#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fbf s GLN 2 N 0.00 0.70 0.06 1.96 -0.21 -0.86 -4.87 119.66 116.45 3fbf s GLN 2 Ca 0.00 -1.12 0.08 0.00 0.02 0.00 0.00 55.36 54.33 3fbf s GLN 2 Cb 0.00 0.26 -0.03 0.00 1.00 0.00 0.00 33.01 34.24 3fbf s GLN 2 CO 0.00 -0.17 -0.21 1.03 -2.12 0.00 0.00 175.29 173.82 3fbf s ARG 3 N -3.90 1.33 0.06 2.91 0.52 -1.26 -2.22 118.95 116.39 3fbf s ARG 3 Ca 0.06 -1.03 -0.05 0.00 -0.52 0.00 0.00 55.73 54.19 3fbf s ARG 3 Cb 0.07 -1.50 -0.02 0.00 0.52 0.00 0.00 34.95 34.02 3fbf s ARG 3 CO -0.10 0.37 0.09 -0.08 0.02 0.00 0.00 175.30 175.60 3fbf s THR 4 N -0.92 0.17 -0.23 0.02 -1.32 -0.59 -4.70 115.64 108.07 3fbf s THR 4 Ca 0.08 -1.37 -0.07 0.00 -1.21 0.00 0.00 61.69 59.12 3fbf s THR 4 Cb -0.09 -1.28 -0.03 0.00 -1.51 0.00 0.00 72.50 69.58 3fbf s THR 4 CO 0.03 -0.75 0.07 -0.22 -2.21 0.00 0.00 174.62 171.53 3fbf s LEU 5 N -2.69 3.56 -0.09 9.08 2.96 -1.26 -1.18 118.68 129.05 3fbf s LEU 5 Ca 0.03 -0.11 0.02 0.00 -0.22 0.00 0.00 54.13 53.84 3fbf s LEU 5 Cb 0.04 -1.94 -0.02 0.00 0.50 0.00 0.00 46.19 44.78 3fbf s LEU 5 CO -0.09 0.03 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.14 3fbf s VAL 6 N 1.21 3.02 -0.17 1.68 1.01 0.65 -1.97 120.40 125.82 3fbf s VAL 6 Ca 0.05 -0.70 -0.03 0.00 0.00 0.00 0.00 61.98 61.29 3fbf s VAL 6 Cb -0.14 -2.22 -0.02 0.00 0.00 0.00 0.00 36.38 33.99 3fbf s VAL 6 CO 0.03 0.56 -0.04 -0.76 0.00 0.00 0.00 175.10 174.89 3fbf s LEU 7 N -0.15 3.11 -0.26 3.92 1.43 0.10 -0.28 118.68 126.55 3fbf s LEU 7 Ca -0.01 -0.22 -0.22 0.00 -1.03 0.00 0.00 54.13 52.65 3fbf s LEU 7 Cb -0.14 -1.76 -0.01 0.00 0.03 0.00 0.00 46.19 44.31 3fbf s LEU 7 CO 0.03 0.11 0.70 -0.63 0.23 0.00 0.00 176.35 176.79 3fbf s ILE 8 N 0.70 4.92 0.65 -0.59 -1.09 0.48 -0.48 121.20 125.80 3fbf s ILE 8 Ca -0.02 1.22 -0.07 0.00 -2.23 0.00 0.00 60.65 59.55 3fbf s ILE 8 Cb -0.15 -4.01 0.03 0.00 -1.58 0.00 0.00 42.46 36.75 3fbf s ILE 8 CO 0.02 -0.05 0.97 -0.54 -1.23 0.00 0.00 174.94 174.11 3fbf s LYS 9 N 2.65 2.63 0.52 2.79 1.02 0.05 -2.46 119.74 126.94 3fbf s LYS 9 Ca 0.29 -0.04 0.17 0.00 0.02 0.00 0.00 55.97 56.41 3fbf s LYS 9 Cb -0.15 -2.20 1.27 0.00 -0.52 0.00 0.00 37.83 36.23 3fbf s LYS 9 CO 0.09 -0.95 2.11 -1.35 -0.92 0.00 0.00 175.35 174.33 3fbf h PRO 10 N -0.40 0.03 -0.00 -1.68 0.11 -1.84 -1.47 132.00 126.74 3fbf h PRO 10 Ca -0.45 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.61 3fbf h PRO 10 Cb 1.28 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 3fbf h PRO 10 CO 0.61 0.02 -0.23 0.38 -0.21 0.00 0.00 178.00 178.57 3fbf h ASP 11 N 0.03 0.00 -0.81 -2.05 2.03 -1.91 -0.04 116.42 113.67 3fbf h ASP 11 Ca 0.06 -0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.35 3fbf h ASP 11 Cb 0.21 -0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 38.67 3fbf h ASP 11 CO -0.00 0.24 0.47 0.00 -1.03 0.00 0.00 179.24 178.91 3fbf h ALA 12 N 1.76 1.29 0.01 4.15 0.00 -1.52 0.10 119.26 125.05 3fbf h ALA 12 Ca -0.00 -0.11 -0.18 0.00 0.00 0.00 0.00 54.91 54.62 3fbf h ALA 12 Cb 0.41 -0.33 0.02 0.00 0.00 0.00 0.00 17.79 17.89 3fbf h ALA 12 CO 0.03 0.59 -0.72 0.74 0.00 0.00 0.00 179.25 179.89 3fbf h PHE 13 N 1.13 0.71 -0.94 0.00 -1.00 -1.38 0.90 116.94 116.36 3fbf h PHE 13 Ca 0.29 -0.39 0.14 0.00 2.81 0.00 0.00 57.97 60.82 3fbf h PHE 13 Cb -0.01 -0.08 -0.09 0.00 3.61 0.00 0.00 35.95 39.38 3fbf h PHE 13 CO 0.01 1.22 0.56 1.49 -1.61 0.00 0.00 178.31 179.97 3fbf h GLU 14 N -0.01 0.81 -0.55 1.51 4.57 -0.79 -2.74 114.58 117.38 3fbf h GLU 14 Ca -0.09 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.04 3fbf h GLU 14 Cb 1.43 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 29.83 3fbf h GLU 14 CO 0.14 0.53 0.00 0.54 -1.18 0.00 0.00 179.01 179.04 3fbf n ARG 15 N -4.73 2.61 -3.45 1.92 1.74 0.33 -4.96 116.66 110.11 3fbf n ARG 15 Ca 0.19 -2.43 -0.24 0.00 -0.77 0.00 0.00 57.85 54.60 3fbf n ARG 15 Cb 0.40 -1.51 0.07 0.00 -1.02 0.00 0.00 32.46 30.40 3fbf n ARG 15 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3fbf n SER 16 N 1.46 -6.26 -0.70 0.55 7.64 -0.87 -4.90 113.62 110.53 3fbf n SER 16 Ca 0.21 -0.48 0.08 0.00 1.01 0.00 0.00 58.87 59.69 3fbf n SER 16 Cb 0.59 -4.96 0.21 0.00 -1.01 0.00 0.00 64.21 59.04 3fbf n SER 16 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3fbf n LEU 17 N -4.73 3.43 -0.03 -3.43 4.77 0.26 -4.73 117.00 112.53 3fbf n LEU 17 Ca -0.02 -2.79 -0.13 0.00 -0.03 0.00 0.00 56.01 53.04 3fbf n LEU 17 Cb 0.58 -0.45 -0.08 0.00 -2.33 0.00 0.00 43.42 41.13 3fbf n LEU 17 CO 0.61 0.68 0.64 0.58 -1.33 0.00 0.00 177.39 178.57 3fbf h VAL 18 N 1.54 1.35 -0.70 4.08 2.07 -1.91 -2.24 116.25 120.45 3fbf h VAL 18 Ca 0.00 -1.15 -0.07 0.00 0.82 0.00 0.00 66.70 66.30 3fbf h VAL 18 Cb 1.21 1.98 -0.03 0.00 -1.52 0.00 0.00 31.29 32.93 3fbf h VAL 18 CO 0.14 0.32 0.18 0.00 0.02 0.00 0.00 177.57 178.23 3fbf h ALA 19 N 0.58 0.92 -0.63 1.67 0.00 -1.94 -1.76 119.26 118.10 3fbf h ALA 19 Ca 0.01 -0.24 0.07 0.00 0.00 0.00 0.00 54.91 54.75 3fbf h ALA 19 Cb 0.54 -0.27 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 3fbf h ALA 19 CO 0.01 0.63 0.30 1.49 0.00 0.00 0.00 179.25 181.69 3fbf h GLU 20 N 1.04 0.53 0.43 0.00 4.57 -1.86 0.70 114.58 120.00 3fbf h GLU 20 Ca 0.22 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.35 3fbf h GLU 20 Cb 0.36 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.84 3fbf h GLU 20 CO 0.00 0.35 -0.21 0.82 -1.18 0.00 0.00 179.01 178.80 3fbf h ILE 21 N 0.55 0.52 -0.90 2.32 2.04 -1.22 -2.65 117.51 118.17 3fbf h ILE 21 Ca 0.30 -0.41 0.03 0.00 1.00 0.00 0.00 64.86 65.77 3fbf h ILE 21 Cb 0.27 0.70 -0.05 0.00 -0.74 0.00 0.00 36.82 37.00 3fbf h ILE 21 CO -0.23 0.07 0.59 0.24 0.00 0.00 0.00 178.15 178.82 3fbf h MET 22 N -0.84 1.12 -0.76 2.37 2.86 -1.11 -2.08 114.93 116.49 3fbf h MET 22 Ca -0.06 -0.07 0.06 0.00 -2.06 0.00 0.00 59.70 57.57 3fbf h MET 22 Cb 0.55 -0.25 -0.05 0.00 0.06 0.00 0.00 31.60 31.91 3fbf h MET 22 CO 0.10 0.74 0.50 0.78 1.06 0.00 0.00 176.91 180.09 3fbf h GLY 23 N 1.15 1.04 1.33 8.32 0.00 0.41 0.23 103.07 115.56 3fbf h GLY 23 Ca 0.35 -0.34 -0.13 0.00 0.00 0.00 0.00 47.33 47.22 3fbf h GLY 23 CO -0.10 0.25 -0.29 3.21 0.00 0.00 0.00 176.54 179.62 3fbf h ARG 24 N 0.84 0.76 -0.12 4.80 3.08 -1.00 0.14 114.38 122.87 3fbf h ARG 24 Ca 0.33 -0.34 -0.17 0.00 0.07 0.00 0.00 59.98 59.87 3fbf h ARG 24 Cb 0.21 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 3fbf h ARG 24 CO -0.11 0.96 -0.64 0.82 -1.07 0.00 0.00 179.97 179.92 3fbf h ILE 25 N 0.65 1.35 -0.62 2.04 2.04 -1.24 -3.04 117.51 118.69 3fbf h ILE 25 Ca 0.08 -1.98 -0.04 0.00 1.00 0.00 0.00 64.86 63.92 3fbf h ILE 25 Cb 0.81 1.96 -0.03 0.00 -0.74 0.00 0.00 36.82 38.83 3fbf h ILE 25 CO 0.07 0.60 0.23 -0.08 0.00 0.00 0.00 178.15 178.97 3fbf h GLU 26 N 0.33 0.95 0.00 2.37 4.81 -0.23 -3.04 114.58 119.77 3fbf h GLU 26 Ca -0.01 -0.19 -0.04 0.00 -0.13 0.00 0.00 59.36 58.99 3fbf h GLU 26 Cb 1.20 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.42 3fbf h GLU 26 CO 0.11 0.82 -0.20 0.87 -0.73 0.00 0.00 179.01 179.88 3fbf h LYS 27 N 0.88 0.00 -0.40 1.92 1.79 -0.95 -2.07 116.57 117.74 3fbf h LYS 27 Ca 0.21 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.68 3fbf h LYS 27 Cb 0.24 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.89 3fbf h LYS 27 CO -0.01 0.20 0.00 1.17 -1.08 0.00 0.00 179.45 179.73 3fbf n LYS 28 N -3.66 1.72 -2.67 3.15 4.81 -1.15 -4.90 118.16 115.45 3fbf n LYS 28 Ca -0.01 -0.87 -0.10 0.00 -0.87 0.00 0.00 58.31 56.45 3fbf n LYS 28 Cb 0.33 -1.33 0.02 0.00 0.02 0.00 0.00 35.03 34.07 3fbf n LYS 28 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 3fbf n ASN 29 N 0.18 -3.70 -4.90 3.14 4.05 -0.78 -5.05 115.26 108.20 3fbf n ASN 29 Ca 0.08 -0.15 -0.33 0.00 0.45 0.00 0.00 54.58 54.63 3fbf n ASN 29 Cb 0.29 -2.54 -0.05 0.00 1.23 0.00 0.00 39.78 38.71 3fbf n ASN 29 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 177.26 173.85 3fbf s PHE 30 N -2.88 3.55 -0.07 1.20 0.40 -1.16 -4.87 117.98 114.15 3fbf s PHE 30 Ca 0.16 0.39 0.03 0.00 -0.60 0.00 0.00 56.93 56.91 3fbf s PHE 30 Cb -0.07 -1.85 -0.02 0.00 0.51 0.00 0.00 43.02 41.58 3fbf s PHE 30 CO 0.20 0.63 -0.16 0.15 0.70 0.00 0.00 175.22 176.73 3fbf s LYS 31 N -2.01 2.76 0.17 0.44 -0.14 -0.58 -4.54 119.74 115.84 3fbf s LYS 31 Ca 0.29 -0.73 -0.30 0.00 -1.36 0.00 0.00 55.97 53.86 3fbf s LYS 31 Cb -0.13 -2.41 -0.08 0.00 -1.68 0.00 0.00 37.83 33.53 3fbf s LYS 31 CO 0.20 0.46 1.29 0.42 -0.76 0.00 0.00 175.35 176.95 3fbf s ILE 32 N -0.32 3.38 -0.05 2.17 1.01 -1.26 -1.03 121.20 125.11 3fbf s ILE 32 Ca 0.02 1.10 0.00 0.00 0.00 0.00 0.00 60.65 61.78 3fbf s ILE 32 Cb -0.13 -3.71 -0.03 0.00 0.01 0.00 0.00 42.46 38.61 3fbf s ILE 32 CO 0.02 0.15 -0.05 0.52 0.00 0.00 0.00 174.94 175.59 3fbf n VAL 33 N 2.93 0.29 -3.97 2.92 0.31 0.18 -4.94 118.33 116.05 3fbf n VAL 33 Ca 0.07 -0.11 -0.09 0.00 -0.01 0.00 0.00 64.34 64.20 3fbf n VAL 33 Cb 0.43 -0.77 -0.10 0.00 -0.91 0.00 0.00 33.84 32.49 3fbf n VAL 33 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 3fbf s SER 34 N -4.58 0.24 -0.15 4.52 0.01 -1.21 -4.99 113.70 107.53 3fbf s SER 34 Ca -0.07 -0.54 -0.14 0.00 1.31 0.00 0.00 55.95 56.52 3fbf s SER 34 Cb 0.02 0.14 0.04 0.00 0.21 0.00 0.00 66.02 66.43 3fbf s SER 34 CO 0.11 -0.38 0.41 -0.32 0.41 0.00 0.00 173.24 173.47 3fbf s MET 35 N -1.95 0.47 -0.01 12.44 0.00 -1.26 -0.87 119.30 128.12 3fbf s MET 35 Ca -0.11 0.58 0.02 0.00 0.00 0.00 0.00 55.69 56.18 3fbf s MET 35 Cb -0.06 0.21 -0.00 0.00 0.00 0.00 0.00 34.83 34.98 3fbf s MET 35 CO -0.02 -0.06 -0.06 0.15 0.00 0.00 0.00 175.02 175.02 3fbf s LYS 36 N 0.31 0.53 -0.27 4.11 1.02 -0.61 -5.02 119.74 119.82 3fbf s LYS 36 Ca -0.01 -0.21 -0.12 0.00 0.02 0.00 0.00 55.97 55.65 3fbf s LYS 36 Cb -0.03 -0.52 -0.05 0.00 -0.52 0.00 0.00 37.83 36.71 3fbf s LYS 36 CO -0.01 0.12 0.22 0.12 -0.92 0.00 0.00 175.35 174.88 3fbf s PHE 37 N -0.06 3.25 -0.31 3.18 5.36 -1.26 -2.00 117.98 126.13 3fbf s PHE 37 Ca 0.01 0.21 -0.08 0.00 -0.96 0.00 0.00 56.93 56.11 3fbf s PHE 37 Cb -0.03 -2.39 0.01 0.00 -0.34 0.00 0.00 43.02 40.26 3fbf s PHE 37 CO -0.00 -0.12 0.11 -1.58 -1.46 0.00 0.00 175.22 172.17 3fbf s TRP 38 N 1.65 3.18 0.33 10.12 0.52 -0.09 -4.97 118.94 129.69 3fbf s TRP 38 Ca 0.09 -0.94 0.06 0.00 0.02 0.00 0.00 56.10 55.33 3fbf s TRP 38 Cb -0.15 -2.30 0.60 0.00 -1.15 0.00 0.00 33.47 30.46 3fbf s TRP 38 CO 0.09 -0.58 1.84 0.66 0.02 0.00 0.00 176.95 178.98 3fbf h SER 39 N 8.28 0.39 -3.19 2.95 4.64 -1.91 0.59 113.55 125.30 3fbf h SER 39 Ca -0.30 -0.10 -0.07 0.00 -0.47 0.00 0.00 61.79 60.85 3fbf h SER 39 Cb 1.12 -0.10 -0.25 0.00 -0.31 0.00 0.00 62.40 62.86 3fbf h SER 39 CO 0.61 0.56 -0.19 -0.75 -0.87 0.00 0.00 176.83 176.19 3fbf s LYS 40 N -4.72 0.51 0.12 4.77 2.20 -1.26 -2.63 119.74 118.72 3fbf s LYS 40 Ca -0.06 0.93 -0.16 0.00 -0.36 0.00 0.00 55.97 56.31 3fbf s LYS 40 Cb 0.15 0.05 -0.07 0.00 -1.51 0.00 0.00 37.83 36.45 3fbf s LYS 40 CO 0.76 -0.15 0.55 0.00 -0.36 0.00 0.00 175.35 176.15 3fbf s ALA 41 N 1.42 3.59 0.14 3.13 0.00 -1.26 -5.02 121.76 123.75 3fbf s ALA 41 Ca -0.09 -0.08 -0.33 0.00 0.00 0.00 0.00 51.96 51.46 3fbf s ALA 41 Cb -0.07 -2.55 -0.13 0.00 0.00 0.00 0.00 23.12 20.37 3fbf s ALA 41 CO -0.14 0.44 1.69 -2.30 0.00 0.00 0.00 175.76 175.45 3fbf n PRO 42 N 1.15 2.44 -0.06 0.00 -0.02 -1.26 -4.82 135.00 132.43 3fbf n PRO 42 Ca -0.07 0.88 0.19 0.00 -2.02 0.00 0.00 63.50 62.48 3fbf n PRO 42 Cb 0.51 -2.70 0.63 0.00 -0.02 0.00 0.00 33.50 31.93 3fbf n PRO 42 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3fbf h ARG 43 N 6.93 0.13 -0.04 -0.52 2.43 -1.97 -1.16 114.38 120.17 3fbf h ARG 43 Ca -0.45 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 58.74 3fbf h ARG 43 Cb 1.24 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 30.70 3fbf h ARG 43 CO 0.92 0.08 -0.49 -0.97 -1.51 0.00 0.00 179.97 178.01 3fbf h ASN 44 N 0.13 -1.50 -0.90 -3.80 -0.00 -2.00 -1.26 115.58 106.25 3fbf h ASN 44 Ca 0.30 0.18 0.09 0.00 -0.00 0.00 0.00 56.30 56.87 3fbf h ASN 44 Cb 1.01 0.58 -0.07 0.00 -0.00 0.00 0.00 38.32 39.84 3fbf h ASN 44 CO -0.04 -0.49 0.54 -0.07 -0.00 0.00 0.00 177.43 177.38 3fbf h LEU 45 N -0.60 0.80 -0.12 0.34 4.07 -1.59 -1.64 115.31 116.57 3fbf h LEU 45 Ca 0.04 0.04 -0.01 0.00 0.08 0.00 0.00 57.88 58.03 3fbf h LEU 45 Cb 0.69 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 42.30 3fbf h LEU 45 CO -0.37 0.46 0.06 0.40 -1.08 0.00 0.00 178.44 177.91 3fbf h ILE 46 N 0.91 1.13 -0.33 1.22 1.08 -1.26 0.81 117.51 121.07 3fbf h ILE 46 Ca 0.43 -0.38 -0.04 0.00 -0.39 0.00 0.00 64.86 64.47 3fbf h ILE 46 Cb 0.35 1.16 -0.02 0.00 -3.07 0.00 0.00 36.82 35.24 3fbf h ILE 46 CO -0.23 0.12 0.02 -0.33 -0.69 0.00 0.00 178.15 177.04 3fbf h GLU 47 N 0.06 0.50 0.55 2.37 5.08 -0.77 0.34 114.58 122.71 3fbf h GLU 47 Ca 0.04 -0.10 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 3fbf h GLU 47 Cb 0.14 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.31 3fbf h GLU 47 CO -0.00 0.51 -0.26 1.96 -1.00 0.00 0.00 179.01 180.21 3fbf h GLN 48 N 0.48 -0.71 -0.97 2.33 4.20 -1.04 0.11 115.11 119.51 3fbf h GLN 48 Ca 0.11 0.05 0.22 0.00 0.06 0.00 0.00 58.65 59.09 3fbf h GLN 48 Cb 0.28 0.16 -0.12 0.00 0.30 0.00 0.00 27.48 28.10 3fbf h GLN 48 CO 0.01 -0.41 0.55 1.25 -0.67 0.00 0.00 178.83 179.55 3fbf h HIS 49 N -0.96 0.93 -0.60 2.96 2.76 0.04 0.05 115.15 120.33 3fbf h HIS 49 Ca -0.08 0.04 -0.26 0.00 -2.20 0.00 0.00 60.37 57.87 3fbf h HIS 49 Cb 0.63 -0.26 -0.16 0.00 1.55 0.00 0.00 27.41 29.17 3fbf h HIS 49 CO -0.00 0.08 0.21 0.66 -1.30 0.00 0.00 177.93 177.58 3fbf n TYR 50 N -4.90 1.91 -0.25 5.26 4.02 0.11 -4.71 117.16 118.62 3fbf n TYR 50 Ca 0.25 -1.51 0.03 0.00 -0.01 0.00 0.00 57.90 56.65 3fbf n TYR 50 Cb 0.67 -0.64 0.26 0.00 -0.02 0.00 0.00 39.34 39.61 3fbf n TYR 50 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 176.86 177.42 3fbf h LYS 51 N 1.42 0.96 0.00 -0.72 2.10 0.13 -0.23 116.57 120.23 3fbf h LYS 51 Ca 0.33 -0.06 0.00 0.00 -2.00 0.00 0.00 60.65 58.92 3fbf h LYS 51 Cb 2.12 -0.22 0.00 0.00 -0.90 0.00 0.00 32.23 33.24 3fbf h LYS 51 CO 0.65 0.63 0.00 0.39 -2.00 0.00 0.00 179.45 179.12 3fbf n GLU 52 N -4.45 0.09 -0.26 0.07 1.02 -1.26 -1.43 120.64 114.40 3fbf n GLU 52 Ca 0.11 0.52 0.08 0.00 -0.02 0.00 0.00 57.16 57.85 3fbf n GLU 52 Cb 0.13 -1.75 0.22 0.00 -0.02 0.00 0.00 31.44 30.02 3fbf n GLU 52 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3fbf n HIS 53 N -1.93 0.68 0.19 -0.32 8.25 -0.10 -4.66 115.22 117.34 3fbf n HIS 53 Ca 0.00 -0.51 0.12 0.00 -0.26 0.00 0.00 57.72 57.07 3fbf n HIS 53 Cb 0.07 -0.03 0.64 0.00 1.12 0.00 0.00 29.99 31.78 3fbf n HIS 53 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3fbf h SER 54 N 2.85 0.00 -0.44 0.41 4.64 -1.26 -2.47 113.55 117.27 3fbf h SER 54 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3fbf h SER 54 Cb 0.86 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.95 3fbf h SER 54 CO 0.01 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.35 3fbf n GLU 55 N -2.33 3.41 -4.02 4.77 4.71 -1.26 -4.95 120.64 120.98 3fbf n GLU 55 Ca -0.01 -2.73 -0.26 0.00 -0.01 0.00 0.00 57.16 54.14 3fbf n GLU 55 Cb 0.05 -1.79 -0.04 0.00 -1.01 0.00 0.00 31.44 28.65 3fbf n GLU 55 CO 0.00 0.00 0.00 -0.65 0.09 0.00 0.00 177.13 176.57 3fbf s GLN 56 N -2.12 3.16 0.24 3.49 -1.52 -0.93 -5.00 119.66 116.98 3fbf s GLN 56 Ca 0.42 -0.74 -0.05 0.00 -1.95 0.00 0.00 55.36 53.05 3fbf s GLN 56 Cb 0.30 -2.80 0.44 0.00 -0.22 0.00 0.00 33.01 30.73 3fbf s GLN 56 CO 0.16 0.50 1.72 0.66 -0.25 0.00 0.00 175.29 178.09 3fbf h SER 57 N 2.28 0.22 0.57 5.90 4.64 -1.94 -2.34 113.55 122.89 3fbf h SER 57 Ca -0.48 0.11 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 3fbf h SER 57 Cb 1.20 0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 3fbf h SER 57 CO 0.66 0.08 0.00 0.00 -0.87 0.00 0.00 176.83 176.70 3fbf n TYR 58 N -5.03 0.00 -0.19 4.77 0.18 -1.26 -4.24 117.16 111.39 3fbf n TYR 58 Ca 0.14 0.00 -0.00 0.00 1.88 0.00 0.00 57.90 59.91 3fbf n TYR 58 Cb 0.41 -0.40 0.09 0.00 -0.38 0.00 0.00 39.34 39.07 3fbf n TYR 58 CO 0.00 0.00 0.00 0.35 -2.08 0.00 0.00 176.86 175.13 3fbf h PHE 59 N 0.00 0.16 -0.03 -3.48 3.04 -1.66 -0.54 116.94 114.42 3fbf h PHE 59 Ca 0.00 0.04 -0.24 0.00 3.98 0.00 0.00 57.97 61.74 3fbf h PHE 59 Cb 0.29 0.02 0.01 0.00 2.56 0.00 0.00 35.95 38.83 3fbf h PHE 59 CO 0.00 -0.04 -0.96 -0.91 -2.02 0.00 0.00 178.31 174.38 3fbf h ASN 60 N 0.23 0.79 -0.75 0.41 2.35 -1.82 -2.37 115.58 114.42 3fbf h ASN 60 Ca 0.30 -0.60 -0.02 0.00 -0.55 0.00 0.00 56.30 55.42 3fbf h ASN 60 Cb 0.43 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 38.53 3fbf h ASN 60 CO -0.40 1.40 0.39 0.44 -1.65 0.00 0.00 177.43 177.62 3fbf h ASP 61 N 0.36 0.96 0.57 5.81 3.32 -1.80 -0.17 116.42 125.47 3fbf h ASP 61 Ca -0.10 -0.09 -0.02 0.00 0.02 0.00 0.00 57.03 56.84 3fbf h ASP 61 Cb 1.60 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.89 3fbf h ASP 61 CO 0.18 0.80 -0.45 0.25 -1.72 0.00 0.00 179.24 178.30 3fbf h LEU 62 N 1.07 -1.20 -0.79 1.55 5.85 -0.96 -1.22 115.31 119.61 3fbf h LEU 62 Ca 0.27 0.09 0.04 0.00 0.84 0.00 0.00 57.88 59.11 3fbf h LEU 62 Cb 0.07 0.38 -0.05 0.00 0.37 0.00 0.00 40.66 41.43 3fbf h LEU 62 CO -0.04 -0.65 0.49 0.00 -0.34 0.00 0.00 178.44 177.91 3fbf h ASP 64 N 0.93 -0.76 -0.42 0.00 3.32 -0.73 -1.71 116.42 117.06 3fbf h ASP 64 Ca 0.33 0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.50 3fbf h ASP 64 Cb 0.08 0.35 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 3fbf h ASP 64 CO -0.14 -0.28 0.23 0.15 -1.72 0.00 0.00 179.24 177.48 3fbf h PHE 65 N -0.26 0.58 0.00 4.55 3.04 -0.92 -2.61 116.94 121.32 3fbf h PHE 65 Ca 0.13 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.06 3fbf h PHE 65 Cb 0.45 -0.18 0.00 0.00 2.56 0.00 0.00 35.95 38.78 3fbf h PHE 65 CO -0.38 0.45 0.00 0.52 -2.02 0.00 0.00 178.31 176.88 3fbf h MET 66 N 0.54 0.00 -0.34 1.11 2.86 -0.30 0.74 114.93 119.54 3fbf h MET 66 Ca 0.15 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 3fbf h MET 66 Cb 0.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.72 3fbf h MET 66 CO -0.02 0.00 0.00 1.33 1.06 0.00 0.00 176.91 179.28 3fbf n VAL 67 N -2.91 1.54 1.38 -2.22 0.24 -0.71 -4.60 118.33 111.06 3fbf n VAL 67 Ca -0.02 -1.34 0.14 0.00 -2.04 0.00 0.00 64.34 61.08 3fbf n VAL 67 Cb 0.10 0.19 0.60 0.00 -1.47 0.00 0.00 33.84 33.26 3fbf n VAL 67 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3fbf n SER 68 N 0.18 0.47 -1.61 -1.34 3.41 0.25 -4.81 113.62 110.17 3fbf n SER 68 Ca 0.16 -0.54 0.00 0.00 -0.26 0.00 0.00 58.87 58.23 3fbf n SER 68 Cb 0.63 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.51 3fbf n SER 68 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fbf n GLY 69 N 1.29 0.78 3.68 5.00 0.00 -1.26 -5.08 105.19 109.60 3fbf n GLY 69 Ca 0.14 -0.92 -0.30 0.00 0.00 0.00 0.00 46.02 44.93 3fbf n GLY 69 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3fbf s PRO 70 N -2.01 1.06 0.04 1.61 0.02 -1.08 -4.50 135.00 130.14 3fbf s PRO 70 Ca 0.06 1.27 -0.06 0.00 0.02 0.00 0.00 61.00 62.30 3fbf s PRO 70 Cb -0.00 -1.75 -0.01 0.00 0.02 0.00 0.00 34.50 32.76 3fbf s PRO 70 CO 0.00 -2.51 0.11 0.96 -0.33 0.00 0.00 177.00 175.23 3fbf s ILE 71 N -2.72 0.13 -0.11 2.83 -5.25 0.20 -3.20 121.20 113.08 3fbf s ILE 71 Ca 0.65 -1.09 0.03 0.00 -0.99 0.00 0.00 60.65 59.26 3fbf s ILE 71 Cb -0.21 -0.92 -0.00 0.00 2.95 0.00 0.00 42.46 44.27 3fbf s ILE 71 CO 0.58 -0.60 -0.22 -0.63 -1.79 0.00 0.00 174.94 172.29 3fbf s ILE 72 N -2.67 2.24 -0.19 8.37 1.01 -1.03 -0.92 121.20 128.01 3fbf s ILE 72 Ca -0.04 -0.95 -0.08 0.00 0.00 0.00 0.00 60.65 59.58 3fbf s ILE 72 Cb -0.01 -1.88 -0.04 0.00 0.01 0.00 0.00 42.46 40.54 3fbf s ILE 72 CO -0.05 0.55 0.08 -0.94 0.00 0.00 0.00 174.94 174.58 3fbf s SER 73 N 0.41 5.68 -0.02 3.58 1.04 -0.85 -0.39 113.70 123.15 3fbf s SER 73 Ca -0.16 0.07 0.04 0.00 0.48 0.00 0.00 55.95 56.39 3fbf s SER 73 Cb -0.17 -1.98 -0.01 0.00 0.10 0.00 0.00 66.02 63.96 3fbf s SER 73 CO 0.07 0.15 -0.15 -0.63 0.98 0.00 0.00 173.24 173.66 3fbf s ILE 74 N 0.52 1.24 -0.29 -1.02 1.01 0.62 -1.58 121.20 121.70 3fbf s ILE 74 Ca 0.04 -0.64 -0.11 0.00 0.00 0.00 0.00 60.65 59.94 3fbf s ILE 74 Cb -0.13 -1.05 -0.04 0.00 0.01 0.00 0.00 42.46 41.25 3fbf s ILE 74 CO 0.01 0.36 0.19 -0.69 0.00 0.00 0.00 174.94 174.80 3fbf s VAL 75 N -0.14 5.17 0.19 2.92 1.01 -0.05 -0.25 120.40 129.26 3fbf s VAL 75 Ca 0.01 0.03 0.04 0.00 0.00 0.00 0.00 61.98 62.07 3fbf s VAL 75 Cb -0.08 -3.51 -0.03 0.00 0.00 0.00 0.00 36.38 32.75 3fbf s VAL 75 CO 0.01 0.20 0.27 -0.31 0.00 0.00 0.00 175.10 175.26 3fbf s TYR 76 N 1.73 3.36 -0.06 5.22 1.51 -0.33 -0.65 117.35 128.15 3fbf s TYR 76 Ca 0.07 0.02 -0.03 0.00 -1.01 0.00 0.00 57.07 56.12 3fbf s TYR 76 Cb -0.16 -1.58 0.03 0.00 -0.11 0.00 0.00 41.96 40.14 3fbf s TYR 76 CO 0.10 0.50 0.13 -2.00 -1.11 0.00 0.00 175.55 173.17 3fbf s GLU 77 N -3.51 0.11 0.00 -0.62 2.12 -0.19 -1.55 118.70 115.06 3fbf s GLU 77 Ca 0.33 0.28 0.00 0.00 0.36 0.00 0.00 54.97 55.94 3fbf s GLU 77 Cb -0.10 -0.08 0.00 0.00 0.26 0.00 0.00 34.13 34.21 3fbf s GLU 77 CO 0.27 -0.10 0.00 0.41 -0.54 0.00 0.00 175.26 175.30 3fbf n GLY 78 N 3.72 -0.12 3.69 -1.50 0.00 -0.94 -1.53 105.19 108.51 3fbf n GLY 78 Ca -0.21 -0.96 -0.42 0.00 0.00 0.00 0.00 46.02 44.43 3fbf n GLY 78 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fbf s THR 79 N -2.00 2.47 -1.47 2.61 2.01 -1.26 -2.03 115.64 115.97 3fbf s THR 79 Ca 0.00 0.04 -0.08 0.00 0.31 0.00 0.00 61.69 61.96 3fbf s THR 79 Cb 0.00 -3.02 0.02 0.00 0.01 0.00 0.00 72.50 69.51 3fbf s THR 79 CO 0.00 0.00 0.85 -0.67 -0.69 0.00 0.00 174.62 174.11 3fbf n ASP 80 N 5.50 -5.90 -0.25 3.53 2.03 -1.26 -4.86 116.55 115.34 3fbf n ASP 80 Ca 0.18 -0.44 -0.03 0.00 0.52 0.00 0.00 54.79 55.01 3fbf n ASP 80 Cb 0.38 -4.72 0.14 0.00 -0.72 0.00 0.00 41.12 36.20 3fbf n ASP 80 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3fbf h ALA 81 N 1.01 1.20 0.33 -1.67 0.00 -1.74 -2.13 119.26 116.25 3fbf h ALA 81 Ca -0.54 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.20 3fbf h ALA 81 Cb 1.36 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3fbf h ALA 81 CO 0.58 0.61 -0.16 0.82 0.00 0.00 0.00 179.25 181.10 3fbf h ILE 82 N 1.08 0.70 0.03 0.00 2.04 -1.88 -1.35 117.51 118.13 3fbf h ILE 82 Ca 0.26 -0.19 -0.21 0.00 1.00 0.00 0.00 64.86 65.72 3fbf h ILE 82 Cb 0.12 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 3fbf h ILE 82 CO -0.03 0.04 -0.99 0.77 0.00 0.00 0.00 178.15 177.94 3fbf h SER 83 N -0.54 0.15 -0.32 1.72 4.64 -1.86 -2.55 113.55 114.78 3fbf h SER 83 Ca -0.04 -0.14 -0.08 0.00 -0.47 0.00 0.00 61.79 61.05 3fbf h SER 83 Cb 0.40 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.43 3fbf h SER 83 CO 0.07 1.04 -0.11 0.11 -0.87 0.00 0.00 176.83 177.08 3fbf h LYS 84 N 0.04 0.64 0.00 4.77 1.79 -1.38 0.21 116.57 122.65 3fbf h LYS 84 Ca -0.04 -0.26 -0.06 0.00 -2.18 0.00 0.00 60.65 58.11 3fbf h LYS 84 Cb 1.69 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 32.30 3fbf h LYS 84 CO 0.14 0.84 -0.30 0.82 -1.08 0.00 0.00 179.45 179.87 3fbf h ILE 85 N 0.41 0.76 -0.24 1.86 2.04 -1.31 -0.34 117.51 120.69 3fbf h ILE 85 Ca 0.08 -1.26 -0.11 0.00 1.00 0.00 0.00 64.86 64.57 3fbf h ILE 85 Cb 0.62 1.79 -0.00 0.00 -0.74 0.00 0.00 36.82 38.49 3fbf h ILE 85 CO 0.04 0.29 -0.28 -0.09 0.00 0.00 0.00 178.15 178.11 3fbf h ARG 86 N 0.00 0.61 -0.38 2.37 1.12 -1.19 -0.98 114.38 115.93 3fbf h ARG 86 Ca -0.00 -0.34 -0.06 0.00 -1.11 0.00 0.00 59.98 58.47 3fbf h ARG 86 Cb 0.77 0.02 -0.02 0.00 -0.01 0.00 0.00 29.97 30.73 3fbf h ARG 86 CO 0.04 0.94 -0.01 0.00 -3.11 0.00 0.00 179.97 177.82 3fbf h ARG 87 N 0.31 0.61 -0.50 0.20 3.08 -0.55 -2.23 114.38 115.31 3fbf h ARG 87 Ca 0.03 -0.15 -0.05 0.00 0.07 0.00 0.00 59.98 59.89 3fbf h ARG 87 Cb 0.85 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.80 3fbf h ARG 87 CO 0.07 0.64 0.13 1.25 -1.07 0.00 0.00 179.97 180.99 3fbf h LEU 88 N 0.58 0.75 -0.35 3.04 5.85 -0.93 -2.96 115.31 121.28 3fbf h LEU 88 Ca 0.12 -0.23 0.02 0.00 0.84 0.00 0.00 57.88 58.63 3fbf h LEU 88 Cb 0.39 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 3fbf h LEU 88 CO 0.01 0.78 0.20 -0.61 -0.34 0.00 0.00 178.44 178.48 3fbf h GLN 89 N 0.68 0.40 0.00 1.25 4.15 -0.86 0.05 115.11 120.77 3fbf h GLN 89 Ca 0.16 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.55 3fbf h GLN 89 Cb 0.32 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 27.92 3fbf h GLN 89 CO -0.00 0.26 0.00 0.41 -1.93 0.00 0.00 178.83 177.57 3fbf n GLY 90 N -1.20 1.31 3.46 2.39 0.00 -0.87 -1.47 105.19 108.81 3fbf n GLY 90 Ca 0.00 -0.59 -0.09 0.00 0.00 0.00 0.00 46.02 45.34 3fbf n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fbf s ASN 91 N -4.00 -0.08 0.00 1.61 2.20 -1.26 -4.80 114.94 108.62 3fbf s ASN 91 Ca 0.00 -0.79 0.11 0.00 -0.94 0.00 0.00 52.86 51.24 3fbf s ASN 91 Cb 0.00 0.52 0.59 0.00 -2.00 0.00 0.00 41.25 40.35 3fbf s ASN 91 CO 0.00 -1.01 1.16 2.30 -2.94 0.00 0.00 177.10 176.61 3fbf n ILE 92 N -0.30 0.39 -0.07 0.54 -5.35 -1.26 -1.98 119.36 111.32 3fbf n ILE 92 Ca -0.06 0.10 -0.07 0.00 -0.27 0.00 0.00 62.75 62.44 3fbf n ILE 92 Cb 0.63 -0.93 -0.15 0.00 -1.74 0.00 0.00 39.64 37.44 3fbf n ILE 92 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3fbf n LEU 93 N -1.15 0.16 -4.32 7.28 4.77 -1.26 -4.69 117.00 117.79 3fbf n LEU 93 Ca 0.06 0.07 -0.46 0.00 -0.03 0.00 0.00 56.01 55.66 3fbf n LEU 93 Cb 0.06 0.38 -0.05 0.00 -2.33 0.00 0.00 43.42 41.49 3fbf n LEU 93 CO 0.07 0.41 0.20 -0.89 -1.33 0.00 0.00 177.39 175.86 3fbf s THR 94 N -2.63 5.14 0.69 -5.08 2.01 -0.84 -5.01 115.64 109.92 3fbf s THR 94 Ca -0.09 -1.42 -0.16 0.00 0.31 0.00 0.00 61.69 60.34 3fbf s THR 94 Cb 0.07 -4.38 0.02 0.00 0.01 0.00 0.00 72.50 68.22 3fbf s THR 94 CO 0.84 -0.93 1.19 -2.84 -0.69 0.00 0.00 174.62 172.19 3fbf s PRO 95 N 1.79 2.42 0.00 4.92 0.02 -1.26 -3.14 135.00 139.76 3fbf s PRO 95 Ca 0.05 1.71 0.00 0.00 0.02 0.00 0.00 61.00 62.79 3fbf s PRO 95 Cb -0.28 -1.87 0.00 0.00 0.02 0.00 0.00 34.50 32.36 3fbf s PRO 95 CO 0.03 -1.61 0.00 0.41 -0.33 0.00 0.00 177.00 175.51 3fbf n GLY 96 N 0.26 2.64 3.96 0.52 0.00 -1.26 -4.93 105.19 106.37 3fbf n GLY 96 Ca 0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.91 3fbf n GLY 96 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3fbf s THR 97 N -2.67 2.37 0.04 2.61 -4.23 -1.19 -4.91 115.64 107.67 3fbf s THR 97 Ca 0.00 -0.46 -0.27 0.00 -1.18 0.00 0.00 61.69 59.78 3fbf s THR 97 Cb 0.00 -2.92 -0.17 0.00 1.34 0.00 0.00 72.50 70.75 3fbf s THR 97 CO 0.00 0.00 1.44 0.40 -0.54 0.00 0.00 174.62 175.92 3fbf h ILE 98 N -0.40 0.62 -0.72 2.99 2.04 -0.98 -0.59 117.51 120.47 3fbf h ILE 98 Ca -0.42 -0.31 -0.05 0.00 1.00 0.00 0.00 64.86 65.08 3fbf h ILE 98 Cb 1.30 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 38.12 3fbf h ILE 98 CO 0.53 0.06 0.26 0.03 0.00 0.00 0.00 178.15 179.03 3fbf h ARG 99 N -0.70 1.09 -0.16 2.37 3.08 -1.50 -0.60 114.38 117.98 3fbf h ARG 99 Ca -0.05 -0.20 -0.03 0.00 0.07 0.00 0.00 59.98 59.76 3fbf h ARG 99 Cb 0.49 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 3fbf h ARG 99 CO 0.09 0.90 -0.04 0.78 -1.07 0.00 0.00 179.97 180.63 3fbf h GLY 100 N 1.10 0.24 0.85 0.04 0.00 -1.27 0.08 103.07 104.12 3fbf h GLY 100 Ca 0.24 -0.13 -0.31 0.00 0.00 0.00 0.00 47.33 47.13 3fbf h GLY 100 CO -0.02 0.12 -1.80 1.22 0.00 0.00 0.00 176.54 176.06 3fbf n ASP 101 N -4.36 1.11 0.00 0.19 8.00 -0.24 -4.36 116.55 116.89 3fbf n ASP 101 Ca -0.01 0.35 0.00 0.00 0.71 0.00 0.00 54.79 55.85 3fbf n ASP 101 Cb 0.20 -0.19 0.00 0.00 -0.02 0.00 0.00 41.12 41.11 3fbf n ASP 101 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3fbf n LEU 102 N -3.12 0.00 -4.40 0.64 4.77 -0.25 -5.05 117.00 109.58 3fbf n LEU 102 Ca -0.21 -0.36 -0.30 0.00 -0.03 0.00 0.00 56.01 55.11 3fbf n LEU 102 Cb 1.06 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 42.01 3fbf n LEU 102 CO 0.44 0.00 -0.55 0.00 -1.33 0.00 0.00 177.39 175.95 3fbf s ALA 103 N -1.14 2.41 -0.02 -1.18 0.00 0.01 -5.02 121.76 116.82 3fbf s ALA 103 Ca 0.00 -1.35 0.03 0.00 0.00 0.00 0.00 51.96 50.64 3fbf s ALA 103 Cb 0.00 -0.50 0.04 0.00 0.00 0.00 0.00 23.12 22.66 3fbf s ALA 103 CO 0.00 0.55 0.88 -1.71 0.00 0.00 0.00 175.76 175.48 3fbf n ASN 104 N 1.28 0.56 -4.15 0.00 5.15 -1.26 -4.68 115.26 112.16 3fbf n ASN 104 Ca -0.17 -1.88 -0.15 0.00 -0.60 0.00 0.00 54.58 51.79 3fbf n ASN 104 Cb 0.52 -0.16 -0.11 0.00 -0.53 0.00 0.00 39.78 39.51 3fbf n ASN 104 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3fbf s ASP 105 N -1.00 1.37 0.42 1.20 -1.08 -1.26 -5.04 116.67 111.28 3fbf s ASP 105 Ca 0.05 -0.74 0.25 0.00 -0.52 0.00 0.00 52.55 51.58 3fbf s ASP 105 Cb 0.04 0.01 0.53 0.00 -1.46 0.00 0.00 42.92 42.04 3fbf s ASP 105 CO 0.00 -0.23 1.67 0.16 0.52 0.00 0.00 175.17 177.30 3fbf h ILE 106 N 3.82 0.00 0.00 4.11 3.07 -2.02 -3.39 117.51 123.10 3fbf h ILE 106 Ca -0.37 -0.87 -0.08 0.00 1.55 0.00 0.00 64.86 65.09 3fbf h ILE 106 Cb 1.19 1.86 -0.01 0.00 -0.27 0.00 0.00 36.82 39.59 3fbf h ILE 106 CO 0.49 0.00 -0.97 -1.14 -1.05 0.00 0.00 178.15 175.48 3fbf n ARG 107 N -2.98 0.34 -2.53 0.16 0.63 -1.26 -4.84 116.66 106.17 3fbf n ARG 107 Ca 0.04 0.14 -0.40 0.00 -0.92 0.00 0.00 57.85 56.70 3fbf n ARG 107 Cb 0.49 -1.09 -0.03 0.00 0.45 0.00 0.00 32.46 32.28 3fbf n ARG 107 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 3fbf s GLU 108 N -2.50 3.53 -0.10 -0.14 2.02 -1.26 -4.74 118.70 115.52 3fbf s GLU 108 Ca -0.20 -1.07 0.14 0.00 0.02 0.00 0.00 54.97 53.87 3fbf s GLU 108 Cb 0.04 -5.34 0.29 0.00 0.10 0.00 0.00 34.13 29.23 3fbf s GLU 108 CO 0.28 -2.27 1.14 0.27 0.02 0.00 0.00 175.26 174.69 3fbf n ASN 109 N 9.17 1.40 0.00 -0.19 0.23 -1.26 -4.05 115.26 120.56 3fbf n ASN 109 Ca 0.33 -2.87 0.00 0.00 -0.53 0.00 0.00 54.58 51.51 3fbf n ASN 109 Cb 0.51 -0.38 0.00 0.00 -2.08 0.00 0.00 39.78 37.82 3fbf n ASN 109 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 3fbf n LEU 110 N -0.66 0.00 -3.75 -4.53 4.77 -1.26 -4.78 117.00 106.79 3fbf n LEU 110 Ca 0.11 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.96 3fbf n LEU 110 Cb 0.77 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.76 3fbf n LEU 110 CO -0.02 0.00 0.03 -0.51 -1.33 0.00 0.00 177.39 175.57 3fbf s ILE 111 N 0.00 0.02 -0.07 -0.08 2.07 -1.26 -0.77 121.20 121.11 3fbf s ILE 111 Ca 0.00 -0.12 0.04 0.00 -1.41 0.00 0.00 60.65 59.16 3fbf s ILE 111 Cb 0.00 -0.54 -0.02 0.00 0.13 0.00 0.00 42.46 42.03 3fbf s ILE 111 CO 0.00 -0.07 -0.19 -2.28 -1.91 0.00 0.00 174.94 170.49 3fbf s HIS 112 N -0.23 2.59 -0.01 3.50 5.65 0.37 -4.95 115.29 122.21 3fbf s HIS 112 Ca -0.04 -0.54 0.04 0.00 0.25 0.00 0.00 55.06 54.77 3fbf s HIS 112 Cb -0.03 -1.66 -0.01 0.00 -1.18 0.00 0.00 32.58 29.70 3fbf s HIS 112 CO 0.02 -0.10 -0.13 0.00 -0.65 0.00 0.00 174.74 173.88 3fbf s ALA 113 N -0.23 1.12 0.48 1.58 0.00 -1.26 0.00 121.76 123.45 3fbf s ALA 113 Ca -0.01 -0.56 -0.23 0.00 0.00 0.00 0.00 51.96 51.17 3fbf s ALA 113 Cb -0.13 -0.31 -0.09 0.00 0.00 0.00 0.00 23.12 22.60 3fbf s ALA 113 CO 0.03 0.26 1.03 0.43 0.00 0.00 0.00 175.76 177.51 3fbf n SER 114 N 2.84 1.29 -0.42 0.00 7.64 -0.83 -4.93 113.62 119.21 3fbf n SER 114 Ca -0.15 0.97 0.05 0.00 1.01 0.00 0.00 58.87 60.76 3fbf n SER 114 Cb 0.55 -1.39 0.04 0.00 -1.01 0.00 0.00 64.21 62.41 3fbf n SER 114 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3fbf n ASP 115 N 0.07 1.87 -3.86 6.43 5.75 -1.26 -4.68 116.55 120.87 3fbf n ASP 115 Ca 0.10 -1.44 -0.08 0.00 -0.01 0.00 0.00 54.79 53.37 3fbf n ASP 115 Cb 0.42 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.48 3fbf n ASP 115 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 3fbf s SER 116 N -0.88 -0.24 0.28 -1.12 1.04 -1.26 -4.94 113.70 106.57 3fbf s SER 116 Ca 0.12 -0.63 -0.03 0.00 0.48 0.00 0.00 55.95 55.89 3fbf s SER 116 Cb 0.09 0.68 0.39 0.00 0.10 0.00 0.00 66.02 67.28 3fbf s SER 116 CO 0.13 -1.27 1.91 -0.33 0.98 0.00 0.00 173.24 174.66 3fbf h GLU 117 N 2.06 1.06 0.08 4.02 5.08 -1.96 -1.12 114.58 123.81 3fbf h GLU 117 Ca -0.22 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.03 3fbf h GLU 117 Cb 1.25 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.29 3fbf h GLU 117 CO 0.27 0.77 -0.04 -0.44 -1.00 0.00 0.00 179.01 178.57 3fbf h ASP 118 N 1.07 -0.09 -0.80 1.42 5.19 -1.99 -2.45 116.42 118.77 3fbf h ASP 118 Ca 0.27 -0.38 0.14 0.00 -0.62 0.00 0.00 57.03 56.45 3fbf h ASP 118 Cb 0.01 0.02 -0.09 0.00 0.18 0.00 0.00 39.33 39.45 3fbf h ASP 118 CO -0.05 0.34 0.37 0.28 -3.12 0.00 0.00 179.24 177.07 3fbf h SER 119 N -0.55 0.43 0.45 6.45 0.02 -1.93 -0.91 113.55 117.51 3fbf h SER 119 Ca -0.01 0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 61.01 3fbf h SER 119 Cb 0.46 0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.04 3fbf h SER 119 CO 0.02 0.18 -0.22 0.00 -1.14 0.00 0.00 176.83 175.67 3fbf h ALA 120 N 1.54 -0.61 -0.95 3.77 0.00 -1.22 0.22 119.26 122.01 3fbf h ALA 120 Ca 0.43 -0.16 0.14 0.00 0.00 0.00 0.00 54.91 55.32 3fbf h ALA 120 Cb 0.61 0.24 -0.08 0.00 0.00 0.00 0.00 17.79 18.55 3fbf h ALA 120 CO -0.37 -0.79 0.60 0.28 0.00 0.00 0.00 179.25 178.98 3fbf h VAL 121 N -0.72 0.86 0.04 0.00 2.07 -1.07 0.16 116.25 117.59 3fbf h VAL 121 Ca -0.06 -0.29 -0.22 0.00 0.82 0.00 0.00 66.70 66.95 3fbf h VAL 121 Cb 0.52 -0.04 0.02 0.00 -1.52 0.00 0.00 31.29 30.27 3fbf h VAL 121 CO 0.10 0.15 -0.88 -0.78 0.02 0.00 0.00 177.57 176.19 3fbf h ASP 122 N 0.83 0.70 -0.42 0.57 3.58 -0.91 -2.69 116.42 118.09 3fbf h ASP 122 Ca 0.48 -0.79 -0.11 0.00 0.42 0.00 0.00 57.03 57.03 3fbf h ASP 122 Cb 0.63 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.45 3fbf h ASP 122 CO -0.25 1.41 -0.18 -0.33 -2.88 0.00 0.00 179.24 177.01 3fbf h GLU 123 N 0.08 0.86 -0.45 0.28 5.08 -0.13 -1.69 114.58 118.61 3fbf h GLU 123 Ca -0.12 -0.37 0.06 0.00 -1.00 0.00 0.00 59.36 57.93 3fbf h GLU 123 Cb 1.58 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 30.75 3fbf h GLU 123 CO 0.17 1.01 0.15 0.82 -1.00 0.00 0.00 179.01 180.16 3fbf h ILE 124 N 0.68 0.85 -0.83 3.13 2.04 -0.78 -1.32 117.51 121.27 3fbf h ILE 124 Ca 0.09 -0.11 0.07 0.00 1.00 0.00 0.00 64.86 65.91 3fbf h ILE 124 Cb 0.74 0.50 -0.06 0.00 -0.74 0.00 0.00 36.82 37.26 3fbf h ILE 124 CO 0.06 0.06 0.50 0.28 0.00 0.00 0.00 178.15 179.05 3fbf h SER 125 N 0.32 0.78 0.14 1.72 0.02 -1.18 0.70 113.55 116.05 3fbf h SER 125 Ca 0.21 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.18 3fbf h SER 125 Cb 0.21 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.61 3fbf h SER 125 CO -0.22 0.49 -0.07 0.40 -1.14 0.00 0.00 176.83 176.29 3fbf h ILE 126 N 0.91 0.86 0.00 3.27 2.04 -0.56 -2.43 117.51 121.60 3fbf h ILE 126 Ca 0.37 -0.01 -0.09 0.00 1.00 0.00 0.00 64.86 66.12 3fbf h ILE 126 Cb 0.21 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 3fbf h ILE 126 CO -0.19 0.00 -0.79 -0.50 0.00 0.00 0.00 178.15 176.68 3fbf h TRP 127 N -0.20 0.00 -2.04 1.37 4.06 -0.85 -3.38 115.95 114.91 3fbf h TRP 127 Ca -0.02 0.00 -0.57 0.00 2.06 0.00 0.00 58.89 60.36 3fbf h TRP 127 Cb 0.15 0.00 -0.40 0.00 -1.00 0.00 0.00 29.16 27.92 3fbf h TRP 127 CO -0.07 0.37 -1.01 1.19 -3.56 0.00 0.00 178.44 175.36 3fbf n PHE 128 N -3.02 0.42 -0.10 0.49 3.72 0.24 -4.95 117.46 114.26 3fbf n PHE 128 Ca -0.02 -3.68 -0.05 0.00 -0.05 0.00 0.00 57.45 53.65 3fbf n PHE 128 Cb 0.71 -0.39 0.01 0.00 -0.94 0.00 0.00 39.48 38.87 3fbf n PHE 128 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3fbf h PRO 129 N 4.02 0.08 0.00 -1.08 0.13 -1.61 -3.40 132.00 130.13 3fbf h PRO 129 Ca 0.10 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 3fbf h PRO 129 Cb 0.84 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.95 3fbf h PRO 129 CO 0.53 0.05 0.00 -0.85 -0.23 0.00 0.00 178.00 177.50