#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fba n THR 2 N 0.00 0.39 -3.36 12.58 -2.24 -1.26 -4.81 114.28 115.58 1fba n THR 2 Ca 0.00 -0.59 -0.43 0.00 -2.27 0.00 0.00 64.05 60.76 1fba n THR 2 Cb 0.00 -0.15 -0.09 0.00 -2.10 0.00 0.00 70.33 68.00 1fba n THR 2 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1fba s TYR 3 N -3.26 3.19 0.16 4.78 2.02 -1.26 -5.00 117.35 117.98 1fba s TYR 3 Ca -0.08 -0.57 -0.25 0.00 -0.37 0.00 0.00 57.07 55.80 1fba s TYR 3 Cb 0.12 -2.92 0.06 0.00 -0.40 0.00 0.00 41.96 38.82 1fba s TYR 3 CO 0.88 -0.72 0.87 -0.59 -1.57 0.00 0.00 175.55 174.43 1fba s PHE 4 N 1.94 -0.20 -0.19 2.71 -0.71 -1.26 -5.16 117.98 115.10 1fba s PHE 4 Ca 0.09 -0.11 -0.06 0.00 -1.04 0.00 0.00 56.93 55.81 1fba s PHE 4 Cb -0.19 0.63 -0.03 0.00 -1.21 0.00 0.00 43.02 42.22 1fba s PHE 4 CO 0.11 -0.88 0.02 -0.80 -1.34 0.00 0.00 175.22 172.34 1fba s ASN 5 N -2.86 5.11 0.69 1.98 0.01 -1.26 -5.10 114.94 113.51 1fba s ASN 5 Ca 0.10 -0.10 -0.13 0.00 -0.71 0.00 0.00 52.86 52.02 1fba s ASN 5 Cb -0.02 -1.87 0.01 0.00 0.41 0.00 0.00 41.25 39.77 1fba s ASN 5 CO 0.01 0.10 1.08 -0.31 -1.51 0.00 0.00 177.10 176.46 1fba s TYR 6 N 0.79 2.86 0.84 2.20 2.02 -1.26 -5.02 117.35 119.77 1fba s TYR 6 Ca 0.01 1.50 -0.11 0.00 -0.37 0.00 0.00 57.07 58.11 1fba s TYR 6 Cb -0.14 -3.00 0.10 0.00 -0.40 0.00 0.00 41.96 38.52 1fba s TYR 6 CO 0.02 -1.43 1.13 -1.25 -1.57 0.00 0.00 175.55 172.45 1fba s PRO 7 N -4.62 1.61 0.72 -1.71 0.04 -1.26 -4.97 135.00 124.80 1fba s PRO 7 Ca 0.62 1.43 -0.15 0.00 0.04 0.00 0.00 61.00 62.94 1fba s PRO 7 Cb -0.16 -1.80 0.03 0.00 0.04 0.00 0.00 34.50 32.60 1fba s PRO 7 CO 0.49 -2.17 1.20 -1.54 0.04 0.00 0.00 177.00 175.02 1fba s SER 8 N -2.86 4.33 0.26 6.66 1.04 -1.26 -4.76 113.70 117.10 1fba s SER 8 Ca 0.65 2.33 -0.01 0.00 0.48 0.00 0.00 55.95 59.40 1fba s SER 8 Cb -0.21 -2.59 0.53 0.00 0.10 0.00 0.00 66.02 63.85 1fba s SER 8 CO 0.56 -2.17 1.76 0.50 0.98 0.00 0.00 173.24 174.86 1fba h LYS 9 N -0.20 0.59 -0.69 4.02 3.64 -1.99 -0.58 116.57 121.35 1fba h LYS 9 Ca -0.48 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 58.87 1fba h LYS 9 Cb 1.29 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.94 1fba h LYS 9 CO 0.50 0.39 0.43 0.93 -2.27 0.00 0.00 179.45 179.44 1fba h GLU 10 N 0.61 0.93 -0.27 1.90 3.07 -2.00 -0.67 114.58 118.16 1fba h GLU 10 Ca 0.46 -0.08 -0.10 0.00 -0.50 0.00 0.00 59.36 59.14 1fba h GLU 10 Cb 0.66 -0.20 -0.00 0.00 -0.84 0.00 0.00 28.75 28.36 1fba h GLU 10 CO -0.37 0.65 -0.24 1.25 -1.40 0.00 0.00 179.01 178.90 1fba h LEU 11 N 0.94 0.67 -0.25 1.33 5.85 -1.67 -2.17 115.31 120.00 1fba h LEU 11 Ca 0.25 -0.46 0.05 0.00 0.84 0.00 0.00 57.88 58.55 1fba h LEU 11 Cb -0.05 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 40.74 1fba h LEU 11 CO -0.05 1.00 -0.03 1.56 -0.34 0.00 0.00 178.44 180.58 1fba h GLN 12 N 0.36 0.04 -0.42 1.25 4.20 -0.84 -0.40 115.11 119.30 1fba h GLN 12 Ca 0.05 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.75 1fba h GLN 12 Cb 0.80 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.55 1fba h GLN 12 CO 0.06 0.03 0.24 -0.44 -0.67 0.00 0.00 178.83 178.05 1fba h ASP 13 N 0.04 0.53 0.20 1.46 3.32 -1.10 0.31 116.42 121.18 1fba h ASP 13 Ca 0.12 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 1fba h ASP 13 Cb 0.17 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.59 1fba h ASP 13 CO -0.23 0.46 -0.10 -0.08 -1.72 0.00 0.00 179.24 177.57 1fba h GLU 14 N 0.55 -0.26 -0.56 3.56 4.81 -0.95 -0.22 114.58 121.51 1fba h GLU 14 Ca 0.15 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.41 1fba h GLU 14 Cb 0.04 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 1fba h GLU 14 CO -0.02 -0.12 0.36 -0.07 -0.73 0.00 0.00 179.01 178.42 1fba h LEU 15 N -0.34 0.62 -0.45 1.64 3.38 -0.99 -1.76 115.31 117.41 1fba h LEU 15 Ca -0.03 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1fba h LEU 15 Cb 0.26 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1fba h LEU 15 CO 0.05 0.44 0.26 -0.09 0.09 0.00 0.00 178.44 179.19 1fba h ARG 16 N 0.74 0.62 -0.72 1.13 2.43 -0.78 -2.18 114.38 115.62 1fba h ARG 16 Ca 0.21 -0.06 0.03 0.00 -0.81 0.00 0.00 59.98 59.34 1fba h ARG 16 Cb -0.06 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.32 1fba h ARG 16 CO -0.06 0.47 0.46 1.49 -1.51 0.00 0.00 179.97 180.82 1fba h GLU 17 N 0.60 0.87 -0.17 0.20 4.81 -0.82 -0.38 114.58 119.69 1fba h GLU 17 Ca 0.16 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 1fba h GLU 17 Cb 0.02 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.20 1fba h GLU 17 CO -0.03 0.58 0.06 0.82 -0.73 0.00 0.00 179.01 179.71 1fba h ILE 18 N 0.90 1.16 -0.60 2.32 2.04 -1.11 -1.70 117.51 120.52 1fba h ILE 18 Ca 0.28 -0.50 -0.00 0.00 1.00 0.00 0.00 64.86 65.65 1fba h ILE 18 Cb -0.01 1.18 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 1fba h ILE 18 CO -0.10 0.16 0.37 0.00 0.00 0.00 0.00 178.15 178.58 1fba h ALA 19 N 0.90 0.77 -0.55 1.87 0.00 -1.12 -1.77 119.26 119.36 1fba h ALA 19 Ca 0.06 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.93 1fba h ALA 19 Cb 0.19 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 1fba h ALA 19 CO -0.00 0.24 0.33 1.96 0.00 0.00 0.00 179.25 181.77 1fba h GLN 20 N 0.82 0.63 -0.75 0.00 4.20 -1.02 -2.68 115.11 116.30 1fba h GLN 20 Ca 0.22 -0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.90 1fba h GLN 20 Cb -0.04 -0.14 -0.04 0.00 0.30 0.00 0.00 27.48 27.56 1fba h GLN 20 CO -0.04 0.42 0.50 0.87 -0.67 0.00 0.00 178.83 179.90 1fba h LYS 21 N 0.65 0.99 -0.46 1.46 1.57 -0.80 -2.59 116.57 117.39 1fba h LYS 21 Ca 0.22 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.89 1fba h LYS 21 Cb 0.03 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.10 1fba h LYS 21 CO -0.10 0.66 0.08 0.82 -0.57 0.00 0.00 179.45 180.34 1fba h ILE 22 N 1.02 1.21 -0.64 1.86 2.04 -1.02 -2.93 117.51 119.05 1fba h ILE 22 Ca 0.28 -0.79 -0.19 0.00 1.00 0.00 0.00 64.86 65.16 1fba h ILE 22 Cb -0.12 0.77 -0.11 0.00 -0.74 0.00 0.00 36.82 36.63 1fba h ILE 22 CO -0.06 0.28 0.20 1.33 0.00 0.00 0.00 178.15 179.91 1fba n VAL 23 N -4.28 2.82 -1.60 1.67 0.24 -1.05 -4.44 118.33 111.69 1fba n VAL 23 Ca 0.03 -1.81 -0.43 0.00 -2.04 0.00 0.00 64.34 60.09 1fba n VAL 23 Cb 0.23 -0.34 -0.00 0.00 -1.47 0.00 0.00 33.84 32.25 1fba n VAL 23 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1fba n ALA 24 N -0.35 0.06 -1.56 2.33 0.00 -1.00 -4.82 120.51 115.18 1fba n ALA 24 Ca 0.38 0.31 -0.53 0.00 0.00 0.00 0.00 53.44 53.60 1fba n ALA 24 Cb 1.29 -2.06 -0.06 0.00 0.00 0.00 0.00 19.45 18.62 1fba n ALA 24 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1fba n PRO 25 N 0.47 0.81 -0.96 0.00 -0.02 -1.26 -0.92 135.00 133.11 1fba n PRO 25 Ca 0.09 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 1fba n PRO 25 Cb 0.36 -1.83 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 1fba n PRO 25 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1fba n GLY 26 N 2.11 0.51 3.51 -1.23 0.00 -1.26 -5.02 105.19 103.81 1fba n GLY 26 Ca 0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 1fba n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fba s LYS 27 N -0.37 1.83 0.06 1.61 1.02 -0.10 -4.32 119.74 119.47 1fba s LYS 27 Ca 0.00 -1.30 -0.00 0.00 0.02 0.00 0.00 55.97 54.69 1fba s LYS 27 Cb 0.00 -2.07 0.00 0.00 -0.52 0.00 0.00 37.83 35.24 1fba s LYS 27 CO 0.00 0.44 0.08 0.41 -0.92 0.00 0.00 175.35 175.37 1fba n GLY 28 N 0.36 2.97 3.52 -3.33 0.00 0.13 -4.66 105.19 104.18 1fba n GLY 28 Ca -0.13 -1.42 -0.32 0.00 0.00 0.00 0.00 46.02 44.15 1fba n GLY 28 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1fba s ILE 29 N -2.50 3.29 -0.36 -0.61 1.01 0.31 -1.16 121.20 121.18 1fba s ILE 29 Ca 0.05 -0.76 -0.13 0.00 0.00 0.00 0.00 60.65 59.80 1fba s ILE 29 Cb -0.00 -2.35 -0.00 0.00 0.01 0.00 0.00 42.46 40.11 1fba s ILE 29 CO 0.04 0.50 0.26 -0.22 0.00 0.00 0.00 174.94 175.51 1fba s LEU 30 N -1.04 4.72 -0.49 2.97 2.96 -0.21 -2.16 118.68 125.43 1fba s LEU 30 Ca 0.14 -0.61 -0.22 0.00 -0.22 0.00 0.00 54.13 53.22 1fba s LEU 30 Cb -0.11 -2.14 0.04 0.00 0.50 0.00 0.00 46.19 44.48 1fba s LEU 30 CO 0.03 -0.31 0.75 0.00 -1.32 0.00 0.00 176.35 175.50 1fba s ALA 31 N 1.70 3.29 -0.23 5.97 0.00 -0.13 -0.58 121.76 131.78 1fba s ALA 31 Ca 0.06 -1.35 0.12 0.00 0.00 0.00 0.00 51.96 50.79 1fba s ALA 31 Cb -0.18 -3.47 0.45 0.00 0.00 0.00 0.00 23.12 19.91 1fba s ALA 31 CO 0.10 -2.05 1.19 0.00 0.00 0.00 0.00 175.76 175.00 1fba n ALA 32 N 6.66 3.99 -0.54 0.00 0.00 -0.14 -4.30 120.51 126.18 1fba n ALA 32 Ca -0.01 -3.36 0.03 0.00 0.00 0.00 0.00 53.44 50.10 1fba n ALA 32 Cb 0.47 -0.42 0.31 0.00 0.00 0.00 0.00 19.45 19.81 1fba n ALA 32 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1fba n ASP 33 N -0.76 4.71 -4.75 0.00 5.75 -0.99 -4.11 116.55 116.40 1fba n ASP 33 Ca 0.27 -2.80 -0.41 0.00 -0.01 0.00 0.00 54.79 51.84 1fba n ASP 33 Cb 0.86 -0.66 -0.01 0.00 -1.03 0.00 0.00 41.12 40.27 1fba n ASP 33 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1fba s GLU 34 N -2.44 4.10 0.74 0.11 8.01 -1.26 -4.43 118.70 123.54 1fba s GLU 34 Ca 0.44 2.61 -0.12 0.00 0.01 0.00 0.00 54.97 57.91 1fba s GLU 34 Cb 0.34 -3.01 0.04 0.00 -4.31 0.00 0.00 34.13 27.19 1fba s GLU 34 CO 0.12 -0.65 1.11 -1.54 0.01 0.00 0.00 175.26 174.31 1fba s SER 35 N 0.46 5.08 0.21 -0.19 1.04 -1.26 -4.69 113.70 114.35 1fba s SER 35 Ca 0.63 1.14 -0.20 0.00 0.48 0.00 0.00 55.95 58.00 1fba s SER 35 Cb -0.48 -1.89 0.17 0.00 0.10 0.00 0.00 66.02 63.92 1fba s SER 35 CO 0.50 -1.57 1.56 1.23 0.98 0.00 0.00 173.24 175.93 1fba h GLY 36 N -0.82 -0.10 0.91 7.32 0.00 -1.98 0.37 103.07 108.76 1fba h GLY 36 Ca -0.46 0.54 -0.01 0.00 0.00 0.00 0.00 47.33 47.40 1fba h GLY 36 CO 0.63 -0.17 0.10 -2.55 0.00 0.00 0.00 176.54 174.54 1fba h PRO 37 N -0.05 0.34 -0.04 4.80 0.11 -1.99 -1.77 132.00 133.39 1fba h PRO 37 Ca 0.29 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.35 1fba h PRO 37 Cb 0.57 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.62 1fba h PRO 37 CO -0.91 0.38 0.02 1.15 -0.21 0.00 0.00 178.00 178.43 1fba h THR 38 N 0.22 1.06 -0.65 -1.15 2.02 -1.62 -2.07 112.91 110.73 1fba h THR 38 Ca 0.08 -0.18 0.11 0.00 0.77 0.00 0.00 66.41 67.18 1fba h THR 38 Cb 0.16 1.11 -0.04 0.00 -1.74 0.00 0.00 68.15 67.64 1fba h THR 38 CO -0.01 0.05 0.44 -0.03 0.37 0.00 0.00 175.52 176.34 1fba h MET 39 N -0.00 0.45 -0.97 6.66 -1.53 -0.27 -1.36 114.93 117.90 1fba h MET 39 Ca 0.02 -0.03 0.01 0.00 -3.44 0.00 0.00 59.70 56.26 1fba h MET 39 Cb 0.07 -0.10 -0.05 0.00 -0.55 0.00 0.00 31.60 30.97 1fba h MET 39 CO -0.00 0.30 0.64 0.78 0.14 0.00 0.00 176.91 178.76 1fba h GLY 40 N 0.46 1.37 0.98 1.39 0.00 -0.61 -1.36 103.07 105.30 1fba h GLY 40 Ca 0.30 -0.51 -0.06 0.00 0.00 0.00 0.00 47.33 47.06 1fba h GLY 40 CO -0.09 0.49 0.05 0.50 0.00 0.00 0.00 176.54 177.49 1fba h LYS 41 N 1.31 0.81 -0.67 4.80 1.57 -0.98 -0.26 116.57 123.15 1fba h LYS 41 Ca 0.36 -0.23 -0.03 0.00 -1.87 0.00 0.00 60.65 58.87 1fba h LYS 41 Cb -0.14 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.06 1fba h LYS 41 CO -0.08 0.83 0.28 0.00 -0.57 0.00 0.00 179.45 179.91 1fba h ARG 42 N 0.67 0.99 -0.25 3.15 2.47 -1.30 -2.58 114.38 117.53 1fba h ARG 42 Ca 0.14 -0.17 -0.14 0.00 -1.26 0.00 0.00 59.98 58.56 1fba h ARG 42 Cb 0.43 -0.17 -0.00 0.00 -1.65 0.00 0.00 29.97 28.59 1fba h ARG 42 CO 0.01 0.82 -0.37 -0.07 0.56 0.00 0.00 179.97 180.92 1fba h LEU 43 N 0.94 0.76 -0.78 3.04 3.38 -1.14 -3.14 115.31 118.37 1fba h LEU 43 Ca 0.23 -0.52 0.09 0.00 0.09 0.00 0.00 57.88 57.77 1fba h LEU 43 Cb 0.18 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 40.64 1fba h LEU 43 CO -0.02 1.13 0.43 -0.61 0.09 0.00 0.00 178.44 179.45 1fba h GLN 44 N 0.41 0.70 0.00 1.13 4.15 -0.84 0.60 115.11 121.26 1fba h GLN 44 Ca 0.02 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.40 1fba h GLN 44 Cb 0.97 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 28.50 1fba h GLN 44 CO 0.09 0.47 0.00 0.38 -1.93 0.00 0.00 178.83 177.83 1fba h ASP 45 N 0.73 0.00 -0.12 -0.69 3.04 -1.43 0.85 116.42 118.79 1fba h ASP 45 Ca 0.38 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.17 1fba h ASP 45 Cb 0.35 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.64 1fba h ASP 45 CO -0.25 0.00 0.00 2.30 -2.04 0.00 0.00 179.24 179.25 1fba n ILE 46 N -2.95 0.13 -1.97 4.15 -5.35 -0.28 -4.94 119.36 108.15 1fba n ILE 46 Ca 0.01 -0.53 -0.03 0.00 -0.27 0.00 0.00 62.75 61.93 1fba n ILE 46 Cb 0.33 1.23 -0.00 0.00 -1.74 0.00 0.00 39.64 39.46 1fba n ILE 46 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1fba n GLY 47 N 1.36 0.27 3.67 3.28 0.00 0.29 -4.78 105.19 109.29 1fba n GLY 47 Ca 0.16 -0.77 -0.33 0.00 0.00 0.00 0.00 46.02 45.09 1fba n GLY 47 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fba s VAL 48 N -2.16 4.12 0.09 1.61 1.01 0.19 -4.96 120.40 120.31 1fba s VAL 48 Ca 0.00 -0.60 -0.26 0.00 0.00 0.00 0.00 61.98 61.13 1fba s VAL 48 Cb 0.00 -2.83 -0.06 0.00 0.00 0.00 0.00 36.38 33.49 1fba s VAL 48 CO 0.00 0.39 0.80 -0.70 0.00 0.00 0.00 175.10 175.59 1fba s GLU 49 N -1.51 4.55 -1.26 2.72 2.12 -1.26 -2.74 118.70 121.33 1fba s GLU 49 Ca 0.19 1.15 -0.19 0.00 0.36 0.00 0.00 54.97 56.48 1fba s GLU 49 Cb -0.11 -3.33 0.07 0.00 0.26 0.00 0.00 34.13 31.01 1fba s GLU 49 CO 0.10 0.37 1.69 1.21 -0.54 0.00 0.00 175.26 178.09 1fba s ASN 50 N -0.42 6.79 0.12 -1.70 2.47 -1.26 -4.71 114.94 116.24 1fba s ASN 50 Ca 0.39 -2.31 0.09 0.00 0.42 0.00 0.00 52.86 51.45 1fba s ASN 50 Cb -0.22 -2.58 -0.04 0.00 -1.45 0.00 0.00 41.25 36.97 1fba s ASN 50 CO 0.25 -1.21 -0.17 0.28 -3.72 0.00 0.00 177.10 172.52 1fba s THR 51 N 4.30 2.87 0.34 -5.21 -1.32 -1.26 -5.01 115.64 110.35 1fba s THR 51 Ca 0.53 -1.52 0.11 0.00 -1.21 0.00 0.00 61.69 59.59 1fba s THR 51 Cb 0.03 -2.33 0.33 0.00 -1.51 0.00 0.00 72.50 69.03 1fba s THR 51 CO 0.05 0.08 1.78 -0.08 -2.21 0.00 0.00 174.62 174.24 1fba h GLU 52 N 3.66 0.59 -0.05 7.08 4.81 -2.00 0.29 114.58 128.96 1fba h GLU 52 Ca -0.50 -0.04 -0.20 0.00 -0.13 0.00 0.00 59.36 58.50 1fba h GLU 52 Cb 1.17 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 30.42 1fba h GLU 52 CO 0.47 0.39 -0.80 0.22 -0.73 0.00 0.00 179.01 178.55 1fba h ASP 53 N 0.60 0.47 -0.40 1.04 3.58 -1.96 -0.90 116.42 118.85 1fba h ASP 53 Ca 0.58 -0.33 -0.01 0.00 0.42 0.00 0.00 57.03 57.69 1fba h ASP 53 Cb 1.12 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 42.01 1fba h ASP 53 CO -0.35 1.10 0.23 0.78 -2.88 0.00 0.00 179.24 178.12 1fba h ASN 54 N 0.25 0.49 -0.21 2.28 4.21 -0.82 0.28 115.58 122.06 1fba h ASN 54 Ca -0.05 -0.07 -0.00 0.00 1.21 0.00 0.00 56.30 57.39 1fba h ASN 54 Cb 1.40 -0.12 -0.01 0.00 -1.12 0.00 0.00 38.32 38.46 1fba h ASN 54 CO 0.14 0.42 0.12 0.03 -1.29 0.00 0.00 177.43 176.85 1fba h ARG 55 N 0.52 0.28 -0.65 0.81 3.08 -0.88 -0.82 114.38 116.72 1fba h ARG 55 Ca 0.14 -0.03 0.10 0.00 0.07 0.00 0.00 59.98 60.26 1fba h ARG 55 Cb 0.03 -0.06 -0.07 0.00 0.08 0.00 0.00 29.97 29.95 1fba h ARG 55 CO -0.02 0.24 0.26 -0.09 -1.07 0.00 0.00 179.97 179.29 1fba h ARG 56 N 0.24 0.44 0.49 0.04 2.43 -0.86 -0.72 114.38 116.44 1fba h ARG 56 Ca 0.07 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.20 1fba h ARG 56 Cb 0.04 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.48 1fba h ARG 56 CO -0.01 0.29 -0.30 0.00 -1.51 0.00 0.00 179.97 178.44 1fba h ALA 57 N 1.44 -0.75 -0.48 2.80 0.00 0.06 0.12 119.26 122.45 1fba h ALA 57 Ca 0.33 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 55.13 1fba h ALA 57 Cb 0.41 0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 1fba h ALA 57 CO -0.31 -0.94 0.32 -0.92 0.00 0.00 0.00 179.25 177.40 1fba h TYR 58 N -0.75 0.47 0.01 0.00 3.20 -0.78 -1.64 116.97 117.49 1fba h TYR 58 Ca -0.06 0.01 -0.20 0.00 3.14 0.00 0.00 58.73 61.62 1fba h TYR 58 Cb 0.61 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.71 1fba h TYR 58 CO -0.09 0.27 -0.91 0.00 -1.64 0.00 0.00 178.16 175.78 1fba h ARG 59 N 0.48 0.18 -0.50 1.82 -0.00 -0.83 -2.98 114.38 112.55 1fba h ARG 59 Ca 0.20 -0.21 -0.01 0.00 -0.50 0.00 0.00 59.98 59.46 1fba h ARG 59 Cb 0.19 0.06 -0.02 0.00 0.00 0.00 0.00 29.97 30.20 1fba h ARG 59 CO -0.05 0.97 0.27 0.37 0.00 0.00 0.00 179.97 181.54 1fba h GLN 60 N 0.10 0.70 0.13 0.04 4.15 -0.07 -1.66 115.11 118.51 1fba h GLN 60 Ca -0.05 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.29 1fba h GLN 60 Cb 1.56 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 29.08 1fba h GLN 60 CO 0.14 0.55 -0.33 1.25 -1.93 0.00 0.00 178.83 178.51 1fba h LEU 61 N 0.67 -0.98 -0.55 -2.39 6.46 -1.30 0.81 115.31 118.03 1fba h LEU 61 Ca 0.18 0.10 0.11 0.00 -0.12 0.00 0.00 57.88 58.14 1fba h LEU 61 Cb 0.05 0.35 -0.11 0.00 -0.73 0.00 0.00 40.66 40.23 1fba h LEU 61 CO -0.03 -0.37 -0.19 -0.07 -0.62 0.00 0.00 178.44 177.16 1fba h LEU 62 N -0.52 -0.68 -0.53 2.25 3.38 -1.39 -2.19 115.31 115.64 1fba h LEU 62 Ca -0.01 0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1fba h LEU 62 Cb 0.50 0.40 0.00 0.00 0.09 0.00 0.00 40.66 41.65 1fba h LEU 62 CO -0.15 -0.22 0.00 -0.26 0.09 0.00 0.00 178.44 177.90 1fba h PHE 63 N -0.06 0.00 -0.02 1.13 0.04 -1.11 -3.11 116.94 113.81 1fba h PHE 63 Ca 0.26 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.03 1fba h PHE 63 Cb 0.46 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.61 1fba h PHE 63 CO -0.50 0.00 -0.02 -1.13 -0.60 0.00 0.00 178.31 176.06 1fba n SER 64 N -3.02 2.04 -4.52 2.17 3.41 0.26 -4.77 113.62 109.19 1fba n SER 64 Ca 0.03 -1.66 -0.37 0.00 -0.26 0.00 0.00 58.87 56.61 1fba n SER 64 Cb 0.44 0.02 0.06 0.00 -0.26 0.00 0.00 64.21 64.47 1fba n SER 64 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1fba n THR 65 N 0.57 2.44 -1.54 6.66 -1.04 -1.16 -4.83 114.28 115.38 1fba n THR 65 Ca 0.17 -0.44 -0.52 0.00 -2.04 0.00 0.00 64.05 61.23 1fba n THR 65 Cb 0.45 -0.86 -0.05 0.00 -1.82 0.00 0.00 70.33 68.05 1fba n THR 65 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1fba n ASP 66 N -0.44 0.76 0.00 8.00 -0.08 -1.26 -4.75 116.55 118.79 1fba n ASP 66 Ca 0.12 1.14 0.00 0.00 -1.51 0.00 0.00 54.79 54.54 1fba n ASP 66 Cb 0.49 -1.11 0.00 0.00 2.34 0.00 0.00 41.12 42.84 1fba n ASP 66 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 1fba n PRO 67 N 1.72 0.00 0.31 -0.67 -0.01 -1.26 -0.55 135.00 134.53 1fba n PRO 67 Ca 0.17 0.40 0.19 0.00 -0.01 0.00 0.00 63.50 64.25 1fba n PRO 67 Cb 0.20 -1.60 1.00 0.00 -0.01 0.00 0.00 33.50 33.09 1fba n PRO 67 CO 0.00 0.00 0.00 -0.22 -0.01 0.00 0.00 175.50 175.27 1fba h LYS 68 N 0.00 0.00 -0.89 -0.52 3.64 -1.98 -2.22 116.57 114.60 1fba h LYS 68 Ca 0.00 0.00 0.12 0.00 -1.27 0.00 0.00 60.65 59.50 1fba h LYS 68 Cb 0.20 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 31.96 1fba h LYS 68 CO 0.00 0.02 0.57 1.25 -2.27 0.00 0.00 179.45 179.02 1fba h LEU 69 N 0.00 0.72 -0.43 5.20 5.85 -1.14 -0.99 115.31 124.51 1fba h LEU 69 Ca -0.00 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1fba h LEU 69 Cb 0.16 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.08 1fba h LEU 69 CO 0.00 0.39 0.00 0.00 -0.34 0.00 0.00 178.44 178.49 1fba n ALA 70 N -2.42 1.05 0.19 1.25 0.00 -0.83 -1.29 120.51 118.46 1fba n ALA 70 Ca 0.17 0.06 0.06 0.00 0.00 0.00 0.00 53.44 53.73 1fba n ALA 70 Cb 0.40 -1.11 0.34 0.00 0.00 0.00 0.00 19.45 19.09 1fba n ALA 70 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1fba h GLU 71 N 0.00 0.00 0.00 0.00 5.08 -1.38 -3.34 114.58 114.94 1fba h GLU 71 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1fba h GLU 71 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1fba h GLU 71 CO 0.00 0.35 -0.11 0.09 -1.00 0.00 0.00 179.01 178.34 1fba n ASN 72 N -3.49 0.53 -4.16 1.42 3.02 -0.41 -4.59 115.26 107.58 1fba n ASN 72 Ca -0.00 -0.29 -0.35 0.00 -0.03 0.00 0.00 54.58 53.91 1fba n ASN 72 Cb 0.50 0.68 -0.13 0.00 -0.61 0.00 0.00 39.78 40.22 1fba n ASN 72 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1fba s ILE 73 N -0.79 3.07 0.08 2.41 -1.09 -0.47 -0.69 121.20 123.72 1fba s ILE 73 Ca 0.00 -1.58 0.02 0.00 -2.23 0.00 0.00 60.65 56.87 1fba s ILE 73 Cb 0.00 -2.87 -0.24 0.00 -1.58 0.00 0.00 42.46 37.77 1fba s ILE 73 CO 0.00 -0.27 1.16 0.77 -1.23 0.00 0.00 174.94 175.36 1fba h SER 74 N 8.00 0.19 -5.02 3.58 4.64 -1.39 -3.40 113.55 120.15 1fba h SER 74 Ca -0.18 -0.21 -0.03 0.00 -0.47 0.00 0.00 61.79 60.89 1fba h SER 74 Cb 1.06 -0.06 -0.12 0.00 -0.31 0.00 0.00 62.40 62.96 1fba h SER 74 CO 0.57 1.17 0.14 -0.83 -0.87 0.00 0.00 176.83 177.01 1fba s GLY 75 N -4.74 -0.53 -0.07 -0.77 0.00 -1.24 -1.48 107.32 98.51 1fba s GLY 75 Ca -0.02 0.37 0.02 0.00 0.00 0.00 0.00 44.72 45.09 1fba s GLY 75 CO 0.85 0.06 -0.11 0.14 0.00 0.00 0.00 173.10 174.04 1fba s VAL 76 N -3.69 1.05 -0.14 1.40 1.01 -0.80 -1.05 120.40 118.18 1fba s VAL 76 Ca 0.01 -0.42 -0.20 0.00 0.00 0.00 0.00 61.98 61.37 1fba s VAL 76 Cb -0.00 -0.97 -0.04 0.00 0.00 0.00 0.00 36.38 35.37 1fba s VAL 76 CO -0.12 0.34 0.56 -0.63 0.00 0.00 0.00 175.10 175.25 1fba s ILE 77 N 0.76 5.11 0.12 2.22 1.01 0.25 -1.56 121.20 129.11 1fba s ILE 77 Ca -0.13 1.10 0.05 0.00 0.00 0.00 0.00 60.65 61.67 1fba s ILE 77 Cb -0.15 -3.89 -0.04 0.00 0.01 0.00 0.00 42.46 38.38 1fba s ILE 77 CO 0.03 0.24 0.08 -0.76 0.00 0.00 0.00 174.94 174.52 1fba s LEU 78 N 1.13 3.69 0.07 2.97 1.43 0.34 -0.96 118.68 127.35 1fba s LEU 78 Ca 0.29 -0.12 -0.16 0.00 -1.03 0.00 0.00 54.13 53.11 1fba s LEU 78 Cb -0.16 -2.35 -0.06 0.00 0.03 0.00 0.00 46.19 43.65 1fba s LEU 78 CO 0.12 0.13 0.50 0.12 0.23 0.00 0.00 176.35 177.44 1fba s PHE 79 N -1.54 3.71 0.26 0.29 5.36 -1.26 -2.09 117.98 122.70 1fba s PHE 79 Ca 0.29 1.08 -0.07 0.00 -0.96 0.00 0.00 56.93 57.27 1fba s PHE 79 Cb -0.11 -2.36 0.42 0.00 -0.34 0.00 0.00 43.02 40.63 1fba s PHE 79 CO 0.21 0.56 1.43 1.58 -1.46 0.00 0.00 175.22 177.54 1fba n HIS 80 N 1.41 0.33 0.01 10.12 -0.00 -1.26 -1.19 115.22 124.64 1fba n HIS 80 Ca -0.10 1.12 -0.10 0.00 -0.00 0.00 0.00 57.72 58.64 1fba n HIS 80 Cb 0.52 -1.03 -0.04 0.00 -0.00 0.00 0.00 29.99 29.44 1fba n HIS 80 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.34 177.83 1fba h GLU 81 N 0.00 -0.33 -0.78 1.57 4.81 -1.97 -2.80 114.58 115.07 1fba h GLU 81 Ca 0.44 0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.76 1fba h GLU 81 Cb 0.67 0.07 -0.05 0.00 0.63 0.00 0.00 28.75 30.08 1fba h GLU 81 CO -0.94 -0.22 0.51 1.15 -0.73 0.00 0.00 179.01 178.78 1fba h THR 82 N -0.34 1.01 -0.08 0.32 2.02 -1.55 -2.55 112.91 111.74 1fba h THR 82 Ca 0.10 -0.28 0.02 0.00 0.77 0.00 0.00 66.41 67.02 1fba h THR 82 Cb 0.48 0.13 -0.00 0.00 -1.74 0.00 0.00 68.15 67.02 1fba h THR 82 CO -0.31 0.15 0.14 0.25 0.37 0.00 0.00 175.52 176.12 1fba h LEU 83 N 0.81 0.00 -2.54 2.58 5.85 -1.39 -1.79 115.31 118.83 1fba h LEU 83 Ca 0.34 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.06 1fba h LEU 83 Cb 0.29 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.32 1fba h LEU 83 CO -0.12 0.00 0.00 -1.22 -0.34 0.00 0.00 178.44 176.76 1fba n TYR 84 N -3.47 0.31 -2.25 1.25 4.01 -0.96 -4.57 117.16 111.48 1fba n TYR 84 Ca -0.01 -0.38 -0.26 0.00 -0.16 0.00 0.00 57.90 57.09 1fba n TYR 84 Cb 0.23 -0.02 0.06 0.00 -0.31 0.00 0.00 39.34 39.30 1fba n TYR 84 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 1fba s GLN 85 N -0.96 2.40 0.09 -0.72 -0.21 -0.67 -4.98 119.66 114.61 1fba s GLN 85 Ca 0.18 -0.19 0.03 0.00 0.02 0.00 0.00 55.36 55.40 1fba s GLN 85 Cb 0.10 -2.20 -0.04 0.00 1.00 0.00 0.00 33.01 31.87 1fba s GLN 85 CO 0.13 -1.09 -0.08 0.15 -2.12 0.00 0.00 175.29 172.28 1fba s LYS 86 N -5.17 0.81 1.01 2.91 1.02 -1.26 -1.76 119.74 117.28 1fba s LYS 86 Ca 0.58 -1.18 -0.15 0.00 0.02 0.00 0.00 55.97 55.25 1fba s LYS 86 Cb -0.11 -0.38 0.19 0.00 -0.52 0.00 0.00 37.83 37.01 1fba s LYS 86 CO 0.45 0.04 1.15 0.00 -0.92 0.00 0.00 175.35 176.07 1fba s ALA 87 N -2.75 1.40 0.26 5.17 0.00 -0.37 -4.85 121.76 120.62 1fba s ALA 87 Ca 0.06 -0.71 -0.02 0.00 0.00 0.00 0.00 51.96 51.29 1fba s ALA 87 Cb -0.01 -2.97 0.43 0.00 0.00 0.00 0.00 23.12 20.57 1fba s ALA 87 CO -0.02 -2.73 1.85 -0.44 0.00 0.00 0.00 175.76 174.42 1fba h ASP 88 N -1.86 0.92 0.44 0.00 3.32 -1.98 0.29 116.42 117.55 1fba h ASP 88 Ca -0.49 0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.59 1fba h ASP 88 Cb 1.31 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.70 1fba h ASP 88 CO 0.51 0.55 0.00 -0.90 -1.72 0.00 0.00 179.24 177.68 1fba n ASP 89 N -4.59 0.00 -0.41 6.45 5.68 -1.26 -4.89 116.55 117.53 1fba n ASP 89 Ca 0.16 -0.27 0.00 0.00 -0.50 0.00 0.00 54.79 54.17 1fba n ASP 89 Cb 0.24 -0.23 0.00 0.00 -1.14 0.00 0.00 41.12 39.99 1fba n ASP 89 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1fba n GLY 90 N 1.10 0.91 3.44 6.12 0.00 0.10 -5.06 105.19 111.81 1fba n GLY 90 Ca 0.15 -0.66 -0.39 0.00 0.00 0.00 0.00 46.02 45.13 1fba n GLY 90 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1fba s THR 91 N -2.82 4.64 0.14 2.61 2.01 -1.25 -4.78 115.64 116.19 1fba s THR 91 Ca 0.00 -0.41 -0.34 0.00 0.31 0.00 0.00 61.69 61.24 1fba s THR 91 Cb 0.00 -3.37 -0.15 0.00 0.01 0.00 0.00 72.50 68.99 1fba s THR 91 CO 0.00 0.06 1.35 -2.65 -0.69 0.00 0.00 174.62 172.69 1fba n PRO 92 N 4.99 1.47 -0.33 4.92 -0.02 -1.26 -1.24 135.00 143.53 1fba n PRO 92 Ca -0.14 0.53 0.13 0.00 -2.02 0.00 0.00 63.50 62.00 1fba n PRO 92 Cb 0.49 -2.16 0.31 0.00 -0.02 0.00 0.00 33.50 32.12 1fba n PRO 92 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 1fba h PHE 93 N 4.50 0.91 -0.75 6.00 0.04 -1.65 0.10 116.94 126.08 1fba h PHE 93 Ca -0.46 0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.35 1fba h PHE 93 Cb 1.31 -0.26 -0.04 0.00 2.20 0.00 0.00 35.95 39.17 1fba h PHE 93 CO 0.58 0.13 0.48 0.00 -0.60 0.00 0.00 178.31 178.90 1fba h ALA 94 N 1.66 1.42 -0.23 2.45 0.00 -1.81 -1.57 119.26 121.17 1fba h ALA 94 Ca 0.56 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 55.29 1fba h ALA 94 Cb 0.95 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 1fba h ALA 94 CO -0.43 0.52 -0.32 1.49 0.00 0.00 0.00 179.25 180.51 1fba h GLU 95 N 1.03 0.63 0.35 0.00 4.81 -1.19 -2.44 114.58 117.77 1fba h GLU 95 Ca 0.27 -0.36 -0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1fba h GLU 95 Cb -0.08 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.30 1fba h GLU 95 CO -0.06 0.97 -0.43 0.82 -0.73 0.00 0.00 179.01 179.59 1fba h ILE 96 N 0.33 0.14 -0.47 2.32 2.04 -0.75 -2.05 117.51 119.07 1fba h ILE 96 Ca 0.03 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.92 1fba h ILE 96 Cb 0.90 0.14 -0.04 0.00 -0.74 0.00 0.00 36.82 37.08 1fba h ILE 96 CO 0.07 0.00 0.24 -0.07 0.00 0.00 0.00 178.15 178.40 1fba h LEU 97 N -0.82 0.36 -1.09 1.44 3.38 -1.36 -2.92 115.31 114.30 1fba h LEU 97 Ca -0.03 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1fba h LEU 97 Cb 0.75 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 1fba h LEU 97 CO -0.11 0.26 0.01 0.11 0.09 0.00 0.00 178.44 178.79 1fba h LYS 98 N 0.49 0.65 -0.17 1.13 1.57 -1.32 -1.52 116.57 117.39 1fba h LYS 98 Ca 0.20 -0.15 -0.06 0.00 -1.87 0.00 0.00 60.65 58.77 1fba h LYS 98 Cb 0.09 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1fba h LYS 98 CO -0.13 0.66 -0.15 0.87 -0.57 0.00 0.00 179.45 180.13 1fba h LYS 99 N 0.62 0.28 -0.00 3.15 1.57 -1.18 -0.50 116.57 120.51 1fba h LYS 99 Ca 0.13 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1fba h LYS 99 Cb 0.38 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1fba h LYS 99 CO 0.01 0.44 0.00 1.63 -0.57 0.00 0.00 179.45 180.96 1fba n LYS 100 N -4.24 1.00 -1.03 3.15 5.02 -0.87 -4.89 118.16 116.31 1fba n LYS 100 Ca -0.01 -0.01 -0.01 0.00 -2.02 0.00 0.00 58.31 56.27 1fba n LYS 100 Cb 0.30 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 33.80 1fba n LYS 100 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1fba n GLY 101 N 1.00 0.49 3.76 0.72 0.00 -0.19 -4.79 105.19 106.17 1fba n GLY 101 Ca 0.24 -0.61 -0.39 0.00 0.00 0.00 0.00 46.02 45.25 1fba n GLY 101 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1fba s ILE 102 N -2.01 4.77 0.11 -0.61 1.01 -0.63 -4.96 121.20 118.88 1fba s ILE 102 Ca 0.00 1.46 -0.23 0.00 0.00 0.00 0.00 60.65 61.89 1fba s ILE 102 Cb 0.00 -4.03 -0.07 0.00 0.01 0.00 0.00 42.46 38.36 1fba s ILE 102 CO 0.00 0.41 0.68 -0.63 0.00 0.00 0.00 174.94 175.40 1fba s ILE 103 N -0.25 4.56 -0.18 2.92 1.01 -0.55 -3.93 121.20 124.79 1fba s ILE 103 Ca 0.35 1.48 -0.12 0.00 0.00 0.00 0.00 60.65 62.36 1fba s ILE 103 Cb -0.20 -4.03 -0.05 0.00 0.01 0.00 0.00 42.46 38.20 1fba s ILE 103 CO 0.21 0.52 0.22 -0.76 0.00 0.00 0.00 174.94 175.13 1fba s LEU 104 N -1.03 4.23 0.20 2.97 1.43 -1.26 -1.91 118.68 123.31 1fba s LEU 104 Ca 0.33 0.39 0.11 0.00 -1.03 0.00 0.00 54.13 53.92 1fba s LEU 104 Cb -0.21 -2.25 -0.04 0.00 0.03 0.00 0.00 46.19 43.71 1fba s LEU 104 CO 0.23 0.13 -0.19 -0.83 0.23 0.00 0.00 176.35 175.92 1fba s GLY 105 N 0.43 1.73 -0.02 -3.19 0.00 -0.60 -0.15 107.32 105.52 1fba s GLY 105 Ca 0.13 -1.62 0.01 0.00 0.00 0.00 0.00 44.72 43.23 1fba s GLY 105 CO 0.01 -1.66 -0.01 -1.50 0.00 0.00 0.00 173.10 169.95 1fba s ILE 106 N -1.79 0.22 -0.15 0.90 1.10 -0.85 -0.50 121.20 120.13 1fba s ILE 106 Ca 0.23 0.01 -0.29 0.00 -0.51 0.00 0.00 60.65 60.09 1fba s ILE 106 Cb -0.08 -0.28 -0.01 0.00 0.15 0.00 0.00 42.46 42.24 1fba s ILE 106 CO 0.12 0.13 1.08 -0.75 -2.11 0.00 0.00 174.94 173.41 1fba s LYS 107 N 0.75 4.33 0.00 3.50 2.20 -0.89 -1.26 119.74 128.37 1fba s LYS 107 Ca -0.08 1.45 0.06 0.00 -0.36 0.00 0.00 55.97 57.04 1fba s LYS 107 Cb -0.11 -3.61 -0.04 0.00 -1.51 0.00 0.00 37.83 32.56 1fba s LYS 107 CO -0.01 -0.50 0.33 1.33 -0.36 0.00 0.00 175.35 176.14 1fba n VAL 108 N 4.95 0.00 -1.48 4.02 0.24 -0.34 -4.70 118.33 121.02 1fba n VAL 108 Ca 0.11 -0.39 -0.30 0.00 -2.04 0.00 0.00 64.34 61.72 1fba n VAL 108 Cb 0.47 1.03 0.09 0.00 -1.47 0.00 0.00 33.84 33.96 1fba n VAL 108 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 1fba s ASP 109 N -1.36 4.47 -0.23 -1.34 1.47 -1.24 -4.85 116.67 113.58 1fba s ASP 109 Ca 0.03 1.42 0.10 0.00 1.18 0.00 0.00 52.55 55.28 1fba s ASP 109 Cb 0.05 -2.16 0.44 0.00 -0.34 0.00 0.00 42.92 40.90 1fba s ASP 109 CO 0.21 -2.00 1.27 0.29 0.68 0.00 0.00 175.17 175.62 1fba n LYS 110 N -3.46 1.81 0.00 2.11 5.02 0.74 -4.97 118.16 119.41 1fba n LYS 110 Ca 0.07 -3.36 0.00 0.00 -2.02 0.00 0.00 58.31 53.00 1fba n LYS 110 Cb 0.55 -1.71 0.00 0.00 -0.02 0.00 0.00 35.03 33.85 1fba n LYS 110 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1fba n GLY 111 N -1.09 -2.84 3.90 0.72 0.00 -1.25 -4.72 105.19 99.92 1fba n GLY 111 Ca 0.24 -1.69 -0.30 0.00 0.00 0.00 0.00 46.02 44.26 1fba n GLY 111 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1fba s VAL 112 N -0.99 5.08 0.01 1.61 -7.23 -1.26 -1.33 120.40 116.29 1fba s VAL 112 Ca 0.00 0.07 0.01 0.00 -1.81 0.00 0.00 61.98 60.25 1fba s VAL 112 Cb 0.00 -3.67 -0.01 0.00 0.56 0.00 0.00 36.38 33.26 1fba s VAL 112 CO 0.00 -0.13 -0.05 0.68 -0.31 0.00 0.00 175.10 175.30 1fba s VAL 113 N -1.85 0.34 0.38 1.32 -7.23 0.34 -4.84 120.40 108.85 1fba s VAL 113 Ca 0.43 -0.49 -0.27 0.00 -1.81 0.00 0.00 61.98 59.85 1fba s VAL 113 Cb -0.11 -0.35 -0.09 0.00 0.56 0.00 0.00 36.38 36.39 1fba s VAL 113 CO 0.26 -0.11 1.25 -2.16 -0.31 0.00 0.00 175.10 174.04 1fba s PRO 114 N -0.64 4.13 -0.40 4.82 0.04 -1.26 -0.77 135.00 140.92 1fba s PRO 114 Ca -0.04 2.06 -0.22 0.00 0.04 0.00 0.00 61.00 62.84 1fba s PRO 114 Cb -0.05 -2.84 0.02 0.00 0.04 0.00 0.00 34.50 31.67 1fba s PRO 114 CO -0.00 -0.32 0.74 -0.51 0.04 0.00 0.00 177.00 176.95 1fba s LEU 115 N -2.22 4.23 0.14 -3.56 1.43 -0.46 -4.81 118.68 113.43 1fba s LEU 115 Ca 0.54 0.07 -0.31 0.00 -1.03 0.00 0.00 54.13 53.40 1fba s LEU 115 Cb -0.36 -2.93 -0.10 0.00 0.03 0.00 0.00 46.19 42.83 1fba s LEU 115 CO 0.46 -0.78 1.72 0.12 0.23 0.00 0.00 176.35 178.10 1fba s PHE 116 N 3.07 2.56 0.00 0.29 5.36 -1.26 -1.52 117.98 126.48 1fba s PHE 116 Ca 0.29 0.26 0.00 0.00 -0.96 0.00 0.00 56.93 56.52 1fba s PHE 116 Cb -0.13 -4.07 0.00 0.00 -0.34 0.00 0.00 43.02 38.47 1fba s PHE 116 CO 0.19 -4.24 0.00 0.41 -1.46 0.00 0.00 175.22 170.11 1fba n GLY 117 N 4.03 2.23 3.83 13.12 0.00 -1.26 -5.04 105.19 122.10 1fba n GLY 117 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 1fba n GLY 117 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1fba s SER 118 N -1.74 5.11 -1.44 1.61 1.04 -0.58 -4.93 113.70 112.77 1fba s SER 118 Ca 0.00 1.42 -0.12 0.00 0.48 0.00 0.00 55.95 57.73 1fba s SER 118 Cb 0.00 -2.24 0.05 0.00 0.10 0.00 0.00 66.02 63.93 1fba s SER 118 CO 0.00 -1.59 2.28 -0.62 0.98 0.00 0.00 173.24 174.29 1fba n GLU 119 N -3.20 3.29 -3.21 4.02 1.02 -1.26 -4.52 120.64 116.78 1fba n GLU 119 Ca 0.07 -2.81 -0.17 0.00 -0.02 0.00 0.00 57.16 54.23 1fba n GLU 119 Cb 0.55 -3.08 0.05 0.00 -0.02 0.00 0.00 31.44 28.95 1fba n GLU 119 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1fba n ASP 120 N 4.85 -5.19 -4.90 1.62 8.00 -1.26 -5.00 116.55 114.66 1fba n ASP 120 Ca 0.54 -0.36 -0.20 0.00 0.71 0.00 0.00 54.79 55.48 1fba n ASP 120 Cb 0.35 -3.83 -0.02 0.00 -0.02 0.00 0.00 41.12 37.59 1fba n ASP 120 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1fba s GLU 121 N -5.86 2.88 0.21 -1.24 2.02 -1.26 -4.99 118.70 110.46 1fba s GLU 121 Ca 0.39 -1.19 0.01 0.00 0.02 0.00 0.00 54.97 54.20 1fba s GLU 121 Cb -0.17 -2.61 -0.05 0.00 0.10 0.00 0.00 34.13 31.40 1fba s GLU 121 CO 0.49 0.09 0.08 0.14 0.02 0.00 0.00 175.26 176.07 1fba s VAL 122 N -2.25 0.39 0.38 2.63 -7.23 -1.26 -1.35 120.40 111.70 1fba s VAL 122 Ca 0.42 -1.98 0.04 0.00 -1.81 0.00 0.00 61.98 58.65 1fba s VAL 122 Cb -0.07 -2.41 -0.03 0.00 0.56 0.00 0.00 36.38 34.42 1fba s VAL 122 CO 0.28 -0.17 0.13 0.28 -0.31 0.00 0.00 175.10 175.32 1fba s THR 123 N -3.87 0.60 -0.07 5.32 -1.32 0.05 -4.85 115.64 111.50 1fba s THR 123 Ca 0.33 -2.00 0.02 0.00 -1.21 0.00 0.00 61.69 58.83 1fba s THR 123 Cb 0.07 -2.44 -0.03 0.00 -1.51 0.00 0.00 72.50 68.60 1fba s THR 123 CO 0.10 0.00 -0.12 -0.89 -2.21 0.00 0.00 174.62 171.50 1fba s THR 124 N -3.30 3.25 0.32 5.08 2.01 -1.26 -0.50 115.64 121.23 1fba s THR 124 Ca 0.28 -0.64 0.08 0.00 0.31 0.00 0.00 61.69 61.72 1fba s THR 124 Cb 0.04 -2.31 -0.04 0.00 0.01 0.00 0.00 72.50 70.21 1fba s THR 124 CO 0.16 0.58 0.20 0.00 -0.69 0.00 0.00 174.62 174.86 1fba s GLN 125 N -0.56 2.59 0.00 4.92 -2.07 -0.44 -4.91 119.66 119.19 1fba s GLN 125 Ca 0.08 -1.36 0.00 0.00 -1.82 0.00 0.00 55.36 52.26 1fba s GLN 125 Cb -0.12 -2.35 0.00 0.00 -1.09 0.00 0.00 33.01 29.45 1fba s GLN 125 CO 0.02 0.17 0.00 0.41 -1.32 0.00 0.00 175.29 174.57 1fba n GLY 126 N -1.22 -0.10 0.20 2.60 0.00 -1.26 -0.19 105.19 105.22 1fba n GLY 126 Ca -0.04 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.05 1fba n GLY 126 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1fba h LEU 127 N 0.00 0.00 -9.49 0.99 3.38 -1.90 -3.42 115.31 104.87 1fba h LEU 127 Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 1fba h LEU 127 Cb 0.00 0.00 0.04 0.00 0.09 0.00 0.00 40.66 40.79 1fba h LEU 127 CO 0.00 0.34 1.13 -1.81 0.09 0.00 0.00 178.44 178.19 1fba s ASP 128 N -6.42 6.43 -1.31 -0.43 1.01 -1.26 -1.77 116.67 112.93 1fba s ASP 128 Ca -0.00 2.74 -0.00 0.00 0.71 0.00 0.00 52.55 55.99 1fba s ASP 128 Cb 0.11 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.48 1fba s ASP 128 CO 0.68 -1.01 0.04 0.47 0.21 0.00 0.00 175.17 175.55 1fba n ASP 129 N 5.96 -4.60 -0.13 0.27 8.00 -1.26 -4.90 116.55 119.90 1fba n ASP 129 Ca 0.18 0.09 -0.03 0.00 0.71 0.00 0.00 54.79 55.75 1fba n ASP 129 Cb 0.39 -3.86 0.20 0.00 -0.02 0.00 0.00 41.12 37.82 1fba n ASP 129 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1fba h LEU 130 N -0.08 0.76 0.01 0.64 5.85 -1.60 -1.51 115.31 119.39 1fba h LEU 130 Ca -0.37 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.22 1fba h LEU 130 Cb 1.27 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.10 1fba h LEU 130 CO 0.43 0.75 -0.00 0.00 -0.34 0.00 0.00 178.44 179.28 1fba h ALA 131 N 1.35 -0.01 -0.32 1.25 0.00 -1.89 0.26 119.26 119.91 1fba h ALA 131 Ca 0.18 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1fba h ALA 131 Cb 0.29 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1fba h ALA 131 CO -0.00 -0.49 0.00 0.00 0.00 0.00 0.00 179.25 178.76 1fba h ALA 132 N 0.95 1.42 -0.18 0.00 0.00 -1.92 -0.09 119.26 119.44 1fba h ALA 132 Ca -0.00 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 1fba h ALA 132 Cb 0.04 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1fba h ALA 132 CO 0.00 0.41 -0.06 0.00 0.00 0.00 0.00 179.25 179.60 1fba h ARG 133 N 0.47 0.35 -0.57 0.00 3.08 -0.75 -2.99 114.38 113.96 1fba h ARG 133 Ca 0.10 -0.15 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 1fba h ARG 133 Cb 0.30 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.31 1fba h ARG 133 CO 0.01 0.64 0.26 0.00 -1.07 0.00 0.00 179.97 179.81 1fba h ALA 135 N 1.10 0.62 -0.13 0.00 0.00 -1.03 -0.43 119.26 119.39 1fba h ALA 135 Ca 0.19 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.22 1fba h ALA 135 Cb 0.15 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1fba h ALA 135 CO -0.02 -0.35 -0.03 0.37 0.00 0.00 0.00 179.25 179.22 1fba h GLN 136 N 0.19 0.26 -0.90 0.00 5.75 -1.34 -2.39 115.11 116.67 1fba h GLN 136 Ca 0.30 -0.10 0.05 0.00 -0.15 0.00 0.00 58.65 58.76 1fba h GLN 136 Cb 0.46 -0.02 -0.06 0.00 1.07 0.00 0.00 27.48 28.93 1fba h GLN 136 CO -0.43 0.54 0.57 1.88 -2.65 0.00 0.00 178.83 178.74 1fba h TYR 137 N -0.05 1.07 0.15 3.99 0.05 -0.71 -0.49 116.97 120.97 1fba h TYR 137 Ca 0.03 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.84 1fba h TYR 137 Cb 0.44 -0.35 0.00 0.00 1.01 0.00 0.00 36.73 37.84 1fba h TYR 137 CO 0.05 0.57 -0.07 -0.22 -1.05 0.00 0.00 178.16 177.43 1fba h LYS 138 N 1.07 -0.19 -0.83 4.88 1.63 -1.05 -0.44 116.57 121.63 1fba h LYS 138 Ca 0.38 0.01 0.13 0.00 -0.85 0.00 0.00 60.65 60.33 1fba h LYS 138 Cb 0.12 0.04 -0.06 0.00 -0.60 0.00 0.00 32.23 31.73 1fba h LYS 138 CO -0.16 -0.03 0.54 0.87 -3.45 0.00 0.00 179.45 177.23 1fba h LYS 139 N -0.32 0.63 -0.11 1.90 1.57 -1.01 -0.84 116.57 118.39 1fba h LYS 139 Ca -0.02 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1fba h LYS 139 Cb 0.26 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.42 1fba h LYS 139 CO 0.03 0.42 0.00 -0.25 -0.57 0.00 0.00 179.45 179.08 1fba n ASP 140 N -4.53 0.85 0.00 0.86 8.00 -0.23 -4.89 116.55 116.61 1fba n ASP 140 Ca 0.15 -1.71 0.00 0.00 0.71 0.00 0.00 54.79 53.94 1fba n ASP 140 Cb 0.43 -0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.46 1fba n ASP 140 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1fba n GLY 141 N 0.89 1.07 3.84 0.44 0.00 -0.32 -5.03 105.19 106.07 1fba n GLY 141 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 1fba n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fba n ASP 143 N 1.65 2.25 -4.22 0.00 8.00 0.79 -4.08 116.55 120.93 1fba n ASP 143 Ca -0.12 -0.23 -0.13 0.00 0.71 0.00 0.00 54.79 55.02 1fba n ASP 143 Cb 0.52 0.91 -0.10 0.00 -0.02 0.00 0.00 41.12 42.43 1fba n ASP 143 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1fba s PHE 144 N -1.36 1.14 0.10 1.24 -0.71 -1.16 -1.53 117.98 115.70 1fba s PHE 144 Ca 0.00 -1.02 0.03 0.00 -1.04 0.00 0.00 56.93 54.90 1fba s PHE 144 Cb 0.00 -0.65 -0.04 0.00 -1.21 0.00 0.00 43.02 41.12 1fba s PHE 144 CO 0.00 -0.22 -0.09 0.00 -1.34 0.00 0.00 175.22 173.57 1fba s ALA 145 N -3.68 1.07 -0.03 1.99 0.00 0.25 -2.00 121.76 119.36 1fba s ALA 145 Ca 0.22 -1.23 0.06 0.00 0.00 0.00 0.00 51.96 51.00 1fba s ALA 145 Cb 0.06 0.07 -0.01 0.00 0.00 0.00 0.00 23.12 23.24 1fba s ALA 145 CO 0.02 -0.10 -0.20 0.21 0.00 0.00 0.00 175.76 175.70 1fba s LYS 146 N -3.09 1.79 -0.17 0.00 2.36 -0.39 -1.37 119.74 118.88 1fba s LYS 146 Ca 0.07 -0.71 -0.05 0.00 -2.55 0.00 0.00 55.97 52.73 1fba s LYS 146 Cb -0.01 -1.64 0.08 0.00 -1.05 0.00 0.00 37.83 35.22 1fba s LYS 146 CO -0.01 0.37 0.33 -0.46 1.55 0.00 0.00 175.35 177.13 1fba s TRP 147 N -0.27 -0.60 -0.24 4.03 -0.11 -1.25 -1.20 118.94 119.30 1fba s TRP 147 Ca 0.03 1.15 -0.08 0.00 1.22 0.00 0.00 56.10 58.41 1fba s TRP 147 Cb -0.10 0.09 -0.04 0.00 -1.50 0.00 0.00 33.47 31.93 1fba s TRP 147 CO 0.01 -0.45 0.10 0.50 -4.62 0.00 0.00 176.95 172.49 1fba s ARG 148 N 2.50 3.80 0.05 5.86 3.52 -1.26 -3.33 118.95 130.10 1fba s ARG 148 Ca 0.01 -0.41 0.02 0.00 -0.13 0.00 0.00 55.73 55.23 1fba s ARG 148 Cb -0.12 -3.38 -0.04 0.00 -1.56 0.00 0.00 34.95 29.85 1fba s ARG 148 CO -0.11 -0.08 0.07 0.00 -0.81 0.00 0.00 175.30 174.37 1fba s VAL 150 N -1.31 1.49 -0.05 0.00 1.01 -1.26 -0.78 120.40 119.49 1fba s VAL 150 Ca 0.27 -0.63 0.05 0.00 0.00 0.00 0.00 61.98 61.67 1fba s VAL 150 Cb -0.12 -1.37 -0.02 0.00 0.00 0.00 0.00 36.38 34.88 1fba s VAL 150 CO 0.19 0.44 -0.20 -0.76 0.00 0.00 0.00 175.10 174.77 1fba s LEU 151 N 1.04 2.36 -0.12 3.92 1.43 0.34 -4.65 118.68 123.00 1fba s LEU 151 Ca -0.06 -0.38 0.00 0.00 -1.03 0.00 0.00 54.13 52.67 1fba s LEU 151 Cb -0.15 -1.45 -0.02 0.00 0.03 0.00 0.00 46.19 44.61 1fba s LEU 151 CO -0.02 0.29 -0.13 -0.54 0.23 0.00 0.00 176.35 176.17 1fba s LYS 152 N -0.39 3.28 -0.16 1.70 1.02 -1.26 -1.08 119.74 122.86 1fba s LYS 152 Ca 0.04 -0.69 -0.23 0.00 0.02 0.00 0.00 55.97 55.11 1fba s LYS 152 Cb -0.12 -2.60 -0.02 0.00 -0.52 0.00 0.00 37.83 34.56 1fba s LYS 152 CO 0.02 0.26 0.71 0.42 -0.92 0.00 0.00 175.35 175.84 1fba s ILE 153 N 0.22 4.98 0.00 2.17 1.01 -1.26 -2.13 121.20 126.20 1fba s ILE 153 Ca -0.08 1.38 0.00 0.00 0.00 0.00 0.00 60.65 61.95 1fba s ILE 153 Cb -0.15 -4.03 0.00 0.00 0.01 0.00 0.00 42.46 38.29 1fba s ILE 153 CO 0.05 0.11 0.00 0.61 0.00 0.00 0.00 174.94 175.71 1fba n GLY 154 N 3.54 2.75 0.30 6.18 0.00 0.13 -4.82 105.19 113.27 1fba n GLY 154 Ca 0.01 -1.13 -0.07 0.00 0.00 0.00 0.00 46.02 44.82 1fba n GLY 154 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1fba h LYS 155 N 0.00 -0.22 0.00 1.61 3.64 -2.00 -3.20 116.57 116.40 1fba h LYS 155 Ca 0.00 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1fba h LYS 155 Cb 0.00 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 1fba h LYS 155 CO 0.00 -0.15 -0.00 0.09 -2.27 0.00 0.00 179.45 177.12 1fba n ASN 156 N -5.40 2.03 -4.34 4.20 3.02 -1.26 -5.05 115.26 108.46 1fba n ASN 156 Ca 0.01 -2.27 -0.27 0.00 -0.03 0.00 0.00 54.58 52.02 1fba n ASN 156 Cb 0.31 -0.12 -0.13 0.00 -0.61 0.00 0.00 39.78 39.24 1fba n ASN 156 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1fba s THR 157 N -1.48 1.99 0.32 3.41 -4.23 -1.21 -3.85 115.64 110.60 1fba s THR 157 Ca 0.09 -1.64 -0.28 0.00 -1.18 0.00 0.00 61.69 58.68 1fba s THR 157 Cb 0.08 -1.78 -0.10 0.00 1.34 0.00 0.00 72.50 72.04 1fba s THR 157 CO 0.01 0.03 1.19 -2.16 -0.54 0.00 0.00 174.62 173.15 1fba s PRO 158 N -1.95 4.42 0.70 3.99 0.05 -0.90 -0.69 135.00 140.62 1fba s PRO 158 Ca 0.10 1.96 -0.08 0.00 0.05 0.00 0.00 61.00 63.04 1fba s PRO 158 Cb -0.10 -3.04 0.05 0.00 0.05 0.00 0.00 34.50 31.46 1fba s PRO 158 CO 0.05 -0.04 1.03 -1.54 0.05 0.00 0.00 177.00 176.55 1fba s SER 159 N -0.79 4.94 0.28 6.66 1.04 -1.25 -4.90 113.70 119.68 1fba s SER 159 Ca 0.49 0.61 -0.02 0.00 0.48 0.00 0.00 55.95 57.51 1fba s SER 159 Cb -0.34 -1.30 0.44 0.00 0.10 0.00 0.00 66.02 64.92 1fba s SER 159 CO 0.45 -1.54 1.89 0.22 0.98 0.00 0.00 173.24 175.24 1fba h TYR 160 N -0.61 1.16 -0.08 5.02 3.20 -1.99 -1.27 116.97 122.40 1fba h TYR 160 Ca -0.45 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.46 1fba h TYR 160 Cb 1.30 -0.38 -0.01 0.00 1.54 0.00 0.00 36.73 39.18 1fba h TYR 160 CO 0.37 0.61 -0.01 0.37 -1.64 0.00 0.00 178.16 177.86 1fba h GLN 161 N 1.14 0.02 -0.31 1.82 4.15 -1.99 -0.76 115.11 119.17 1fba h GLN 161 Ca 0.42 -0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.83 1fba h GLN 161 Cb 0.17 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.84 1fba h GLN 161 CO -0.16 0.01 0.18 1.03 -1.93 0.00 0.00 178.83 177.96 1fba h SER 162 N 0.02 0.38 -0.07 -0.69 0.87 -1.87 -1.23 113.55 110.96 1fba h SER 162 Ca 0.04 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 1fba h SER 162 Cb 0.05 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 61.90 1fba h SER 162 CO -0.07 0.34 0.03 0.40 -0.53 0.00 0.00 176.83 177.01 1fba h ILE 163 N 0.39 0.99 -0.24 2.23 2.04 -1.13 -0.82 117.51 120.97 1fba h ILE 163 Ca 0.11 -0.02 0.02 0.00 1.00 0.00 0.00 64.86 65.96 1fba h ILE 163 Cb 0.04 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 1fba h ILE 163 CO -0.02 0.01 0.12 0.25 0.00 0.00 0.00 178.15 178.51 1fba h LEU 164 N 0.07 0.17 -0.09 1.44 6.46 -1.04 -1.94 115.31 120.38 1fba h LEU 164 Ca 0.03 0.01 -0.05 0.00 -0.12 0.00 0.00 57.88 57.76 1fba h LEU 164 Cb 0.01 -0.02 -0.00 0.00 -0.73 0.00 0.00 40.66 39.92 1fba h LEU 164 CO -0.02 0.13 -0.12 -0.08 -0.62 0.00 0.00 178.44 177.73 1fba h GLU 165 N 0.25 0.24 -0.77 1.25 4.57 -1.16 -1.44 114.58 117.52 1fba h GLU 165 Ca 0.10 -0.14 -0.05 0.00 -1.18 0.00 0.00 59.36 58.09 1fba h GLU 165 Cb 0.03 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.60 1fba h GLU 165 CO -0.07 0.70 0.27 -0.91 -1.18 0.00 0.00 179.01 177.82 1fba h ASN 166 N -0.20 1.09 -0.49 1.04 2.35 -1.19 -0.28 115.58 117.90 1fba h ASN 166 Ca 0.01 -0.19 -0.06 0.00 -0.55 0.00 0.00 56.30 55.51 1fba h ASN 166 Cb 0.67 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.73 1fba h ASN 166 CO 0.03 0.99 0.07 0.00 -1.65 0.00 0.00 177.43 176.86 1fba h ALA 167 N 1.16 0.66 -0.59 -0.83 0.00 -1.36 -1.76 119.26 116.53 1fba h ALA 167 Ca 0.25 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 1fba h ALA 167 Cb 0.26 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1fba h ALA 167 CO -0.01 0.40 0.03 -0.97 0.00 0.00 0.00 179.25 178.70 1fba h ASN 168 N 0.70 0.98 0.36 0.00 -1.24 -0.86 -2.58 115.58 112.94 1fba h ASN 168 Ca 0.15 -0.26 -0.20 0.00 0.71 0.00 0.00 56.30 56.70 1fba h ASN 168 Cb 0.42 -0.26 -0.00 0.00 0.73 0.00 0.00 38.32 39.20 1fba h ASN 168 CO 0.01 1.02 -0.81 1.62 -1.29 0.00 0.00 177.43 177.98 1fba h VAL 169 N 0.94 1.41 -1.00 2.57 3.04 -0.90 -2.43 116.25 119.87 1fba h VAL 169 Ca 0.17 -2.32 0.02 0.00 -1.01 0.00 0.00 66.70 63.57 1fba h VAL 169 Cb 0.50 2.27 -0.05 0.00 -2.01 0.00 0.00 31.29 32.00 1fba h VAL 169 CO 0.02 0.69 0.66 -0.07 -1.01 0.00 0.00 177.57 177.86 1fba h LEU 170 N 0.22 1.12 -0.68 3.16 3.38 -1.23 -1.89 115.31 119.39 1fba h LEU 170 Ca -0.04 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.77 1fba h LEU 170 Cb 1.41 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 1fba h LEU 170 CO 0.13 0.79 -0.43 0.00 0.09 0.00 0.00 178.44 179.02 1fba h ALA 171 N 1.40 0.85 -0.26 1.53 0.00 -1.28 -0.56 119.26 120.94 1fba h ALA 171 Ca 0.38 -0.45 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1fba h ALA 171 Cb -0.07 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1fba h ALA 171 CO -0.10 0.65 -0.04 0.00 0.00 0.00 0.00 179.25 179.75 1fba h ARG 172 N 0.43 0.50 -0.19 0.00 2.47 -1.19 -2.03 114.38 114.37 1fba h ARG 172 Ca 0.03 -0.18 0.00 0.00 -1.26 0.00 0.00 59.98 58.57 1fba h ARG 172 Cb 0.93 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 29.20 1fba h ARG 172 CO 0.08 0.69 0.12 -0.92 0.56 0.00 0.00 179.97 180.50 1fba h TYR 173 N 0.25 0.24 -0.39 3.04 3.20 -1.22 -1.75 116.97 120.35 1fba h TYR 173 Ca 0.07 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.93 1fba h TYR 173 Cb 0.50 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.67 1fba h TYR 173 CO 0.05 0.16 0.20 0.00 -1.64 0.00 0.00 178.16 176.93 1fba h ALA 174 N 1.05 0.50 -0.33 1.82 0.00 -1.06 -1.43 119.26 119.81 1fba h ALA 174 Ca 0.07 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1fba h ALA 174 Cb -0.01 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1fba h ALA 174 CO -0.01 0.03 0.16 1.03 0.00 0.00 0.00 179.25 180.46 1fba h SER 175 N 0.49 0.23 -0.20 0.00 0.87 -1.25 -1.53 113.55 112.17 1fba h SER 175 Ca 0.14 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.70 1fba h SER 175 Cb 0.08 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.00 1fba h SER 175 CO -0.02 0.17 0.09 0.40 -0.53 0.00 0.00 176.83 176.94 1fba h ILE 176 N 0.33 1.15 -0.54 2.23 2.04 -1.04 -1.90 117.51 119.78 1fba h ILE 176 Ca 0.14 -0.44 0.09 0.00 1.00 0.00 0.00 64.86 65.65 1fba h ILE 176 Cb 0.06 1.08 -0.07 0.00 -0.74 0.00 0.00 36.82 37.14 1fba h ILE 176 CO -0.10 0.14 0.14 0.00 0.00 0.00 0.00 178.15 178.33 1fba h GLN 178 N 0.29 0.96 0.00 0.00 4.20 -1.13 0.19 115.11 119.62 1fba h GLN 178 Ca 0.27 -0.26 -0.00 0.00 0.06 0.00 0.00 58.65 58.72 1fba h GLN 178 Cb 0.36 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.03 1fba h GLN 178 CO -0.33 0.92 -0.01 0.66 -0.67 0.00 0.00 178.83 179.39 1fba h SER 179 N 0.90 0.00 -0.32 1.46 4.64 -0.67 -1.87 113.55 117.69 1fba h SER 179 Ca 0.17 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.40 1fba h SER 179 Cb 0.45 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.49 1fba h SER 179 CO 0.02 0.01 -0.01 0.00 -0.87 0.00 0.00 176.83 175.99 1fba n GLN 180 N -3.28 2.41 -2.13 4.77 1.13 -0.86 -4.96 117.38 114.46 1fba n GLN 180 Ca -0.02 -2.98 -0.18 0.00 -1.94 0.00 0.00 57.00 51.87 1fba n GLN 180 Cb 0.13 -1.84 -0.03 0.00 0.11 0.00 0.00 30.24 28.61 1fba n GLN 180 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1fba n ARG 181 N -0.81 -1.42 -4.60 -1.09 1.74 -0.70 -4.73 116.66 105.05 1fba n ARG 181 Ca 0.28 0.96 -0.33 0.00 -0.77 0.00 0.00 57.85 57.98 1fba n ARG 181 Cb 0.98 -5.42 -0.13 0.00 -1.02 0.00 0.00 32.46 26.86 1fba n ARG 181 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1fba s ILE 182 N -2.86 3.49 -0.21 0.55 -1.09 -0.00 -4.91 121.20 116.17 1fba s ILE 182 Ca 0.00 -0.51 -0.28 0.00 -2.23 0.00 0.00 60.65 57.63 1fba s ILE 182 Cb 0.00 -2.49 0.00 0.00 -1.58 0.00 0.00 42.46 38.39 1fba s ILE 182 CO 0.00 0.52 1.00 -0.69 -1.23 0.00 0.00 174.94 174.53 1fba s VAL 183 N 0.23 4.73 -0.04 2.92 1.01 -0.58 -2.94 120.40 125.73 1fba s VAL 183 Ca -0.06 1.95 -0.25 0.00 0.00 0.00 0.00 61.98 63.63 1fba s VAL 183 Cb -0.15 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 31.92 1fba s VAL 183 CO 0.04 -0.13 0.75 -2.16 0.00 0.00 0.00 175.10 173.60 1fba s PRO 184 N 2.91 4.46 -0.25 2.72 0.04 -1.26 -0.58 135.00 143.04 1fba s PRO 184 Ca 0.43 0.98 -0.18 0.00 0.04 0.00 0.00 61.00 62.28 1fba s PRO 184 Cb -0.16 -3.43 -0.03 0.00 0.04 0.00 0.00 34.50 30.92 1fba s PRO 184 CO 0.08 0.09 0.50 0.42 0.04 0.00 0.00 177.00 178.13 1fba s ILE 185 N 0.68 5.09 -0.40 0.56 1.01 -0.47 -2.67 121.20 125.01 1fba s ILE 185 Ca 0.40 0.85 -0.23 0.00 0.00 0.00 0.00 60.65 61.66 1fba s ILE 185 Cb -0.19 -3.81 0.02 0.00 0.01 0.00 0.00 42.46 38.49 1fba s ILE 185 CO 0.20 0.11 0.78 -0.69 0.00 0.00 0.00 174.94 175.34 1fba s VAL 186 N 2.19 4.71 -0.53 2.92 1.01 0.07 -3.89 120.40 126.87 1fba s VAL 186 Ca 0.21 0.69 0.04 0.00 0.00 0.00 0.00 61.98 62.92 1fba s VAL 186 Cb -0.16 -4.24 0.14 0.00 0.00 0.00 0.00 36.38 32.12 1fba s VAL 186 CO 0.09 -0.54 0.28 -0.70 0.00 0.00 0.00 175.10 174.24 1fba s GLU 187 N 3.15 1.93 -0.85 2.72 2.12 -1.21 0.24 118.70 126.80 1fba s GLU 187 Ca 0.30 -2.62 -0.17 0.00 0.36 0.00 0.00 54.97 52.84 1fba s GLU 187 Cb -0.13 -3.18 0.16 0.00 0.26 0.00 0.00 34.13 31.24 1fba s GLU 187 CO 0.19 -1.14 0.95 -1.25 -0.54 0.00 0.00 175.26 173.47 1fba s PRO 188 N -0.34 3.54 -0.28 4.30 0.04 -1.25 -0.86 135.00 140.15 1fba s PRO 188 Ca 0.18 -1.96 -0.24 0.00 0.04 0.00 0.00 61.00 59.02 1fba s PRO 188 Cb -0.23 -4.66 -0.00 0.00 0.04 0.00 0.00 34.50 29.65 1fba s PRO 188 CO -0.02 -1.57 0.79 -2.00 0.04 0.00 0.00 177.00 174.24 1fba s GLU 189 N 1.78 4.06 -0.38 4.56 2.12 0.04 -4.48 118.70 126.40 1fba s GLU 189 Ca 0.25 0.72 -0.20 0.00 0.36 0.00 0.00 54.97 56.10 1fba s GLU 189 Cb -0.09 -3.69 0.01 0.00 0.26 0.00 0.00 34.13 30.62 1fba s GLU 189 CO -0.07 -0.60 0.63 0.08 -0.54 0.00 0.00 175.26 174.76 1fba s VAL 190 N 2.88 4.88 0.55 3.70 1.01 -1.26 -0.50 120.40 131.66 1fba s VAL 190 Ca 0.33 0.45 -0.21 0.00 0.00 0.00 0.00 61.98 62.55 1fba s VAL 190 Cb -0.15 -4.10 -0.05 0.00 0.00 0.00 0.00 36.38 32.09 1fba s VAL 190 CO 0.10 -0.38 1.24 -0.76 0.00 0.00 0.00 175.10 175.30 1fba s LEU 191 N 2.71 3.80 0.39 3.92 1.43 -0.24 -4.86 118.68 125.83 1fba s LEU 191 Ca 0.23 2.47 0.21 0.00 -1.03 0.00 0.00 54.13 56.02 1fba s LEU 191 Cb -0.14 -4.42 0.49 0.00 0.03 0.00 0.00 46.19 42.14 1fba s LEU 191 CO 0.16 -1.42 1.64 1.55 0.23 0.00 0.00 176.35 178.50 1fba h PRO 192 N 1.33 0.00 -6.22 1.29 0.13 -1.94 -3.41 132.00 123.17 1fba h PRO 192 Ca -0.50 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 63.95 1fba h PRO 192 Cb 1.29 0.00 0.08 0.00 0.13 0.00 0.00 31.00 32.50 1fba h PRO 192 CO 0.57 0.27 0.08 -0.25 -0.23 0.00 0.00 178.00 178.43 1fba n ASP 193 N -3.24 0.62 0.00 1.44 9.92 -1.26 -2.15 116.55 121.88 1fba n ASP 193 Ca 0.02 1.14 0.00 0.00 -0.53 0.00 0.00 54.79 55.42 1fba n ASP 193 Cb 0.56 -1.12 0.00 0.00 -0.64 0.00 0.00 41.12 39.92 1fba n ASP 193 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1fba n GLY 194 N 1.88 0.79 0.45 0.44 0.00 -1.26 -4.66 105.19 102.82 1fba n GLY 194 Ca 0.16 -2.27 0.07 0.00 0.00 0.00 0.00 46.02 43.98 1fba n GLY 194 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1fba n ASP 195 N 0.41 1.72 -4.80 1.61 5.75 -1.26 -1.54 116.55 118.44 1fba n ASP 195 Ca 0.00 -3.16 -0.31 0.00 -0.01 0.00 0.00 54.79 51.31 1fba n ASP 195 Cb 0.00 -0.43 0.05 0.00 -1.03 0.00 0.00 41.12 39.72 1fba n ASP 195 CO 0.00 0.00 0.00 -1.38 -0.11 0.00 0.00 177.20 175.71 1fba s HIS 196 N -2.40 2.94 0.73 2.11 -3.43 -1.26 -4.66 115.29 109.32 1fba s HIS 196 Ca 0.31 1.47 -0.03 0.00 -0.80 0.00 0.00 55.06 56.01 1fba s HIS 196 Cb 0.29 -2.96 0.12 0.00 -1.43 0.00 0.00 32.58 28.61 1fba s HIS 196 CO -0.03 -1.37 1.02 0.16 -2.00 0.00 0.00 174.74 172.52 1fba s ASP 197 N -3.47 4.30 0.32 7.38 1.47 -1.26 -0.41 116.67 125.00 1fba s ASP 197 Ca 0.60 -0.21 0.02 0.00 1.18 0.00 0.00 52.55 54.14 1fba s ASP 197 Cb -0.15 -0.18 0.54 0.00 -0.34 0.00 0.00 42.92 42.78 1fba s ASP 197 CO 0.52 -1.89 1.89 0.25 0.68 0.00 0.00 175.17 176.61 1fba h LEU 198 N -0.62 0.64 -0.15 2.11 5.85 -1.92 -2.20 115.31 119.02 1fba h LEU 198 Ca -0.38 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.25 1fba h LEU 198 Cb 1.27 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 1fba h LEU 198 CO 0.42 0.63 0.09 -0.78 -0.34 0.00 0.00 178.44 178.46 1fba h ASP 199 N 0.69 0.15 -0.17 1.25 3.58 -1.94 0.07 116.42 120.05 1fba h ASP 199 Ca 0.16 -0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.61 1fba h ASP 199 Cb 0.22 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.23 1fba h ASP 199 CO -0.01 0.11 0.10 -0.09 -2.88 0.00 0.00 179.24 176.48 1fba h ARG 200 N 0.19 0.22 -0.85 0.28 9.65 -1.88 -1.83 114.38 120.16 1fba h ARG 200 Ca 0.06 -0.02 0.04 0.00 -1.10 0.00 0.00 59.98 58.96 1fba h ARG 200 Cb -0.01 -0.05 -0.05 0.00 -1.39 0.00 0.00 29.97 28.47 1fba h ARG 200 CO -0.02 0.18 0.56 0.00 2.80 0.00 0.00 179.97 183.48 1fba h ALA 201 N 1.03 1.50 -0.17 2.80 0.00 -1.00 0.22 119.26 123.63 1fba h ALA 201 Ca 0.06 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1fba h ALA 201 Cb 0.01 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1fba h ALA 201 CO -0.01 0.41 -0.05 0.37 0.00 0.00 0.00 179.25 179.97 1fba h GLN 202 N 1.03 0.33 -0.54 0.00 4.15 -0.77 -0.58 115.11 118.74 1fba h GLN 202 Ca 0.34 -0.13 -0.00 0.00 0.77 0.00 0.00 58.65 59.63 1fba h GLN 202 Cb 0.08 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 27.72 1fba h GLN 202 CO -0.11 0.61 0.33 0.87 -1.93 0.00 0.00 178.83 178.61 1fba h LYS 203 N 0.03 0.73 -0.19 1.69 1.57 -0.84 0.13 116.57 119.69 1fba h LYS 203 Ca 0.04 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1fba h LYS 203 Cb 0.50 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 1fba h LYS 203 CO 0.02 0.51 0.08 0.28 -0.57 0.00 0.00 179.45 179.78 1fba h VAL 204 N 0.73 1.14 -0.52 0.50 2.07 -0.90 -1.81 116.25 117.46 1fba h VAL 204 Ca 0.19 -0.42 0.02 0.00 0.82 0.00 0.00 66.70 67.31 1fba h VAL 204 Cb -0.03 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 1fba h VAL 204 CO -0.04 0.14 0.32 0.74 0.02 0.00 0.00 177.57 178.75 1fba h THR 205 N 0.17 1.07 -0.85 2.57 2.02 -0.75 -0.88 112.91 116.25 1fba h THR 205 Ca 0.06 -0.22 -0.03 0.00 0.77 0.00 0.00 66.41 66.99 1fba h THR 205 Cb 0.14 0.38 -0.04 0.00 -1.74 0.00 0.00 68.15 66.89 1fba h THR 205 CO -0.01 0.12 0.41 -0.33 0.37 0.00 0.00 175.52 176.08 1fba h GLU 206 N 0.63 1.23 0.07 6.66 5.08 -0.64 -1.80 114.58 125.82 1fba h GLU 206 Ca 0.21 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1fba h GLU 206 Cb 0.00 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.03 1fba h GLU 206 CO -0.09 0.94 -0.03 1.15 -1.00 0.00 0.00 179.01 179.99 1fba h THR 207 N 1.21 0.98 -0.09 1.13 2.02 -0.85 -2.18 112.91 115.12 1fba h THR 207 Ca 0.29 -0.13 0.03 0.00 0.77 0.00 0.00 66.41 67.37 1fba h THR 207 Cb 0.12 1.06 -0.04 0.00 -1.74 0.00 0.00 68.15 67.56 1fba h THR 207 CO -0.04 0.03 -0.12 0.58 0.37 0.00 0.00 175.52 176.35 1fba h VAL 208 N -0.15 0.68 -0.70 3.16 2.07 -1.07 -2.77 116.25 117.46 1fba h VAL 208 Ca -0.01 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.47 1fba h VAL 208 Cb 0.12 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 1fba h VAL 208 CO 0.01 0.00 0.27 -0.07 0.02 0.00 0.00 177.57 177.81 1fba h LEU 209 N -0.15 0.98 -0.72 2.57 4.07 -1.31 -0.94 115.31 119.80 1fba h LEU 209 Ca 0.08 -0.18 0.05 0.00 0.08 0.00 0.00 57.88 57.91 1fba h LEU 209 Cb 0.26 -0.26 -0.05 0.00 1.08 0.00 0.00 40.66 41.69 1fba h LEU 209 CO -0.19 0.89 0.43 0.00 -1.08 0.00 0.00 178.44 178.50 1fba h ALA 210 N 1.13 0.97 -0.43 1.53 0.00 -1.28 -1.28 119.26 119.89 1fba h ALA 210 Ca 0.23 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 1fba h ALA 210 Cb 0.23 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1fba h ALA 210 CO -0.02 0.16 0.08 0.00 0.00 0.00 0.00 179.25 179.47 1fba h ALA 211 N 1.35 0.57 -0.45 0.00 0.00 -1.19 -1.67 119.26 117.87 1fba h ALA 211 Ca 0.31 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 55.06 1fba h ALA 211 Cb 0.13 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 1fba h ALA 211 CO -0.16 0.29 0.17 0.28 0.00 0.00 0.00 179.25 179.83 1fba h VAL 212 N 0.57 0.87 0.00 0.00 2.07 -0.69 0.28 116.25 119.36 1fba h VAL 212 Ca 0.13 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.53 1fba h VAL 212 Cb 0.37 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1fba h VAL 212 CO 0.01 0.06 0.00 1.88 0.02 0.00 0.00 177.57 179.54 1fba h TYR 213 N 0.35 0.00 -0.10 1.57 0.05 -1.16 -1.12 116.97 116.56 1fba h TYR 213 Ca 0.21 0.00 -0.23 0.00 0.05 0.00 0.00 58.73 58.75 1fba h TYR 213 Cb 0.19 0.00 0.01 0.00 1.01 0.00 0.00 36.73 37.94 1fba h TYR 213 CO -0.15 0.00 -0.86 -0.22 -1.05 0.00 0.00 178.16 175.88 1fba h LYS 214 N 0.00 0.73 -0.50 4.88 1.63 -0.73 -2.81 116.57 119.77 1fba h LYS 214 Ca 0.00 -0.66 -0.11 0.00 -0.85 0.00 0.00 60.65 59.04 1fba h LYS 214 Cb 0.82 0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 32.59 1fba h LYS 214 CO 0.00 1.26 -0.11 0.00 -3.45 0.00 0.00 179.45 177.15 1fba h ALA 215 N 0.54 0.87 -0.77 5.00 0.00 -0.65 -0.68 119.26 123.57 1fba h ALA 215 Ca -0.08 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.47 1fba h ALA 215 Cb 1.50 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 19.06 1fba h ALA 215 CO 0.17 0.64 0.36 -0.07 0.00 0.00 0.00 179.25 180.36 1fba h LEU 216 N 0.82 1.02 -0.33 0.00 3.38 -1.23 -1.90 115.31 117.07 1fba h LEU 216 Ca 0.13 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1fba h LEU 216 Cb 0.64 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1fba h LEU 216 CO 0.04 0.87 0.12 -1.28 0.09 0.00 0.00 178.44 178.29 1fba h SER 217 N 1.09 0.46 -0.68 -0.43 0.87 -1.22 -0.88 113.55 112.76 1fba h SER 217 Ca 0.26 -0.18 0.05 0.00 -1.23 0.00 0.00 61.79 60.70 1fba h SER 217 Cb 0.13 -0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 61.93 1fba h SER 217 CO -0.03 0.51 0.45 0.44 -0.53 0.00 0.00 176.83 177.67 1fba h ASP 218 N 0.38 0.66 -0.46 6.23 3.32 -0.67 -0.74 116.42 125.13 1fba h ASP 218 Ca 0.11 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1fba h ASP 218 Cb 0.20 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.61 1fba h ASP 218 CO -0.01 0.44 0.00 1.41 -1.72 0.00 0.00 179.24 179.36 1fba n HIS 219 N -4.47 0.61 -3.51 4.55 8.25 -0.76 -4.91 115.22 114.99 1fba n HIS 219 Ca 0.09 -0.31 -0.22 0.00 -0.26 0.00 0.00 57.72 57.03 1fba n HIS 219 Cb 0.18 0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.37 1fba n HIS 219 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1fba n HIS 220 N 1.13 -2.64 -2.68 4.41 8.25 -0.28 -4.94 115.22 118.47 1fba n HIS 220 Ca 0.19 0.96 -0.41 0.00 -0.26 0.00 0.00 57.72 58.20 1fba n HIS 220 Cb 0.49 -4.88 -0.05 0.00 1.12 0.00 0.00 29.99 26.68 1fba n HIS 220 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1fba s VAL 221 N -3.31 4.26 -0.71 1.59 1.01 -0.43 -4.96 120.40 117.84 1fba s VAL 221 Ca 0.45 1.96 -0.27 0.00 0.00 0.00 0.00 61.98 64.13 1fba s VAL 221 Cb -0.20 -4.25 0.03 0.00 0.00 0.00 0.00 36.38 31.96 1fba s VAL 221 CO 0.70 0.34 1.26 -0.47 0.00 0.00 0.00 175.10 176.93 1fba s TYR 222 N -0.29 2.33 0.41 5.22 5.04 -1.26 -4.81 117.35 123.99 1fba s TYR 222 Ca 0.46 0.02 0.08 0.00 -2.44 0.00 0.00 57.07 55.19 1fba s TYR 222 Cb -0.25 -4.61 0.85 0.00 0.35 0.00 0.00 41.96 38.30 1fba s TYR 222 CO 0.32 -2.00 2.03 -0.07 -1.34 0.00 0.00 175.55 174.48 1fba h LEU 223 N 12.85 0.41 -2.00 6.97 3.38 -1.94 -0.76 115.31 134.22 1fba h LEU 223 Ca -0.28 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.65 1fba h LEU 223 Cb 1.05 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.69 1fba h LEU 223 CO 1.27 0.35 -0.07 -0.33 0.09 0.00 0.00 178.44 179.74 1fba h GLU 224 N 0.47 0.00 -0.87 1.13 3.07 -1.89 -2.40 114.58 114.09 1fba h GLU 224 Ca 0.12 0.00 -0.26 0.00 -0.50 0.00 0.00 59.36 58.72 1fba h GLU 224 Cb 0.04 0.00 -0.15 0.00 -0.84 0.00 0.00 28.75 27.79 1fba h GLU 224 CO -0.02 0.07 0.33 0.41 -1.40 0.00 0.00 179.01 178.40 1fba n GLY 225 N -0.56 3.50 3.19 -3.84 0.00 -0.29 -4.40 105.19 102.79 1fba n GLY 225 Ca -0.01 -0.82 -0.11 0.00 0.00 0.00 0.00 46.02 45.07 1fba n GLY 225 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1fba s THR 226 N -2.55 0.54 0.18 2.61 -4.23 -0.90 -4.17 115.64 107.12 1fba s THR 226 Ca 0.45 -1.94 0.07 0.00 -1.18 0.00 0.00 61.69 59.09 1fba s THR 226 Cb 0.36 -1.92 -0.04 0.00 1.34 0.00 0.00 72.50 72.24 1fba s THR 226 CO 0.10 -0.64 -0.14 -0.76 -0.54 0.00 0.00 174.62 172.64 1fba s LEU 227 N -3.09 2.51 -0.10 4.79 1.43 -1.09 -3.35 118.68 119.79 1fba s LEU 227 Ca 0.19 -0.96 0.03 0.00 -1.03 0.00 0.00 54.13 52.36 1fba s LEU 227 Cb 0.06 -0.63 -0.01 0.00 0.03 0.00 0.00 46.19 45.64 1fba s LEU 227 CO -0.00 -0.17 -0.18 -0.22 0.23 0.00 0.00 176.35 176.01 1fba s LEU 228 N -3.04 2.43 -0.50 1.79 2.96 -0.66 -0.75 118.68 120.91 1fba s LEU 228 Ca 0.18 -0.40 0.04 0.00 -0.22 0.00 0.00 54.13 53.73 1fba s LEU 228 Cb -0.02 -1.50 0.13 0.00 0.50 0.00 0.00 46.19 45.30 1fba s LEU 228 CO 0.05 0.21 0.26 -0.75 -1.32 0.00 0.00 176.35 174.80 1fba s LYS 229 N 0.08 1.84 0.41 1.98 2.20 0.14 -0.64 119.74 125.74 1fba s LYS 229 Ca -0.08 -2.50 0.08 0.00 -0.36 0.00 0.00 55.97 53.10 1fba s LYS 229 Cb -0.15 -3.12 -0.02 0.00 -1.51 0.00 0.00 37.83 33.03 1fba s LYS 229 CO 0.05 -1.12 0.38 -1.25 -0.36 0.00 0.00 175.35 173.06 1fba s PRO 230 N -0.17 2.57 0.42 4.03 0.04 -1.26 -3.76 135.00 136.87 1fba s PRO 230 Ca 0.17 -1.49 -0.23 0.00 0.04 0.00 0.00 61.00 59.49 1fba s PRO 230 Cb -0.26 -2.42 -0.09 0.00 0.04 0.00 0.00 34.50 31.77 1fba s PRO 230 CO 0.00 -0.17 1.02 0.54 0.04 0.00 0.00 177.00 178.42 1fba s ASN 231 N -4.13 6.75 0.67 6.66 4.22 -1.26 -2.26 114.94 125.58 1fba s ASN 231 Ca 0.48 1.92 -0.14 0.00 -2.14 0.00 0.00 52.86 52.98 1fba s ASN 231 Cb -0.04 -2.57 0.00 0.00 1.28 0.00 0.00 41.25 39.92 1fba s ASN 231 CO 0.28 -0.50 1.10 -0.04 -2.04 0.00 0.00 177.10 175.91 1fba s MET 232 N -2.77 2.79 -0.39 3.55 -1.94 -1.26 -4.96 119.30 114.32 1fba s MET 232 Ca 0.60 1.32 -0.23 0.00 -1.71 0.00 0.00 55.69 55.67 1fba s MET 232 Cb -0.18 -1.95 0.01 0.00 2.01 0.00 0.00 34.83 34.72 1fba s MET 232 CO 0.22 -1.25 0.80 0.08 -0.01 0.00 0.00 175.02 174.86 1fba s VAL 233 N -2.45 4.69 0.05 -6.03 1.01 -1.26 -5.01 120.40 111.40 1fba s VAL 233 Ca 0.65 0.79 -0.00 0.00 0.00 0.00 0.00 61.98 63.43 1fba s VAL 233 Cb -0.19 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 31.90 1fba s VAL 233 CO 0.43 -0.52 -0.04 0.42 0.00 0.00 0.00 175.10 175.40 1fba s THR 234 N 3.19 0.30 1.05 3.92 -4.23 -1.26 -4.59 115.64 114.02 1fba s THR 234 Ca 0.32 -1.62 -0.13 0.00 -1.18 0.00 0.00 61.69 59.07 1fba s THR 234 Cb -0.13 -1.26 0.22 0.00 1.34 0.00 0.00 72.50 72.67 1fba s THR 234 CO 0.19 -0.85 1.09 0.00 -0.54 0.00 0.00 174.62 174.50 1fba s ALA 235 N -3.26 0.68 0.66 3.99 0.00 -1.26 -4.70 121.76 117.87 1fba s ALA 235 Ca 0.03 -0.42 -0.16 0.00 0.00 0.00 0.00 51.96 51.40 1fba s ALA 235 Cb 0.03 -3.10 0.00 0.00 0.00 0.00 0.00 23.12 20.05 1fba s ALA 235 CO -0.07 -3.09 1.16 0.20 0.00 0.00 0.00 175.76 173.96 1fba s GLY 236 N -3.39 2.37 0.53 0.00 0.00 0.45 -4.90 107.32 102.37 1fba s GLY 236 Ca 0.66 0.77 0.30 0.00 0.00 0.00 0.00 44.72 46.45 1fba s GLY 236 CO 0.58 1.15 1.91 -1.61 0.00 0.00 0.00 173.10 175.13 1fba h GLN 237 N 0.17 0.01 -0.28 2.90 5.75 -1.18 0.17 115.11 122.65 1fba h GLN 237 Ca -0.48 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.02 1fba h GLN 237 Cb 1.27 -0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.82 1fba h GLN 237 CO 0.53 0.01 0.00 0.43 -2.65 0.00 0.00 178.83 177.15 1fba n SER 238 N -4.30 3.16 -4.98 -0.69 7.64 -0.59 -4.94 113.62 108.92 1fba n SER 238 Ca 0.17 -1.93 -0.20 0.00 1.01 0.00 0.00 58.87 57.92 1fba n SER 238 Cb 0.88 -0.18 0.01 0.00 -1.01 0.00 0.00 64.21 63.92 1fba n SER 238 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1fba s ALA 240 N -1.44 4.08 0.28 -0.43 0.00 0.61 -4.83 121.76 120.02 1fba s ALA 240 Ca 0.32 -1.37 -0.30 0.00 0.00 0.00 0.00 51.96 50.61 1fba s ALA 240 Cb 0.20 -1.90 -0.12 0.00 0.00 0.00 0.00 23.12 21.29 1fba s ALA 240 CO 0.28 -0.39 1.51 1.17 0.00 0.00 0.00 175.76 178.33 1fba n LYS 241 N -2.01 2.44 -2.37 0.00 4.81 -1.26 -4.85 118.16 114.92 1fba n LYS 241 Ca 0.04 0.87 -0.37 0.00 -0.87 0.00 0.00 58.31 57.98 1fba n LYS 241 Cb 0.59 -2.60 -0.02 0.00 0.02 0.00 0.00 35.03 33.02 1fba n LYS 241 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1fba s LYS 242 N -0.56 3.96 0.32 1.64 1.02 -1.26 -4.82 119.74 120.05 1fba s LYS 242 Ca 0.65 1.69 0.06 0.00 0.02 0.00 0.00 55.97 58.39 1fba s LYS 242 Cb -0.55 -2.51 -0.01 0.00 -0.52 0.00 0.00 37.83 34.24 1fba s LYS 242 CO 0.50 -0.36 0.44 -0.80 -0.92 0.00 0.00 175.35 174.21 1fba s ASN 243 N -1.39 5.96 0.51 2.83 -0.87 -1.26 -5.10 114.94 115.62 1fba s ASN 243 Ca 0.60 -0.18 -0.17 0.00 -1.57 0.00 0.00 52.86 51.54 1fba s ASN 243 Cb -0.27 -1.28 -0.08 0.00 -0.02 0.00 0.00 41.25 39.60 1fba s ASN 243 CO 0.33 -0.38 0.99 0.42 -2.57 0.00 0.00 177.10 175.89 1fba s THR 244 N -2.16 4.37 0.44 1.60 -4.23 -1.26 -4.89 115.64 109.50 1fba s THR 244 Ca 0.43 1.20 0.19 0.00 -1.18 0.00 0.00 61.69 62.34 1fba s THR 244 Cb -0.09 -3.64 0.39 0.00 1.34 0.00 0.00 72.50 70.50 1fba s THR 244 CO 0.30 -0.58 1.87 -0.65 -0.54 0.00 0.00 174.62 175.02 1fba h PRO 245 N 1.03 0.33 -0.28 3.99 0.11 -1.98 -0.38 132.00 134.82 1fba h PRO 245 Ca -0.47 -0.02 -0.17 0.00 0.11 0.00 0.00 66.00 65.44 1fba h PRO 245 Cb 1.19 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1fba h PRO 245 CO 0.61 0.22 -0.50 0.93 -0.21 0.00 0.00 178.00 179.05 1fba h GLU 246 N 0.35 0.83 -0.00 1.05 3.07 -1.95 0.18 114.58 118.10 1fba h GLU 246 Ca 0.45 -0.52 -0.00 0.00 -0.50 0.00 0.00 59.36 58.79 1fba h GLU 246 Cb 1.21 0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 29.18 1fba h GLU 246 CO -0.15 1.15 0.00 0.93 -1.40 0.00 0.00 179.01 179.54 1fba h GLU 247 N 0.60 0.00 -0.68 2.33 5.08 -1.69 -0.79 114.58 119.43 1fba h GLU 247 Ca 0.02 -0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.44 1fba h GLU 247 Cb 1.11 -0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.30 1fba h GLU 247 CO 0.11 0.17 0.37 0.82 -1.00 0.00 0.00 179.01 179.49 1fba h ILE 248 N -0.17 0.94 -0.35 3.13 2.04 -1.05 -1.15 117.51 120.89 1fba h ILE 248 Ca 0.00 -0.23 -0.04 0.00 1.00 0.00 0.00 64.86 65.59 1fba h ILE 248 Cb 0.17 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.45 1fba h ILE 248 CO -0.00 0.12 0.06 0.00 0.00 0.00 0.00 178.15 178.33 1fba h ALA 249 N 1.37 0.46 0.04 1.87 0.00 -0.40 -1.06 119.26 121.54 1fba h ALA 249 Ca 0.31 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1fba h ALA 249 Cb 0.23 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1fba h ALA 249 CO -0.20 0.16 -0.02 1.25 0.00 0.00 0.00 179.25 180.44 1fba h LEU 250 N 0.41 -0.05 -0.42 0.00 5.85 -0.74 -1.17 115.31 119.20 1fba h LEU 250 Ca 0.11 -0.17 0.08 0.00 0.84 0.00 0.00 57.88 58.73 1fba h LEU 250 Cb 0.35 0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.31 1fba h LEU 250 CO 0.01 0.15 -0.03 0.00 -0.34 0.00 0.00 178.44 178.22 1fba h ALA 251 N 0.71 0.36 -0.12 1.25 0.00 -1.13 0.24 119.26 120.55 1fba h ALA 251 Ca -0.01 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1fba h ALA 251 Cb 0.22 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1fba h ALA 251 CO 0.01 -0.41 0.07 1.15 0.00 0.00 0.00 179.25 180.06 1fba h THR 252 N 0.07 1.09 -0.54 0.00 2.02 -1.07 -1.09 112.91 113.38 1fba h THR 252 Ca 0.21 -0.24 -0.10 0.00 0.77 0.00 0.00 66.41 67.04 1fba h THR 252 Cb 0.31 1.03 -0.02 0.00 -1.74 0.00 0.00 68.15 67.73 1fba h THR 252 CO -0.38 0.08 -0.05 0.58 0.37 0.00 0.00 175.52 176.12 1fba h VAL 253 N 0.11 1.26 -0.13 3.16 2.07 -0.80 -1.67 116.25 120.26 1fba h VAL 253 Ca 0.04 -1.18 -0.00 0.00 0.82 0.00 0.00 66.70 66.38 1fba h VAL 253 Cb 0.07 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 1fba h VAL 253 CO -0.01 0.42 0.08 1.56 0.02 0.00 0.00 177.57 179.64 1fba h GLN 254 N 0.88 0.17 -0.65 1.57 4.20 -0.86 -0.33 115.11 120.09 1fba h GLN 254 Ca 0.15 -0.02 0.06 0.00 0.06 0.00 0.00 58.65 58.90 1fba h GLN 254 Cb 0.59 -0.04 -0.05 0.00 0.30 0.00 0.00 27.48 28.28 1fba h GLN 254 CO 0.04 0.15 0.36 0.00 -0.67 0.00 0.00 178.83 178.71 1fba h ALA 255 N 1.01 0.87 -0.21 3.87 0.00 -0.98 -1.67 119.26 122.15 1fba h ALA 255 Ca 0.05 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1fba h ALA 255 Cb 0.03 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1fba h ALA 255 CO -0.01 0.04 -0.14 -0.07 0.00 0.00 0.00 179.25 179.07 1fba h LEU 256 N 0.67 0.48 -1.52 0.00 3.38 -1.11 -3.06 115.31 114.16 1fba h LEU 256 Ca 0.29 -0.44 0.10 0.00 0.09 0.00 0.00 57.88 57.92 1fba h LEU 256 Cb 0.17 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 1fba h LEU 256 CO -0.18 0.82 0.45 0.03 0.09 0.00 0.00 178.44 179.65 1fba h ARG 257 N 0.15 0.53 0.00 1.13 3.08 -0.72 -0.52 114.38 118.03 1fba h ARG 257 Ca 0.04 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1fba h ARG 257 Cb 0.65 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.58 1fba h ARG 257 CO 0.04 0.35 -0.07 0.54 -1.07 0.00 0.00 179.97 179.75 1fba n ARG 258 N -4.48 0.12 0.00 0.04 1.74 -0.66 -4.55 116.66 108.87 1fba n ARG 258 Ca 0.11 0.09 0.00 0.00 -0.77 0.00 0.00 57.85 57.28 1fba n ARG 258 Cb 0.35 -1.63 0.00 0.00 -1.02 0.00 0.00 32.46 30.15 1fba n ARG 258 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1fba n THR 259 N -1.85 0.00 -3.32 0.55 -2.24 -0.88 -5.00 114.28 101.54 1fba n THR 259 Ca 0.06 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.41 1fba n THR 259 Cb 0.38 -0.25 -0.09 0.00 -2.10 0.00 0.00 70.33 68.28 1fba n THR 259 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1fba s VAL 260 N -1.27 5.09 0.48 2.28 1.01 -0.26 -4.73 120.40 123.00 1fba s VAL 260 Ca 0.00 -0.28 -0.22 0.00 0.00 0.00 0.00 61.98 61.48 1fba s VAL 260 Cb 0.00 -4.02 -0.09 0.00 0.00 0.00 0.00 36.38 32.27 1fba s VAL 260 CO 0.00 -0.39 1.00 -2.65 0.00 0.00 0.00 175.10 173.06 1fba n PRO 261 N 5.60 1.24 0.29 2.72 -0.02 -1.26 -4.81 135.00 138.75 1fba n PRO 261 Ca -0.07 0.45 0.16 0.00 -2.02 0.00 0.00 63.50 62.02 1fba n PRO 261 Cb 0.48 -2.10 0.94 0.00 -0.02 0.00 0.00 33.50 32.80 1fba n PRO 261 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1fba h ALA 262 N 1.22 1.50 0.00 3.55 0.00 -1.96 -1.26 119.26 122.31 1fba h ALA 262 Ca -0.46 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 1fba h ALA 262 Cb 1.34 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 1fba h ALA 262 CO 0.55 -0.06 -0.05 0.00 0.00 0.00 0.00 179.25 179.69 1fba h ALA 263 N 1.95 1.51 -2.25 0.00 0.00 -1.93 -3.42 119.26 115.12 1fba h ALA 263 Ca 0.01 -0.05 -0.55 0.00 0.00 0.00 0.00 54.91 54.33 1fba h ALA 263 Cb 0.09 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1fba h ALA 263 CO -0.00 0.07 1.06 0.08 0.00 0.00 0.00 179.25 180.45 1fba s VAL 264 N -4.54 3.69 0.38 0.00 1.01 -0.48 -3.35 120.40 117.11 1fba s VAL 264 Ca -0.04 0.84 0.06 0.00 0.00 0.00 0.00 61.98 62.84 1fba s VAL 264 Cb 0.15 -3.54 0.28 0.00 0.00 0.00 0.00 36.38 33.27 1fba s VAL 264 CO 0.58 -0.07 2.00 0.74 0.00 0.00 0.00 175.10 178.35 1fba h THR 265 N 5.55 1.06 -1.51 3.92 2.02 -1.68 -3.44 112.91 118.83 1fba h THR 265 Ca -0.37 -0.23 0.28 0.00 0.77 0.00 0.00 66.41 66.86 1fba h THR 265 Cb 1.17 0.32 -0.15 0.00 -1.74 0.00 0.00 68.15 67.75 1fba h THR 265 CO 0.96 0.12 0.80 -0.83 0.37 0.00 0.00 175.52 176.94 1fba s GLY 266 N -3.61 -0.36 -0.18 2.16 0.00 -1.26 -3.84 107.32 100.23 1fba s GLY 266 Ca -0.09 1.08 0.00 0.00 0.00 0.00 0.00 44.72 45.71 1fba s GLY 266 CO 0.76 0.30 -0.17 0.14 0.00 0.00 0.00 173.10 174.13 1fba s VAL 267 N -2.47 2.34 -0.36 1.40 1.01 -0.38 -1.65 120.40 120.29 1fba s VAL 267 Ca 0.12 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.26 1fba s VAL 267 Cb 0.02 -2.00 0.10 0.00 0.00 0.00 0.00 36.38 34.50 1fba s VAL 267 CO -0.04 0.52 0.10 0.42 0.00 0.00 0.00 175.10 176.09 1fba s THR 268 N 1.28 2.67 0.30 3.92 -4.23 0.18 -0.80 115.64 118.96 1fba s THR 268 Ca 0.04 -2.17 -0.29 0.00 -1.18 0.00 0.00 61.69 58.09 1fba s THR 268 Cb -0.13 -2.88 -0.10 0.00 1.34 0.00 0.00 72.50 70.73 1fba s THR 268 CO -0.10 -0.59 1.23 -0.36 -0.54 0.00 0.00 174.62 174.26 1fba s PHE 269 N 1.01 3.26 0.33 3.99 0.08 -0.58 -4.22 117.98 121.86 1fba s PHE 269 Ca 0.09 1.50 -0.11 0.00 0.12 0.00 0.00 56.93 58.53 1fba s PHE 269 Cb -0.20 -3.53 -0.07 0.00 -0.57 0.00 0.00 43.02 38.65 1fba s PHE 269 CO -0.06 -1.39 0.68 -0.48 -0.10 0.00 0.00 175.22 173.87 1fba s LEU 270 N -1.47 3.99 0.07 -0.37 0.05 -0.96 -1.01 118.68 118.98 1fba s LEU 270 Ca 0.48 1.06 0.23 0.00 0.05 0.00 0.00 54.13 55.95 1fba s LEU 270 Cb -0.37 -3.89 0.15 0.00 -2.05 0.00 0.00 46.19 40.04 1fba s LEU 270 CO 0.47 -0.25 1.12 -1.54 -0.55 0.00 0.00 176.35 175.60 1fba n SER 271 N -0.78 0.64 0.00 1.48 3.41 -1.26 -4.35 113.62 112.75 1fba n SER 271 Ca 0.02 -0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.52 1fba n SER 271 Cb 0.53 0.59 0.00 0.00 -0.26 0.00 0.00 64.21 65.07 1fba n SER 271 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1fba n GLY 272 N 1.36 3.73 0.95 5.00 0.00 -1.26 -2.01 105.19 112.96 1fba n GLY 272 Ca 0.02 -0.03 0.08 0.00 0.00 0.00 0.00 46.02 46.09 1fba n GLY 272 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fba n GLY 273 N 0.00 3.14 3.76 -0.02 0.00 -1.26 -4.77 105.19 106.05 1fba n GLY 273 Ca 0.00 -0.70 -0.38 0.00 0.00 0.00 0.00 46.02 44.95 1fba n GLY 273 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1fba s GLN 274 N -1.75 3.48 1.00 1.61 -0.21 -0.85 -2.98 119.66 119.96 1fba s GLN 274 Ca 0.36 1.97 -0.12 0.00 0.02 0.00 0.00 55.36 57.59 1fba s GLN 274 Cb 0.24 -2.33 0.19 0.00 1.00 0.00 0.00 33.01 32.11 1fba s GLN 274 CO 0.16 -0.84 1.08 -1.54 -2.12 0.00 0.00 175.29 172.04 1fba s SER 275 N -1.20 2.55 0.21 5.90 1.04 -1.26 -4.28 113.70 116.66 1fba s SER 275 Ca 0.67 1.30 -0.10 0.00 0.48 0.00 0.00 55.95 58.30 1fba s SER 275 Cb -0.34 -1.99 0.15 0.00 0.10 0.00 0.00 66.02 63.95 1fba s SER 275 CO 0.40 -3.19 1.87 -0.33 0.98 0.00 0.00 173.24 172.96 1fba h GLU 276 N -1.93 1.00 -0.11 4.02 5.08 -1.83 -1.82 114.58 118.98 1fba h GLU 276 Ca -0.54 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 57.69 1fba h GLU 276 Cb 1.32 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 30.35 1fba h GLU 276 CO 0.56 0.68 -0.13 1.49 -1.00 0.00 0.00 179.01 180.61 1fba h GLU 277 N 1.02 0.28 -0.32 2.33 4.22 -1.88 -3.04 114.58 117.20 1fba h GLU 277 Ca 0.27 -0.15 0.06 0.00 0.08 0.00 0.00 59.36 59.62 1fba h GLU 277 Cb -0.08 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.11 1fba h GLU 277 CO -0.06 0.70 -0.07 0.93 -2.18 0.00 0.00 179.01 178.34 1fba h GLU 278 N -0.13 0.01 -0.81 1.92 5.08 -1.88 0.49 114.58 119.26 1fba h GLU 278 Ca 0.02 -0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.46 1fba h GLU 278 Cb 0.66 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.85 1fba h GLU 278 CO 0.03 0.01 0.53 0.00 -1.00 0.00 0.00 179.01 178.57 1fba h ALA 279 N 1.31 1.69 0.01 3.43 0.00 -1.39 0.22 119.26 124.54 1fba h ALA 279 Ca 0.15 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1fba h ALA 279 Cb 0.23 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1fba h ALA 279 CO -0.32 0.16 -0.01 1.15 0.00 0.00 0.00 179.25 180.23 1fba h THR 280 N 0.81 1.52 -0.56 0.00 2.02 -1.23 -2.68 112.91 112.80 1fba h THR 280 Ca 0.36 -1.75 0.01 0.00 0.77 0.00 0.00 66.41 65.80 1fba h THR 280 Cb 0.36 2.68 -0.03 0.00 -1.74 0.00 0.00 68.15 69.42 1fba h THR 280 CO -0.14 0.44 0.37 0.58 0.37 0.00 0.00 175.52 177.14 1fba h VAL 281 N -0.79 1.14 -0.17 3.16 2.07 -0.70 -1.34 116.25 119.62 1fba h VAL 281 Ca -0.00 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 67.26 1fba h VAL 281 Cb 0.74 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 1fba h VAL 281 CO 0.00 0.14 0.10 0.78 0.02 0.00 0.00 177.57 178.61 1fba h ASN 282 N 0.76 0.21 -0.69 0.57 2.35 -0.68 -1.13 115.58 116.97 1fba h ASN 282 Ca 0.20 -0.05 0.03 0.00 -0.55 0.00 0.00 56.30 55.93 1fba h ASN 282 Cb -0.09 -0.05 -0.04 0.00 0.05 0.00 0.00 38.32 38.19 1fba h ASN 282 CO -0.04 0.20 0.46 0.25 -1.65 0.00 0.00 177.43 176.64 1fba h LEU 283 N 0.20 0.72 -0.21 1.61 5.85 -1.23 -1.14 115.31 121.11 1fba h LEU 283 Ca 0.06 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.70 1fba h LEU 283 Cb 0.03 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 40.89 1fba h LEU 283 CO -0.01 0.50 -0.16 -1.28 -0.34 0.00 0.00 178.44 177.15 1fba h SER 284 N 0.84 0.50 -0.89 1.25 0.87 -0.70 -2.64 113.55 112.79 1fba h SER 284 Ca 0.27 -0.45 -0.00 0.00 -1.23 0.00 0.00 61.79 60.38 1fba h SER 284 Cb 0.04 -0.14 -0.04 0.00 -0.44 0.00 0.00 62.40 61.82 1fba h SER 284 CO -0.07 0.85 0.54 0.00 -0.53 0.00 0.00 176.83 177.61 1fba h ALA 285 N 0.67 1.27 -0.91 6.23 0.00 -0.87 -2.12 119.26 123.53 1fba h ALA 285 Ca 0.04 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.91 1fba h ALA 285 Cb 0.69 -0.36 -0.06 0.00 0.00 0.00 0.00 17.79 18.06 1fba h ALA 285 CO 0.04 0.63 0.58 0.82 0.00 0.00 0.00 179.25 181.32 1fba h ILE 286 N 1.23 1.09 -0.06 0.00 2.04 -1.05 -1.58 117.51 119.18 1fba h ILE 286 Ca 0.32 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.81 1fba h ILE 286 Cb -0.06 -0.08 0.00 0.00 -0.74 0.00 0.00 36.82 35.94 1fba h ILE 286 CO -0.06 0.20 0.00 0.59 0.00 0.00 0.00 178.15 178.87 1fba n ASN 287 N -4.56 0.66 0.00 1.72 3.02 -0.80 -2.85 115.26 112.44 1fba n ASN 287 Ca 0.13 -2.02 0.00 0.00 -0.03 0.00 0.00 54.58 52.65 1fba n ASN 287 Cb 0.15 -0.19 0.00 0.00 -0.61 0.00 0.00 39.78 39.13 1fba n ASN 287 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1fba n ASN 288 N -0.21 1.02 -4.71 6.41 3.02 -0.61 -4.53 115.26 115.66 1fba n ASN 288 Ca 0.02 -1.19 -0.42 0.00 -0.03 0.00 0.00 54.58 52.96 1fba n ASN 288 Cb 0.14 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.28 1fba n ASN 288 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1fba s VAL 289 N -0.19 3.32 -1.34 2.41 1.01 -1.13 -4.87 120.40 119.60 1fba s VAL 289 Ca 0.00 0.90 -0.08 0.00 0.00 0.00 0.00 61.98 62.80 1fba s VAL 289 Cb 0.00 -3.58 -0.08 0.00 0.00 0.00 0.00 36.38 32.72 1fba s VAL 289 CO 0.00 0.05 2.67 -0.81 0.00 0.00 0.00 175.10 177.01 1fba n PRO 290 N 4.36 3.09 -3.91 2.72 -0.04 -1.26 -4.75 135.00 135.20 1fba n PRO 290 Ca 0.12 -1.91 -0.10 0.00 -0.04 0.00 0.00 63.50 61.57 1fba n PRO 290 Cb 0.42 -2.66 -0.10 0.00 -0.04 0.00 0.00 33.50 31.12 1fba n PRO 290 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1fba s LEU 291 N 0.14 1.78 0.27 1.53 1.43 -1.26 -5.13 118.68 117.45 1fba s LEU 291 Ca 0.59 -0.35 -0.30 0.00 -1.03 0.00 0.00 54.13 53.04 1fba s LEU 291 Cb 0.15 0.51 -0.10 0.00 0.03 0.00 0.00 46.19 46.79 1fba s LEU 291 CO -0.05 -0.38 1.40 -0.63 0.23 0.00 0.00 176.35 176.91 1fba s ILE 292 N -1.67 2.70 -0.35 -0.59 1.01 -1.26 -4.98 121.20 116.06 1fba s ILE 292 Ca -0.13 0.61 -0.00 0.00 0.00 0.00 0.00 60.65 61.13 1fba s ILE 292 Cb -0.07 -3.39 0.11 0.00 0.01 0.00 0.00 42.46 39.12 1fba s ILE 292 CO -0.00 0.11 0.15 -0.13 0.00 0.00 0.00 174.94 175.07 1fba s ARG 293 N -0.78 0.80 0.00 2.79 0.52 -1.26 -4.97 118.95 116.06 1fba s ARG 293 Ca 0.56 -1.30 0.21 0.00 -0.52 0.00 0.00 55.73 54.68 1fba s ARG 293 Cb -0.41 -1.94 1.27 0.00 0.52 0.00 0.00 34.95 34.39 1fba s ARG 293 CO 0.46 -1.06 1.72 -0.35 0.02 0.00 0.00 175.30 176.09 1fba n PRO 294 N 4.46 0.83 -4.19 3.54 -0.04 -1.26 -4.78 135.00 133.55 1fba n PRO 294 Ca 0.02 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.31 1fba n PRO 294 Cb 0.40 -1.40 -0.11 0.00 -0.04 0.00 0.00 33.50 32.34 1fba n PRO 294 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1fba s TRP 295 N -2.00 1.19 0.29 0.54 0.51 -1.26 -4.96 118.94 113.25 1fba s TRP 295 Ca 0.32 -0.56 -0.29 0.00 -2.12 0.00 0.00 56.10 53.44 1fba s TRP 295 Cb 0.15 -0.65 -0.10 0.00 -0.81 0.00 0.00 33.47 32.06 1fba s TRP 295 CO 0.25 0.06 1.39 0.00 -0.51 0.00 0.00 176.95 178.13 1fba s ALA 296 N -1.97 3.57 -0.45 0.98 0.00 -1.25 -4.89 121.76 117.76 1fba s ALA 296 Ca 0.04 1.32 0.01 0.00 0.00 0.00 0.00 51.96 53.33 1fba s ALA 296 Cb -0.06 -3.53 0.12 0.00 0.00 0.00 0.00 23.12 19.65 1fba s ALA 296 CO 0.02 -0.73 0.20 -0.51 0.00 0.00 0.00 175.76 174.73 1fba s LEU 297 N -1.07 4.83 0.00 0.00 1.43 -1.26 -1.25 118.68 121.36 1fba s LEU 297 Ca 0.55 -2.47 0.00 0.00 -1.03 0.00 0.00 54.13 51.18 1fba s LEU 297 Cb -0.41 -1.71 0.00 0.00 0.03 0.00 0.00 46.19 44.10 1fba s LEU 297 CO 0.49 -0.37 0.00 1.07 0.23 0.00 0.00 176.35 177.76 1fba n THR 298 N 3.90 0.00 -4.43 5.49 5.66 0.02 -4.64 114.28 120.27 1fba n THR 298 Ca 0.03 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.77 1fba n THR 298 Cb 0.39 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.05 1fba n THR 298 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 175.07 172.74 1fba s PHE 299 N 0.41 2.31 -0.42 1.09 -0.71 -1.26 -1.52 117.98 117.87 1fba s PHE 299 Ca 0.00 -0.35 0.06 0.00 -1.04 0.00 0.00 56.93 55.61 1fba s PHE 299 Cb 0.00 -1.11 0.22 0.00 -1.21 0.00 0.00 43.02 40.92 1fba s PHE 299 CO 0.00 0.56 0.54 0.45 -1.34 0.00 0.00 175.22 175.43 1fba n SER 300 N 0.02 -0.82 -4.86 1.98 2.88 -0.18 -0.53 113.62 112.12 1fba n SER 300 Ca -0.10 -2.71 -0.37 0.00 -1.33 0.00 0.00 58.87 54.35 1fba n SER 300 Cb 0.57 -0.02 -0.06 0.00 -0.75 0.00 0.00 64.21 63.95 1fba n SER 300 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 1fba s TYR 301 N -0.35 3.67 0.00 0.66 2.02 -0.92 -4.40 117.35 118.03 1fba s TYR 301 Ca 0.34 0.77 0.00 0.00 -0.37 0.00 0.00 57.07 57.81 1fba s TYR 301 Cb 0.13 -2.12 0.00 0.00 -0.40 0.00 0.00 41.96 39.56 1fba s TYR 301 CO -0.15 0.69 0.00 0.41 -1.57 0.00 0.00 175.55 174.92 1fba n GLY 302 N 1.86 0.19 0.37 0.71 0.00 -1.26 -0.96 105.19 106.10 1fba n GLY 302 Ca -0.17 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.89 1fba n GLY 302 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1fba h ARG 303 N 0.00 1.08 0.00 1.61 3.08 -1.95 -1.76 114.38 116.44 1fba h ARG 303 Ca 0.00 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.98 1fba h ARG 303 Cb 0.00 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 29.81 1fba h ARG 303 CO 0.00 0.72 0.00 0.00 -1.07 0.00 0.00 179.97 179.62 1fba h ALA 304 N 1.48 1.00 0.00 0.04 0.00 -1.88 0.20 119.26 120.11 1fba h ALA 304 Ca 0.41 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.30 1fba h ALA 304 Cb 0.17 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1fba h ALA 304 CO -0.16 0.00 -1.69 1.28 0.00 0.00 0.00 179.25 178.68 1fba n LEU 305 N -2.47 0.00 -0.00 0.00 4.77 -0.70 -4.68 117.00 113.91 1fba n LEU 305 Ca -0.01 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.02 1fba n LEU 305 Cb 0.08 0.04 -0.08 0.00 -2.33 0.00 0.00 43.42 41.13 1fba n LEU 305 CO 0.14 0.04 -0.40 0.00 -1.33 0.00 0.00 177.39 175.83 1fba n GLN 306 N -2.06 1.52 -0.14 3.23 6.02 -0.65 -4.68 117.38 120.62 1fba n GLN 306 Ca -0.05 -0.06 -0.06 0.00 -0.01 0.00 0.00 57.00 56.82 1fba n GLN 306 Cb 0.44 -1.16 -0.00 0.00 1.02 0.00 0.00 30.24 30.54 1fba n GLN 306 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1fba h ALA 307 N 1.18 -0.07 0.00 -1.58 0.00 -0.89 -1.18 119.26 116.72 1fba h ALA 307 Ca 0.00 0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 1fba h ALA 307 Cb 0.41 0.66 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1fba h ALA 307 CO 0.00 -0.67 -0.49 0.77 0.00 0.00 0.00 179.25 178.87 1fba h SER 308 N -0.20 0.00 0.85 0.00 0.02 -1.85 -2.99 113.55 109.37 1fba h SER 308 Ca 0.20 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.10 1fba h SER 308 Cb 0.52 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.07 1fba h SER 308 CO -0.56 0.49 -0.41 0.58 -1.14 0.00 0.00 176.83 175.79 1fba h VAL 309 N 0.00 0.15 -0.62 2.27 2.07 -1.52 -0.27 116.25 118.33 1fba h VAL 309 Ca -0.00 -0.03 0.10 0.00 0.82 0.00 0.00 66.70 67.58 1fba h VAL 309 Cb 1.05 0.16 -0.08 0.00 -1.52 0.00 0.00 31.29 30.90 1fba h VAL 309 CO 0.06 0.00 0.22 -0.07 0.02 0.00 0.00 177.57 177.81 1fba h LEU 310 N -1.16 0.20 -0.27 2.57 3.38 -1.39 0.10 115.31 118.73 1fba h LEU 310 Ca -0.12 0.09 0.03 0.00 0.09 0.00 0.00 57.88 57.97 1fba h LEU 310 Cb 0.88 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.67 1fba h LEU 310 CO 0.19 0.11 0.08 -0.09 0.09 0.00 0.00 178.44 178.82 1fba h ARG 311 N 0.39 0.19 -0.56 1.13 2.43 -1.42 0.52 114.38 117.05 1fba h ARG 311 Ca 0.32 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.45 1fba h ARG 311 Cb 0.42 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.90 1fba h ARG 311 CO -0.33 0.12 0.24 0.00 -1.51 0.00 0.00 179.97 178.49 1fba h ALA 312 N 1.18 0.73 0.34 2.80 0.00 -0.05 -3.29 119.26 120.98 1fba h ALA 312 Ca 0.12 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1fba h ALA 312 Cb 0.11 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1fba h ALA 312 CO -0.14 0.33 -0.16 2.35 0.00 0.00 0.00 179.25 181.62 1fba h TRP 313 N 0.77 -0.43 0.00 0.00 7.01 -0.52 -3.43 115.95 119.36 1fba h TRP 313 Ca 0.19 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.18 1fba h TRP 313 Cb 0.18 0.14 0.00 0.00 -2.10 0.00 0.00 29.16 27.38 1fba h TRP 313 CO 0.01 -0.26 0.00 0.00 -2.79 0.00 0.00 178.44 175.39 1fba n ALA 314 N -2.27 0.00 -0.00 2.65 0.00 0.15 -2.54 120.51 118.50 1fba n ALA 314 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1fba n ALA 314 Cb 0.18 -0.33 0.00 0.00 0.00 0.00 0.00 19.45 19.30 1fba n ALA 314 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fba n GLY 315 N -2.00 0.39 3.69 0.00 0.00 -1.26 -4.79 105.19 101.21 1fba n GLY 315 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1fba n GLY 315 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fba s LYS 316 N -1.00 4.24 0.60 1.61 1.02 -1.05 -4.96 119.74 120.20 1fba s LYS 316 Ca 0.00 0.36 0.35 0.00 0.02 0.00 0.00 55.97 56.70 1fba s LYS 316 Cb 0.00 -3.51 1.91 0.00 -0.52 0.00 0.00 37.83 35.72 1fba s LYS 316 CO 0.00 -0.00 2.07 -0.22 -0.92 0.00 0.00 175.35 176.28 1fba h LYS 317 N 7.15 0.00 0.00 1.68 1.63 -1.97 -0.24 116.57 124.82 1fba h LYS 317 Ca -0.37 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.43 1fba h LYS 317 Cb 1.16 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.79 1fba h LYS 317 CO 0.74 0.00 -0.47 0.39 -3.45 0.00 0.00 179.45 176.66 1fba n GLU 318 N -2.85 0.26 -0.15 1.90 4.71 -1.26 -3.66 120.64 119.59 1fba n GLU 318 Ca -0.02 0.10 0.12 0.00 -0.01 0.00 0.00 57.16 57.35 1fba n GLU 318 Cb 0.18 -1.69 0.24 0.00 -1.01 0.00 0.00 31.44 29.16 1fba n GLU 318 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1fba n ASN 319 N -2.08 3.01 0.05 1.62 5.03 -0.10 -4.53 115.26 118.27 1fba n ASN 319 Ca 0.04 -1.93 -0.13 0.00 0.87 0.00 0.00 54.58 53.43 1fba n ASN 319 Cb 0.43 -0.19 -0.06 0.00 -1.02 0.00 0.00 39.78 38.93 1fba n ASN 319 CO 0.00 0.00 0.00 0.40 -1.83 0.00 0.00 177.26 175.83 1fba h ILE 320 N 4.00 0.20 -0.78 2.41 2.04 -1.64 -0.27 117.51 123.46 1fba h ILE 320 Ca 0.00 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.96 1fba h ILE 320 Cb 0.88 0.20 -0.07 0.00 -0.74 0.00 0.00 36.82 37.08 1fba h ILE 320 CO 0.00 0.00 0.43 0.00 0.00 0.00 0.00 178.15 178.58 1fba h ALA 321 N 0.08 1.11 0.27 1.87 0.00 -1.88 -1.12 119.26 119.59 1fba h ALA 321 Ca 0.06 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1fba h ALA 321 Cb 0.62 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1fba h ALA 321 CO -0.31 0.04 -0.17 0.00 0.00 0.00 0.00 179.25 178.80 1fba h ALA 322 N 1.45 -0.42 -0.22 0.00 0.00 -1.63 -0.87 119.26 117.57 1fba h ALA 322 Ca 0.38 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.26 1fba h ALA 322 Cb 0.38 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 1fba h ALA 322 CO -0.26 -0.75 -0.06 0.78 0.00 0.00 0.00 179.25 178.97 1fba h GLY 323 N -0.44 0.16 0.89 0.00 0.00 -0.62 -1.75 103.07 101.31 1fba h GLY 323 Ca -0.02 0.07 0.09 0.00 0.00 0.00 0.00 47.33 47.47 1fba h GLY 323 CO 0.02 -0.08 0.50 1.46 0.00 0.00 0.00 176.54 178.43 1fba h GLN 324 N -0.00 0.68 -0.29 4.80 4.20 -1.04 -0.89 115.11 122.57 1fba h GLN 324 Ca 0.11 -0.04 -0.11 0.00 0.06 0.00 0.00 58.65 58.67 1fba h GLN 324 Cb 0.16 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 1fba h GLN 324 CO -0.23 0.45 -0.27 -0.91 -0.67 0.00 0.00 178.83 177.20 1fba h ASN 325 N 0.70 0.60 -0.36 1.46 2.35 -0.29 -1.96 115.58 118.07 1fba h ASN 325 Ca 0.35 -0.22 -0.11 0.00 -0.55 0.00 0.00 56.30 55.76 1fba h ASN 325 Cb 0.42 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.62 1fba h ASN 325 CO -0.13 0.85 -0.19 -0.33 -1.65 0.00 0.00 177.43 175.99 1fba h GLU 326 N 0.51 0.84 -0.18 0.81 4.39 -0.63 -1.48 114.58 118.84 1fba h GLU 326 Ca 0.07 -0.33 -0.01 0.00 0.34 0.00 0.00 59.36 59.43 1fba h GLU 326 Cb 0.74 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.34 1fba h GLU 326 CO 0.06 0.96 0.06 1.25 -1.16 0.00 0.00 179.01 180.18 1fba h LEU 327 N 0.74 0.26 -0.49 1.33 5.85 -1.27 -1.75 115.31 119.98 1fba h LEU 327 Ca 0.11 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.64 1fba h LEU 327 Cb 0.71 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.65 1fba h LEU 327 CO 0.05 0.38 0.32 -0.07 -0.34 0.00 0.00 178.44 178.78 1fba h LEU 328 N 0.12 0.57 -0.28 2.25 3.38 -1.24 -0.30 115.31 119.82 1fba h LEU 328 Ca 0.06 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1fba h LEU 328 Cb 0.21 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1fba h LEU 328 CO -0.00 0.43 0.17 0.11 0.09 0.00 0.00 178.44 179.23 1fba h LYS 329 N 0.66 0.37 -0.22 1.13 1.57 -1.17 -1.75 116.57 117.17 1fba h LYS 329 Ca 0.18 -0.03 -0.12 0.00 -1.87 0.00 0.00 60.65 58.80 1fba h LYS 329 Cb -0.06 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 1fba h LYS 329 CO -0.04 0.29 -0.38 0.00 -0.57 0.00 0.00 179.45 178.76 1fba h ARG 330 N 0.35 0.49 -0.40 3.15 2.47 -1.13 -2.19 114.38 117.12 1fba h ARG 330 Ca 0.10 -0.23 -0.16 0.00 -1.26 0.00 0.00 59.98 58.43 1fba h ARG 330 Cb 0.02 -0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.33 1fba h ARG 330 CO -0.02 0.79 -0.38 0.00 0.56 0.00 0.00 179.97 180.93 1fba h ALA 331 N 1.18 0.58 0.01 0.04 0.00 -0.94 -1.78 119.26 118.36 1fba h ALA 331 Ca 0.04 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 1fba h ALA 331 Cb 0.85 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1fba h ALA 331 CO 0.07 0.68 -0.01 -0.22 0.00 0.00 0.00 179.25 179.78 1fba h LYS 332 N 0.78 -0.01 -0.81 0.00 1.63 -1.21 0.14 116.57 117.09 1fba h LYS 332 Ca 0.07 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.83 1fba h LYS 332 Cb 0.97 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.57 1fba h LYS 332 CO 0.09 0.02 0.35 0.00 -3.45 0.00 0.00 179.45 176.47 1fba h ALA 333 N 0.95 1.10 -0.05 5.00 0.00 -1.37 -0.84 119.26 124.04 1fba h ALA 333 Ca -0.00 -0.18 -0.17 0.00 0.00 0.00 0.00 54.91 54.56 1fba h ALA 333 Cb 0.04 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1fba h ALA 333 CO 0.00 0.66 -0.70 -0.91 0.00 0.00 0.00 179.25 178.30 1fba h ASN 334 N 1.17 0.30 -0.50 0.00 2.35 -1.18 -0.98 115.58 116.74 1fba h ASN 334 Ca 0.27 -0.20 -0.02 0.00 -0.55 0.00 0.00 56.30 55.81 1fba h ASN 334 Cb 0.17 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.43 1fba h ASN 334 CO -0.03 0.91 0.25 1.23 -1.65 0.00 0.00 177.43 178.14 1fba h GLY 335 N 1.55 0.76 0.99 2.83 0.00 -0.34 0.18 103.07 109.04 1fba h GLY 335 Ca -0.02 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 46.94 1fba h GLY 335 CO 0.11 0.35 0.13 -0.55 0.00 0.00 0.00 176.54 176.58 1fba h ASP 336 N 0.66 0.24 -0.95 0.19 3.32 -1.04 -2.69 116.42 116.15 1fba h ASP 336 Ca 0.17 -0.03 0.08 0.00 0.02 0.00 0.00 57.03 57.27 1fba h ASP 336 Cb 0.10 -0.06 -0.07 0.00 0.22 0.00 0.00 39.33 39.52 1fba h ASP 336 CO -0.02 0.20 0.60 0.00 -1.72 0.00 0.00 179.24 178.29 1fba h ALA 337 N 1.05 1.34 0.00 3.45 0.00 -0.88 0.83 119.26 125.05 1fba h ALA 337 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1fba h ALA 337 Cb -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.53 1fba h ALA 337 CO -0.01 0.33 0.00 0.00 0.00 0.00 0.00 179.25 179.56 1fba n ALA 338 N -2.36 1.11 0.04 0.00 0.00 0.03 -0.72 120.51 118.61 1fba n ALA 338 Ca 0.15 -0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.59 1fba n ALA 338 Cb 0.22 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.63 1fba n ALA 338 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1fba n GLN 339 N -1.52 -0.38 -1.14 0.00 6.02 0.10 -4.71 117.38 115.74 1fba n GLN 339 Ca 0.01 -0.53 -0.05 0.00 -0.01 0.00 0.00 57.00 56.42 1fba n GLN 339 Cb 0.03 -0.99 -0.02 0.00 1.02 0.00 0.00 30.24 30.28 1fba n GLN 339 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1fba n GLY 340 N 0.12 0.75 1.18 1.08 0.00 0.10 -4.95 105.19 103.48 1fba n GLY 340 Ca 0.01 -0.71 0.02 0.00 0.00 0.00 0.00 46.02 45.33 1fba n GLY 340 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1fba n LYS 341 N -2.73 2.69 -3.13 1.61 5.02 -0.13 -4.89 118.16 116.59 1fba n LYS 341 Ca -0.05 -2.99 -0.39 0.00 -2.02 0.00 0.00 58.31 52.86 1fba n LYS 341 Cb 0.18 -1.90 -0.05 0.00 -0.02 0.00 0.00 35.03 33.23 1fba n LYS 341 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 1fba s TYR 342 N -3.00 3.53 -0.48 2.13 5.04 -1.25 -4.80 117.35 118.51 1fba s TYR 342 Ca 0.45 1.10 -0.21 0.00 -2.44 0.00 0.00 57.07 55.98 1fba s TYR 342 Cb 0.38 -2.73 0.04 0.00 0.35 0.00 0.00 41.96 40.00 1fba s TYR 342 CO 0.07 0.07 0.71 0.08 -1.34 0.00 0.00 175.55 175.14 1fba s VAL 343 N 0.91 4.74 -0.18 3.14 1.01 -1.26 -4.99 120.40 123.77 1fba s VAL 343 Ca 0.33 -0.01 -0.42 0.00 0.00 0.00 0.00 61.98 61.88 1fba s VAL 343 Cb -0.17 -4.31 -0.19 0.00 0.00 0.00 0.00 36.38 31.72 1fba s VAL 343 CO 0.15 -0.77 1.37 0.00 0.00 0.00 0.00 175.10 175.85 1fba n ALA 345 N 6.50 -2.04 -1.01 5.51 0.00 -1.26 -1.16 120.51 127.05 1fba n ALA 345 Ca -0.02 0.53 -0.00 0.00 0.00 0.00 0.00 53.44 53.94 1fba n ALA 345 Cb 0.47 -1.93 -0.00 0.00 0.00 0.00 0.00 19.45 17.99 1fba n ALA 345 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fba n GLY 346 N 2.80 0.46 0.03 0.00 0.00 -1.26 -4.91 105.19 102.31 1fba n GLY 346 Ca 0.24 -0.17 0.14 0.00 0.00 0.00 0.00 46.02 46.22 1fba n GLY 346 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1fba n SER 347 N 0.18 0.24 -0.70 1.61 3.41 -0.31 -3.53 113.62 114.51 1fba n SER 347 Ca -0.00 0.48 0.08 0.00 -0.26 0.00 0.00 58.87 59.17 1fba n SER 347 Cb 0.07 -0.54 0.10 0.00 -0.26 0.00 0.00 64.21 63.58 1fba n SER 347 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1fba n ALA 348 N -1.58 2.42 0.00 7.33 0.00 -1.26 -5.07 120.51 122.35 1fba n ALA 348 Ca 0.07 -0.76 0.00 0.00 0.00 0.00 0.00 53.44 52.74 1fba n ALA 348 Cb 0.36 -0.56 0.00 0.00 0.00 0.00 0.00 19.45 19.26 1fba n ALA 348 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fba n GLY 349 N 0.91 0.78 1.77 0.00 0.00 -1.23 -4.83 105.19 102.59 1fba n GLY 349 Ca 0.11 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.32 1fba n GLY 349 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fba n ALA 351 N -1.00 2.22 0.00 4.61 0.00 -1.26 -4.84 120.51 120.24 1fba n ALA 351 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1fba n ALA 351 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1fba n ALA 351 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fba n GLY 352 N 0.81 -1.02 2.25 0.00 0.00 -1.26 -4.33 105.19 101.64 1fba n GLY 352 Ca 0.00 -1.65 -0.18 0.00 0.00 0.00 0.00 46.02 44.19 1fba n GLY 352 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1fba n SER 353 N -1.36 -3.24 0.00 1.61 3.41 -1.26 -4.94 113.62 107.84 1fba n SER 353 Ca 0.00 -0.53 0.00 0.00 -0.26 0.00 0.00 58.87 58.08 1fba n SER 353 Cb 0.00 -0.66 0.00 0.00 -0.26 0.00 0.00 64.21 63.29 1fba n SER 353 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1fba n GLY 354 N -3.14 0.51 2.77 5.00 0.00 -1.26 -4.52 105.19 104.56 1fba n GLY 354 Ca 0.08 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.89 1fba n GLY 354 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1fba s SER 355 N -1.00 1.25 -0.20 1.61 0.01 -1.26 -4.29 113.70 109.81 1fba s SER 355 Ca 0.00 -0.05 0.11 0.00 1.31 0.00 0.00 55.95 57.32 1fba s SER 355 Cb 0.00 -0.35 0.68 0.00 0.21 0.00 0.00 66.02 66.55 1fba s SER 355 CO 0.00 -0.17 1.54 0.18 0.41 0.00 0.00 173.24 175.20 1fba n LEU 356 N 4.89 4.96 -4.69 2.44 4.77 -1.16 -4.94 117.00 123.27 1fba n LEU 356 Ca -0.12 -2.52 -0.42 0.00 -0.03 0.00 0.00 56.01 52.92 1fba n LEU 356 Cb 0.50 -0.66 -0.03 0.00 -2.33 0.00 0.00 43.42 40.91 1fba n LEU 356 CO 0.13 0.57 0.80 0.12 -1.33 0.00 0.00 177.39 177.69 1fba s PHE 357 N -2.47 3.49 -0.16 -1.77 5.36 -1.20 -4.69 117.98 116.54 1fba s PHE 357 Ca 0.45 1.57 0.01 0.00 -0.96 0.00 0.00 56.93 58.00 1fba s PHE 357 Cb 0.35 -3.20 0.03 0.00 -0.34 0.00 0.00 43.02 39.85 1fba s PHE 357 CO 0.13 -0.29 -0.14 0.08 -1.46 0.00 0.00 175.22 173.54 1fba s VAL 358 N 2.08 1.64 0.21 3.12 1.01 -1.26 -5.07 120.40 122.13 1fba s VAL 358 Ca 0.48 -0.76 -0.30 0.00 0.00 0.00 0.00 61.98 61.40 1fba s VAL 358 Cb -0.18 -1.58 -0.08 0.00 0.00 0.00 0.00 36.38 34.54 1fba s VAL 358 CO 0.18 0.39 0.95 0.00 0.00 0.00 0.00 175.10 176.61 1fba s ALA 359 N 1.44 3.32 0.00 5.51 0.00 -1.26 -4.75 121.76 126.03 1fba s ALA 359 Ca 0.03 0.62 0.00 0.00 0.00 0.00 0.00 51.96 52.61 1fba s ALA 359 Cb -0.14 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.75 1fba s ALA 359 CO -0.10 0.14 0.00 0.09 0.00 0.00 0.00 175.76 175.89 1fba n ASN 360 N 1.78 0.00 -0.10 0.00 3.02 -1.26 -5.10 115.26 113.60 1fba n ASN 360 Ca -0.01 0.00 -0.16 0.00 -0.03 0.00 0.00 54.58 54.38 1fba n ASN 360 Cb 0.47 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.59 1fba n ASN 360 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1fba n HIS 361 N 0.00 0.00 -2.91 3.10 8.25 -1.26 -4.94 115.22 117.47 1fba n HIS 361 Ca 0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.05 1fba n HIS 361 Cb 0.00 -0.65 -0.04 0.00 1.12 0.00 0.00 29.99 30.42 1fba n HIS 361 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1fba s ALA 362 N -2.70 3.42 0.00 -1.41 0.00 -1.26 -5.00 121.76 114.82 1fba s ALA 362 Ca -0.31 0.13 0.00 0.00 0.00 0.00 0.00 51.96 51.78 1fba s ALA 362 Cb 0.08 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 20.02 1fba s ALA 362 CO 0.42 -0.45 0.00 0.66 0.00 0.00 0.00 175.76 176.39