#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fbf n LEU 1 N 0.00 1.24 -3.93 0.99 4.77 -1.26 -2.80 117.00 116.01 3fbf n LEU 1 Ca 0.00 1.08 -0.09 0.00 -0.03 0.00 0.00 56.01 56.97 3fbf n LEU 1 Cb 0.00 -1.23 -0.09 0.00 -2.33 0.00 0.00 43.42 39.77 3fbf n LEU 1 CO 0.00 -1.92 -0.21 -1.10 -1.33 0.00 0.00 177.39 172.82 3fbf s GLN 2 N -1.60 0.60 -0.01 3.23 -0.21 -0.04 -4.82 119.66 116.81 3fbf s GLN 2 Ca 0.61 -0.79 0.07 0.00 0.02 0.00 0.00 55.36 55.28 3fbf s GLN 2 Cb -0.67 0.24 -0.02 0.00 1.00 0.00 0.00 33.01 33.55 3fbf s GLN 2 CO 0.58 -0.15 -0.24 1.03 -2.12 0.00 0.00 175.29 174.40 3fbf s ARG 3 N -2.73 2.12 0.20 2.91 1.81 -1.26 -1.68 118.95 120.33 3fbf s ARG 3 Ca -0.04 -0.92 0.02 0.00 -1.72 0.00 0.00 55.73 53.06 3fbf s ARG 3 Cb -0.00 -2.09 -0.05 0.00 -0.45 0.00 0.00 34.95 32.35 3fbf s ARG 3 CO -0.05 0.56 0.04 -0.08 -0.68 0.00 0.00 175.30 175.09 3fbf s THR 4 N -0.68 0.61 -0.19 0.02 -1.32 -0.48 -4.73 115.64 108.87 3fbf s THR 4 Ca 0.11 -1.99 -0.04 0.00 -1.21 0.00 0.00 61.69 58.56 3fbf s THR 4 Cb -0.10 -2.30 -0.02 0.00 -1.51 0.00 0.00 72.50 68.58 3fbf s THR 4 CO 0.00 -0.31 -0.04 -0.22 -2.21 0.00 0.00 174.62 171.84 3fbf s LEU 5 N -3.22 3.04 -0.08 9.08 2.96 -1.26 -1.75 118.68 127.45 3fbf s LEU 5 Ca 0.29 -0.28 0.02 0.00 -0.22 0.00 0.00 54.13 53.93 3fbf s LEU 5 Cb 0.07 -1.76 -0.02 0.00 0.50 0.00 0.00 46.19 44.98 3fbf s LEU 5 CO 0.07 0.06 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.36 3fbf s VAL 6 N 1.00 3.24 -0.11 1.68 1.01 0.94 -2.24 120.40 125.93 3fbf s VAL 6 Ca 0.00 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 61.36 3fbf s VAL 6 Cb -0.15 -2.31 -0.02 0.00 0.00 0.00 0.00 36.38 33.91 3fbf s VAL 6 CO 0.01 0.57 -0.15 -0.76 0.00 0.00 0.00 175.10 174.77 3fbf s LEU 7 N -0.44 2.65 -0.36 3.92 1.43 -0.42 0.25 118.68 125.71 3fbf s LEU 7 Ca 0.06 -0.33 -0.17 0.00 -1.03 0.00 0.00 54.13 52.66 3fbf s LEU 7 Cb -0.12 -1.58 -0.00 0.00 0.03 0.00 0.00 46.19 44.52 3fbf s LEU 7 CO 0.02 0.20 0.46 -0.63 0.23 0.00 0.00 176.35 176.64 3fbf s ILE 8 N 0.12 5.06 0.76 -0.59 -1.09 0.10 -1.18 121.20 124.39 3fbf s ILE 8 Ca -0.07 0.17 -0.11 0.00 -2.23 0.00 0.00 60.65 58.41 3fbf s ILE 8 Cb -0.15 -3.93 0.05 0.00 -1.58 0.00 0.00 42.46 36.84 3fbf s ILE 8 CO 0.05 -0.21 1.10 -0.54 -1.23 0.00 0.00 174.94 174.11 3fbf s LYS 9 N 2.26 2.37 0.62 2.79 1.02 0.15 -2.06 119.74 126.89 3fbf s LYS 9 Ca 0.16 0.56 0.39 0.00 0.02 0.00 0.00 55.97 57.10 3fbf s LYS 9 Cb -0.16 -1.96 2.03 0.00 -0.52 0.00 0.00 37.83 37.22 3fbf s LYS 9 CO 0.13 -1.40 2.24 -1.35 -0.92 0.00 0.00 175.35 174.05 3fbf h PRO 10 N -0.92 0.00 -0.34 -1.68 0.11 -1.81 -1.98 132.00 125.37 3fbf h PRO 10 Ca -0.46 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.56 3fbf h PRO 10 Cb 1.26 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.36 3fbf h PRO 10 CO 0.61 0.01 -0.14 0.38 -0.21 0.00 0.00 178.00 178.65 3fbf h ASP 11 N 0.00 0.59 -0.67 -2.05 2.03 -1.90 -1.71 116.42 112.71 3fbf h ASP 11 Ca -0.00 -0.17 0.05 0.00 -0.73 0.00 0.00 57.03 56.18 3fbf h ASP 11 Cb 0.17 -0.16 -0.04 0.00 -0.83 0.00 0.00 39.33 38.47 3fbf h ASP 11 CO 0.00 0.76 0.44 0.00 -1.03 0.00 0.00 179.24 179.41 3fbf h ALA 12 N 1.30 1.71 -0.01 4.15 0.00 -1.61 0.18 119.26 124.97 3fbf h ALA 12 Ca 0.09 -0.02 -0.27 0.00 0.00 0.00 0.00 54.91 54.71 3fbf h ALA 12 Cb 0.56 -0.19 0.02 0.00 0.00 0.00 0.00 17.79 18.18 3fbf h ALA 12 CO 0.04 0.20 -1.03 0.74 0.00 0.00 0.00 179.25 179.20 3fbf h PHE 13 N 0.72 1.05 -0.58 0.00 -1.00 -1.54 0.23 116.94 115.83 3fbf h PHE 13 Ca 0.28 -0.57 -0.01 0.00 2.81 0.00 0.00 57.97 60.49 3fbf h PHE 13 Cb 0.19 -0.12 -0.03 0.00 3.61 0.00 0.00 35.95 39.60 3fbf h PHE 13 CO -0.00 1.40 0.34 1.49 -1.61 0.00 0.00 178.31 179.93 3fbf h GLU 14 N 0.41 0.79 -0.23 1.51 4.22 -0.52 -2.96 114.58 117.80 3fbf h GLU 14 Ca -0.13 -0.08 0.00 0.00 0.08 0.00 0.00 59.36 59.24 3fbf h GLU 14 Cb 1.68 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.77 3fbf h GLU 14 CO 0.20 0.58 0.00 0.54 -2.18 0.00 0.00 179.01 178.15 3fbf n ARG 15 N -4.62 2.14 -3.47 1.92 1.74 0.56 -4.96 116.66 109.96 3fbf n ARG 15 Ca 0.04 -1.70 -0.21 0.00 -0.77 0.00 0.00 57.85 55.20 3fbf n ARG 15 Cb 0.06 -1.46 0.07 0.00 -1.02 0.00 0.00 32.46 30.12 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 0.95 -5.40 -0.63 0.55 7.64 -0.12 -4.91 113.62 111.69 3fbf n SER 16 Ca 0.17 -0.50 0.08 0.00 1.01 0.00 0.00 58.87 59.63 3fbf n SER 16 Cb 0.49 -4.62 0.20 0.00 -1.01 0.00 0.00 64.21 59.27 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 -4.48 3.32 0.17 -3.43 4.77 0.63 -4.75 117.00 113.23 3fbf n LEU 17 Ca -0.03 -2.83 -0.14 0.00 -0.03 0.00 0.00 56.01 52.97 3fbf n LEU 17 Cb 0.57 -0.44 -0.08 0.00 -2.33 0.00 0.00 43.42 41.14 3fbf n LEU 17 CO 0.58 0.68 0.76 0.58 -1.33 0.00 0.00 177.39 178.66 3fbf h VAL 18 N 1.35 0.73 -0.19 4.08 2.07 -1.91 -1.50 116.25 120.88 3fbf h VAL 18 Ca 0.00 -0.07 -0.09 0.00 0.82 0.00 0.00 66.70 67.36 3fbf h VAL 18 Cb 1.19 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 3fbf h VAL 18 CO 0.13 0.02 -0.27 0.00 0.02 0.00 0.00 177.57 177.46 3fbf h ALA 19 N 0.29 1.18 -0.55 1.67 0.00 -1.93 -1.02 119.26 118.90 3fbf h ALA 19 Ca -0.04 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.46 3fbf h ALA 19 Cb 0.32 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3fbf h ALA 19 CO 0.06 0.53 0.05 1.49 0.00 0.00 0.00 179.25 181.38 3fbf h GLU 20 N 0.32 0.90 -0.12 0.00 4.57 -1.83 0.50 114.58 118.93 3fbf h GLU 20 Ca 0.05 -0.24 -0.11 0.00 -1.18 0.00 0.00 59.36 57.88 3fbf h GLU 20 Cb 0.66 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.14 3fbf h GLU 20 CO 0.05 0.87 -0.35 0.82 -1.18 0.00 0.00 179.01 179.22 3fbf h ILE 21 N 0.85 1.37 -0.24 2.32 2.04 -0.72 -2.91 117.51 120.23 3fbf h ILE 21 Ca 0.17 -1.65 -0.10 0.00 1.00 0.00 0.00 64.86 64.27 3fbf h ILE 21 Cb 0.44 2.10 -0.01 0.00 -0.74 0.00 0.00 36.82 38.61 3fbf h ILE 21 CO 0.02 0.49 -0.30 0.24 0.00 0.00 0.00 178.15 178.60 3fbf h MET 22 N 0.05 0.48 -0.69 2.37 2.86 -1.02 -2.89 114.93 116.09 3fbf h MET 22 Ca -0.01 -0.20 0.07 0.00 -2.06 0.00 0.00 59.70 57.50 3fbf h MET 22 Cb 0.97 -0.02 -0.06 0.00 0.06 0.00 0.00 31.60 32.55 3fbf h MET 22 CO 0.08 0.73 0.38 0.78 1.06 0.00 0.00 176.91 179.93 3fbf h GLY 23 N 1.05 1.03 1.58 8.32 0.00 0.03 0.18 103.07 115.25 3fbf h GLY 23 Ca 0.05 -0.26 -0.09 0.00 0.00 0.00 0.00 47.33 47.04 3fbf h GLY 23 CO 0.06 0.14 -0.20 3.21 0.00 0.00 0.00 176.54 179.75 3fbf h ARG 24 N 0.69 0.49 0.05 4.80 3.08 -1.30 0.41 114.38 122.59 3fbf h ARG 24 Ca 0.32 -0.17 -0.27 0.00 0.07 0.00 0.00 59.98 59.93 3fbf h ARG 24 Cb 0.23 -0.04 0.02 0.00 0.08 0.00 0.00 29.97 30.26 3fbf h ARG 24 CO -0.20 0.67 -1.10 0.82 -1.07 0.00 0.00 179.97 179.08 3fbf h ILE 25 N 0.44 1.32 -0.61 2.04 2.04 -1.39 -2.95 117.51 118.40 3fbf h ILE 25 Ca 0.07 -2.40 -0.05 0.00 1.00 0.00 0.00 64.86 63.48 3fbf h ILE 25 Cb 0.60 2.52 -0.03 0.00 -0.74 0.00 0.00 36.82 39.18 3fbf h ILE 25 CO 0.04 0.73 0.19 -0.08 0.00 0.00 0.00 178.15 179.03 3fbf h GLU 26 N 0.31 0.95 0.00 2.37 4.81 -0.16 -2.84 114.58 120.02 3fbf h GLU 26 Ca -0.14 -0.21 -0.05 0.00 -0.13 0.00 0.00 59.36 58.84 3fbf h GLU 26 Cb 1.76 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 31.00 3fbf h GLU 26 CO 0.21 0.84 -0.23 0.87 -0.73 0.00 0.00 179.01 179.98 3fbf h LYS 27 N 0.87 0.00 -0.01 1.92 1.79 -0.25 -1.18 116.57 119.72 3fbf h LYS 27 Ca 0.20 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.67 3fbf h LYS 27 Cb 0.29 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.94 3fbf h LYS 27 CO -0.01 0.23 0.00 1.17 -1.08 0.00 0.00 179.45 179.76 3fbf n LYS 28 N -4.12 1.05 -0.60 3.15 4.81 -1.08 -4.89 118.16 116.48 3fbf n LYS 28 Ca -0.02 -0.07 0.00 0.00 -0.87 0.00 0.00 58.31 57.35 3fbf n LYS 28 Cb 0.29 -1.38 0.00 0.00 0.02 0.00 0.00 35.03 33.96 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 -0.80 -1.79 -4.79 3.14 4.05 -0.45 -5.06 115.26 109.56 3fbf n ASN 29 Ca 0.18 0.00 -0.37 0.00 0.45 0.00 0.00 54.58 54.84 3fbf n ASN 29 Cb 0.10 -0.30 -0.06 0.00 1.23 0.00 0.00 39.78 40.75 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 -2.00 3.74 -0.12 1.20 0.40 -1.16 -4.96 117.98 115.09 3fbf s PHE 30 Ca 0.00 1.61 -0.05 0.00 -0.60 0.00 0.00 56.93 57.88 3fbf s PHE 30 Cb 0.00 -2.77 -0.04 0.00 0.51 0.00 0.00 43.02 40.72 3fbf s PHE 30 CO 0.00 0.34 0.08 0.15 0.70 0.00 0.00 175.22 176.49 3fbf s LYS 31 N -1.76 3.38 -0.14 0.44 3.01 -0.73 -4.51 119.74 119.43 3fbf s LYS 31 Ca 0.44 -0.27 -0.29 0.00 -1.01 0.00 0.00 55.97 54.83 3fbf s LYS 31 Cb -0.19 -3.05 -0.02 0.00 -1.01 0.00 0.00 37.83 33.55 3fbf s LYS 31 CO 0.24 0.65 1.27 0.42 0.51 0.00 0.00 175.35 178.44 3fbf s ILE 32 N -0.71 4.24 -0.23 2.17 1.01 -1.26 -0.90 121.20 125.53 3fbf s ILE 32 Ca 0.12 1.52 0.09 0.00 0.00 0.00 0.00 60.65 62.37 3fbf s ILE 32 Cb -0.12 -3.98 -0.20 0.00 0.01 0.00 0.00 42.46 38.17 3fbf s ILE 32 CO 0.03 -0.11 -0.10 0.52 0.00 0.00 0.00 174.94 175.27 3fbf n VAL 33 N 5.24 1.43 -3.49 2.92 0.31 0.18 -4.96 118.33 119.96 3fbf n VAL 33 Ca 0.14 -0.68 -0.11 0.00 -0.01 0.00 0.00 64.34 63.67 3fbf n VAL 33 Cb 0.45 -1.01 -0.02 0.00 -0.91 0.00 0.00 33.84 32.35 3fbf n VAL 33 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3fbf s SER 34 N -6.06 -0.51 -0.25 4.52 1.04 -1.21 -5.00 113.70 106.24 3fbf s SER 34 Ca -0.24 -0.10 -0.26 0.00 0.48 0.00 0.00 55.95 55.83 3fbf s SER 34 Cb 0.08 0.61 0.08 0.00 0.10 0.00 0.00 66.02 66.89 3fbf s SER 34 CO 0.69 -1.01 0.79 -0.32 0.98 0.00 0.00 173.24 174.36 3fbf s MET 35 N -3.78 0.79 -0.01 4.02 0.00 -1.26 -1.17 119.30 117.89 3fbf s MET 35 Ca 0.02 0.83 0.01 0.00 0.00 0.00 0.00 55.69 56.55 3fbf s MET 35 Cb -0.02 0.38 0.00 0.00 0.00 0.00 0.00 34.83 35.20 3fbf s MET 35 CO -0.10 -0.12 -0.01 0.15 0.00 0.00 0.00 175.02 174.94 3fbf s LYS 36 N 0.16 0.15 -0.22 4.11 1.02 -0.55 -5.01 119.74 119.40 3fbf s LYS 36 Ca -0.00 -0.03 -0.09 0.00 0.02 0.00 0.00 55.97 55.86 3fbf s LYS 36 Cb -0.04 -0.19 -0.04 0.00 -0.52 0.00 0.00 37.83 37.03 3fbf s LYS 36 CO 0.00 0.00 0.12 0.12 -0.92 0.00 0.00 175.35 174.67 3fbf s PHE 37 N 0.16 3.27 -0.31 3.18 5.36 -1.26 -1.51 117.98 126.87 3fbf s PHE 37 Ca -0.01 0.10 -0.01 0.00 -0.96 0.00 0.00 56.93 56.04 3fbf s PHE 37 Cb -0.03 -2.20 0.06 0.00 -0.34 0.00 0.00 43.02 40.51 3fbf s PHE 37 CO -0.00 0.05 0.01 -1.58 -1.46 0.00 0.00 175.22 172.24 3fbf s TRP 38 N 0.87 3.30 0.56 10.12 0.52 -0.23 -4.97 118.94 129.11 3fbf s TRP 38 Ca 0.06 -1.96 0.24 0.00 0.02 0.00 0.00 56.10 54.46 3fbf s TRP 38 Cb -0.13 -2.20 1.52 0.00 -1.15 0.00 0.00 33.47 31.50 3fbf s TRP 38 CO 0.03 -0.82 2.12 0.66 0.02 0.00 0.00 176.95 178.95 3fbf h SER 39 N 7.98 0.00 -2.03 2.95 4.64 -1.91 -1.70 113.55 123.48 3fbf h SER 39 Ca -0.20 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.20 3fbf h SER 39 Cb 1.06 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 62.95 3fbf h SER 39 CO 0.54 0.00 -0.11 -0.75 -0.87 0.00 0.00 176.83 175.64 3fbf s LYS 40 N -4.84 0.58 0.24 4.77 2.20 -1.26 -3.29 119.74 118.13 3fbf s LYS 40 Ca -0.05 1.42 -0.30 0.00 -0.36 0.00 0.00 55.97 56.69 3fbf s LYS 40 Cb 0.17 0.82 -0.09 0.00 -1.51 0.00 0.00 37.83 37.22 3fbf s LYS 40 CO 0.62 -0.19 0.99 0.00 -0.36 0.00 0.00 175.35 176.41 3fbf s ALA 41 N 2.81 3.35 0.29 3.13 0.00 -1.26 -4.98 121.76 125.11 3fbf s ALA 41 Ca -0.06 0.70 -0.29 0.00 0.00 0.00 0.00 51.96 52.30 3fbf s ALA 41 Cb -0.11 -3.25 -0.13 0.00 0.00 0.00 0.00 23.12 19.62 3fbf s ALA 41 CO -0.19 0.08 1.31 -2.30 0.00 0.00 0.00 175.76 174.66 3fbf n PRO 42 N 1.54 2.01 -0.08 0.00 -0.02 -1.26 -4.84 135.00 132.35 3fbf n PRO 42 Ca -0.01 0.71 0.07 0.00 -2.02 0.00 0.00 63.50 62.25 3fbf n PRO 42 Cb 0.46 -2.30 0.42 0.00 -0.02 0.00 0.00 33.50 32.07 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 3.22 0.56 -0.16 -0.52 2.43 -1.98 -2.70 114.38 115.23 3fbf h ARG 43 Ca -0.45 -0.03 -0.14 0.00 -0.81 0.00 0.00 59.98 58.54 3fbf h ARG 43 Cb 1.29 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.70 3fbf h ARG 43 CO 0.68 0.37 -0.52 -2.95 -1.51 0.00 0.00 179.97 176.05 3fbf h ASN 44 N 0.58 0.48 -0.30 -3.80 -1.07 -2.00 -2.09 115.58 107.39 3fbf h ASN 44 Ca 0.24 -0.25 0.01 0.00 0.07 0.00 0.00 56.30 56.37 3fbf h ASN 44 Cb 0.21 -0.14 -0.02 0.00 -2.07 0.00 0.00 38.32 36.31 3fbf h ASN 44 CO -0.07 0.91 0.18 -0.07 0.07 0.00 0.00 177.43 178.45 3fbf h LEU 45 N 0.34 0.29 -0.23 6.14 4.07 -1.85 -0.59 115.31 123.48 3fbf h LEU 45 Ca 0.01 0.00 0.05 0.00 0.08 0.00 0.00 57.88 58.03 3fbf h LEU 45 Cb 1.03 -0.06 -0.05 0.00 1.08 0.00 0.00 40.66 42.65 3fbf h LEU 45 CO 0.09 0.21 -0.10 0.40 -1.08 0.00 0.00 178.44 177.96 3fbf h ILE 46 N 0.36 0.67 -0.73 1.22 1.08 -1.39 -0.68 117.51 118.04 3fbf h ILE 46 Ca 0.12 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.60 3fbf h ILE 46 Cb -0.01 0.67 -0.04 0.00 -3.07 0.00 0.00 36.82 34.37 3fbf h ILE 46 CO -0.05 0.00 0.48 -0.33 -0.69 0.00 0.00 178.15 177.56 3fbf h GLU 47 N -0.07 0.95 -0.43 2.37 5.08 -1.01 0.63 114.58 122.10 3fbf h GLU 47 Ca 0.12 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.44 3fbf h GLU 47 Cb 0.25 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 3fbf h GLU 47 CO -0.28 0.63 0.27 1.96 -1.00 0.00 0.00 179.01 180.59 3fbf h GLN 48 N 0.98 0.53 -0.09 2.33 4.20 -0.89 -0.65 115.11 121.52 3fbf h GLN 48 Ca 0.27 -0.03 0.02 0.00 0.06 0.00 0.00 58.65 58.97 3fbf h GLN 48 Cb -0.11 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.53 3fbf h GLN 48 CO -0.06 0.35 -0.06 1.25 -0.67 0.00 0.00 178.83 179.64 3fbf h HIS 49 N 0.54 -0.13 -0.71 2.96 2.76 0.40 -1.46 115.15 119.51 3fbf h HIS 49 Ca 0.17 0.01 -0.34 0.00 -2.20 0.00 0.00 60.37 58.01 3fbf h HIS 49 Cb -0.02 0.07 -0.20 0.00 1.55 0.00 0.00 27.41 28.81 3fbf h HIS 49 CO -0.06 -0.09 0.44 0.66 -1.30 0.00 0.00 177.93 177.58 3fbf n TYR 50 N -5.18 2.21 -0.32 5.26 4.02 0.06 -4.65 117.16 118.56 3fbf n TYR 50 Ca -0.04 -1.40 0.10 0.00 -0.01 0.00 0.00 57.90 56.55 3fbf n TYR 50 Cb 0.11 -0.73 0.27 0.00 -0.02 0.00 0.00 39.34 38.97 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 0.99 0.64 0.00 -0.72 2.10 0.02 -0.43 116.57 119.16 3fbf h LYS 51 Ca 0.42 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 59.03 3fbf h LYS 51 Cb 2.31 -0.14 0.00 0.00 -0.90 0.00 0.00 32.23 33.49 3fbf h LYS 51 CO 0.77 0.42 0.00 0.39 -2.00 0.00 0.00 179.45 179.04 3fbf n GLU 52 N -4.85 0.14 -0.03 0.07 1.02 -1.26 -2.10 120.64 113.64 3fbf n GLU 52 Ca 0.20 0.48 0.11 0.00 -0.02 0.00 0.00 57.16 57.93 3fbf n GLU 52 Cb 0.51 -1.84 0.10 0.00 -0.02 0.00 0.00 31.44 30.20 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 -2.12 0.07 0.20 -0.32 8.25 -0.17 -4.69 115.22 116.44 3fbf n HIS 53 Ca 0.01 -0.04 0.12 0.00 -0.26 0.00 0.00 57.72 57.55 3fbf n HIS 53 Cb 0.14 -0.00 0.64 0.00 1.12 0.00 0.00 29.99 31.89 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 4.13 0.00 -0.62 0.41 4.64 -1.47 0.35 113.55 120.99 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 0.89 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 3fbf h SER 54 CO 0.00 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.34 3fbf n GLU 55 N -2.37 2.66 -3.05 4.77 1.02 -1.26 -4.95 120.64 117.45 3fbf n GLU 55 Ca -0.02 -2.52 -0.30 0.00 -0.02 0.00 0.00 57.16 54.30 3fbf n GLU 55 Cb 0.14 -1.53 -0.04 0.00 -0.02 0.00 0.00 31.44 29.99 3fbf n GLU 55 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 3fbf s GLN 56 N -1.12 3.78 0.44 3.49 -1.52 0.12 -4.98 119.66 119.87 3fbf s GLN 56 Ca 0.44 0.37 0.21 0.00 -1.95 0.00 0.00 55.36 54.44 3fbf s GLN 56 Cb 0.24 -2.48 1.05 0.00 -0.22 0.00 0.00 33.01 31.60 3fbf s GLN 56 CO 0.32 0.08 1.92 0.66 -0.25 0.00 0.00 175.29 178.02 3fbf h SER 57 N 1.60 0.00 0.37 5.90 4.64 -1.93 -2.83 113.55 121.30 3fbf h SER 57 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3fbf h SER 57 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3fbf h SER 57 CO 0.65 0.24 -0.17 0.00 -0.87 0.00 0.00 176.83 176.69 3fbf n TYR 58 N -3.76 0.00 -0.10 4.77 0.18 -1.26 -4.48 117.16 112.52 3fbf n TYR 58 Ca -0.01 0.00 -0.09 0.00 1.88 0.00 0.00 57.90 59.68 3fbf n TYR 58 Cb 0.35 -0.19 -0.01 0.00 -0.38 0.00 0.00 39.34 39.11 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 0.67 0.42 -0.53 -3.48 3.04 -1.77 -1.55 116.94 113.74 3fbf h PHE 59 Ca 0.00 0.00 -0.10 0.00 3.98 0.00 0.00 57.97 61.85 3fbf h PHE 59 Cb 0.41 -0.14 -0.02 0.00 2.56 0.00 0.00 35.95 38.76 3fbf h PHE 59 CO 0.00 0.29 -0.08 -0.91 -2.02 0.00 0.00 178.31 175.59 3fbf h ASN 60 N 0.42 0.96 0.59 0.41 2.35 -1.82 -1.75 115.58 116.74 3fbf h ASN 60 Ca 0.12 -0.30 -0.15 0.00 -0.55 0.00 0.00 56.30 55.42 3fbf h ASN 60 Cb -0.01 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.08 3fbf h ASN 60 CO -0.02 1.06 -0.70 0.44 -1.65 0.00 0.00 177.43 176.56 3fbf h ASP 61 N 0.88 0.11 -0.24 5.81 3.32 -1.84 -0.68 116.42 123.77 3fbf h ASP 61 Ca 0.14 -0.07 0.04 0.00 0.02 0.00 0.00 57.03 57.16 3fbf h ASP 61 Cb 0.62 -0.03 -0.04 0.00 0.22 0.00 0.00 39.33 40.10 3fbf h ASP 61 CO 0.04 0.77 0.01 0.25 -1.72 0.00 0.00 179.24 178.60 3fbf h LEU 62 N 0.06 -0.06 -0.29 1.55 5.85 -0.97 -0.97 115.31 120.47 3fbf h LEU 62 Ca -0.01 0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.70 3fbf h LEU 62 Cb 1.24 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.34 3fbf h LEU 62 CO 0.10 -0.00 -0.02 0.00 -0.34 0.00 0.00 178.44 178.17 3fbf h ASP 64 N 0.31 0.82 -0.02 0.00 3.32 -1.04 -2.36 116.42 117.45 3fbf h ASP 64 Ca 0.08 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.14 3fbf h ASP 64 Cb 0.47 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.87 3fbf h ASP 64 CO 0.02 0.52 0.00 0.15 -1.72 0.00 0.00 179.24 178.22 3fbf h PHE 65 N 0.95 0.03 0.00 4.55 -0.00 -0.93 -2.10 116.94 119.44 3fbf h PHE 65 Ca 0.37 -0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.33 3fbf h PHE 65 Cb 0.17 -0.01 0.00 0.00 -0.00 0.00 0.00 35.95 36.11 3fbf h PHE 65 CO -0.04 0.26 0.00 0.52 -0.00 0.00 0.00 178.31 179.06 3fbf h MET 66 N -0.20 0.00 -0.00 1.11 2.86 -0.56 -1.51 114.93 116.63 3fbf h MET 66 Ca 0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 3fbf h MET 66 Cb 0.25 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.91 3fbf h MET 66 CO 0.00 0.00 -0.32 0.28 1.06 0.00 0.00 176.91 177.93 3fbf n VAL 67 N -2.32 0.00 1.79 -2.22 0.31 -0.93 -4.57 118.33 110.39 3fbf n VAL 67 Ca -0.01 -0.34 0.15 0.00 -0.01 0.00 0.00 64.34 64.13 3fbf n VAL 67 Cb 0.06 1.07 0.87 0.00 -0.91 0.00 0.00 33.84 34.92 3fbf n VAL 67 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3fbf n SER 68 N -0.69 0.00 -2.49 4.52 3.41 -0.57 -4.68 113.62 113.12 3fbf n SER 68 Ca 0.03 -0.80 -0.04 0.00 -0.26 0.00 0.00 58.87 57.80 3fbf n SER 68 Cb 0.18 -0.05 0.02 0.00 -0.26 0.00 0.00 64.21 64.10 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 0.93 1.02 3.70 5.00 0.00 -1.26 -5.07 105.19 109.50 3fbf n GLY 69 Ca 0.21 -1.14 -0.30 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.05 1.20 0.05 1.61 0.02 -1.21 -4.51 135.00 130.12 3fbf s PRO 70 Ca 0.14 1.02 -0.03 0.00 0.02 0.00 0.00 61.00 62.16 3fbf s PRO 70 Cb -0.03 -1.79 -0.03 0.00 0.02 0.00 0.00 34.50 32.68 3fbf s PRO 70 CO 0.06 -2.33 0.02 0.96 -0.33 0.00 0.00 177.00 175.38 3fbf s ILE 71 N -2.83 0.18 -0.10 2.83 -4.36 -0.64 -2.90 121.20 113.38 3fbf s ILE 71 Ca 0.64 -1.49 0.03 0.00 -0.26 0.00 0.00 60.65 59.56 3fbf s ILE 71 Cb -0.19 -1.22 -0.01 0.00 1.25 0.00 0.00 42.46 42.29 3fbf s ILE 71 CO 0.58 -0.82 -0.19 -0.63 0.24 0.00 0.00 174.94 174.11 3fbf s ILE 72 N -3.36 2.50 -0.16 8.37 1.01 -0.88 -1.07 121.20 127.62 3fbf s ILE 72 Ca 0.02 -0.87 -0.07 0.00 0.00 0.00 0.00 60.65 59.73 3fbf s ILE 72 Cb 0.04 -1.99 -0.04 0.00 0.01 0.00 0.00 42.46 40.47 3fbf s ILE 72 CO -0.08 0.55 0.07 -0.94 0.00 0.00 0.00 174.94 174.53 3fbf s SER 73 N 0.23 5.69 -0.02 3.58 1.04 -0.57 0.02 113.70 123.67 3fbf s SER 73 Ca -0.12 0.14 0.02 0.00 0.48 0.00 0.00 55.95 56.47 3fbf s SER 73 Cb -0.16 -1.92 -0.00 0.00 0.10 0.00 0.00 66.02 64.03 3fbf s SER 73 CO 0.07 0.23 -0.08 -0.63 0.98 0.00 0.00 173.24 173.80 3fbf s ILE 74 N 0.05 0.69 -0.31 -1.02 1.01 0.14 -1.48 121.20 120.28 3fbf s ILE 74 Ca 0.06 -0.34 -0.09 0.00 0.00 0.00 0.00 60.65 60.27 3fbf s ILE 74 Cb -0.12 -0.60 -0.01 0.00 0.01 0.00 0.00 42.46 41.74 3fbf s ILE 74 CO 0.01 0.21 0.15 -0.69 0.00 0.00 0.00 174.94 174.61 3fbf s VAL 75 N 0.01 4.57 -0.00 2.92 1.01 -0.32 -0.04 120.40 128.55 3fbf s VAL 75 Ca 0.00 -0.41 -0.02 0.00 0.00 0.00 0.00 61.98 61.55 3fbf s VAL 75 Cb -0.06 -3.32 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 3fbf s VAL 75 CO -0.00 0.08 0.16 -0.31 0.00 0.00 0.00 175.10 175.03 3fbf s TYR 76 N 1.61 3.48 -0.04 5.22 1.51 -0.72 -0.64 117.35 127.77 3fbf s TYR 76 Ca 0.05 0.31 0.05 0.00 -1.01 0.00 0.00 57.07 56.47 3fbf s TYR 76 Cb -0.17 -1.80 -0.01 0.00 -0.11 0.00 0.00 41.96 39.87 3fbf s TYR 76 CO 0.06 0.62 -0.19 -2.00 -1.11 0.00 0.00 175.55 172.93 3fbf s GLU 77 N -1.93 1.88 0.00 -0.62 2.12 -0.08 -1.37 118.70 118.70 3fbf s GLU 77 Ca 0.27 -0.68 0.00 0.00 0.36 0.00 0.00 54.97 54.91 3fbf s GLU 77 Cb -0.12 -1.66 0.00 0.00 0.26 0.00 0.00 34.13 32.60 3fbf s GLU 77 CO 0.18 0.31 0.00 0.41 -0.54 0.00 0.00 175.26 175.62 3fbf n GLY 78 N 2.98 0.15 3.68 -1.50 0.00 -0.67 -1.77 105.19 108.06 3fbf n GLY 78 Ca -0.17 -0.92 -0.43 0.00 0.00 0.00 0.00 46.02 44.50 3fbf n GLY 78 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3fbf n THR 79 N -0.15 0.44 -3.47 2.61 -1.04 -1.26 -0.86 114.28 110.55 3fbf n THR 79 Ca 0.00 -0.08 -0.23 0.00 -2.04 0.00 0.00 64.05 61.70 3fbf n THR 79 Cb 0.00 -2.08 0.07 0.00 -1.82 0.00 0.00 70.33 66.50 3fbf n THR 79 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 3fbf n ASP 80 N 5.95 -6.31 -0.20 8.00 4.64 -1.12 -4.90 116.55 122.62 3fbf n ASP 80 Ca 0.19 -0.48 -0.09 0.00 -1.38 0.00 0.00 54.79 53.03 3fbf n ASP 80 Cb 0.36 -4.97 0.02 0.00 -1.04 0.00 0.00 41.12 35.49 3fbf n ASP 80 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3fbf h ALA 81 N 1.00 0.75 0.41 -1.67 0.00 -1.75 -1.24 119.26 116.76 3fbf h ALA 81 Ca -0.56 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.09 3fbf h ALA 81 Cb 1.37 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 3fbf h ALA 81 CO 0.56 0.52 -0.45 0.82 0.00 0.00 0.00 179.25 180.70 3fbf h ILE 82 N 0.84 0.11 0.31 0.00 2.04 -1.88 -1.90 117.51 117.04 3fbf h ILE 82 Ca 0.17 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.01 3fbf h ILE 82 Cb 0.45 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 3fbf h ILE 82 CO 0.02 0.00 -0.15 -1.28 0.00 0.00 0.00 178.15 176.73 3fbf h SER 83 N -0.88 -0.36 -0.60 1.72 0.87 -1.86 -2.66 113.55 109.78 3fbf h SER 83 Ca -0.04 -0.07 0.05 0.00 -1.23 0.00 0.00 61.79 60.50 3fbf h SER 83 Cb 0.79 0.09 -0.05 0.00 -0.44 0.00 0.00 62.40 62.79 3fbf h SER 83 CO -0.09 -0.15 0.32 0.11 -0.53 0.00 0.00 176.83 176.49 3fbf h LYS 84 N -0.55 0.58 0.00 2.24 1.79 -1.20 -1.22 116.57 118.20 3fbf h LYS 84 Ca -0.04 -0.03 -0.07 0.00 -2.18 0.00 0.00 60.65 58.32 3fbf h LYS 84 Cb 0.41 -0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 30.92 3fbf h LYS 84 CO 0.07 0.38 -0.36 0.82 -1.08 0.00 0.00 179.45 179.29 3fbf h ILE 85 N 0.60 0.73 -0.29 1.86 2.04 -1.40 -1.39 117.51 119.66 3fbf h ILE 85 Ca 0.27 -1.62 -0.02 0.00 1.00 0.00 0.00 64.86 64.50 3fbf h ILE 85 Cb 0.17 2.05 -0.01 0.00 -0.74 0.00 0.00 36.82 38.29 3fbf h ILE 85 CO -0.18 0.35 0.12 0.03 0.00 0.00 0.00 178.15 178.47 3fbf h ARG 86 N 0.00 0.43 -0.44 2.37 2.47 -0.97 -0.75 114.38 117.48 3fbf h ARG 86 Ca -0.00 -0.07 -0.05 0.00 -1.26 0.00 0.00 59.98 58.59 3fbf h ARG 86 Cb 1.02 -0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 29.25 3fbf h ARG 86 CO 0.05 0.44 0.07 0.00 0.56 0.00 0.00 179.97 181.08 3fbf h ARG 87 N 0.32 0.69 -0.43 0.04 3.08 -0.79 -0.57 114.38 116.71 3fbf h ARG 87 Ca 0.10 -0.14 -0.05 0.00 0.07 0.00 0.00 59.98 59.95 3fbf h ARG 87 Cb 0.17 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 3fbf h ARG 87 CO -0.01 0.66 0.06 1.25 -1.07 0.00 0.00 179.97 180.86 3fbf h LEU 88 N 0.66 0.70 -0.33 3.04 5.85 -1.12 -2.44 115.31 121.68 3fbf h LEU 88 Ca 0.14 -0.27 0.01 0.00 0.84 0.00 0.00 57.88 58.61 3fbf h LEU 88 Cb 0.31 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 3fbf h LEU 88 CO 0.00 0.79 0.19 -0.61 -0.34 0.00 0.00 178.44 178.47 3fbf h GLN 89 N 0.58 0.37 0.00 1.25 4.15 -0.76 0.15 115.11 120.85 3fbf h GLN 89 Ca 0.13 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.53 3fbf h GLN 89 Cb 0.40 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.00 3fbf h GLN 89 CO 0.01 0.25 0.00 0.41 -1.93 0.00 0.00 178.83 177.57 3fbf n GLY 90 N -1.19 0.98 3.32 2.39 0.00 -0.26 -1.29 105.19 109.15 3fbf n GLY 90 Ca -0.00 -0.65 -0.18 0.00 0.00 0.00 0.00 46.02 45.19 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 1.35 0.00 1.61 2.20 -1.26 -4.75 114.94 110.08 3fbf s ASN 91 Ca 0.00 -1.48 0.19 0.00 -0.94 0.00 0.00 52.86 50.62 3fbf s ASN 91 Cb 0.00 0.30 0.94 0.00 -2.00 0.00 0.00 41.25 40.49 3fbf s ASN 91 CO 0.00 -0.83 1.56 2.30 -2.94 0.00 0.00 177.10 177.20 3fbf n ILE 92 N -0.53 0.43 -0.02 0.54 -5.35 -1.26 -1.00 119.36 112.17 3fbf n ILE 92 Ca 0.01 0.11 -0.07 0.00 -0.27 0.00 0.00 62.75 62.52 3fbf n ILE 92 Cb 0.65 -0.80 -0.13 0.00 -1.74 0.00 0.00 39.64 37.62 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 -1.27 0.80 -4.24 7.28 4.77 -1.26 -4.68 117.00 118.39 3fbf n LEU 93 Ca 0.09 0.38 -0.39 0.00 -0.03 0.00 0.00 56.01 56.05 3fbf n LEU 93 Cb 0.14 0.18 -0.11 0.00 -2.33 0.00 0.00 43.42 41.31 3fbf n LEU 93 CO 0.14 0.36 -0.14 0.42 -1.33 0.00 0.00 177.39 176.84 3fbf s THR 94 N -2.64 3.99 0.75 -5.08 -4.23 -1.12 -5.02 115.64 102.29 3fbf s THR 94 Ca -0.05 -1.47 -0.15 0.00 -1.18 0.00 0.00 61.69 58.84 3fbf s THR 94 Cb 0.08 -3.46 0.05 0.00 1.34 0.00 0.00 72.50 70.51 3fbf s THR 94 CO 0.82 -0.49 1.24 -2.65 -0.54 0.00 0.00 174.62 173.01 3fbf n PRO 95 N 4.85 0.54 0.00 3.99 -0.02 -1.26 -3.39 135.00 139.71 3fbf n PRO 95 Ca -0.09 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 3fbf n PRO 95 Cb 0.43 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 3fbf n PRO 95 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fbf n GLY 96 N 0.68 3.45 4.00 -1.23 0.00 -1.26 -4.92 105.19 105.91 3fbf n GLY 96 Ca 0.15 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.98 3.07 0.10 2.61 -4.23 -1.22 -4.93 115.64 108.06 3fbf s THR 97 Ca 0.00 -0.91 -0.24 0.00 -1.18 0.00 0.00 61.69 59.36 3fbf s THR 97 Cb 0.00 -3.06 -0.13 0.00 1.34 0.00 0.00 72.50 70.65 3fbf s THR 97 CO 0.00 -0.03 1.71 0.40 -0.54 0.00 0.00 174.62 176.16 3fbf h ILE 98 N 0.53 0.84 -0.27 2.99 2.04 -0.74 -0.49 117.51 122.40 3fbf h ILE 98 Ca -0.41 0.00 -0.18 0.00 1.00 0.00 0.00 64.86 65.27 3fbf h ILE 98 Cb 1.28 0.84 -0.00 0.00 -0.74 0.00 0.00 36.82 38.20 3fbf h ILE 98 CO 0.48 0.00 -0.54 0.03 0.00 0.00 0.00 178.15 178.12 3fbf h ARG 99 N -0.15 0.81 -0.75 2.37 3.08 -1.41 -1.94 114.38 116.39 3fbf h ARG 99 Ca 0.01 -0.50 0.05 0.00 0.07 0.00 0.00 59.98 59.61 3fbf h ARG 99 Cb 0.15 0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.21 3fbf h ARG 99 CO -0.03 1.13 0.49 0.78 -1.07 0.00 0.00 179.97 181.28 3fbf h GLY 100 N 0.79 1.02 0.81 0.04 0.00 -0.91 -1.40 103.07 103.41 3fbf h GLY 100 Ca 0.02 -0.33 -0.32 0.00 0.00 0.00 0.00 47.33 46.70 3fbf h GLY 100 CO 0.12 0.26 -1.84 1.22 0.00 0.00 0.00 176.54 176.30 3fbf n ASP 101 N -4.47 1.09 -0.00 0.19 8.00 -0.21 -4.34 116.55 116.82 3fbf n ASP 101 Ca 0.10 0.33 0.01 0.00 0.71 0.00 0.00 54.79 55.94 3fbf n ASP 101 Cb 0.18 -0.16 -0.01 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 0.09 -4.22 0.64 4.77 -0.73 -5.04 117.00 109.39 3fbf n LEU 102 Ca -0.22 -0.41 -0.25 0.00 -0.03 0.00 0.00 56.01 55.11 3fbf n LEU 102 Cb 1.06 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 42.01 3fbf n LEU 102 CO 0.44 0.02 -0.51 0.00 -1.33 0.00 0.00 177.39 176.01 3fbf s ALA 103 N -1.40 1.63 -0.32 -1.18 0.00 -0.53 -5.03 121.76 114.93 3fbf s ALA 103 Ca 0.01 -0.99 0.17 0.00 0.00 0.00 0.00 51.96 51.15 3fbf s ALA 103 Cb 0.02 -0.32 0.45 0.00 0.00 0.00 0.00 23.12 23.27 3fbf s ALA 103 CO 0.10 0.36 1.08 -1.71 0.00 0.00 0.00 175.76 175.59 3fbf n ASN 104 N 1.95 0.73 -3.85 0.00 5.15 -1.26 -4.71 115.26 113.27 3fbf n ASN 104 Ca -0.17 -2.52 -0.11 0.00 -0.60 0.00 0.00 54.58 51.19 3fbf n ASN 104 Cb 0.54 -0.19 -0.09 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 -2.81 0.02 0.14 1.20 3.68 -1.26 -5.02 116.67 112.62 3fbf s ASP 105 Ca 0.25 -0.31 0.27 0.00 2.13 0.00 0.00 52.55 54.89 3fbf s ASP 105 Cb 0.42 0.27 0.96 0.00 -1.45 0.00 0.00 42.92 43.12 3fbf s ASP 105 CO -0.01 -0.51 1.82 0.00 0.13 0.00 0.00 175.17 176.61 3fbf n ILE 106 N 0.89 0.41 -0.01 4.11 0.13 -1.26 -4.26 119.36 119.37 3fbf n ILE 106 Ca -0.20 -0.16 -0.03 0.00 -1.10 0.00 0.00 62.75 61.26 3fbf n ILE 106 Cb 0.58 -0.58 -0.01 0.00 -0.84 0.00 0.00 39.64 38.78 3fbf n ILE 106 CO 0.00 0.00 0.00 -1.14 2.80 0.00 0.00 176.55 178.21 3fbf n ARG 107 N -1.99 0.06 -2.68 9.51 0.63 -1.26 -4.87 116.66 116.05 3fbf n ARG 107 Ca 0.06 0.03 -0.43 0.00 -0.92 0.00 0.00 57.85 56.58 3fbf n ARG 107 Cb 0.39 -0.60 0.00 0.00 0.45 0.00 0.00 32.46 32.70 3fbf n ARG 107 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 3fbf n GLU 108 N -3.17 3.27 -0.32 -0.14 1.02 -1.26 -4.68 120.64 115.36 3fbf n GLU 108 Ca -0.05 -3.49 0.08 0.00 -0.02 0.00 0.00 57.16 53.67 3fbf n GLU 108 Cb 0.50 -3.28 0.18 0.00 -0.02 0.00 0.00 31.44 28.82 3fbf n GLU 108 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 3fbf n ASN 109 N 6.99 2.48 0.00 1.62 0.23 -1.26 -4.18 115.26 121.14 3fbf n ASN 109 Ca 0.44 -3.32 0.00 0.00 -0.53 0.00 0.00 54.58 51.17 3fbf n ASN 109 Cb 0.44 -0.49 0.00 0.00 -2.08 0.00 0.00 39.78 37.65 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 -1.19 0.00 -3.76 -4.53 4.77 -1.26 -4.79 117.00 106.24 3fbf n LEU 110 Ca 0.19 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 56.04 3fbf n LEU 110 Cb 0.73 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.73 3fbf n LEU 110 CO 0.04 0.00 0.03 -0.51 -1.33 0.00 0.00 177.39 175.62 3fbf s ILE 111 N 0.00 0.05 0.03 -0.08 2.07 -1.26 -0.67 121.20 121.34 3fbf s ILE 111 Ca 0.00 -0.44 0.08 0.00 -1.41 0.00 0.00 60.65 58.88 3fbf s ILE 111 Cb 0.00 -0.61 -0.02 0.00 0.13 0.00 0.00 42.46 41.96 3fbf s ILE 111 CO 0.00 -0.24 -0.23 -2.28 -1.91 0.00 0.00 174.94 170.28 3fbf s HIS 112 N -1.22 2.05 0.00 3.50 5.65 -0.32 -4.95 115.29 120.00 3fbf s HIS 112 Ca -0.13 -0.39 0.02 0.00 0.25 0.00 0.00 55.06 54.81 3fbf s HIS 112 Cb -0.05 -1.25 -0.01 0.00 -1.18 0.00 0.00 32.58 30.10 3fbf s HIS 112 CO 0.04 0.07 -0.06 0.00 -0.65 0.00 0.00 174.74 174.14 3fbf s ALA 113 N -0.73 0.45 0.42 1.58 0.00 -1.26 -1.30 121.76 120.92 3fbf s ALA 113 Ca 0.09 -0.29 -0.25 0.00 0.00 0.00 0.00 51.96 51.52 3fbf s ALA 113 Cb -0.09 -0.10 -0.10 0.00 0.00 0.00 0.00 23.12 22.83 3fbf s ALA 113 CO 0.01 0.09 1.18 0.43 0.00 0.00 0.00 175.76 177.48 3fbf n SER 114 N 2.79 2.11 -0.62 0.00 7.64 -0.95 -4.92 113.62 119.67 3fbf n SER 114 Ca -0.14 1.08 0.06 0.00 1.01 0.00 0.00 58.87 60.89 3fbf n SER 114 Cb 0.58 -1.45 0.12 0.00 -1.01 0.00 0.00 64.21 62.45 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 0.29 2.62 -3.52 6.43 5.68 -1.26 -4.67 116.55 122.12 3fbf n ASP 115 Ca 0.08 -1.80 -0.09 0.00 -0.50 0.00 0.00 54.79 52.47 3fbf n ASP 115 Cb 0.39 -0.15 -0.03 0.00 -1.14 0.00 0.00 41.12 40.19 3fbf n ASP 115 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3fbf s SER 116 N -1.01 -0.38 0.24 -1.12 1.04 -1.26 -4.97 113.70 106.25 3fbf s SER 116 Ca 0.21 0.10 -0.13 0.00 0.48 0.00 0.00 55.95 56.61 3fbf s SER 116 Cb 0.12 0.38 0.31 0.00 0.10 0.00 0.00 66.02 66.93 3fbf s SER 116 CO 0.16 -0.57 1.58 -0.33 0.98 0.00 0.00 173.24 175.06 3fbf h GLU 117 N 2.14 -0.03 -0.35 4.02 5.08 -1.97 0.17 114.58 123.64 3fbf h GLU 117 Ca -0.22 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.06 3fbf h GLU 117 Cb 1.22 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 3fbf h GLU 117 CO 0.31 -0.02 -0.14 -0.44 -1.00 0.00 0.00 179.01 177.73 3fbf h ASP 118 N -0.03 0.72 1.25 1.42 3.32 -2.00 -2.42 116.42 118.69 3fbf h ASP 118 Ca 0.37 -0.39 -0.06 0.00 0.02 0.00 0.00 57.03 56.97 3fbf h ASP 118 Cb 0.61 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 3fbf h ASP 118 CO -0.87 0.95 -0.27 0.77 -1.72 0.00 0.00 179.24 178.09 3fbf h SER 119 N 0.48 0.00 0.53 6.45 4.64 -1.81 -1.44 113.55 122.41 3fbf h SER 119 Ca 0.08 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.37 3fbf h SER 119 Cb 0.66 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.76 3fbf h SER 119 CO 0.04 0.27 -0.26 0.00 -0.87 0.00 0.00 176.83 176.02 3fbf h ALA 120 N 1.73 -0.72 -0.51 5.18 0.00 -0.56 0.13 119.26 124.52 3fbf h ALA 120 Ca -0.00 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.76 3fbf h ALA 120 Cb 0.97 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 19.00 3fbf h ALA 120 CO 0.04 -0.83 0.28 0.28 0.00 0.00 0.00 179.25 179.01 3fbf h VAL 121 N -0.86 1.00 0.12 0.00 2.07 -1.35 0.76 116.25 117.98 3fbf h VAL 121 Ca -0.07 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 3fbf h VAL 121 Cb 0.61 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 3fbf h VAL 121 CO 0.12 0.10 -0.06 -0.78 0.02 0.00 0.00 177.57 176.97 3fbf h ASP 122 N 0.54 -0.13 0.20 0.57 3.58 -1.28 -2.43 116.42 117.46 3fbf h ASP 122 Ca 0.21 -0.12 -0.05 0.00 0.42 0.00 0.00 57.03 57.49 3fbf h ASP 122 Cb 0.09 0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.16 3fbf h ASP 122 CO -0.13 0.04 -0.23 -0.33 -2.88 0.00 0.00 179.24 175.72 3fbf h GLU 123 N -0.30 0.06 -0.26 0.28 5.08 -0.38 -1.73 114.58 117.34 3fbf h GLU 123 Ca -0.02 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 3fbf h GLU 123 Cb 0.24 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 3fbf h GLU 123 CO 0.03 0.29 -0.09 0.82 -1.00 0.00 0.00 179.01 179.06 3fbf h ILE 124 N 0.06 1.29 -0.45 3.13 2.04 -0.76 -2.53 117.51 120.28 3fbf h ILE 124 Ca 0.01 -1.13 -0.03 0.00 1.00 0.00 0.00 64.86 64.71 3fbf h ILE 124 Cb 0.44 1.50 -0.02 0.00 -0.74 0.00 0.00 36.82 37.99 3fbf h ILE 124 CO 0.03 0.35 0.16 0.77 0.00 0.00 0.00 178.15 179.46 3fbf h SER 125 N 0.25 0.59 -0.69 1.72 4.64 -0.93 0.91 113.55 120.05 3fbf h SER 125 Ca 0.06 -0.07 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 3fbf h SER 125 Cb 0.58 -0.15 -0.03 0.00 -0.31 0.00 0.00 62.40 62.48 3fbf h SER 125 CO 0.03 0.55 0.39 0.40 -0.87 0.00 0.00 176.83 177.32 3fbf h ILE 126 N 0.64 1.21 0.00 0.95 2.04 -1.21 -2.54 117.51 118.60 3fbf h ILE 126 Ca 0.15 -0.51 -0.07 0.00 1.00 0.00 0.00 64.86 65.43 3fbf h ILE 126 Cb 0.16 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.53 3fbf h ILE 126 CO -0.01 0.23 -1.58 0.79 0.00 0.00 0.00 178.15 177.58 3fbf n TRP 127 N -4.51 0.54 -3.20 1.37 7.02 -0.92 -4.58 117.44 113.16 3fbf n TRP 127 Ca 0.06 0.17 -0.23 0.00 -1.02 0.00 0.00 57.50 56.47 3fbf n TRP 127 Cb 0.08 -0.83 -0.06 0.00 -2.42 0.00 0.00 31.31 28.08 3fbf n TRP 127 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 3fbf n PHE 128 N -2.58 0.07 0.15 -5.99 3.72 0.31 -4.96 117.46 108.18 3fbf n PHE 128 Ca -0.07 -3.66 0.02 0.00 -0.05 0.00 0.00 57.45 53.70 3fbf n PHE 128 Cb 0.68 -0.38 0.37 0.00 -0.94 0.00 0.00 39.48 39.21 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 3.79 0.13 -1.82 -1.08 0.13 -1.62 -2.48 132.00 129.05 3fbf h PRO 129 Ca 0.09 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 3fbf h PRO 129 Cb 0.88 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.00 3fbf h PRO 129 CO 0.50 0.39 0.00 -0.85 -0.23 0.00 0.00 178.00 177.81 3fbf n GLU 130 N -4.19 0.27 -0.23 0.86 0.00 -1.26 -5.03 120.64 111.06 3fbf n GLU 130 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.15 3fbf n GLU 130 Cb 0.34 -1.36 0.00 0.00 0.00 0.00 0.00 31.44 30.42 3fbf n GLU 130 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54