#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2flf n ARG 2 N 0.00 0.06 0.09 0.03 5.12 -1.26 -2.35 116.66 118.35 2flf n ARG 2 Ca 0.00 -0.33 0.00 0.00 -1.93 0.00 0.00 57.85 55.59 2flf n ARG 2 Cb 0.00 -1.81 0.00 0.00 -1.16 0.00 0.00 32.46 29.49 2flf n ARG 2 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2flf n ALA 3 N 4.17 2.47 0.06 7.54 0.00 -1.26 -4.79 120.51 128.70 2flf n ALA 3 Ca 0.01 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.46 2flf n ALA 3 Cb 0.01 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.41 2flf n ALA 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2flf h ARG 4 N 0.00 0.00 0.06 0.00 3.08 -1.91 -3.19 114.38 112.43 2flf h ARG 4 Ca 0.00 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 59.76 2flf h ARG 4 Cb 0.00 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.08 2flf h ARG 4 CO 0.00 0.34 -1.16 -0.07 -1.07 0.00 0.00 179.97 178.02 2flf h LEU 5 N 0.00 0.90 0.36 3.04 3.38 -1.88 -2.84 115.31 118.28 2flf h LEU 5 Ca -0.11 -0.78 -0.02 0.00 0.09 0.00 0.00 57.88 57.06 2flf h LEU 5 Cb 1.51 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.98 2flf h LEU 5 CO 0.05 1.58 -0.17 0.22 0.09 0.00 0.00 178.44 180.21 2flf h TYR 6 N 0.34 -0.45 -0.89 1.13 3.20 -1.81 -1.96 116.97 116.52 2flf h TYR 6 Ca -0.16 -0.01 0.24 0.00 3.14 0.00 0.00 58.73 61.94 2flf h TYR 6 Cb 1.82 0.15 -0.14 0.00 1.54 0.00 0.00 36.73 40.10 2flf h TYR 6 CO 0.11 -0.16 0.29 0.00 -1.64 0.00 0.00 178.16 176.76 2flf h ALA 7 N -0.18 1.37 -0.65 1.82 0.00 -1.65 0.18 119.26 120.16 2flf h ALA 7 Ca -0.05 0.22 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 2flf h ALA 7 Cb 0.50 0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 2flf h ALA 7 CO 0.08 -0.47 0.09 0.00 0.00 0.00 0.00 179.25 178.95 2flf h ALA 8 N 1.78 0.94 -0.27 0.00 0.00 -1.26 0.16 119.26 120.62 2flf h ALA 8 Ca 0.57 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 55.14 2flf h ALA 8 Cb 1.18 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 2flf h ALA 8 CO -0.64 0.66 -0.11 0.74 0.00 0.00 0.00 179.25 179.90 2flf h PHE 9 N 1.00 0.62 0.15 0.00 -1.00 0.03 -1.52 116.94 116.22 2flf h PHE 9 Ca 0.20 -0.15 -0.01 0.00 2.81 0.00 0.00 57.97 60.82 2flf h PHE 9 Cb 0.45 -0.15 0.00 0.00 3.61 0.00 0.00 35.95 39.86 2flf h PHE 9 CO 0.03 0.78 -0.07 -0.09 -1.61 0.00 0.00 178.31 177.35 2flf h ARG 10 N 0.28 -0.19 0.32 1.51 2.43 -0.77 -1.44 114.38 116.53 2flf h ARG 10 Ca 0.06 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 2flf h ARG 10 Cb 0.61 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.17 2flf h ARG 10 CO 0.04 -0.11 -0.47 0.37 -1.51 0.00 0.00 179.97 178.29 2flf h GLN 11 N -0.23 -0.81 -0.84 0.20 4.15 -0.66 0.12 115.11 117.05 2flf h GLN 11 Ca -0.02 0.06 0.24 0.00 0.77 0.00 0.00 58.65 59.70 2flf h GLN 11 Cb 0.17 0.19 -0.03 0.00 0.21 0.00 0.00 27.48 28.02 2flf h GLN 11 CO 0.03 -0.54 0.61 0.28 -1.93 0.00 0.00 178.83 177.28 2flf h VAL 12 N -0.85 0.56 0.41 2.39 2.07 -1.23 0.63 116.25 120.24 2flf h VAL 12 Ca -0.03 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.47 2flf h VAL 12 Cb 0.78 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 2flf h VAL 12 CO -0.15 0.00 -0.20 1.23 0.02 0.00 0.00 177.57 178.48 2flf h GLY 13 N 0.00 -0.57 0.55 2.17 0.00 0.08 -1.50 103.07 103.80 2flf h GLY 13 Ca 0.40 0.21 0.04 0.00 0.00 0.00 0.00 47.33 47.98 2flf h GLY 13 CO -0.00 -0.21 -0.07 0.83 0.00 0.00 0.00 176.54 177.09 2flf h GLU 14 N -1.09 -0.03 -0.17 4.80 5.08 0.08 -2.17 114.58 121.07 2flf h GLU 14 Ca -0.06 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2flf h GLU 14 Cb 0.49 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 2flf h GLU 14 CO 0.09 -0.02 0.11 -0.44 -1.00 0.00 0.00 179.01 177.75 2flf h ASP 15 N -0.04 0.20 -0.99 1.42 3.45 -1.02 -1.19 116.42 118.27 2flf h ASP 15 Ca 0.10 -0.03 0.16 0.00 0.43 0.00 0.00 57.03 57.69 2flf h ASP 15 Cb 0.19 -0.05 -0.10 0.00 -0.56 0.00 0.00 39.33 38.81 2flf h ASP 15 CO -0.23 0.18 0.60 0.25 -1.57 0.00 0.00 179.24 178.47 2flf h LEU 16 N 0.21 0.81 -0.11 1.55 5.85 -1.08 0.56 115.31 123.10 2flf h LEU 16 Ca 0.06 0.08 -0.20 0.00 0.84 0.00 0.00 57.88 58.66 2flf h LEU 16 Cb 0.01 -0.07 0.01 0.00 0.37 0.00 0.00 40.66 40.97 2flf h LEU 16 CO -0.01 0.35 -0.69 0.15 -0.34 0.00 0.00 178.44 177.90 2flf h PHE 17 N 0.84 0.91 -0.15 1.25 3.57 -1.05 -0.09 116.94 122.22 2flf h PHE 17 Ca 0.54 -0.42 -0.10 0.00 3.53 0.00 0.00 57.97 61.52 2flf h PHE 17 Cb 0.71 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.32 2flf h PHE 17 CO -0.01 1.23 -0.28 0.00 -2.23 0.00 0.00 178.31 177.02 2flf h ALA 18 N 0.49 0.23 0.00 2.41 0.00 -0.53 -2.50 119.26 119.36 2flf h ALA 18 Ca -0.05 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2flf h ALA 18 Cb 1.33 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2flf h ALA 18 CO 0.14 0.24 0.00 0.94 0.00 0.00 0.00 179.25 180.57 2flf n GLN 19 N -4.41 0.04 -1.43 0.00 -0.06 0.19 -4.79 117.38 106.92 2flf n GLN 19 Ca -0.07 0.28 -0.10 0.00 -2.00 0.00 0.00 57.00 55.12 2flf n GLN 19 Cb 0.46 -1.50 -0.04 0.00 -4.06 0.00 0.00 30.24 25.10 2flf n GLN 19 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2flf n GLY 20 N -1.00 0.94 0.03 1.69 0.00 -0.94 -4.90 105.19 101.01 2flf n GLY 20 Ca 0.02 -0.57 0.13 0.00 0.00 0.00 0.00 46.02 45.60 2flf n GLY 20 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2flf n LEU 21 N -1.15 0.29 -4.05 0.99 4.77 -0.06 -4.63 117.00 113.16 2flf n LEU 21 Ca -0.10 0.20 -0.14 0.00 -0.03 0.00 0.00 56.01 55.94 2flf n LEU 21 Cb 0.36 -0.33 -0.03 0.00 -2.33 0.00 0.00 43.42 41.09 2flf n LEU 21 CO 0.15 0.06 0.20 0.27 -1.33 0.00 0.00 177.39 176.74 2flf s ILE 22 N -2.84 0.00 0.59 -0.08 -4.36 -1.17 -0.50 121.20 112.84 2flf s ILE 22 Ca 0.18 -1.51 0.08 0.00 -0.26 0.00 0.00 60.65 59.13 2flf s ILE 22 Cb 0.19 -2.68 0.10 0.00 1.25 0.00 0.00 42.46 41.32 2flf s ILE 22 CO 0.56 0.00 0.81 -1.20 0.24 0.00 0.00 174.94 175.36 2flf n SER 23 N -1.43 1.90 -0.32 4.36 7.64 -1.26 -4.82 113.62 119.68 2flf n SER 23 Ca -0.00 -2.41 0.11 0.00 1.01 0.00 0.00 58.87 57.58 2flf n SER 23 Cb 0.61 -0.45 0.29 0.00 -1.01 0.00 0.00 64.21 63.65 2flf n SER 23 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2flf h ALA 24 N -0.02 1.50 0.00 -0.43 0.00 -1.97 -3.22 119.26 115.13 2flf h ALA 24 Ca -0.27 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2flf h ALA 24 Cb 1.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2flf h ALA 24 CO 0.37 -0.13 -0.26 0.25 0.00 0.00 0.00 179.25 179.48 2flf n THR 25 N -4.86 0.00 -0.48 0.00 -2.24 -1.26 -1.61 114.28 103.83 2flf n THR 25 Ca 0.21 -0.35 -0.29 0.00 -2.27 0.00 0.00 64.05 61.35 2flf n THR 25 Cb 0.55 0.86 0.26 0.00 -2.10 0.00 0.00 70.33 69.90 2flf n THR 25 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2flf n ALA 26 N -1.09 -3.18 -0.75 6.98 0.00 -1.22 -4.72 120.51 116.53 2flf n ALA 26 Ca 0.00 -1.24 0.10 0.00 0.00 0.00 0.00 53.44 52.30 2flf n ALA 26 Cb 0.00 -1.94 -0.03 0.00 0.00 0.00 0.00 19.45 17.48 2flf n ALA 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2flf n GLY 27 N 1.16 -1.87 3.56 0.00 0.00 -1.26 -4.62 105.19 102.15 2flf n GLY 27 Ca 0.02 -1.32 -0.08 0.00 0.00 0.00 0.00 46.02 44.64 2flf n GLY 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2flf s ASN 28 N -5.25 -0.29 -0.14 1.61 2.20 -1.06 -5.01 114.94 107.00 2flf s ASN 28 Ca 0.00 0.12 -0.10 0.00 -0.94 0.00 0.00 52.86 51.94 2flf s ASN 28 Cb 0.00 0.28 0.04 0.00 -2.00 0.00 0.00 41.25 39.57 2flf s ASN 28 CO 0.00 -0.41 0.35 0.72 -2.94 0.00 0.00 177.10 174.82 2flf s PHE 29 N -2.24 -0.44 0.26 1.54 -0.12 -1.26 -0.73 117.98 114.99 2flf s PHE 29 Ca 0.04 1.01 0.04 0.00 -0.05 0.00 0.00 56.93 57.97 2flf s PHE 29 Cb -0.01 0.16 -0.06 0.00 -0.63 0.00 0.00 43.02 42.48 2flf s PHE 29 CO -0.05 -0.24 0.02 -1.54 -0.05 0.00 0.00 175.22 173.37 2flf s SER 30 N 0.71 1.97 0.08 1.98 1.04 0.44 -3.23 113.70 116.69 2flf s SER 30 Ca -0.04 -1.28 0.04 0.00 0.48 0.00 0.00 55.95 55.14 2flf s SER 30 Cb -0.05 -0.01 -0.03 0.00 0.10 0.00 0.00 66.02 66.02 2flf s SER 30 CO -0.05 -0.55 -0.10 0.68 0.98 0.00 0.00 173.24 174.19 2flf s VAL 31 N -3.40 0.88 0.32 5.02 -7.23 -0.57 0.88 120.40 116.31 2flf s VAL 31 Ca 0.32 -1.43 -0.27 0.00 -1.81 0.00 0.00 61.98 58.79 2flf s VAL 31 Cb 0.07 -1.12 -0.09 0.00 0.56 0.00 0.00 36.38 35.79 2flf s VAL 31 CO 0.11 -0.44 0.99 -0.60 -0.31 0.00 0.00 175.10 174.85 2flf s ARG 32 N -2.27 4.53 0.34 4.82 3.52 0.50 -1.10 118.95 129.29 2flf s ARG 32 Ca 0.00 1.46 0.07 0.00 -0.13 0.00 0.00 55.73 57.13 2flf s ARG 32 Cb -0.06 -2.86 -0.03 0.00 -1.56 0.00 0.00 34.95 30.44 2flf s ARG 32 CO 0.01 0.20 0.27 0.95 -0.81 0.00 0.00 175.30 175.92 2flf s THR 33 N -1.51 0.05 0.11 4.11 -4.23 -0.33 -4.82 115.64 109.03 2flf s THR 33 Ca 0.50 -2.00 -0.20 0.00 -1.18 0.00 0.00 61.69 58.81 2flf s THR 33 Cb -0.22 -2.48 -0.08 0.00 1.34 0.00 0.00 72.50 71.06 2flf s THR 33 CO 0.28 0.00 1.75 0.11 -0.54 0.00 0.00 174.62 176.23 2flf h LYS 34 N 2.09 0.25 0.00 3.99 1.57 -2.00 -2.75 116.57 119.72 2flf h LYS 34 Ca -0.26 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 2flf h LYS 34 Cb 1.24 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.49 2flf h LYS 34 CO 0.38 0.19 0.00 0.41 -0.57 0.00 0.00 179.45 179.85 2flf n GLY 35 N -1.08 -1.62 0.00 3.86 0.00 -1.26 -4.97 105.19 100.12 2flf n GLY 35 Ca -0.04 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2flf n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2flf n GLY 36 N 1.05 -0.20 3.63 -0.02 0.00 -1.04 -2.76 105.19 105.85 2flf n GLY 36 Ca 0.05 0.11 -0.12 0.00 0.00 0.00 0.00 46.02 46.07 2flf n GLY 36 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2flf s PHE 37 N 0.00 -0.74 -0.02 1.61 -0.12 -1.24 -1.18 117.98 116.28 2flf s PHE 37 Ca 0.00 1.75 -0.15 0.00 -0.05 0.00 0.00 56.93 58.48 2flf s PHE 37 Cb 0.00 0.34 -0.05 0.00 -0.63 0.00 0.00 43.02 42.68 2flf s PHE 37 CO 0.00 -0.36 0.41 -1.17 -0.05 0.00 0.00 175.22 174.05 2flf s LEU 38 N 0.55 4.44 0.11 -1.99 2.96 -0.26 -2.03 118.68 122.46 2flf s LEU 38 Ca -0.01 0.93 -0.03 0.00 -0.22 0.00 0.00 54.13 54.80 2flf s LEU 38 Cb -0.05 -2.59 -0.03 0.00 0.50 0.00 0.00 46.19 44.02 2flf s LEU 38 CO -0.04 0.27 0.08 -0.51 -1.32 0.00 0.00 176.35 174.83 2flf s ILE 39 N -0.78 0.13 0.55 6.68 2.07 -1.02 -1.51 121.20 127.31 2flf s ILE 39 Ca 0.24 -1.75 -0.19 0.00 -1.41 0.00 0.00 60.65 57.54 2flf s ILE 39 Cb -0.16 -1.84 -0.05 0.00 0.13 0.00 0.00 42.46 40.53 2flf s ILE 39 CO 0.13 -0.57 1.10 0.42 -1.91 0.00 0.00 174.94 174.10 2flf s THR 40 N -3.99 3.35 0.44 4.00 -4.23 -1.20 -1.53 115.64 112.49 2flf s THR 40 Ca 0.18 0.79 -0.21 0.00 -1.18 0.00 0.00 61.69 61.26 2flf s THR 40 Cb 0.07 -3.30 -0.09 0.00 1.34 0.00 0.00 72.50 70.51 2flf s THR 40 CO -0.02 -0.23 1.01 -0.54 -0.54 0.00 0.00 174.62 174.29 2flf s LYS 41 N -3.46 4.04 0.42 3.99 1.02 0.81 -3.28 119.74 123.29 2flf s LYS 41 Ca 0.70 1.31 -0.22 0.00 0.02 0.00 0.00 55.97 57.78 2flf s LYS 41 Cb -0.21 -2.24 -0.10 0.00 -0.52 0.00 0.00 37.83 34.76 2flf s LYS 41 CO 0.29 -0.21 0.98 0.45 -0.92 0.00 0.00 175.35 175.93 2flf s SER 42 N -1.95 6.86 -0.22 2.83 0.15 0.18 -4.51 113.70 117.04 2flf s SER 42 Ca 0.63 1.80 -0.04 0.00 0.70 0.00 0.00 55.95 59.04 2flf s SER 42 Cb -0.15 -2.56 0.01 0.00 -1.71 0.00 0.00 66.02 61.62 2flf s SER 42 CO 0.19 -0.41 0.07 0.61 1.20 0.00 0.00 173.24 174.90 2flf n GLY 43 N -0.26 -4.37 0.00 9.45 0.00 -1.26 -4.96 105.19 103.79 2flf n GLY 43 Ca 0.06 0.72 0.00 0.00 0.00 0.00 0.00 46.02 46.81 2flf n GLY 43 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2flf n VAL 44 N 0.87 0.00 -1.68 1.61 3.14 -1.26 -5.10 118.33 115.90 2flf n VAL 44 Ca -0.12 0.00 -0.42 0.00 -2.96 0.00 0.00 64.34 60.84 2flf n VAL 44 Cb 0.19 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 32.94 2flf n VAL 44 CO 0.00 0.00 0.00 -1.10 -6.46 0.00 0.00 176.83 169.27 2flf s GLN 45 N -1.17 2.98 0.53 1.45 -1.52 -1.26 -4.46 119.66 116.20 2flf s GLN 45 Ca 0.00 1.77 0.20 0.00 -1.95 0.00 0.00 55.36 55.38 2flf s GLN 45 Cb 0.00 -4.38 1.34 0.00 -0.22 0.00 0.00 33.01 29.75 2flf s GLN 45 CO 0.00 -2.28 2.09 0.87 -0.25 0.00 0.00 175.29 175.72 2flf h LYS 46 N 15.43 0.00 0.00 2.91 6.56 -1.61 -1.74 116.57 138.11 2flf h LYS 46 Ca -0.36 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.23 2flf h LYS 46 Cb 1.23 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.89 2flf h LYS 46 CO 1.01 0.00 -0.09 0.00 -2.06 0.00 0.00 179.45 178.31 2flf n ALA 47 N -2.57 2.42 -2.59 3.86 0.00 -1.26 -3.83 120.51 116.55 2flf n ALA 47 Ca 0.02 -0.08 -0.24 0.00 0.00 0.00 0.00 53.44 53.14 2flf n ALA 47 Cb 0.31 -1.42 -0.00 0.00 0.00 0.00 0.00 19.45 18.33 2flf n ALA 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2flf n ARG 48 N -2.01 2.96 -2.23 0.00 1.74 -0.66 -4.41 116.66 112.06 2flf n ARG 48 Ca 0.06 -4.32 -0.39 0.00 -0.77 0.00 0.00 57.85 52.43 2flf n ARG 48 Cb 0.40 -2.07 -0.02 0.00 -1.02 0.00 0.00 32.46 29.75 2flf n ARG 48 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2flf s LEU 49 N -3.43 4.31 0.21 0.55 2.96 -1.21 -4.83 118.68 117.23 2flf s LEU 49 Ca 0.44 2.49 0.02 0.00 -0.22 0.00 0.00 54.13 56.86 2flf s LEU 49 Cb 0.39 -3.84 -0.05 0.00 0.50 0.00 0.00 46.19 43.19 2flf s LEU 49 CO -0.14 -0.60 0.01 0.42 -1.32 0.00 0.00 176.35 174.72 2flf s THR 50 N -1.28 0.81 0.38 3.68 -4.23 -1.26 -4.87 115.64 108.86 2flf s THR 50 Ca 0.53 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 59.13 2flf s THR 50 Cb -0.35 -2.27 0.32 0.00 1.34 0.00 0.00 72.50 71.55 2flf s THR 50 CO 0.45 -0.36 1.91 -0.65 -0.54 0.00 0.00 174.62 175.43 2flf h PRO 51 N 2.57 0.62 0.00 3.99 0.11 -1.97 0.89 132.00 138.22 2flf h PRO 51 Ca -0.37 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.67 2flf h PRO 51 Cb 1.22 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 2flf h PRO 51 CO 0.63 0.41 -0.13 0.93 -0.21 0.00 0.00 178.00 179.64 2flf h GLU 52 N 0.64 0.00 0.00 1.05 3.07 -2.03 -3.04 114.58 114.28 2flf h GLU 52 Ca 0.38 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.24 2flf h GLU 52 Cb 0.59 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.50 2flf h GLU 52 CO -0.15 0.13 0.00 -0.25 -1.40 0.00 0.00 179.01 177.34 2flf n ASP 53 N -3.41 0.00 -4.26 1.42 10.43 0.31 -4.81 116.55 116.23 2flf n ASP 53 Ca -0.01 -1.48 -0.20 0.00 2.57 0.00 0.00 54.79 55.67 2flf n ASP 53 Cb 0.31 0.00 -0.10 0.00 1.84 0.00 0.00 41.12 43.17 2flf n ASP 53 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 2flf s LEU 54 N -1.23 1.87 -0.30 0.64 1.43 -1.15 0.28 118.68 120.23 2flf s LEU 54 Ca 0.09 -1.47 -0.29 0.00 -1.03 0.00 0.00 54.13 51.43 2flf s LEU 54 Cb 0.04 -0.09 0.20 0.00 0.03 0.00 0.00 46.19 46.37 2flf s LEU 54 CO 0.07 -0.76 1.40 -1.48 0.23 0.00 0.00 176.35 175.81 2flf s LEU 55 N -3.43 -0.00 0.52 1.79 0.05 -0.58 -4.88 118.68 112.15 2flf s LEU 55 Ca 0.34 0.00 -0.19 0.00 0.05 0.00 0.00 54.13 54.34 2flf s LEU 55 Cb 0.07 1.01 -0.07 0.00 -2.05 0.00 0.00 46.19 45.14 2flf s LEU 55 CO 0.15 -0.00 1.04 -1.61 -0.55 0.00 0.00 176.35 175.38 2flf s GLU 56 N -1.01 3.66 -0.33 1.48 2.02 -1.26 -2.44 118.70 120.81 2flf s GLU 56 Ca 0.10 1.30 -0.01 0.00 0.02 0.00 0.00 54.97 56.38 2flf s GLU 56 Cb -0.01 -2.08 0.12 0.00 0.10 0.00 0.00 34.13 32.27 2flf s GLU 56 CO -0.09 -0.54 0.18 0.08 0.02 0.00 0.00 175.26 174.91 2flf s VAL 57 N -2.14 0.15 0.61 2.63 1.01 -0.86 -4.74 120.40 117.06 2flf s VAL 57 Ca 0.66 -1.39 -0.18 0.00 0.00 0.00 0.00 61.98 61.08 2flf s VAL 57 Cb -0.16 -1.13 -0.07 0.00 0.00 0.00 0.00 36.38 35.02 2flf s VAL 57 CO 0.25 -0.88 0.52 -0.81 0.00 0.00 0.00 175.10 174.18 2flf n PRO 58 N 4.49 0.46 0.01 2.72 -0.04 -1.25 -3.69 135.00 137.69 2flf n PRO 58 Ca 0.05 0.19 0.10 0.00 -0.04 0.00 0.00 63.50 63.80 2flf n PRO 58 Cb 0.39 -1.73 0.45 0.00 -0.04 0.00 0.00 33.50 32.57 2flf n PRO 58 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2flf n LEU 59 N 0.31 0.03 0.00 1.53 4.32 -1.11 -4.27 117.00 117.81 2flf n LEU 59 Ca 0.11 0.51 0.00 0.00 -0.02 0.00 0.00 56.01 56.61 2flf n LEU 59 Cb 0.48 -0.50 0.00 0.00 -1.62 0.00 0.00 43.42 41.78 2flf n LEU 59 CO 0.51 -0.15 0.00 -0.62 -1.22 0.00 0.00 177.39 175.91 2flf n GLU 60 N -1.54 0.00 0.00 3.23 1.02 -1.26 -4.99 120.64 117.10 2flf n GLU 60 Ca 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 2flf n GLU 60 Cb 0.25 -0.25 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 2flf n GLU 60 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2flf n GLY 61 N 0.00 0.07 3.56 0.62 0.00 -1.26 -5.06 105.19 103.12 2flf n GLY 61 Ca 0.00 -0.04 -0.27 0.00 0.00 0.00 0.00 46.02 45.72 2flf n GLY 61 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2flf s PRO 62 N -1.00 2.53 -0.74 1.61 0.02 -1.26 -4.92 135.00 131.24 2flf s PRO 62 Ca 0.00 -0.35 -0.21 0.00 0.02 0.00 0.00 61.00 60.46 2flf s PRO 62 Cb 0.00 -5.07 0.09 0.00 0.02 0.00 0.00 34.50 29.54 2flf s PRO 62 CO 0.00 -3.45 1.01 0.42 -0.33 0.00 0.00 177.00 174.66 2flf s ILE 63 N 10.25 4.44 0.70 2.83 1.01 -1.26 -4.41 121.20 134.76 2flf s ILE 63 Ca 0.70 -0.74 -0.16 0.00 0.00 0.00 0.00 60.65 60.45 2flf s ILE 63 Cb -0.06 -4.72 -0.03 0.00 0.01 0.00 0.00 42.46 37.66 2flf s ILE 63 CO 0.01 -1.47 0.71 -0.81 0.00 0.00 0.00 174.94 173.37 2flf n PRO 64 N 7.37 0.44 -3.07 2.79 -0.04 -1.26 -4.92 135.00 136.30 2flf n PRO 64 Ca 0.05 0.19 -0.37 0.00 -0.04 0.00 0.00 63.50 63.33 2flf n PRO 64 Cb 0.46 -1.97 -0.06 0.00 -0.04 0.00 0.00 33.50 31.89 2flf n PRO 64 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 2flf s GLU 65 N -2.88 4.31 0.00 0.54 -1.05 -1.26 -3.51 118.70 114.85 2flf s GLU 65 Ca 0.69 0.93 0.00 0.00 -0.15 0.00 0.00 54.97 56.45 2flf s GLU 65 Cb -0.36 -2.94 0.00 0.00 -0.44 0.00 0.00 34.13 30.39 2flf s GLU 65 CO 0.54 0.42 0.00 0.41 0.95 0.00 0.00 175.26 177.58 2flf n GLY 66 N 0.87 0.61 3.73 -3.83 0.00 -1.26 -5.08 105.19 100.23 2flf n GLY 66 Ca -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 2flf n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2flf s ALA 67 N -1.04 2.23 0.74 4.61 0.00 -1.23 0.48 121.76 127.55 2flf s ALA 67 Ca 0.00 0.92 -0.16 0.00 0.00 0.00 0.00 51.96 52.72 2flf s ALA 67 Cb 0.00 -3.47 -0.03 0.00 0.00 0.00 0.00 23.12 19.62 2flf s ALA 67 CO 0.00 -1.71 0.53 0.45 0.00 0.00 0.00 175.76 175.03 2flf n SER 68 N -2.44 -1.23 0.13 0.00 2.88 -1.20 -4.29 113.62 107.47 2flf n SER 68 Ca 0.14 0.57 0.13 0.00 -1.33 0.00 0.00 58.87 58.37 2flf n SER 68 Cb 0.50 -1.22 0.47 0.00 -0.75 0.00 0.00 64.21 63.21 2flf n SER 68 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 2flf h VAL 69 N -0.48 0.00 -0.43 2.46 2.07 -1.94 -2.66 116.25 115.27 2flf h VAL 69 Ca -0.45 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 66.74 2flf h VAL 69 Cb 1.34 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 32.26 2flf h VAL 69 CO 0.42 0.00 0.00 -0.62 0.02 0.00 0.00 177.57 177.39 2flf n GLU 70 N -2.31 2.48 -0.28 1.57 1.02 -1.26 -4.36 120.64 117.51 2flf n GLU 70 Ca 0.03 -2.29 0.24 0.00 -0.02 0.00 0.00 57.16 55.12 2flf n GLU 70 Cb 0.29 -1.49 0.57 0.00 -0.02 0.00 0.00 31.44 30.80 2flf n GLU 70 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 2flf h SER 71 N 4.13 0.31 -0.22 1.62 0.02 -1.82 1.62 113.55 119.22 2flf h SER 71 Ca 0.00 0.05 0.06 0.00 -0.84 0.00 0.00 61.79 61.06 2flf h SER 71 Cb 0.94 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.47 2flf h SER 71 CO 0.00 0.09 0.16 0.58 -1.14 0.00 0.00 176.83 176.52 2flf h VAL 72 N 0.29 0.86 0.02 2.27 2.07 -1.83 0.24 116.25 120.17 2flf h VAL 72 Ca 0.52 0.00 -0.26 0.00 0.82 0.00 0.00 66.70 67.79 2flf h VAL 72 Cb 1.52 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 32.14 2flf h VAL 72 CO -0.18 0.00 -1.36 0.58 0.02 0.00 0.00 177.57 176.63 2flf h VAL 73 N 0.00 1.29 0.16 2.57 2.07 0.20 -3.22 116.25 119.31 2flf h VAL 73 Ca 0.10 -3.04 -0.01 0.00 0.82 0.00 0.00 66.70 64.57 2flf h VAL 73 Cb 0.42 2.66 0.00 0.00 -1.52 0.00 0.00 31.29 32.86 2flf h VAL 73 CO -0.00 0.76 -0.07 0.45 0.02 0.00 0.00 177.57 178.72 2flf h HIS 74 N 0.01 -0.19 -0.38 1.57 3.86 -0.33 -3.16 115.15 116.53 2flf h HIS 74 Ca -0.15 -0.00 0.04 0.00 -1.16 0.00 0.00 60.37 59.10 2flf h HIS 74 Cb 1.90 0.06 -0.07 0.00 1.06 0.00 0.00 27.41 30.36 2flf h HIS 74 CO 0.01 0.24 -0.50 -0.09 0.86 0.00 0.00 177.93 178.45 2flf h ARG 75 N -0.76 -0.34 0.00 2.45 2.43 -0.76 0.11 114.38 117.51 2flf h ARG 75 Ca -0.02 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2flf h ARG 75 Cb 0.52 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 2flf h ARG 75 CO 0.04 -0.22 0.12 1.49 -1.51 0.00 0.00 179.97 179.88 2flf h GLU 76 N -0.35 0.00 0.00 0.20 4.57 -1.67 0.91 114.58 118.24 2flf h GLU 76 Ca 0.07 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.19 2flf h GLU 76 Cb 0.53 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.11 2flf h GLU 76 CO -0.54 0.00 -1.25 0.28 -1.18 0.00 0.00 179.01 176.31 2flf n VAL 77 N -2.41 0.76 0.91 0.32 0.31 0.25 -3.21 118.33 115.25 2flf n VAL 77 Ca -0.02 -0.60 0.12 0.00 -0.01 0.00 0.00 64.34 63.84 2flf n VAL 77 Cb 0.16 -0.44 0.26 0.00 -0.91 0.00 0.00 33.84 32.91 2flf n VAL 77 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 2flf n TYR 78 N -2.71 0.12 -0.09 3.52 4.02 0.29 -3.41 117.16 118.89 2flf n TYR 78 Ca -0.04 0.03 -0.16 0.00 -0.01 0.00 0.00 57.90 57.72 2flf n TYR 78 Cb 0.66 -0.35 -0.08 0.00 -0.02 0.00 0.00 39.34 39.54 2flf n TYR 78 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 2flf n ARG 79 N -1.63 0.53 -0.69 -0.72 1.74 0.03 -4.51 116.66 111.41 2flf n ARG 79 Ca 0.05 0.55 0.07 0.00 -0.77 0.00 0.00 57.85 57.76 2flf n ARG 79 Cb 0.36 -1.72 0.34 0.00 -1.02 0.00 0.00 32.46 30.42 2flf n ARG 79 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2flf n ARG 80 N -4.49 4.01 -3.70 5.56 1.74 -1.20 -4.94 116.66 113.64 2flf n ARG 80 Ca -0.24 -2.68 -0.10 0.00 -0.77 0.00 0.00 57.85 54.06 2flf n ARG 80 Cb 0.55 -2.03 -0.06 0.00 -1.02 0.00 0.00 32.46 29.90 2flf n ARG 80 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2flf s THR 81 N -2.23 0.09 -1.03 0.55 2.01 -1.22 -4.94 115.64 108.86 2flf s THR 81 Ca 0.47 -0.73 0.01 0.00 0.31 0.00 0.00 61.69 61.75 2flf s THR 81 Cb 0.34 -1.18 0.07 0.00 0.01 0.00 0.00 72.50 71.73 2flf s THR 81 CO 0.18 -0.40 0.64 0.61 -0.69 0.00 0.00 174.62 174.95 2flf n GLY 82 N -0.09 1.41 3.52 4.40 0.00 -1.26 -4.67 105.19 108.51 2flf n GLY 82 Ca -0.16 -0.07 -0.34 0.00 0.00 0.00 0.00 46.02 45.45 2flf n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2flf n ALA 83 N 0.02 -1.50 0.00 4.61 0.00 -1.26 -4.96 120.51 117.41 2flf n ALA 83 Ca 0.02 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.02 2flf n ALA 83 Cb 0.30 -1.97 0.00 0.00 0.00 0.00 0.00 19.45 17.79 2flf n ALA 83 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2flf n ARG 84 N -2.13 4.24 -3.84 0.00 5.12 -0.95 -4.86 116.66 114.24 2flf n ARG 84 Ca 0.10 0.00 -0.11 0.00 -1.93 0.00 0.00 57.85 55.91 2flf n ARG 84 Cb 0.52 -0.53 -0.09 0.00 -1.16 0.00 0.00 32.46 31.20 2flf n ARG 84 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2flf s ALA 85 N -0.36 -0.43 -0.14 7.54 0.00 -1.12 0.19 121.76 127.44 2flf s ALA 85 Ca 0.00 -0.11 -0.05 0.00 0.00 0.00 0.00 51.96 51.79 2flf s ALA 85 Cb 0.00 0.18 0.07 0.00 0.00 0.00 0.00 23.12 23.37 2flf s ALA 85 CO 0.00 -0.29 0.30 -1.17 0.00 0.00 0.00 175.76 174.60 2flf s LEU 86 N -1.69 -0.29 -0.11 0.00 2.96 0.26 -0.44 118.68 119.37 2flf s LEU 86 Ca -0.10 0.68 -0.01 0.00 -0.22 0.00 0.00 54.13 54.48 2flf s LEU 86 Cb -0.04 0.87 -0.03 0.00 0.50 0.00 0.00 46.19 47.49 2flf s LEU 86 CO -0.00 -0.23 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.03 2flf s VAL 87 N 2.29 3.57 -0.21 1.68 1.01 -0.58 -0.42 120.40 127.74 2flf s VAL 87 Ca -0.01 -0.50 0.01 0.00 0.00 0.00 0.00 61.98 61.48 2flf s VAL 87 Cb -0.12 -2.50 0.03 0.00 0.00 0.00 0.00 36.38 33.79 2flf s VAL 87 CO -0.10 0.54 -0.15 -2.28 0.00 0.00 0.00 175.10 173.12 2flf s HIS 88 N -0.13 2.94 0.22 5.22 2.46 0.09 -1.03 115.29 125.07 2flf s HIS 88 Ca 0.01 -1.72 0.03 0.00 0.47 0.00 0.00 55.06 53.86 2flf s HIS 88 Cb -0.13 -1.96 -0.01 0.00 -0.13 0.00 0.00 32.58 30.35 2flf s HIS 88 CO 0.03 -0.79 0.12 0.00 -2.47 0.00 0.00 174.74 171.63 2flf n ALA 89 N 4.60 0.38 -3.17 1.58 0.00 -0.66 -2.58 120.51 120.66 2flf n ALA 89 Ca -0.19 -1.20 -0.22 0.00 0.00 0.00 0.00 53.44 51.83 2flf n ALA 89 Cb 0.48 0.87 -0.05 0.00 0.00 0.00 0.00 19.45 20.75 2flf n ALA 89 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2flf n HIS 90 N -0.48 1.08 -1.59 0.00 8.25 0.35 -1.39 115.22 121.44 2flf n HIS 90 Ca -0.00 -3.82 -0.46 0.00 -0.26 0.00 0.00 57.72 53.18 2flf n HIS 90 Cb 0.36 -0.43 -0.04 0.00 1.12 0.00 0.00 29.99 31.00 2flf n HIS 90 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2flf n PRO 91 N 0.56 1.89 0.00 -0.41 -0.04 -1.24 -4.53 135.00 131.23 2flf n PRO 91 Ca 0.25 0.59 0.00 0.00 -0.04 0.00 0.00 63.50 64.31 2flf n PRO 91 Cb 0.55 -2.88 0.00 0.00 -0.04 0.00 0.00 33.50 31.13 2flf n PRO 91 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2flf n ARG 92 N 7.99 0.00 -0.24 0.54 3.00 -1.26 -1.65 116.66 125.03 2flf n ARG 92 Ca 0.30 0.70 0.02 0.00 -0.01 0.00 0.00 57.85 58.86 2flf n ARG 92 Cb 0.35 -1.47 0.10 0.00 0.00 0.00 0.00 32.46 31.44 2flf n ARG 92 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 2flf h VAL 93 N 0.00 0.31 -0.51 1.55 2.07 -1.91 -0.36 116.25 117.40 2flf h VAL 93 Ca 0.00 -0.01 0.08 0.00 0.82 0.00 0.00 66.70 67.60 2flf h VAL 93 Cb 0.00 0.28 -0.07 0.00 -1.52 0.00 0.00 31.29 29.98 2flf h VAL 93 CO 0.00 0.00 0.11 0.00 0.02 0.00 0.00 177.57 177.71 2flf h ALA 94 N 1.70 0.58 -0.57 1.67 0.00 -1.83 0.39 119.26 121.20 2flf h ALA 94 Ca 0.36 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.37 2flf h ALA 94 Cb 0.57 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 2flf h ALA 94 CO -0.71 -0.30 0.37 0.28 0.00 0.00 0.00 179.25 178.90 2flf h VAL 95 N 0.25 1.15 0.13 0.00 2.07 -0.27 0.35 116.25 119.93 2flf h VAL 95 Ca 0.25 -0.28 0.01 0.00 0.82 0.00 0.00 66.70 67.50 2flf h VAL 95 Cb 0.33 0.32 -0.04 0.00 -1.52 0.00 0.00 31.29 30.38 2flf h VAL 95 CO -0.32 0.15 -0.51 0.00 0.02 0.00 0.00 177.57 176.90 2flf h ALA 96 N 1.20 -0.99 -0.99 1.67 0.00 0.45 -2.14 119.26 118.46 2flf h ALA 96 Ca 0.21 -0.11 0.14 0.00 0.00 0.00 0.00 54.91 55.15 2flf h ALA 96 Cb -0.08 0.88 -0.09 0.00 0.00 0.00 0.00 17.79 18.51 2flf h ALA 96 CO -0.04 -1.11 0.62 -0.07 0.00 0.00 0.00 179.25 178.65 2flf h LEU 97 N -0.74 0.87 0.00 0.00 3.38 -0.58 -3.16 115.31 115.09 2flf h LEU 97 Ca -0.01 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2flf h LEU 97 Cb 0.74 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.37 2flf h LEU 97 CO -0.27 0.43 0.00 -1.20 0.09 0.00 0.00 178.44 177.49 2flf n SER 98 N -4.64 0.00 -0.13 -0.43 7.64 0.08 -1.04 113.62 115.10 2flf n SER 98 Ca 0.20 0.84 0.12 0.00 1.01 0.00 0.00 58.87 61.04 2flf n SER 98 Cb 0.42 -0.38 0.22 0.00 -1.01 0.00 0.00 64.21 63.46 2flf n SER 98 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2flf n PHE 99 N -2.59 0.41 0.00 1.43 3.01 -1.19 -2.05 117.46 116.47 2flf n PHE 99 Ca 0.00 0.41 0.00 0.00 1.01 0.00 0.00 57.45 58.87 2flf n PHE 99 Cb 0.00 -0.86 0.00 0.00 -0.01 0.00 0.00 39.48 38.61 2flf n PHE 99 CO 0.00 0.00 0.00 0.72 1.01 0.00 0.00 176.76 178.49 2flf n HIS 100 N -3.78 0.00 -1.35 1.38 8.25 -0.21 -5.01 115.22 114.50 2flf n HIS 100 Ca 0.14 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.24 2flf n HIS 100 Cb 0.49 -0.19 0.07 0.00 1.12 0.00 0.00 29.99 31.48 2flf n HIS 100 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2flf n LEU 101 N -1.82 1.80 -0.08 2.41 4.77 -0.78 -4.95 117.00 118.35 2flf n LEU 101 Ca 0.00 0.65 -0.08 0.00 -0.03 0.00 0.00 56.01 56.55 2flf n LEU 101 Cb 0.00 -1.28 -0.16 0.00 -2.33 0.00 0.00 43.42 39.66 2flf n LEU 101 CO 0.00 -2.71 -1.04 -1.20 -1.33 0.00 0.00 177.39 171.11 2flf n SER 102 N -0.59 0.12 -3.81 -1.43 7.64 -1.26 -4.79 113.62 109.50 2flf n SER 102 Ca 0.11 0.06 -0.12 0.00 1.01 0.00 0.00 58.87 59.93 2flf n SER 102 Cb 0.49 0.91 -0.09 0.00 -1.01 0.00 0.00 64.21 64.52 2flf n SER 102 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2flf s ARG 103 N -2.57 0.64 -0.25 1.43 0.52 -1.26 -0.93 118.95 116.52 2flf s ARG 103 Ca -0.09 -0.39 -0.06 0.00 -0.52 0.00 0.00 55.73 54.67 2flf s ARG 103 Cb 0.07 0.27 -0.02 0.00 0.52 0.00 0.00 34.95 35.79 2flf s ARG 103 CO 0.83 -0.18 0.04 -1.17 0.02 0.00 0.00 175.30 174.85 2flf s LEU 104 N -1.60 3.34 -0.26 2.53 2.96 0.60 -4.89 118.68 121.36 2flf s LEU 104 Ca -0.11 -0.31 0.02 0.00 -0.22 0.00 0.00 54.13 53.51 2flf s LEU 104 Cb -0.04 -1.87 0.07 0.00 0.50 0.00 0.00 46.19 44.84 2flf s LEU 104 CO 0.01 -0.05 -0.04 -0.13 -1.32 0.00 0.00 176.35 174.82 2flf s ARG 105 N 1.57 1.70 0.63 1.98 0.52 -1.26 0.18 118.95 124.26 2flf s ARG 105 Ca 0.06 -1.22 -0.19 0.00 -0.52 0.00 0.00 55.73 53.86 2flf s ARG 105 Cb -0.15 -2.72 -0.02 0.00 0.52 0.00 0.00 34.95 32.58 2flf s ARG 105 CO 0.02 -0.67 1.31 -2.30 0.02 0.00 0.00 175.30 173.68 2flf n PRO 106 N 4.56 1.22 -0.43 3.54 -0.02 -1.26 -4.92 135.00 137.69 2flf n PRO 106 Ca -0.09 0.47 0.09 0.00 -2.02 0.00 0.00 63.50 61.95 2flf n PRO 106 Cb 0.43 -2.55 0.29 0.00 -0.02 0.00 0.00 33.50 31.65 2flf n PRO 106 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2flf n LEU 107 N -1.75 4.04 -4.27 2.45 4.77 -1.26 -4.63 117.00 116.35 2flf n LEU 107 Ca 0.15 -2.30 -0.26 0.00 -0.03 0.00 0.00 56.01 53.57 2flf n LEU 107 Cb 0.47 -0.47 -0.14 0.00 -2.33 0.00 0.00 43.42 40.96 2flf n LEU 107 CO 0.48 0.82 -0.53 1.51 -1.33 0.00 0.00 177.39 178.34 2flf s ASP 108 N -1.07 2.56 0.08 -1.43 -4.77 -1.26 -5.01 116.67 105.76 2flf s ASP 108 Ca 0.43 -0.55 -0.20 0.00 -3.30 0.00 0.00 52.55 48.92 2flf s ASP 108 Cb 0.26 -0.20 -0.07 0.00 -1.09 0.00 0.00 42.92 41.82 2flf s ASP 108 CO 0.23 0.16 1.33 0.25 0.70 0.00 0.00 175.17 177.83 2flf h LEU 109 N 4.74 -1.13 -1.11 2.11 5.85 -1.97 0.40 115.31 124.20 2flf h LEU 109 Ca -0.44 0.15 0.24 0.00 0.84 0.00 0.00 57.88 58.68 2flf h LEU 109 Cb 1.16 0.46 -0.11 0.00 0.37 0.00 0.00 40.66 42.54 2flf h LEU 109 CO 0.43 -0.24 0.62 -0.08 -0.34 0.00 0.00 178.44 178.83 2flf h GLU 110 N -0.24 0.54 0.39 1.25 4.57 -2.00 -0.61 114.58 118.49 2flf h GLU 110 Ca 0.04 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.17 2flf h GLU 110 Cb 0.36 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.83 2flf h GLU 110 CO -0.36 0.36 -0.19 0.78 -1.18 0.00 0.00 179.01 178.42 2flf h GLY 111 N 0.55 -0.55 -0.19 1.92 0.00 -1.58 -3.01 103.07 100.23 2flf h GLY 111 Ca 0.62 0.20 0.26 0.00 0.00 0.00 0.00 47.33 48.41 2flf h GLY 111 CO -0.41 -0.20 0.84 1.46 0.00 0.00 0.00 176.54 178.23 2flf h GLN 112 N -0.98 0.00 0.16 4.80 4.20 0.26 0.83 115.11 124.38 2flf h GLN 112 Ca -0.05 0.00 -0.33 0.00 0.06 0.00 0.00 58.65 58.33 2flf h GLN 112 Cb 0.40 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.19 2flf h GLN 112 CO 0.09 0.00 -1.61 1.25 -0.67 0.00 0.00 178.83 177.89 2flf h HIS 113 N 0.00 0.63 0.00 2.96 2.76 -1.16 -3.31 115.15 117.03 2flf h HIS 113 Ca 0.43 -0.46 -0.09 0.00 -2.20 0.00 0.00 60.37 58.05 2flf h HIS 113 Cb 2.10 -0.03 -0.02 0.00 1.55 0.00 0.00 27.41 31.02 2flf h HIS 113 CO 0.00 1.52 -1.73 0.66 -1.30 0.00 0.00 177.93 177.09 2flf n TYR 114 N -3.54 0.00 -2.37 5.26 4.01 -0.16 -4.58 117.16 115.76 2flf n TYR 114 Ca -0.20 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.31 2flf n TYR 114 Cb 1.06 -0.43 0.01 0.00 -0.31 0.00 0.00 39.34 39.67 2flf n TYR 114 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 2flf n LEU 115 N -2.16 4.34 -0.06 7.72 4.77 0.27 -4.73 117.00 127.15 2flf n LEU 115 Ca -0.09 -4.84 -0.00 0.00 -0.03 0.00 0.00 56.01 51.04 2flf n LEU 115 Cb 0.57 -0.30 0.01 0.00 -2.33 0.00 0.00 43.42 41.36 2flf n LEU 115 CO 0.29 2.08 0.10 0.29 -1.33 0.00 0.00 177.39 178.82 2flf n LYS 116 N -0.52 -0.04 -3.67 3.23 5.02 -1.22 -4.14 118.16 116.82 2flf n LYS 116 Ca 0.36 0.26 -0.10 0.00 -2.02 0.00 0.00 58.31 56.81 2flf n LYS 116 Cb 0.77 -0.38 -0.09 0.00 -0.02 0.00 0.00 35.03 35.31 2flf n LYS 116 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2flf s GLU 117 N -5.16 0.60 -0.38 1.97 2.12 -1.26 -4.46 118.70 112.14 2flf s GLU 117 Ca -0.02 0.96 -0.01 0.00 0.36 0.00 0.00 54.97 56.26 2flf s GLU 117 Cb 0.03 0.15 0.10 0.00 0.26 0.00 0.00 34.13 34.67 2flf s GLU 117 CO 0.12 -0.13 0.14 0.08 -0.54 0.00 0.00 175.26 174.93 2flf s VAL 118 N 1.15 2.99 0.74 3.70 1.01 0.48 -4.81 120.40 125.66 2flf s VAL 118 Ca -0.07 -2.06 -0.13 0.00 0.00 0.00 0.00 61.98 59.72 2flf s VAL 118 Cb -0.06 -3.05 0.05 0.00 0.00 0.00 0.00 36.38 33.32 2flf s VAL 118 CO -0.11 -0.61 1.14 -2.16 0.00 0.00 0.00 175.10 173.37 2flf s PRO 119 N 1.09 2.20 -0.17 2.72 0.04 -1.26 0.22 135.00 139.85 2flf s PRO 119 Ca 0.07 1.49 -0.03 0.00 0.04 0.00 0.00 61.00 62.58 2flf s PRO 119 Cb -0.21 -1.87 -0.02 0.00 0.04 0.00 0.00 34.50 32.44 2flf s PRO 119 CO -0.05 -1.73 -0.06 0.08 0.04 0.00 0.00 177.00 175.28 2flf s VAL 120 N -2.38 3.53 0.09 -0.36 1.01 -0.11 -1.80 120.40 120.38 2flf s VAL 120 Ca 0.68 -0.48 -0.08 0.00 0.00 0.00 0.00 61.98 62.11 2flf s VAL 120 Cb -0.23 -2.55 -0.06 0.00 0.00 0.00 0.00 36.38 33.55 2flf s VAL 120 CO 0.48 0.48 0.38 -0.76 0.00 0.00 0.00 175.10 175.68 2flf s LEU 121 N 0.68 4.32 -0.49 3.92 1.43 0.29 -4.89 118.68 123.94 2flf s LEU 121 Ca -0.03 0.72 0.06 0.00 -1.03 0.00 0.00 54.13 53.84 2flf s LEU 121 Cb -0.15 -3.06 0.22 0.00 0.03 0.00 0.00 46.19 43.23 2flf s LEU 121 CO 0.02 0.14 0.53 0.00 0.23 0.00 0.00 176.35 177.27 2flf n ALA 122 N 0.67 3.02 -1.58 4.21 0.00 -1.26 -0.91 120.51 124.65 2flf n ALA 122 Ca -0.06 -3.77 0.00 0.00 0.00 0.00 0.00 53.44 49.60 2flf n ALA 122 Cb 0.52 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 19.13 2flf n ALA 122 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2flf n PRO 123 N 1.68 2.86 0.00 0.00 -0.04 -1.26 -5.10 135.00 133.14 2flf n PRO 123 Ca 0.25 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 2flf n PRO 123 Cb 0.47 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.93 2flf n PRO 123 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2flf n LYS 124 N 0.00 0.00 0.00 0.54 5.02 -1.26 -5.07 118.16 117.39 2flf n LYS 124 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2flf n LYS 124 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2flf n LYS 124 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2flf n THR 129 N 0.00 0.00 -0.29 -0.18 -2.24 -1.26 -5.17 114.28 105.13 2flf n THR 129 Ca 0.00 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.80 2flf n THR 129 Cb 0.00 0.00 0.15 0.00 -2.10 0.00 0.00 70.33 68.38 2flf n THR 129 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2flf h GLU 130 N 0.00 0.82 -0.65 -0.78 5.08 -2.00 -1.98 114.58 115.07 2flf h GLU 130 Ca 0.00 -0.05 0.13 0.00 -1.00 0.00 0.00 59.36 58.44 2flf h GLU 130 Cb 0.00 -0.19 -0.12 0.00 0.50 0.00 0.00 28.75 28.94 2flf h GLU 130 CO 0.00 0.54 -0.12 0.93 -1.00 0.00 0.00 179.01 179.36 2flf h GLU 131 N 0.85 0.02 -0.03 2.33 4.39 -2.01 -2.01 114.58 118.12 2flf h GLU 131 Ca 0.38 -0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.85 2flf h GLU 131 Cb 0.29 -0.01 0.01 0.00 -0.10 0.00 0.00 28.75 28.94 2flf h GLU 131 CO -0.22 0.02 -0.91 0.00 -1.16 0.00 0.00 179.01 176.74 2flf h ALA 132 N 1.64 0.35 -0.63 3.43 0.00 -1.83 -2.77 119.26 119.44 2flf h ALA 132 Ca 0.32 -0.68 0.13 0.00 0.00 0.00 0.00 54.91 54.69 2flf h ALA 132 Cb 0.51 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.19 2flf h ALA 132 CO -0.65 0.76 0.06 0.00 0.00 0.00 0.00 179.25 179.43 2flf h ALA 133 N 0.68 0.69 0.26 0.00 0.00 -0.67 -1.30 119.26 118.91 2flf h ALA 133 Ca -0.08 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2flf h ALA 133 Cb 1.54 0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.61 2flf h ALA 133 CO 0.17 -0.37 -0.12 1.25 0.00 0.00 0.00 179.25 180.18 2flf h LEU 134 N 0.17 -0.29 -0.62 0.00 5.85 -1.47 -1.02 115.31 117.93 2flf h LEU 134 Ca 0.34 0.01 0.12 0.00 0.84 0.00 0.00 57.88 59.19 2flf h LEU 134 Cb 0.54 0.08 -0.12 0.00 0.37 0.00 0.00 40.66 41.53 2flf h LEU 134 CO -0.49 -0.19 -0.16 -0.24 -0.34 0.00 0.00 178.44 177.02 2flf n SER 135 N -3.03 -0.23 0.09 1.25 2.88 -1.00 -0.12 113.62 113.45 2flf n SER 135 Ca -0.04 1.06 -0.12 0.00 -1.33 0.00 0.00 58.87 58.44 2flf n SER 135 Cb 0.14 -0.32 -0.08 0.00 -0.75 0.00 0.00 64.21 63.20 2flf n SER 135 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 2flf h VAL 136 N 0.00 0.84 0.00 2.46 2.07 -1.23 -3.07 116.25 117.33 2flf h VAL 136 Ca 0.29 -0.91 0.00 0.00 0.82 0.00 0.00 66.70 66.90 2flf h VAL 136 Cb 0.45 1.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 2flf h VAL 136 CO -0.63 0.18 0.00 0.00 0.02 0.00 0.00 177.57 177.14 2flf n ALA 137 N -2.50 1.77 0.07 1.67 0.00 0.82 -1.59 120.51 120.75 2flf n ALA 137 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2flf n ALA 137 Cb 0.26 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.71 2flf n ALA 137 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2flf n GLU 138 N 0.75 0.00 -0.07 0.00 1.02 -1.07 -4.73 120.64 116.54 2flf n GLU 138 Ca 0.00 0.00 0.16 0.00 -0.02 0.00 0.00 57.16 57.30 2flf n GLU 138 Cb 0.15 -0.27 0.58 0.00 -0.02 0.00 0.00 31.44 31.88 2flf n GLU 138 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2flf h ALA 139 N 0.00 2.23 0.00 0.62 0.00 -1.24 -1.52 119.26 119.35 2flf h ALA 139 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2flf h ALA 139 Cb 0.13 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2flf h ALA 139 CO 0.00 -0.39 0.00 1.28 0.00 0.00 0.00 179.25 180.14 2flf n LEU 140 N -4.44 0.69 -0.09 0.00 4.77 -0.62 -1.86 117.00 115.46 2flf n LEU 140 Ca 0.11 -0.35 -0.12 0.00 -0.03 0.00 0.00 56.01 55.62 2flf n LEU 140 Cb 0.50 -0.35 -0.04 0.00 -2.33 0.00 0.00 43.42 41.21 2flf n LEU 140 CO 0.35 0.17 -0.76 -1.14 -1.33 0.00 0.00 177.39 174.68 2flf n ARG 141 N -0.15 0.49 0.02 3.23 0.63 -0.57 -4.51 116.66 115.80 2flf n ARG 141 Ca 0.00 0.20 0.13 0.00 -0.92 0.00 0.00 57.85 57.26 2flf n ARG 141 Cb 0.17 -1.36 0.47 0.00 0.45 0.00 0.00 32.46 32.20 2flf n ARG 141 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2flf n GLU 142 N -4.33 0.05 -4.17 -0.14 1.02 -1.25 -4.83 120.64 106.99 2flf n GLU 142 Ca -0.20 0.03 -0.18 0.00 -0.02 0.00 0.00 57.16 56.80 2flf n GLU 142 Cb 0.55 -1.55 -0.12 0.00 -0.02 0.00 0.00 31.44 30.29 2flf n GLU 142 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2flf s HIS 143 N -3.02 1.17 -1.91 -0.32 3.76 -0.77 -5.05 115.29 109.15 2flf s HIS 143 Ca 0.12 -0.46 0.24 0.00 -0.15 0.00 0.00 55.06 54.81 2flf s HIS 143 Cb 0.17 -0.66 0.21 0.00 1.11 0.00 0.00 32.58 33.41 2flf s HIS 143 CO 0.59 0.05 1.23 0.54 -0.85 0.00 0.00 174.74 176.29 2flf n ARG 144 N 1.33 1.05 -3.69 1.40 1.74 -1.26 -3.96 116.66 113.27 2flf n ARG 144 Ca -0.21 -0.81 -0.14 0.00 -0.77 0.00 0.00 57.85 55.92 2flf n ARG 144 Cb 0.54 -1.48 -0.09 0.00 -1.02 0.00 0.00 32.46 30.41 2flf n ARG 144 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2flf s ALA 145 N -2.51 -1.28 0.10 7.54 0.00 -1.25 0.56 121.76 124.92 2flf s ALA 145 Ca 0.20 1.36 0.03 0.00 0.00 0.00 0.00 51.96 53.55 2flf s ALA 145 Cb 0.18 -0.71 -0.04 0.00 0.00 0.00 0.00 23.12 22.55 2flf s ALA 145 CO 0.57 -0.26 -0.09 0.00 0.00 0.00 0.00 175.76 175.98 2flf s LEU 147 N -2.55 2.73 -0.65 0.00 1.43 -0.75 -0.25 118.68 118.64 2flf s LEU 147 Ca 0.06 -0.37 -0.17 0.00 -1.03 0.00 0.00 54.13 52.62 2flf s LEU 147 Cb -0.01 -1.64 0.13 0.00 0.03 0.00 0.00 46.19 44.70 2flf s LEU 147 CO -0.01 0.10 0.69 -0.76 0.23 0.00 0.00 176.35 176.60 2flf s LEU 148 N 0.77 5.85 -0.21 1.79 1.43 -0.35 0.10 118.68 128.06 2flf s LEU 148 Ca -0.04 -1.82 -0.18 0.00 -1.03 0.00 0.00 54.13 51.05 2flf s LEU 148 Cb -0.15 -2.27 -0.08 0.00 0.03 0.00 0.00 46.19 43.72 2flf s LEU 148 CO 0.01 -0.94 0.89 -1.14 0.23 0.00 0.00 176.35 175.40 2flf n ARG 149 N 5.60 0.00 0.00 1.70 0.63 -0.09 0.12 116.66 124.63 2flf n ARG 149 Ca -0.04 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.89 2flf n ARG 149 Cb 0.43 -0.63 0.00 0.00 0.45 0.00 0.00 32.46 32.71 2flf n ARG 149 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2flf n GLY 150 N 3.11 2.83 0.00 5.14 0.00 -1.26 -4.83 105.19 110.18 2flf n GLY 150 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 2flf n GLY 150 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2flf n HIS 151 N -1.16 0.00 0.00 1.61 -0.00 0.33 -5.10 115.22 110.89 2flf n HIS 151 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2flf n HIS 151 Cb 0.00 -0.15 0.00 0.00 -0.12 0.00 0.00 29.99 29.72 2flf n HIS 151 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2flf n GLY 152 N 2.12 2.95 3.37 1.57 0.00 -1.04 -4.85 105.19 109.32 2flf n GLY 152 Ca 0.00 -0.04 -0.12 0.00 0.00 0.00 0.00 46.02 45.86 2flf n GLY 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2flf s ALA 153 N -1.00 -1.21 -0.16 4.61 0.00 -0.48 -1.22 121.76 122.30 2flf s ALA 153 Ca 0.00 1.48 -0.03 0.00 0.00 0.00 0.00 51.96 53.41 2flf s ALA 153 Cb 0.00 -0.87 -0.02 0.00 0.00 0.00 0.00 23.12 22.23 2flf s ALA 153 CO 0.00 -0.25 -0.06 -0.06 0.00 0.00 0.00 175.76 175.40 2flf s PHE 154 N 0.62 2.96 -0.13 0.00 0.40 0.65 -1.66 117.98 120.83 2flf s PHE 154 Ca -0.03 -0.49 0.02 0.00 -0.60 0.00 0.00 56.93 55.84 2flf s PHE 154 Cb -0.05 -1.96 0.00 0.00 0.51 0.00 0.00 43.02 41.52 2flf s PHE 154 CO -0.04 -0.17 -0.20 0.00 0.70 0.00 0.00 175.22 175.51 2flf s ALA 155 N 0.58 2.33 0.29 5.36 0.00 -0.20 -0.24 121.76 129.89 2flf s ALA 155 Ca -0.04 -1.02 -0.25 0.00 0.00 0.00 0.00 51.96 50.65 2flf s ALA 155 Cb -0.15 -1.03 -0.09 0.00 0.00 0.00 0.00 23.12 21.85 2flf s ALA 155 CO 0.03 0.10 0.90 0.08 0.00 0.00 0.00 175.76 176.86 2flf s VAL 156 N 0.62 4.28 -0.01 0.00 1.01 0.19 -1.53 120.40 124.96 2flf s VAL 156 Ca -0.11 1.73 0.05 0.00 0.00 0.00 0.00 61.98 63.66 2flf s VAL 156 Cb -0.16 -4.00 -0.03 0.00 0.00 0.00 0.00 36.38 32.19 2flf s VAL 156 CO 0.03 0.19 -0.17 -0.83 0.00 0.00 0.00 175.10 174.32 2flf s GLY 157 N -1.59 1.52 0.00 4.51 0.00 0.41 -4.10 107.32 108.08 2flf s GLY 157 Ca 0.48 -1.07 0.00 0.00 0.00 0.00 0.00 44.72 44.13 2flf s GLY 157 CO 0.24 -0.90 0.14 1.04 0.00 0.00 0.00 173.10 173.62 2flf n LEU 158 N 2.04 0.28 -4.65 0.66 4.77 -1.26 -2.24 117.00 116.61 2flf n LEU 158 Ca -0.17 -0.36 -0.30 0.00 -0.03 0.00 0.00 56.01 55.15 2flf n LEU 158 Cb 0.52 0.00 0.18 0.00 -2.33 0.00 0.00 43.42 41.79 2flf n LEU 158 CO 0.26 0.07 0.65 -0.54 -1.33 0.00 0.00 177.39 176.50 2flf s LYS 159 N -0.15 0.74 -0.05 3.23 3.01 -1.26 -4.91 119.74 120.35 2flf s LYS 159 Ca 0.00 1.38 -0.14 0.00 -1.01 0.00 0.00 55.97 56.20 2flf s LYS 159 Cb 0.00 -1.71 -0.08 0.00 -1.01 0.00 0.00 37.83 35.03 2flf s LYS 159 CO 0.00 -2.76 0.59 1.49 0.51 0.00 0.00 175.35 175.17 2flf h GLU 160 N -1.96 -0.42 -6.85 1.68 4.57 -1.99 -3.41 114.58 106.20 2flf h GLU 160 Ca -0.47 0.03 -0.57 0.00 -1.18 0.00 0.00 59.36 57.17 2flf h GLU 160 Cb 1.28 0.10 0.17 0.00 -0.16 0.00 0.00 28.75 30.13 2flf h GLU 160 CO 0.44 -0.23 0.11 0.00 -1.18 0.00 0.00 179.01 178.15 2flf n ALA 161 N -2.72 0.12 0.14 2.92 0.00 -1.26 -4.93 120.51 114.78 2flf n ALA 161 Ca -0.06 -0.02 -0.10 0.00 0.00 0.00 0.00 53.44 53.26 2flf n ALA 161 Cb 0.20 -2.11 -0.06 0.00 0.00 0.00 0.00 19.45 17.49 2flf n ALA 161 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2flf h PRO 162 N 0.37 -0.41 -0.80 0.00 0.13 -1.92 -3.10 132.00 126.26 2flf h PRO 162 Ca -0.49 0.03 0.17 0.00 -0.87 0.00 0.00 66.00 64.84 2flf h PRO 162 Cb 1.36 0.09 -0.15 0.00 0.13 0.00 0.00 31.00 32.44 2flf h PRO 162 CO 0.50 -0.14 -0.17 0.93 -0.23 0.00 0.00 178.00 178.90 2flf h GLU 163 N -1.02 0.01 -0.05 0.86 3.07 -1.91 -1.48 114.58 114.06 2flf h GLU 163 Ca -0.04 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 2flf h GLU 163 Cb 0.46 -0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.37 2flf h GLU 163 CO 0.07 0.01 0.03 0.93 -1.40 0.00 0.00 179.01 178.65 2flf h GLU 164 N 0.01 0.07 -0.85 2.33 5.08 -1.94 -1.68 114.58 117.59 2flf h GLU 164 Ca 0.40 -0.00 0.13 0.00 -1.00 0.00 0.00 59.36 58.88 2flf h GLU 164 Cb 0.62 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.80 2flf h GLU 164 CO -0.81 0.04 0.55 0.00 -1.00 0.00 0.00 179.01 177.80 2flf h ALA 165 N 1.02 1.83 -0.01 3.43 0.00 -1.21 0.15 119.26 124.46 2flf h ALA 165 Ca 0.02 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2flf h ALA 165 Cb -0.01 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 2flf h ALA 165 CO -0.00 -0.05 -0.01 1.25 0.00 0.00 0.00 179.25 180.44 2flf h LEU 166 N 0.68 0.03 -1.27 0.00 5.85 -0.85 -0.47 115.31 119.28 2flf h LEU 166 Ca 0.42 -0.41 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 2flf h LEU 166 Cb 0.65 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.65 2flf h LEU 166 CO -0.18 0.44 0.11 -0.07 -0.34 0.00 0.00 178.44 178.40 2flf h LEU 167 N -0.38 0.56 -0.80 2.25 3.38 -0.83 0.23 115.31 119.72 2flf h LEU 167 Ca 0.00 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 2flf h LEU 167 Cb 0.42 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 2flf h LEU 167 CO 0.00 0.55 0.10 -0.08 0.09 0.00 0.00 178.44 179.10 2flf h GLU 168 N 0.59 1.00 -0.15 1.13 4.81 -0.56 1.27 114.58 122.68 2flf h GLU 168 Ca 0.14 -0.26 -0.16 0.00 -0.13 0.00 0.00 59.36 58.96 2flf h GLU 168 Cb 0.21 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 2flf h GLU 168 CO -0.00 0.93 -0.56 0.00 -0.73 0.00 0.00 179.01 178.64 2flf h ALA 169 N 1.15 0.75 0.00 2.92 0.00 -0.35 0.12 119.26 123.85 2flf h ALA 169 Ca 0.19 -0.52 -0.07 0.00 0.00 0.00 0.00 54.91 54.51 2flf h ALA 169 Cb 0.41 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2flf h ALA 169 CO 0.01 0.70 -0.34 -0.92 0.00 0.00 0.00 179.25 178.70 2flf h TYR 170 N 0.35 0.00 0.10 0.00 5.03 0.11 -1.72 116.97 120.84 2flf h TYR 170 Ca 0.00 0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.31 2flf h TYR 170 Cb 1.09 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.37 2flf h TYR 170 CO 0.04 0.34 -0.05 0.78 -1.32 0.00 0.00 178.16 177.95 2flf h GLY 171 N 2.38 -0.14 1.82 1.82 0.00 0.24 -2.84 103.07 106.36 2flf h GLY 171 Ca -0.00 0.05 0.02 0.00 0.00 0.00 0.00 47.33 47.40 2flf h GLY 171 CO 0.04 -0.05 0.07 1.41 0.00 0.00 0.00 176.54 178.01 2flf h LEU 172 N -0.64 0.00 -0.06 3.11 3.38 -0.67 -2.48 115.31 117.95 2flf h LEU 172 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2flf h LEU 172 Cb 0.51 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 2flf h LEU 172 CO 0.02 0.00 0.00 -0.03 0.09 0.00 0.00 178.44 178.52 2flf h MET 173 N 0.00 0.11 -0.00 1.13 4.05 -1.12 0.28 114.93 119.37 2flf h MET 173 Ca 0.03 -0.03 -0.05 0.00 -0.28 0.00 0.00 59.70 59.37 2flf h MET 173 Cb 0.17 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 30.95 2flf h MET 173 CO -0.00 0.38 -0.24 1.79 0.23 0.00 0.00 176.91 179.07 2flf h THR 174 N -0.18 1.17 -0.26 -0.77 1.35 -1.24 -2.09 112.91 110.90 2flf h THR 174 Ca 0.02 -0.83 -0.17 0.00 -0.55 0.00 0.00 66.41 64.88 2flf h THR 174 Cb 0.33 1.44 0.00 0.00 -1.73 0.00 0.00 68.15 68.20 2flf h THR 174 CO 0.00 0.24 -0.52 0.74 -0.25 0.00 0.00 175.52 175.73 2flf h THR 175 N 0.00 1.29 0.12 6.82 2.02 -1.17 -0.92 112.91 121.07 2flf h THR 175 Ca -0.00 -1.71 0.01 0.00 0.77 0.00 0.00 66.41 65.48 2flf h THR 175 Cb 0.43 1.70 -0.02 0.00 -1.74 0.00 0.00 68.15 68.52 2flf h THR 175 CO 0.03 0.55 -0.16 0.25 0.37 0.00 0.00 175.52 176.57 2flf h LEU 176 N 0.58 -0.42 -0.28 2.58 5.85 0.11 -1.90 115.31 121.83 2flf h LEU 176 Ca 0.01 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.78 2flf h LEU 176 Cb 1.13 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.30 2flf h LEU 176 CO 0.12 -0.23 0.18 -0.33 -0.34 0.00 0.00 178.44 177.84 2flf h GLU 177 N -0.32 0.36 -0.32 1.25 4.39 -1.28 -2.07 114.58 116.59 2flf h GLU 177 Ca 0.01 -0.02 0.04 0.00 0.34 0.00 0.00 59.36 59.73 2flf h GLU 177 Cb 0.32 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.88 2flf h GLU 177 CO -0.07 0.24 0.22 1.49 -1.16 0.00 0.00 179.01 179.73 2flf h GLU 178 N 0.37 0.24 -0.04 2.33 4.81 -1.07 -0.25 114.58 120.98 2flf h GLU 178 Ca 0.10 -0.01 -0.22 0.00 -0.13 0.00 0.00 59.36 59.10 2flf h GLU 178 Cb -0.04 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.29 2flf h GLU 178 CO -0.02 0.16 -0.87 0.77 -0.73 0.00 0.00 179.01 178.32 2flf h SER 179 N 0.25 0.62 -0.28 1.04 0.02 -0.89 -1.87 113.55 112.44 2flf h SER 179 Ca 0.14 -0.46 -0.04 0.00 -0.84 0.00 0.00 61.79 60.59 2flf h SER 179 Cb 0.23 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 2flf h SER 179 CO -0.03 1.24 0.03 0.00 -1.14 0.00 0.00 176.83 176.94 2flf h ALA 180 N 0.73 0.37 -0.32 3.77 0.00 -0.60 -0.09 119.26 123.12 2flf h ALA 180 Ca -0.07 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.70 2flf h ALA 180 Cb 1.49 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 19.13 2flf h ALA 180 CO 0.16 0.08 0.02 1.96 0.00 0.00 0.00 179.25 181.47 2flf h GLN 181 N 0.28 0.12 0.22 0.00 4.20 -1.07 0.23 115.11 119.09 2flf h GLN 181 Ca 0.08 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.79 2flf h GLN 181 Cb 0.36 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.09 2flf h GLN 181 CO 0.01 0.08 -0.24 0.82 -0.67 0.00 0.00 178.83 178.82 2flf h ILE 182 N 0.12 0.48 -0.37 2.54 2.04 -1.19 0.50 117.51 121.62 2flf h ILE 182 Ca 0.16 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.07 2flf h ILE 182 Cb 0.20 0.48 -0.08 0.00 -0.74 0.00 0.00 36.82 36.67 2flf h ILE 182 CO -0.24 0.00 -0.48 -0.07 0.00 0.00 0.00 178.15 177.36 2flf h LEU 183 N -0.51 -1.59 -0.29 1.44 4.07 -0.35 0.20 115.31 118.28 2flf h LEU 183 Ca 0.00 0.22 0.05 0.00 0.08 0.00 0.00 57.88 58.23 2flf h LEU 183 Cb 0.48 0.67 -0.04 0.00 1.08 0.00 0.00 40.66 42.85 2flf h LEU 183 CO -0.07 -0.39 0.02 0.25 -1.08 0.00 0.00 178.44 177.17 2flf h LEU 184 N -0.38 -0.06 -0.60 1.67 5.85 0.20 -1.75 115.31 120.23 2flf h LEU 184 Ca 0.11 0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.83 2flf h LEU 184 Cb 0.60 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.70 2flf h LEU 184 CO -0.56 0.00 0.18 1.88 -0.34 0.00 0.00 178.44 179.60 2flf h TYR 185 N 0.12 0.97 -0.63 1.25 0.99 0.47 -1.53 116.97 118.60 2flf h TYR 185 Ca 0.14 -0.10 0.11 0.00 2.00 0.00 0.00 58.73 60.88 2flf h TYR 185 Cb 0.17 -0.28 -0.12 0.00 1.00 0.00 0.00 36.73 37.50 2flf h TYR 185 CO -0.20 0.80 -0.32 1.25 -0.00 0.00 0.00 178.16 179.70 2flf h HIS 186 N 0.85 -0.86 -0.31 4.88 2.76 -0.14 -0.57 115.15 121.76 2flf h HIS 186 Ca 0.19 0.07 -0.03 0.00 -2.20 0.00 0.00 60.37 58.40 2flf h HIS 186 Cb 0.29 0.47 -0.01 0.00 1.55 0.00 0.00 27.41 29.71 2flf h HIS 186 CO 0.02 -0.37 0.06 -0.09 -1.30 0.00 0.00 177.93 176.24 2flf h ARG 187 N -0.13 0.50 0.00 5.26 2.43 -0.96 -2.47 114.38 119.01 2flf h ARG 187 Ca 0.25 -0.13 -0.04 0.00 -0.81 0.00 0.00 59.98 59.26 2flf h ARG 187 Cb 0.55 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 2flf h ARG 187 CO -0.71 0.59 -0.17 -0.07 -1.51 0.00 0.00 179.97 178.10 2flf h LEU 188 N 0.33 0.00 0.00 3.80 3.38 -0.68 -3.23 115.31 118.91 2flf h LEU 188 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2flf h LEU 188 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2flf h LEU 188 CO 0.00 0.17 -0.02 -0.25 0.09 0.00 0.00 178.44 178.44 2flf h TRP 189 N 0.00 0.00 -2.61 1.13 2.91 -1.01 -3.35 115.95 113.03 2flf h TRP 189 Ca -0.00 0.00 -0.73 0.00 1.13 0.00 0.00 58.89 59.29 2flf h TRP 189 Cb 0.41 0.00 -0.20 0.00 -0.51 0.00 0.00 29.16 28.86 2flf h TRP 189 CO 0.00 0.00 0.91 -1.14 -1.03 0.00 0.00 178.44 177.18 2flf s GLN 190 N -1.52 3.86 0.00 2.65 0.74 -0.94 -3.48 119.66 120.97 2flf s GLN 190 Ca -0.00 -2.33 0.00 0.00 0.05 0.00 0.00 55.36 53.07 2flf s GLN 190 Cb 0.00 -4.88 0.00 0.00 1.10 0.00 0.00 33.01 29.23 2flf s GLN 190 CO 0.01 -1.65 0.00 0.41 -0.55 0.00 0.00 175.29 173.50 2flf n GLY 191 N 4.46 0.00 0.00 2.59 0.00 -1.22 -4.70 105.19 106.32 2flf n GLY 191 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.30 2flf n GLY 191 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2flf n ALA 192 N 0.00 0.00 -1.31 4.61 0.00 -1.23 -4.90 120.51 117.67 2flf n ALA 192 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2flf n ALA 192 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2flf n ALA 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91