#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 1.40 -4.19 0.99 4.77 -1.26 -2.78 117.00 115.93 3fbf n LEU 1 Ca 0.00 1.14 -0.11 0.00 -0.03 0.00 0.00 56.01 57.01 3fbf n LEU 1 Cb 0.00 -1.20 -0.10 0.00 -2.33 0.00 0.00 43.42 39.79 3fbf n LEU 1 CO 0.00 -1.39 -0.36 -1.10 -1.33 0.00 0.00 177.39 173.21 3fbf s GLN 2 N -0.48 0.91 0.04 3.23 -0.21 -0.26 -4.83 119.66 118.06 3fbf s GLN 2 Ca 0.72 -1.39 0.09 0.00 0.02 0.00 0.00 55.36 54.80 3fbf s GLN 2 Cb -0.86 -0.18 -0.03 0.00 1.00 0.00 0.00 33.01 32.95 3fbf s GLN 2 CO 0.53 -0.07 -0.26 1.03 -2.12 0.00 0.00 175.29 174.41 3fbf s ARG 3 N -3.87 1.87 0.10 2.91 1.81 -1.26 -1.51 118.95 118.99 3fbf s ARG 3 Ca 0.16 -1.08 0.01 0.00 -1.72 0.00 0.00 55.73 53.11 3fbf s ARG 3 Cb 0.06 -2.01 -0.04 0.00 -0.45 0.00 0.00 34.95 32.51 3fbf s ARG 3 CO -0.02 0.52 -0.06 -0.08 -0.68 0.00 0.00 175.30 174.98 3fbf s THR 4 N -0.79 0.63 -0.20 0.02 -1.32 0.03 -4.74 115.64 109.27 3fbf s THR 4 Ca 0.12 -1.92 -0.08 0.00 -1.21 0.00 0.00 61.69 58.60 3fbf s THR 4 Cb -0.10 -1.69 -0.04 0.00 -1.51 0.00 0.00 72.50 69.16 3fbf s THR 4 CO 0.02 -0.87 0.07 -0.22 -2.21 0.00 0.00 174.62 171.42 3fbf s LEU 5 N -3.03 3.76 -0.05 9.08 2.96 -1.26 -1.50 118.68 128.63 3fbf s LEU 5 Ca 0.12 0.02 0.04 0.00 -0.22 0.00 0.00 54.13 54.09 3fbf s LEU 5 Cb 0.06 -1.97 -0.03 0.00 0.50 0.00 0.00 46.19 44.75 3fbf s LEU 5 CO -0.05 0.12 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.26 3fbf s VAL 6 N 0.69 2.95 -0.13 1.68 1.01 0.35 -2.11 120.40 124.85 3fbf s VAL 6 Ca 0.04 -0.76 0.02 0.00 0.00 0.00 0.00 61.98 61.27 3fbf s VAL 6 Cb -0.13 -2.14 -0.00 0.00 0.00 0.00 0.00 36.38 34.10 3fbf s VAL 6 CO 0.02 0.59 -0.20 -0.76 0.00 0.00 0.00 175.10 174.75 3fbf s LEU 7 N -0.71 2.27 -0.33 3.92 1.43 0.12 -0.63 118.68 124.75 3fbf s LEU 7 Ca 0.11 -0.52 -0.22 0.00 -1.03 0.00 0.00 54.13 52.48 3fbf s LEU 7 Cb -0.11 -1.48 -0.00 0.00 0.03 0.00 0.00 46.19 44.63 3fbf s LEU 7 CO 0.00 0.12 0.71 -0.63 0.23 0.00 0.00 176.35 176.79 3fbf s ILE 8 N 0.56 4.84 0.68 -0.59 -1.09 -0.28 -0.12 121.20 125.21 3fbf s ILE 8 Ca -0.12 0.89 -0.10 0.00 -2.23 0.00 0.00 60.65 59.10 3fbf s ILE 8 Cb -0.16 -4.10 0.01 0.00 -1.58 0.00 0.00 42.46 36.63 3fbf s ILE 8 CO 0.04 -0.27 1.05 -0.54 -1.23 0.00 0.00 174.94 173.98 3fbf s LYS 9 N 2.83 2.86 0.54 2.79 1.02 0.39 -2.09 119.74 128.08 3fbf s LYS 9 Ca 0.28 0.33 0.23 0.00 0.02 0.00 0.00 55.97 56.83 3fbf s LYS 9 Cb -0.14 -2.09 1.39 0.00 -0.52 0.00 0.00 37.83 36.47 3fbf s LYS 9 CO 0.14 -0.95 2.06 -1.35 -0.92 0.00 0.00 175.35 174.32 3fbf h PRO 10 N -0.53 0.00 -0.08 -1.68 0.11 -1.83 -0.79 132.00 127.21 3fbf h PRO 10 Ca -0.45 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.59 3fbf h PRO 10 Cb 1.26 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 3fbf h PRO 10 CO 0.63 0.00 -0.25 0.38 -0.21 0.00 0.00 178.00 178.55 3fbf h ASP 11 N 0.00 0.13 -0.29 -2.05 2.03 -1.90 -1.45 116.42 112.89 3fbf h ASP 11 Ca 0.15 -0.04 -0.05 0.00 -0.73 0.00 0.00 57.03 56.36 3fbf h ASP 11 Cb 0.62 -0.03 -0.02 0.00 -0.83 0.00 0.00 39.33 39.06 3fbf h ASP 11 CO -0.00 0.39 0.02 0.00 -1.03 0.00 0.00 179.24 178.62 3fbf h ALA 12 N 1.62 1.31 -0.06 4.15 0.00 -1.39 -0.32 119.26 124.57 3fbf h ALA 12 Ca 0.02 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 3fbf h ALA 12 Cb 0.52 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3fbf h ALA 12 CO 0.04 0.48 -0.23 0.74 0.00 0.00 0.00 179.25 180.27 3fbf h PHE 13 N 0.58 0.34 -0.90 0.00 -1.00 -1.39 0.15 116.94 114.72 3fbf h PHE 13 Ca 0.12 -0.14 0.09 0.00 2.81 0.00 0.00 57.97 60.85 3fbf h PHE 13 Cb 0.34 -0.06 -0.06 0.00 3.61 0.00 0.00 35.95 39.78 3fbf h PHE 13 CO 0.01 0.85 0.58 1.49 -1.61 0.00 0.00 178.31 179.64 3fbf h GLU 14 N -0.27 0.91 -0.36 1.51 4.22 -1.18 -2.49 114.58 116.93 3fbf h GLU 14 Ca -0.01 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.37 3fbf h GLU 14 Cb 0.87 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.92 3fbf h GLU 14 CO 0.05 0.60 0.00 0.54 -2.18 0.00 0.00 179.01 178.02 3fbf n ARG 15 N -4.52 2.47 -3.51 1.92 1.74 -0.14 -4.98 116.66 109.64 3fbf n ARG 15 Ca 0.15 -2.21 -0.24 0.00 -0.77 0.00 0.00 57.85 54.77 3fbf n ARG 15 Cb 0.27 -1.51 0.07 0.00 -1.02 0.00 0.00 32.46 30.27 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 1.44 -6.27 -0.73 0.55 7.64 -0.26 -4.90 113.62 111.10 3fbf n SER 16 Ca 0.19 -0.51 0.07 0.00 1.01 0.00 0.00 58.87 59.63 3fbf n SER 16 Cb 0.60 -4.95 0.19 0.00 -1.01 0.00 0.00 64.21 59.03 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 -4.82 3.24 0.10 -3.43 4.77 0.36 -4.64 117.00 112.58 3fbf n LEU 17 Ca -0.01 -2.32 -0.12 0.00 -0.03 0.00 0.00 56.01 53.53 3fbf n LEU 17 Cb 0.57 -0.33 -0.05 0.00 -2.33 0.00 0.00 43.42 41.27 3fbf n LEU 17 CO 0.62 0.71 0.69 0.58 -1.33 0.00 0.00 177.39 178.67 3fbf h VAL 18 N 1.97 0.42 -0.34 4.08 2.07 -1.90 0.10 116.25 122.67 3fbf h VAL 18 Ca 0.00 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.43 3fbf h VAL 18 Cb 0.96 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 3fbf h VAL 18 CO 0.07 0.00 -0.17 0.00 0.02 0.00 0.00 177.57 177.50 3fbf h ALA 19 N 0.31 1.08 0.08 1.67 0.00 -1.93 -1.35 119.26 119.13 3fbf h ALA 19 Ca 0.04 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 3fbf h ALA 19 Cb 0.49 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3fbf h ALA 19 CO -0.17 0.56 -0.04 1.49 0.00 0.00 0.00 179.25 181.09 3fbf h GLU 20 N 0.55 -0.10 0.59 0.00 4.57 -1.76 0.12 114.58 118.54 3fbf h GLU 20 Ca 0.09 0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.25 3fbf h GLU 20 Cb 0.60 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.21 3fbf h GLU 20 CO 0.04 -0.07 -0.34 0.82 -1.18 0.00 0.00 179.01 178.28 3fbf h ILE 21 N -0.11 0.30 -0.44 2.32 2.04 -0.76 -2.63 117.51 118.23 3fbf h ILE 21 Ca -0.01 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.91 3fbf h ILE 21 Cb 0.08 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 36.44 3fbf h ILE 21 CO 0.02 0.00 0.30 0.24 0.00 0.00 0.00 178.15 178.71 3fbf h MET 22 N -0.87 0.32 -0.60 2.37 2.86 -1.21 -2.05 114.93 115.75 3fbf h MET 22 Ca -0.07 -0.02 -0.08 0.00 -2.06 0.00 0.00 59.70 57.47 3fbf h MET 22 Cb 0.70 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.26 3fbf h MET 22 CO 0.09 0.21 0.07 0.78 1.06 0.00 0.00 176.91 179.12 3fbf h GLY 23 N 0.33 1.06 1.29 8.32 0.00 -0.52 0.39 103.07 113.94 3fbf h GLY 23 Ca 0.20 -0.71 -0.09 0.00 0.00 0.00 0.00 47.33 46.73 3fbf h GLY 23 CO -0.04 0.65 -0.07 3.21 0.00 0.00 0.00 176.54 180.29 3fbf h ARG 24 N 0.92 0.85 -0.09 4.80 3.08 -1.01 0.29 114.38 123.23 3fbf h ARG 24 Ca 0.18 -0.27 -0.16 0.00 0.07 0.00 0.00 59.98 59.80 3fbf h ARG 24 Cb 0.44 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 3fbf h ARG 24 CO 0.01 0.89 -0.65 0.82 -1.07 0.00 0.00 179.97 179.97 3fbf h ILE 25 N 0.77 1.38 -0.37 2.04 2.04 -1.34 -3.07 117.51 118.96 3fbf h ILE 25 Ca 0.14 -2.04 -0.15 0.00 1.00 0.00 0.00 64.86 63.81 3fbf h ILE 25 Cb 0.56 2.03 -0.01 0.00 -0.74 0.00 0.00 36.82 38.66 3fbf h ILE 25 CO 0.03 0.61 -0.35 -0.08 0.00 0.00 0.00 178.15 178.37 3fbf h GLU 26 N 0.25 0.84 0.00 2.37 4.81 -0.27 -3.04 114.58 119.55 3fbf h GLU 26 Ca -0.01 -0.42 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 3fbf h GLU 26 Cb 1.19 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.58 3fbf h GLU 26 CO 0.11 1.06 0.00 0.87 -0.73 0.00 0.00 179.01 180.31 3fbf h LYS 27 N 0.70 0.00 -0.36 1.92 1.57 -0.42 -1.63 116.57 118.35 3fbf h LYS 27 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3fbf h LYS 27 Cb 0.91 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.22 3fbf h LYS 27 CO 0.08 0.00 0.00 1.17 -0.57 0.00 0.00 179.45 180.13 3fbf n LYS 28 N -2.56 1.97 -1.92 3.15 4.81 -1.16 -4.94 118.16 117.51 3fbf n LYS 28 Ca 0.02 -1.49 -0.01 0.00 -0.87 0.00 0.00 58.31 55.96 3fbf n LYS 28 Cb 0.30 -1.37 -0.00 0.00 0.02 0.00 0.00 35.03 33.98 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 0.70 -1.47 -4.88 3.14 4.05 -0.61 -5.06 115.26 111.13 3fbf n ASN 29 Ca 0.15 0.00 -0.33 0.00 0.45 0.00 0.00 54.58 54.85 3fbf n ASN 29 Cb 0.37 -0.75 -0.05 0.00 1.23 0.00 0.00 39.78 40.58 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 -2.06 3.54 0.02 1.20 0.40 -1.16 -4.89 117.98 115.02 3fbf s PHE 30 Ca 0.00 0.74 0.04 0.00 -0.60 0.00 0.00 56.93 57.11 3fbf s PHE 30 Cb 0.00 -2.13 -0.03 0.00 0.51 0.00 0.00 43.02 41.37 3fbf s PHE 30 CO 0.00 0.47 -0.09 0.15 0.70 0.00 0.00 175.22 176.44 3fbf s LYS 31 N -2.21 2.42 -0.17 0.44 -0.14 -0.45 -4.59 119.74 115.05 3fbf s LYS 31 Ca 0.37 -0.80 -0.29 0.00 -1.36 0.00 0.00 55.97 53.89 3fbf s LYS 31 Cb -0.13 -2.42 -0.01 0.00 -1.68 0.00 0.00 37.83 33.59 3fbf s LYS 31 CO 0.20 0.58 1.11 0.42 -0.76 0.00 0.00 175.35 176.90 3fbf s ILE 32 N -0.99 4.56 -0.25 2.17 1.01 -1.26 -0.22 121.20 126.20 3fbf s ILE 32 Ca 0.17 1.86 -0.07 0.00 0.00 0.00 0.00 60.65 62.61 3fbf s ILE 32 Cb -0.11 -4.20 -0.16 0.00 0.01 0.00 0.00 42.46 38.00 3fbf s ILE 32 CO 0.07 -0.11 -0.20 0.52 0.00 0.00 0.00 174.94 175.23 3fbf n VAL 33 N 5.09 1.53 -4.15 2.92 0.31 0.83 -4.95 118.33 119.90 3fbf n VAL 33 Ca 0.12 -0.46 -0.10 0.00 -0.01 0.00 0.00 64.34 63.88 3fbf n VAL 33 Cb 0.46 -1.68 -0.10 0.00 -0.91 0.00 0.00 33.84 31.61 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 -6.99 0.97 -0.28 4.52 0.01 -1.19 -4.98 113.70 105.75 3fbf s SER 34 Ca -0.35 -1.02 -0.23 0.00 1.31 0.00 0.00 55.95 55.66 3fbf s SER 34 Cb 0.11 0.13 0.11 0.00 0.21 0.00 0.00 66.02 66.58 3fbf s SER 34 CO 0.57 -0.51 0.95 -0.32 0.41 0.00 0.00 173.24 174.33 3fbf s MET 35 N -3.86 0.55 -0.02 12.44 0.00 -1.26 -1.31 119.30 125.84 3fbf s MET 35 Ca 0.12 0.72 0.01 0.00 0.00 0.00 0.00 55.69 56.54 3fbf s MET 35 Cb 0.06 0.23 0.01 0.00 0.00 0.00 0.00 34.83 35.13 3fbf s MET 35 CO -0.05 -0.08 -0.03 0.15 0.00 0.00 0.00 175.02 175.01 3fbf s LYS 36 N 0.56 0.41 -0.23 4.11 1.02 -0.10 -5.00 119.74 120.52 3fbf s LYS 36 Ca -0.01 -0.08 -0.10 0.00 0.02 0.00 0.00 55.97 55.80 3fbf s LYS 36 Cb -0.05 -0.46 -0.05 0.00 -0.52 0.00 0.00 37.83 36.76 3fbf s LYS 36 CO -0.08 0.00 0.16 0.12 -0.92 0.00 0.00 175.35 174.63 3fbf s PHE 37 N 0.37 3.35 -0.27 3.18 5.36 -1.26 -1.29 117.98 127.41 3fbf s PHE 37 Ca -0.04 0.27 -0.01 0.00 -0.96 0.00 0.00 56.93 56.20 3fbf s PHE 37 Cb -0.07 -2.24 0.04 0.00 -0.34 0.00 0.00 43.02 40.41 3fbf s PHE 37 CO -0.01 0.14 -0.05 -1.58 -1.46 0.00 0.00 175.22 172.26 3fbf s TRP 38 N 0.84 3.19 0.40 10.12 0.52 -0.34 -4.97 118.94 128.68 3fbf s TRP 38 Ca 0.08 -1.87 0.06 0.00 0.02 0.00 0.00 56.10 54.39 3fbf s TRP 38 Cb -0.13 -2.05 0.81 0.00 -1.15 0.00 0.00 33.47 30.95 3fbf s TRP 38 CO 0.03 -0.80 2.03 0.66 0.02 0.00 0.00 176.95 178.88 3fbf h SER 39 N 7.95 0.49 -2.92 2.95 4.64 -1.91 -1.48 113.55 123.27 3fbf h SER 39 Ca -0.25 -0.02 -0.19 0.00 -0.47 0.00 0.00 61.79 60.86 3fbf h SER 39 Cb 1.07 -0.12 -0.31 0.00 -0.31 0.00 0.00 62.40 62.73 3fbf h SER 39 CO 0.53 0.39 -0.49 -0.75 -0.87 0.00 0.00 176.83 175.64 3fbf s LYS 40 N -5.43 0.20 0.17 4.77 2.20 -1.26 -2.89 119.74 117.49 3fbf s LYS 40 Ca -0.08 0.76 -0.30 0.00 -0.36 0.00 0.00 55.97 55.99 3fbf s LYS 40 Cb 0.17 0.01 -0.07 0.00 -1.51 0.00 0.00 37.83 36.42 3fbf s LYS 40 CO 0.74 -0.25 1.09 0.00 -0.36 0.00 0.00 175.35 176.56 3fbf s ALA 41 N 2.19 3.36 0.35 3.13 0.00 -1.26 -4.99 121.76 124.53 3fbf s ALA 41 Ca -0.02 0.79 -0.27 0.00 0.00 0.00 0.00 51.96 52.46 3fbf s ALA 41 Cb -0.12 -3.35 -0.12 0.00 0.00 0.00 0.00 23.12 19.54 3fbf s ALA 41 CO -0.09 -0.20 1.19 -2.30 0.00 0.00 0.00 175.76 174.36 3fbf n PRO 42 N 2.48 1.84 -0.04 0.00 -0.02 -1.26 -4.88 135.00 133.12 3fbf n PRO 42 Ca 0.03 0.65 -0.02 0.00 -2.02 0.00 0.00 63.50 62.13 3fbf n PRO 42 Cb 0.46 -2.20 0.23 0.00 -0.02 0.00 0.00 33.50 31.98 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 2.23 0.61 0.00 -0.52 2.43 -1.98 -2.88 114.38 114.27 3fbf h ARG 43 Ca -0.45 -0.16 -0.09 0.00 -0.81 0.00 0.00 59.98 58.47 3fbf h ARG 43 Cb 1.30 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.77 3fbf h ARG 43 CO 0.61 0.67 -0.44 -2.95 -1.51 0.00 0.00 179.97 176.34 3fbf h ASN 44 N 0.57 0.00 -0.12 -3.80 -1.07 -1.98 0.81 115.58 109.99 3fbf h ASN 44 Ca 0.11 0.00 -0.00 0.00 0.07 0.00 0.00 56.30 56.48 3fbf h ASN 44 Cb 0.44 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.69 3fbf h ASN 44 CO 0.02 0.44 0.06 -0.07 0.07 0.00 0.00 177.43 177.95 3fbf h LEU 45 N 0.00 0.15 -0.54 6.14 4.07 -1.89 0.22 115.31 123.46 3fbf h LEU 45 Ca -0.00 -0.11 0.04 0.00 0.08 0.00 0.00 57.88 57.88 3fbf h LEU 45 Cb 0.81 -0.04 -0.04 0.00 1.08 0.00 0.00 40.66 42.47 3fbf h LEU 45 CO 0.06 0.22 0.30 0.40 -1.08 0.00 0.00 178.44 178.34 3fbf h ILE 46 N 0.07 1.00 -0.43 1.22 1.08 -1.35 -0.09 117.51 119.01 3fbf h ILE 46 Ca 0.04 -0.20 -0.07 0.00 -0.39 0.00 0.00 64.86 64.24 3fbf h ILE 46 Cb 0.11 0.37 -0.02 0.00 -3.07 0.00 0.00 36.82 34.21 3fbf h ILE 46 CO -0.01 0.11 0.01 -0.33 -0.69 0.00 0.00 178.15 177.24 3fbf h GLU 47 N 0.58 0.75 0.04 2.37 5.08 -0.58 -1.08 114.58 121.75 3fbf h GLU 47 Ca 0.23 -0.23 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3fbf h GLU 47 Cb 0.09 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 3fbf h GLU 47 CO -0.13 0.82 -0.10 1.96 -1.00 0.00 0.00 179.01 180.56 3fbf h GLN 48 N 0.59 -0.19 -0.61 2.33 4.20 -0.47 0.03 115.11 120.98 3fbf h GLN 48 Ca 0.12 0.01 0.13 0.00 0.06 0.00 0.00 58.65 58.98 3fbf h GLN 48 Cb 0.48 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.26 3fbf h GLN 48 CO 0.02 -0.12 0.42 1.25 -0.67 0.00 0.00 178.83 179.73 3fbf h HIS 49 N -0.19 0.29 -0.31 2.96 2.76 -0.69 0.62 115.15 120.59 3fbf h HIS 49 Ca 0.03 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.20 3fbf h HIS 49 Cb 0.22 -0.09 -0.00 0.00 1.55 0.00 0.00 27.41 29.08 3fbf h HIS 49 CO -0.15 0.12 0.00 0.66 -1.30 0.00 0.00 177.93 177.27 3fbf n TYR 50 N -4.44 1.14 -0.35 5.26 0.53 -0.44 -4.76 117.16 114.09 3fbf n TYR 50 Ca 0.11 -0.87 0.07 0.00 -1.02 0.00 0.00 57.90 56.18 3fbf n TYR 50 Cb 0.50 -0.35 0.24 0.00 -1.03 0.00 0.00 39.34 38.70 3fbf n TYR 50 CO 0.00 0.00 0.00 1.57 -1.02 0.00 0.00 176.86 177.41 3fbf h LYS 51 N 2.12 0.97 0.00 -0.72 2.10 0.12 0.66 116.57 121.82 3fbf h LYS 51 Ca 0.01 -0.06 0.00 0.00 -2.00 0.00 0.00 60.65 58.60 3fbf h LYS 51 Cb 1.54 -0.22 0.00 0.00 -0.90 0.00 0.00 32.23 32.65 3fbf h LYS 51 CO 0.27 0.64 0.02 0.39 -2.00 0.00 0.00 179.45 178.78 3fbf n GLU 52 N -4.59 0.00 -0.00 0.07 1.02 -1.26 -1.30 120.64 114.57 3fbf n GLU 52 Ca 0.18 0.24 0.04 0.00 -0.02 0.00 0.00 57.16 57.61 3fbf n GLU 52 Cb 0.33 -1.52 0.04 0.00 -0.02 0.00 0.00 31.44 30.27 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 -1.22 0.00 0.31 -0.32 8.25 0.23 -4.76 115.22 117.72 3fbf n HIS 53 Ca 0.00 -0.00 0.18 0.00 -0.26 0.00 0.00 57.72 57.64 3fbf n HIS 53 Cb 0.02 -0.00 1.04 0.00 1.12 0.00 0.00 29.99 32.17 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 1.73 0.00 0.38 0.41 4.64 -1.20 -2.28 113.55 117.23 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 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 3fbf h SER 54 CO 0.00 0.00 -0.70 -0.62 -0.87 0.00 0.00 176.83 174.65 3fbf n GLU 55 N -3.54 0.05 -1.31 4.77 -0.58 -1.26 -4.89 120.64 113.88 3fbf n GLU 55 Ca -0.03 0.00 -0.32 0.00 -0.42 0.00 0.00 57.16 56.40 3fbf n GLU 55 Cb 0.08 -1.52 0.09 0.00 -0.57 0.00 0.00 31.44 29.52 3fbf n GLU 55 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 3fbf s GLN 56 N -3.03 2.23 0.21 3.49 -1.52 -0.86 -4.94 119.66 115.24 3fbf s GLN 56 Ca 0.09 1.28 -0.06 0.00 -1.95 0.00 0.00 55.36 54.72 3fbf s GLN 56 Cb 0.17 -1.89 0.17 0.00 -0.22 0.00 0.00 33.01 31.24 3fbf s GLN 56 CO 0.76 -1.68 1.66 0.66 -0.25 0.00 0.00 175.29 176.44 3fbf h SER 57 N -0.94 0.89 0.42 5.90 4.64 -1.92 -3.05 113.55 119.50 3fbf h SER 57 Ca -0.44 -0.27 0.00 0.00 -0.47 0.00 0.00 61.79 60.61 3fbf h SER 57 Cb 1.24 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 3fbf h SER 57 CO 0.51 1.00 0.00 0.00 -0.87 0.00 0.00 176.83 177.47 3fbf n TYR 58 N -4.16 0.00 -0.21 4.77 0.18 -1.26 -4.31 117.16 112.16 3fbf n TYR 58 Ca 0.02 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.80 3fbf n TYR 58 Cb 0.37 -0.30 0.12 0.00 -0.38 0.00 0.00 39.34 39.14 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 0.46 -0.13 -3.48 3.04 -1.77 -1.49 116.94 113.56 3fbf h PHE 59 Ca 0.00 0.03 -0.08 0.00 3.98 0.00 0.00 57.97 61.90 3fbf h PHE 59 Cb 0.21 -0.11 -0.00 0.00 2.56 0.00 0.00 35.95 38.61 3fbf h PHE 59 CO 0.00 0.13 -0.23 -0.91 -2.02 0.00 0.00 178.31 175.29 3fbf h ASN 60 N 0.46 0.43 -0.69 0.41 2.35 -1.85 -2.53 115.58 114.17 3fbf h ASN 60 Ca 0.32 -0.54 -0.04 0.00 -0.55 0.00 0.00 56.30 55.49 3fbf h ASN 60 Cb 0.38 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.59 3fbf h ASN 60 CO -0.30 0.89 0.30 0.44 -1.65 0.00 0.00 177.43 177.11 3fbf h ASP 61 N -0.01 0.95 -0.17 5.81 3.32 -1.82 -0.01 116.42 124.49 3fbf h ASP 61 Ca 0.01 -0.13 0.01 0.00 0.02 0.00 0.00 57.03 56.94 3fbf h ASP 61 Cb 0.80 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.10 3fbf h ASP 61 CO 0.05 0.83 0.07 0.25 -1.72 0.00 0.00 179.24 178.73 3fbf h LEU 62 N 1.02 0.10 -0.97 1.55 5.85 -1.26 0.49 115.31 122.07 3fbf h LEU 62 Ca 0.24 0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.90 3fbf h LEU 62 Cb 0.17 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 3fbf h LEU 62 CO -0.02 0.08 -0.05 0.00 -0.34 0.00 0.00 178.44 178.11 3fbf h ASP 64 N 0.64 0.73 -0.45 0.00 3.32 -0.63 -2.59 116.42 117.43 3fbf h ASP 64 Ca 0.12 -0.36 0.01 0.00 0.02 0.00 0.00 57.03 56.82 3fbf h ASP 64 Cb 0.47 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.79 3fbf h ASP 64 CO 0.02 0.92 0.28 0.15 -1.72 0.00 0.00 179.24 178.90 3fbf h PHE 65 N 0.52 0.53 0.00 4.55 3.04 -0.67 -2.19 116.94 122.72 3fbf h PHE 65 Ca 0.09 0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.06 3fbf h PHE 65 Cb 0.61 -0.17 0.00 0.00 2.56 0.00 0.00 35.95 38.95 3fbf h PHE 65 CO 0.05 0.32 0.00 -1.33 -2.02 0.00 0.00 178.31 175.33 3fbf n MET 66 N -4.81 0.11 -0.06 1.11 2.81 -0.34 -1.00 117.12 114.94 3fbf n MET 66 Ca 0.02 0.43 0.07 0.00 -1.81 0.00 0.00 57.70 56.41 3fbf n MET 66 Cb 0.05 -1.75 0.10 0.00 -0.71 0.00 0.00 33.22 30.90 3fbf n MET 66 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 3fbf n VAL 67 N -1.97 0.29 1.41 2.03 0.31 -0.92 -4.55 118.33 114.93 3fbf n VAL 67 Ca 0.02 -0.64 0.14 0.00 -0.01 0.00 0.00 64.34 63.84 3fbf n VAL 67 Cb 0.15 1.07 0.63 0.00 -0.91 0.00 0.00 33.84 34.78 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 0.80 0.40 -2.05 4.52 3.41 -0.17 -4.83 113.62 115.71 3fbf n SER 68 Ca 0.10 -0.52 -0.01 0.00 -0.26 0.00 0.00 58.87 58.17 3fbf n SER 68 Cb 0.39 -0.10 0.01 0.00 -0.26 0.00 0.00 64.21 64.25 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 1.28 1.00 3.72 5.00 0.00 -1.26 -5.07 105.19 109.85 3fbf n GLY 69 Ca 0.14 -1.03 -0.35 0.00 0.00 0.00 0.00 46.02 44.78 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 -2.02 2.13 0.09 1.61 0.02 -1.14 -4.57 135.00 131.12 3fbf s PRO 70 Ca 0.10 1.89 0.02 0.00 0.02 0.00 0.00 61.00 63.03 3fbf s PRO 70 Cb -0.01 -1.82 -0.04 0.00 0.02 0.00 0.00 34.50 32.65 3fbf s PRO 70 CO 0.03 -1.87 -0.07 0.96 -0.33 0.00 0.00 177.00 175.72 3fbf s ILE 71 N -1.79 0.67 -0.09 2.83 -4.36 -0.56 -3.00 121.20 114.91 3fbf s ILE 71 Ca 0.77 -1.81 0.04 0.00 -0.26 0.00 0.00 60.65 59.40 3fbf s ILE 71 Cb -0.33 -1.52 -0.00 0.00 1.25 0.00 0.00 42.46 41.86 3fbf s ILE 71 CO 0.45 -0.80 -0.24 -0.63 0.24 0.00 0.00 174.94 173.96 3fbf s ILE 72 N -3.28 2.04 -0.16 8.37 1.01 -0.89 -1.20 121.20 127.09 3fbf s ILE 72 Ca 0.09 -1.02 -0.06 0.00 0.00 0.00 0.00 60.65 59.66 3fbf s ILE 72 Cb 0.03 -1.75 -0.04 0.00 0.01 0.00 0.00 42.46 40.71 3fbf s ILE 72 CO -0.04 0.56 0.05 -0.94 0.00 0.00 0.00 174.94 174.57 3fbf s SER 73 N 0.25 5.58 -0.01 3.58 1.04 -0.41 -1.12 113.70 122.60 3fbf s SER 73 Ca -0.16 0.12 0.02 0.00 0.48 0.00 0.00 55.95 56.40 3fbf s SER 73 Cb -0.17 -1.88 0.00 0.00 0.10 0.00 0.00 66.02 64.07 3fbf s SER 73 CO 0.08 0.23 -0.05 -0.63 0.98 0.00 0.00 173.24 173.85 3fbf s ILE 74 N 0.01 0.46 -0.34 -1.02 1.01 0.20 -0.92 121.20 120.60 3fbf s ILE 74 Ca 0.05 -0.21 -0.10 0.00 0.00 0.00 0.00 60.65 60.39 3fbf s ILE 74 Cb -0.12 -0.42 0.01 0.00 0.01 0.00 0.00 42.46 41.94 3fbf s ILE 74 CO 0.01 0.15 0.18 -0.69 0.00 0.00 0.00 174.94 174.59 3fbf s VAL 75 N 0.12 4.64 0.02 2.92 1.01 -0.43 -0.50 120.40 128.17 3fbf s VAL 75 Ca -0.01 -0.58 -0.08 0.00 0.00 0.00 0.00 61.98 61.32 3fbf s VAL 75 Cb -0.05 -3.45 -0.05 0.00 0.00 0.00 0.00 36.38 32.83 3fbf s VAL 75 CO -0.00 -0.06 0.30 -0.31 0.00 0.00 0.00 175.10 175.03 3fbf s TYR 76 N 1.60 3.59 -0.05 5.22 1.51 -0.57 -0.12 117.35 128.53 3fbf s TYR 76 Ca 0.04 0.63 0.04 0.00 -1.01 0.00 0.00 57.07 56.78 3fbf s TYR 76 Cb -0.18 -2.04 -0.00 0.00 -0.11 0.00 0.00 41.96 39.63 3fbf s TYR 76 CO 0.07 0.60 -0.18 -2.00 -1.11 0.00 0.00 175.55 172.93 3fbf s GLU 77 N -1.72 1.87 0.00 -0.62 2.12 0.69 -0.79 118.70 120.25 3fbf s GLU 77 Ca 0.28 -0.63 0.00 0.00 0.36 0.00 0.00 54.97 54.97 3fbf s GLU 77 Cb -0.13 -1.61 0.00 0.00 0.26 0.00 0.00 34.13 32.64 3fbf s GLU 77 CO 0.16 0.25 0.00 0.41 -0.54 0.00 0.00 175.26 175.54 3fbf n GLY 78 N 3.15 0.35 3.69 -1.50 0.00 -0.57 -1.34 105.19 108.97 3fbf n GLY 78 Ca -0.18 -0.86 -0.42 0.00 0.00 0.00 0.00 46.02 44.55 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 2.79 -1.68 2.61 2.01 -1.26 -1.10 115.64 117.01 3fbf s THR 79 Ca 0.00 0.23 -0.01 0.00 0.31 0.00 0.00 61.69 62.22 3fbf s THR 79 Cb 0.00 -3.15 0.00 0.00 0.01 0.00 0.00 72.50 69.36 3fbf s THR 79 CO 0.00 -0.00 0.16 -0.67 -0.69 0.00 0.00 174.62 173.42 3fbf n ASP 80 N 5.82 -5.85 -0.32 3.53 4.64 -1.12 -4.87 116.55 118.38 3fbf n ASP 80 Ca 0.17 -0.09 0.00 0.00 -1.38 0.00 0.00 54.79 53.50 3fbf n ASP 80 Cb 0.39 -4.82 0.14 0.00 -1.04 0.00 0.00 41.12 35.80 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 0.97 1.20 0.20 -1.67 0.00 -1.74 -1.06 119.26 117.17 3fbf h ALA 81 Ca -0.49 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 3fbf h ALA 81 Cb 1.36 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3fbf h ALA 81 CO 0.57 0.33 -0.15 0.82 0.00 0.00 0.00 179.25 180.82 3fbf h ILE 82 N 1.03 0.68 -0.17 0.00 2.04 -1.88 -0.95 117.51 118.25 3fbf h ILE 82 Ca 0.37 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 66.16 3fbf h ILE 82 Cb 0.13 0.68 -0.00 0.00 -0.74 0.00 0.00 36.82 36.88 3fbf h ILE 82 CO -0.16 0.00 -0.18 -1.28 0.00 0.00 0.00 178.15 176.53 3fbf h SER 83 N -0.36 0.46 -0.46 1.72 0.87 -1.81 -2.59 113.55 111.38 3fbf h SER 83 Ca -0.01 -0.48 -0.02 0.00 -1.23 0.00 0.00 61.79 60.05 3fbf h SER 83 Cb 0.31 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.12 3fbf h SER 83 CO -0.00 0.85 0.23 0.11 -0.53 0.00 0.00 176.83 177.48 3fbf h LYS 84 N 0.08 0.66 -0.05 2.24 1.79 -1.18 -1.89 116.57 118.22 3fbf h LYS 84 Ca 0.03 -0.09 -0.10 0.00 -2.18 0.00 0.00 60.65 58.31 3fbf h LYS 84 Cb 0.72 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 31.24 3fbf h LYS 84 CO 0.04 0.56 -0.41 0.82 -1.08 0.00 0.00 179.45 179.38 3fbf h ILE 85 N 0.60 1.30 -0.58 1.86 2.04 -1.25 -2.08 117.51 119.40 3fbf h ILE 85 Ca 0.16 -1.47 0.01 0.00 1.00 0.00 0.00 64.86 64.57 3fbf h ILE 85 Cb 0.11 1.73 -0.03 0.00 -0.74 0.00 0.00 36.82 37.88 3fbf h ILE 85 CO -0.02 0.43 0.38 0.03 0.00 0.00 0.00 178.15 178.96 3fbf h ARG 86 N 0.09 0.74 -0.18 2.37 2.47 -1.13 -0.98 114.38 117.77 3fbf h ARG 86 Ca 0.01 -0.04 -0.12 0.00 -1.26 0.00 0.00 59.98 58.57 3fbf h ARG 86 Cb 0.77 -0.17 -0.01 0.00 -1.65 0.00 0.00 29.97 28.91 3fbf h ARG 86 CO 0.06 0.49 -0.39 0.00 0.56 0.00 0.00 179.97 180.69 3fbf h ARG 87 N 0.76 0.39 -0.23 0.04 3.08 -1.14 -1.19 114.38 116.10 3fbf h ARG 87 Ca 0.22 -0.19 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 3fbf h ARG 87 Cb -0.05 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 3fbf h ARG 87 CO -0.06 0.72 0.08 1.25 -1.07 0.00 0.00 179.97 180.89 3fbf h LEU 88 N 0.33 0.33 -0.50 3.04 5.85 -1.13 -2.31 115.31 120.92 3fbf h LEU 88 Ca 0.03 -0.18 0.04 0.00 0.84 0.00 0.00 57.88 58.61 3fbf h LEU 88 Cb 0.83 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.74 3fbf h LEU 88 CO 0.07 0.42 0.25 -0.61 -0.34 0.00 0.00 178.44 178.23 3fbf h GLN 89 N 0.21 0.48 0.00 1.25 4.15 -1.04 0.19 115.11 120.35 3fbf h GLN 89 Ca 0.08 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.47 3fbf h GLN 89 Cb 0.20 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 27.78 3fbf h GLN 89 CO -0.00 0.32 0.00 0.41 -1.93 0.00 0.00 178.83 177.63 3fbf n GLY 90 N -1.25 2.24 3.49 2.39 0.00 -0.46 -1.39 105.19 110.21 3fbf n GLY 90 Ca 0.04 -0.40 -0.09 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.07 0.00 1.61 2.20 -1.26 -4.79 114.94 108.62 3fbf s ASN 91 Ca 0.00 -0.85 0.11 0.00 -0.94 0.00 0.00 52.86 51.18 3fbf s ASN 91 Cb 0.00 0.53 0.63 0.00 -2.00 0.00 0.00 41.25 40.41 3fbf s ASN 91 CO 0.00 -1.04 1.16 2.30 -2.94 0.00 0.00 177.10 176.59 3fbf n ILE 92 N -0.32 0.27 0.88 0.54 -5.35 -1.26 -1.42 119.36 112.70 3fbf n ILE 92 Ca -0.05 0.07 0.10 0.00 -0.27 0.00 0.00 62.75 62.60 3fbf n ILE 92 Cb 0.62 -0.89 -0.10 0.00 -1.74 0.00 0.00 39.64 37.53 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 -1.11 0.85 -4.09 7.28 4.77 -1.26 -4.66 117.00 118.78 3fbf n LEU 93 Ca 0.07 -0.41 -0.35 0.00 -0.03 0.00 0.00 56.01 55.29 3fbf n LEU 93 Cb 0.06 -0.02 -0.11 0.00 -2.33 0.00 0.00 43.42 41.02 3fbf n LEU 93 CO 0.07 0.21 -0.10 -0.89 -1.33 0.00 0.00 177.39 175.35 3fbf s THR 94 N -3.06 3.32 0.40 -5.08 2.01 -0.51 -5.04 115.64 107.68 3fbf s THR 94 Ca 0.06 -2.55 -0.26 0.00 0.31 0.00 0.00 61.69 59.25 3fbf s THR 94 Cb 0.16 -3.24 -0.10 0.00 0.01 0.00 0.00 72.50 69.33 3fbf s THR 94 CO 0.86 -0.77 1.31 -2.65 -0.69 0.00 0.00 174.62 172.69 3fbf n PRO 95 N 4.00 2.07 0.00 4.92 -0.02 -1.26 -2.70 135.00 142.01 3fbf n PRO 95 Ca 0.03 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 3fbf n PRO 95 Cb 0.39 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 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 0.74 2.66 4.00 -1.23 0.00 -1.26 -4.98 105.19 105.12 3fbf n GLY 96 Ca 0.06 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.49 2.71 0.07 2.61 -4.23 -1.10 -4.94 115.64 108.27 3fbf s THR 97 Ca 0.00 -0.85 -0.29 0.00 -1.18 0.00 0.00 61.69 59.36 3fbf s THR 97 Cb 0.00 -2.86 -0.18 0.00 1.34 0.00 0.00 72.50 70.81 3fbf s THR 97 CO 0.00 0.00 1.64 0.40 -0.54 0.00 0.00 174.62 176.12 3fbf h ILE 98 N 0.29 0.58 -0.10 2.99 2.04 -0.64 -1.23 117.51 121.44 3fbf h ILE 98 Ca -0.39 -0.04 -0.11 0.00 1.00 0.00 0.00 64.86 65.32 3fbf h ILE 98 Cb 1.29 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.95 3fbf h ILE 98 CO 0.46 0.01 -0.44 0.03 0.00 0.00 0.00 178.15 178.22 3fbf h ARG 99 N -0.60 0.24 -0.03 2.37 3.08 -1.46 -1.79 114.38 116.18 3fbf h ARG 99 Ca -0.06 -0.12 -0.06 0.00 0.07 0.00 0.00 59.98 59.81 3fbf h ARG 99 Cb 0.46 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 3fbf h ARG 99 CO 0.10 0.64 -0.26 0.78 -1.07 0.00 0.00 179.97 180.15 3fbf h GLY 100 N 1.25 0.06 0.32 0.04 0.00 -1.22 -1.79 103.07 101.73 3fbf h GLY 100 Ca 0.02 -0.04 -0.30 0.00 0.00 0.00 0.00 47.33 47.01 3fbf h GLY 100 CO 0.07 0.04 -2.10 1.22 0.00 0.00 0.00 176.54 175.77 3fbf n ASP 101 N -4.21 0.28 0.00 0.19 8.00 -0.48 -4.46 116.55 115.88 3fbf n ASP 101 Ca -0.02 0.13 0.00 0.00 0.71 0.00 0.00 54.79 55.61 3fbf n ASP 101 Cb 0.33 0.78 0.00 0.00 -0.02 0.00 0.00 41.12 42.20 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 -2.78 0.00 -4.35 0.64 4.77 -0.68 -5.05 117.00 109.54 3fbf n LEU 102 Ca -0.24 -0.43 -0.25 0.00 -0.03 0.00 0.00 56.01 55.05 3fbf n LEU 102 Cb 1.05 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 42.01 3fbf n LEU 102 CO 0.44 0.00 -0.53 0.00 -1.33 0.00 0.00 177.39 175.97 3fbf s ALA 103 N -0.94 2.16 -0.27 -1.18 0.00 -0.67 -5.02 121.76 115.83 3fbf s ALA 103 Ca 0.00 -1.45 0.19 0.00 0.00 0.00 0.00 51.96 50.71 3fbf s ALA 103 Cb 0.00 -0.29 0.47 0.00 0.00 0.00 0.00 23.12 23.30 3fbf s ALA 103 CO 0.00 0.40 1.26 -1.71 0.00 0.00 0.00 175.76 175.70 3fbf n ASN 104 N 0.68 0.50 -3.77 0.00 5.15 -1.26 -4.68 115.26 111.88 3fbf n ASN 104 Ca -0.16 -2.09 -0.13 0.00 -0.60 0.00 0.00 54.58 51.60 3fbf n ASN 104 Cb 0.55 -0.07 -0.09 0.00 -0.53 0.00 0.00 39.78 39.64 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 -0.19 0.29 1.20 -1.08 -1.26 -5.04 116.67 107.77 3fbf s ASP 105 Ca 0.21 0.12 0.04 0.00 -0.52 0.00 0.00 52.55 52.40 3fbf s ASP 105 Cb 0.36 0.34 0.43 0.00 -1.46 0.00 0.00 42.92 42.59 3fbf s ASP 105 CO -0.07 -0.41 1.71 -0.29 0.52 0.00 0.00 175.17 176.62 3fbf h ILE 106 N 3.95 1.28 0.00 4.11 6.09 -2.03 -3.36 117.51 127.55 3fbf h ILE 106 Ca -0.29 -1.39 -0.16 0.00 -1.37 0.00 0.00 64.86 61.65 3fbf h ILE 106 Cb 1.18 1.52 -0.03 0.00 0.47 0.00 0.00 36.82 39.96 3fbf h ILE 106 CO 0.39 0.43 -1.60 -1.14 -3.07 0.00 0.00 178.15 173.15 3fbf n ARG 107 N -4.08 0.40 -2.98 2.19 0.63 -1.26 -4.83 116.66 106.74 3fbf n ARG 107 Ca -0.01 0.06 -0.44 0.00 -0.92 0.00 0.00 57.85 56.54 3fbf n ARG 107 Cb 0.44 -1.21 -0.00 0.00 0.45 0.00 0.00 32.46 32.14 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 -2.21 4.02 -0.15 -0.14 2.02 -1.26 -4.71 118.70 116.27 3fbf s GLU 108 Ca -0.14 -2.50 0.15 0.00 0.02 0.00 0.00 54.97 52.50 3fbf s GLU 108 Cb 0.04 -5.00 0.41 0.00 0.10 0.00 0.00 34.13 29.68 3fbf s GLU 108 CO 0.25 -1.73 1.20 0.27 0.02 0.00 0.00 175.26 175.28 3fbf n ASN 109 N 5.56 1.54 0.00 -0.19 0.23 -1.26 -4.18 115.26 116.95 3fbf n ASN 109 Ca 0.34 -3.37 0.00 0.00 -0.53 0.00 0.00 54.58 51.02 3fbf n ASN 109 Cb 0.44 -0.46 0.00 0.00 -2.08 0.00 0.00 39.78 37.67 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 -0.72 0.00 -3.80 -4.53 4.77 -1.26 -4.77 117.00 106.68 3fbf n LEU 110 Ca 0.15 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 56.01 3fbf n LEU 110 Cb 0.80 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.78 3fbf n LEU 110 CO -0.04 0.00 -0.11 -0.51 -1.33 0.00 0.00 177.39 175.40 3fbf s ILE 111 N 0.00 0.01 -0.06 -0.08 2.07 -1.26 -0.46 121.20 121.43 3fbf s ILE 111 Ca 0.00 -0.12 0.03 0.00 -1.41 0.00 0.00 60.65 59.15 3fbf s ILE 111 Cb 0.00 -0.36 -0.03 0.00 0.13 0.00 0.00 42.46 42.21 3fbf s ILE 111 CO 0.00 -0.07 -0.14 -2.28 -1.91 0.00 0.00 174.94 170.55 3fbf s HIS 112 N -0.17 2.73 -0.01 3.50 5.65 0.83 -4.95 115.29 122.86 3fbf s HIS 112 Ca -0.03 -0.18 0.03 0.00 0.25 0.00 0.00 55.06 55.13 3fbf s HIS 112 Cb -0.03 -1.65 -0.00 0.00 -1.18 0.00 0.00 32.58 29.72 3fbf s HIS 112 CO 0.01 0.17 -0.09 0.00 -0.65 0.00 0.00 174.74 174.18 3fbf s ALA 113 N -0.65 0.74 0.43 1.58 0.00 -1.26 -0.70 121.76 121.89 3fbf s ALA 113 Ca 0.10 -0.35 -0.26 0.00 0.00 0.00 0.00 51.96 51.45 3fbf s ALA 113 Cb -0.11 -0.22 -0.09 0.00 0.00 0.00 0.00 23.12 22.70 3fbf s ALA 113 CO 0.01 0.16 1.36 0.43 0.00 0.00 0.00 175.76 177.73 3fbf n SER 114 N 2.99 3.02 -0.73 0.00 7.64 -0.89 -4.93 113.62 120.72 3fbf n SER 114 Ca -0.15 1.13 0.08 0.00 1.01 0.00 0.00 58.87 60.94 3fbf n SER 114 Cb 0.56 -1.56 0.11 0.00 -1.01 0.00 0.00 64.21 62.32 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 0.09 2.65 -3.69 6.43 5.75 -1.26 -4.69 116.55 121.83 3fbf n ASP 115 Ca 0.05 -1.77 -0.06 0.00 -0.01 0.00 0.00 54.79 53.00 3fbf n ASP 115 Cb 0.40 -0.10 -0.01 0.00 -1.03 0.00 0.00 41.12 40.38 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 -1.24 -0.19 0.19 -1.12 1.04 -1.26 -4.96 113.70 106.15 3fbf s SER 116 Ca 0.23 -0.63 -0.10 0.00 0.48 0.00 0.00 55.95 55.93 3fbf s SER 116 Cb 0.15 0.67 0.11 0.00 0.10 0.00 0.00 66.02 67.05 3fbf s SER 116 CO 0.21 -1.26 1.74 -0.33 0.98 0.00 0.00 173.24 174.58 3fbf h GLU 117 N 2.00 1.04 -0.05 4.02 5.08 -1.98 -0.98 114.58 123.71 3fbf h GLU 117 Ca -0.22 -0.20 -0.03 0.00 -1.00 0.00 0.00 59.36 57.90 3fbf h GLU 117 Cb 1.24 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.33 3fbf h GLU 117 CO 0.27 0.88 -0.09 -0.44 -1.00 0.00 0.00 179.01 178.62 3fbf h ASP 118 N 0.98 0.16 -0.11 1.42 3.32 -1.99 -1.58 116.42 118.63 3fbf h ASP 118 Ca 0.22 -0.56 -0.03 0.00 0.02 0.00 0.00 57.03 56.68 3fbf h ASP 118 Cb 0.25 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 3fbf h ASP 118 CO -0.01 0.70 0.00 0.77 -1.72 0.00 0.00 179.24 178.97 3fbf h SER 119 N -0.36 0.28 0.07 6.45 4.64 -1.96 0.12 113.55 122.79 3fbf h SER 119 Ca 0.00 -0.04 -0.00 0.00 -0.47 0.00 0.00 61.79 61.28 3fbf h SER 119 Cb 0.67 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 3fbf h SER 119 CO 0.02 0.33 -0.04 0.00 -0.87 0.00 0.00 176.83 176.28 3fbf h ALA 120 N 1.71 -0.10 -0.55 5.18 0.00 -1.07 0.31 119.26 124.75 3fbf h ALA 120 Ca 0.07 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3fbf h ALA 120 Cb 0.20 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3fbf h ALA 120 CO 0.00 -0.50 0.18 0.28 0.00 0.00 0.00 179.25 179.22 3fbf h VAL 121 N -0.21 1.23 0.30 0.00 2.07 -0.79 -1.13 116.25 117.71 3fbf h VAL 121 Ca -0.01 -0.76 -0.01 0.00 0.82 0.00 0.00 66.70 66.73 3fbf h VAL 121 Cb 0.18 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 3fbf h VAL 121 CO 0.02 0.29 -0.14 -0.78 0.02 0.00 0.00 177.57 176.97 3fbf h ASP 122 N 0.75 -0.34 -0.60 0.57 3.58 -0.70 -2.82 116.42 116.87 3fbf h ASP 122 Ca 0.18 -0.09 -0.02 0.00 0.42 0.00 0.00 57.03 57.52 3fbf h ASP 122 Cb 0.26 0.09 -0.03 0.00 1.72 0.00 0.00 39.33 41.36 3fbf h ASP 122 CO -0.01 -0.12 0.30 -0.33 -2.88 0.00 0.00 179.24 176.21 3fbf h GLU 123 N -0.55 0.89 -0.73 0.28 5.08 -0.29 -2.01 114.58 117.25 3fbf h GLU 123 Ca -0.04 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.20 3fbf h GLU 123 Cb 0.40 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.45 3fbf h GLU 123 CO 0.07 0.69 0.45 0.82 -1.00 0.00 0.00 179.01 180.03 3fbf h ILE 124 N 0.89 1.20 0.00 3.13 2.04 -1.22 -2.61 117.51 120.94 3fbf h ILE 124 Ca 0.22 -0.43 -0.05 0.00 1.00 0.00 0.00 64.86 65.59 3fbf h ILE 124 Cb 0.09 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.35 3fbf h ILE 124 CO -0.03 0.21 -0.25 0.77 0.00 0.00 0.00 178.15 178.85 3fbf h SER 125 N 0.99 0.00 0.18 1.72 4.64 -1.11 0.12 113.55 120.09 3fbf h SER 125 Ca 0.26 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.57 3fbf h SER 125 Cb -0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 3fbf h SER 125 CO -0.05 0.25 -0.09 0.40 -0.87 0.00 0.00 176.83 176.47 3fbf h ILE 126 N 0.00 0.94 0.00 0.95 2.04 -1.09 -2.17 117.51 118.18 3fbf h ILE 126 Ca -0.00 -0.78 0.00 0.00 1.00 0.00 0.00 64.86 65.07 3fbf h ILE 126 Cb 0.62 1.39 0.00 0.00 -0.74 0.00 0.00 36.82 38.09 3fbf h ILE 126 CO 0.03 0.17 -0.32 -0.50 0.00 0.00 0.00 178.15 177.54 3fbf h TRP 127 N -0.64 0.00 -2.03 1.37 4.06 -1.39 -3.36 115.95 113.95 3fbf h TRP 127 Ca -0.02 0.00 -0.52 0.00 2.06 0.00 0.00 58.89 60.40 3fbf h TRP 127 Cb 0.47 0.00 -0.40 0.00 -1.00 0.00 0.00 29.16 28.23 3fbf h TRP 127 CO 0.05 0.00 -1.09 1.19 -3.56 0.00 0.00 178.44 175.03 3fbf n PHE 128 N -2.78 0.48 0.24 0.49 3.72 0.43 -4.93 117.46 115.10 3fbf n PHE 128 Ca 0.03 -3.76 0.08 0.00 -0.05 0.00 0.00 57.45 53.75 3fbf n PHE 128 Cb 0.51 -0.41 0.58 0.00 -0.94 0.00 0.00 39.48 39.22 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 3.42 0.00 -3.32 -1.08 0.13 -1.55 -3.25 132.00 126.36 3fbf h PRO 129 Ca 0.10 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 65.03 3fbf h PRO 129 Cb 0.88 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.01 3fbf h PRO 129 CO 0.53 0.16 1.51 0.39 -0.23 0.00 0.00 178.00 180.36 3fbf n GLU 130 N -4.10 1.21 0.00 0.86 4.71 -1.26 -5.02 120.64 117.04 3fbf n GLU 130 Ca -0.02 -0.91 0.00 0.00 -0.01 0.00 0.00 57.16 56.21 3fbf n GLU 130 Cb 0.24 -2.12 0.00 0.00 -1.01 0.00 0.00 31.44 28.55 3fbf n GLU 130 CO 0.00 0.00 0.00 -2.37 0.09 0.00 0.00 177.13 174.85