1fae n ASP 552 N -2.90 2.42 -4.59 -1.43 5.68 -0.73 -4.84 116.55 110.16 1fae n ASP 552 Ca -0.34 -1.71 -0.42 0.00 -0.50 0.00 0.00 54.79 51.82 1fae n ASP 552 Cb 1.11 -0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 41.04 1fae n ASP 552 CO 0.00 0.00 0.00 -1.58 -1.33 0.00 0.00 177.20 174.29 1fae s GLN 553 N -1.40 3.76 0.24 0.11 2.00 -0.99 -5.00 119.66 118.38 1fae s GLN 553 Ca 0.20 0.40 -0.30 0.00 -2.00 0.00 0.00 55.36 53.66 1fae s GLN 553 Cb 0.14 -3.82 -0.09 0.00 0.80 0.00 0.00 33.01 30.04 1fae s GLN 553 CO 0.21 -0.94 0.94 -2.00 -0.50 0.00 0.00 175.29 173.00 1fae s GLU 554 N 3.35 4.85 -0.18 1.67 2.12 -1.26 -1.51 118.70 127.74 1fae s GLU 554 Ca 0.35 1.50 -0.08 0.00 0.36 0.00 0.00 54.97 57.10 1fae s GLU 554 Cb -0.12 -3.27 -0.04 0.00 0.26 0.00 0.00 34.13 30.95 1fae s GLU 554 CO 0.19 0.51 0.07 0.08 -0.54 0.00 0.00 175.26 175.57 1fae s VAL 555 N -1.18 4.83 0.02 3.70 1.01 -0.17 -4.89 120.40 123.72 1fae s VAL 555 Ca 0.41 -0.02 -0.30 0.00 0.00 0.00 0.00 61.98 62.07 1fae s VAL 555 Cb -0.26 -3.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.90 1fae s VAL 555 CO 0.32 0.46 1.11 0.12 0.00 0.00 0.00 175.10 177.11 1fae s PHE 556 N 0.34 3.50 -0.08 5.22 5.36 -1.26 -4.46 117.98 126.60 1fae s PHE 556 Ca 0.03 1.46 0.01 0.00 -0.96 0.00 0.00 56.93 57.47 1fae s PHE 556 Cb -0.12 -3.29 0.02 0.00 -0.34 0.00 0.00 43.02 39.28 1fae s PHE 556 CO -0.00 -0.74 -0.08 0.08 -1.46 0.00 0.00 175.22 173.01 1fae s VAL 557 N 1.21 0.92 0.63 3.12 1.01 -1.26 -5.02 120.40 121.02 1fae s VAL 557 Ca 0.55 -0.30 -0.18 0.00 0.00 0.00 0.00 61.98 62.05 1fae s VAL 557 Cb -0.25 -0.91 -0.02 0.00 0.00 0.00 0.00 36.38 35.20 1fae s VAL 557 CO 0.27 0.33 1.28 -0.81 0.00 0.00 0.00 175.10 176.18 1fae n PRO 558 N 4.36 1.17 -1.67 2.72 -0.04 -1.26 -4.40 135.00 135.89 1fae n PRO 558 Ca -0.18 0.46 -0.52 0.00 -0.04 0.00 0.00 63.50 63.21 1fae n PRO 558 Cb 0.51 -2.52 -0.06 0.00 -0.04 0.00 0.00 33.50 31.39 1fae n PRO 558 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1fae n ALA 559 N -1.80 0.10 -0.02 0.55 0.00 -1.26 -1.51 120.51 116.56 1fae n ALA 559 Ca 0.15 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.99 1fae n ALA 559 Cb 0.48 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.65 1fae n ALA 559 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fae n GLY 560 N 3.72 1.84 3.69 0.00 0.00 -1.26 -5.02 105.19 108.16 1fae n GLY 560 Ca 0.22 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.84 1fae n GLY 560 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1fae s TRP 561 N -2.65 3.47 0.01 1.61 -0.00 -0.57 -5.05 118.94 115.77 1fae s TRP 561 Ca 0.00 1.12 0.00 0.00 -0.00 0.00 0.00 56.10 57.22 1fae s TRP 561 Cb 0.00 -2.83 -0.01 0.00 -0.00 0.00 0.00 33.47 30.63 1fae s TRP 561 CO 0.00 -0.06 -0.03 0.95 -0.00 0.00 0.00 176.95 177.82 1fae s THR 562 N 1.42 0.14 0.23 5.86 -4.23 -1.26 -4.46 115.64 113.35 1fae s THR 562 Ca 0.34 -0.54 -0.08 0.00 -1.18 0.00 0.00 61.69 60.23 1fae s THR 562 Cb -0.17 -0.21 0.03 0.00 1.34 0.00 0.00 72.50 73.49 1fae s THR 562 CO 0.14 -0.25 0.45 0.61 -0.54 0.00 0.00 174.62 175.02 1fae n GLY 563 N 2.24 1.55 3.05 3.99 0.00 -0.47 -4.43 105.19 111.12 1fae n GLY 563 Ca -0.19 -1.21 -0.14 0.00 0.00 0.00 0.00 46.02 44.48 1fae n GLY 563 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fae s LYS 564 N -2.11 0.55 0.57 1.61 1.02 -0.25 -0.67 119.74 120.47 1fae s LYS 564 Ca 0.11 -0.64 -0.08 0.00 0.02 0.00 0.00 55.97 55.37 1fae s LYS 564 Cb -0.03 -0.39 -0.02 0.00 -0.52 0.00 0.00 37.83 36.87 1fae s LYS 564 CO 0.08 0.08 0.93 -1.64 -0.92 0.00 0.00 175.35 173.88 1fae s MET 565 N -1.24 3.38 0.47 1.68 -1.94 0.25 -0.95 119.30 120.96 1fae s MET 565 Ca -0.06 0.39 0.25 0.00 -1.71 0.00 0.00 55.69 54.56 1fae s MET 565 Cb -0.08 -2.21 1.29 0.00 2.01 0.00 0.00 34.83 35.84 1fae s MET 565 CO 0.00 -0.51 1.84 -1.35 -0.01 0.00 0.00 175.02 174.99 1fae h PRO 566 N -0.13 0.20 -0.04 2.03 0.11 -1.88 0.27 132.00 132.56 1fae h PRO 566 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1fae h PRO 566 Cb 1.21 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1fae h PRO 566 CO 0.62 0.13 0.00 0.27 -0.21 0.00 0.00 178.00 178.81 1fae n ASN 567 N -4.41 0.53 0.00 -2.05 6.94 -1.26 -4.90 115.26 110.12 1fae n ASN 567 Ca 0.21 -1.41 0.00 0.00 -0.02 0.00 0.00 54.58 53.37 1fae n ASN 567 Cb 0.91 -0.02 0.00 0.00 -2.36 0.00 0.00 39.78 38.31 1fae n ASN 567 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1fae n GLY 568 N 0.95 0.64 3.69 4.83 0.00 0.09 -5.05 105.19 110.33 1fae n GLY 568 Ca 0.17 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.75 1fae n GLY 568 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1fae n ASP 569 N 0.00 3.37 -4.71 1.61 8.00 -1.25 -4.65 116.55 118.92 1fae n ASP 569 Ca 0.00 1.10 -0.41 0.00 0.71 0.00 0.00 54.79 56.19 1fae n ASP 569 Cb 0.00 -1.49 -0.04 0.00 -0.02 0.00 0.00 41.12 39.57 1fae n ASP 569 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1fae s VAL 570 N 0.69 4.94 -0.27 2.53 1.01 -1.26 -0.58 120.40 127.46 1fae s VAL 570 Ca 0.74 1.75 -0.09 0.00 0.00 0.00 0.00 61.98 64.38 1fae s VAL 570 Cb -0.60 -4.18 -0.03 0.00 0.00 0.00 0.00 36.38 31.56 1fae s VAL 570 CO 0.40 0.17 0.14 -0.63 0.00 0.00 0.00 175.10 175.18 1fae s ILE 571 N 1.11 4.80 -0.01 2.22 1.01 0.16 -4.76 121.20 125.74 1fae s ILE 571 Ca 0.44 -0.07 -0.29 0.00 0.00 0.00 0.00 60.65 60.73 1fae s ILE 571 Cb -0.19 -3.30 0.10 0.00 0.01 0.00 0.00 42.46 39.08 1fae s ILE 571 CO 0.21 0.25 0.91 -1.59 0.00 0.00 0.00 174.94 174.72 1fae s LYS 572 N 1.68 0.81 0.24 2.79 -2.85 -1.26 -1.36 119.74 119.79 1fae s LYS 572 Ca 0.06 -0.31 -0.30 0.00 -1.00 0.00 0.00 55.97 54.43 1fae s LYS 572 Cb -0.16 0.37 -0.15 0.00 -2.06 0.00 0.00 37.83 35.83 1fae s LYS 572 CO 0.07 -0.36 1.10 0.43 0.10 0.00 0.00 175.35 176.70 1fae n SER 573 N -0.25 1.43 0.00 0.03 7.64 -1.26 -2.43 113.62 118.78 1fae n SER 573 Ca -0.08 1.16 0.00 0.00 1.01 0.00 0.00 58.87 60.96 1fae n SER 573 Cb 0.62 -1.27 0.00 0.00 -1.01 0.00 0.00 64.21 62.55 1fae n SER 573 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1fae n GLY 574 N 1.62 3.18 3.75 0.23 0.00 -1.26 -5.04 105.19 107.67 1fae n GLY 574 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 1fae n GLY 574 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1fae s VAL 575 N -2.76 2.49 0.43 1.61 -7.23 -1.02 -4.85 120.40 109.06 1fae s VAL 575 Ca 0.00 0.31 0.08 0.00 -1.81 0.00 0.00 61.98 60.55 1fae s VAL 575 Cb 0.00 -3.13 -0.01 0.00 0.56 0.00 0.00 36.38 33.80 1fae s VAL 575 CO 0.00 -0.06 0.40 -0.54 -0.31 0.00 0.00 175.10 174.59 1fae s LYS 576 N -3.29 2.53 0.20 4.82 -0.14 -1.26 -1.00 119.74 121.60 1fae s LYS 576 Ca 0.78 -1.54 -0.15 0.00 -1.36 0.00 0.00 55.97 53.70 1fae s LYS 576 Cb -0.32 -2.40 0.20 0.00 -1.68 0.00 0.00 37.83 33.63 1fae s LYS 576 CO 0.35 -0.24 1.63 0.35 -0.76 0.00 0.00 175.35 176.68 1fae h PHE 577 N 0.96 -0.36 0.00 3.18 3.57 -1.43 -1.47 116.94 121.39 1fae h PHE 577 Ca -0.41 0.05 -0.05 0.00 3.53 0.00 0.00 57.97 61.09 1fae h PHE 577 Cb 1.27 0.25 -0.01 0.00 2.79 0.00 0.00 35.95 40.25 1fae h PHE 577 CO 0.53 -0.27 -0.25 0.97 -2.23 0.00 0.00 178.31 177.06 1fae h ILE 578 N -0.02 0.95 0.00 1.41 6.09 -1.80 -3.16 117.51 120.98 1fae h ILE 578 Ca 0.28 -0.94 -0.03 0.00 -1.37 0.00 0.00 64.86 62.80 1fae h ILE 578 Cb 0.44 1.54 -0.00 0.00 0.47 0.00 0.00 36.82 39.27 1fae h ILE 578 CO -0.61 0.25 -0.14 0.44 -3.07 0.00 0.00 178.15 175.02 1fae h ASP 579 N 0.00 0.00 -0.52 2.19 3.32 -1.58 -2.42 116.42 117.41 1fae h ASP 579 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1fae h ASP 579 Cb 0.52 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.07 1fae h ASP 579 CO 0.03 0.14 0.00 2.30 -1.72 0.00 0.00 179.24 179.99 1fae n ILE 580 N -4.13 1.53 -2.67 0.35 -5.35 -1.20 -4.42 119.36 103.48 1fae n ILE 580 Ca -0.02 -1.21 -0.08 0.00 -0.27 0.00 0.00 62.75 61.16 1fae n ILE 580 Cb 0.22 0.24 0.06 0.00 -1.74 0.00 0.00 39.64 38.41 1fae n ILE 580 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1fae n ARG 581 N 0.79 1.16 0.18 6.28 1.74 -0.94 -4.98 116.66 120.90 1fae n ARG 581 Ca 0.21 -2.83 0.13 0.00 -0.77 0.00 0.00 57.85 54.59 1fae n ARG 581 Cb 0.72 -0.89 0.65 0.00 -1.02 0.00 0.00 32.46 31.92 1fae n ARG 581 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1fae h SER 582 N 2.70 0.00 0.63 0.55 4.64 -1.70 -1.68 113.55 118.69 1fae h SER 582 Ca -0.15 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.16 1fae h SER 582 Cb 1.22 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1fae h SER 582 CO 0.33 0.00 -0.02 0.11 -0.87 0.00 0.00 176.83 176.38 1fae h LYS 583 N 0.00 0.00 0.00 4.77 1.57 -1.94 -2.21 116.57 118.76 1fae h LYS 583 Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1fae h LYS 583 Cb 0.06 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.37 1fae h LYS 583 CO 0.00 0.02 -0.01 1.88 -0.57 0.00 0.00 179.45 180.77 1fae h TYR 584 N 0.00 0.00 0.00 -1.35 0.05 -1.67 -1.26 116.97 112.74 1fae h TYR 584 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1fae h TYR 584 Cb 0.35 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.09 1fae h TYR 584 CO 0.00 0.01 0.00 1.63 -1.05 0.00 0.00 178.16 178.75 1fae n LYS 585 N -3.75 0.18 0.00 4.88 5.02 -0.83 -1.95 118.16 121.72 1fae n LYS 585 Ca -0.03 0.45 0.13 0.00 -2.02 0.00 0.00 58.31 56.85 1fae n LYS 585 Cb 0.10 -1.88 0.38 0.00 -0.02 0.00 0.00 35.03 33.61 1fae n LYS 585 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1fae n GLN 586 N -2.23 1.40 -2.05 1.97 1.13 -0.48 -4.87 117.38 112.26 1fae n GLN 586 Ca 0.02 -0.90 -0.40 0.00 -1.94 0.00 0.00 57.00 53.77 1fae n GLN 586 Cb 0.20 -1.48 -0.01 0.00 0.11 0.00 0.00 30.24 29.05 1fae n GLN 586 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1fae s ASP 587 N -2.22 6.58 0.54 1.08 2.15 -0.82 -4.90 116.67 119.08 1fae s ASP 587 Ca 0.30 2.73 0.22 0.00 0.43 0.00 0.00 52.55 56.24 1fae s ASP 587 Cb 0.20 -2.65 1.44 0.00 -0.30 0.00 0.00 42.92 41.61 1fae s ASP 587 CO 0.42 -0.67 2.13 -0.65 -0.17 0.00 0.00 175.17 176.22 1fae h PRO 588 N 3.12 0.00 -0.02 4.34 0.11 -1.92 -1.88 132.00 135.76 1fae h PRO 588 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1fae h PRO 588 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1fae h PRO 588 CO 0.64 0.00 -0.17 0.39 -0.21 0.00 0.00 178.00 178.65 1fae n GLU 589 N -4.29 1.46 0.11 1.05 1.02 -1.26 -4.59 120.64 114.13 1fae n GLU 589 Ca 0.00 -1.02 -0.12 0.00 -0.02 0.00 0.00 57.16 56.00 1fae n GLU 589 Cb 0.23 -1.48 -0.06 0.00 -0.02 0.00 0.00 31.44 30.12 1fae n GLU 589 CO 0.00 0.00 0.00 2.35 1.18 0.00 0.00 177.13 180.66 1fae h TRP 590 N 2.49 -0.58 -0.79 -0.32 2.91 -1.62 -1.78 115.95 116.26 1fae h TRP 590 Ca 0.00 0.01 0.04 0.00 1.13 0.00 0.00 58.89 60.07 1fae h TRP 590 Cb 0.65 0.24 -0.05 0.00 -0.51 0.00 0.00 29.16 29.49 1fae h TRP 590 CO 0.00 -0.31 0.50 1.96 -1.03 0.00 0.00 178.44 179.55 1fae h GLN 591 N -0.41 0.93 -0.73 2.65 1.08 -1.81 -0.77 115.11 116.04 1fae h GLN 591 Ca 0.03 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 57.17 1fae h GLN 591 Cb 0.43 -0.21 -0.04 0.00 -0.05 0.00 0.00 27.48 27.62 1fae h GLN 591 CO -0.12 0.61 0.44 1.15 -0.95 0.00 0.00 178.83 179.96 1fae h THR 592 N 0.96 1.21 -0.04 -0.54 2.02 -1.82 0.61 112.91 115.31 1fae h THR 592 Ca 0.32 -0.48 -0.01 0.00 0.77 0.00 0.00 66.41 67.01 1fae h THR 592 Cb 0.04 0.20 -0.00 0.00 -1.74 0.00 0.00 68.15 66.65 1fae h THR 592 CO -0.12 0.22 -0.02 -0.03 0.37 0.00 0.00 175.52 175.94 1fae h MET 593 N 1.00 0.09 -0.89 6.66 1.85 -0.69 -2.53 114.93 120.43 1fae h MET 593 Ca 0.26 -0.04 -0.00 0.00 -0.61 0.00 0.00 59.70 59.31 1fae h MET 593 Cb -0.02 -0.00 -0.04 0.00 0.43 0.00 0.00 31.60 31.96 1fae h MET 593 CO -0.05 0.49 0.55 0.28 -0.40 0.00 0.00 176.91 177.79 1fae h VAL 594 N -0.30 1.24 -1.01 -5.77 2.07 -1.06 -1.74 116.25 109.68 1fae h VAL 594 Ca 0.01 -0.51 0.05 0.00 0.82 0.00 0.00 66.70 67.07 1fae h VAL 594 Cb 0.46 -0.03 -0.06 0.00 -1.52 0.00 0.00 31.29 30.14 1fae h VAL 594 CO 0.01 0.25 0.66 0.00 0.02 0.00 0.00 177.57 178.50 1fae h ALA 595 N 1.30 1.37 -0.33 1.67 0.00 -0.86 0.03 119.26 122.43 1fae h ALA 595 Ca 0.32 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.14 1fae h ALA 595 Cb -0.07 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.37 1fae h ALA 595 CO -0.06 0.51 -0.01 0.00 0.00 0.00 0.00 179.25 179.68 1fae h ALA 596 N 1.43 0.45 -0.73 0.00 0.00 -0.93 -2.28 119.26 117.20 1fae h ALA 596 Ca 0.42 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1fae h ALA 596 Cb 0.08 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1fae h ALA 596 CO -0.15 0.22 0.35 -0.07 0.00 0.00 0.00 179.25 179.60 1fae h LEU 597 N 0.40 0.93 -0.85 0.00 3.38 -0.61 -0.94 115.31 117.61 1fae h LEU 597 Ca 0.09 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 1fae h LEU 597 Cb 0.47 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1fae h LEU 597 CO 0.02 0.79 0.04 1.56 0.09 0.00 0.00 178.44 180.94 1fae h GLN 598 N 1.03 0.90 0.00 1.13 1.08 -0.85 -1.91 115.11 116.48 1fae h GLN 598 Ca 0.25 -0.24 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 1fae h GLN 598 Cb 0.10 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.42 1fae h GLN 598 CO -0.03 0.87 0.00 0.00 -0.95 0.00 0.00 178.83 178.71 1fae n ALA 599 N -2.47 2.62 -1.56 3.87 0.00 -0.87 -4.89 120.51 117.21 1fae n ALA 599 Ca 0.03 -0.13 -0.08 0.00 0.00 0.00 0.00 53.44 53.26 1fae n ALA 599 Cb 0.29 -1.33 -0.02 0.00 0.00 0.00 0.00 19.45 18.38 1fae n ALA 599 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fae n GLY 600 N 0.82 0.67 3.83 0.00 0.00 -0.72 -5.04 105.19 104.76 1fae n GLY 600 Ca 0.15 -0.62 -0.24 0.00 0.00 0.00 0.00 46.02 45.31 1fae n GLY 600 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1fae s GLN 601 N -3.30 2.99 -0.16 1.61 -0.21 -0.39 -5.02 119.66 115.17 1fae s GLN 601 Ca 0.00 -0.90 -0.26 0.00 0.02 0.00 0.00 55.36 54.22 1fae s GLN 601 Cb 0.00 -2.66 -0.01 0.00 1.00 0.00 0.00 33.01 31.33 1fae s GLN 601 CO 0.00 0.46 0.85 0.08 -2.12 0.00 0.00 175.29 174.56 1fae s VAL 602 N -1.89 4.87 0.55 1.09 1.01 -1.26 -4.03 120.40 120.74 1fae s VAL 602 Ca 0.32 1.68 -0.21 0.00 0.00 0.00 0.00 61.98 63.77 1fae s VAL 602 Cb -0.09 -4.16 -0.05 0.00 0.00 0.00 0.00 36.38 32.08 1fae s VAL 602 CO 0.25 0.03 1.29 -2.84 0.00 0.00 0.00 175.10 173.83 1fae s PRO 603 N 2.10 3.15 0.20 2.72 0.02 -1.26 -4.82 135.00 137.11 1fae s PRO 603 Ca 0.39 2.07 0.10 0.00 0.02 0.00 0.00 61.00 63.58 1fae s PRO 603 Cb -0.17 -2.19 -0.04 0.00 0.02 0.00 0.00 34.50 32.12 1fae s PRO 603 CO 0.13 -1.13 -0.19 0.95 -0.33 0.00 0.00 177.00 176.43 1fae s THR 604 N -1.40 2.04 0.06 0.99 -4.23 -1.26 -0.18 115.64 111.65 1fae s THR 604 Ca 0.72 -2.08 -0.09 0.00 -1.18 0.00 0.00 61.69 59.06 1fae s THR 604 Cb -0.36 -2.02 0.00 0.00 1.34 0.00 0.00 72.50 71.46 1fae s THR 604 CO 0.42 -0.34 0.18 -1.10 -0.54 0.00 0.00 174.62 173.25 1fae s GLN 605 N -3.05 0.74 -0.32 3.99 -0.21 0.06 -4.92 119.66 115.94 1fae s GLN 605 Ca 0.21 -0.77 0.01 0.00 0.02 0.00 0.00 55.36 54.83 1fae s GLN 605 Cb -0.05 0.30 0.08 0.00 1.00 0.00 0.00 33.01 34.34 1fae s GLN 605 CO 0.09 -0.22 0.03 0.50 -2.12 0.00 0.00 175.29 173.56 1fae s ARG 606 N -3.06 2.01 0.04 2.91 3.52 -1.26 -0.79 118.95 122.31 1fae s ARG 606 Ca -0.01 -1.58 0.04 0.00 -0.13 0.00 0.00 55.73 54.04 1fae s ARG 606 Cb 0.01 -3.19 -0.04 0.00 -1.56 0.00 0.00 34.95 30.17 1fae s ARG 606 CO -0.07 -0.79 -0.03 -0.51 -0.81 0.00 0.00 175.30 173.09 1fae s LEU 607 N 1.08 3.33 -0.71 -0.88 1.43 -1.26 -4.98 118.68 116.69 1fae s LEU 607 Ca 0.01 -0.15 0.03 0.00 -1.03 0.00 0.00 54.13 53.00 1fae s LEU 607 Cb -0.20 -1.98 0.17 0.00 0.03 0.00 0.00 46.19 44.21 1fae s LEU 607 CO -0.05 0.24 0.51 -1.00 0.23 0.00 0.00 176.35 176.28 1fae s HIS 608 N -1.13 3.57 -0.03 0.29 3.76 -1.26 -4.70 115.29 115.78 1fae s HIS 608 Ca 0.21 -3.25 -0.30 0.00 -0.15 0.00 0.00 55.06 51.57 1fae s HIS 608 Cb -0.11 -2.84 -0.03 0.00 1.11 0.00 0.00 32.58 30.71 1fae s HIS 608 CO 0.12 -0.62 1.06 1.03 -0.85 0.00 0.00 174.74 175.48 1fae s ARG 609 N -1.23 4.46 0.20 1.40 0.52 -1.26 -2.06 118.95 120.98 1fae s ARG 609 Ca 0.24 1.51 -0.11 0.00 -0.52 0.00 0.00 55.73 56.84 1fae s ARG 609 Cb -0.09 -3.49 0.24 0.00 0.52 0.00 0.00 34.95 32.14 1fae s ARG 609 CO -0.13 -0.23 1.71 0.35 0.02 0.00 0.00 175.30 177.02 1fae h PHE 610 N 7.01 0.18 -0.80 -0.53 3.57 -1.28 -1.77 116.94 123.32 1fae h PHE 610 Ca -0.37 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.15 1fae h PHE 610 Cb 1.19 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.89 1fae h PHE 610 CO 0.70 -0.02 0.45 0.11 -2.23 0.00 0.00 178.31 177.32 1fae h TRP 611 N 0.25 1.09 -0.67 0.41 5.08 -1.89 -1.20 115.95 119.02 1fae h TRP 611 Ca 0.28 -0.02 -0.07 0.00 1.08 0.00 0.00 58.89 60.16 1fae h TRP 611 Cb 0.40 -0.35 -0.03 0.00 -3.00 0.00 0.00 29.16 26.18 1fae h TRP 611 CO -0.24 0.76 0.16 0.00 -1.28 0.00 0.00 178.44 177.84 1fae h ALA 612 N 1.24 0.88 -0.41 0.11 0.00 -1.73 0.20 119.26 119.55 1fae h ALA 612 Ca 0.28 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1fae h ALA 612 Cb 0.02 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1fae h ALA 612 CO -0.05 0.60 0.02 1.96 0.00 0.00 0.00 179.25 181.79 1fae h GLN 613 N 1.00 0.71 -0.51 0.00 1.08 -1.14 -1.61 115.11 114.63 1fae h GLN 613 Ca 0.21 -0.22 -0.09 0.00 -1.45 0.00 0.00 58.65 57.10 1fae h GLN 613 Cb 0.37 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.71 1fae h GLN 613 CO 0.00 0.78 -0.05 0.77 -0.95 0.00 0.00 178.83 179.39 1fae h SER 614 N 0.55 0.93 -0.73 1.46 0.02 -1.06 -1.54 113.55 113.17 1fae h SER 614 Ca 0.12 -0.33 0.07 0.00 -0.84 0.00 0.00 61.79 60.81 1fae h SER 614 Cb 0.45 -0.25 -0.06 0.00 0.14 0.00 0.00 62.40 62.68 1fae h SER 614 CO 0.02 1.04 0.41 -0.08 -1.14 0.00 0.00 176.83 177.07 1fae h GLU 615 N 0.80 0.70 -0.13 3.45 4.57 -0.47 0.18 114.58 123.68 1fae h GLU 615 Ca 0.14 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.25 1fae h GLU 615 Cb 0.59 -0.16 -0.00 0.00 -0.16 0.00 0.00 28.75 29.02 1fae h GLU 615 CO 0.04 0.47 -0.02 0.35 -1.18 0.00 0.00 179.01 178.66 1fae h PHE 616 N 0.72 0.27 0.06 0.92 3.57 -1.05 -0.77 116.94 120.67 1fae h PHE 616 Ca 0.34 -0.06 0.01 0.00 3.53 0.00 0.00 57.97 61.79 1fae h PHE 616 Cb 0.26 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.91 1fae h PHE 616 CO -0.08 0.52 -0.11 0.00 -2.23 0.00 0.00 178.31 176.41 1fae h ALA 617 N 0.71 -0.17 -0.84 2.41 0.00 -0.83 -2.27 119.26 118.27 1fae h ALA 617 Ca 0.03 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.97 1fae h ALA 617 Cb 0.43 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.34 1fae h ALA 617 CO 0.01 -0.62 0.54 0.28 0.00 0.00 0.00 179.25 179.46 1fae h VAL 618 N -0.22 1.13 -0.67 0.00 2.07 -0.63 -1.73 116.25 116.21 1fae h VAL 618 Ca 0.02 -0.36 0.04 0.00 0.82 0.00 0.00 66.70 67.22 1fae h VAL 618 Cb 0.24 -0.01 -0.04 0.00 -1.52 0.00 0.00 31.29 29.96 1fae h VAL 618 CO -0.07 0.19 0.44 0.00 0.02 0.00 0.00 177.57 178.15 1fae h ALA 619 N 1.35 1.66 -0.36 1.67 0.00 -0.82 -0.24 119.26 122.52 1fae h ALA 619 Ca 0.34 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 55.06 1fae h ALA 619 Cb 0.01 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 1fae h ALA 619 CO -0.12 0.26 -0.41 -0.91 0.00 0.00 0.00 179.25 178.08 1fae h ASN 620 N 0.77 0.98 -0.42 0.00 2.35 -0.75 -2.54 115.58 115.96 1fae h ASN 620 Ca 0.27 -0.48 -0.09 0.00 -0.55 0.00 0.00 56.30 55.45 1fae h ASN 620 Cb 0.12 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.19 1fae h ASN 620 CO -0.08 1.26 -0.08 1.23 -1.65 0.00 0.00 177.43 178.11 1fae h GLY 621 N 0.72 0.93 1.00 2.83 0.00 -0.74 -1.56 103.07 106.25 1fae h GLY 621 Ca 0.05 -0.70 -0.04 0.00 0.00 0.00 0.00 47.33 46.64 1fae h GLY 621 CO 0.10 0.64 0.19 -2.08 0.00 0.00 0.00 176.54 175.39 1fae h VAL 622 N 0.78 1.24 -0.46 4.60 2.07 -1.06 -1.59 116.25 121.83 1fae h VAL 622 Ca 0.13 -0.79 -0.12 0.00 0.82 0.00 0.00 66.70 66.74 1fae h VAL 622 Cb 0.58 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1fae h VAL 622 CO 0.04 0.30 -0.19 0.22 0.02 0.00 0.00 177.57 177.96 1fae h TYR 623 N 0.80 1.07 -0.87 1.57 3.20 -1.29 -1.37 116.97 120.07 1fae h TYR 623 Ca 0.19 -0.26 0.02 0.00 3.14 0.00 0.00 58.73 61.82 1fae h TYR 623 Cb 0.27 -0.25 -0.05 0.00 1.54 0.00 0.00 36.73 38.24 1fae h TYR 623 CO 0.02 1.06 0.58 0.00 -1.64 0.00 0.00 178.16 178.17 1fae h ALA 624 N 0.86 1.41 0.00 1.82 0.00 -0.99 -0.52 119.26 121.84 1fae h ALA 624 Ca 0.11 -0.05 -0.19 0.00 0.00 0.00 0.00 54.91 54.78 1fae h ALA 624 Cb 0.75 -0.33 0.02 0.00 0.00 0.00 0.00 17.79 18.23 1fae h ALA 624 CO 0.06 0.52 -0.74 0.82 0.00 0.00 0.00 179.25 179.91 1fae h ILE 625 N 1.14 1.38 0.00 0.00 2.04 -1.06 0.49 117.51 121.51 1fae h ILE 625 Ca 0.33 -2.14 -0.05 0.00 1.00 0.00 0.00 64.86 64.01 1fae h ILE 625 Cb -0.06 2.55 -0.01 0.00 -0.74 0.00 0.00 36.82 38.56 1fae h ILE 625 CO -0.09 0.63 -0.40 -0.07 0.00 0.00 0.00 178.15 178.23 1fae h LEU 626 N 0.04 0.00 -6.01 1.44 3.38 -1.12 -3.39 115.31 109.65 1fae h LEU 626 Ca -0.09 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.31 1fae h LEU 626 Cb 1.44 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.78 1fae h LEU 626 CO 0.15 0.20 -0.92 0.49 0.09 0.00 0.00 178.44 178.44 1fae n PHE 627 N -3.07 1.28 -0.07 1.13 3.01 -0.22 -4.96 117.46 114.56 1fae n PHE 627 Ca 0.02 -3.81 0.10 0.00 1.01 0.00 0.00 57.45 54.77 1fae n PHE 627 Cb 0.62 -0.43 0.47 0.00 -0.01 0.00 0.00 39.48 40.13 1fae n PHE 627 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1fae h PRO 628 N 3.87 0.45 -0.01 -1.08 0.11 -1.76 -3.41 132.00 130.18 1fae h PRO 628 Ca 0.12 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.20 1fae h PRO 628 Cb 0.79 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.80 1fae h PRO 628 CO 0.61 0.30 0.00 -0.25 -0.21 0.00 0.00 178.00 178.45