#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 0.40 -3.26 12.58 -2.24 -1.26 -4.76 114.28 115.74 1fba n THR 2 Ca 0.00 -0.59 -0.44 0.00 -2.27 0.00 0.00 64.05 60.75 1fba n THR 2 Cb 0.00 -0.16 -0.07 0.00 -2.10 0.00 0.00 70.33 68.01 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 -3.25 3.13 0.29 4.78 2.02 -1.26 -5.00 117.35 118.05 1fba s TYR 3 Ca -0.08 -0.69 -0.19 0.00 -0.37 0.00 0.00 57.07 55.74 1fba s TYR 3 Cb 0.12 -3.36 0.02 0.00 -0.40 0.00 0.00 41.96 38.34 1fba s TYR 3 CO 0.88 -0.92 0.69 -0.59 -1.57 0.00 0.00 175.55 174.04 1fba s PHE 4 N 2.21 -0.08 -0.16 2.71 -0.71 -1.26 -5.17 117.98 115.52 1fba s PHE 4 Ca 0.10 -0.39 -0.02 0.00 -1.04 0.00 0.00 56.93 55.58 1fba s PHE 4 Cb -0.21 0.65 -0.02 0.00 -1.21 0.00 0.00 43.02 42.23 1fba s PHE 4 CO 0.10 -1.24 -0.07 -0.80 -1.34 0.00 0.00 175.22 171.86 1fba s ASN 5 N -2.95 4.39 0.73 1.98 0.01 -1.26 -5.11 114.94 112.72 1fba s ASN 5 Ca 0.13 -0.26 -0.12 0.00 -0.71 0.00 0.00 52.86 51.89 1fba s ASN 5 Cb -0.05 -1.71 0.03 0.00 0.41 0.00 0.00 41.25 39.93 1fba s ASN 5 CO 0.08 0.12 1.10 -0.31 -1.51 0.00 0.00 177.10 176.58 1fba s TYR 6 N 0.62 2.60 0.87 2.20 2.02 -1.26 -5.02 117.35 119.38 1fba s TYR 6 Ca -0.04 1.55 -0.11 0.00 -0.37 0.00 0.00 57.07 58.10 1fba s TYR 6 Cb -0.15 -3.10 0.12 0.00 -0.40 0.00 0.00 41.96 38.44 1fba s TYR 6 CO 0.03 -1.75 1.17 -2.14 -1.57 0.00 0.00 175.55 171.28 1fba s PRO 7 N -4.58 1.27 0.79 -1.71 0.02 -1.26 -4.95 135.00 124.58 1fba s PRO 7 Ca 0.63 1.64 -0.14 0.00 0.02 0.00 0.00 61.00 63.15 1fba s PRO 7 Cb -0.18 -1.75 0.05 0.00 0.02 0.00 0.00 34.50 32.64 1fba s PRO 7 CO 0.50 -2.47 0.98 -1.13 -0.33 0.00 0.00 177.00 174.56 1fba n SER 8 N -3.85 0.31 -0.28 2.53 3.41 -1.26 -4.74 113.62 109.73 1fba n SER 8 Ca 0.13 0.58 0.04 0.00 -0.26 0.00 0.00 58.87 59.35 1fba n SER 8 Cb 0.51 -1.42 0.25 0.00 -0.26 0.00 0.00 64.21 63.30 1fba n SER 8 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1fba h LYS 9 N -0.77 0.97 -0.47 4.33 3.64 -2.00 -1.00 116.57 121.27 1fba h LYS 9 Ca -0.46 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 58.83 1fba h LYS 9 Cb 1.31 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 32.89 1fba h LYS 9 CO 0.44 0.65 0.17 0.93 -2.27 0.00 0.00 179.45 179.37 1fba h GLU 10 N 1.00 0.72 -0.44 1.90 3.07 -2.00 -2.01 114.58 116.82 1fba h GLU 10 Ca 0.37 -0.14 -0.10 0.00 -0.50 0.00 0.00 59.36 58.99 1fba h GLU 10 Cb 0.17 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 27.95 1fba h GLU 10 CO -0.13 0.66 -0.12 1.25 -1.40 0.00 0.00 179.01 179.27 1fba h LEU 11 N 0.62 0.87 -0.16 1.33 5.85 -1.77 -1.89 115.31 120.16 1fba h LEU 11 Ca 0.15 -0.37 0.05 0.00 0.84 0.00 0.00 57.88 58.56 1fba h LEU 11 Cb 0.22 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 40.95 1fba h LEU 11 CO -0.01 1.04 -0.31 1.56 -0.34 0.00 0.00 178.44 180.38 1fba h GLN 12 N 0.70 -0.35 -0.46 1.25 4.20 -1.02 -1.28 115.11 118.14 1fba h GLN 12 Ca 0.11 0.02 0.02 0.00 0.06 0.00 0.00 58.65 58.87 1fba h GLN 12 Cb 0.66 0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.49 1fba h GLN 12 CO 0.05 -0.23 0.27 -0.44 -0.67 0.00 0.00 178.83 177.80 1fba h ASP 13 N -0.37 0.42 -0.20 1.46 3.32 -1.27 -0.36 116.42 119.43 1fba h ASP 13 Ca 0.10 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 1fba h ASP 13 Cb 0.53 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 1fba h ASP 13 CO -0.36 0.30 0.10 -0.08 -1.72 0.00 0.00 179.24 177.48 1fba h GLU 14 N 0.53 0.28 -0.43 3.56 4.81 -1.07 0.18 114.58 122.45 1fba h GLU 14 Ca 0.19 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.33 1fba h GLU 14 Cb 0.03 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 1fba h GLU 14 CO -0.09 0.30 0.08 -0.07 -0.73 0.00 0.00 179.01 178.50 1fba h LEU 15 N 0.19 0.67 -0.48 1.64 3.38 -1.11 -2.08 115.31 117.52 1fba h LEU 15 Ca 0.07 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 1fba h LEU 15 Cb 0.11 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1fba h LEU 15 CO -0.01 0.75 0.24 -0.09 0.09 0.00 0.00 178.44 179.42 1fba h ARG 16 N 0.56 0.69 -0.28 1.13 2.43 -0.97 -1.92 114.38 116.01 1fba h ARG 16 Ca 0.13 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1fba h ARG 16 Cb 0.36 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 1fba h ARG 16 CO 0.01 0.57 0.18 1.49 -1.51 0.00 0.00 179.97 180.70 1fba h GLU 17 N 0.63 0.38 -0.36 0.20 4.81 -0.81 -1.02 114.58 118.42 1fba h GLU 17 Ca 0.17 -0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.41 1fba h GLU 17 Cb 0.10 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.36 1fba h GLU 17 CO -0.02 0.28 0.11 0.82 -0.73 0.00 0.00 179.01 179.47 1fba h ILE 18 N 0.37 0.88 -0.55 2.32 2.04 -1.29 -1.59 117.51 119.69 1fba h ILE 18 Ca 0.10 -0.09 0.03 0.00 1.00 0.00 0.00 64.86 65.90 1fba h ILE 18 Cb -0.01 0.60 -0.04 0.00 -0.74 0.00 0.00 36.82 36.64 1fba h ILE 18 CO -0.02 0.05 0.33 0.00 0.00 0.00 0.00 178.15 178.51 1fba h ALA 19 N 1.24 0.70 -0.74 1.87 0.00 -1.13 -1.70 119.26 119.50 1fba h ALA 19 Ca 0.17 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1fba h ALA 19 Cb 0.15 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1fba h ALA 19 CO -0.18 0.05 0.32 1.96 0.00 0.00 0.00 179.25 181.40 1fba h GLN 20 N 0.65 1.09 -0.82 0.00 4.20 -0.97 -2.67 115.11 116.60 1fba h GLN 20 Ca 0.22 -0.18 -0.04 0.00 0.06 0.00 0.00 58.65 58.71 1fba h GLN 20 Cb 0.02 -0.19 -0.04 0.00 0.30 0.00 0.00 27.48 27.58 1fba h GLN 20 CO -0.10 0.88 0.35 0.87 -0.67 0.00 0.00 178.83 180.16 1fba h LYS 21 N 1.06 1.21 -0.61 1.46 1.57 -0.84 -2.35 116.57 118.07 1fba h LYS 21 Ca 0.25 -0.20 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 1fba h LYS 21 Cb 0.17 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 1fba h LYS 21 CO -0.03 0.96 0.31 0.82 -0.57 0.00 0.00 179.45 180.95 1fba h ILE 22 N 1.18 1.19 -0.61 1.86 2.04 -0.99 -2.93 117.51 119.26 1fba h ILE 22 Ca 0.28 -0.50 -0.23 0.00 1.00 0.00 0.00 64.86 65.40 1fba h ILE 22 Cb 0.18 0.39 -0.14 0.00 -0.74 0.00 0.00 36.82 36.51 1fba h ILE 22 CO -0.03 0.22 0.21 1.33 0.00 0.00 0.00 178.15 179.88 1fba n VAL 23 N -4.37 2.78 -1.62 1.67 0.24 -1.08 -4.35 118.33 111.60 1fba n VAL 23 Ca 0.06 -2.05 -0.38 0.00 -2.04 0.00 0.00 64.34 59.93 1fba n VAL 23 Cb 0.11 -0.35 0.05 0.00 -1.47 0.00 0.00 33.84 32.18 1fba n VAL 23 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1fba n ALA 24 N -0.69 0.22 -1.61 2.33 0.00 -0.91 -4.82 120.51 115.03 1fba n ALA 24 Ca 0.40 0.01 -0.52 0.00 0.00 0.00 0.00 53.44 53.32 1fba n ALA 24 Cb 1.27 -2.12 -0.06 0.00 0.00 0.00 0.00 19.45 18.54 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 -1.02 1.20 -0.92 0.00 -0.02 -1.26 -1.23 135.00 131.75 1fba n PRO 25 Ca 0.14 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 1fba n PRO 25 Cb 0.47 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 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 2.73 0.81 3.48 -1.23 0.00 -1.26 -5.04 105.19 104.69 1fba n GLY 26 Ca 0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.08 1.75 0.20 1.61 1.02 -0.37 -4.25 119.74 119.63 1fba s LYS 27 Ca 0.00 -1.36 -0.03 0.00 0.02 0.00 0.00 55.97 54.61 1fba s LYS 27 Cb 0.00 -2.01 0.01 0.00 -0.52 0.00 0.00 37.83 35.31 1fba s LYS 27 CO 0.00 0.43 0.30 0.41 -0.92 0.00 0.00 175.35 175.57 1fba n GLY 28 N 0.33 2.32 3.73 -3.33 0.00 -0.27 -4.63 105.19 103.34 1fba n GLY 28 Ca -0.13 -1.43 -0.34 0.00 0.00 0.00 0.00 46.02 44.12 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 -2.62 4.50 -0.36 -0.61 1.01 0.13 -1.09 121.20 122.16 1fba s ILE 29 Ca 0.14 -0.31 -0.10 0.00 0.00 0.00 0.00 60.65 60.38 1fba s ILE 29 Cb -0.01 -2.96 0.02 0.00 0.01 0.00 0.00 42.46 39.52 1fba s ILE 29 CO 0.10 0.50 0.19 -0.22 0.00 0.00 0.00 174.94 175.51 1fba s LEU 30 N -1.24 4.56 -0.55 2.97 2.96 -0.88 -1.38 118.68 125.12 1fba s LEU 30 Ca 0.17 -0.88 -0.25 0.00 -0.22 0.00 0.00 54.13 52.95 1fba s LEU 30 Cb -0.12 -2.01 0.04 0.00 0.50 0.00 0.00 46.19 44.60 1fba s LEU 30 CO 0.07 -0.34 0.96 0.00 -1.32 0.00 0.00 176.35 175.72 1fba s ALA 31 N 1.56 3.15 -0.33 5.97 0.00 0.09 -1.61 121.76 130.59 1fba s ALA 31 Ca 0.03 -1.18 0.07 0.00 0.00 0.00 0.00 51.96 50.88 1fba s ALA 31 Cb -0.19 -3.75 0.46 0.00 0.00 0.00 0.00 23.12 19.64 1fba s ALA 31 CO 0.06 -2.39 1.33 0.00 0.00 0.00 0.00 175.76 174.77 1fba n ALA 32 N 7.52 4.94 -0.89 0.00 0.00 0.16 -4.29 120.51 127.95 1fba n ALA 32 Ca 0.03 -3.62 -0.06 0.00 0.00 0.00 0.00 53.44 49.78 1fba n ALA 32 Cb 0.48 -0.56 0.28 0.00 0.00 0.00 0.00 19.45 19.65 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 -0.84 4.64 -4.73 0.00 5.75 -1.05 -4.14 116.55 116.18 1fba n ASP 33 Ca 0.42 -3.14 -0.42 0.00 -0.01 0.00 0.00 54.79 51.64 1fba n ASP 33 Cb 0.90 -0.74 -0.03 0.00 -1.03 0.00 0.00 41.12 40.23 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 -2.82 4.24 0.81 0.11 8.01 -1.26 -4.38 118.70 123.40 1fba s GLU 34 Ca 0.51 2.32 -0.11 0.00 0.01 0.00 0.00 54.97 57.70 1fba s GLU 34 Cb 0.41 -3.14 0.07 0.00 -4.31 0.00 0.00 34.13 27.16 1fba s GLU 34 CO 0.13 -0.53 1.10 -1.54 0.01 0.00 0.00 175.26 174.42 1fba s SER 35 N 0.86 4.42 0.08 -0.19 1.04 -1.26 -4.68 113.70 113.97 1fba s SER 35 Ca 0.66 1.30 -0.16 0.00 0.48 0.00 0.00 55.95 58.23 1fba s SER 35 Cb -0.43 -2.03 -0.04 0.00 0.10 0.00 0.00 66.02 63.63 1fba s SER 35 CO 0.36 -2.02 1.26 0.61 0.98 0.00 0.00 173.24 174.43 1fba n GLY 36 N -2.06 -2.78 0.25 7.32 0.00 -1.26 0.21 105.19 106.87 1fba n GLY 36 Ca 0.07 0.89 -0.06 0.00 0.00 0.00 0.00 46.02 46.93 1fba n GLY 36 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1fba h PRO 37 N 0.00 -0.13 -0.34 1.61 0.11 -1.98 0.39 132.00 131.65 1fba h PRO 37 Ca 0.08 0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.19 1fba h PRO 37 Cb 0.22 0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.34 1fba h PRO 37 CO -0.50 -0.09 0.15 1.15 -0.21 0.00 0.00 178.00 178.51 1fba h THR 38 N -0.14 1.18 -0.79 -1.15 2.02 -1.76 -1.60 112.91 110.67 1fba h THR 38 Ca 0.19 -0.52 0.02 0.00 0.77 0.00 0.00 66.41 66.87 1fba h THR 38 Cb 0.43 0.88 -0.04 0.00 -1.74 0.00 0.00 68.15 67.68 1fba h THR 38 CO -0.48 0.19 0.52 -0.03 0.37 0.00 0.00 175.52 176.09 1fba h MET 39 N 0.41 0.99 -0.98 6.66 -1.53 0.40 -1.69 114.93 119.19 1fba h MET 39 Ca 0.12 -0.06 0.02 0.00 -3.44 0.00 0.00 59.70 56.34 1fba h MET 39 Cb 0.15 -0.22 -0.05 0.00 -0.55 0.00 0.00 31.60 30.93 1fba h MET 39 CO -0.01 0.66 0.65 0.78 0.14 0.00 0.00 176.91 179.12 1fba h GLY 40 N 1.02 1.40 0.99 1.39 0.00 0.49 0.46 103.07 108.83 1fba h GLY 40 Ca 0.30 -0.50 -0.01 0.00 0.00 0.00 0.00 47.33 47.12 1fba h GLY 40 CO -0.08 0.47 0.34 1.70 0.00 0.00 0.00 176.54 178.97 1fba h LYS 41 N 1.29 0.85 -0.15 4.80 3.64 -0.39 -1.21 116.57 125.39 1fba h LYS 41 Ca 0.37 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.65 1fba h LYS 41 Cb -0.08 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.56 1fba h LYS 41 CO -0.10 0.63 0.04 0.00 -2.27 0.00 0.00 179.45 177.76 1fba h ARG 42 N 0.83 0.24 -0.55 1.90 2.47 -0.91 -2.77 114.38 115.59 1fba h ARG 42 Ca 0.22 -0.06 -0.04 0.00 -1.26 0.00 0.00 59.98 58.84 1fba h ARG 42 Cb 0.03 -0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 28.29 1fba h ARG 42 CO -0.04 0.39 0.18 -0.07 0.56 0.00 0.00 179.97 180.98 1fba h LEU 43 N 0.05 0.75 -0.48 3.04 3.38 -0.84 -2.93 115.31 118.28 1fba h LEU 43 Ca 0.05 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1fba h LEU 43 Cb 0.25 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1fba h LEU 43 CO 0.00 0.70 0.27 -0.61 0.09 0.00 0.00 178.44 178.90 1fba h GLN 44 N 0.79 0.66 -0.32 1.13 4.15 -1.10 0.87 115.11 121.30 1fba h GLN 44 Ca 0.18 -0.07 0.09 0.00 0.77 0.00 0.00 58.65 59.63 1fba h GLN 44 Cb 0.22 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.77 1fba h GLN 44 CO -0.01 0.51 0.30 -0.44 -1.93 0.00 0.00 178.83 177.26 1fba h ASP 45 N 0.63 0.00 -0.32 -0.69 5.19 -1.29 -0.93 116.42 119.01 1fba h ASP 45 Ca 0.17 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.58 1fba h ASP 45 Cb 0.03 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.54 1fba h ASP 45 CO -0.03 0.00 0.00 2.30 -3.12 0.00 0.00 179.24 178.39 1fba n ILE 46 N -3.97 0.80 -2.43 0.35 -5.35 -0.80 -4.99 119.36 102.96 1fba n ILE 46 Ca 0.05 -0.90 -0.02 0.00 -0.27 0.00 0.00 62.75 61.61 1fba n ILE 46 Cb 0.46 0.65 0.00 0.00 -1.74 0.00 0.00 39.64 39.02 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 0.66 0.68 3.37 3.28 0.00 -0.35 -4.80 105.19 108.03 1fba n GLY 47 Ca 0.12 -0.66 -0.32 0.00 0.00 0.00 0.00 46.02 45.15 1fba n GLY 47 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fba s VAL 48 N -2.76 2.72 0.15 1.61 1.01 0.24 -5.00 120.40 118.37 1fba s VAL 48 Ca 0.04 -0.82 -0.30 0.00 0.00 0.00 0.00 61.98 60.90 1fba s VAL 48 Cb -0.02 -2.07 -0.07 0.00 0.00 0.00 0.00 36.38 34.22 1fba s VAL 48 CO 0.04 0.56 1.17 -0.70 0.00 0.00 0.00 175.10 176.18 1fba s GLU 49 N -0.19 4.51 -1.05 2.72 2.12 -1.26 -3.36 118.70 122.18 1fba s GLU 49 Ca -0.01 1.80 -0.23 0.00 0.36 0.00 0.00 54.97 56.90 1fba s GLU 49 Cb -0.13 -3.28 0.01 0.00 0.26 0.00 0.00 34.13 30.99 1fba s GLU 49 CO 0.03 -0.08 1.69 1.21 -0.54 0.00 0.00 175.26 177.57 1fba s ASN 50 N 0.28 6.02 0.26 -1.70 2.47 -1.26 -4.73 114.94 116.28 1fba s ASN 50 Ca 0.53 -1.42 0.11 0.00 0.42 0.00 0.00 52.86 52.51 1fba s ASN 50 Cb -0.31 -2.57 -0.05 0.00 -1.45 0.00 0.00 41.25 36.87 1fba s ASN 50 CO 0.34 -1.97 -0.16 0.42 -3.72 0.00 0.00 177.10 172.02 1fba s THR 51 N 6.94 2.71 0.39 -5.21 -4.23 -1.26 -5.03 115.64 109.96 1fba s THR 51 Ca 0.56 -2.22 0.08 0.00 -1.18 0.00 0.00 61.69 58.94 1fba s THR 51 Cb -0.01 -2.41 0.29 0.00 1.34 0.00 0.00 72.50 71.70 1fba s THR 51 CO -0.02 -0.34 2.00 -0.08 -0.54 0.00 0.00 174.62 175.64 1fba h GLU 52 N 2.33 0.60 0.00 3.99 4.81 -1.99 -1.97 114.58 122.34 1fba h GLU 52 Ca -0.42 -0.04 -0.22 0.00 -0.13 0.00 0.00 59.36 58.55 1fba h GLU 52 Cb 1.25 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 30.46 1fba h GLU 52 CO 0.58 0.39 -1.32 0.22 -0.73 0.00 0.00 179.01 178.16 1fba h ASP 53 N 0.61 0.00 -0.00 1.04 3.58 -1.95 -1.99 116.42 117.71 1fba h ASP 53 Ca 0.25 0.00 -0.14 0.00 0.42 0.00 0.00 57.03 57.56 1fba h ASP 53 Cb 0.20 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.24 1fba h ASP 53 CO -0.07 0.86 -0.44 0.78 -2.88 0.00 0.00 179.24 177.48 1fba h ASN 54 N 0.00 0.57 -0.01 2.28 2.35 -1.78 0.41 115.58 119.41 1fba h ASN 54 Ca -0.15 -0.27 -0.11 0.00 -0.55 0.00 0.00 56.30 55.22 1fba h ASN 54 Cb 1.79 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 39.98 1fba h ASN 54 CO 0.08 0.94 -0.32 0.03 -1.65 0.00 0.00 177.43 176.52 1fba h ARG 55 N 0.43 0.47 -0.21 0.81 3.08 -1.41 -1.61 114.38 115.95 1fba h ARG 55 Ca 0.03 -0.20 -0.10 0.00 0.07 0.00 0.00 59.98 59.78 1fba h ARG 55 Cb 0.95 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.98 1fba h ARG 55 CO 0.08 0.73 -0.28 -0.09 -1.07 0.00 0.00 179.97 179.35 1fba h ARG 56 N 0.40 0.55 -1.00 0.04 2.43 -0.79 -1.61 114.38 114.41 1fba h ARG 56 Ca 0.05 -0.32 0.02 0.00 -0.81 0.00 0.00 59.98 58.92 1fba h ARG 56 Cb 0.76 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 30.28 1fba h ARG 56 CO 0.06 0.92 0.66 0.00 -1.51 0.00 0.00 179.97 180.10 1fba h ALA 57 N 0.63 1.29 -0.22 2.80 0.00 -0.05 0.33 119.26 124.04 1fba h ALA 57 Ca 0.02 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1fba h ALA 57 Cb 0.85 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1fba h ALA 57 CO 0.07 0.61 -0.18 -0.92 0.00 0.00 0.00 179.25 178.83 1fba h TYR 58 N 1.32 0.59 -0.38 0.00 3.20 -1.21 -2.10 116.97 118.40 1fba h TYR 58 Ca 0.38 -0.17 -0.09 0.00 3.14 0.00 0.00 58.73 61.99 1fba h TYR 58 Cb -0.09 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.03 1fba h TYR 58 CO -0.00 0.83 -0.13 0.00 -1.64 0.00 0.00 178.16 177.22 1fba h ARG 59 N 0.19 0.67 -0.78 1.82 2.47 -0.89 -2.40 114.38 115.46 1fba h ARG 59 Ca 0.04 -0.22 0.01 0.00 -1.26 0.00 0.00 59.98 58.56 1fba h ARG 59 Cb 0.71 -0.06 -0.04 0.00 -1.65 0.00 0.00 29.97 28.93 1fba h ARG 59 CO 0.05 0.78 0.51 0.37 0.56 0.00 0.00 179.97 182.23 1fba h GLN 60 N 0.61 1.00 0.10 0.04 4.15 -0.23 -0.90 115.11 119.87 1fba h GLN 60 Ca 0.10 -0.06 -0.00 0.00 0.77 0.00 0.00 58.65 59.46 1fba h GLN 60 Cb 0.57 -0.23 0.00 0.00 0.21 0.00 0.00 27.48 28.04 1fba h GLN 60 CO 0.04 0.66 -0.05 1.25 -1.93 0.00 0.00 178.83 178.80 1fba h LEU 61 N 1.03 -0.11 0.02 -2.39 6.46 -0.91 -1.16 115.31 118.26 1fba h LEU 61 Ca 0.29 -0.05 0.02 0.00 -0.12 0.00 0.00 57.88 58.03 1fba h LEU 61 Cb -0.09 0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 39.83 1fba h LEU 61 CO -0.07 -0.02 -0.19 -0.07 -0.62 0.00 0.00 178.44 177.46 1fba h LEU 62 N -0.19 -0.56 -0.53 2.25 3.38 -1.13 -3.08 115.31 115.45 1fba h LEU 62 Ca -0.01 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1fba h LEU 62 Cb 0.15 0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1fba h LEU 62 CO 0.02 -0.26 0.00 -0.26 0.09 0.00 0.00 178.44 178.03 1fba h PHE 63 N -0.32 0.00 -0.41 1.13 0.04 -1.11 -2.95 116.94 113.31 1fba h PHE 63 Ca 0.05 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.82 1fba h PHE 63 Cb 0.39 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.54 1fba h PHE 63 CO -0.23 0.00 0.00 -1.13 -0.60 0.00 0.00 178.31 176.35 1fba n SER 64 N -3.05 2.29 -4.75 2.17 3.41 -0.44 -4.78 113.62 108.46 1fba n SER 64 Ca 0.03 -1.97 -0.38 0.00 -0.26 0.00 0.00 58.87 56.29 1fba n SER 64 Cb 0.44 -0.27 0.03 0.00 -0.26 0.00 0.00 64.21 64.15 1fba n SER 64 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1fba s THR 65 N -1.46 2.26 0.12 6.66 2.01 -1.12 -4.90 115.64 119.22 1fba s THR 65 Ca 0.30 0.20 -0.33 0.00 0.31 0.00 0.00 61.69 62.16 1fba s THR 65 Cb 0.16 -3.10 -0.18 0.00 0.01 0.00 0.00 72.50 69.39 1fba s THR 65 CO 0.21 -0.00 0.84 -0.67 -0.69 0.00 0.00 174.62 174.30 1fba n ASP 66 N -0.92 -0.34 0.00 3.53 2.03 -1.26 -4.75 116.55 114.85 1fba n ASP 66 Ca 0.10 1.14 0.00 0.00 0.52 0.00 0.00 54.79 56.55 1fba n ASP 66 Cb 0.45 -0.98 0.00 0.00 -0.72 0.00 0.00 41.12 39.87 1fba n ASP 66 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 1fba n PRO 67 N 1.30 0.00 0.23 -0.67 -0.02 -1.26 -0.95 135.00 133.63 1fba n PRO 67 Ca 0.18 0.28 0.06 0.00 -2.02 0.00 0.00 63.50 62.01 1fba n PRO 67 Cb 0.18 -1.54 0.55 0.00 -0.02 0.00 0.00 33.50 32.68 1fba n PRO 67 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1fba h LYS 68 N 0.00 0.02 -0.91 -0.52 3.64 -1.97 -2.64 116.57 114.20 1fba h LYS 68 Ca 0.00 -0.00 0.16 0.00 -1.27 0.00 0.00 60.65 59.54 1fba h LYS 68 Cb 0.08 -0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 31.82 1fba h LYS 68 CO 0.00 0.12 0.58 1.25 -2.27 0.00 0.00 179.45 179.13 1fba h LEU 69 N 0.02 0.62 -0.83 5.20 5.85 -1.37 -0.94 115.31 123.87 1fba h LEU 69 Ca 0.00 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1fba h LEU 69 Cb 0.18 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.14 1fba h LEU 69 CO 0.01 0.29 0.00 0.00 -0.34 0.00 0.00 178.44 178.40 1fba n ALA 70 N -2.44 1.31 0.22 1.25 0.00 -0.99 -0.66 120.51 119.20 1fba n ALA 70 Ca 0.18 0.11 0.07 0.00 0.00 0.00 0.00 53.44 53.81 1fba n ALA 70 Cb 0.53 -1.29 0.49 0.00 0.00 0.00 0.00 19.45 19.18 1fba n ALA 70 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1fba h GLU 71 N 0.00 0.00 0.00 0.00 5.08 -1.36 -3.33 114.58 114.97 1fba h GLU 71 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1fba h GLU 71 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1fba h GLU 71 CO 0.00 0.27 -0.96 0.09 -1.00 0.00 0.00 179.01 177.40 1fba n ASN 72 N -3.75 4.72 -4.27 1.42 3.02 -0.17 -4.55 115.26 111.69 1fba n ASN 72 Ca -0.01 -0.02 -0.36 0.00 -0.03 0.00 0.00 54.58 54.15 1fba n ASN 72 Cb 0.37 1.01 -0.13 0.00 -0.61 0.00 0.00 39.78 40.42 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 -1.97 3.47 -0.08 2.41 -1.09 0.16 -1.12 121.20 122.98 1fba s ILE 73 Ca -0.00 -0.95 0.15 0.00 -2.23 0.00 0.00 60.65 57.62 1fba s ILE 73 Cb 0.00 -2.83 -0.16 0.00 -1.58 0.00 0.00 42.46 37.89 1fba s ILE 73 CO 0.01 0.06 0.82 0.77 -1.23 0.00 0.00 174.94 175.37 1fba h SER 74 N 8.13 0.00 -5.07 3.58 4.64 -1.36 -3.39 113.55 120.09 1fba h SER 74 Ca -0.29 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.98 1fba h SER 74 Cb 1.11 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.06 1fba h SER 74 CO 0.58 0.76 -0.04 -0.83 -0.87 0.00 0.00 176.83 176.43 1fba s GLY 75 N -4.89 -0.31 -0.04 -0.77 0.00 -1.25 -1.01 107.32 99.05 1fba s GLY 75 Ca -0.03 0.04 0.02 0.00 0.00 0.00 0.00 44.72 44.75 1fba s GLY 75 CO 0.81 -0.23 -0.08 0.14 0.00 0.00 0.00 173.10 173.75 1fba s VAL 76 N -3.69 0.74 -0.18 1.40 1.01 -0.62 -2.08 120.40 116.98 1fba s VAL 76 Ca 0.02 -0.27 -0.16 0.00 0.00 0.00 0.00 61.98 61.57 1fba s VAL 76 Cb 0.01 -0.71 -0.04 0.00 0.00 0.00 0.00 36.38 35.65 1fba s VAL 76 CO -0.11 0.26 0.41 -0.63 0.00 0.00 0.00 175.10 175.02 1fba s ILE 77 N 0.65 5.21 0.18 2.22 1.01 -0.64 -0.33 121.20 129.50 1fba s ILE 77 Ca -0.10 0.75 0.08 0.00 0.00 0.00 0.00 60.65 61.38 1fba s ILE 77 Cb -0.13 -3.74 -0.04 0.00 0.01 0.00 0.00 42.46 38.56 1fba s ILE 77 CO 0.01 0.28 -0.03 -0.76 0.00 0.00 0.00 174.94 174.44 1fba s LEU 78 N 1.06 3.20 0.25 2.97 1.43 -0.26 -0.66 118.68 126.66 1fba s LEU 78 Ca 0.20 -0.46 -0.17 0.00 -1.03 0.00 0.00 54.13 52.68 1fba s LEU 78 Cb -0.15 -1.86 -0.08 0.00 0.03 0.00 0.00 46.19 44.13 1fba s LEU 78 CO 0.08 0.09 0.70 0.12 0.23 0.00 0.00 176.35 177.57 1fba s PHE 79 N -1.73 3.53 0.23 0.29 5.36 -1.26 -2.02 117.98 122.39 1fba s PHE 79 Ca 0.27 1.25 -0.15 0.00 -0.96 0.00 0.00 56.93 57.34 1fba s PHE 79 Cb -0.09 -2.54 0.28 0.00 -0.34 0.00 0.00 43.02 40.34 1fba s PHE 79 CO 0.17 0.26 1.57 1.25 -1.46 0.00 0.00 175.22 177.01 1fba h HIS 80 N 2.97 -0.80 -0.64 10.12 6.17 -1.92 -1.23 115.15 129.82 1fba h HIS 80 Ca -0.48 0.09 0.07 0.00 0.71 0.00 0.00 60.37 60.76 1fba h HIS 80 Cb 1.18 0.48 -0.06 0.00 2.52 0.00 0.00 27.41 31.54 1fba h HIS 80 CO 0.63 -0.39 0.33 1.05 0.71 0.00 0.00 177.93 180.26 1fba h GLU 81 N -0.03 0.59 -0.45 5.26 4.11 -1.97 -2.54 114.58 119.53 1fba h GLU 81 Ca 0.36 -0.04 -0.05 0.00 0.07 0.00 0.00 59.36 59.70 1fba h GLU 81 Cb 0.61 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 1fba h GLU 81 CO -0.90 0.39 0.06 1.15 0.07 0.00 0.00 179.01 179.78 1fba h THR 82 N 0.60 1.22 -0.41 -1.06 2.02 -1.63 -2.57 112.91 111.09 1fba h THR 82 Ca 0.30 -0.83 0.12 0.00 0.77 0.00 0.00 66.41 66.76 1fba h THR 82 Cb 0.24 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 67.44 1fba h THR 82 CO -0.21 0.30 0.34 0.25 0.37 0.00 0.00 175.52 176.56 1fba h LEU 83 N 0.68 0.00 -2.76 2.58 5.85 -1.18 -1.50 115.31 118.98 1fba h LEU 83 Ca 0.15 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.87 1fba h LEU 83 Cb 0.33 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.36 1fba h LEU 83 CO 0.01 0.00 0.00 -1.22 -0.34 0.00 0.00 178.44 176.89 1fba n TYR 84 N -4.14 0.59 -2.83 1.25 4.01 -0.97 -4.56 117.16 110.51 1fba n TYR 84 Ca 0.07 -0.47 -0.26 0.00 -0.16 0.00 0.00 57.90 57.08 1fba n TYR 84 Cb 0.52 -0.02 -0.00 0.00 -0.31 0.00 0.00 39.34 39.53 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 -1.02 3.52 0.09 -0.72 -0.21 -0.57 -4.98 119.66 115.78 1fba s GLN 85 Ca 0.30 0.05 0.09 0.00 0.02 0.00 0.00 55.36 55.83 1fba s GLN 85 Cb 0.16 -2.45 -0.03 0.00 1.00 0.00 0.00 33.01 31.69 1fba s GLN 85 CO 0.21 -0.12 -0.23 0.15 -2.12 0.00 0.00 175.29 173.18 1fba s LYS 86 N -4.63 1.33 0.98 2.91 1.02 -1.26 -1.51 119.74 118.57 1fba s LYS 86 Ca 0.46 -1.17 -0.12 0.00 0.02 0.00 0.00 55.97 55.15 1fba s LYS 86 Cb -0.10 -1.63 0.18 0.00 -0.52 0.00 0.00 37.83 35.76 1fba s LYS 86 CO 0.43 0.39 1.09 0.00 -0.92 0.00 0.00 175.35 176.33 1fba s ALA 87 N -1.03 1.00 0.40 5.17 0.00 0.21 -4.85 121.76 122.67 1fba s ALA 87 Ca 0.09 -0.21 0.12 0.00 0.00 0.00 0.00 51.96 51.97 1fba s ALA 87 Cb -0.10 -3.17 0.95 0.00 0.00 0.00 0.00 23.12 20.80 1fba s ALA 87 CO 0.04 -2.79 1.92 -0.44 0.00 0.00 0.00 175.76 174.50 1fba h ASP 88 N -1.86 0.49 0.60 0.00 3.32 -1.97 -0.26 116.42 116.74 1fba h ASP 88 Ca -0.53 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.54 1fba h ASP 88 Cb 1.31 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.78 1fba h ASP 88 CO 0.55 0.27 0.00 -0.90 -1.72 0.00 0.00 179.24 177.44 1fba n ASP 89 N -4.50 0.00 0.00 6.45 5.75 -1.26 -4.87 116.55 118.12 1fba n ASP 89 Ca 0.14 -0.06 0.00 0.00 -0.01 0.00 0.00 54.79 54.86 1fba n ASP 89 Cb 0.44 -0.31 0.00 0.00 -1.03 0.00 0.00 41.12 40.22 1fba n ASP 89 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1fba n GLY 90 N 1.22 0.70 3.71 6.12 0.00 -0.11 -5.07 105.19 111.77 1fba n GLY 90 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.10 4.92 0.26 2.61 2.01 -1.25 -4.75 115.64 117.35 1fba s THR 91 Ca 0.00 1.88 -0.31 0.00 0.31 0.00 0.00 61.69 63.57 1fba s THR 91 Cb 0.00 -4.24 -0.12 0.00 0.01 0.00 0.00 72.50 68.16 1fba s THR 91 CO 0.00 0.19 1.63 -2.65 -0.69 0.00 0.00 174.62 173.10 1fba n PRO 92 N 3.87 2.69 -0.33 4.92 -0.02 -1.26 0.67 135.00 145.54 1fba n PRO 92 Ca 0.04 0.96 0.15 0.00 -2.02 0.00 0.00 63.50 62.63 1fba n PRO 92 Cb 0.51 -2.76 0.34 0.00 -0.02 0.00 0.00 33.50 31.57 1fba n PRO 92 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 1fba h PHE 93 N 5.38 0.91 -0.67 6.00 0.04 -1.58 -1.24 116.94 125.79 1fba h PHE 93 Ca -0.46 0.04 -0.00 0.00 2.80 0.00 0.00 57.97 60.34 1fba h PHE 93 Cb 1.22 -0.25 -0.03 0.00 2.20 0.00 0.00 35.95 39.08 1fba h PHE 93 CO 0.60 0.07 0.40 0.00 -0.60 0.00 0.00 178.31 178.78 1fba h ALA 94 N 1.70 1.44 -0.04 2.45 0.00 -1.80 -1.53 119.26 121.47 1fba h ALA 94 Ca 0.60 -0.08 -0.23 0.00 0.00 0.00 0.00 54.91 55.20 1fba h ALA 94 Cb 1.08 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 18.61 1fba h ALA 94 CO -0.46 0.48 -0.90 1.49 0.00 0.00 0.00 179.25 179.85 1fba h GLU 95 N 0.92 0.57 -0.30 0.00 4.81 -1.62 -1.23 114.58 117.73 1fba h GLU 95 Ca 0.24 -0.55 -0.01 0.00 -0.13 0.00 0.00 59.36 58.91 1fba h GLU 95 Cb -0.03 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 1fba h GLU 95 CO -0.04 1.17 0.15 0.82 -0.73 0.00 0.00 179.01 180.38 1fba h ILE 96 N 0.35 1.14 -0.35 2.32 2.04 -0.92 -1.02 117.51 121.07 1fba h ILE 96 Ca -0.08 -0.39 -0.13 0.00 1.00 0.00 0.00 64.86 65.26 1fba h ILE 96 Cb 1.53 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 38.46 1fba h ILE 96 CO 0.17 0.14 -0.28 -0.07 0.00 0.00 0.00 178.15 178.11 1fba h LEU 97 N 0.36 0.86 -0.92 1.44 3.38 -1.30 -3.14 115.31 115.98 1fba h LEU 97 Ca 0.10 -0.45 -0.09 0.00 0.09 0.00 0.00 57.88 57.54 1fba h LEU 97 Cb 0.09 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1fba h LEU 97 CO -0.01 1.12 -0.19 0.11 0.09 0.00 0.00 178.44 179.56 1fba h LYS 98 N 0.60 0.58 -0.14 1.13 1.57 -1.14 -2.21 116.57 116.96 1fba h LYS 98 Ca 0.07 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.63 1fba h LYS 98 Cb 0.85 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.11 1fba h LYS 98 CO 0.07 0.73 0.03 -0.22 -0.57 0.00 0.00 179.45 179.50 1fba h LYS 99 N 0.52 0.19 -0.02 3.15 3.64 -1.15 -1.06 116.57 121.84 1fba h LYS 99 Ca 0.08 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1fba h LYS 99 Cb 0.62 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 1fba h LYS 99 CO 0.04 0.19 0.00 1.63 -2.27 0.00 0.00 179.45 179.04 1fba n LYS 100 N -4.45 1.34 -1.00 1.90 5.02 -1.04 -4.92 118.16 115.01 1fba n LYS 100 Ca -0.01 -0.50 -0.00 0.00 -2.02 0.00 0.00 58.31 55.78 1fba n LYS 100 Cb 0.13 -1.47 -0.00 0.00 -0.02 0.00 0.00 35.03 33.67 1fba n LYS 100 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1fba n GLY 101 N 1.07 0.41 3.78 0.72 0.00 -0.40 -4.77 105.19 105.99 1fba n GLY 101 Ca 0.20 -0.93 -0.39 0.00 0.00 0.00 0.00 46.02 44.90 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 4.77 0.26 -0.61 1.01 -0.86 -4.96 121.20 118.81 1fba s ILE 102 Ca 0.00 1.31 -0.19 0.00 0.00 0.00 0.00 60.65 61.76 1fba s ILE 102 Cb 0.00 -3.95 -0.09 0.00 0.01 0.00 0.00 42.46 38.43 1fba s ILE 102 CO 0.00 0.48 0.75 -0.63 0.00 0.00 0.00 174.94 175.54 1fba s ILE 103 N -0.65 4.55 -0.17 2.92 1.01 -0.18 -4.20 121.20 124.48 1fba s ILE 103 Ca 0.31 1.27 -0.09 0.00 0.00 0.00 0.00 60.65 62.14 1fba s ILE 103 Cb -0.19 -3.81 -0.05 0.00 0.01 0.00 0.00 42.46 38.42 1fba s ILE 103 CO 0.19 0.10 0.12 -0.76 0.00 0.00 0.00 174.94 174.60 1fba s LEU 104 N -2.23 4.22 0.26 2.97 1.43 -1.26 -1.59 118.68 122.48 1fba s LEU 104 Ca 0.47 0.29 0.11 0.00 -1.03 0.00 0.00 54.13 53.97 1fba s LEU 104 Cb -0.15 -2.07 -0.05 0.00 0.03 0.00 0.00 46.19 43.95 1fba s LEU 104 CO 0.20 0.26 -0.14 -0.83 0.23 0.00 0.00 176.35 176.07 1fba s GLY 105 N -0.11 1.80 -0.02 -3.19 0.00 0.55 -0.99 107.32 105.36 1fba s GLY 105 Ca 0.10 -1.77 0.01 0.00 0.00 0.00 0.00 44.72 43.05 1fba s GLY 105 CO 0.00 -1.85 -0.01 -1.50 0.00 0.00 0.00 173.10 169.74 1fba s ILE 106 N -2.35 0.23 -0.19 0.90 1.10 -0.77 -1.11 121.20 119.02 1fba s ILE 106 Ca 0.29 0.01 -0.29 0.00 -0.51 0.00 0.00 60.65 60.15 1fba s ILE 106 Cb -0.06 -0.28 -0.00 0.00 0.15 0.00 0.00 42.46 42.27 1fba s ILE 106 CO 0.16 0.13 1.14 -0.75 -2.11 0.00 0.00 174.94 173.51 1fba s LYS 107 N 0.69 4.26 0.00 3.50 2.36 -0.86 -1.41 119.74 128.29 1fba s LYS 107 Ca -0.07 1.50 0.05 0.00 -2.55 0.00 0.00 55.97 54.91 1fba s LYS 107 Cb -0.10 -3.68 -0.00 0.00 -1.05 0.00 0.00 37.83 33.00 1fba s LYS 107 CO -0.01 -0.63 0.46 1.33 1.55 0.00 0.00 175.35 178.05 1fba n VAL 108 N 5.25 0.00 -1.66 4.02 0.24 -0.53 -4.68 118.33 120.97 1fba n VAL 108 Ca 0.12 -0.44 -0.30 0.00 -2.04 0.00 0.00 64.34 61.68 1fba n VAL 108 Cb 0.46 1.06 0.07 0.00 -1.47 0.00 0.00 33.84 33.96 1fba n VAL 108 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 1fba s ASP 109 N -0.94 5.00 -0.29 -1.34 1.47 -1.24 -4.84 116.67 114.49 1fba s ASP 109 Ca 0.04 1.32 0.08 0.00 1.18 0.00 0.00 52.55 55.18 1fba s ASP 109 Cb 0.04 -2.12 0.46 0.00 -0.34 0.00 0.00 42.92 40.96 1fba s ASP 109 CO 0.13 -1.65 1.33 0.29 0.68 0.00 0.00 175.17 175.96 1fba n LYS 110 N -3.23 2.37 0.00 2.11 5.02 0.13 -4.94 118.16 119.63 1fba n LYS 110 Ca 0.07 -3.55 0.00 0.00 -2.02 0.00 0.00 58.31 52.81 1fba n LYS 110 Cb 0.56 -1.93 0.00 0.00 -0.02 0.00 0.00 35.03 33.64 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 -0.98 -2.44 3.90 0.72 0.00 -1.25 -4.70 105.19 100.44 1fba n GLY 111 Ca 0.34 -1.59 -0.29 0.00 0.00 0.00 0.00 46.02 44.48 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 -0.92 5.06 0.01 1.61 -7.23 -1.26 -1.24 120.40 116.43 1fba s VAL 112 Ca 0.00 0.03 0.00 0.00 -1.81 0.00 0.00 61.98 60.20 1fba s VAL 112 Cb 0.00 -3.71 -0.01 0.00 0.56 0.00 0.00 36.38 33.22 1fba s VAL 112 CO 0.00 -0.24 -0.02 0.68 -0.31 0.00 0.00 175.10 175.21 1fba s VAL 113 N -1.98 0.07 0.41 1.32 -7.23 -0.08 -4.78 120.40 108.13 1fba s VAL 113 Ca 0.43 -0.51 -0.26 0.00 -1.81 0.00 0.00 61.98 59.83 1fba s VAL 113 Cb -0.11 -0.16 -0.08 0.00 0.56 0.00 0.00 36.38 36.59 1fba s VAL 113 CO 0.28 -0.28 1.29 -2.16 -0.31 0.00 0.00 175.10 173.93 1fba s PRO 114 N -0.82 3.93 -0.50 4.82 0.04 -1.26 -0.95 135.00 140.26 1fba s PRO 114 Ca -0.09 2.13 -0.21 0.00 0.04 0.00 0.00 61.00 62.88 1fba s PRO 114 Cb -0.06 -2.72 0.05 0.00 0.04 0.00 0.00 34.50 31.81 1fba s PRO 114 CO -0.01 -0.52 0.71 -0.51 0.04 0.00 0.00 177.00 176.71 1fba s LEU 115 N -2.50 4.65 0.21 -3.56 1.43 -0.33 -4.81 118.68 113.77 1fba s LEU 115 Ca 0.58 -0.64 -0.32 0.00 -1.03 0.00 0.00 54.13 52.71 1fba s LEU 115 Cb -0.37 -2.60 -0.12 0.00 0.03 0.00 0.00 46.19 43.12 1fba s LEU 115 CO 0.48 -0.95 1.73 0.33 0.23 0.00 0.00 176.35 178.17 1fba n PHE 116 N 6.50 2.77 0.00 0.29 7.35 -1.26 -1.73 117.46 131.37 1fba n PHE 116 Ca -0.03 0.03 0.00 0.00 -0.76 0.00 0.00 57.45 56.68 1fba n PHE 116 Cb 0.46 -2.68 0.00 0.00 0.35 0.00 0.00 39.48 37.61 1fba n PHE 116 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1fba n GLY 117 N 3.99 1.43 3.89 7.13 0.00 -1.26 -5.04 105.19 115.33 1fba n GLY 117 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 1fba n GLY 117 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1fba s SER 118 N -2.56 5.22 -1.31 1.61 1.04 -0.71 -4.96 113.70 112.03 1fba s SER 118 Ca 0.00 1.02 -0.11 0.00 0.48 0.00 0.00 55.95 57.33 1fba s SER 118 Cb 0.00 -1.75 0.13 0.00 0.10 0.00 0.00 66.02 64.50 1fba s SER 118 CO 0.00 -1.46 1.90 -0.62 0.98 0.00 0.00 173.24 174.04 1fba n GLU 119 N -3.06 3.40 -3.55 4.02 1.02 -1.26 -4.57 120.64 116.64 1fba n GLU 119 Ca 0.07 -3.34 -0.21 0.00 -0.02 0.00 0.00 57.16 53.66 1fba n GLU 119 Cb 0.58 -3.05 0.08 0.00 -0.02 0.00 0.00 31.44 29.03 1fba n GLU 119 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1fba n ASP 120 N 4.80 -4.31 -4.76 1.62 8.00 -1.26 -5.00 116.55 115.65 1fba n ASP 120 Ca 0.43 -0.60 -0.22 0.00 0.71 0.00 0.00 54.79 55.11 1fba n ASP 120 Cb 0.38 -4.98 -0.06 0.00 -0.02 0.00 0.00 41.12 36.45 1fba n ASP 120 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1fba s GLU 121 N -5.93 2.55 0.21 -1.24 2.02 -1.26 -5.02 118.70 110.04 1fba s GLU 121 Ca 0.33 -1.36 0.01 0.00 0.02 0.00 0.00 54.97 53.96 1fba s GLU 121 Cb -0.15 -2.32 -0.05 0.00 0.10 0.00 0.00 34.13 31.72 1fba s GLU 121 CO 0.74 0.23 0.07 0.14 0.02 0.00 0.00 175.26 176.46 1fba s VAL 122 N -2.31 0.44 0.38 2.63 -7.23 -1.26 -1.19 120.40 111.86 1fba s VAL 122 Ca 0.36 -1.99 0.05 0.00 -1.81 0.00 0.00 61.98 58.59 1fba s VAL 122 Cb -0.05 -2.43 -0.03 0.00 0.56 0.00 0.00 36.38 34.44 1fba s VAL 122 CO 0.23 -0.16 0.17 0.28 -0.31 0.00 0.00 175.10 175.31 1fba s THR 123 N -3.83 0.42 -0.06 5.32 -1.32 -0.12 -4.85 115.64 111.19 1fba s THR 123 Ca 0.33 -2.00 0.03 0.00 -1.21 0.00 0.00 61.69 58.85 1fba s THR 123 Cb 0.07 -2.39 -0.02 0.00 -1.51 0.00 0.00 72.50 68.65 1fba s THR 123 CO 0.10 0.00 -0.15 -0.89 -2.21 0.00 0.00 174.62 171.47 1fba s THR 124 N -3.29 2.99 0.36 5.08 2.01 -1.26 -0.91 115.64 120.62 1fba s THR 124 Ca 0.28 -0.74 0.07 0.00 0.31 0.00 0.00 61.69 61.62 1fba s THR 124 Cb 0.03 -2.18 -0.02 0.00 0.01 0.00 0.00 72.50 70.34 1fba s THR 124 CO 0.18 0.58 0.37 0.00 -0.69 0.00 0.00 174.62 175.06 1fba s GLN 125 N -0.53 2.76 0.00 4.92 -2.07 -0.37 -4.90 119.66 119.47 1fba s GLN 125 Ca 0.07 -1.29 0.00 0.00 -1.82 0.00 0.00 55.36 52.32 1fba s GLN 125 Cb -0.12 -2.54 0.00 0.00 -1.09 0.00 0.00 33.01 29.26 1fba s GLN 125 CO 0.01 -0.01 0.00 0.41 -1.32 0.00 0.00 175.29 174.38 1fba n GLY 126 N -1.51 -0.04 0.18 2.60 0.00 -1.26 0.22 105.19 105.38 1fba n GLY 126 Ca 0.01 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.09 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 -9.40 0.99 3.38 -1.90 -3.42 115.31 104.96 1fba h LEU 127 Ca 0.00 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.43 1fba h LEU 127 Cb 0.00 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.76 1fba h LEU 127 CO 0.00 0.34 1.03 -1.81 0.09 0.00 0.00 178.44 178.09 1fba s ASP 128 N -6.34 6.62 -1.92 -0.43 1.01 -1.26 -1.84 116.67 112.51 1fba s ASP 128 Ca 0.03 2.43 0.00 0.00 0.71 0.00 0.00 52.55 55.72 1fba s ASP 128 Cb 0.08 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.46 1fba s ASP 128 CO 0.70 -0.90 0.00 0.47 0.21 0.00 0.00 175.17 175.65 1fba n ASP 129 N 6.08 -5.41 -0.28 0.27 8.00 -1.26 -4.90 116.55 119.05 1fba n ASP 129 Ca 0.16 0.31 -0.05 0.00 0.71 0.00 0.00 54.79 55.93 1fba n ASP 129 Cb 0.41 -4.55 0.07 0.00 -0.02 0.00 0.00 41.12 37.02 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 0.92 -0.32 0.64 5.85 -1.62 -1.44 115.31 119.34 1fba h LEU 130 Ca -0.42 -0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.32 1fba h LEU 130 Cb 1.29 -0.23 -0.07 0.00 0.37 0.00 0.00 40.66 42.02 1fba h LEU 130 CO 0.57 0.69 -0.15 0.00 -0.34 0.00 0.00 178.44 179.21 1fba h ALA 131 N 1.26 0.11 -0.25 1.25 0.00 -1.89 0.18 119.26 119.92 1fba h ALA 131 Ca 0.28 0.12 -0.08 0.00 0.00 0.00 0.00 54.91 55.22 1fba h ALA 131 Cb -0.07 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1fba h ALA 131 CO -0.06 -0.53 -0.21 0.00 0.00 0.00 0.00 179.25 178.45 1fba h ALA 132 N 1.16 1.18 -0.46 0.00 0.00 -1.89 -1.34 119.26 117.91 1fba h ALA 132 Ca 0.16 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 1fba h ALA 132 Cb 0.34 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1fba h ALA 132 CO -0.38 0.53 0.07 0.00 0.00 0.00 0.00 179.25 179.46 1fba h ARG 133 N 0.41 0.76 -0.41 0.00 3.08 -0.41 -2.60 114.38 115.22 1fba h ARG 133 Ca 0.07 -0.21 -0.06 0.00 0.07 0.00 0.00 59.98 59.85 1fba h ARG 133 Cb 0.60 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.54 1fba h ARG 133 CO 0.04 0.78 0.02 0.00 -1.07 0.00 0.00 179.97 179.74 1fba h ALA 135 N 0.90 1.27 -0.14 0.00 0.00 -1.21 0.38 119.26 120.46 1fba h ALA 135 Ca 0.12 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 1fba h ALA 135 Cb 0.45 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1fba h ALA 135 CO 0.02 0.53 -0.14 0.37 0.00 0.00 0.00 179.25 180.03 1fba h GLN 136 N 1.24 0.34 -0.67 0.00 5.75 -1.18 -2.54 115.11 118.05 1fba h GLN 136 Ca 0.38 -0.18 0.00 0.00 -0.15 0.00 0.00 58.65 58.71 1fba h GLN 136 Cb -0.02 0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.50 1fba h GLN 136 CO -0.12 0.73 0.44 1.88 -2.65 0.00 0.00 178.83 179.11 1fba h TYR 137 N -0.03 0.85 0.06 3.99 0.05 -0.73 -1.13 116.97 120.03 1fba h TYR 137 Ca 0.02 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.82 1fba h TYR 137 Cb 0.66 -0.29 0.00 0.00 1.01 0.00 0.00 36.73 38.12 1fba h TYR 137 CO 0.08 0.54 -0.03 -0.22 -1.05 0.00 0.00 178.16 177.49 1fba h LYS 138 N 0.91 -0.08 -0.84 4.88 1.63 -0.90 -0.66 116.57 121.52 1fba h LYS 138 Ca 0.24 0.01 0.13 0.00 -0.85 0.00 0.00 60.65 60.18 1fba h LYS 138 Cb -0.09 0.02 -0.06 0.00 -0.60 0.00 0.00 32.23 31.49 1fba h LYS 138 CO -0.05 0.18 0.55 -0.22 -3.45 0.00 0.00 179.45 176.46 1fba h LYS 139 N -0.34 0.63 -0.22 1.90 3.64 -1.08 -1.70 116.57 119.39 1fba h LYS 139 Ca -0.01 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1fba h LYS 139 Cb 0.30 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 1fba h LYS 139 CO 0.01 0.42 0.00 -0.25 -2.27 0.00 0.00 179.45 177.36 1fba n ASP 140 N -4.53 1.43 0.00 4.20 8.00 -0.46 -4.90 116.55 120.29 1fba n ASP 140 Ca 0.16 -1.86 0.00 0.00 0.71 0.00 0.00 54.79 53.79 1fba n ASP 140 Cb 0.44 -0.15 0.00 0.00 -0.02 0.00 0.00 41.12 41.39 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 0.99 1.06 3.85 0.44 0.00 -0.64 -5.03 105.19 105.86 1fba n GLY 141 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 1fba n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fba n ASP 143 N 1.64 0.18 -4.08 0.00 8.00 -0.16 -4.06 116.55 118.07 1fba n ASP 143 Ca -0.14 -0.48 -0.09 0.00 0.71 0.00 0.00 54.79 54.79 1fba n ASP 143 Cb 0.53 0.99 -0.09 0.00 -0.02 0.00 0.00 41.12 42.53 1fba n ASP 143 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1fba s PHE 144 N -1.03 0.68 0.16 1.24 -0.71 -1.18 -1.73 117.98 115.41 1fba s PHE 144 Ca 0.00 -1.07 0.02 0.00 -1.04 0.00 0.00 56.93 54.84 1fba s PHE 144 Cb 0.00 -0.34 -0.05 0.00 -1.21 0.00 0.00 43.02 41.42 1fba s PHE 144 CO 0.00 -0.56 -0.03 0.00 -1.34 0.00 0.00 175.22 173.29 1fba s ALA 145 N -4.01 1.37 -0.03 1.99 0.00 0.12 -1.84 121.76 119.36 1fba s ALA 145 Ca 0.20 -1.56 0.03 0.00 0.00 0.00 0.00 51.96 50.63 1fba s ALA 145 Cb 0.06 0.40 0.00 0.00 0.00 0.00 0.00 23.12 23.58 1fba s ALA 145 CO -0.00 -0.26 -0.10 0.21 0.00 0.00 0.00 175.76 175.61 1fba s LYS 146 N -3.87 1.06 -0.13 0.00 2.36 -0.50 -1.45 119.74 117.21 1fba s LYS 146 Ca 0.21 -0.34 -0.05 0.00 -2.55 0.00 0.00 55.97 53.24 1fba s LYS 146 Cb 0.05 -0.98 0.06 0.00 -1.05 0.00 0.00 37.83 35.92 1fba s LYS 146 CO 0.03 0.13 0.27 -0.46 1.55 0.00 0.00 175.35 176.86 1fba s TRP 147 N 0.17 -0.43 -0.23 4.03 -0.11 -1.25 -1.45 118.94 119.67 1fba s TRP 147 Ca -0.03 0.98 -0.07 0.00 1.22 0.00 0.00 56.10 58.20 1fba s TRP 147 Cb -0.09 -0.02 -0.03 0.00 -1.50 0.00 0.00 33.47 31.83 1fba s TRP 147 CO 0.01 -0.35 0.07 0.50 -4.62 0.00 0.00 176.95 172.55 1fba s ARG 148 N 2.36 3.73 0.07 5.86 3.52 -1.26 -3.25 118.95 129.97 1fba s ARG 148 Ca 0.01 -0.45 0.04 0.00 -0.13 0.00 0.00 55.73 55.20 1fba s ARG 148 Cb -0.12 -3.29 -0.04 0.00 -1.56 0.00 0.00 34.95 29.94 1fba s ARG 148 CO -0.09 -0.08 0.02 0.00 -0.81 0.00 0.00 175.30 174.35 1fba s VAL 150 N -1.30 1.44 -0.05 0.00 1.01 -1.26 -1.04 120.40 119.20 1fba s VAL 150 Ca 0.26 -0.62 0.06 0.00 0.00 0.00 0.00 61.98 61.68 1fba s VAL 150 Cb -0.12 -1.32 -0.02 0.00 0.00 0.00 0.00 36.38 34.92 1fba s VAL 150 CO 0.18 0.43 -0.22 -0.76 0.00 0.00 0.00 175.10 174.73 1fba s LEU 151 N 0.93 2.30 -0.10 3.92 1.43 0.02 -4.64 118.68 122.54 1fba s LEU 151 Ca -0.08 -0.39 0.02 0.00 -1.03 0.00 0.00 54.13 52.65 1fba s LEU 151 Cb -0.15 -1.43 -0.01 0.00 0.03 0.00 0.00 46.19 44.63 1fba s LEU 151 CO -0.00 0.30 -0.17 -0.54 0.23 0.00 0.00 176.35 176.16 1fba s LYS 152 N -0.46 3.04 -0.23 1.70 1.02 -1.26 -1.04 119.74 122.52 1fba s LYS 152 Ca 0.05 -0.75 -0.18 0.00 0.02 0.00 0.00 55.97 55.11 1fba s LYS 152 Cb -0.12 -2.46 -0.03 0.00 -0.52 0.00 0.00 37.83 34.70 1fba s LYS 152 CO 0.01 0.31 0.50 0.42 -0.92 0.00 0.00 175.35 175.68 1fba s ILE 153 N 0.06 5.10 0.00 2.17 1.01 -1.26 -2.23 121.20 126.05 1fba s ILE 153 Ca -0.07 0.89 0.00 0.00 0.00 0.00 0.00 60.65 61.47 1fba s ILE 153 Cb -0.15 -3.82 0.00 0.00 0.01 0.00 0.00 42.46 38.50 1fba s ILE 153 CO 0.05 0.14 0.00 0.61 0.00 0.00 0.00 174.94 175.74 1fba n GLY 154 N 4.12 3.72 0.39 6.18 0.00 -0.55 -4.83 105.19 114.22 1fba n GLY 154 Ca -0.05 -1.18 -0.12 0.00 0.00 0.00 0.00 46.02 44.67 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 -0.49 -0.09 1.61 3.64 -2.00 -3.23 116.57 116.02 1fba h LYS 155 Ca 0.00 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1fba h LYS 155 Cb 0.00 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1fba h LYS 155 CO 0.00 -0.32 0.00 0.09 -2.27 0.00 0.00 179.45 176.95 1fba n ASN 156 N -5.44 2.37 -4.40 4.20 3.02 -1.26 -5.04 115.26 108.72 1fba n ASN 156 Ca -0.05 -2.22 -0.28 0.00 -0.03 0.00 0.00 54.58 52.01 1fba n ASN 156 Cb 0.36 -0.15 -0.12 0.00 -0.61 0.00 0.00 39.78 39.26 1fba n ASN 156 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1fba s THR 157 N -1.38 2.28 0.40 3.41 -4.23 -1.22 -3.83 115.64 111.07 1fba s THR 157 Ca 0.12 -1.86 -0.25 0.00 -1.18 0.00 0.00 61.69 58.52 1fba s THR 157 Cb 0.09 -2.04 -0.08 0.00 1.34 0.00 0.00 72.50 71.81 1fba s THR 157 CO 0.05 0.00 1.15 -2.16 -0.54 0.00 0.00 174.62 173.11 1fba s PRO 158 N -2.30 4.05 0.56 3.99 0.04 -0.95 -1.48 135.00 138.91 1fba s PRO 158 Ca 0.16 1.77 -0.04 0.00 0.04 0.00 0.00 61.00 62.94 1fba s PRO 158 Cb -0.09 -2.64 0.01 0.00 0.04 0.00 0.00 34.50 31.82 1fba s PRO 158 CO 0.07 -0.30 0.84 -1.54 0.04 0.00 0.00 177.00 176.11 1fba s SER 159 N -1.23 5.61 0.22 6.66 1.04 -1.25 -4.91 113.70 119.84 1fba s SER 159 Ca 0.58 0.55 -0.09 0.00 0.48 0.00 0.00 55.95 57.47 1fba s SER 159 Cb -0.29 -1.59 0.32 0.00 0.10 0.00 0.00 66.02 64.56 1fba s SER 159 CO 0.36 -0.99 1.71 0.22 0.98 0.00 0.00 173.24 175.52 1fba h TYR 160 N -0.03 0.28 -0.23 5.02 3.20 -2.00 -1.27 116.97 121.94 1fba h TYR 160 Ca -0.45 0.04 0.06 0.00 3.14 0.00 0.00 58.73 61.51 1fba h TYR 160 Cb 1.26 -0.03 -0.06 0.00 1.54 0.00 0.00 36.73 39.44 1fba h TYR 160 CO 0.46 0.00 -0.18 0.37 -1.64 0.00 0.00 178.16 177.17 1fba h GLN 161 N 0.31 -0.17 -0.68 1.82 4.15 -1.99 0.18 115.11 118.73 1fba h GLN 161 Ca 0.33 0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.77 1fba h GLN 161 Cb 0.49 0.04 -0.04 0.00 0.21 0.00 0.00 27.48 28.18 1fba h GLN 161 CO -0.39 -0.11 0.45 1.03 -1.93 0.00 0.00 178.83 177.87 1fba h SER 162 N -0.18 0.77 0.11 -0.69 0.87 -1.81 -1.29 113.55 111.34 1fba h SER 162 Ca 0.13 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.67 1fba h SER 162 Cb 0.38 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.15 1fba h SER 162 CO -0.34 0.55 -0.05 0.40 -0.53 0.00 0.00 176.83 176.86 1fba h ILE 163 N 0.91 1.03 -0.47 2.23 2.04 -0.91 -0.93 117.51 121.41 1fba h ILE 163 Ca 0.25 -0.56 0.07 0.00 1.00 0.00 0.00 64.86 65.63 1fba h ILE 163 Cb -0.09 1.38 -0.06 0.00 -0.74 0.00 0.00 36.82 37.31 1fba h ILE 163 CO -0.06 0.13 0.11 0.25 0.00 0.00 0.00 178.15 178.59 1fba h LEU 164 N -0.41 0.05 -0.04 1.44 5.85 -0.89 -0.98 115.31 120.33 1fba h LEU 164 Ca -0.02 0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.72 1fba h LEU 164 Cb 0.34 0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.46 1fba h LEU 164 CO 0.03 0.06 -0.20 -0.08 -0.34 0.00 0.00 178.44 177.90 1fba h GLU 165 N 0.26 0.21 -0.60 1.25 4.57 -1.21 -2.09 114.58 116.98 1fba h GLU 165 Ca 0.23 -0.17 -0.03 0.00 -1.18 0.00 0.00 59.36 58.21 1fba h GLU 165 Cb 0.28 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.88 1fba h GLU 165 CO -0.28 0.82 0.23 -0.91 -1.18 0.00 0.00 179.01 177.70 1fba h ASN 166 N -0.35 0.79 -0.39 1.04 2.35 -1.16 -0.64 115.58 117.21 1fba h ASN 166 Ca -0.01 -0.10 -0.10 0.00 -0.55 0.00 0.00 56.30 55.53 1fba h ASN 166 Cb 0.86 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 39.02 1fba h ASN 166 CO 0.04 0.71 -0.14 0.00 -1.65 0.00 0.00 177.43 176.40 1fba h ALA 167 N 1.40 0.55 -0.68 -0.83 0.00 -1.17 -2.34 119.26 116.19 1fba h ALA 167 Ca 0.20 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 1fba h ALA 167 Cb 0.17 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1fba h ALA 167 CO -0.02 0.45 0.13 -0.97 0.00 0.00 0.00 179.25 178.85 1fba h ASN 168 N 0.60 1.06 -0.03 0.00 -1.24 -1.08 -2.05 115.58 112.85 1fba h ASN 168 Ca 0.09 -0.24 -0.14 0.00 0.71 0.00 0.00 56.30 56.73 1fba h ASN 168 Cb 0.68 -0.28 -0.01 0.00 0.73 0.00 0.00 38.32 39.43 1fba h ASN 168 CO 0.05 1.04 -0.43 1.62 -1.29 0.00 0.00 177.43 178.42 1fba h VAL 169 N 1.05 1.30 -0.61 2.57 3.04 -1.04 -1.57 116.25 120.99 1fba h VAL 169 Ca 0.21 -1.60 -0.04 0.00 -1.01 0.00 0.00 66.70 64.26 1fba h VAL 169 Cb 0.41 1.59 -0.03 0.00 -2.01 0.00 0.00 31.29 31.25 1fba h VAL 169 CO 0.01 0.50 0.22 -0.07 -1.01 0.00 0.00 177.57 177.23 1fba h LEU 170 N 0.46 0.86 -0.70 3.16 3.38 -1.20 -1.58 115.31 119.68 1fba h LEU 170 Ca 0.03 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 1fba h LEU 170 Cb 0.93 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 1fba h LEU 170 CO 0.08 0.82 0.24 0.00 0.09 0.00 0.00 178.44 179.67 1fba h ALA 171 N 1.08 0.92 -0.23 1.53 0.00 -1.19 0.64 119.26 122.01 1fba h ALA 171 Ca 0.20 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1fba h ALA 171 Cb 0.24 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1fba h ALA 171 CO -0.01 0.57 0.02 0.00 0.00 0.00 0.00 179.25 179.83 1fba h ARG 172 N 1.02 0.40 -0.32 0.00 2.47 -1.06 -1.65 114.38 115.24 1fba h ARG 172 Ca 0.23 -0.12 0.04 0.00 -1.26 0.00 0.00 59.98 58.87 1fba h ARG 172 Cb 0.27 -0.04 -0.04 0.00 -1.65 0.00 0.00 29.97 28.51 1fba h ARG 172 CO -0.01 0.56 0.09 -0.92 0.56 0.00 0.00 179.97 180.25 1fba h TYR 173 N 0.18 0.16 -0.73 3.04 3.20 -1.18 -1.92 116.97 119.72 1fba h TYR 173 Ca 0.07 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.91 1fba h TYR 173 Cb 0.37 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.58 1fba h TYR 173 CO 0.03 0.06 0.28 0.00 -1.64 0.00 0.00 178.16 176.89 1fba h ALA 174 N 1.21 0.95 -0.60 1.82 0.00 -0.79 -1.93 119.26 119.92 1fba h ALA 174 Ca 0.14 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 1fba h ALA 174 Cb 0.13 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1fba h ALA 174 CO -0.16 0.58 0.00 0.66 0.00 0.00 0.00 179.25 180.33 1fba h SER 175 N 1.05 1.03 -0.24 0.00 4.64 -1.11 -2.03 113.55 116.89 1fba h SER 175 Ca 0.24 -0.29 -0.02 0.00 -0.47 0.00 0.00 61.79 61.26 1fba h SER 175 Cb 0.23 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.03 1fba h SER 175 CO -0.02 1.07 0.08 0.40 -0.87 0.00 0.00 176.83 177.50 1fba h ILE 176 N 0.96 1.19 0.01 0.95 2.04 -1.15 -2.07 117.51 119.44 1fba h ILE 176 Ca 0.17 -0.58 0.03 0.00 1.00 0.00 0.00 64.86 65.48 1fba h ILE 176 Cb 0.55 1.13 -0.04 0.00 -0.74 0.00 0.00 36.82 37.72 1fba h ILE 176 CO 0.03 0.19 -0.21 0.00 0.00 0.00 0.00 178.15 178.16 1fba h GLN 178 N -0.34 0.82 0.00 0.00 4.20 -1.15 -0.72 115.11 117.93 1fba h GLN 178 Ca 0.05 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1fba h GLN 178 Cb 0.41 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.00 1fba h GLN 178 CO -0.18 0.55 0.00 0.66 -0.67 0.00 0.00 178.83 179.18 1fba h SER 179 N 0.85 0.00 -0.28 1.46 4.64 -0.79 -1.80 113.55 117.63 1fba h SER 179 Ca 0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.77 1fba h SER 179 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 1fba h SER 179 CO -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.68 1fba n GLN 180 N -3.01 2.93 -2.70 4.77 1.13 -0.47 -4.97 117.38 115.06 1fba n GLN 180 Ca -0.02 -2.69 -0.13 0.00 -1.94 0.00 0.00 57.00 52.23 1fba n GLN 180 Cb 0.14 -1.73 0.02 0.00 0.11 0.00 0.00 30.24 28.78 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 -0.30 -2.88 -5.14 -1.09 1.74 -0.68 -4.73 116.66 103.60 1fba n ARG 181 Ca 0.19 0.54 -0.31 0.00 -0.77 0.00 0.00 57.85 57.50 1fba n ARG 181 Cb 0.80 -4.62 -0.17 0.00 -1.02 0.00 0.00 32.46 27.45 1fba n ARG 181 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1fba s ILE 182 N -2.91 1.93 -0.28 0.55 -1.09 -0.40 -4.90 121.20 114.09 1fba s ILE 182 Ca 0.18 -0.95 -0.29 0.00 -2.23 0.00 0.00 60.65 57.36 1fba s ILE 182 Cb -0.08 -1.67 0.01 0.00 -1.58 0.00 0.00 42.46 39.15 1fba s ILE 182 CO 0.22 0.53 1.10 -0.69 -1.23 0.00 0.00 174.94 174.87 1fba s VAL 183 N 0.32 4.51 -0.05 2.92 1.01 -0.71 -2.69 120.40 125.71 1fba s VAL 183 Ca -0.16 1.77 -0.28 0.00 0.00 0.00 0.00 61.98 63.31 1fba s VAL 183 Cb -0.17 -4.33 -0.03 0.00 0.00 0.00 0.00 36.38 31.85 1fba s VAL 183 CO 0.08 -0.37 0.91 -2.16 0.00 0.00 0.00 175.10 173.55 1fba s PRO 184 N 3.56 4.48 -0.38 2.72 0.04 -1.26 -0.71 135.00 143.46 1fba s PRO 184 Ca 0.47 1.26 -0.21 0.00 0.04 0.00 0.00 61.00 62.56 1fba s PRO 184 Cb -0.14 -3.48 0.01 0.00 0.04 0.00 0.00 34.50 30.93 1fba s PRO 184 CO 0.13 -0.10 0.64 0.42 0.04 0.00 0.00 177.00 178.14 1fba s ILE 185 N 1.25 4.87 -0.28 0.56 1.01 -0.53 -2.56 121.20 125.53 1fba s ILE 185 Ca 0.47 0.46 -0.29 0.00 0.00 0.00 0.00 60.65 61.29 1fba s ILE 185 Cb -0.19 -4.12 0.01 0.00 0.01 0.00 0.00 42.46 38.17 1fba s ILE 185 CO 0.23 -0.40 1.10 -0.69 0.00 0.00 0.00 174.94 175.18 1fba s VAL 186 N 2.76 4.51 -0.42 2.92 1.01 -0.20 -3.86 120.40 127.11 1fba s VAL 186 Ca 0.24 1.77 0.03 0.00 0.00 0.00 0.00 61.98 64.02 1fba s VAL 186 Cb -0.14 -4.32 0.12 0.00 0.00 0.00 0.00 36.38 32.03 1fba s VAL 186 CO 0.16 -0.36 0.18 -0.70 0.00 0.00 0.00 175.10 174.39 1fba s GLU 187 N 3.55 1.45 -0.91 2.72 2.12 -1.20 -0.15 118.70 126.28 1fba s GLU 187 Ca 0.47 -2.03 -0.14 0.00 0.36 0.00 0.00 54.97 53.64 1fba s GLU 187 Cb -0.14 -2.77 0.22 0.00 0.26 0.00 0.00 34.13 31.69 1fba s GLU 187 CO 0.13 -1.07 0.91 -1.25 -0.54 0.00 0.00 175.26 173.44 1fba s PRO 188 N 0.47 3.75 -0.33 4.30 0.04 -1.24 -0.93 135.00 141.05 1fba s PRO 188 Ca 0.15 -2.54 -0.27 0.00 0.04 0.00 0.00 61.00 58.38 1fba s PRO 188 Cb -0.23 -4.54 0.01 0.00 0.04 0.00 0.00 34.50 29.79 1fba s PRO 188 CO -0.05 -1.36 0.98 -2.00 0.04 0.00 0.00 177.00 174.61 1fba s GLU 189 N 0.22 3.99 -0.48 4.56 2.12 -0.21 -4.51 118.70 124.39 1fba s GLU 189 Ca 0.23 0.84 -0.25 0.00 0.36 0.00 0.00 54.97 56.16 1fba s GLU 189 Cb -0.09 -3.75 0.03 0.00 0.26 0.00 0.00 34.13 30.58 1fba s GLU 189 CO -0.09 -0.87 0.91 0.08 -0.54 0.00 0.00 175.26 174.75 1fba s VAL 190 N 3.47 4.48 0.58 3.70 1.01 -1.26 -0.80 120.40 131.58 1fba s VAL 190 Ca 0.41 0.61 -0.20 0.00 0.00 0.00 0.00 61.98 62.80 1fba s VAL 190 Cb -0.12 -4.44 -0.05 0.00 0.00 0.00 0.00 36.38 31.77 1fba s VAL 190 CO 0.16 -0.87 1.13 0.18 0.00 0.00 0.00 175.10 175.69 1fba n LEU 191 N 7.16 4.52 -0.13 3.92 4.77 -0.20 -4.83 117.00 132.19 1fba n LEU 191 Ca 0.05 0.87 0.13 0.00 -0.03 0.00 0.00 56.01 57.03 1fba n LEU 191 Cb 0.48 -1.46 0.47 0.00 -2.33 0.00 0.00 43.42 40.58 1fba n LEU 191 CO 0.63 -1.35 0.73 -0.81 -1.33 0.00 0.00 177.39 175.27 1fba n PRO 192 N -1.09 0.57 -1.69 3.23 -0.04 -1.26 -4.61 135.00 130.11 1fba n PRO 192 Ca 0.13 -0.27 -0.44 0.00 -0.04 0.00 0.00 63.50 62.88 1fba n PRO 192 Cb 0.46 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 32.40 1fba n PRO 192 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1fba n ASP 193 N -0.98 3.18 0.00 3.54 9.92 -1.26 -1.44 116.55 129.51 1fba n ASP 193 Ca 0.12 1.12 0.00 0.00 -0.53 0.00 0.00 54.79 55.49 1fba n ASP 193 Cb 0.32 -1.47 0.00 0.00 -0.64 0.00 0.00 41.12 39.32 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 2.69 0.65 0.17 0.44 0.00 -1.26 -4.66 105.19 103.22 1fba n GLY 194 Ca 0.13 -2.24 0.09 0.00 0.00 0.00 0.00 46.02 44.00 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 0.59 2.15 -4.74 1.61 5.75 -1.26 -1.31 116.55 119.34 1fba n ASP 195 Ca 0.00 -3.14 -0.31 0.00 -0.01 0.00 0.00 54.79 51.33 1fba n ASP 195 Cb 0.00 -0.43 0.11 0.00 -1.03 0.00 0.00 41.12 39.77 1fba n ASP 195 CO 0.00 0.00 0.00 -1.38 -0.11 0.00 0.00 177.20 175.71 1fba s HIS 196 N -2.77 2.41 0.65 2.11 -3.43 -1.26 -4.59 115.29 108.41 1fba s HIS 196 Ca 0.31 1.51 0.02 0.00 -0.80 0.00 0.00 55.06 56.10 1fba s HIS 196 Cb 0.28 -3.10 0.10 0.00 -1.43 0.00 0.00 32.58 28.43 1fba s HIS 196 CO 0.01 -2.05 0.90 0.16 -2.00 0.00 0.00 174.74 171.77 1fba s ASP 197 N -3.32 4.70 0.27 7.38 1.47 -1.26 -0.69 116.67 125.22 1fba s ASP 197 Ca 0.62 -0.38 -0.04 0.00 1.18 0.00 0.00 52.55 53.94 1fba s ASP 197 Cb -0.18 -0.15 0.34 0.00 -0.34 0.00 0.00 42.92 42.58 1fba s ASP 197 CO 0.57 -1.60 1.89 0.25 0.68 0.00 0.00 175.17 176.96 1fba h LEU 198 N -0.25 0.99 -0.16 2.11 5.85 -1.92 -2.16 115.31 119.78 1fba h LEU 198 Ca -0.36 -0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.30 1fba h LEU 198 Cb 1.28 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 42.03 1fba h LEU 198 CO 0.43 0.80 -0.04 -0.78 -0.34 0.00 0.00 178.44 178.51 1fba h ASP 199 N 1.12 -0.14 -0.51 1.25 3.58 -1.94 -0.28 116.42 119.50 1fba h ASP 199 Ca 0.28 0.05 -0.02 0.00 0.42 0.00 0.00 57.03 57.76 1fba h ASP 199 Cb 0.02 0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.14 1fba h ASP 199 CO -0.05 -0.05 0.23 -0.09 -2.88 0.00 0.00 179.24 176.40 1fba h ARG 200 N 0.00 0.75 -0.38 0.28 9.65 -1.89 -1.94 114.38 120.85 1fba h ARG 200 Ca 0.08 -0.12 -0.04 0.00 -1.10 0.00 0.00 59.98 58.79 1fba h ARG 200 Cb 0.11 -0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 28.54 1fba h ARG 200 CO -0.16 0.65 0.08 0.00 2.80 0.00 0.00 179.97 183.34 1fba h ALA 201 N 1.07 1.43 -0.14 2.80 0.00 -1.05 -1.04 119.26 122.33 1fba h ALA 201 Ca 0.17 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1fba h ALA 201 Cb 0.16 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1fba h ALA 201 CO -0.02 0.42 -0.22 0.37 0.00 0.00 0.00 179.25 179.80 1fba h GLN 202 N 0.56 0.40 -0.58 0.00 4.15 -0.72 -1.09 115.11 117.82 1fba h GLN 202 Ca 0.13 -0.24 -0.02 0.00 0.77 0.00 0.00 58.65 59.29 1fba h GLN 202 Cb 0.23 0.02 -0.03 0.00 0.21 0.00 0.00 27.48 27.92 1fba h GLN 202 CO -0.00 0.83 0.28 0.87 -1.93 0.00 0.00 178.83 178.88 1fba h LYS 203 N 0.01 0.83 0.05 1.69 1.57 -1.08 -0.59 116.57 119.05 1fba h LYS 203 Ca 0.01 -0.12 -0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1fba h LYS 203 Cb 0.79 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.95 1fba h LYS 203 CO 0.05 0.67 -0.02 0.28 -0.57 0.00 0.00 179.45 179.86 1fba h VAL 204 N 0.78 0.99 -0.33 0.50 2.07 -1.18 -1.52 116.25 117.56 1fba h VAL 204 Ca 0.20 -0.11 0.04 0.00 0.82 0.00 0.00 66.70 67.65 1fba h VAL 204 Cb 0.12 1.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.91 1fba h VAL 204 CO -0.03 0.03 0.09 0.74 0.02 0.00 0.00 177.57 178.43 1fba h THR 205 N -0.11 0.88 -0.84 2.57 2.02 -0.96 -0.42 112.91 116.05 1fba h THR 205 Ca -0.01 -0.08 -0.03 0.00 0.77 0.00 0.00 66.41 67.06 1fba h THR 205 Cb 0.09 0.63 -0.04 0.00 -1.74 0.00 0.00 68.15 67.10 1fba h THR 205 CO 0.01 0.04 0.40 -0.33 0.37 0.00 0.00 175.52 176.01 1fba h GLU 206 N 0.22 1.21 -0.05 6.66 5.08 -1.04 -1.54 114.58 125.12 1fba h GLU 206 Ca 0.15 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1fba h GLU 206 Cb 0.15 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.18 1fba h GLU 206 CO -0.18 0.93 0.03 1.15 -1.00 0.00 0.00 179.01 179.94 1fba h THR 207 N 1.20 1.08 -0.17 1.13 2.02 -0.81 -2.02 112.91 115.33 1fba h THR 207 Ca 0.29 -0.21 0.03 0.00 0.77 0.00 0.00 66.41 67.28 1fba h THR 207 Cb 0.13 1.13 -0.03 0.00 -1.74 0.00 0.00 68.15 67.64 1fba h THR 207 CO -0.04 0.06 0.01 0.58 0.37 0.00 0.00 175.52 176.51 1fba h VAL 208 N -0.00 0.89 -0.19 3.16 2.07 -0.91 -2.80 116.25 118.46 1fba h VAL 208 Ca 0.02 -0.02 -0.11 0.00 0.82 0.00 0.00 66.70 67.41 1fba h VAL 208 Cb 0.08 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 1fba h VAL 208 CO -0.00 0.01 -0.35 -0.07 0.02 0.00 0.00 177.57 177.18 1fba h LEU 209 N 0.07 0.42 -0.69 2.57 3.38 -1.25 -0.52 115.31 119.28 1fba h LEU 209 Ca 0.08 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 1fba h LEU 209 Cb 0.09 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1fba h LEU 209 CO -0.13 0.74 0.36 0.00 0.09 0.00 0.00 178.44 179.51 1fba h ALA 210 N 1.29 0.89 -0.46 1.53 0.00 -1.21 -1.49 119.26 119.80 1fba h ALA 210 Ca 0.04 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 1fba h ALA 210 Cb 0.78 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1fba h ALA 210 CO 0.06 0.42 -0.05 0.00 0.00 0.00 0.00 179.25 179.68 1fba h ALA 211 N 1.18 0.62 0.04 0.00 0.00 -1.20 -1.80 119.26 118.11 1fba h ALA 211 Ca 0.24 -0.30 0.02 0.00 0.00 0.00 0.00 54.91 54.87 1fba h ALA 211 Cb 0.06 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1fba h ALA 211 CO -0.04 0.46 -0.20 0.28 0.00 0.00 0.00 179.25 179.76 1fba h VAL 212 N 0.69 0.54 -0.02 0.00 2.07 -0.70 -1.34 116.25 117.48 1fba h VAL 212 Ca 0.12 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.57 1fba h VAL 212 Cb 0.57 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1fba h VAL 212 CO 0.03 0.00 -0.32 1.88 0.02 0.00 0.00 177.57 179.18 1fba h TYR 213 N -0.35 0.04 -0.51 1.57 0.05 -1.26 -1.93 116.97 114.58 1fba h TYR 213 Ca 0.04 -0.01 -0.05 0.00 0.05 0.00 0.00 58.73 58.77 1fba h TYR 213 Cb 0.40 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 38.11 1fba h TYR 213 CO -0.22 0.36 0.13 -0.22 -1.05 0.00 0.00 178.16 177.16 1fba h LYS 214 N 0.03 0.82 -0.68 4.88 1.63 -1.03 -2.32 116.57 119.90 1fba h LYS 214 Ca 0.00 -0.19 -0.06 0.00 -0.85 0.00 0.00 60.65 59.56 1fba h LYS 214 Cb 0.59 -0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 32.08 1fba h LYS 214 CO 0.04 0.78 0.20 0.00 -3.45 0.00 0.00 179.45 177.02 1fba h ALA 215 N 1.01 1.08 -0.85 5.00 0.00 -0.97 -0.23 119.26 124.29 1fba h ALA 215 Ca 0.16 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1fba h ALA 215 Cb 0.32 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1fba h ALA 215 CO -0.00 0.63 0.46 -0.07 0.00 0.00 0.00 179.25 180.27 1fba h LEU 216 N 1.01 1.06 -0.11 0.00 3.38 -1.26 -0.88 115.31 118.51 1fba h LEU 216 Ca 0.22 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1fba h LEU 216 Cb 0.30 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 1fba h LEU 216 CO -0.01 0.86 0.03 -1.28 0.09 0.00 0.00 178.44 178.13 1fba h SER 217 N 1.18 0.16 -0.90 -0.43 0.87 -1.10 -0.45 113.55 112.88 1fba h SER 217 Ca 0.30 -0.22 0.14 0.00 -1.23 0.00 0.00 61.79 60.78 1fba h SER 217 Cb 0.03 -0.04 -0.07 0.00 -0.44 0.00 0.00 62.40 61.88 1fba h SER 217 CO -0.05 0.34 0.58 0.44 -0.53 0.00 0.00 176.83 177.61 1fba h ASP 218 N -0.02 0.69 -0.37 6.23 3.32 -0.67 -0.77 116.42 124.82 1fba h ASP 218 Ca 0.03 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1fba h ASP 218 Cb 0.24 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1fba h ASP 218 CO -0.00 0.35 0.00 1.41 -1.72 0.00 0.00 179.24 179.28 1fba n HIS 219 N -4.57 0.48 -3.46 4.55 8.25 -0.37 -4.90 115.22 115.21 1fba n HIS 219 Ca 0.18 -0.24 -0.22 0.00 -0.26 0.00 0.00 57.72 57.18 1fba n HIS 219 Cb 0.45 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.63 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 1.02 -2.57 -2.61 4.41 8.25 -0.30 -4.94 115.22 118.48 1fba n HIS 220 Ca 0.18 0.89 -0.41 0.00 -0.26 0.00 0.00 57.72 58.12 1fba n HIS 220 Cb 0.48 -4.62 -0.04 0.00 1.12 0.00 0.00 29.99 26.93 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 -3.28 4.28 -0.75 1.59 1.01 -0.30 -4.96 120.40 117.99 1fba s VAL 221 Ca 0.52 1.84 -0.27 0.00 0.00 0.00 0.00 61.98 64.07 1fba s VAL 221 Cb -0.23 -4.17 0.03 0.00 0.00 0.00 0.00 36.38 32.01 1fba s VAL 221 CO 0.64 0.25 1.28 -0.47 0.00 0.00 0.00 175.10 176.80 1fba s TYR 222 N 0.22 2.31 0.38 5.22 5.04 -1.26 -4.79 117.35 124.47 1fba s TYR 222 Ca 0.50 -0.11 0.06 0.00 -2.44 0.00 0.00 57.07 55.08 1fba s TYR 222 Cb -0.26 -4.62 0.79 0.00 0.35 0.00 0.00 41.96 38.22 1fba s TYR 222 CO 0.31 -2.06 2.00 -0.07 -1.34 0.00 0.00 175.55 174.40 1fba h LEU 223 N 12.96 0.58 -2.05 6.97 3.38 -1.94 -1.35 115.31 133.87 1fba h LEU 223 Ca -0.25 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.71 1fba h LEU 223 Cb 1.05 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.66 1fba h LEU 223 CO 1.29 0.40 -0.01 -0.33 0.09 0.00 0.00 178.44 179.87 1fba h GLU 224 N 0.68 0.00 -0.97 1.13 3.07 -1.90 -1.88 114.58 114.70 1fba h GLU 224 Ca 0.24 0.00 -0.58 0.00 -0.50 0.00 0.00 59.36 58.53 1fba h GLU 224 Cb 0.12 0.00 -0.30 0.00 -0.84 0.00 0.00 28.75 27.73 1fba h GLU 224 CO -0.07 0.01 0.70 0.41 -1.40 0.00 0.00 179.01 178.66 1fba n GLY 225 N -0.42 5.13 3.13 -3.84 0.00 -0.51 -4.35 105.19 104.34 1fba n GLY 225 Ca -0.01 -1.64 -0.08 0.00 0.00 0.00 0.00 46.02 44.29 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 -3.97 0.17 0.20 2.61 -4.23 -0.71 -4.21 115.64 105.51 1fba s THR 226 Ca 0.60 -1.76 0.08 0.00 -1.18 0.00 0.00 61.69 59.43 1fba s THR 226 Cb 0.49 -1.68 -0.05 0.00 1.34 0.00 0.00 72.50 72.60 1fba s THR 226 CO 0.05 -0.77 -0.16 -0.76 -0.54 0.00 0.00 174.62 172.45 1fba s LEU 227 N -2.96 2.53 -0.08 4.79 1.43 -1.06 -3.24 118.68 120.09 1fba s LEU 227 Ca 0.13 -0.98 0.03 0.00 -1.03 0.00 0.00 54.13 52.28 1fba s LEU 227 Cb 0.07 -0.73 -0.02 0.00 0.03 0.00 0.00 46.19 45.55 1fba s LEU 227 CO -0.06 -0.13 -0.17 -0.22 0.23 0.00 0.00 176.35 176.00 1fba s LEU 228 N -3.16 2.53 -0.55 1.79 2.96 -0.52 -1.03 118.68 120.69 1fba s LEU 228 Ca 0.21 -0.34 0.04 0.00 -0.22 0.00 0.00 54.13 53.82 1fba s LEU 228 Cb -0.02 -1.52 0.14 0.00 0.50 0.00 0.00 46.19 45.29 1fba s LEU 228 CO 0.07 0.25 0.32 -0.75 -1.32 0.00 0.00 176.35 174.92 1fba s LYS 229 N -0.14 1.96 0.37 1.98 2.20 0.79 -0.09 119.74 126.80 1fba s LYS 229 Ca -0.02 -2.70 0.07 0.00 -0.36 0.00 0.00 55.97 52.96 1fba s LYS 229 Cb -0.14 -3.11 -0.01 0.00 -1.51 0.00 0.00 37.83 33.06 1fba s LYS 229 CO 0.04 -1.18 0.45 -1.25 -0.36 0.00 0.00 175.35 173.04 1fba s PRO 230 N -0.50 2.88 0.55 4.03 0.04 -1.26 -3.68 135.00 137.05 1fba s PRO 230 Ca 0.20 -1.21 -0.18 0.00 0.04 0.00 0.00 61.00 59.85 1fba s PRO 230 Cb -0.19 -2.67 -0.06 0.00 0.04 0.00 0.00 34.50 31.63 1fba s PRO 230 CO -0.05 -0.06 1.07 0.54 0.04 0.00 0.00 177.00 178.54 1fba s ASN 231 N -4.18 5.91 0.66 6.66 4.22 -1.26 -1.76 114.94 125.19 1fba s ASN 231 Ca 0.47 1.96 -0.14 0.00 -2.14 0.00 0.00 52.86 53.02 1fba s ASN 231 Cb -0.08 -2.56 -0.01 0.00 1.28 0.00 0.00 41.25 39.89 1fba s ASN 231 CO 0.30 -1.08 1.07 -0.04 -2.04 0.00 0.00 177.10 175.32 1fba s MET 232 N -3.57 2.97 -0.35 3.55 -1.94 -1.26 -4.93 119.30 113.78 1fba s MET 232 Ca 0.68 1.18 -0.25 0.00 -1.71 0.00 0.00 55.69 55.58 1fba s MET 232 Cb -0.18 -1.99 0.01 0.00 2.01 0.00 0.00 34.83 34.68 1fba s MET 232 CO 0.28 -1.08 0.87 0.08 -0.01 0.00 0.00 175.02 175.16 1fba s VAL 233 N -2.64 4.67 0.07 -6.03 1.01 -1.26 -5.01 120.40 111.20 1fba s VAL 233 Ca 0.63 1.16 -0.05 0.00 0.00 0.00 0.00 61.98 63.72 1fba s VAL 233 Cb -0.17 -4.26 -0.02 0.00 0.00 0.00 0.00 36.38 31.93 1fba s VAL 233 CO 0.45 -0.44 0.08 0.42 0.00 0.00 0.00 175.10 175.62 1fba s THR 234 N 3.27 0.18 1.08 3.92 -4.23 -1.26 -4.54 115.64 114.05 1fba s THR 234 Ca 0.36 -1.45 -0.13 0.00 -1.18 0.00 0.00 61.69 59.29 1fba s THR 234 Cb -0.13 -1.38 0.23 0.00 1.34 0.00 0.00 72.50 72.57 1fba s THR 234 CO 0.16 -0.80 1.06 0.00 -0.54 0.00 0.00 174.62 174.51 1fba s ALA 235 N -3.77 0.29 0.84 3.99 0.00 -1.26 -4.69 121.76 117.16 1fba s ALA 235 Ca 0.05 -0.25 -0.10 0.00 0.00 0.00 0.00 51.96 51.65 1fba s ALA 235 Cb 0.06 -3.18 0.10 0.00 0.00 0.00 0.00 23.12 20.10 1fba s ALA 235 CO -0.10 -3.31 1.12 0.20 0.00 0.00 0.00 175.76 173.67 1fba s GLY 236 N -3.03 1.68 0.43 0.00 0.00 0.14 -4.93 107.32 101.61 1fba s GLY 236 Ca 0.67 0.40 0.12 0.00 0.00 0.00 0.00 44.72 45.91 1fba s GLY 236 CO 0.61 0.78 2.01 -1.61 0.00 0.00 0.00 173.10 174.89 1fba h GLN 237 N -1.47 0.41 -0.56 2.90 5.75 -0.84 -2.01 115.11 119.29 1fba h GLN 237 Ca -0.44 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.04 1fba h GLN 237 Cb 1.25 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 29.71 1fba h GLN 237 CO 0.47 0.27 0.00 0.43 -2.65 0.00 0.00 178.83 177.35 1fba n SER 238 N -4.47 5.30 -4.78 -0.69 7.64 -0.42 -4.93 113.62 111.27 1fba n SER 238 Ca 0.07 -2.82 -0.23 0.00 1.01 0.00 0.00 58.87 56.90 1fba n SER 238 Cb 0.27 -0.64 -0.06 0.00 -1.01 0.00 0.00 64.21 62.77 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 -2.54 3.70 0.35 -0.43 0.00 -0.76 -4.73 121.76 117.35 1fba s ALA 240 Ca 0.52 -1.98 -0.28 0.00 0.00 0.00 0.00 51.96 50.22 1fba s ALA 240 Cb 0.39 -0.64 -0.12 0.00 0.00 0.00 0.00 23.12 22.75 1fba s ALA 240 CO 0.17 -0.14 1.42 1.17 0.00 0.00 0.00 175.76 178.39 1fba n LYS 241 N -1.30 2.44 -2.23 0.00 4.81 -1.26 -4.86 118.16 115.75 1fba n LYS 241 Ca -0.00 0.86 -0.38 0.00 -0.87 0.00 0.00 58.31 57.92 1fba n LYS 241 Cb 0.63 -2.53 -0.01 0.00 0.02 0.00 0.00 35.03 33.14 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 -1.77 3.85 0.32 1.64 1.02 -1.26 -4.83 119.74 118.70 1fba s LYS 242 Ca 0.56 1.85 0.02 0.00 0.02 0.00 0.00 55.97 58.42 1fba s LYS 242 Cb -0.52 -2.52 -0.03 0.00 -0.52 0.00 0.00 37.83 34.24 1fba s LYS 242 CO 0.61 -0.50 0.49 -0.80 -0.92 0.00 0.00 175.35 174.23 1fba s ASN 243 N -1.21 6.26 0.62 2.83 -0.87 -1.26 -5.10 114.94 116.21 1fba s ASN 243 Ca 0.61 0.28 -0.13 0.00 -1.57 0.00 0.00 52.86 52.05 1fba s ASN 243 Cb -0.31 -1.90 -0.03 0.00 -0.02 0.00 0.00 41.25 38.99 1fba s ASN 243 CO 0.38 -0.25 1.03 0.42 -2.57 0.00 0.00 177.10 176.11 1fba s THR 244 N -2.21 4.36 0.39 1.60 -4.23 -1.26 -4.90 115.64 109.39 1fba s THR 244 Ca 0.39 0.87 0.11 0.00 -1.18 0.00 0.00 61.69 61.88 1fba s THR 244 Cb -0.09 -3.64 0.33 0.00 1.34 0.00 0.00 72.50 70.43 1fba s THR 244 CO 0.33 -0.90 1.91 -0.65 -0.54 0.00 0.00 174.62 174.78 1fba h PRO 245 N -0.11 0.57 -0.27 3.99 0.11 -1.98 -1.54 132.00 132.77 1fba h PRO 245 Ca -0.45 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 65.50 1fba h PRO 245 Cb 1.20 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1fba h PRO 245 CO 0.60 0.38 -0.37 0.93 -0.21 0.00 0.00 178.00 179.32 1fba h GLU 246 N 0.59 0.61 -0.21 1.05 3.07 -1.95 -0.43 114.58 117.30 1fba h GLU 246 Ca 0.38 -0.30 -0.08 0.00 -0.50 0.00 0.00 59.36 58.86 1fba h GLU 246 Cb 0.65 -0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.55 1fba h GLU 246 CO -0.14 0.89 -0.17 0.93 -1.40 0.00 0.00 179.01 179.11 1fba h GLU 247 N 0.51 0.49 -0.15 2.33 5.08 -1.69 -1.71 114.58 119.44 1fba h GLU 247 Ca 0.05 -0.25 -0.00 0.00 -1.00 0.00 0.00 59.36 58.16 1fba h GLU 247 Cb 0.88 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 1fba h GLU 247 CO 0.08 0.81 0.09 0.82 -1.00 0.00 0.00 179.01 179.81 1fba h ILE 248 N 0.18 1.07 -0.24 3.13 2.04 -1.25 -2.25 117.51 120.19 1fba h ILE 248 Ca 0.04 -0.18 0.03 0.00 1.00 0.00 0.00 64.86 65.75 1fba h ILE 248 Cb 0.70 0.93 -0.03 0.00 -0.74 0.00 0.00 36.82 37.68 1fba h ILE 248 CO 0.04 0.07 0.05 0.00 0.00 0.00 0.00 178.15 178.31 1fba h ALA 249 N 1.01 0.24 0.01 1.87 0.00 -1.04 0.10 119.26 121.46 1fba h ALA 249 Ca 0.05 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1fba h ALA 249 Cb 0.03 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1fba h ALA 249 CO -0.01 -0.38 -0.01 1.25 0.00 0.00 0.00 179.25 180.11 1fba h LEU 250 N 0.14 -0.01 -0.49 0.00 5.85 -1.23 -0.97 115.31 118.59 1fba h LEU 250 Ca 0.11 -0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.81 1fba h LEU 250 Cb 0.11 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 1fba h LEU 250 CO -0.14 0.04 0.27 0.00 -0.34 0.00 0.00 178.44 178.27 1fba h ALA 251 N 0.92 0.62 0.09 1.25 0.00 -1.28 0.46 119.26 121.32 1fba h ALA 251 Ca -0.00 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1fba h ALA 251 Cb 0.07 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1fba h ALA 251 CO 0.00 -0.06 -0.04 1.15 0.00 0.00 0.00 179.25 180.29 1fba h THR 252 N 0.53 0.95 -0.29 0.00 2.02 -0.85 -1.54 112.91 113.74 1fba h THR 252 Ca 0.21 -0.16 -0.10 0.00 0.77 0.00 0.00 66.41 67.12 1fba h THR 252 Cb 0.08 1.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 1fba h THR 252 CO -0.12 0.04 -0.25 0.58 0.37 0.00 0.00 175.52 176.14 1fba h VAL 253 N -0.20 1.27 0.08 3.16 2.07 -0.98 -1.74 116.25 119.90 1fba h VAL 253 Ca -0.01 -1.30 -0.00 0.00 0.82 0.00 0.00 66.70 66.20 1fba h VAL 253 Cb 0.16 1.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 1fba h VAL 253 CO 0.02 0.42 -0.04 1.56 0.02 0.00 0.00 177.57 179.55 1fba h GLN 254 N 0.50 -0.10 -0.71 1.57 4.20 -0.85 -0.33 115.11 119.39 1fba h GLN 254 Ca 0.07 0.01 0.08 0.00 0.06 0.00 0.00 58.65 58.86 1fba h GLN 254 Cb 0.70 0.02 -0.06 0.00 0.30 0.00 0.00 27.48 28.43 1fba h GLN 254 CO 0.05 -0.03 0.39 0.00 -0.67 0.00 0.00 178.83 178.57 1fba h ALA 255 N 0.78 0.97 -0.20 3.87 0.00 -0.97 -1.37 119.26 122.35 1fba h ALA 255 Ca -0.01 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1fba h ALA 255 Cb 0.12 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1fba h ALA 255 CO 0.02 0.03 -0.16 -0.07 0.00 0.00 0.00 179.25 179.07 1fba h LEU 256 N 0.69 0.48 -1.90 0.00 3.38 -1.24 -2.97 115.31 113.74 1fba h LEU 256 Ca 0.33 -0.45 0.10 0.00 0.09 0.00 0.00 57.88 57.95 1fba h LEU 256 Cb 0.27 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1fba h LEU 256 CO -0.22 0.83 0.30 0.03 0.09 0.00 0.00 178.44 179.47 1fba h ARG 257 N 0.13 0.11 0.00 1.13 3.08 -0.66 -0.51 114.38 117.65 1fba h ARG 257 Ca 0.04 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1fba h ARG 257 Cb 0.68 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.71 1fba h ARG 257 CO 0.04 0.07 -0.20 0.54 -1.07 0.00 0.00 179.97 179.35 1fba n ARG 258 N -4.44 0.05 0.00 0.04 1.74 -0.55 -4.58 116.66 108.92 1fba n ARG 258 Ca 0.07 0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.18 1fba n ARG 258 Cb 0.42 -1.55 0.00 0.00 -1.02 0.00 0.00 32.46 30.31 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 -1.63 0.00 -3.17 0.55 -2.24 -0.81 -5.01 114.28 101.98 1fba n THR 259 Ca 0.06 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.41 1fba n THR 259 Cb 0.36 -0.11 -0.07 0.00 -2.10 0.00 0.00 70.33 68.40 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 -1.13 4.90 0.53 2.28 1.01 -0.26 -4.77 120.40 122.96 1fba s VAL 260 Ca 0.00 0.06 -0.22 0.00 0.00 0.00 0.00 61.98 61.82 1fba s VAL 260 Cb 0.00 -4.14 -0.06 0.00 0.00 0.00 0.00 36.38 32.17 1fba s VAL 260 CO 0.00 -0.51 1.17 -2.65 0.00 0.00 0.00 175.10 173.11 1fba n PRO 261 N 6.06 1.42 0.10 2.72 -0.02 -1.26 -4.81 135.00 139.21 1fba n PRO 261 Ca -0.03 0.52 0.17 0.00 -2.02 0.00 0.00 63.50 62.14 1fba n PRO 261 Cb 0.48 -2.34 0.70 0.00 -0.02 0.00 0.00 33.50 32.32 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 1.24 2.27 -0.03 3.55 0.00 -1.96 -1.32 119.26 123.01 1fba h ALA 262 Ca -0.49 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.42 1fba h ALA 262 Cb 1.33 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.14 1fba h ALA 262 CO 0.55 -0.44 0.03 0.00 0.00 0.00 0.00 179.25 179.40 1fba h ALA 263 N 1.80 1.57 -2.41 0.00 0.00 -1.94 -3.42 119.26 114.87 1fba h ALA 263 Ca 0.16 -0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.54 1fba h ALA 263 Cb 0.68 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.49 1fba h ALA 263 CO -0.00 -0.04 0.99 0.08 0.00 0.00 0.00 179.25 180.28 1fba s VAL 264 N -4.64 3.22 0.25 0.00 1.01 -0.50 -3.34 120.40 116.41 1fba s VAL 264 Ca -0.05 0.60 -0.02 0.00 0.00 0.00 0.00 61.98 62.51 1fba s VAL 264 Cb 0.15 -3.39 0.10 0.00 0.00 0.00 0.00 36.38 33.25 1fba s VAL 264 CO 0.55 -0.01 1.75 0.74 0.00 0.00 0.00 175.10 178.12 1fba h THR 265 N 4.96 1.25 -2.31 3.92 2.02 -1.68 -3.44 112.91 117.63 1fba h THR 265 Ca -0.42 -1.04 0.13 0.00 0.77 0.00 0.00 66.41 65.86 1fba h THR 265 Cb 1.19 0.92 -0.13 0.00 -1.74 0.00 0.00 68.15 68.39 1fba h THR 265 CO 0.93 0.36 0.49 -0.83 0.37 0.00 0.00 175.52 176.84 1fba s GLY 266 N -3.74 -0.39 -0.17 2.16 0.00 -1.26 -3.49 107.32 100.43 1fba s GLY 266 Ca -0.09 0.68 0.01 0.00 0.00 0.00 0.00 44.72 45.32 1fba s GLY 266 CO 0.81 0.21 -0.19 0.14 0.00 0.00 0.00 173.10 174.07 1fba s VAL 267 N -3.19 2.19 -0.35 1.40 1.01 -0.47 -1.44 120.40 119.55 1fba s VAL 267 Ca 0.08 -0.91 0.02 0.00 0.00 0.00 0.00 61.98 61.17 1fba s VAL 267 Cb -0.01 -1.91 0.10 0.00 0.00 0.00 0.00 36.38 34.55 1fba s VAL 267 CO -0.05 0.53 0.08 0.42 0.00 0.00 0.00 175.10 176.08 1fba s THR 268 N 1.17 2.58 0.35 3.92 -4.23 0.87 -0.31 115.64 119.99 1fba s THR 268 Ca 0.02 -2.16 -0.27 0.00 -1.18 0.00 0.00 61.69 58.10 1fba s THR 268 Cb -0.14 -2.81 -0.09 0.00 1.34 0.00 0.00 72.50 70.80 1fba s THR 268 CO -0.09 -0.55 1.21 -0.36 -0.54 0.00 0.00 174.62 174.29 1fba s PHE 269 N 1.00 3.16 0.48 3.99 0.08 0.50 -4.19 117.98 123.00 1fba s PHE 269 Ca 0.08 1.53 -0.11 0.00 0.12 0.00 0.00 56.93 58.55 1fba s PHE 269 Cb -0.20 -3.48 -0.06 0.00 -0.57 0.00 0.00 43.02 38.71 1fba s PHE 269 CO -0.06 -1.38 0.87 -0.48 -0.10 0.00 0.00 175.22 174.06 1fba s LEU 270 N -2.03 3.64 0.00 -0.37 0.05 -0.72 -1.52 118.68 117.73 1fba s LEU 270 Ca 0.52 1.24 0.22 0.00 0.05 0.00 0.00 54.13 56.15 1fba s LEU 270 Cb -0.34 -4.18 -0.12 0.00 -2.05 0.00 0.00 46.19 39.50 1fba s LEU 270 CO 0.45 -0.56 0.98 -1.54 -0.55 0.00 0.00 176.35 175.13 1fba n SER 271 N -1.80 0.99 0.00 1.48 3.41 -1.26 -4.26 113.62 112.19 1fba n SER 271 Ca 0.04 -0.94 0.00 0.00 -0.26 0.00 0.00 58.87 57.71 1fba n SER 271 Cb 0.54 0.88 0.00 0.00 -0.26 0.00 0.00 64.21 65.37 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 1.49 3.63 1.32 5.00 0.00 -1.26 -1.82 105.19 113.56 1fba n GLY 272 Ca 0.05 -0.06 0.08 0.00 0.00 0.00 0.00 46.02 46.09 1fba n GLY 272 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fba n GLY 273 N 0.00 3.46 3.78 -0.02 0.00 -1.26 -4.81 105.19 106.34 1fba n GLY 273 Ca 0.00 -0.95 -0.36 0.00 0.00 0.00 0.00 46.02 44.71 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 -2.61 4.06 0.86 1.61 -0.21 -0.75 -3.21 119.66 119.40 1fba s GLN 274 Ca 0.47 1.51 -0.11 0.00 0.02 0.00 0.00 55.36 57.25 1fba s GLN 274 Cb 0.36 -2.45 0.11 0.00 1.00 0.00 0.00 33.01 32.02 1fba s GLN 274 CO 0.13 -0.24 1.09 -1.54 -2.12 0.00 0.00 175.29 172.62 1fba s SER 275 N -1.61 3.78 0.18 5.90 1.04 -1.26 -4.40 113.70 117.33 1fba s SER 275 Ca 0.60 1.66 -0.15 0.00 0.48 0.00 0.00 55.95 58.54 1fba s SER 275 Cb -0.22 -2.33 0.16 0.00 0.10 0.00 0.00 66.02 63.73 1fba s SER 275 CO 0.27 -2.47 1.67 -0.33 0.98 0.00 0.00 173.24 173.36 1fba h GLU 276 N -1.43 0.05 -0.33 4.02 5.08 -1.77 -1.47 114.58 118.73 1fba h GLU 276 Ca -0.47 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 57.85 1fba h GLU 276 Cb 1.26 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 1fba h GLU 276 CO 0.52 0.03 0.05 0.93 -1.00 0.00 0.00 179.01 179.55 1fba h GLU 277 N 0.05 0.55 -0.45 2.33 4.39 -1.86 -2.93 114.58 116.66 1fba h GLU 277 Ca 0.24 -0.15 0.04 0.00 0.34 0.00 0.00 59.36 59.83 1fba h GLU 277 Cb 0.36 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.91 1fba h GLU 277 CO -0.45 0.64 0.21 0.93 -1.16 0.00 0.00 179.01 179.18 1fba h GLU 278 N 0.38 0.41 -0.64 2.33 5.08 -1.86 0.51 114.58 120.80 1fba h GLU 278 Ca 0.10 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.45 1fba h GLU 278 Cb 0.36 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 1fba h GLU 278 CO 0.01 0.27 0.43 0.00 -1.00 0.00 0.00 179.01 178.72 1fba h ALA 279 N 1.25 1.57 0.06 3.43 0.00 -1.23 0.18 119.26 124.51 1fba h ALA 279 Ca 0.20 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1fba h ALA 279 Cb 0.13 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1fba h ALA 279 CO -0.16 0.39 -0.03 1.15 0.00 0.00 0.00 179.25 180.61 1fba h THR 280 N 0.85 1.28 -0.48 0.00 2.02 -1.25 -2.56 112.91 112.76 1fba h THR 280 Ca 0.24 -1.40 0.04 0.00 0.77 0.00 0.00 66.41 66.06 1fba h THR 280 Cb -0.06 2.16 -0.04 0.00 -1.74 0.00 0.00 68.15 68.47 1fba h THR 280 CO -0.06 0.34 0.24 0.58 0.37 0.00 0.00 175.52 176.99 1fba h VAL 281 N -0.73 0.96 -0.42 3.16 2.07 -0.77 -1.26 116.25 119.25 1fba h VAL 281 Ca -0.01 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 1fba h VAL 281 Cb 0.61 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 1fba h VAL 281 CO 0.01 0.09 0.18 0.78 0.02 0.00 0.00 177.57 178.65 1fba h ASN 282 N 0.48 0.57 -0.88 0.57 2.35 -0.73 -1.72 115.58 116.22 1fba h ASN 282 Ca 0.21 -0.16 -0.01 0.00 -0.55 0.00 0.00 56.30 55.80 1fba h ASN 282 Cb 0.12 -0.15 -0.04 0.00 0.05 0.00 0.00 38.32 38.30 1fba h ASN 282 CO -0.15 0.57 0.52 0.25 -1.65 0.00 0.00 177.43 176.97 1fba h LEU 283 N 0.53 1.06 -0.47 1.61 5.85 -1.04 -1.59 115.31 121.27 1fba h LEU 283 Ca 0.14 -0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 1fba h LEU 283 Cb 0.17 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 1fba h LEU 283 CO -0.01 0.83 0.16 -1.28 -0.34 0.00 0.00 178.44 177.79 1fba h SER 284 N 1.22 0.67 -0.69 1.25 0.87 -0.81 -2.43 113.55 113.63 1fba h SER 284 Ca 0.31 -0.19 -0.01 0.00 -1.23 0.00 0.00 61.79 60.67 1fba h SER 284 Cb -0.03 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 61.72 1fba h SER 284 CO -0.06 0.68 0.38 0.00 -0.53 0.00 0.00 176.83 177.31 1fba h ALA 285 N 1.01 0.89 -0.94 6.23 0.00 -0.95 -2.44 119.26 123.06 1fba h ALA 285 Ca 0.15 -0.11 0.10 0.00 0.00 0.00 0.00 54.91 55.05 1fba h ALA 285 Cb 0.24 -0.28 -0.08 0.00 0.00 0.00 0.00 17.79 17.68 1fba h ALA 285 CO -0.01 0.40 0.58 0.82 0.00 0.00 0.00 179.25 181.05 1fba h ILE 286 N 0.95 0.96 0.00 0.00 2.04 -1.09 -1.68 117.51 118.70 1fba h ILE 286 Ca 0.24 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.77 1fba h ILE 286 Cb 0.04 -0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.02 1fba h ILE 286 CO -0.04 0.18 0.00 0.59 0.00 0.00 0.00 178.15 178.88 1fba n ASN 287 N -4.63 0.00 0.00 1.72 3.02 -0.93 -3.06 115.26 111.38 1fba n ASN 287 Ca 0.16 -1.53 0.00 0.00 -0.03 0.00 0.00 54.58 53.18 1fba n ASN 287 Cb 0.28 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.45 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 -0.69 1.52 -4.71 6.41 3.02 -0.65 -4.62 115.26 115.54 1fba n ASN 288 Ca 0.09 -1.59 -0.42 0.00 -0.03 0.00 0.00 54.58 52.63 1fba n ASN 288 Cb 0.04 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.18 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 -0.59 3.14 -0.11 2.41 1.01 -1.13 -4.88 120.40 120.26 1fba s VAL 289 Ca 0.00 0.81 -0.06 0.00 0.00 0.00 0.00 61.98 62.73 1fba s VAL 289 Cb 0.00 -3.52 -0.23 0.00 0.00 0.00 0.00 36.38 32.63 1fba s VAL 289 CO 0.00 0.06 3.27 -0.81 0.00 0.00 0.00 175.10 177.62 1fba n PRO 290 N 4.07 1.91 -4.14 2.72 -0.04 -1.26 -4.76 135.00 133.50 1fba n PRO 290 Ca 0.12 -0.98 -0.10 0.00 -0.04 0.00 0.00 63.50 62.50 1fba n PRO 290 Cb 0.41 -2.01 -0.10 0.00 -0.04 0.00 0.00 33.50 31.76 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 0.01 2.47 0.10 1.53 1.43 -1.26 -5.11 118.68 117.85 1fba s LEU 291 Ca 0.60 -0.95 -0.31 0.00 -1.03 0.00 0.00 54.13 52.45 1fba s LEU 291 Cb 0.28 -0.04 -0.08 0.00 0.03 0.00 0.00 46.19 46.38 1fba s LEU 291 CO -0.00 -0.46 1.49 -0.63 0.23 0.00 0.00 176.35 176.98 1fba s ILE 292 N -3.38 3.15 -0.41 -0.59 1.01 -1.26 -4.98 121.20 114.74 1fba s ILE 292 Ca 0.08 0.75 0.03 0.00 0.00 0.00 0.00 60.65 61.51 1fba s ILE 292 Cb 0.04 -3.48 0.12 0.00 0.01 0.00 0.00 42.46 39.15 1fba s ILE 292 CO -0.05 0.03 0.17 -0.13 0.00 0.00 0.00 174.94 174.96 1fba s ARG 293 N 1.68 1.44 0.00 2.79 0.52 -1.26 -4.95 118.95 119.16 1fba s ARG 293 Ca 0.68 -1.99 0.22 0.00 -0.52 0.00 0.00 55.73 54.12 1fba s ARG 293 Cb -0.38 -2.79 1.05 0.00 0.52 0.00 0.00 34.95 33.35 1fba s ARG 293 CO 0.30 -1.06 1.72 -0.35 0.02 0.00 0.00 175.30 175.94 1fba n PRO 294 N 3.83 0.19 -4.38 3.54 -0.04 -1.26 -4.78 135.00 132.09 1fba n PRO 294 Ca 0.04 0.09 -0.23 0.00 -0.04 0.00 0.00 63.50 63.37 1fba n PRO 294 Cb 0.37 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.22 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 -2.75 2.03 0.40 0.54 0.51 -1.26 -4.98 118.94 113.43 1fba s TRP 295 Ca 0.17 -0.42 -0.27 0.00 -2.12 0.00 0.00 56.10 53.46 1fba s TRP 295 Cb 0.15 -0.98 -0.10 0.00 -0.81 0.00 0.00 33.47 31.73 1fba s TRP 295 CO 0.37 0.44 1.45 0.00 -0.51 0.00 0.00 176.95 178.70 1fba s ALA 296 N -2.09 3.43 -0.33 0.98 0.00 -1.23 -4.88 121.76 117.64 1fba s ALA 296 Ca 0.20 1.50 0.03 0.00 0.00 0.00 0.00 51.96 53.69 1fba s ALA 296 Cb -0.06 -3.59 0.10 0.00 0.00 0.00 0.00 23.12 19.57 1fba s ALA 296 CO 0.09 -1.08 0.06 -0.51 0.00 0.00 0.00 175.76 174.32 1fba s LEU 297 N -2.33 4.29 0.00 0.00 1.43 -1.26 -1.36 118.68 119.45 1fba s LEU 297 Ca 0.56 -2.06 0.00 0.00 -1.03 0.00 0.00 54.13 51.60 1fba s LEU 297 Cb -0.45 -1.49 0.00 0.00 0.03 0.00 0.00 46.19 44.29 1fba s LEU 297 CO 0.59 -0.39 0.00 1.07 0.23 0.00 0.00 176.35 177.86 1fba n THR 298 N 4.36 0.00 -4.31 5.49 5.66 0.58 -4.62 114.28 121.44 1fba n THR 298 Ca 0.03 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.75 1fba n THR 298 Cb 0.42 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.09 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 -0.60 2.55 -0.40 1.09 -0.71 -1.26 -0.37 117.98 118.27 1fba s PHE 299 Ca 0.00 -0.26 0.03 0.00 -1.04 0.00 0.00 56.93 55.67 1fba s PHE 299 Cb 0.00 -1.30 0.17 0.00 -1.21 0.00 0.00 43.02 40.68 1fba s PHE 299 CO 0.00 0.45 0.34 0.45 -1.34 0.00 0.00 175.22 175.12 1fba s SER 300 N -2.46 1.51 -0.04 1.98 0.15 -0.57 -0.69 113.70 113.57 1fba s SER 300 Ca 0.21 -2.83 0.01 0.00 0.70 0.00 0.00 55.95 54.03 1fba s SER 300 Cb -0.10 -0.30 -0.03 0.00 -1.71 0.00 0.00 66.02 63.88 1fba s SER 300 CO 0.12 -0.19 -0.02 -0.31 1.20 0.00 0.00 173.24 174.04 1fba s TYR 301 N 0.29 3.05 0.00 3.44 2.02 -0.48 -4.42 117.35 121.26 1fba s TYR 301 Ca 0.30 0.09 0.00 0.00 -0.37 0.00 0.00 57.07 57.09 1fba s TYR 301 Cb -0.01 -1.71 0.00 0.00 -0.40 0.00 0.00 41.96 39.84 1fba s TYR 301 CO -0.16 0.43 0.00 0.41 -1.57 0.00 0.00 175.55 174.66 1fba n GLY 302 N 1.79 0.18 0.34 0.71 0.00 -1.26 -0.73 105.19 106.21 1fba n GLY 302 Ca -0.16 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.91 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 0.63 0.00 1.61 3.08 -1.97 -1.47 114.38 116.27 1fba h ARG 303 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1fba h ARG 303 Cb 0.00 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 29.91 1fba h ARG 303 CO 0.00 0.42 0.00 0.00 -1.07 0.00 0.00 179.97 179.32 1fba n ALA 304 N -2.47 1.53 -0.01 0.04 0.00 -1.26 -1.06 120.51 117.28 1fba n ALA 304 Ca 0.08 0.06 0.08 0.00 0.00 0.00 0.00 53.44 53.66 1fba n ALA 304 Cb 0.17 -1.31 -0.13 0.00 0.00 0.00 0.00 19.45 18.18 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 -2.01 0.00 -0.00 0.00 4.77 -0.60 -4.66 117.00 114.50 1fba n LEU 305 Ca 0.02 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.02 1fba n LEU 305 Cb 0.17 0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.24 1fba n LEU 305 CO 0.15 0.01 -0.34 0.00 -1.33 0.00 0.00 177.39 175.89 1fba n GLN 306 N -2.12 2.28 -0.05 3.23 6.02 -0.73 -4.65 117.38 121.35 1fba n GLN 306 Ca -0.04 -0.03 -0.08 0.00 -0.01 0.00 0.00 57.00 56.84 1fba n GLN 306 Cb 0.47 -0.96 -0.02 0.00 1.02 0.00 0.00 30.24 30.75 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 0.54 -0.13 0.00 -1.58 0.00 -1.38 -0.81 119.26 115.90 1fba h ALA 307 Ca 0.00 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1fba h ALA 307 Cb 0.18 0.52 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1fba h ALA 307 CO 0.00 -0.67 -0.33 0.77 0.00 0.00 0.00 179.25 179.02 1fba h SER 308 N -0.25 0.00 0.21 0.00 0.02 -1.85 -2.63 113.55 109.06 1fba h SER 308 Ca 0.14 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.08 1fba h SER 308 Cb 0.47 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.01 1fba h SER 308 CO -0.40 0.33 -0.10 0.58 -1.14 0.00 0.00 176.83 176.10 1fba h VAL 309 N 0.00 0.84 -0.51 2.27 2.07 -1.46 -0.54 116.25 118.92 1fba h VAL 309 Ca -0.00 -0.27 0.05 0.00 0.82 0.00 0.00 66.70 67.30 1fba h VAL 309 Cb 0.64 1.00 -0.05 0.00 -1.52 0.00 0.00 31.29 31.36 1fba h VAL 309 CO 0.04 0.06 0.24 -0.07 0.02 0.00 0.00 177.57 177.87 1fba h LEU 310 N -0.42 0.32 -0.51 2.57 3.38 -1.14 0.02 115.31 119.53 1fba h LEU 310 Ca -0.03 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1fba h LEU 310 Cb 0.32 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1fba h LEU 310 CO 0.05 0.22 0.19 -0.09 0.09 0.00 0.00 178.44 178.90 1fba h ARG 311 N 0.47 0.77 -0.43 1.13 2.43 -1.36 0.49 114.38 117.89 1fba h ARG 311 Ca 0.23 -0.15 -0.14 0.00 -0.81 0.00 0.00 59.98 59.12 1fba h ARG 311 Cb 0.18 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 1fba h ARG 311 CO -0.18 0.69 -0.28 0.00 -1.51 0.00 0.00 179.97 178.69 1fba h ALA 312 N 1.04 0.70 0.23 2.80 0.00 -0.65 -3.28 119.26 120.11 1fba h ALA 312 Ca 0.17 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1fba h ALA 312 Cb 0.22 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1fba h ALA 312 CO -0.01 0.67 -0.11 2.35 0.00 0.00 0.00 179.25 182.15 1fba h TRP 313 N 0.78 -0.29 -3.67 0.00 7.01 -0.83 -3.42 115.95 115.53 1fba h TRP 313 Ca 0.09 -0.01 -0.33 0.00 2.11 0.00 0.00 58.89 60.76 1fba h TRP 313 Cb 0.84 0.09 -0.01 0.00 -2.10 0.00 0.00 29.16 27.98 1fba h TRP 313 CO 0.05 0.05 -0.43 0.00 -2.79 0.00 0.00 178.44 175.33 1fba n ALA 314 N -2.43 -0.75 -1.01 2.65 0.00 0.15 -1.76 120.51 117.36 1fba n ALA 314 Ca -0.09 0.14 -0.00 0.00 0.00 0.00 0.00 53.44 53.48 1fba n ALA 314 Cb 0.24 -1.99 -0.00 0.00 0.00 0.00 0.00 19.45 17.70 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 -0.95 0.38 3.48 0.00 0.00 -1.26 -4.99 105.19 101.85 1fba n GLY 315 Ca -0.17 -0.05 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.71 3.64 0.60 1.61 1.02 -0.72 -4.99 119.74 120.19 1fba s LYS 316 Ca 0.00 -0.54 0.30 0.00 0.02 0.00 0.00 55.97 55.75 1fba s LYS 316 Cb 0.00 -2.89 1.76 0.00 -0.52 0.00 0.00 37.83 36.19 1fba s LYS 316 CO 0.00 0.24 2.16 0.87 -0.92 0.00 0.00 175.35 177.69 1fba h LYS 317 N 6.71 0.00 0.00 1.68 6.56 -1.95 0.18 116.57 129.74 1fba h LYS 317 Ca -0.31 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.28 1fba h LYS 317 Cb 1.19 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.85 1fba h LYS 317 CO 0.62 0.00 0.00 0.93 -2.06 0.00 0.00 179.45 178.94 1fba h GLU 318 N 0.00 0.00 -0.67 3.15 3.07 -1.94 -3.09 114.58 115.10 1fba h GLU 318 Ca 0.05 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.91 1fba h GLU 318 Cb 0.32 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.23 1fba h GLU 318 CO -0.00 0.00 0.00 0.09 -1.40 0.00 0.00 179.01 177.70 1fba n ASN 319 N -3.07 4.58 -0.16 1.42 3.02 0.05 -4.54 115.26 116.56 1fba n ASN 319 Ca 0.02 -2.35 -0.04 0.00 -0.03 0.00 0.00 54.58 52.18 1fba n ASN 319 Cb 0.39 -0.56 0.05 0.00 -0.61 0.00 0.00 39.78 39.05 1fba n ASN 319 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1fba h ILE 320 N 4.11 0.95 -0.33 2.41 2.04 -1.59 0.20 117.51 125.31 1fba h ILE 320 Ca 0.00 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 1fba h ILE 320 Cb 1.35 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 37.84 1fba h ILE 320 CO 0.18 0.09 0.18 0.00 0.00 0.00 0.00 178.15 178.60 1fba h ALA 321 N 1.27 0.43 -0.34 1.87 0.00 -1.86 -0.61 119.26 120.02 1fba h ALA 321 Ca 0.22 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1fba h ALA 321 Cb 0.14 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1fba h ALA 321 CO -0.16 -0.05 0.19 0.00 0.00 0.00 0.00 179.25 179.23 1fba h ALA 322 N 1.05 0.43 0.32 0.00 0.00 -1.80 -0.89 119.26 118.38 1fba h ALA 322 Ca 0.12 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1fba h ALA 322 Cb 0.06 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1fba h ALA 322 CO -0.02 -0.05 -0.24 0.78 0.00 0.00 0.00 179.25 179.72 1fba h GLY 323 N 0.43 -0.58 1.70 0.00 0.00 -0.81 -2.25 103.07 101.56 1fba h GLY 323 Ca 0.12 0.27 -0.02 0.00 0.00 0.00 0.00 47.33 47.70 1fba h GLY 323 CO -0.02 -0.23 0.10 1.46 0.00 0.00 0.00 176.54 177.85 1fba h GLN 324 N -0.56 0.39 -0.55 4.80 4.20 -0.97 -2.51 115.11 119.92 1fba h GLN 324 Ca -0.03 -0.04 -0.07 0.00 0.06 0.00 0.00 58.65 58.56 1fba h GLN 324 Cb 0.48 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.17 1fba h GLN 324 CO 0.00 0.34 0.05 -0.91 -0.67 0.00 0.00 178.83 177.64 1fba h ASN 325 N 0.39 0.90 -0.87 1.46 2.35 -0.95 -1.03 115.58 117.82 1fba h ASN 325 Ca 0.10 -0.28 -0.00 0.00 -0.55 0.00 0.00 56.30 55.57 1fba h ASN 325 Cb 0.10 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 38.19 1fba h ASN 325 CO -0.01 0.95 0.54 -0.33 -1.65 0.00 0.00 177.43 176.94 1fba h GLU 326 N 0.81 1.18 -0.19 0.81 4.39 -0.98 -1.10 114.58 119.50 1fba h GLU 326 Ca 0.16 -0.10 -0.02 0.00 0.34 0.00 0.00 59.36 59.74 1fba h GLU 326 Cb 0.46 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 1fba h GLU 326 CO 0.02 0.81 0.03 1.25 -1.16 0.00 0.00 179.01 179.96 1fba h LEU 327 N 1.20 0.29 -0.55 1.33 5.85 -1.14 -2.28 115.31 120.01 1fba h LEU 327 Ca 0.32 -0.26 0.02 0.00 0.84 0.00 0.00 57.88 58.80 1fba h LEU 327 Cb -0.07 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 40.84 1fba h LEU 327 CO -0.06 0.48 0.34 -0.07 -0.34 0.00 0.00 178.44 178.78 1fba h LEU 328 N 0.10 0.55 -0.37 2.25 3.38 -1.01 -0.52 115.31 119.69 1fba h LEU 328 Ca 0.06 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.04 1fba h LEU 328 Cb 0.31 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1fba h LEU 328 CO 0.00 0.39 0.22 0.11 0.09 0.00 0.00 178.44 179.25 1fba h LYS 329 N 0.67 0.43 0.01 1.13 1.57 -1.12 -1.96 116.57 117.31 1fba h LYS 329 Ca 0.22 -0.03 -0.20 0.00 -1.87 0.00 0.00 60.65 58.77 1fba h LYS 329 Cb 0.01 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 1fba h LYS 329 CO -0.09 0.29 -0.91 0.00 -0.57 0.00 0.00 179.45 178.16 1fba h ARG 330 N 0.44 0.16 -0.49 3.15 2.47 -1.19 -2.28 114.38 116.66 1fba h ARG 330 Ca 0.14 -0.19 -0.04 0.00 -1.26 0.00 0.00 59.98 58.64 1fba h ARG 330 Cb -0.00 0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 28.36 1fba h ARG 330 CO -0.06 0.96 0.17 0.00 0.56 0.00 0.00 179.97 181.60 1fba h ALA 331 N 0.97 0.64 -0.08 0.04 0.00 -1.00 -1.50 119.26 118.33 1fba h ALA 331 Ca -0.04 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1fba h ALA 331 Cb 1.56 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 19.16 1fba h ALA 331 CO 0.14 0.28 0.04 -0.22 0.00 0.00 0.00 179.25 179.49 1fba h LYS 332 N 0.65 0.10 -0.61 0.00 1.63 -1.36 -0.61 116.57 116.38 1fba h LYS 332 Ca 0.16 -0.01 0.03 0.00 -0.85 0.00 0.00 60.65 59.98 1fba h LYS 332 Cb 0.25 -0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 31.82 1fba h LYS 332 CO -0.01 0.12 0.40 0.00 -3.45 0.00 0.00 179.45 176.51 1fba h ALA 333 N 0.98 1.67 0.00 5.00 0.00 -1.30 -0.38 119.26 125.23 1fba h ALA 333 Ca 0.03 -0.03 -0.21 0.00 0.00 0.00 0.00 54.91 54.70 1fba h ALA 333 Cb 0.04 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1fba h ALA 333 CO -0.00 0.26 -1.01 -0.91 0.00 0.00 0.00 179.25 177.59 1fba h ASN 334 N 0.72 0.00 -0.21 0.00 2.35 -1.07 -2.17 115.58 115.20 1fba h ASN 334 Ca 0.24 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.85 1fba h ASN 334 Cb 0.07 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 1fba h ASN 334 CO -0.06 0.98 -0.38 1.23 -1.65 0.00 0.00 177.43 177.54 1fba h GLY 335 N 3.05 0.81 0.82 2.83 0.00 -0.43 -1.26 103.07 108.88 1fba h GLY 335 Ca -0.02 -0.80 -0.04 0.00 0.00 0.00 0.00 47.33 46.46 1fba h GLY 335 CO 0.12 0.73 -0.03 -0.55 0.00 0.00 0.00 176.54 176.81 1fba h ASP 336 N 0.61 0.41 -0.96 0.19 3.32 -1.13 -3.08 116.42 115.78 1fba h ASP 336 Ca 0.05 -0.35 0.05 0.00 0.02 0.00 0.00 57.03 56.81 1fba h ASP 336 Cb 0.92 -0.11 -0.06 0.00 0.22 0.00 0.00 39.33 40.30 1fba h ASP 336 CO 0.08 0.66 0.63 0.00 -1.72 0.00 0.00 179.24 178.89 1fba h ALA 337 N 0.76 1.41 0.00 3.45 0.00 -1.26 0.79 119.26 124.41 1fba h ALA 337 Ca 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1fba h ALA 337 Cb 0.47 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1fba h ALA 337 CO 0.02 0.47 0.00 0.00 0.00 0.00 0.00 179.25 179.74 1fba n ALA 338 N -2.38 1.72 0.26 0.00 0.00 -0.49 -0.96 120.51 118.66 1fba n ALA 338 Ca 0.14 -0.06 0.03 0.00 0.00 0.00 0.00 53.44 53.55 1fba n ALA 338 Cb 0.14 -1.22 0.02 0.00 0.00 0.00 0.00 19.45 18.40 1fba n ALA 338 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1fba n GLN 339 N -1.35 0.15 -1.22 0.00 6.02 -0.40 -4.73 117.38 115.84 1fba n GLN 339 Ca 0.05 -0.82 -0.06 0.00 -0.01 0.00 0.00 57.00 56.16 1fba n GLN 339 Cb 0.12 -1.10 -0.02 0.00 1.02 0.00 0.00 30.24 30.26 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 0.39 0.79 0.77 1.08 0.00 -0.14 -4.93 105.19 103.16 1fba n GLY 340 Ca 0.03 -0.79 0.07 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.76 2.93 -2.77 1.61 5.02 0.13 -4.88 118.16 117.45 1fba n LYS 341 Ca -0.06 -2.38 -0.41 0.00 -2.02 0.00 0.00 58.31 53.45 1fba n LYS 341 Cb 0.21 -1.51 -0.05 0.00 -0.02 0.00 0.00 35.03 33.66 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 -1.71 3.85 -0.40 2.13 5.04 -1.23 -4.81 117.35 120.20 1fba s TYR 342 Ca 0.31 1.78 -0.15 0.00 -2.44 0.00 0.00 57.07 56.58 1fba s TYR 342 Cb 0.21 -3.00 0.02 0.00 0.35 0.00 0.00 41.96 39.54 1fba s TYR 342 CO 0.14 0.28 0.31 0.08 -1.34 0.00 0.00 175.55 175.01 1fba s VAL 343 N -0.31 5.25 0.05 3.14 1.01 -1.26 -4.98 120.40 123.30 1fba s VAL 343 Ca 0.44 -0.59 -0.38 0.00 0.00 0.00 0.00 61.98 61.45 1fba s VAL 343 Cb -0.24 -3.92 -0.17 0.00 0.00 0.00 0.00 36.38 32.05 1fba s VAL 343 CO 0.29 -0.29 1.30 0.00 0.00 0.00 0.00 175.10 176.40 1fba n ALA 345 N 5.19 -1.49 -0.07 5.51 0.00 -1.26 -1.03 120.51 127.37 1fba n ALA 345 Ca -0.11 0.53 0.00 0.00 0.00 0.00 0.00 53.44 53.86 1fba n ALA 345 Cb 0.47 -2.02 0.00 0.00 0.00 0.00 0.00 19.45 17.91 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 2.38 2.58 0.28 0.00 0.00 -1.26 -4.89 105.19 104.28 1fba n GLY 346 Ca 0.19 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.36 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 -0.72 1.61 4.64 -1.52 -0.99 113.55 116.57 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 0.07 0.00 0.00 -0.87 0.00 0.00 176.83 176.03 1fba n ALA 348 N -2.26 2.41 0.00 5.18 0.00 -1.26 -5.06 120.51 119.51 1fba n ALA 348 Ca -0.02 -1.32 0.00 0.00 0.00 0.00 0.00 53.44 52.10 1fba n ALA 348 Cb 0.18 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.71 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 1.60 -0.12 0.12 0.00 0.00 -0.38 -4.71 105.19 101.69 1fba n GLY 349 Ca 0.24 -1.90 -0.11 0.00 0.00 0.00 0.00 46.02 44.25 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 0.22 0.00 4.61 0.00 -1.98 -3.43 119.26 118.69 1fba h ALA 351 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 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 -0.11 0.00 0.41 0.00 0.00 0.00 179.25 179.55 1fba n GLY 352 N -0.43 -1.37 3.79 0.00 0.00 -1.26 -4.41 105.19 101.51 1fba n GLY 352 Ca -0.05 -1.31 -0.31 0.00 0.00 0.00 0.00 46.02 44.36 1fba n GLY 352 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1fba s SER 353 N -4.00 4.79 0.00 1.61 1.04 -1.26 -4.99 113.70 110.89 1fba s SER 353 Ca 0.00 1.64 0.00 0.00 0.48 0.00 0.00 55.95 58.07 1fba s SER 353 Cb 0.00 -2.42 0.00 0.00 0.10 0.00 0.00 66.02 63.70 1fba s SER 353 CO 0.00 -1.83 0.00 0.61 0.98 0.00 0.00 173.24 173.00 1fba n GLY 354 N -1.65 -1.37 3.74 7.32 0.00 -1.26 -4.42 105.19 107.56 1fba n GLY 354 Ca 0.08 -1.45 -0.41 0.00 0.00 0.00 0.00 46.02 44.24 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 -1.33 7.45 -0.27 1.61 0.15 -1.26 -4.38 113.70 115.67 1fba s SER 355 Ca 0.00 1.99 0.12 0.00 0.70 0.00 0.00 55.95 58.76 1fba s SER 355 Cb 0.00 -2.60 0.57 0.00 -1.71 0.00 0.00 66.02 62.28 1fba s SER 355 CO 0.00 -0.05 1.55 0.18 1.20 0.00 0.00 173.24 176.11 1fba n LEU 356 N 2.05 4.59 -4.70 3.45 4.77 -1.23 -4.99 117.00 120.95 1fba n LEU 356 Ca 0.01 -3.38 -0.42 0.00 -0.03 0.00 0.00 56.01 52.18 1fba n LEU 356 Cb 0.47 -0.64 -0.03 0.00 -2.33 0.00 0.00 43.42 40.89 1fba n LEU 356 CO 0.52 0.95 0.95 0.12 -1.33 0.00 0.00 177.39 178.59 1fba s PHE 357 N -3.05 3.24 -0.13 -1.77 5.36 -1.20 -4.74 117.98 115.69 1fba s PHE 357 Ca 0.47 1.19 0.01 0.00 -0.96 0.00 0.00 56.93 57.64 1fba s PHE 357 Cb 0.39 -3.46 0.02 0.00 -0.34 0.00 0.00 43.02 39.64 1fba s PHE 357 CO 0.06 -1.46 -0.16 0.08 -1.46 0.00 0.00 175.22 172.29 1fba s VAL 358 N 1.77 1.61 0.50 3.12 1.01 -1.26 -5.07 120.40 122.07 1fba s VAL 358 Ca 0.58 -0.69 -0.19 0.00 0.00 0.00 0.00 61.98 61.69 1fba s VAL 358 Cb -0.28 -1.47 -0.08 0.00 0.00 0.00 0.00 36.38 34.55 1fba s VAL 358 CO 0.26 0.46 1.01 0.00 0.00 0.00 0.00 175.10 176.83 1fba s ALA 359 N 1.16 2.93 0.00 5.51 0.00 -1.26 -4.84 121.76 125.25 1fba s ALA 359 Ca -0.02 0.44 0.00 0.00 0.00 0.00 0.00 51.96 52.38 1fba s ALA 359 Cb -0.14 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.78 1fba s ALA 359 CO -0.05 -0.28 0.00 0.09 0.00 0.00 0.00 175.76 175.52 1fba n ASN 360 N -1.19 0.00 -0.03 0.00 3.02 -1.26 -5.13 115.26 110.67 1fba n ASN 360 Ca 0.08 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.63 1fba n ASN 360 Cb 0.53 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.70 1fba n ASN 360 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1fba n HIS 361 N 0.00 -0.07 -2.42 3.10 8.25 -1.26 -4.98 115.22 117.84 1fba n HIS 361 Ca 0.00 0.04 -0.04 0.00 -0.26 0.00 0.00 57.72 57.46 1fba n HIS 361 Cb 0.00 -0.81 -0.03 0.00 1.12 0.00 0.00 29.99 30.26 1fba n HIS 361 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1fba n ALA 362 N -1.24 -3.56 0.00 -1.41 0.00 -1.26 -5.09 120.51 107.95 1fba n ALA 362 Ca 0.00 1.65 0.00 0.00 0.00 0.00 0.00 53.44 55.09 1fba n ALA 362 Cb 0.00 -3.23 0.00 0.00 0.00 0.00 0.00 19.45 16.22 1fba n ALA 362 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16