#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 0.33 -3.27 12.58 -2.24 -1.26 -4.75 114.28 115.67 1fba n THR 2 Ca 0.00 -0.55 -0.43 0.00 -2.27 0.00 0.00 64.05 60.80 1fba n THR 2 Cb 0.00 -0.16 -0.08 0.00 -2.10 0.00 0.00 70.33 67.98 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 -3.38 3.14 0.31 4.78 2.02 -1.26 -5.01 117.35 117.96 1fba s TYR 3 Ca -0.06 -0.32 -0.18 0.00 -0.37 0.00 0.00 57.07 56.14 1fba s TYR 3 Cb 0.12 -3.02 0.03 0.00 -0.40 0.00 0.00 41.96 38.69 1fba s TYR 3 CO 0.87 -0.75 0.71 -0.59 -1.57 0.00 0.00 175.55 174.21 1fba s PHE 4 N 2.30 0.00 -0.20 2.71 -0.71 -1.26 -5.15 117.98 115.66 1fba s PHE 4 Ca 0.14 -0.51 -0.03 0.00 -1.04 0.00 0.00 56.93 55.50 1fba s PHE 4 Cb -0.17 0.67 -0.01 0.00 -1.21 0.00 0.00 43.02 42.31 1fba s PHE 4 CO 0.15 -1.31 -0.07 -0.80 -1.34 0.00 0.00 175.22 171.84 1fba s ASN 5 N -2.99 4.12 0.65 1.98 0.01 -1.26 -5.10 114.94 112.35 1fba s ASN 5 Ca 0.14 -0.41 -0.16 0.00 -0.71 0.00 0.00 52.86 51.72 1fba s ASN 5 Cb -0.05 -1.69 -0.00 0.00 0.41 0.00 0.00 41.25 39.92 1fba s ASN 5 CO 0.09 0.01 1.15 -0.31 -1.51 0.00 0.00 177.10 176.53 1fba s TYR 6 N 1.29 2.44 0.86 2.20 2.02 -1.26 -5.00 117.35 119.89 1fba s TYR 6 Ca 0.03 1.56 -0.11 0.00 -0.37 0.00 0.00 57.07 58.18 1fba s TYR 6 Cb -0.14 -3.31 0.11 0.00 -0.40 0.00 0.00 41.96 38.22 1fba s TYR 6 CO -0.03 -2.00 1.16 -1.25 -1.57 0.00 0.00 175.55 171.86 1fba s PRO 7 N -3.81 1.37 0.76 -1.71 0.04 -1.26 -4.96 135.00 125.43 1fba s PRO 7 Ca 0.71 1.58 -0.14 0.00 0.04 0.00 0.00 61.00 63.19 1fba s PRO 7 Cb -0.25 -1.76 0.06 0.00 0.04 0.00 0.00 34.50 32.58 1fba s PRO 7 CO 0.39 -2.38 1.19 -1.54 0.04 0.00 0.00 177.00 174.70 1fba s SER 8 N -2.57 4.05 0.20 6.66 1.04 -1.26 -4.74 113.70 117.08 1fba s SER 8 Ca 0.68 2.29 -0.10 0.00 0.48 0.00 0.00 55.95 59.30 1fba s SER 8 Cb -0.24 -2.58 0.25 0.00 0.10 0.00 0.00 66.02 63.55 1fba s SER 8 CO 0.55 -2.36 1.76 0.50 0.98 0.00 0.00 173.24 174.67 1fba h LYS 9 N -0.58 0.45 -0.21 4.02 3.64 -1.99 0.35 116.57 122.25 1fba h LYS 9 Ca -0.47 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 58.83 1fba h LYS 9 Cb 1.29 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.99 1fba h LYS 9 CO 0.49 0.30 -0.10 0.93 -2.27 0.00 0.00 179.45 178.79 1fba h GLU 10 N 0.47 0.34 -0.14 1.90 3.07 -2.00 -0.22 114.58 118.00 1fba h GLU 10 Ca 0.29 -0.08 -0.22 0.00 -0.50 0.00 0.00 59.36 58.86 1fba h GLU 10 Cb 0.32 -0.05 0.01 0.00 -0.84 0.00 0.00 28.75 28.19 1fba h GLU 10 CO -0.26 0.45 -0.77 1.25 -1.40 0.00 0.00 179.01 178.28 1fba h LEU 11 N 0.32 0.92 -0.24 1.33 5.85 -1.69 -2.70 115.31 119.10 1fba h LEU 11 Ca 0.07 -0.64 0.04 0.00 0.84 0.00 0.00 57.88 58.19 1fba h LEU 11 Cb 0.39 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 1fba h LEU 11 CO 0.02 1.41 0.02 1.56 -0.34 0.00 0.00 178.44 181.11 1fba h GLN 12 N 0.49 0.09 -0.45 1.25 4.20 -0.32 -1.88 115.11 118.49 1fba h GLN 12 Ca -0.06 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 1fba h GLN 12 Cb 1.40 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 29.14 1fba h GLN 12 CO 0.16 0.06 0.23 -0.44 -0.67 0.00 0.00 178.83 178.17 1fba h ASP 13 N 0.10 0.58 -0.35 1.46 3.32 -1.11 -0.68 116.42 119.73 1fba h ASP 13 Ca 0.11 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 1fba h ASP 13 Cb 0.13 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 1fba h ASP 13 CO -0.18 0.52 0.19 -0.08 -1.72 0.00 0.00 179.24 177.98 1fba h GLU 14 N 0.59 0.49 -0.32 3.56 4.81 -1.37 -0.40 114.58 121.94 1fba h GLU 14 Ca 0.16 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 59.25 1fba h GLU 14 Cb 0.08 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 1fba h GLU 14 CO -0.02 0.41 -0.11 -0.07 -0.73 0.00 0.00 179.01 178.49 1fba h LEU 15 N 0.44 0.66 -0.38 1.64 3.38 -1.03 -1.89 115.31 118.13 1fba h LEU 15 Ca 0.12 -0.38 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 1fba h LEU 15 Cb 0.06 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1fba h LEU 15 CO -0.02 0.89 0.15 -0.09 0.09 0.00 0.00 178.44 179.45 1fba h ARG 16 N 0.42 0.57 -0.37 1.13 2.43 -1.06 -1.50 114.38 116.00 1fba h ARG 16 Ca 0.08 -0.11 0.03 0.00 -0.81 0.00 0.00 59.98 59.17 1fba h ARG 16 Cb 0.61 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.04 1fba h ARG 16 CO 0.04 0.56 0.17 1.49 -1.51 0.00 0.00 179.97 180.71 1fba h GLU 17 N 0.47 0.34 -0.14 0.20 4.81 -0.97 -0.43 114.58 118.86 1fba h GLU 17 Ca 0.13 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.36 1fba h GLU 17 Cb 0.20 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 1fba h GLU 17 CO -0.01 0.23 -0.02 0.82 -0.73 0.00 0.00 179.01 179.30 1fba h ILE 18 N 0.35 0.88 -0.79 2.32 2.04 -1.15 -1.99 117.51 119.17 1fba h ILE 18 Ca 0.16 -0.01 -0.02 0.00 1.00 0.00 0.00 64.86 65.99 1fba h ILE 18 Cb 0.09 0.85 -0.04 0.00 -0.74 0.00 0.00 36.82 36.98 1fba h ILE 18 CO -0.13 0.00 0.42 0.00 0.00 0.00 0.00 178.15 178.45 1fba h ALA 19 N 1.13 1.25 -0.82 1.87 0.00 -0.85 -2.10 119.26 119.75 1fba h ALA 19 Ca 0.07 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1fba h ALA 19 Cb 0.09 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 1fba h ALA 19 CO -0.13 0.60 0.38 1.96 0.00 0.00 0.00 179.25 182.05 1fba h GLN 20 N 1.11 1.19 -0.52 0.00 4.20 -0.93 -2.77 115.11 117.38 1fba h GLN 20 Ca 0.28 -0.19 -0.05 0.00 0.06 0.00 0.00 58.65 58.75 1fba h GLN 20 Cb 0.04 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.59 1fba h GLN 20 CO -0.04 0.93 0.12 0.87 -0.67 0.00 0.00 178.83 180.03 1fba h LYS 21 N 1.16 0.84 -0.76 1.46 1.57 -0.83 -2.65 116.57 117.36 1fba h LYS 21 Ca 0.28 -0.21 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1fba h LYS 21 Cb 0.14 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.31 1fba h LYS 21 CO -0.03 0.80 0.47 0.82 -0.57 0.00 0.00 179.45 180.94 1fba h ILE 22 N 0.73 1.21 -0.68 1.86 2.04 -1.13 -2.99 117.51 118.54 1fba h ILE 22 Ca 0.16 -0.44 -0.33 0.00 1.00 0.00 0.00 64.86 65.25 1fba h ILE 22 Cb 0.35 0.13 -0.20 0.00 -0.74 0.00 0.00 36.82 36.36 1fba h ILE 22 CO 0.00 0.21 0.29 1.33 0.00 0.00 0.00 178.15 179.99 1fba n VAL 23 N -4.39 2.88 -1.65 1.67 0.24 -1.08 -4.40 118.33 111.59 1fba n VAL 23 Ca 0.08 -2.23 -0.39 0.00 -2.04 0.00 0.00 64.34 59.76 1fba n VAL 23 Cb 0.06 -0.39 0.04 0.00 -1.47 0.00 0.00 33.84 32.08 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 -1.01 0.59 -1.62 2.33 0.00 -1.01 -4.82 120.51 114.98 1fba n ALA 24 Ca 0.46 0.10 -0.53 0.00 0.00 0.00 0.00 53.44 53.47 1fba n ALA 24 Cb 1.36 -2.17 -0.06 0.00 0.00 0.00 0.00 19.45 18.57 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 -0.72 1.22 -1.02 0.00 -0.02 -1.26 -1.07 135.00 132.13 1fba n PRO 25 Ca 0.12 0.44 -0.01 0.00 -2.02 0.00 0.00 63.50 62.03 1fba n PRO 25 Cb 0.45 -2.10 -0.00 0.00 -0.02 0.00 0.00 33.50 31.82 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 2.88 0.44 3.43 -1.23 0.00 -1.26 -5.03 105.19 104.41 1fba n GLY 26 Ca 0.20 -0.12 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.66 1.55 0.22 1.61 1.02 -0.23 -4.40 119.74 118.85 1fba s LYS 27 Ca 0.00 -1.62 -0.05 0.00 0.02 0.00 0.00 55.97 54.32 1fba s LYS 27 Cb 0.00 -1.73 0.02 0.00 -0.52 0.00 0.00 37.83 35.60 1fba s LYS 27 CO 0.00 0.35 0.38 0.41 -0.92 0.00 0.00 175.35 175.57 1fba n GLY 28 N -0.12 1.97 3.70 -3.33 0.00 -0.46 -4.62 105.19 102.32 1fba n GLY 28 Ca -0.09 -1.35 -0.35 0.00 0.00 0.00 0.00 46.02 44.23 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 -2.57 4.41 -0.28 -0.61 1.01 0.52 -1.49 121.20 122.18 1fba s ILE 29 Ca 0.14 -0.22 -0.15 0.00 0.00 0.00 0.00 60.65 60.41 1fba s ILE 29 Cb -0.02 -2.86 -0.03 0.00 0.01 0.00 0.00 42.46 39.56 1fba s ILE 29 CO 0.10 0.60 0.38 -0.22 0.00 0.00 0.00 174.94 175.80 1fba s LEU 30 N -0.92 4.11 -0.50 2.97 2.96 -0.77 -1.81 118.68 124.72 1fba s LEU 30 Ca 0.14 0.20 -0.18 0.00 -0.22 0.00 0.00 54.13 54.07 1fba s LEU 30 Cb -0.11 -2.43 0.06 0.00 0.50 0.00 0.00 46.19 44.21 1fba s LEU 30 CO 0.03 -0.22 0.56 0.00 -1.32 0.00 0.00 176.35 175.39 1fba s ALA 31 N 2.09 3.44 -0.26 5.97 0.00 0.12 -1.36 121.76 131.76 1fba s ALA 31 Ca 0.15 -1.86 0.09 0.00 0.00 0.00 0.00 51.96 50.33 1fba s ALA 31 Cb -0.16 -3.27 0.45 0.00 0.00 0.00 0.00 23.12 20.14 1fba s ALA 31 CO 0.10 -1.93 1.25 0.00 0.00 0.00 0.00 175.76 175.18 1fba n ALA 32 N 5.88 4.40 -0.77 0.00 0.00 -0.43 -4.18 120.51 125.41 1fba n ALA 32 Ca -0.08 -3.52 -0.06 0.00 0.00 0.00 0.00 53.44 49.78 1fba n ALA 32 Cb 0.45 -0.40 0.27 0.00 0.00 0.00 0.00 19.45 19.76 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 -0.93 4.47 -4.73 0.00 5.75 -0.99 -4.12 116.55 116.00 1fba n ASP 33 Ca 0.33 -3.07 -0.42 0.00 -0.01 0.00 0.00 54.79 51.62 1fba n ASP 33 Cb 0.84 -0.72 -0.03 0.00 -1.03 0.00 0.00 41.12 40.18 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 -2.67 4.23 0.91 0.11 8.01 -1.26 -4.48 118.70 123.55 1fba s GLU 34 Ca 0.48 2.34 -0.13 0.00 0.01 0.00 0.00 54.97 57.68 1fba s GLU 34 Cb 0.38 -3.14 0.14 0.00 -4.31 0.00 0.00 34.13 27.20 1fba s GLU 34 CO 0.12 -0.55 1.15 -1.54 0.01 0.00 0.00 175.26 174.45 1fba s SER 35 N 0.91 3.54 0.20 -0.19 1.04 -1.26 -4.67 113.70 113.27 1fba s SER 35 Ca 0.67 0.91 -0.19 0.00 0.48 0.00 0.00 55.95 57.81 1fba s SER 35 Cb -0.43 -1.45 0.16 0.00 0.10 0.00 0.00 66.02 64.41 1fba s SER 35 CO 0.35 -2.53 1.58 1.23 0.98 0.00 0.00 173.24 174.85 1fba h GLY 36 N -1.48 -0.02 0.95 7.32 0.00 -1.98 0.74 103.07 108.60 1fba h GLY 36 Ca -0.50 0.44 -0.00 0.00 0.00 0.00 0.00 47.33 47.27 1fba h GLY 36 CO 0.61 -0.21 0.12 -2.55 0.00 0.00 0.00 176.54 174.51 1fba h PRO 37 N -0.11 0.30 0.20 4.80 0.11 -1.98 0.05 132.00 135.37 1fba h PRO 37 Ca 0.27 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.34 1fba h PRO 37 Cb 0.56 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.61 1fba h PRO 37 CO -0.76 0.27 -0.10 1.15 -0.21 0.00 0.00 178.00 178.36 1fba h THR 38 N 0.25 0.88 -0.83 -1.15 2.02 -1.79 -2.25 112.91 110.04 1fba h THR 38 Ca 0.08 -0.44 0.16 0.00 0.77 0.00 0.00 66.41 66.98 1fba h THR 38 Cb 0.05 1.15 -0.06 0.00 -1.74 0.00 0.00 68.15 67.55 1fba h THR 38 CO -0.01 0.10 0.55 -0.03 0.37 0.00 0.00 175.52 176.50 1fba h MET 39 N -0.49 0.48 -0.77 6.66 -1.53 -0.87 -1.03 114.93 117.37 1fba h MET 39 Ca -0.03 -0.03 -0.02 0.00 -3.44 0.00 0.00 59.70 56.18 1fba h MET 39 Cb 0.37 -0.11 -0.04 0.00 -0.55 0.00 0.00 31.60 31.27 1fba h MET 39 CO 0.04 0.32 0.39 0.78 0.14 0.00 0.00 176.91 178.58 1fba h GLY 40 N 0.49 1.17 1.37 1.39 0.00 -0.42 -1.07 103.07 106.00 1fba h GLY 40 Ca 0.42 -0.55 -0.16 0.00 0.00 0.00 0.00 47.33 47.04 1fba h GLY 40 CO -0.16 0.53 -0.51 0.50 0.00 0.00 0.00 176.54 176.90 1fba h LYS 41 N 1.09 0.67 -0.19 4.80 1.57 -0.69 -2.12 116.57 121.70 1fba h LYS 41 Ca 0.27 -0.40 -0.17 0.00 -1.87 0.00 0.00 60.65 58.48 1fba h LYS 41 Cb 0.07 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.42 1fba h LYS 41 CO -0.04 1.02 -0.57 0.00 -0.57 0.00 0.00 179.45 179.29 1fba h ARG 42 N 0.52 0.60 -0.03 3.15 2.47 -1.11 -2.65 114.38 117.33 1fba h ARG 42 Ca 0.02 -0.39 -0.01 0.00 -1.26 0.00 0.00 59.98 58.34 1fba h ARG 42 Cb 1.06 0.05 -0.00 0.00 -1.65 0.00 0.00 29.97 29.43 1fba h ARG 42 CO 0.10 1.01 -0.01 -0.07 0.56 0.00 0.00 179.97 181.56 1fba h LEU 43 N 0.46 0.07 -1.23 3.04 3.38 -1.21 -3.14 115.31 116.67 1fba h LEU 43 Ca 0.00 -0.40 0.20 0.00 0.09 0.00 0.00 57.88 57.78 1fba h LEU 43 Cb 1.13 -0.02 -0.09 0.00 0.09 0.00 0.00 40.66 41.77 1fba h LEU 43 CO 0.11 0.45 0.62 -0.61 0.09 0.00 0.00 178.44 179.09 1fba h GLN 44 N -0.32 0.58 -0.58 1.13 -0.00 -0.85 0.11 115.11 115.18 1fba h GLN 44 Ca 0.01 -0.03 0.03 0.00 -0.00 0.00 0.00 58.65 58.65 1fba h GLN 44 Cb 0.42 -0.13 -0.03 0.00 0.00 0.00 0.00 27.48 27.74 1fba h GLN 44 CO 0.00 0.38 0.38 -0.44 0.00 0.00 0.00 178.83 179.16 1fba h ASP 45 N 0.60 0.60 -0.67 -0.69 3.32 -1.42 -0.86 116.42 117.30 1fba h ASP 45 Ca 0.54 -0.01 -0.22 0.00 0.02 0.00 0.00 57.03 57.36 1fba h ASP 45 Cb 1.06 -0.14 -0.13 0.00 0.22 0.00 0.00 39.33 40.34 1fba h ASP 45 CO -0.29 0.42 0.24 2.30 -1.72 0.00 0.00 179.24 180.19 1fba n ILE 46 N -4.46 2.86 -3.68 0.35 -5.35 0.19 -4.92 119.36 104.34 1fba n ILE 46 Ca 0.07 -1.82 -0.24 0.00 -0.27 0.00 0.00 62.75 60.49 1fba n ILE 46 Cb 0.12 -0.35 0.06 0.00 -1.74 0.00 0.00 39.64 37.72 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 -0.39 -0.46 3.41 3.28 0.00 -0.33 -4.66 105.19 106.04 1fba n GLY 47 Ca 0.40 0.19 -0.32 0.00 0.00 0.00 0.00 46.02 46.29 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 -3.38 2.65 0.11 1.61 1.01 -0.02 -4.97 120.40 117.41 1fba s VAL 48 Ca 0.41 -0.88 -0.29 0.00 0.00 0.00 0.00 61.98 61.22 1fba s VAL 48 Cb -0.19 -2.00 -0.06 0.00 0.00 0.00 0.00 36.38 34.13 1fba s VAL 48 CO 0.77 0.59 0.93 -0.70 0.00 0.00 0.00 175.10 176.69 1fba s GLU 49 N -0.67 4.68 -1.29 2.72 2.12 -1.26 -2.15 118.70 122.85 1fba s GLU 49 Ca 0.11 1.39 -0.18 0.00 0.36 0.00 0.00 54.97 56.65 1fba s GLU 49 Cb -0.10 -3.36 0.04 0.00 0.26 0.00 0.00 34.13 30.97 1fba s GLU 49 CO -0.00 0.26 1.81 -1.71 -0.54 0.00 0.00 175.26 175.07 1fba n ASN 50 N 2.66 4.58 -4.61 -1.70 5.15 -1.26 -4.72 115.26 115.36 1fba n ASN 50 Ca 0.01 -2.88 -0.27 0.00 -0.60 0.00 0.00 54.58 50.84 1fba n ASN 50 Cb 0.49 -1.73 -0.09 0.00 -0.53 0.00 0.00 39.78 37.92 1fba n ASN 50 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1fba s THR 51 N 5.02 3.46 0.38 -0.44 -4.23 -1.26 -5.02 115.64 113.55 1fba s THR 51 Ca 0.55 -1.50 0.06 0.00 -1.18 0.00 0.00 61.69 59.63 1fba s THR 51 Cb 0.04 -2.71 0.28 0.00 1.34 0.00 0.00 72.50 71.45 1fba s THR 51 CO 0.07 -0.08 2.00 -0.08 -0.54 0.00 0.00 174.62 176.00 1fba h GLU 52 N 2.91 0.66 -0.17 3.99 4.81 -1.99 -1.02 114.58 123.77 1fba h GLU 52 Ca -0.47 -0.04 -0.14 0.00 -0.13 0.00 0.00 59.36 58.58 1fba h GLU 52 Cb 1.20 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.42 1fba h GLU 52 CO 0.56 0.44 -0.50 0.22 -0.73 0.00 0.00 179.01 179.00 1fba h ASP 53 N 0.68 0.48 0.10 1.04 3.58 -1.95 0.11 116.42 120.46 1fba h ASP 53 Ca 0.24 -0.24 -0.14 0.00 0.42 0.00 0.00 57.03 57.31 1fba h ASP 53 Cb 0.11 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.01 1fba h ASP 53 CO -0.07 0.90 -0.50 0.78 -2.88 0.00 0.00 179.24 177.47 1fba h ASN 54 N 0.35 0.50 -0.47 2.28 2.35 -1.56 0.08 115.58 119.10 1fba h ASN 54 Ca 0.02 -0.25 -0.10 0.00 -0.55 0.00 0.00 56.30 55.41 1fba h ASN 54 Cb 1.00 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 39.21 1fba h ASN 54 CO 0.09 0.92 -0.10 0.03 -1.65 0.00 0.00 177.43 176.71 1fba h ARG 55 N 0.36 0.90 -0.53 0.81 3.08 -0.97 -1.55 114.38 116.49 1fba h ARG 55 Ca 0.02 -0.34 -0.04 0.00 0.07 0.00 0.00 59.98 59.69 1fba h ARG 55 Cb 1.01 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.98 1fba h ARG 55 CO 0.09 0.99 0.19 -0.09 -1.07 0.00 0.00 179.97 180.08 1fba h ARG 56 N 0.75 0.80 -0.09 0.04 2.43 -0.78 -0.92 114.38 116.61 1fba h ARG 56 Ca 0.12 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1fba h ARG 56 Cb 0.65 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 1fba h ARG 56 CO 0.04 0.72 0.05 0.00 -1.51 0.00 0.00 179.97 179.27 1fba h ALA 57 N 1.04 0.11 -0.67 2.80 0.00 -0.86 0.37 119.26 122.06 1fba h ALA 57 Ca 0.17 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1fba h ALA 57 Cb 0.24 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1fba h ALA 57 CO -0.01 -0.41 0.36 -0.92 0.00 0.00 0.00 179.25 178.26 1fba h TYR 58 N 0.10 0.93 0.00 0.00 3.20 -1.13 -1.77 116.97 118.31 1fba h TYR 58 Ca 0.04 -0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.81 1fba h TYR 58 Cb 0.00 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 37.97 1fba h TYR 58 CO -0.08 0.67 -0.33 0.00 -1.64 0.00 0.00 178.16 176.78 1fba h ARG 59 N 0.92 0.00 -0.43 1.82 -0.00 -0.78 -2.43 114.38 113.48 1fba h ARG 59 Ca 0.23 0.00 -0.11 0.00 -0.50 0.00 0.00 59.98 59.60 1fba h ARG 59 Cb 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.02 1fba h ARG 59 CO -0.04 0.33 -0.17 0.37 0.00 0.00 0.00 179.97 180.47 1fba h GLN 60 N 0.00 0.87 -0.01 0.04 4.15 0.36 -2.38 115.11 118.13 1fba h GLN 60 Ca -0.00 -0.36 0.03 0.00 0.77 0.00 0.00 58.65 59.08 1fba h GLN 60 Cb 0.71 -0.03 -0.04 0.00 0.21 0.00 0.00 27.48 28.33 1fba h GLN 60 CO 0.04 1.01 -0.22 1.25 -1.93 0.00 0.00 178.83 178.98 1fba h LEU 61 N 0.69 -0.64 -0.81 -2.39 6.46 -0.87 -1.51 115.31 116.25 1fba h LEU 61 Ca 0.10 0.09 0.01 0.00 -0.12 0.00 0.00 57.88 57.96 1fba h LEU 61 Cb 0.72 0.27 -0.04 0.00 -0.73 0.00 0.00 40.66 40.88 1fba h LEU 61 CO 0.05 -0.28 0.53 -0.07 -0.62 0.00 0.00 178.44 178.05 1fba h LEU 62 N -0.34 0.94 0.00 2.25 3.38 -1.42 -3.11 115.31 117.01 1fba h LEU 62 Ca 0.06 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1fba h LEU 62 Cb 0.42 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1fba h LEU 62 CO -0.21 0.69 -0.35 0.49 0.09 0.00 0.00 178.44 179.16 1fba n PHE 63 N -4.51 0.68 0.91 1.13 3.72 -0.90 -3.55 117.46 114.94 1fba n PHE 63 Ca 0.08 0.20 0.12 0.00 -0.05 0.00 0.00 57.45 57.80 1fba n PHE 63 Cb 0.02 -0.76 0.21 0.00 -0.94 0.00 0.00 39.48 38.01 1fba n PHE 63 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1fba n SER 64 N -2.14 2.83 -4.54 4.37 3.41 -0.59 -4.70 113.62 112.26 1fba n SER 64 Ca 0.04 -1.91 -0.38 0.00 -0.26 0.00 0.00 58.87 56.37 1fba n SER 64 Cb 0.43 -0.07 0.05 0.00 -0.26 0.00 0.00 64.21 64.36 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 1.16 2.97 -1.58 6.66 -1.04 -1.23 -4.84 114.28 116.38 1fba n THR 65 Ca 0.16 -0.49 -0.52 0.00 -2.04 0.00 0.00 64.05 61.16 1fba n THR 65 Cb 0.55 -0.91 -0.06 0.00 -1.82 0.00 0.00 70.33 68.09 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 -0.24 1.52 0.05 8.00 -0.08 -1.26 -4.76 116.55 119.78 1fba n ASP 66 Ca 0.13 1.12 0.02 0.00 -1.51 0.00 0.00 54.79 54.55 1fba n ASP 66 Cb 0.48 -1.17 0.09 0.00 2.34 0.00 0.00 41.12 42.85 1fba n ASP 66 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1fba n PRO 67 N 2.42 0.02 0.17 -0.67 -0.04 -1.26 -0.37 135.00 135.27 1fba n PRO 67 Ca 0.18 0.35 0.13 0.00 -0.04 0.00 0.00 63.50 64.13 1fba n PRO 67 Cb 0.19 -1.83 0.69 0.00 -0.04 0.00 0.00 33.50 32.51 1fba n PRO 67 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1fba h LYS 68 N 0.00 0.00 -0.95 0.54 3.64 -1.97 -1.88 116.57 115.95 1fba h LYS 68 Ca 0.00 0.00 0.21 0.00 -1.27 0.00 0.00 60.65 59.59 1fba h LYS 68 Cb 0.52 0.00 -0.12 0.00 -0.41 0.00 0.00 32.23 32.22 1fba h LYS 68 CO 0.00 0.00 0.51 1.25 -2.27 0.00 0.00 179.45 178.94 1fba h LEU 69 N 0.00 0.57 -2.42 5.20 5.85 -1.03 -0.84 115.31 122.64 1fba h LEU 69 Ca 0.09 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.94 1fba h LEU 69 Cb 0.38 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.46 1fba h LEU 69 CO -0.00 0.12 0.15 0.00 -0.34 0.00 0.00 178.44 178.37 1fba h ALA 70 N 1.69 1.15 -0.03 1.25 0.00 -1.54 0.29 119.26 122.07 1fba h ALA 70 Ca 0.58 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.41 1fba h ALA 70 Cb 1.04 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1fba h ALA 70 CO -0.46 -0.15 -0.38 0.93 0.00 0.00 0.00 179.25 179.19 1fba h GLU 71 N 0.00 0.05 0.00 0.00 5.08 -1.33 -3.33 114.58 115.06 1fba h GLU 71 Ca 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1fba h GLU 71 Cb 0.30 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1fba h GLU 71 CO 0.00 0.42 -0.94 0.09 -1.00 0.00 0.00 179.01 177.58 1fba n ASN 72 N -4.08 2.65 -4.25 1.42 3.02 -0.09 -4.56 115.26 109.36 1fba n ASN 72 Ca -0.02 -0.19 -0.36 0.00 -0.03 0.00 0.00 54.58 53.98 1fba n ASN 72 Cb 0.42 1.18 -0.13 0.00 -0.61 0.00 0.00 39.78 40.63 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 -2.11 3.34 -0.07 2.41 -1.09 -0.15 -1.35 121.20 122.18 1fba s ILE 73 Ca -0.01 -0.96 0.14 0.00 -2.23 0.00 0.00 60.65 57.59 1fba s ILE 73 Cb 0.04 -2.75 -0.18 0.00 -1.58 0.00 0.00 42.46 37.99 1fba s ILE 73 CO 0.23 0.09 0.80 0.77 -1.23 0.00 0.00 174.94 175.60 1fba h SER 74 N 8.10 0.00 -5.02 3.58 4.64 -1.51 -3.39 113.55 119.95 1fba h SER 74 Ca -0.30 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.98 1fba h SER 74 Cb 1.11 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.05 1fba h SER 74 CO 0.58 0.81 0.09 -0.83 -0.87 0.00 0.00 176.83 176.60 1fba s GLY 75 N -4.93 -0.47 -0.06 -0.77 0.00 -1.25 -0.80 107.32 99.04 1fba s GLY 75 Ca -0.03 0.49 0.03 0.00 0.00 0.00 0.00 44.72 45.20 1fba s GLY 75 CO 0.82 0.18 -0.14 0.14 0.00 0.00 0.00 173.10 174.10 1fba s VAL 76 N -3.06 1.22 -0.21 1.40 1.01 -0.21 -1.85 120.40 118.71 1fba s VAL 76 Ca -0.02 -0.55 -0.20 0.00 0.00 0.00 0.00 61.98 61.21 1fba s VAL 76 Cb -0.00 -1.10 -0.03 0.00 0.00 0.00 0.00 36.38 35.25 1fba s VAL 76 CO -0.07 0.37 0.59 -0.63 0.00 0.00 0.00 175.10 175.37 1fba s ILE 77 N 0.50 5.04 0.10 2.22 1.01 -0.47 -0.53 121.20 129.07 1fba s ILE 77 Ca -0.12 1.10 0.03 0.00 0.00 0.00 0.00 60.65 61.65 1fba s ILE 77 Cb -0.15 -3.91 -0.04 0.00 0.01 0.00 0.00 42.46 38.38 1fba s ILE 77 CO 0.04 0.11 0.12 -0.76 0.00 0.00 0.00 174.94 174.45 1fba s LEU 78 N 1.96 3.90 0.01 2.97 1.43 -0.04 -1.32 118.68 127.59 1fba s LEU 78 Ca 0.27 0.01 -0.16 0.00 -1.03 0.00 0.00 54.13 53.21 1fba s LEU 78 Cb -0.16 -2.55 -0.06 0.00 0.03 0.00 0.00 46.19 43.46 1fba s LEU 78 CO 0.10 0.14 0.46 0.12 0.23 0.00 0.00 176.35 177.40 1fba s PHE 79 N -1.50 3.73 0.13 0.29 5.36 -1.26 -1.92 117.98 122.81 1fba s PHE 79 Ca 0.31 1.06 -0.11 0.00 -0.96 0.00 0.00 56.93 57.22 1fba s PHE 79 Cb -0.12 -2.37 0.11 0.00 -0.34 0.00 0.00 43.02 40.31 1fba s PHE 79 CO 0.23 0.59 0.91 1.58 -1.46 0.00 0.00 175.22 177.07 1fba n HIS 80 N 1.97 -0.02 -0.21 10.12 -0.00 -1.26 -0.68 115.22 125.13 1fba n HIS 80 Ca -0.12 0.72 -0.04 0.00 -0.00 0.00 0.00 57.72 58.28 1fba n HIS 80 Cb 0.52 -0.69 0.06 0.00 -0.00 0.00 0.00 29.99 29.88 1fba n HIS 80 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 176.34 177.39 1fba h GLU 81 N 0.00 0.68 -0.32 1.57 4.11 -1.98 -2.59 114.58 116.06 1fba h GLU 81 Ca 0.19 -0.04 -0.03 0.00 0.07 0.00 0.00 59.36 59.55 1fba h GLU 81 Cb 0.33 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 1fba h GLU 81 CO -0.58 0.45 0.07 1.15 0.07 0.00 0.00 179.01 180.17 1fba h THR 82 N 0.70 1.16 -0.03 -1.06 2.02 -1.31 -2.01 112.91 112.38 1fba h THR 82 Ca 0.25 -0.55 0.01 0.00 0.77 0.00 0.00 66.41 66.88 1fba h THR 82 Cb 0.06 0.85 -0.00 0.00 -1.74 0.00 0.00 68.15 67.31 1fba h THR 82 CO -0.12 0.20 0.07 0.25 0.37 0.00 0.00 175.52 176.29 1fba h LEU 83 N 0.45 0.00 -2.54 2.58 5.85 -1.34 -1.62 115.31 118.69 1fba h LEU 83 Ca 0.11 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.83 1fba h LEU 83 Cb 0.19 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.22 1fba h LEU 83 CO -0.00 0.00 0.00 -1.22 -0.34 0.00 0.00 178.44 176.88 1fba n TYR 84 N -3.41 0.33 -2.35 1.25 4.01 -0.76 -4.61 117.16 111.61 1fba n TYR 84 Ca -0.02 -0.38 -0.26 0.00 -0.16 0.00 0.00 57.90 57.08 1fba n TYR 84 Cb 0.15 -0.02 0.04 0.00 -0.31 0.00 0.00 39.34 39.20 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 -0.97 2.66 0.07 -0.72 -0.21 -0.61 -4.97 119.66 114.92 1fba s GLN 85 Ca 0.19 -0.13 0.03 0.00 0.02 0.00 0.00 55.36 55.46 1fba s GLN 85 Cb 0.11 -2.25 -0.03 0.00 1.00 0.00 0.00 33.01 31.83 1fba s GLN 85 CO 0.14 -0.87 -0.08 0.15 -2.12 0.00 0.00 175.29 172.50 1fba s LYS 86 N -5.06 0.71 0.76 2.91 1.02 -1.26 -1.75 119.74 117.07 1fba s LYS 86 Ca 0.56 -1.03 -0.11 0.00 0.02 0.00 0.00 55.97 55.40 1fba s LYS 86 Cb -0.11 -0.36 0.04 0.00 -0.52 0.00 0.00 37.83 36.89 1fba s LYS 86 CO 0.45 0.05 1.09 0.00 -0.92 0.00 0.00 175.35 176.01 1fba s ALA 87 N -2.28 2.51 0.32 5.17 0.00 0.35 -4.86 121.76 122.98 1fba s ALA 87 Ca 0.01 -0.22 0.10 0.00 0.00 0.00 0.00 51.96 51.84 1fba s ALA 87 Cb -0.04 -3.09 0.92 0.00 0.00 0.00 0.00 23.12 20.91 1fba s ALA 87 CO -0.01 -1.47 1.68 -0.44 0.00 0.00 0.00 175.76 175.52 1fba h ASP 88 N -0.90 0.44 0.33 0.00 3.32 -1.98 0.50 116.42 118.12 1fba h ASP 88 Ca -0.46 0.17 0.00 0.00 0.02 0.00 0.00 57.03 56.76 1fba h ASP 88 Cb 1.26 0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.94 1fba h ASP 88 CO 0.61 -0.06 0.00 -0.90 -1.72 0.00 0.00 179.24 177.17 1fba n ASP 89 N -5.04 0.00 0.00 6.45 5.68 -1.26 -4.89 116.55 117.49 1fba n ASP 89 Ca 0.27 -0.46 0.00 0.00 -0.50 0.00 0.00 54.79 54.11 1fba n ASP 89 Cb 0.82 -0.17 0.00 0.00 -1.14 0.00 0.00 41.12 40.63 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 1.07 0.68 3.71 6.12 0.00 0.17 -5.06 105.19 111.88 1fba n GLY 90 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.39 4.78 0.23 2.61 2.01 -1.24 -4.65 115.64 116.98 1fba s THR 91 Ca 0.00 1.99 -0.31 0.00 0.31 0.00 0.00 61.69 63.68 1fba s THR 91 Cb 0.00 -4.28 -0.11 0.00 0.01 0.00 0.00 72.50 68.12 1fba s THR 91 CO 0.00 0.15 1.61 -2.84 -0.69 0.00 0.00 174.62 172.85 1fba s PRO 92 N 1.05 4.16 0.31 4.92 0.02 -1.26 0.13 135.00 144.33 1fba s PRO 92 Ca 0.53 2.51 0.07 0.00 0.02 0.00 0.00 61.00 64.13 1fba s PRO 92 Cb -0.22 -3.08 0.81 0.00 0.02 0.00 0.00 34.50 32.03 1fba s PRO 92 CO 0.28 -0.64 1.74 0.74 -0.33 0.00 0.00 177.00 178.79 1fba h PHE 93 N 5.97 0.99 -0.65 6.54 0.04 -1.65 -0.84 116.94 127.34 1fba h PHE 93 Ca -0.45 0.04 -0.03 0.00 2.80 0.00 0.00 57.97 60.33 1fba h PHE 93 Cb 1.21 -0.29 -0.03 0.00 2.20 0.00 0.00 35.95 39.04 1fba h PHE 93 CO 0.62 0.11 0.28 0.00 -0.60 0.00 0.00 178.31 178.72 1fba h ALA 94 N 1.70 1.26 -0.15 2.45 0.00 -1.81 -1.75 119.26 120.95 1fba h ALA 94 Ca 0.61 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 55.30 1fba h ALA 94 Cb 1.08 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 1fba h ALA 94 CO -0.45 0.55 -0.15 1.49 0.00 0.00 0.00 179.25 180.70 1fba h GLU 95 N 0.93 0.36 -0.13 0.00 4.81 -1.56 -1.68 114.58 117.32 1fba h GLU 95 Ca 0.22 -0.19 0.04 0.00 -0.13 0.00 0.00 59.36 59.30 1fba h GLU 95 Cb 0.15 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.49 1fba h GLU 95 CO -0.02 0.74 -0.14 0.82 -0.73 0.00 0.00 179.01 179.68 1fba h ILE 96 N -0.00 0.61 0.01 2.32 2.04 -0.94 0.10 117.51 121.65 1fba h ILE 96 Ca 0.02 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.88 1fba h ILE 96 Cb 0.68 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 37.37 1fba h ILE 96 CO 0.04 0.00 -0.00 -0.07 0.00 0.00 0.00 178.15 178.11 1fba h LEU 97 N -0.17 -0.01 -1.34 1.44 3.38 -1.39 -2.81 115.31 114.40 1fba h LEU 97 Ca 0.09 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 1fba h LEU 97 Cb 0.31 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1fba h LEU 97 CO -0.23 0.14 -0.21 0.11 0.09 0.00 0.00 178.44 178.33 1fba h LYS 98 N -0.16 0.17 -0.72 1.13 1.57 -1.05 -1.32 116.57 116.20 1fba h LYS 98 Ca -0.00 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 1fba h LYS 98 Cb 0.16 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.41 1fba h LYS 98 CO 0.00 0.39 0.35 0.87 -0.57 0.00 0.00 179.45 180.49 1fba h LYS 99 N 0.16 1.02 0.00 3.15 1.79 -0.70 -1.77 116.57 120.22 1fba h LYS 99 Ca 0.03 -0.14 0.00 0.00 -2.18 0.00 0.00 60.65 58.36 1fba h LYS 99 Cb 0.48 -0.19 0.00 0.00 -1.58 0.00 0.00 32.23 30.94 1fba h LYS 99 CO 0.03 0.78 0.00 1.63 -1.08 0.00 0.00 179.45 180.82 1fba n LYS 100 N -4.33 0.76 -0.92 3.15 5.02 -0.54 -4.88 118.16 116.42 1fba n LYS 100 Ca 0.07 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 1fba n LYS 100 Cb 0.13 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.64 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 0.78 0.44 3.79 0.72 0.00 -0.67 -4.78 105.19 105.47 1fba n GLY 101 Ca 0.19 -0.95 -0.38 0.00 0.00 0.00 0.00 46.02 44.88 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 -2.00 5.15 0.17 -0.61 1.01 -0.94 -4.96 121.20 119.03 1fba s ILE 102 Ca 0.00 0.76 -0.23 0.00 0.00 0.00 0.00 60.65 61.18 1fba s ILE 102 Cb 0.00 -3.69 -0.08 0.00 0.01 0.00 0.00 42.46 38.70 1fba s ILE 102 CO 0.00 0.49 0.74 -0.63 0.00 0.00 0.00 174.94 175.54 1fba s ILE 103 N -0.39 4.46 -0.13 2.92 1.01 0.02 -3.95 121.20 125.14 1fba s ILE 103 Ca 0.22 1.54 -0.09 0.00 0.00 0.00 0.00 60.65 62.32 1fba s ILE 103 Cb -0.15 -4.03 -0.04 0.00 0.01 0.00 0.00 42.46 38.24 1fba s ILE 103 CO 0.10 0.44 0.17 -0.76 0.00 0.00 0.00 174.94 174.89 1fba s LEU 104 N -1.38 4.35 0.23 2.97 1.43 -1.26 -1.04 118.68 123.98 1fba s LEU 104 Ca 0.37 0.46 0.09 0.00 -1.03 0.00 0.00 54.13 54.02 1fba s LEU 104 Cb -0.21 -2.14 -0.05 0.00 0.03 0.00 0.00 46.19 43.82 1fba s LEU 104 CO 0.24 0.33 -0.16 -0.83 0.23 0.00 0.00 176.35 176.16 1fba s GLY 105 N -0.62 1.60 -0.03 -3.19 0.00 0.31 -0.91 107.32 104.49 1fba s GLY 105 Ca 0.14 -1.75 -0.01 0.00 0.00 0.00 0.00 44.72 43.11 1fba s GLY 105 CO 0.03 -1.83 0.05 -1.50 0.00 0.00 0.00 173.10 169.86 1fba s ILE 106 N -2.82 -0.04 -0.13 0.90 1.10 -0.87 -0.86 121.20 118.48 1fba s ILE 106 Ca 0.25 0.14 -0.29 0.00 -0.51 0.00 0.00 60.65 60.24 1fba s ILE 106 Cb -0.02 -0.10 -0.02 0.00 0.15 0.00 0.00 42.46 42.47 1fba s ILE 106 CO 0.10 0.06 1.20 -0.75 -2.11 0.00 0.00 174.94 173.44 1fba s LYS 107 N 0.76 4.28 0.00 3.50 2.20 -0.81 -1.55 119.74 128.13 1fba s LYS 107 Ca -0.06 1.62 0.06 0.00 -0.36 0.00 0.00 55.97 57.22 1fba s LYS 107 Cb -0.09 -3.67 -0.02 0.00 -1.51 0.00 0.00 37.83 32.54 1fba s LYS 107 CO -0.03 -0.59 0.38 1.33 -0.36 0.00 0.00 175.35 176.08 1fba n VAL 108 N 5.08 0.00 -1.68 4.02 0.24 -0.35 -4.71 118.33 120.93 1fba n VAL 108 Ca 0.12 -0.42 -0.30 0.00 -2.04 0.00 0.00 64.34 61.71 1fba n VAL 108 Cb 0.46 1.04 0.06 0.00 -1.47 0.00 0.00 33.84 33.93 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 -1.17 5.15 -0.29 -1.34 1.47 -1.24 -4.86 116.67 114.38 1fba s ASP 109 Ca 0.04 1.34 0.08 0.00 1.18 0.00 0.00 52.55 55.20 1fba s ASP 109 Cb 0.04 -2.16 0.47 0.00 -0.34 0.00 0.00 42.92 40.93 1fba s ASP 109 CO 0.17 -1.56 1.37 0.29 0.68 0.00 0.00 175.17 176.12 1fba n LYS 110 N -3.17 2.13 0.00 2.11 5.02 0.88 -4.96 118.16 120.17 1fba n LYS 110 Ca 0.07 -3.42 0.00 0.00 -2.02 0.00 0.00 58.31 52.94 1fba n LYS 110 Cb 0.56 -1.87 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 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 -1.04 -2.53 3.91 0.72 0.00 -1.25 -4.71 105.19 100.28 1fba n GLY 111 Ca 0.32 -1.62 -0.29 0.00 0.00 0.00 0.00 46.02 44.43 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 -0.86 5.09 0.02 1.61 -7.23 -1.26 -1.24 120.40 116.53 1fba s VAL 112 Ca 0.00 -0.03 0.01 0.00 -1.81 0.00 0.00 61.98 60.16 1fba s VAL 112 Cb 0.00 -3.70 -0.02 0.00 0.56 0.00 0.00 36.38 33.23 1fba s VAL 112 CO 0.00 -0.18 -0.05 0.68 -0.31 0.00 0.00 175.10 175.24 1fba s VAL 113 N -1.91 0.33 0.34 1.32 -7.23 0.63 -4.81 120.40 109.07 1fba s VAL 113 Ca 0.42 -0.70 -0.27 0.00 -1.81 0.00 0.00 61.98 59.61 1fba s VAL 113 Cb -0.11 -0.38 -0.09 0.00 0.56 0.00 0.00 36.38 36.35 1fba s VAL 113 CO 0.28 -0.25 1.16 -2.16 -0.31 0.00 0.00 175.10 173.81 1fba s PRO 114 N -1.02 4.35 -0.43 4.82 0.04 -1.26 -1.33 135.00 140.17 1fba s PRO 114 Ca -0.08 1.86 -0.23 0.00 0.04 0.00 0.00 61.00 62.60 1fba s PRO 114 Cb -0.07 -2.94 0.02 0.00 0.04 0.00 0.00 34.50 31.56 1fba s PRO 114 CO -0.00 -0.07 0.80 -0.51 0.04 0.00 0.00 177.00 177.26 1fba s LEU 115 N -1.97 4.19 0.21 -3.56 1.43 -0.09 -4.85 118.68 114.04 1fba s LEU 115 Ca 0.51 0.02 -0.31 0.00 -1.03 0.00 0.00 54.13 53.32 1fba s LEU 115 Cb -0.32 -3.00 -0.11 0.00 0.03 0.00 0.00 46.19 42.79 1fba s LEU 115 CO 0.41 -0.89 1.61 0.12 0.23 0.00 0.00 176.35 177.83 1fba s PHE 116 N 3.30 2.96 0.00 0.29 5.36 -1.26 -1.53 117.98 127.09 1fba s PHE 116 Ca 0.31 0.61 0.00 0.00 -0.96 0.00 0.00 56.93 56.89 1fba s PHE 116 Cb -0.12 -4.01 0.00 0.00 -0.34 0.00 0.00 43.02 38.55 1fba s PHE 116 CO 0.22 -3.65 0.00 0.41 -1.46 0.00 0.00 175.22 170.74 1fba n GLY 117 N 3.37 2.18 3.86 13.12 0.00 -1.26 -5.04 105.19 121.42 1fba n GLY 117 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.74 5.58 -1.38 1.61 1.04 -0.59 -4.94 113.70 112.29 1fba s SER 118 Ca 0.00 1.29 -0.14 0.00 0.48 0.00 0.00 55.95 57.59 1fba s SER 118 Cb 0.00 -2.18 0.08 0.00 0.10 0.00 0.00 66.02 64.02 1fba s SER 118 CO 0.00 -1.27 2.03 -0.62 0.98 0.00 0.00 173.24 174.36 1fba n GLU 119 N -2.99 3.10 -3.65 4.02 1.02 -1.26 -4.52 120.64 116.36 1fba n GLU 119 Ca 0.07 -2.98 -0.24 0.00 -0.02 0.00 0.00 57.16 53.98 1fba n GLU 119 Cb 0.56 -3.23 0.07 0.00 -0.02 0.00 0.00 31.44 28.81 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 5.97 -5.23 -4.87 1.62 9.92 -1.26 -4.98 116.55 117.72 1fba n ASP 120 Ca 0.48 -0.62 -0.21 0.00 -0.53 0.00 0.00 54.79 53.91 1fba n ASP 120 Cb 0.40 -4.76 -0.03 0.00 -0.64 0.00 0.00 41.12 36.09 1fba n ASP 120 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1fba s GLU 121 N -6.24 2.88 0.22 -1.24 2.02 -1.26 -5.02 118.70 110.05 1fba s GLU 121 Ca 0.50 -1.15 0.01 0.00 0.02 0.00 0.00 54.97 54.35 1fba s GLU 121 Cb -0.23 -2.57 -0.05 0.00 0.10 0.00 0.00 34.13 31.39 1fba s GLU 121 CO 0.76 0.21 0.06 0.14 0.02 0.00 0.00 175.26 176.44 1fba s VAL 122 N -2.22 0.59 0.30 2.63 -7.23 -1.26 -0.92 120.40 112.30 1fba s VAL 122 Ca 0.38 -1.99 0.03 0.00 -1.81 0.00 0.00 61.98 58.59 1fba s VAL 122 Cb -0.07 -2.43 -0.04 0.00 0.56 0.00 0.00 36.38 34.40 1fba s VAL 122 CO 0.27 -0.19 0.13 0.28 -0.31 0.00 0.00 175.10 175.28 1fba s THR 123 N -3.73 0.47 -0.06 5.32 -1.32 -0.44 -4.85 115.64 111.03 1fba s THR 123 Ca 0.32 -2.00 0.02 0.00 -1.21 0.00 0.00 61.69 58.82 1fba s THR 123 Cb 0.07 -2.55 -0.03 0.00 -1.51 0.00 0.00 72.50 68.48 1fba s THR 123 CO 0.10 0.00 -0.10 -0.89 -2.21 0.00 0.00 174.62 171.52 1fba s THR 124 N -3.59 3.43 0.38 5.08 2.01 -1.26 -0.27 115.64 121.42 1fba s THR 124 Ca 0.35 -0.59 0.08 0.00 0.31 0.00 0.00 61.69 61.84 1fba s THR 124 Cb 0.06 -2.38 -0.03 0.00 0.01 0.00 0.00 72.50 70.16 1fba s THR 124 CO 0.16 0.59 0.30 0.00 -0.69 0.00 0.00 174.62 174.99 1fba s GLN 125 N -0.79 2.55 0.00 4.92 -2.07 -0.37 -4.91 119.66 118.99 1fba s GLN 125 Ca 0.12 -1.49 0.00 0.00 -1.82 0.00 0.00 55.36 52.17 1fba s GLN 125 Cb -0.11 -2.35 0.00 0.00 -1.09 0.00 0.00 33.01 29.46 1fba s GLN 125 CO 0.01 -0.05 0.00 0.41 -1.32 0.00 0.00 175.29 174.34 1fba n GLY 126 N -1.41 0.72 0.20 2.60 0.00 -1.26 -0.09 105.19 105.96 1fba n GLY 126 Ca 0.01 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.11 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 -9.51 0.99 3.38 -1.90 -3.42 115.31 104.85 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 0.27 1.07 -1.81 0.09 0.00 0.00 178.44 178.06 1fba s ASP 128 N -6.25 6.47 -1.55 -0.43 1.01 -1.26 -1.44 116.67 113.22 1fba s ASP 128 Ca 0.02 2.70 0.00 0.00 0.71 0.00 0.00 52.55 55.98 1fba s ASP 128 Cb 0.09 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.45 1fba s ASP 128 CO 0.66 -0.97 0.00 0.47 0.21 0.00 0.00 175.17 175.54 1fba n ASP 129 N 5.47 -4.53 -0.25 0.27 8.00 -1.26 -4.88 116.55 119.37 1fba n ASP 129 Ca 0.17 0.25 -0.01 0.00 0.71 0.00 0.00 54.79 55.91 1fba n ASP 129 Cb 0.38 -3.95 0.19 0.00 -0.02 0.00 0.00 41.12 37.72 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 0.00 0.95 -0.61 0.64 5.85 -1.49 -2.23 115.31 118.42 1fba h LEU 130 Ca -0.36 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.31 1fba h LEU 130 Cb 1.17 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.93 1fba h LEU 130 CO 0.47 0.73 0.39 0.00 -0.34 0.00 0.00 178.44 179.68 1fba h ALA 131 N 1.44 0.77 -0.47 1.25 0.00 -1.89 0.97 119.26 121.32 1fba h ALA 131 Ca 0.29 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 1fba h ALA 131 Cb -0.05 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1fba h ALA 131 CO -0.05 0.22 -0.03 0.00 0.00 0.00 0.00 179.25 179.39 1fba h ALA 132 N 1.21 0.64 -0.08 0.00 0.00 -1.88 -1.45 119.26 117.70 1fba h ALA 132 Ca 0.22 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1fba h ALA 132 Cb -0.07 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 1fba h ALA 132 CO -0.05 0.47 0.05 0.00 0.00 0.00 0.00 179.25 179.72 1fba h ARG 133 N 0.70 0.11 -0.78 0.00 3.08 -1.04 -2.70 114.38 113.74 1fba h ARG 133 Ca 0.13 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.19 1fba h ARG 133 Cb 0.55 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.53 1fba h ARG 133 CO 0.03 0.07 0.51 0.00 -1.07 0.00 0.00 179.97 179.51 1fba h ALA 135 N 1.31 1.52 -0.04 0.00 0.00 -1.09 0.30 119.26 121.26 1fba h ALA 135 Ca 0.30 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 55.06 1fba h ALA 135 Cb -0.06 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 17.46 1fba h ALA 135 CO -0.09 0.40 -0.43 0.37 0.00 0.00 0.00 179.25 179.51 1fba h GLN 136 N 0.99 0.36 -0.99 0.00 5.75 -1.11 -2.74 115.11 117.36 1fba h GLN 136 Ca 0.32 -0.33 0.04 0.00 -0.15 0.00 0.00 58.65 58.53 1fba h GLN 136 Cb 0.04 0.08 -0.06 0.00 1.07 0.00 0.00 27.48 28.62 1fba h GLN 136 CO -0.09 1.00 0.65 1.88 -2.65 0.00 0.00 178.83 179.61 1fba h TYR 137 N -0.16 1.20 -0.39 3.99 0.05 -0.63 -0.24 116.97 120.80 1fba h TYR 137 Ca -0.04 0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.74 1fba h TYR 137 Cb 1.11 -0.40 -0.02 0.00 1.01 0.00 0.00 36.73 38.44 1fba h TYR 137 CO 0.14 0.68 0.12 -0.22 -1.05 0.00 0.00 178.16 177.83 1fba h LYS 138 N 1.22 0.60 -0.90 4.88 1.63 -0.98 -1.05 116.57 121.98 1fba h LYS 138 Ca 0.40 -0.13 0.02 0.00 -0.85 0.00 0.00 60.65 60.10 1fba h LYS 138 Cb 0.05 -0.09 -0.05 0.00 -0.60 0.00 0.00 32.23 31.54 1fba h LYS 138 CO -0.13 0.61 0.59 -0.22 -3.45 0.00 0.00 179.45 176.85 1fba h LYS 139 N 0.48 1.14 -0.02 1.90 3.64 -1.07 -2.13 116.57 120.52 1fba h LYS 139 Ca 0.13 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1fba h LYS 139 Cb 0.26 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1fba h LYS 139 CO -0.00 0.75 0.00 -0.25 -2.27 0.00 0.00 179.45 177.68 1fba n ASP 140 N -4.49 0.18 0.00 4.20 8.00 -0.17 -4.89 116.55 119.38 1fba n ASP 140 Ca 0.11 -1.48 0.00 0.00 0.71 0.00 0.00 54.79 54.13 1fba n ASP 140 Cb 0.06 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.15 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 0.81 1.03 3.85 0.44 0.00 -0.80 -5.04 105.19 105.49 1fba n GLY 141 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 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 0.78 0.58 -4.16 0.00 8.00 -0.09 -4.12 116.55 117.54 1fba n ASP 143 Ca -0.06 -0.24 -0.10 0.00 0.71 0.00 0.00 54.79 55.10 1fba n ASP 143 Cb 0.52 0.60 -0.10 0.00 -0.02 0.00 0.00 41.12 42.12 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 -0.71 0.85 0.19 1.24 -0.71 -1.21 -1.48 117.98 116.15 1fba s PHE 144 Ca 0.00 -1.10 0.03 0.00 -1.04 0.00 0.00 56.93 54.81 1fba s PHE 144 Cb 0.00 -0.51 -0.05 0.00 -1.21 0.00 0.00 43.02 41.26 1fba s PHE 144 CO 0.00 -0.37 -0.01 0.00 -1.34 0.00 0.00 175.22 173.50 1fba s ALA 145 N -3.87 1.51 -0.01 1.99 0.00 0.73 -2.06 121.76 120.05 1fba s ALA 145 Ca 0.18 -1.63 0.04 0.00 0.00 0.00 0.00 51.96 50.55 1fba s ALA 145 Cb 0.07 0.46 -0.01 0.00 0.00 0.00 0.00 23.12 23.64 1fba s ALA 145 CO -0.02 -0.27 -0.13 0.21 0.00 0.00 0.00 175.76 175.55 1fba s LYS 146 N -3.88 1.07 -0.18 0.00 2.20 -0.59 -1.06 119.74 117.30 1fba s LYS 146 Ca 0.24 -0.48 -0.07 0.00 -0.36 0.00 0.00 55.97 55.31 1fba s LYS 146 Cb 0.05 -1.04 0.08 0.00 -1.51 0.00 0.00 37.83 35.42 1fba s LYS 146 CO 0.05 0.28 0.39 -0.46 -0.36 0.00 0.00 175.35 175.26 1fba s TRP 147 N -0.32 -0.71 -0.20 4.03 -0.11 -1.25 -1.21 118.94 119.17 1fba s TRP 147 Ca 0.05 1.40 -0.06 0.00 1.22 0.00 0.00 56.10 58.71 1fba s TRP 147 Cb -0.05 0.25 -0.03 0.00 -1.50 0.00 0.00 33.47 32.14 1fba s TRP 147 CO -0.00 -0.44 0.02 0.50 -4.62 0.00 0.00 176.95 172.40 1fba s ARG 148 N 2.37 3.69 0.05 5.86 3.52 -1.26 -3.50 118.95 129.68 1fba s ARG 148 Ca -0.03 -0.49 0.02 0.00 -0.13 0.00 0.00 55.73 55.11 1fba s ARG 148 Cb -0.11 -3.12 -0.04 0.00 -1.56 0.00 0.00 34.95 30.12 1fba s ARG 148 CO -0.12 0.05 0.08 0.00 -0.81 0.00 0.00 175.30 174.50 1fba s VAL 150 N -1.33 1.69 -0.03 0.00 1.01 -1.26 -1.21 120.40 119.28 1fba s VAL 150 Ca 0.27 -0.73 0.04 0.00 0.00 0.00 0.00 61.98 61.56 1fba s VAL 150 Cb -0.12 -1.55 -0.03 0.00 0.00 0.00 0.00 36.38 34.68 1fba s VAL 150 CO 0.20 0.48 -0.14 -0.76 0.00 0.00 0.00 175.10 174.88 1fba s LEU 151 N 1.21 2.79 -0.11 3.92 1.43 0.49 -4.65 118.68 123.77 1fba s LEU 151 Ca -0.00 -0.22 0.02 0.00 -1.03 0.00 0.00 54.13 52.90 1fba s LEU 151 Cb -0.14 -1.59 -0.01 0.00 0.03 0.00 0.00 46.19 44.48 1fba s LEU 151 CO -0.07 0.32 -0.19 -0.75 0.23 0.00 0.00 176.35 175.90 1fba s LYS 152 N -0.95 3.15 -0.27 1.70 2.20 -1.26 -1.08 119.74 123.23 1fba s LYS 152 Ca 0.13 -0.78 -0.19 0.00 -0.36 0.00 0.00 55.97 54.76 1fba s LYS 152 Cb -0.11 -2.45 -0.02 0.00 -1.51 0.00 0.00 37.83 33.75 1fba s LYS 152 CO 0.02 0.23 0.57 0.42 -0.36 0.00 0.00 175.35 176.24 1fba s ILE 153 N 0.26 5.01 0.00 5.43 1.01 -1.26 -2.22 121.20 129.44 1fba s ILE 153 Ca -0.13 0.93 0.00 0.00 0.00 0.00 0.00 60.65 61.45 1fba s ILE 153 Cb -0.16 -3.90 0.00 0.00 0.01 0.00 0.00 42.46 38.40 1fba s ILE 153 CO 0.07 0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.62 1fba n GLY 154 N 4.35 3.66 0.34 6.18 0.00 -0.29 -4.81 105.19 114.61 1fba n GLY 154 Ca -0.02 -1.35 -0.09 0.00 0.00 0.00 0.00 46.02 44.55 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 -0.33 -0.16 1.61 3.11 -2.00 -3.13 116.57 115.68 1fba h LYS 155 Ca 0.00 0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.86 1fba h LYS 155 Cb 0.00 0.07 0.00 0.00 -1.00 0.00 0.00 32.23 31.30 1fba h LYS 155 CO 0.00 -0.22 0.00 0.09 -2.81 0.00 0.00 179.45 176.51 1fba n ASN 156 N -5.41 2.37 -4.45 4.20 3.02 -1.26 -5.04 115.26 108.70 1fba n ASN 156 Ca -0.01 -1.94 -0.28 0.00 -0.03 0.00 0.00 54.58 52.31 1fba n ASN 156 Cb 0.33 -0.10 -0.12 0.00 -0.61 0.00 0.00 39.78 39.28 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 -0.96 2.55 0.28 3.41 -4.23 -1.18 -3.72 115.64 111.79 1fba s THR 157 Ca 0.11 -1.74 -0.29 0.00 -1.18 0.00 0.00 61.69 58.59 1fba s THR 157 Cb 0.06 -2.18 -0.10 0.00 1.34 0.00 0.00 72.50 71.62 1fba s THR 157 CO 0.08 0.02 1.19 -2.84 -0.54 0.00 0.00 174.62 172.53 1fba s PRO 158 N -2.31 4.52 0.70 3.99 0.02 -0.94 -1.14 135.00 139.85 1fba s PRO 158 Ca 0.18 1.96 -0.08 0.00 0.02 0.00 0.00 61.00 63.07 1fba s PRO 158 Cb -0.10 -3.16 0.05 0.00 0.02 0.00 0.00 34.50 31.32 1fba s PRO 158 CO 0.09 0.03 1.03 -1.54 -0.33 0.00 0.00 177.00 176.29 1fba s SER 159 N -0.59 4.97 0.28 2.53 1.04 -1.24 -4.91 113.70 115.78 1fba s SER 159 Ca 0.47 0.64 -0.01 0.00 0.48 0.00 0.00 55.95 57.53 1fba s SER 159 Cb -0.35 -1.34 0.46 0.00 0.10 0.00 0.00 66.02 64.89 1fba s SER 159 CO 0.44 -1.53 1.90 0.22 0.98 0.00 0.00 173.24 175.25 1fba h TYR 160 N -0.62 1.13 0.09 5.02 3.20 -1.99 -1.64 116.97 122.16 1fba h TYR 160 Ca -0.45 0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.47 1fba h TYR 160 Cb 1.30 -0.37 -0.03 0.00 1.54 0.00 0.00 36.73 39.17 1fba h TYR 160 CO 0.37 0.60 -0.22 0.37 -1.64 0.00 0.00 178.16 177.64 1fba h GLN 161 N 1.12 -0.39 -0.76 1.82 4.15 -1.99 0.62 115.11 119.68 1fba h GLN 161 Ca 0.40 0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.84 1fba h GLN 161 Cb 0.15 0.09 -0.04 0.00 0.21 0.00 0.00 27.48 27.89 1fba h GLN 161 CO -0.15 -0.26 0.43 1.03 -1.93 0.00 0.00 178.83 177.96 1fba h SER 162 N -0.40 0.93 -0.03 -0.69 0.87 -1.88 -1.18 113.55 111.17 1fba h SER 162 Ca 0.03 -0.08 -0.00 0.00 -1.23 0.00 0.00 61.79 60.51 1fba h SER 162 Cb 0.44 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 62.16 1fba h SER 162 CO -0.14 0.75 0.00 0.40 -0.53 0.00 0.00 176.83 177.31 1fba h ILE 163 N 1.05 1.22 -0.04 2.23 2.04 -0.95 -1.22 117.51 121.84 1fba h ILE 163 Ca 0.27 -0.66 0.01 0.00 1.00 0.00 0.00 64.86 65.48 1fba h ILE 163 Cb 0.00 1.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.67 1fba h ILE 163 CO -0.05 0.18 -0.03 0.25 0.00 0.00 0.00 178.15 178.50 1fba h LEU 164 N -0.20 -0.10 -0.16 1.44 5.85 -0.78 -1.67 115.31 119.68 1fba h LEU 164 Ca 0.01 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 1fba h LEU 164 Cb 0.28 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 1fba h LEU 164 CO 0.00 -0.05 0.01 -0.08 -0.34 0.00 0.00 178.44 177.98 1fba h GLU 165 N -0.04 0.29 -0.58 1.25 4.57 -1.18 -0.91 114.58 117.97 1fba h GLU 165 Ca 0.03 -0.09 -0.05 0.00 -1.18 0.00 0.00 59.36 58.07 1fba h GLU 165 Cb 0.08 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.62 1fba h GLU 165 CO -0.06 0.49 0.18 -0.91 -1.18 0.00 0.00 179.01 177.53 1fba h ASN 166 N 0.04 0.85 -0.67 1.04 2.35 -1.25 -0.15 115.58 117.79 1fba h ASN 166 Ca 0.05 -0.21 -0.04 0.00 -0.55 0.00 0.00 56.30 55.55 1fba h ASN 166 Cb 0.36 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.48 1fba h ASN 166 CO 0.01 0.83 0.27 0.00 -1.65 0.00 0.00 177.43 176.89 1fba h ALA 167 N 1.05 0.87 -0.57 -0.83 0.00 -1.29 -2.11 119.26 116.38 1fba h ALA 167 Ca 0.19 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 1fba h ALA 167 Cb 0.28 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1fba h ALA 167 CO -0.01 0.48 -0.07 -0.97 0.00 0.00 0.00 179.25 178.68 1fba h ASN 168 N 0.95 1.05 -0.08 0.00 -1.24 -0.77 -2.33 115.58 113.16 1fba h ASN 168 Ca 0.22 -0.33 -0.13 0.00 0.71 0.00 0.00 56.30 56.77 1fba h ASN 168 Cb 0.20 -0.28 -0.01 0.00 0.73 0.00 0.00 38.32 38.95 1fba h ASN 168 CO -0.02 1.14 -0.37 1.62 -1.29 0.00 0.00 177.43 178.50 1fba h VAL 169 N 0.94 1.29 -0.81 2.57 3.04 -0.96 -1.74 116.25 120.59 1fba h VAL 169 Ca 0.15 -1.52 -0.01 0.00 -1.01 0.00 0.00 66.70 64.31 1fba h VAL 169 Cb 0.64 1.50 -0.04 0.00 -2.01 0.00 0.00 31.29 31.39 1fba h VAL 169 CO 0.04 0.48 0.48 -0.07 -1.01 0.00 0.00 177.57 177.49 1fba h LEU 170 N 0.49 0.98 -0.77 3.16 3.38 -1.32 -1.66 115.31 119.57 1fba h LEU 170 Ca 0.05 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 1fba h LEU 170 Cb 0.87 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 1fba h LEU 170 CO 0.07 0.77 0.10 0.00 0.09 0.00 0.00 178.44 179.47 1fba h ALA 171 N 1.25 0.98 -0.09 1.53 0.00 -1.09 -0.97 119.26 120.88 1fba h ALA 171 Ca 0.29 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1fba h ALA 171 Cb -0.02 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 1fba h ALA 171 CO -0.05 0.64 -0.00 0.00 0.00 0.00 0.00 179.25 179.83 1fba h ARG 172 N 0.96 0.15 -0.73 0.00 2.47 -1.05 -1.45 114.38 114.74 1fba h ARG 172 Ca 0.19 -0.05 0.07 0.00 -1.26 0.00 0.00 59.98 58.93 1fba h ARG 172 Cb 0.42 -0.01 -0.06 0.00 -1.65 0.00 0.00 29.97 28.67 1fba h ARG 172 CO 0.01 0.42 0.42 -0.92 0.56 0.00 0.00 179.97 180.46 1fba h TYR 173 N -0.13 0.76 -0.40 3.04 3.20 -1.24 -1.74 116.97 120.47 1fba h TYR 173 Ca 0.02 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.82 1fba h TYR 173 Cb 0.36 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 1fba h TYR 173 CO 0.04 0.36 -0.12 0.00 -1.64 0.00 0.00 178.16 176.79 1fba h ALA 174 N 1.38 0.56 -0.42 1.82 0.00 -1.06 -1.77 119.26 119.77 1fba h ALA 174 Ca 0.33 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1fba h ALA 174 Cb 0.21 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1fba h ALA 174 CO -0.19 0.45 0.26 1.03 0.00 0.00 0.00 179.25 180.80 1fba h SER 175 N 0.60 0.49 -0.39 0.00 0.87 -1.01 -1.82 113.55 112.30 1fba h SER 175 Ca 0.10 -0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.60 1fba h SER 175 Cb 0.66 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.48 1fba h SER 175 CO 0.05 0.39 0.17 0.40 -0.53 0.00 0.00 176.83 177.30 1fba h ILE 176 N 0.56 1.19 -0.20 2.23 2.04 -1.16 -1.90 117.51 120.27 1fba h ILE 176 Ca 0.15 -0.56 0.03 0.00 1.00 0.00 0.00 64.86 65.48 1fba h ILE 176 Cb -0.02 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 1fba h ILE 176 CO -0.03 0.21 0.02 0.00 0.00 0.00 0.00 178.15 178.35 1fba h GLN 178 N 0.09 1.21 0.00 0.00 4.20 -1.12 -0.78 115.11 118.71 1fba h GLN 178 Ca 0.09 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.72 1fba h GLN 178 Cb 0.10 -0.27 -0.00 0.00 0.30 0.00 0.00 27.48 27.60 1fba h GLN 178 CO -0.13 0.80 -0.02 0.66 -0.67 0.00 0.00 178.83 179.47 1fba h SER 179 N 1.25 0.00 -0.46 1.46 4.64 -0.88 -2.19 113.55 117.37 1fba h SER 179 Ca 0.35 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.58 1fba h SER 179 Cb -0.10 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 61.93 1fba h SER 179 CO -0.09 0.02 0.07 0.00 -0.87 0.00 0.00 176.83 175.96 1fba n GLN 180 N -3.73 3.28 -2.86 4.77 1.13 -0.38 -4.97 117.38 114.62 1fba n GLN 180 Ca -0.03 -3.01 -0.19 0.00 -1.94 0.00 0.00 57.00 51.83 1fba n GLN 180 Cb 0.11 -2.01 0.03 0.00 0.11 0.00 0.00 30.24 28.47 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 -0.34 -4.01 -5.13 -1.09 1.74 -0.82 -4.74 116.66 102.26 1fba n ARG 181 Ca 0.30 0.81 -0.31 0.00 -0.77 0.00 0.00 57.85 57.87 1fba n ARG 181 Cb 1.10 -5.41 -0.17 0.00 -1.02 0.00 0.00 32.46 26.96 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 -3.08 1.98 -0.21 0.55 -1.09 -0.68 -4.89 121.20 113.78 1fba s ILE 182 Ca 0.24 -0.97 -0.29 0.00 -2.23 0.00 0.00 60.65 57.40 1fba s ILE 182 Cb -0.11 -1.72 0.00 0.00 -1.58 0.00 0.00 42.46 39.06 1fba s ILE 182 CO 0.30 0.54 1.06 -0.69 -1.23 0.00 0.00 174.94 174.91 1fba s VAL 183 N 0.40 4.65 0.03 2.92 1.01 -0.55 -2.96 120.40 125.90 1fba s VAL 183 Ca -0.18 1.98 -0.28 0.00 0.00 0.00 0.00 61.98 63.50 1fba s VAL 183 Cb -0.18 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 31.88 1fba s VAL 183 CO 0.08 -0.15 0.89 -2.16 0.00 0.00 0.00 175.10 173.76 1fba s PRO 184 N 3.06 4.57 -0.29 2.72 0.04 -1.26 -0.19 135.00 143.64 1fba s PRO 184 Ca 0.46 1.28 -0.18 0.00 0.04 0.00 0.00 61.00 62.60 1fba s PRO 184 Cb -0.16 -3.42 -0.02 0.00 0.04 0.00 0.00 34.50 30.94 1fba s PRO 184 CO 0.09 0.10 0.50 0.42 0.04 0.00 0.00 177.00 178.15 1fba s ILE 185 N 0.51 5.06 -0.29 0.56 1.01 -0.22 -2.63 121.20 125.20 1fba s ILE 185 Ca 0.46 0.68 -0.23 0.00 0.00 0.00 0.00 60.65 61.55 1fba s ILE 185 Cb -0.21 -3.86 -0.00 0.00 0.01 0.00 0.00 42.46 38.40 1fba s ILE 185 CO 0.26 -0.01 0.77 -0.69 0.00 0.00 0.00 174.94 175.27 1fba s VAL 186 N 2.32 4.83 -0.44 2.92 1.01 0.14 -3.90 120.40 127.28 1fba s VAL 186 Ca 0.20 1.25 0.03 0.00 0.00 0.00 0.00 61.98 63.45 1fba s VAL 186 Cb -0.16 -4.11 0.13 0.00 0.00 0.00 0.00 36.38 32.24 1fba s VAL 186 CO 0.11 -0.18 0.21 -0.70 0.00 0.00 0.00 175.10 174.54 1fba s GLU 187 N 2.87 1.45 -0.98 2.72 2.12 -1.23 -0.31 118.70 125.33 1fba s GLU 187 Ca 0.32 -2.07 -0.13 0.00 0.36 0.00 0.00 54.97 53.45 1fba s GLU 187 Cb -0.15 -2.67 0.23 0.00 0.26 0.00 0.00 34.13 31.80 1fba s GLU 187 CO 0.11 -1.11 1.00 -1.25 -0.54 0.00 0.00 175.26 173.47 1fba s PRO 188 N 0.35 3.88 -0.31 4.30 0.04 -1.25 -0.82 135.00 141.19 1fba s PRO 188 Ca 0.16 -2.69 -0.28 0.00 0.04 0.00 0.00 61.00 58.23 1fba s PRO 188 Cb -0.24 -4.59 0.01 0.00 0.04 0.00 0.00 34.50 29.73 1fba s PRO 188 CO -0.03 -1.36 1.00 -2.00 0.04 0.00 0.00 177.00 174.64 1fba s GLU 189 N 0.00 4.06 -0.31 4.56 2.12 -0.35 -4.52 118.70 124.26 1fba s GLU 189 Ca 0.27 0.97 -0.23 0.00 0.36 0.00 0.00 54.97 56.33 1fba s GLU 189 Cb -0.09 -3.73 0.00 0.00 0.26 0.00 0.00 34.13 30.58 1fba s GLU 189 CO -0.08 -0.82 0.78 0.08 -0.54 0.00 0.00 175.26 174.68 1fba s VAL 190 N 3.43 4.79 0.45 3.70 1.01 -1.26 -0.38 120.40 132.14 1fba s VAL 190 Ca 0.42 1.14 -0.24 0.00 0.00 0.00 0.00 61.98 63.30 1fba s VAL 190 Cb -0.13 -4.15 -0.08 0.00 0.00 0.00 0.00 36.38 32.03 1fba s VAL 190 CO 0.14 -0.27 1.24 -0.76 0.00 0.00 0.00 175.10 175.45 1fba s LEU 191 N 2.96 4.08 0.47 3.92 1.43 -0.24 -4.81 118.68 126.49 1fba s LEU 191 Ca 0.32 2.50 0.27 0.00 -1.03 0.00 0.00 54.13 56.19 1fba s LEU 191 Cb -0.14 -4.10 0.80 0.00 0.03 0.00 0.00 46.19 42.77 1fba s LEU 191 CO 0.13 -0.97 1.77 1.55 0.23 0.00 0.00 176.35 179.06 1fba h PRO 192 N 2.24 0.00 -6.28 1.29 0.13 -1.95 -3.41 132.00 124.02 1fba h PRO 192 Ca -0.50 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 63.98 1fba h PRO 192 Cb 1.25 0.00 0.09 0.00 0.13 0.00 0.00 31.00 32.47 1fba h PRO 192 CO 0.61 0.08 0.10 -0.25 -0.23 0.00 0.00 178.00 178.30 1fba n ASP 193 N -3.15 0.81 0.00 1.44 9.92 -1.26 -1.58 116.55 122.73 1fba n ASP 193 Ca 0.02 1.15 0.00 0.00 -0.53 0.00 0.00 54.79 55.43 1fba n ASP 193 Cb 0.45 -1.16 0.00 0.00 -0.64 0.00 0.00 41.12 39.76 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 1.81 -0.30 0.49 0.44 0.00 -1.26 -4.64 105.19 101.72 1fba n GLY 194 Ca 0.15 -2.28 0.07 0.00 0.00 0.00 0.00 46.02 43.95 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 0.00 1.90 -4.80 1.61 5.75 -1.26 -1.56 116.55 118.19 1fba n ASP 195 Ca 0.00 -3.70 -0.31 0.00 -0.01 0.00 0.00 54.79 50.77 1fba n ASP 195 Cb 0.00 -0.51 0.06 0.00 -1.03 0.00 0.00 41.12 39.65 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 -3.15 2.92 0.65 2.11 -3.43 -1.26 -4.65 115.29 108.47 1fba s HIS 196 Ca 0.37 1.47 0.03 0.00 -0.80 0.00 0.00 55.06 56.13 1fba s HIS 196 Cb 0.35 -2.94 0.10 0.00 -1.43 0.00 0.00 32.58 28.66 1fba s HIS 196 CO -0.04 -1.44 0.89 0.16 -2.00 0.00 0.00 174.74 172.31 1fba s ASP 197 N -3.63 4.72 0.29 7.38 1.47 -1.26 0.37 116.67 126.01 1fba s ASP 197 Ca 0.59 -0.47 -0.01 0.00 1.18 0.00 0.00 52.55 53.83 1fba s ASP 197 Cb -0.15 -0.04 0.43 0.00 -0.34 0.00 0.00 42.92 42.81 1fba s ASP 197 CO 0.55 -1.59 1.89 0.25 0.68 0.00 0.00 175.17 176.96 1fba h LEU 198 N -0.21 0.85 -0.20 2.11 5.85 -1.92 -2.02 115.31 119.78 1fba h LEU 198 Ca -0.35 -0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.31 1fba h LEU 198 Cb 1.28 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 42.06 1fba h LEU 198 CO 0.42 0.72 0.02 -0.78 -0.34 0.00 0.00 178.44 178.48 1fba h ASP 199 N 0.93 -0.02 -0.15 1.25 3.58 -1.94 -0.51 116.42 119.55 1fba h ASP 199 Ca 0.23 0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.70 1fba h ASP 199 Cb 0.11 0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.20 1fba h ASP 199 CO -0.03 0.02 0.04 -0.09 -2.88 0.00 0.00 179.24 176.30 1fba h ARG 200 N 0.10 0.24 -0.57 0.28 9.65 -1.90 -2.30 114.38 119.87 1fba h ARG 200 Ca 0.09 -0.05 0.03 0.00 -1.10 0.00 0.00 59.98 58.94 1fba h ARG 200 Cb 0.10 -0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 28.61 1fba h ARG 200 CO -0.13 0.37 0.38 0.00 2.80 0.00 0.00 179.97 183.39 1fba h ALA 201 N 0.86 1.68 -0.18 2.80 0.00 -1.15 -0.93 119.26 122.33 1fba h ALA 201 Ca 0.05 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1fba h ALA 201 Cb 0.24 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1fba h ALA 201 CO -0.00 0.26 -0.25 0.37 0.00 0.00 0.00 179.25 179.64 1fba h GLN 202 N 0.69 0.49 -0.41 0.00 4.15 -0.93 -0.89 115.11 118.22 1fba h GLN 202 Ca 0.22 -0.28 -0.04 0.00 0.77 0.00 0.00 58.65 59.32 1fba h GLN 202 Cb 0.05 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.74 1fba h GLN 202 CO -0.06 0.87 0.09 0.87 -1.93 0.00 0.00 178.83 178.67 1fba h LYS 203 N 0.14 0.66 -0.46 1.69 1.57 -1.02 -0.15 116.57 119.01 1fba h LYS 203 Ca 0.02 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 1fba h LYS 203 Cb 0.81 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.02 1fba h LYS 203 CO 0.06 0.69 0.30 0.28 -0.57 0.00 0.00 179.45 180.21 1fba h VAL 204 N 0.52 1.12 -0.63 0.50 2.07 -1.20 -1.20 116.25 117.44 1fba h VAL 204 Ca 0.13 -0.23 -0.04 0.00 0.82 0.00 0.00 66.70 67.38 1fba h VAL 204 Cb 0.33 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 1fba h VAL 204 CO 0.00 0.12 0.22 0.74 0.02 0.00 0.00 177.57 178.67 1fba h THR 205 N 0.62 1.24 -0.42 2.57 2.02 -0.77 -1.25 112.91 116.92 1fba h THR 205 Ca 0.17 -0.79 -0.09 0.00 0.77 0.00 0.00 66.41 66.47 1fba h THR 205 Cb -0.07 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 66.90 1fba h THR 205 CO -0.04 0.30 -0.12 -0.33 0.37 0.00 0.00 175.52 175.71 1fba h GLU 206 N 0.89 0.76 -0.18 6.66 5.08 -0.87 -1.74 114.58 125.17 1fba h GLU 206 Ca 0.21 -0.25 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 1fba h GLU 206 Cb 0.25 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1fba h GLU 206 CO -0.01 0.85 -0.04 1.15 -1.00 0.00 0.00 179.01 179.95 1fba h THR 207 N 0.68 1.29 0.16 1.13 2.02 -1.01 -2.44 112.91 114.74 1fba h THR 207 Ca 0.12 -1.01 -0.00 0.00 0.77 0.00 0.00 66.41 66.28 1fba h THR 207 Cb 0.59 1.59 -0.01 0.00 -1.74 0.00 0.00 68.15 68.58 1fba h THR 207 CO 0.04 0.30 -0.12 0.58 0.37 0.00 0.00 175.52 176.69 1fba h VAL 208 N 0.06 0.74 -0.45 3.16 2.07 -1.18 -2.97 116.25 117.67 1fba h VAL 208 Ca 0.05 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.51 1fba h VAL 208 Cb 0.48 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 1fba h VAL 208 CO 0.02 0.00 0.05 -0.07 0.02 0.00 0.00 177.57 177.58 1fba h LEU 209 N -0.29 0.66 -0.61 2.57 3.38 -1.33 -1.57 115.31 118.12 1fba h LEU 209 Ca -0.01 -0.13 0.03 0.00 0.09 0.00 0.00 57.88 57.86 1fba h LEU 209 Cb 0.26 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 1fba h LEU 209 CO -0.01 0.70 0.37 0.00 0.09 0.00 0.00 178.44 179.59 1fba h ALA 210 N 1.38 0.80 -0.51 1.53 0.00 -1.35 -1.80 119.26 119.30 1fba h ALA 210 Ca 0.14 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 1fba h ALA 210 Cb 0.35 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1fba h ALA 210 CO 0.01 0.09 0.09 0.00 0.00 0.00 0.00 179.25 179.44 1fba h ALA 211 N 1.28 0.68 -0.33 0.00 0.00 -1.33 -0.56 119.26 119.00 1fba h ALA 211 Ca 0.25 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 54.97 1fba h ALA 211 Cb 0.05 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 1fba h ALA 211 CO -0.12 0.41 0.07 0.28 0.00 0.00 0.00 179.25 179.89 1fba h VAL 212 N 0.73 0.85 -0.01 0.00 2.07 -0.97 -0.70 116.25 118.21 1fba h VAL 212 Ca 0.16 -0.07 -0.14 0.00 0.82 0.00 0.00 66.70 67.47 1fba h VAL 212 Cb 0.39 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 1fba h VAL 212 CO 0.01 0.03 -0.67 1.88 0.02 0.00 0.00 177.57 178.84 1fba h TYR 213 N 0.19 0.07 -0.56 1.57 0.05 -1.18 -1.27 116.97 115.84 1fba h TYR 213 Ca 0.15 -0.03 -0.08 0.00 0.05 0.00 0.00 58.73 58.83 1fba h TYR 213 Cb 0.16 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 37.87 1fba h TYR 213 CO -0.17 0.70 0.04 -0.22 -1.05 0.00 0.00 178.16 177.46 1fba h LYS 214 N 0.03 0.96 -0.58 4.88 1.63 -0.69 -2.01 116.57 120.80 1fba h LYS 214 Ca -0.01 -0.28 -0.05 0.00 -0.85 0.00 0.00 60.65 59.46 1fba h LYS 214 Cb 1.19 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 32.70 1fba h LYS 214 CO 0.09 0.95 0.18 0.00 -3.45 0.00 0.00 179.45 177.22 1fba h ALA 215 N 0.98 0.75 -0.58 5.00 0.00 -0.95 -0.16 119.26 124.31 1fba h ALA 215 Ca 0.16 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1fba h ALA 215 Cb 0.48 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1fba h ALA 215 CO 0.02 0.42 0.35 -0.07 0.00 0.00 0.00 179.25 179.97 1fba h LEU 216 N 0.81 0.68 -0.02 0.00 3.38 -1.14 -1.68 115.31 117.34 1fba h LEU 216 Ca 0.19 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 1fba h LEU 216 Cb 0.28 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 1fba h LEU 216 CO -0.01 0.52 0.00 -1.28 0.09 0.00 0.00 178.44 177.76 1fba h SER 217 N 0.79 0.03 -0.82 -0.43 0.87 -0.89 -1.44 113.55 111.65 1fba h SER 217 Ca 0.21 -0.26 0.14 0.00 -1.23 0.00 0.00 61.79 60.65 1fba h SER 217 Cb -0.04 -0.01 -0.06 0.00 -0.44 0.00 0.00 62.40 61.85 1fba h SER 217 CO -0.04 0.28 0.54 0.44 -0.53 0.00 0.00 176.83 177.51 1fba h ASP 218 N -0.23 0.53 -0.71 6.23 3.32 -0.53 -1.40 116.42 123.64 1fba h ASP 218 Ca 0.01 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1fba h ASP 218 Cb 0.26 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.73 1fba h ASP 218 CO 0.00 0.28 0.00 1.41 -1.72 0.00 0.00 179.24 179.21 1fba n HIS 219 N -4.52 1.23 -3.80 4.55 8.25 -0.68 -4.90 115.22 115.36 1fba n HIS 219 Ca 0.16 -0.55 -0.27 0.00 -0.26 0.00 0.00 57.72 56.79 1fba n HIS 219 Cb 0.48 -0.11 0.04 0.00 1.12 0.00 0.00 29.99 31.52 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 1.44 -2.41 -2.50 4.41 8.25 -0.53 -4.93 115.22 118.95 1fba n HIS 220 Ca 0.25 0.93 -0.41 0.00 -0.26 0.00 0.00 57.72 58.24 1fba n HIS 220 Cb 0.75 -4.32 -0.04 0.00 1.12 0.00 0.00 29.99 27.50 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 -3.34 3.75 -0.68 1.59 1.01 -0.59 -4.94 120.40 117.19 1fba s VAL 221 Ca 0.56 1.58 -0.25 0.00 0.00 0.00 0.00 61.98 63.88 1fba s VAL 221 Cb -0.27 -4.01 0.05 0.00 0.00 0.00 0.00 36.38 32.15 1fba s VAL 221 CO 0.80 0.30 1.10 -0.47 0.00 0.00 0.00 175.10 176.83 1fba s TYR 222 N -0.51 2.52 0.33 5.22 5.04 -1.26 -4.83 117.35 123.85 1fba s TYR 222 Ca 0.48 -0.30 0.02 0.00 -2.44 0.00 0.00 57.07 54.83 1fba s TYR 222 Cb -0.30 -4.42 0.60 0.00 0.35 0.00 0.00 41.96 38.18 1fba s TYR 222 CO 0.37 -1.81 1.97 -0.07 -1.34 0.00 0.00 175.55 174.67 1fba h LEU 223 N 12.03 0.80 -1.99 6.97 3.38 -1.94 -0.94 115.31 133.62 1fba h LEU 223 Ca -0.28 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.66 1fba h LEU 223 Cb 1.06 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.62 1fba h LEU 223 CO 1.22 0.55 -0.08 -0.33 0.09 0.00 0.00 178.44 179.89 1fba h GLU 224 N 0.92 0.00 -0.99 1.13 3.07 -1.90 -1.87 114.58 114.94 1fba h GLU 224 Ca 0.30 0.00 -0.46 0.00 -0.50 0.00 0.00 59.36 58.70 1fba h GLU 224 Cb 0.05 0.00 -0.27 0.00 -0.84 0.00 0.00 28.75 27.68 1fba h GLU 224 CO -0.09 0.08 0.58 0.41 -1.40 0.00 0.00 179.01 178.60 1fba n GLY 225 N -0.60 4.24 3.32 -3.84 0.00 -0.36 -4.38 105.19 103.57 1fba n GLY 225 Ca -0.02 -0.99 -0.16 0.00 0.00 0.00 0.00 46.02 44.85 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 -3.00 0.76 0.12 2.61 -4.23 -0.70 -4.24 115.64 106.95 1fba s THR 226 Ca 0.52 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 59.07 1fba s THR 226 Cb 0.44 -2.48 -0.04 0.00 1.34 0.00 0.00 72.50 71.76 1fba s THR 226 CO 0.10 -0.18 -0.10 -0.76 -0.54 0.00 0.00 174.62 173.14 1fba s LEU 227 N -3.30 2.45 -0.07 4.79 1.43 -1.08 -3.34 118.68 119.56 1fba s LEU 227 Ca 0.33 -0.89 0.04 0.00 -1.03 0.00 0.00 54.13 52.57 1fba s LEU 227 Cb 0.07 -0.34 -0.02 0.00 0.03 0.00 0.00 46.19 45.93 1fba s LEU 227 CO 0.11 -0.28 -0.18 -0.22 0.23 0.00 0.00 176.35 176.01 1fba s LEU 228 N -2.71 2.48 -0.57 1.79 2.96 -0.72 -0.68 118.68 121.22 1fba s LEU 228 Ca 0.10 -0.35 0.04 0.00 -0.22 0.00 0.00 54.13 53.70 1fba s LEU 228 Cb -0.01 -1.50 0.15 0.00 0.50 0.00 0.00 46.19 45.33 1fba s LEU 228 CO 0.00 0.26 0.37 -0.75 -1.32 0.00 0.00 176.35 174.91 1fba s LYS 229 N -0.24 1.89 0.33 1.98 2.20 0.58 0.19 119.74 126.68 1fba s LYS 229 Ca 0.00 -2.74 0.07 0.00 -0.36 0.00 0.00 55.97 52.94 1fba s LYS 229 Cb -0.13 -2.88 -0.01 0.00 -1.51 0.00 0.00 37.83 33.30 1fba s LYS 229 CO 0.03 -1.24 0.47 -1.25 -0.36 0.00 0.00 175.35 173.00 1fba s PRO 230 N -0.62 3.12 0.61 4.03 0.04 -1.26 -3.87 135.00 137.04 1fba s PRO 230 Ca 0.23 -1.01 -0.16 0.00 0.04 0.00 0.00 61.00 60.09 1fba s PRO 230 Cb -0.12 -2.82 -0.02 0.00 0.04 0.00 0.00 34.50 31.58 1fba s PRO 230 CO -0.10 0.07 1.10 0.54 0.04 0.00 0.00 177.00 178.64 1fba s ASN 231 N -4.17 5.46 0.58 6.66 4.22 -1.26 -1.99 114.94 124.45 1fba s ASN 231 Ca 0.45 1.98 -0.14 0.00 -2.14 0.00 0.00 52.86 53.00 1fba s ASN 231 Cb -0.09 -2.55 -0.05 0.00 1.28 0.00 0.00 41.25 39.83 1fba s ASN 231 CO 0.31 -1.39 1.02 -0.04 -2.04 0.00 0.00 177.10 174.96 1fba s MET 232 N -3.90 3.59 -0.41 3.55 -1.94 -1.26 -4.93 119.30 114.00 1fba s MET 232 Ca 0.67 0.96 -0.26 0.00 -1.71 0.00 0.00 55.69 55.35 1fba s MET 232 Cb -0.20 -2.08 0.02 0.00 2.01 0.00 0.00 34.83 34.58 1fba s MET 232 CO 0.37 -0.57 0.97 0.08 -0.01 0.00 0.00 175.02 175.86 1fba s VAL 233 N -2.77 4.49 0.07 -6.03 1.01 -1.26 -5.00 120.40 110.90 1fba s VAL 233 Ca 0.59 1.12 0.01 0.00 0.00 0.00 0.00 61.98 63.69 1fba s VAL 233 Cb -0.12 -4.41 -0.04 0.00 0.00 0.00 0.00 36.38 31.81 1fba s VAL 233 CO 0.41 -0.69 -0.05 0.42 0.00 0.00 0.00 175.10 175.19 1fba s THR 234 N 3.72 0.44 0.93 3.92 -4.23 -1.26 -4.59 115.64 114.57 1fba s THR 234 Ca 0.40 -1.69 -0.11 0.00 -1.18 0.00 0.00 61.69 59.10 1fba s THR 234 Cb -0.11 -1.37 0.15 0.00 1.34 0.00 0.00 72.50 72.52 1fba s THR 234 CO 0.23 -0.83 1.09 0.00 -0.54 0.00 0.00 174.62 174.57 1fba s ALA 235 N -3.28 1.30 0.79 3.99 0.00 -1.26 -4.67 121.76 118.64 1fba s ALA 235 Ca 0.05 0.08 -0.12 0.00 0.00 0.00 0.00 51.96 51.96 1fba s ALA 235 Cb 0.03 -3.25 0.07 0.00 0.00 0.00 0.00 23.12 19.97 1fba s ALA 235 CO -0.06 -2.59 1.15 0.20 0.00 0.00 0.00 175.76 174.46 1fba s GLY 236 N -3.15 1.94 0.50 0.00 0.00 0.16 -4.89 107.32 101.88 1fba s GLY 236 Ca 0.64 0.60 0.27 0.00 0.00 0.00 0.00 44.72 46.23 1fba s GLY 236 CO 0.58 0.99 1.89 -1.61 0.00 0.00 0.00 173.10 174.95 1fba h GLN 237 N -0.99 0.11 -0.57 2.90 5.75 -0.78 -0.31 115.11 121.21 1fba h GLN 237 Ca -0.45 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.04 1fba h GLN 237 Cb 1.26 -0.03 0.00 0.00 1.07 0.00 0.00 27.48 29.79 1fba h GLN 237 CO 0.48 0.07 0.00 0.43 -2.65 0.00 0.00 178.83 177.16 1fba n SER 238 N -4.35 3.62 -5.00 -0.69 7.64 -0.60 -4.95 113.62 109.29 1fba n SER 238 Ca 0.18 -1.98 -0.18 0.00 1.01 0.00 0.00 58.87 57.90 1fba n SER 238 Cb 0.85 -0.38 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 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 -1.11 4.43 0.33 -0.43 0.00 -0.13 -4.79 121.76 120.07 1fba s ALA 240 Ca 0.41 -1.64 -0.29 0.00 0.00 0.00 0.00 51.96 50.45 1fba s ALA 240 Cb 0.22 -1.60 -0.12 0.00 0.00 0.00 0.00 23.12 21.62 1fba s ALA 240 CO 0.29 -0.22 1.49 1.17 0.00 0.00 0.00 175.76 178.50 1fba n LYS 241 N -1.78 2.57 -2.15 0.00 4.81 -1.26 -4.88 118.16 115.47 1fba n LYS 241 Ca 0.06 0.91 -0.35 0.00 -0.87 0.00 0.00 58.31 58.05 1fba n LYS 241 Cb 0.59 -2.63 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 -1.41 3.19 0.35 1.64 1.02 -1.26 -4.85 119.74 118.42 1fba s LYS 242 Ca 0.58 1.68 0.07 0.00 0.02 0.00 0.00 55.97 58.32 1fba s LYS 242 Cb -0.51 -1.98 -0.02 0.00 -0.52 0.00 0.00 37.83 34.81 1fba s LYS 242 CO 0.57 -0.99 0.40 -0.80 -0.92 0.00 0.00 175.35 173.61 1fba s ASN 243 N -1.74 5.58 0.63 2.83 -0.87 -1.26 -5.11 114.94 115.00 1fba s ASN 243 Ca 0.74 -0.39 -0.12 0.00 -1.57 0.00 0.00 52.86 51.52 1fba s ASN 243 Cb -0.26 -1.01 -0.03 0.00 -0.02 0.00 0.00 41.25 39.93 1fba s ASN 243 CO 0.30 -0.45 1.04 0.42 -2.57 0.00 0.00 177.10 175.83 1fba s THR 244 N -2.27 4.37 0.34 1.60 -4.23 -1.26 -4.91 115.64 109.28 1fba s THR 244 Ca 0.45 0.85 0.07 0.00 -1.18 0.00 0.00 61.69 61.87 1fba s THR 244 Cb -0.07 -3.64 0.31 0.00 1.34 0.00 0.00 72.50 70.43 1fba s THR 244 CO 0.29 -0.92 1.88 -0.65 -0.54 0.00 0.00 174.62 174.68 1fba h PRO 245 N -0.20 0.75 -0.27 3.99 0.11 -1.98 -1.79 132.00 132.62 1fba h PRO 245 Ca -0.45 -0.05 -0.14 0.00 0.11 0.00 0.00 66.00 65.47 1fba h PRO 245 Cb 1.20 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 1fba h PRO 245 CO 0.60 0.50 -0.42 0.93 -0.21 0.00 0.00 178.00 179.39 1fba h GLU 246 N 0.78 0.67 -0.27 1.05 3.07 -1.94 0.52 114.58 118.45 1fba h GLU 246 Ca 0.43 -0.35 -0.04 0.00 -0.50 0.00 0.00 59.36 58.89 1fba h GLU 246 Cb 0.57 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.49 1fba h GLU 246 CO -0.19 0.96 -0.00 0.93 -1.40 0.00 0.00 179.01 179.31 1fba h GLU 247 N 0.54 0.47 0.05 2.33 5.08 -1.77 -1.93 114.58 119.35 1fba h GLU 247 Ca 0.04 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1fba h GLU 247 Cb 0.95 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.16 1fba h GLU 247 CO 0.09 0.64 -0.03 0.82 -1.00 0.00 0.00 179.01 179.53 1fba h ILE 248 N 0.26 0.95 -0.29 3.13 2.04 -1.28 -2.02 117.51 120.30 1fba h ILE 248 Ca 0.08 -0.01 0.04 0.00 1.00 0.00 0.00 64.86 65.96 1fba h ILE 248 Cb 0.42 0.96 -0.04 0.00 -0.74 0.00 0.00 36.82 37.42 1fba h ILE 248 CO 0.01 0.00 0.05 0.00 0.00 0.00 0.00 178.15 178.21 1fba h ALA 249 N 0.87 0.29 0.13 1.87 0.00 -0.87 0.32 119.26 121.86 1fba h ALA 249 Ca -0.01 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1fba h ALA 249 Cb 0.06 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1fba h ALA 249 CO 0.01 -0.37 -0.06 1.25 0.00 0.00 0.00 179.25 180.08 1fba h LEU 250 N 0.15 -0.15 -0.63 0.00 5.85 -1.27 -0.16 115.31 119.10 1fba h LEU 250 Ca 0.13 -0.06 0.06 0.00 0.84 0.00 0.00 57.88 58.86 1fba h LEU 250 Cb 0.15 0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.16 1fba h LEU 250 CO -0.18 -0.04 0.32 0.00 -0.34 0.00 0.00 178.44 178.20 1fba h ALA 251 N 0.61 0.83 -0.08 1.25 0.00 -1.16 -0.74 119.26 119.97 1fba h ALA 251 Ca -0.02 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1fba h ALA 251 Cb 0.20 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1fba h ALA 251 CO 0.03 -0.03 0.02 1.15 0.00 0.00 0.00 179.25 180.43 1fba h THR 252 N 0.60 1.17 -0.32 0.00 2.02 -0.72 -1.43 112.91 114.23 1fba h THR 252 Ca 0.29 -0.52 -0.10 0.00 0.77 0.00 0.00 66.41 66.85 1fba h THR 252 Cb 0.22 1.38 -0.01 0.00 -1.74 0.00 0.00 68.15 67.99 1fba h THR 252 CO -0.20 0.15 -0.22 0.58 0.37 0.00 0.00 175.52 176.20 1fba h VAL 253 N -0.07 1.26 -0.10 3.16 2.07 -0.85 -2.12 116.25 119.60 1fba h VAL 253 Ca 0.02 -1.26 -0.01 0.00 0.82 0.00 0.00 66.70 66.27 1fba h VAL 253 Cb 0.21 1.26 -0.00 0.00 -1.52 0.00 0.00 31.29 31.24 1fba h VAL 253 CO -0.00 0.41 0.04 1.56 0.02 0.00 0.00 177.57 179.60 1fba h GLN 254 N 0.54 0.15 -0.37 1.57 4.20 -0.99 -0.70 115.11 119.51 1fba h GLN 254 Ca 0.08 -0.03 0.06 0.00 0.06 0.00 0.00 58.65 58.82 1fba h GLN 254 Cb 0.67 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.37 1fba h GLN 254 CO 0.05 0.29 0.03 0.00 -0.67 0.00 0.00 178.83 178.53 1fba h ALA 255 N 0.86 0.36 -0.47 3.87 0.00 -1.06 -1.68 119.26 121.13 1fba h ALA 255 Ca 0.03 0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 1fba h ALA 255 Cb 0.19 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1fba h ALA 255 CO -0.00 -0.37 -0.00 -0.07 0.00 0.00 0.00 179.25 178.81 1fba h LEU 256 N 0.14 0.82 -1.58 0.00 3.38 -1.32 -2.91 115.31 113.84 1fba h LEU 256 Ca 0.18 -0.31 0.06 0.00 0.09 0.00 0.00 57.88 57.90 1fba h LEU 256 Cb 0.23 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 1fba h LEU 256 CO -0.27 0.93 0.37 0.03 0.09 0.00 0.00 178.44 179.58 1fba h ARG 257 N 0.69 0.50 0.00 1.13 3.08 -0.67 -0.20 114.38 118.90 1fba h ARG 257 Ca 0.13 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1fba h ARG 257 Cb 0.51 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.44 1fba h ARG 257 CO 0.02 0.33 -0.12 0.54 -1.07 0.00 0.00 179.97 179.67 1fba n ARG 258 N -4.47 0.11 0.00 0.04 1.74 -0.67 -4.58 116.66 108.83 1fba n ARG 258 Ca 0.08 0.08 0.00 0.00 -0.77 0.00 0.00 57.85 57.23 1fba n ARG 258 Cb 0.24 -1.62 0.00 0.00 -1.02 0.00 0.00 32.46 30.06 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 -1.81 0.00 -3.33 0.55 -2.24 -0.87 -5.00 114.28 101.59 1fba n THR 259 Ca 0.06 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.42 1fba n THR 259 Cb 0.38 -0.18 -0.09 0.00 -2.10 0.00 0.00 70.33 68.34 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 -1.18 5.10 0.48 2.28 1.01 -0.14 -4.74 120.40 123.20 1fba s VAL 260 Ca 0.00 -0.08 -0.23 0.00 0.00 0.00 0.00 61.98 61.67 1fba s VAL 260 Cb 0.00 -3.95 -0.08 0.00 0.00 0.00 0.00 36.38 32.35 1fba s VAL 260 CO 0.00 -0.27 1.15 -2.65 0.00 0.00 0.00 175.10 173.32 1fba n PRO 261 N 5.56 1.52 0.23 2.72 -0.02 -1.26 -4.82 135.00 138.93 1fba n PRO 261 Ca -0.07 0.55 0.11 0.00 -2.02 0.00 0.00 63.50 62.07 1fba n PRO 261 Cb 0.48 -2.27 0.70 0.00 -0.02 0.00 0.00 33.50 32.39 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 1.51 1.98 -0.07 3.55 0.00 -1.96 -1.86 119.26 122.41 1fba h ALA 262 Ca -0.47 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.45 1fba h ALA 262 Cb 1.32 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 1fba h ALA 262 CO 0.57 -0.10 0.07 0.00 0.00 0.00 0.00 179.25 179.79 1fba h ALA 263 N 1.95 1.72 -2.48 0.00 0.00 -1.93 -3.43 119.26 115.10 1fba h ALA 263 Ca 0.04 -0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.41 1fba h ALA 263 Cb 0.16 0.01 0.03 0.00 0.00 0.00 0.00 17.79 17.98 1fba h ALA 263 CO -0.00 -0.11 1.01 0.08 0.00 0.00 0.00 179.25 180.23 1fba s VAL 264 N -4.72 2.87 0.27 0.00 1.01 -0.70 -3.34 120.40 115.78 1fba s VAL 264 Ca -0.05 0.39 -0.02 0.00 0.00 0.00 0.00 61.98 62.29 1fba s VAL 264 Cb 0.16 -3.25 0.15 0.00 0.00 0.00 0.00 36.38 33.44 1fba s VAL 264 CO 0.57 0.00 1.81 0.74 0.00 0.00 0.00 175.10 178.23 1fba h THR 265 N 4.67 1.23 -1.91 3.92 2.02 -1.68 -3.45 112.91 117.72 1fba h THR 265 Ca -0.43 -0.83 0.21 0.00 0.77 0.00 0.00 66.41 66.12 1fba h THR 265 Cb 1.20 0.62 -0.14 0.00 -1.74 0.00 0.00 68.15 68.10 1fba h THR 265 CO 0.93 0.31 0.65 -0.83 0.37 0.00 0.00 175.52 176.95 1fba s GLY 266 N -3.59 -0.36 -0.20 2.16 0.00 -1.26 -3.63 107.32 100.44 1fba s GLY 266 Ca -0.10 0.88 -0.01 0.00 0.00 0.00 0.00 44.72 45.49 1fba s GLY 266 CO 0.81 0.26 -0.13 0.14 0.00 0.00 0.00 173.10 174.18 1fba s VAL 267 N -2.83 2.59 -0.46 1.40 1.01 -0.28 -1.76 120.40 120.07 1fba s VAL 267 Ca 0.10 -0.80 -0.03 0.00 0.00 0.00 0.00 61.98 61.25 1fba s VAL 267 Cb 0.00 -2.15 0.12 0.00 0.00 0.00 0.00 36.38 34.35 1fba s VAL 267 CO -0.04 0.46 0.26 0.42 0.00 0.00 0.00 175.10 176.20 1fba s THR 268 N 1.36 3.39 0.43 3.92 -4.23 0.13 -0.53 115.64 120.11 1fba s THR 268 Ca 0.05 -2.27 -0.26 0.00 -1.18 0.00 0.00 61.69 58.03 1fba s THR 268 Cb -0.14 -3.30 -0.09 0.00 1.34 0.00 0.00 72.50 70.32 1fba s THR 268 CO -0.09 -0.74 1.39 -0.36 -0.54 0.00 0.00 174.62 174.29 1fba s PHE 269 N 0.86 2.59 0.33 3.99 0.08 -0.06 -4.15 117.98 121.62 1fba s PHE 269 Ca 0.10 1.30 -0.06 0.00 0.12 0.00 0.00 56.93 58.39 1fba s PHE 269 Cb -0.22 -3.85 -0.05 0.00 -0.57 0.00 0.00 43.02 38.32 1fba s PHE 269 CO -0.04 -2.67 0.62 -0.48 -0.10 0.00 0.00 175.22 172.54 1fba s LEU 270 N -2.55 3.99 0.11 -0.37 0.05 -0.84 -0.99 118.68 118.07 1fba s LEU 270 Ca 0.59 0.82 0.21 0.00 0.05 0.00 0.00 54.13 55.80 1fba s LEU 270 Cb -0.42 -3.66 -0.12 0.00 -2.05 0.00 0.00 46.19 39.94 1fba s LEU 270 CO 0.55 -0.26 0.82 -1.54 -0.55 0.00 0.00 176.35 175.37 1fba n SER 271 N -1.10 0.59 0.00 1.48 3.41 -1.26 -4.30 113.62 112.43 1fba n SER 271 Ca -0.01 0.23 0.00 0.00 -0.26 0.00 0.00 58.87 58.84 1fba n SER 271 Cb 0.54 0.86 0.00 0.00 -0.26 0.00 0.00 64.21 65.35 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 1.25 3.31 1.22 5.00 0.00 -1.26 -2.08 105.19 112.64 1fba n GLY 272 Ca -0.03 -0.13 0.09 0.00 0.00 0.00 0.00 46.02 45.95 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 2.72 3.77 -0.02 0.00 -1.26 -4.76 105.19 105.63 1fba n GLY 273 Ca 0.00 -0.72 -0.39 0.00 0.00 0.00 0.00 46.02 44.90 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 -1.32 4.22 0.98 1.61 -0.21 -0.88 -2.60 119.66 121.45 1fba s GLN 274 Ca 0.43 1.99 -0.12 0.00 0.02 0.00 0.00 55.36 57.68 1fba s GLN 274 Cb 0.25 -2.88 0.18 0.00 1.00 0.00 0.00 33.01 31.55 1fba s GLN 274 CO 0.26 -0.22 1.08 -1.54 -2.12 0.00 0.00 175.29 172.75 1fba s SER 275 N -0.85 2.63 0.24 5.90 1.04 -1.26 -4.16 113.70 117.25 1fba s SER 275 Ca 0.53 1.51 -0.05 0.00 0.48 0.00 0.00 55.95 58.42 1fba s SER 275 Cb -0.35 -2.18 0.35 0.00 0.10 0.00 0.00 66.02 63.94 1fba s SER 275 CO 0.45 -3.17 1.85 -0.33 0.98 0.00 0.00 173.24 173.01 1fba h GLU 276 N -1.92 0.94 -0.03 4.02 5.08 -1.80 -2.02 114.58 118.84 1fba h GLU 276 Ca -0.53 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 57.75 1fba h GLU 276 Cb 1.30 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1fba h GLU 276 CO 0.53 0.62 -0.08 1.49 -1.00 0.00 0.00 179.01 180.56 1fba h GLU 277 N 0.97 0.11 -0.86 2.33 4.57 -1.87 -2.87 114.58 116.97 1fba h GLU 277 Ca 0.38 -0.08 0.11 0.00 -1.18 0.00 0.00 59.36 58.60 1fba h GLU 277 Cb 0.20 0.01 -0.08 0.00 -0.16 0.00 0.00 28.75 28.72 1fba h GLU 277 CO -0.18 0.69 0.49 0.93 -1.18 0.00 0.00 179.01 179.75 1fba h GLU 278 N -0.44 0.75 -0.81 1.92 5.08 -1.89 0.36 114.58 119.55 1fba h GLU 278 Ca -0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1fba h GLU 278 Cb 0.69 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.73 1fba h GLU 278 CO 0.02 0.50 0.51 0.00 -1.00 0.00 0.00 179.01 179.04 1fba h ALA 279 N 1.49 1.38 -0.01 3.43 0.00 -1.35 0.25 119.26 124.45 1fba h ALA 279 Ca 0.43 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.25 1fba h ALA 279 Cb 0.46 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1fba h ALA 279 CO -0.28 0.56 -0.06 1.15 0.00 0.00 0.00 179.25 180.62 1fba h THR 280 N 1.11 1.56 -0.77 0.00 2.02 -1.10 -2.78 112.91 112.94 1fba h THR 280 Ca 0.29 -1.72 0.02 0.00 0.77 0.00 0.00 66.41 65.78 1fba h THR 280 Cb -0.09 2.69 -0.04 0.00 -1.74 0.00 0.00 68.15 68.97 1fba h THR 280 CO -0.06 0.45 0.50 0.58 0.37 0.00 0.00 175.52 177.36 1fba h VAL 281 N -0.64 1.16 -0.08 3.16 2.07 -0.78 -1.62 116.25 119.52 1fba h VAL 281 Ca -0.01 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 67.17 1fba h VAL 281 Cb 0.77 0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.61 1fba h VAL 281 CO 0.01 0.18 0.04 0.78 0.02 0.00 0.00 177.57 178.60 1fba h ASN 282 N 1.00 0.11 -1.00 0.57 2.35 -0.59 -1.91 115.58 116.12 1fba h ASN 282 Ca 0.29 -0.14 0.06 0.00 -0.55 0.00 0.00 56.30 55.96 1fba h ASN 282 Cb -0.06 -0.03 -0.06 0.00 0.05 0.00 0.00 38.32 38.22 1fba h ASN 282 CO -0.08 0.22 0.65 0.25 -1.65 0.00 0.00 177.43 176.81 1fba h LEU 283 N -0.00 1.05 -0.37 1.61 5.85 -1.29 -1.49 115.31 120.67 1fba h LEU 283 Ca 0.03 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 1fba h LEU 283 Cb 0.14 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 1fba h LEU 283 CO -0.00 0.68 0.07 -1.28 -0.34 0.00 0.00 178.44 177.57 1fba h SER 284 N 1.20 0.58 -0.73 1.25 0.87 -0.96 -2.33 113.55 113.42 1fba h SER 284 Ca 0.42 -0.25 -0.02 0.00 -1.23 0.00 0.00 61.79 60.70 1fba h SER 284 Cb 0.12 -0.15 -0.04 0.00 -0.44 0.00 0.00 62.40 61.89 1fba h SER 284 CO -0.16 0.69 0.37 0.00 -0.53 0.00 0.00 176.83 177.20 1fba h ALA 285 N 0.91 1.24 -0.94 6.23 0.00 -1.07 -2.42 119.26 123.22 1fba h ALA 285 Ca 0.11 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1fba h ALA 285 Cb 0.35 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 1fba h ALA 285 CO 0.01 0.59 0.62 0.82 0.00 0.00 0.00 179.25 181.29 1fba h ILE 286 N 1.06 1.24 0.00 0.00 2.04 -1.00 -1.61 117.51 119.25 1fba h ILE 286 Ca 0.26 -0.44 0.00 0.00 1.00 0.00 0.00 64.86 65.68 1fba h ILE 286 Cb 0.09 -0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.03 1fba h ILE 286 CO -0.04 0.23 0.00 0.59 0.00 0.00 0.00 178.15 178.94 1fba n ASN 287 N -4.39 0.00 -0.00 1.72 3.02 -0.90 -2.95 115.26 111.75 1fba n ASN 287 Ca 0.11 -1.49 0.00 0.00 -0.03 0.00 0.00 54.58 53.17 1fba n ASN 287 Cb 0.02 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.19 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 -0.68 1.81 -4.72 6.41 3.02 -0.61 -4.55 115.26 115.94 1fba n ASN 288 Ca 0.08 -1.92 -0.42 0.00 -0.03 0.00 0.00 54.58 52.29 1fba n ASN 288 Cb 0.03 -0.01 -0.03 0.00 -0.61 0.00 0.00 39.78 39.17 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 -0.93 3.75 -0.44 2.41 1.01 -1.15 -4.89 120.40 120.16 1fba s VAL 289 Ca 0.00 1.31 -0.07 0.00 0.00 0.00 0.00 61.98 63.23 1fba s VAL 289 Cb 0.00 -3.84 -0.22 0.00 0.00 0.00 0.00 36.38 32.32 1fba s VAL 289 CO 0.00 0.13 3.44 -0.81 0.00 0.00 0.00 175.10 177.86 1fba n PRO 290 N 3.52 2.45 -4.17 2.72 -0.04 -1.26 -4.77 135.00 133.45 1fba n PRO 290 Ca 0.08 -1.32 -0.15 0.00 -0.04 0.00 0.00 63.50 62.07 1fba n PRO 290 Cb 0.45 -2.22 -0.11 0.00 -0.04 0.00 0.00 33.50 31.59 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 0.05 2.39 0.17 1.53 1.43 -1.26 -5.11 118.68 117.87 1fba s LEU 291 Ca 0.67 -0.79 -0.31 0.00 -1.03 0.00 0.00 54.13 52.68 1fba s LEU 291 Cb 0.28 -0.33 -0.10 0.00 0.03 0.00 0.00 46.19 46.07 1fba s LEU 291 CO -0.02 -0.24 1.51 -0.63 0.23 0.00 0.00 176.35 177.21 1fba s ILE 292 N -2.28 2.76 -0.40 -0.59 1.01 -1.26 -4.97 121.20 115.46 1fba s ILE 292 Ca 0.04 0.56 0.03 0.00 0.00 0.00 0.00 60.65 61.28 1fba s ILE 292 Cb -0.04 -3.36 0.12 0.00 0.01 0.00 0.00 42.46 39.19 1fba s ILE 292 CO 0.00 0.05 0.16 -0.13 0.00 0.00 0.00 174.94 175.03 1fba s ARG 293 N 0.86 1.40 0.00 2.79 0.52 -1.26 -4.97 118.95 118.28 1fba s ARG 293 Ca 0.67 -1.93 0.30 0.00 -0.52 0.00 0.00 55.73 54.25 1fba s ARG 293 Cb -0.42 -2.76 1.76 0.00 0.52 0.00 0.00 34.95 34.04 1fba s ARG 293 CO 0.33 -1.05 2.11 -0.35 0.02 0.00 0.00 175.30 176.36 1fba n PRO 294 N 3.91 0.89 -4.29 3.54 -0.04 -1.26 -4.78 135.00 132.96 1fba n PRO 294 Ca 0.04 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.32 1fba n PRO 294 Cb 0.38 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.23 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 -2.05 1.56 0.37 0.54 0.51 -1.26 -4.96 118.94 113.64 1fba s TRP 295 Ca 0.43 -0.57 -0.28 0.00 -2.12 0.00 0.00 56.10 53.56 1fba s TRP 295 Cb 0.20 -0.77 -0.11 0.00 -0.81 0.00 0.00 33.47 31.98 1fba s TRP 295 CO 0.35 0.24 1.51 0.00 -0.51 0.00 0.00 176.95 178.54 1fba s ALA 296 N -2.55 3.60 -0.35 0.98 0.00 -1.24 -4.86 121.76 117.34 1fba s ALA 296 Ca 0.16 1.59 0.04 0.00 0.00 0.00 0.00 51.96 53.74 1fba s ALA 296 Cb -0.03 -3.62 0.10 0.00 0.00 0.00 0.00 23.12 19.57 1fba s ALA 296 CO 0.05 -1.07 0.06 -0.51 0.00 0.00 0.00 175.76 174.29 1fba s LEU 297 N -1.90 4.65 0.00 0.00 1.43 -1.26 -1.13 118.68 120.47 1fba s LEU 297 Ca 0.54 -2.17 0.00 0.00 -1.03 0.00 0.00 54.13 51.47 1fba s LEU 297 Cb -0.47 -1.60 0.00 0.00 0.03 0.00 0.00 46.19 44.15 1fba s LEU 297 CO 0.62 -0.38 0.00 1.07 0.23 0.00 0.00 176.35 177.89 1fba n THR 298 N 4.23 0.00 -4.38 5.49 5.66 0.31 -4.64 114.28 120.94 1fba n THR 298 Ca 0.04 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.76 1fba n THR 298 Cb 0.42 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 69.07 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 -0.29 2.35 -0.40 1.09 -0.71 -1.26 -0.88 117.98 117.88 1fba s PHE 299 Ca 0.00 -0.35 0.03 0.00 -1.04 0.00 0.00 56.93 55.57 1fba s PHE 299 Cb 0.00 -1.23 0.16 0.00 -1.21 0.00 0.00 43.02 40.74 1fba s PHE 299 CO 0.00 0.40 0.36 0.45 -1.34 0.00 0.00 175.22 175.10 1fba s SER 300 N -2.30 1.35 -0.04 1.98 0.15 -0.16 -0.36 113.70 114.33 1fba s SER 300 Ca 0.17 -2.49 0.01 0.00 0.70 0.00 0.00 55.95 54.34 1fba s SER 300 Cb -0.09 0.01 -0.03 0.00 -1.71 0.00 0.00 66.02 64.19 1fba s SER 300 CO 0.08 -0.20 -0.06 -0.31 1.20 0.00 0.00 173.24 173.96 1fba s TYR 301 N 0.58 2.95 0.00 3.44 2.02 -0.75 -4.35 117.35 121.25 1fba s TYR 301 Ca 0.27 0.02 0.00 0.00 -0.37 0.00 0.00 57.07 56.99 1fba s TYR 301 Cb -0.05 -1.68 0.00 0.00 -0.40 0.00 0.00 41.96 39.83 1fba s TYR 301 CO -0.11 0.37 0.00 0.41 -1.57 0.00 0.00 175.55 174.65 1fba n GLY 302 N 1.91 0.26 0.37 0.71 0.00 -1.26 -0.70 105.19 106.48 1fba n GLY 302 Ca -0.17 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.01 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 0.30 0.00 1.61 3.08 -1.96 -1.22 114.38 116.19 1fba h ARG 303 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1fba h ARG 303 Cb 0.00 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 29.98 1fba h ARG 303 CO 0.00 0.20 0.00 0.00 -1.07 0.00 0.00 179.97 179.10 1fba n ALA 304 N -2.55 1.97 0.24 0.04 0.00 -1.26 -1.57 120.51 117.37 1fba n ALA 304 Ca 0.12 -0.04 0.05 0.00 0.00 0.00 0.00 53.44 53.56 1fba n ALA 304 Cb 0.50 -1.37 0.06 0.00 0.00 0.00 0.00 19.45 18.64 1fba n ALA 304 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1fba n LEU 305 N -1.74 2.03 0.00 0.00 4.77 -0.49 -4.65 117.00 116.92 1fba n LEU 305 Ca 0.05 -1.27 0.00 0.00 -0.03 0.00 0.00 56.01 54.76 1fba n LEU 305 Cb 0.27 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 1fba n LEU 305 CO 0.21 0.44 -0.00 0.00 -1.33 0.00 0.00 177.39 176.71 1fba n GLN 306 N 0.46 1.89 -0.07 3.23 6.02 -1.01 -4.75 117.38 123.15 1fba n GLN 306 Ca 0.06 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.96 1fba n GLN 306 Cb 0.27 -0.14 -0.03 0.00 1.02 0.00 0.00 30.24 31.36 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 0.00 0.34 0.00 -1.58 0.00 -1.56 -1.48 119.26 114.98 1fba h ALA 307 Ca 0.00 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 1fba h ALA 307 Cb 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1fba h ALA 307 CO 0.00 -0.15 -0.58 0.77 0.00 0.00 0.00 179.25 179.29 1fba h SER 308 N 0.33 0.00 0.33 0.00 0.02 -1.89 -2.15 113.55 110.19 1fba h SER 308 Ca 0.10 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.03 1fba h SER 308 Cb 0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1fba h SER 308 CO -0.02 0.58 -0.16 0.58 -1.14 0.00 0.00 176.83 176.67 1fba h VAL 309 N 0.00 0.69 -0.56 2.27 2.07 -1.73 -1.34 116.25 117.65 1fba h VAL 309 Ca -0.01 -0.20 0.05 0.00 0.82 0.00 0.00 66.70 67.36 1fba h VAL 309 Cb 1.10 0.80 -0.05 0.00 -1.52 0.00 0.00 31.29 31.63 1fba h VAL 309 CO 0.07 0.04 0.29 -0.07 0.02 0.00 0.00 177.57 177.93 1fba h LEU 310 N -0.55 0.42 -0.11 2.57 3.38 -1.20 -0.30 115.31 119.52 1fba h LEU 310 Ca -0.05 0.03 0.02 0.00 0.09 0.00 0.00 57.88 57.97 1fba h LEU 310 Cb 0.41 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1fba h LEU 310 CO 0.07 0.29 0.00 -0.09 0.09 0.00 0.00 178.44 178.80 1fba h ARG 311 N 0.56 0.04 -0.31 1.13 2.43 -1.35 -1.52 114.38 115.37 1fba h ARG 311 Ca 0.25 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.40 1fba h ARG 311 Cb 0.15 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 1fba h ARG 311 CO -0.17 0.03 0.12 0.00 -1.51 0.00 0.00 179.97 178.43 1fba h ALA 312 N 1.09 0.40 0.86 2.80 0.00 -0.84 -3.27 119.26 120.30 1fba h ALA 312 Ca 0.05 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1fba h ALA 312 Cb 0.05 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.73 1fba h ALA 312 CO -0.08 0.00 -0.41 2.35 0.00 0.00 0.00 179.25 181.11 1fba h TRP 313 N 0.34 -1.07 -0.82 0.00 7.01 -0.99 -3.43 115.95 116.99 1fba h TRP 313 Ca 0.10 -0.03 -0.35 0.00 2.11 0.00 0.00 58.89 60.72 1fba h TRP 313 Cb 0.20 0.35 -0.14 0.00 -2.10 0.00 0.00 29.16 27.47 1fba h TRP 313 CO -0.00 -0.66 -0.32 0.00 -2.79 0.00 0.00 178.44 174.67 1fba n ALA 314 N -2.65 -0.26 -0.50 2.65 0.00 -0.58 -2.12 120.51 117.05 1fba n ALA 314 Ca -0.15 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1fba n ALA 314 Cb 0.46 -1.81 0.00 0.00 0.00 0.00 0.00 19.45 18.10 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 -0.79 1.26 3.71 0.00 0.00 -1.26 -4.91 105.19 103.20 1fba n GLY 315 Ca -0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.28 4.31 0.35 1.61 1.02 -0.90 -4.96 119.74 120.89 1fba s LYS 316 Ca 0.00 0.49 0.06 0.00 0.02 0.00 0.00 55.97 56.54 1fba s LYS 316 Cb 0.00 -3.47 0.72 0.00 -0.52 0.00 0.00 37.83 34.56 1fba s LYS 316 CO 0.00 0.07 1.92 -0.22 -0.92 0.00 0.00 175.35 176.20 1fba h LYS 317 N 6.91 0.78 -0.44 1.68 1.63 -1.95 -1.37 116.57 123.80 1fba h LYS 317 Ca -0.39 -0.05 -0.00 0.00 -0.85 0.00 0.00 60.65 59.36 1fba h LYS 317 Cb 1.17 -0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 32.61 1fba h LYS 317 CO 0.75 0.51 0.27 0.93 -3.45 0.00 0.00 179.45 178.47 1fba h GLU 318 N 0.80 0.59 0.00 1.90 3.07 -1.93 -3.06 114.58 115.95 1fba h GLU 318 Ca 0.38 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 59.19 1fba h GLU 318 Cb 0.40 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 28.18 1fba h GLU 318 CO -0.15 0.43 0.00 0.09 -1.40 0.00 0.00 179.01 177.98 1fba n ASN 319 N -4.75 0.00 -0.09 1.42 5.03 -0.52 -4.06 115.26 112.30 1fba n ASN 319 Ca 0.01 -0.99 -0.07 0.00 0.87 0.00 0.00 54.58 54.40 1fba n ASN 319 Cb 0.05 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.81 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 0.00 0.92 -0.40 2.41 2.04 -1.60 -2.15 117.51 118.73 1fba h ILE 320 Ca 0.00 -0.08 -0.08 0.00 1.00 0.00 0.00 64.86 65.69 1fba h ILE 320 Cb 0.00 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 1fba h ILE 320 CO 0.00 0.04 -0.10 0.00 0.00 0.00 0.00 178.15 178.10 1fba h ALA 321 N 1.19 1.07 -0.50 1.87 0.00 -1.87 -1.92 119.26 119.11 1fba h ALA 321 Ca 0.14 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1fba h ALA 321 Cb 0.10 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1fba h ALA 321 CO -0.14 0.57 0.20 0.00 0.00 0.00 0.00 179.25 179.88 1fba h ALA 322 N 1.25 0.65 0.08 0.00 0.00 -1.79 -1.50 119.26 117.95 1fba h ALA 322 Ca 0.11 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1fba h ALA 322 Cb 0.55 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1fba h ALA 322 CO 0.03 0.26 -0.04 0.78 0.00 0.00 0.00 179.25 180.29 1fba h GLY 323 N 0.67 -0.11 1.23 0.00 0.00 -1.13 -2.72 103.07 101.01 1fba h GLY 323 Ca 0.17 0.04 0.07 0.00 0.00 0.00 0.00 47.33 47.60 1fba h GLY 323 CO -0.01 -0.04 0.36 1.46 0.00 0.00 0.00 176.54 178.31 1fba h GLN 324 N -0.34 0.45 -0.41 4.80 4.20 -1.30 -1.59 115.11 120.93 1fba h GLN 324 Ca -0.01 -0.03 -0.15 0.00 0.06 0.00 0.00 58.65 58.52 1fba h GLN 324 Cb 0.29 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 1fba h GLN 324 CO 0.02 0.30 -0.35 -0.91 -0.67 0.00 0.00 178.83 177.22 1fba h ASN 325 N 0.47 1.01 -0.49 1.46 2.35 -1.14 -1.39 115.58 117.85 1fba h ASN 325 Ca 0.24 -0.45 -0.03 0.00 -0.55 0.00 0.00 56.30 55.50 1fba h ASN 325 Cb 0.33 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.39 1fba h ASN 325 CO -0.06 1.25 0.21 -0.33 -1.65 0.00 0.00 177.43 176.85 1fba h GLU 326 N 0.79 0.78 -0.21 0.81 4.39 -1.00 -1.17 114.58 118.97 1fba h GLU 326 Ca 0.07 -0.12 -0.04 0.00 0.34 0.00 0.00 59.36 59.61 1fba h GLU 326 Cb 0.94 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.45 1fba h GLU 326 CO 0.09 0.65 -0.03 1.25 -1.16 0.00 0.00 179.01 179.81 1fba h LEU 327 N 0.77 0.39 -1.02 1.33 5.85 -1.10 -2.30 115.31 119.23 1fba h LEU 327 Ca 0.18 -0.34 -0.02 0.00 0.84 0.00 0.00 57.88 58.54 1fba h LEU 327 Cb 0.16 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.05 1fba h LEU 327 CO -0.02 0.64 0.43 -0.07 -0.34 0.00 0.00 178.44 179.09 1fba h LEU 328 N 0.13 1.01 0.46 2.25 3.38 -1.00 -0.50 115.31 121.03 1fba h LEU 328 Ca 0.06 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1fba h LEU 328 Cb 0.46 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 1fba h LEU 328 CO 0.02 0.81 -0.25 0.11 0.09 0.00 0.00 178.44 179.22 1fba h LYS 329 N 1.13 -0.63 -0.29 1.13 1.57 -1.08 -2.00 116.57 116.40 1fba h LYS 329 Ca 0.28 0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 58.99 1fba h LYS 329 Cb 0.04 0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 1fba h LYS 329 CO -0.04 -0.42 -0.31 0.00 -0.57 0.00 0.00 179.45 178.10 1fba h ARG 330 N -0.65 0.62 -0.51 3.15 2.47 -1.30 -2.20 114.38 115.96 1fba h ARG 330 Ca -0.06 -0.28 -0.01 0.00 -1.26 0.00 0.00 59.98 58.38 1fba h ARG 330 Cb 0.52 -0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.80 1fba h ARG 330 CO 0.08 0.86 0.29 0.00 0.56 0.00 0.00 179.97 181.76 1fba h ALA 331 N 1.13 0.65 -0.54 0.04 0.00 -1.04 -0.76 119.26 118.73 1fba h ALA 331 Ca 0.06 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1fba h ALA 331 Cb 0.80 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1fba h ALA 331 CO 0.07 0.16 0.14 -0.22 0.00 0.00 0.00 179.25 179.40 1fba h LYS 332 N 0.68 0.86 -0.64 0.00 1.63 -1.29 0.75 116.57 118.55 1fba h LYS 332 Ca 0.18 -0.20 -0.03 0.00 -0.85 0.00 0.00 60.65 59.75 1fba h LYS 332 Cb 0.02 -0.12 -0.03 0.00 -0.60 0.00 0.00 32.23 31.51 1fba h LYS 332 CO -0.03 0.80 0.27 0.00 -3.45 0.00 0.00 179.45 177.04 1fba h ALA 333 N 1.02 0.83 -0.23 5.00 0.00 -1.07 -0.99 119.26 123.83 1fba h ALA 333 Ca 0.17 -0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.76 1fba h ALA 333 Cb 0.32 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1fba h ALA 333 CO -0.00 0.44 -0.51 -0.91 0.00 0.00 0.00 179.25 178.26 1fba h ASN 334 N 0.90 0.72 -0.95 0.00 2.35 -1.02 -0.86 115.58 116.71 1fba h ASN 334 Ca 0.22 -0.37 0.07 0.00 -0.55 0.00 0.00 56.30 55.67 1fba h ASN 334 Cb 0.18 -0.20 -0.07 0.00 0.05 0.00 0.00 38.32 38.28 1fba h ASN 334 CO -0.02 1.10 0.61 1.23 -1.65 0.00 0.00 177.43 178.69 1fba h GLY 335 N 0.97 1.46 1.00 2.83 0.00 -0.41 0.96 103.07 109.87 1fba h GLY 335 Ca 0.02 -0.44 -0.12 0.00 0.00 0.00 0.00 47.33 46.79 1fba h GLY 335 CO 0.10 0.29 -0.26 -0.55 0.00 0.00 0.00 176.54 176.12 1fba h ASP 336 N 1.09 0.80 -0.68 0.19 3.32 -0.85 -3.10 116.42 117.19 1fba h ASP 336 Ca 0.42 -0.45 -0.02 0.00 0.02 0.00 0.00 57.03 57.00 1fba h ASP 336 Cb 0.20 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.50 1fba h ASP 336 CO -0.18 1.08 0.34 0.00 -1.72 0.00 0.00 179.24 178.76 1fba h ALA 337 N 0.74 1.28 0.00 3.45 0.00 -0.61 0.11 119.26 124.23 1fba h ALA 337 Ca 0.06 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1fba h ALA 337 Cb 0.83 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1fba h ALA 337 CO 0.07 0.56 0.00 0.00 0.00 0.00 0.00 179.25 179.88 1fba n ALA 338 N -2.44 1.24 0.17 0.00 0.00 0.28 -0.44 120.51 119.33 1fba n ALA 338 Ca 0.07 0.14 0.06 0.00 0.00 0.00 0.00 53.44 53.70 1fba n ALA 338 Cb 0.13 -1.31 0.10 0.00 0.00 0.00 0.00 19.45 18.37 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 -2.17 1.61 -1.54 0.00 6.02 -0.43 -4.76 117.38 116.12 1fba n GLN 339 Ca -0.00 -1.57 -0.06 0.00 -0.01 0.00 0.00 57.00 55.36 1fba n GLN 339 Cb 0.09 -1.24 -0.02 0.00 1.02 0.00 0.00 30.24 30.10 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 0.58 0.54 0.46 1.08 0.00 0.41 -4.94 105.19 103.32 1fba n GLY 340 Ca 0.09 -0.74 0.05 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.32 2.76 -2.74 1.61 5.02 0.25 -4.87 118.16 117.86 1fba n LYS 341 Ca -0.06 -2.10 -0.42 0.00 -2.02 0.00 0.00 58.31 53.71 1fba n LYS 341 Cb 0.33 -1.33 -0.03 0.00 -0.02 0.00 0.00 35.03 33.98 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 -1.52 3.68 -0.32 2.13 5.04 -1.24 -4.82 117.35 120.30 1fba s TYR 342 Ca 0.21 1.68 -0.18 0.00 -2.44 0.00 0.00 57.07 56.34 1fba s TYR 342 Cb 0.14 -3.08 -0.01 0.00 0.35 0.00 0.00 41.96 39.36 1fba s TYR 342 CO 0.09 0.04 0.54 0.08 -1.34 0.00 0.00 175.55 174.96 1fba s VAL 343 N 0.79 5.01 0.14 3.14 1.01 -1.26 -4.99 120.40 124.24 1fba s VAL 343 Ca 0.50 0.60 -0.35 0.00 0.00 0.00 0.00 61.98 62.73 1fba s VAL 343 Cb -0.21 -3.93 -0.15 0.00 0.00 0.00 0.00 36.38 32.08 1fba s VAL 343 CO 0.28 -0.12 1.40 0.00 0.00 0.00 0.00 175.10 176.66 1fba n ALA 345 N 5.72 0.00 -0.65 5.51 0.00 -1.26 -1.24 120.51 128.60 1fba n ALA 345 Ca -0.04 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.88 1fba n ALA 345 Cb 0.49 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.77 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 2.70 1.19 0.24 0.00 0.00 -1.26 -4.89 105.19 103.17 1fba n GLY 346 Ca 0.17 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.30 1fba n GLY 346 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1fba h SER 347 N 0.00 0.00 -0.51 1.61 4.64 -1.60 -2.18 113.55 115.52 1fba h SER 347 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1fba h SER 347 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1fba h SER 347 CO 0.00 0.19 0.00 0.00 -0.87 0.00 0.00 176.83 176.15 1fba n ALA 348 N -2.27 2.40 0.00 5.18 0.00 -1.26 -5.06 120.51 119.50 1fba n ALA 348 Ca -0.01 -1.10 0.00 0.00 0.00 0.00 0.00 53.44 52.33 1fba n ALA 348 Cb 0.33 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 18.90 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 1.54 1.98 0.20 0.00 0.00 -0.82 -4.77 105.19 103.32 1fba n GLY 349 Ca 0.21 -1.95 0.03 0.00 0.00 0.00 0.00 46.02 44.31 1fba n GLY 349 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fba h ALA 351 N 0.00 1.46 -0.11 4.61 0.00 -1.98 -3.44 119.26 119.80 1fba h ALA 351 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1fba h ALA 351 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1fba h ALA 351 CO 0.00 0.40 0.00 0.41 0.00 0.00 0.00 179.25 180.06 1fba n GLY 352 N -0.62 0.62 2.64 0.00 0.00 -1.26 -4.37 105.19 102.20 1fba n GLY 352 Ca -0.02 -0.86 -0.14 0.00 0.00 0.00 0.00 46.02 45.00 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 3.88 1.28 -1.94 1.61 3.41 -1.26 -5.04 113.62 115.56 1fba n SER 353 Ca 0.00 -1.96 0.00 0.00 -0.26 0.00 0.00 58.87 56.65 1fba n SER 353 Cb 0.00 -0.33 0.00 0.00 -0.26 0.00 0.00 64.21 63.62 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 0.09 0.12 3.71 5.00 0.00 -1.26 -4.56 105.19 108.30 1fba n GLY 354 Ca 0.11 -1.81 -0.42 0.00 0.00 0.00 0.00 46.02 43.90 1fba n GLY 354 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1fba s SER 355 N -1.00 6.97 -0.51 1.61 0.15 -1.26 -4.28 113.70 115.38 1fba s SER 355 Ca 0.00 2.16 0.02 0.00 0.70 0.00 0.00 55.95 58.83 1fba s SER 355 Cb 0.00 -2.58 0.54 0.00 -1.71 0.00 0.00 66.02 62.27 1fba s SER 355 CO 0.00 -0.54 1.85 0.18 1.20 0.00 0.00 173.24 175.93 1fba n LEU 356 N 3.88 6.68 -4.73 3.45 4.77 -1.07 -4.95 117.00 125.03 1fba n LEU 356 Ca 0.10 -4.02 -0.38 0.00 -0.03 0.00 0.00 56.01 51.68 1fba n LEU 356 Cb 0.45 -0.83 -0.06 0.00 -2.33 0.00 0.00 43.42 40.64 1fba n LEU 356 CO 0.57 1.35 0.19 0.12 -1.33 0.00 0.00 177.39 178.28 1fba s PHE 357 N -3.55 3.53 -0.07 -1.77 5.36 -1.19 -4.49 117.98 115.79 1fba s PHE 357 Ca 0.58 0.93 -0.01 0.00 -0.96 0.00 0.00 56.93 57.47 1fba s PHE 357 Cb 0.48 -2.56 0.03 0.00 -0.34 0.00 0.00 43.02 40.62 1fba s PHE 357 CO 0.04 0.19 -0.02 0.08 -1.46 0.00 0.00 175.22 174.05 1fba s VAL 358 N 0.54 0.50 0.92 3.12 1.01 -1.26 -5.08 120.40 120.15 1fba s VAL 358 Ca 0.27 0.01 -0.12 0.00 0.00 0.00 0.00 61.98 62.14 1fba s VAL 358 Cb -0.15 -0.62 0.14 0.00 0.00 0.00 0.00 36.38 35.75 1fba s VAL 358 CO 0.11 0.27 1.10 0.00 0.00 0.00 0.00 175.10 176.58 1fba s ALA 359 N 1.73 1.46 -0.25 5.51 0.00 -1.26 -4.79 121.76 124.16 1fba s ALA 359 Ca 0.02 -0.18 -0.10 0.00 0.00 0.00 0.00 51.96 51.70 1fba s ALA 359 Cb -0.13 -3.15 0.01 0.00 0.00 0.00 0.00 23.12 19.85 1fba s ALA 359 CO -0.05 -2.42 0.22 0.09 0.00 0.00 0.00 175.76 173.60 1fba n ASN 360 N -3.92 -7.06 0.02 0.00 3.02 -1.26 -4.98 115.26 101.09 1fba n ASN 360 Ca 0.06 0.65 0.03 0.00 -0.03 0.00 0.00 54.58 55.29 1fba n ASN 360 Cb 0.56 -3.39 -0.09 0.00 -0.61 0.00 0.00 39.78 36.25 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 0.58 0.67 -3.13 3.10 8.25 -1.26 -4.75 115.22 118.68 1fba n HIS 361 Ca 0.00 0.22 -0.45 0.00 -0.26 0.00 0.00 57.72 57.23 1fba n HIS 361 Cb 0.37 -0.94 -0.04 0.00 1.12 0.00 0.00 29.99 30.50 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 -3.08 3.49 0.00 -1.41 0.00 -1.26 -4.95 121.76 114.55 1fba s ALA 362 Ca -0.04 -2.40 0.00 0.00 0.00 0.00 0.00 51.96 49.52 1fba s ALA 362 Cb 0.10 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.66 1fba s ALA 362 CO 0.83 -2.38 0.00 0.66 0.00 0.00 0.00 175.76 174.87