#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fbc s LEU 1 N 0.00 4.22 0.16 0.99 2.96 -1.26 -1.89 118.68 123.85 3fbc s LEU 1 Ca 0.00 2.62 -0.07 0.00 -0.22 0.00 0.00 54.13 56.46 3fbc s LEU 1 Cb 0.00 -3.91 -0.02 0.00 0.50 0.00 0.00 46.19 42.77 3fbc s LEU 1 CO 0.00 -0.82 0.24 -1.10 -1.32 0.00 0.00 176.35 173.35 3fbc s GLN 2 N -2.23 1.12 -0.01 1.98 -0.21 -1.04 -4.82 119.66 114.44 3fbc s GLN 2 Ca 0.57 -1.25 0.03 0.00 0.02 0.00 0.00 55.36 54.73 3fbc s GLN 2 Cb -0.37 0.35 -0.01 0.00 1.00 0.00 0.00 33.01 33.98 3fbc s GLN 2 CO 0.48 -0.39 -0.11 1.03 -2.12 0.00 0.00 175.29 174.17 3fbc s ARG 3 N -3.99 0.96 0.06 2.91 0.52 -1.26 -2.40 118.95 115.75 3fbc s ARG 3 Ca 0.19 -0.39 0.01 0.00 -0.52 0.00 0.00 55.73 55.02 3fbc s ARG 3 Cb 0.04 -0.91 -0.04 0.00 0.52 0.00 0.00 34.95 34.56 3fbc s ARG 3 CO 0.01 0.21 -0.05 -0.08 0.02 0.00 0.00 175.30 175.41 3fbc s THR 4 N -0.15 0.43 -0.20 0.02 -1.32 -0.68 -4.70 115.64 109.05 3fbc s THR 4 Ca 0.02 -1.65 -0.08 0.00 -1.21 0.00 0.00 61.69 58.78 3fbc s THR 4 Cb -0.06 -1.30 -0.04 0.00 -1.51 0.00 0.00 72.50 69.59 3fbc s THR 4 CO -0.00 -0.80 0.08 -0.22 -2.21 0.00 0.00 174.62 171.46 3fbc s LEU 5 N -2.60 3.86 -0.07 9.08 2.96 -1.26 -1.12 118.68 129.53 3fbc s LEU 5 Ca 0.04 0.08 0.06 0.00 -0.22 0.00 0.00 54.13 54.08 3fbc s LEU 5 Cb 0.02 -1.99 -0.01 0.00 0.50 0.00 0.00 46.19 44.72 3fbc s LEU 5 CO -0.05 0.15 -0.24 -0.69 -1.32 0.00 0.00 176.35 174.19 3fbc s VAL 6 N 0.54 2.00 -0.19 1.68 1.01 0.63 -2.36 120.40 123.71 3fbc s VAL 6 Ca 0.04 -1.02 -0.03 0.00 0.00 0.00 0.00 61.98 60.97 3fbc s VAL 6 Cb -0.13 -1.70 -0.01 0.00 0.00 0.00 0.00 36.38 34.54 3fbc s VAL 6 CO 0.01 0.55 -0.06 -0.76 0.00 0.00 0.00 175.10 174.84 3fbc s LEU 7 N -0.04 2.93 -0.31 3.92 1.43 -0.04 -0.38 118.68 126.19 3fbc s LEU 7 Ca -0.07 -0.33 -0.24 0.00 -1.03 0.00 0.00 54.13 52.46 3fbc s LEU 7 Cb -0.14 -1.72 0.00 0.00 0.03 0.00 0.00 46.19 44.36 3fbc s LEU 7 CO 0.05 0.06 0.84 -0.63 0.23 0.00 0.00 176.35 176.89 3fbc s ILE 8 N 1.02 4.74 0.72 -0.59 -1.09 -0.24 -0.92 121.20 124.83 3fbc s ILE 8 Ca 0.00 1.29 -0.09 0.00 -2.23 0.00 0.00 60.65 59.62 3fbc s ILE 8 Cb -0.15 -4.20 0.05 0.00 -1.58 0.00 0.00 42.46 36.59 3fbc s ILE 8 CO -0.00 -0.29 1.06 -0.54 -1.23 0.00 0.00 174.94 173.94 3fbc s LYS 9 N 3.08 2.37 0.45 2.79 1.02 0.43 -2.68 119.74 127.20 3fbc s LYS 9 Ca 0.35 0.03 0.13 0.00 0.02 0.00 0.00 55.97 56.50 3fbc s LYS 9 Cb -0.14 -2.09 1.04 0.00 -0.52 0.00 0.00 37.83 36.12 3fbc s LYS 9 CO 0.13 -1.22 2.04 -1.35 -0.92 0.00 0.00 175.35 174.03 3fbc h PRO 10 N -0.67 0.34 -0.17 -1.68 0.11 -1.84 -1.49 132.00 126.60 3fbc h PRO 10 Ca -0.45 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 3fbc h PRO 10 Cb 1.30 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 3fbc h PRO 10 CO 0.63 0.23 0.09 0.38 -0.21 0.00 0.00 178.00 179.12 3fbc h ASP 11 N 0.35 0.20 -0.68 -2.05 2.03 -1.91 -1.21 116.42 113.16 3fbc h ASP 11 Ca 0.19 -0.01 0.04 0.00 -0.73 0.00 0.00 57.03 56.52 3fbc h ASP 11 Cb 0.29 -0.05 -0.05 0.00 -0.83 0.00 0.00 39.33 38.69 3fbc h ASP 11 CO -0.04 0.17 0.41 0.00 -1.03 0.00 0.00 179.24 178.75 3fbc h ALA 12 N 1.87 0.90 -0.01 4.15 0.00 -1.52 -0.19 119.26 124.45 3fbc h ALA 12 Ca 0.06 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 3fbc h ALA 12 Cb 0.01 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 17.63 3fbc h ALA 12 CO -0.01 0.14 -0.34 0.74 0.00 0.00 0.00 179.25 179.78 3fbc h PHE 13 N 0.78 0.35 -0.87 0.00 -1.00 -1.51 0.68 116.94 115.37 3fbc h PHE 13 Ca 0.28 -0.19 0.22 0.00 2.81 0.00 0.00 57.97 61.09 3fbc h PHE 13 Cb 0.08 -0.04 -0.13 0.00 3.61 0.00 0.00 35.95 39.47 3fbc h PHE 13 CO -0.06 0.99 0.32 1.49 -1.61 0.00 0.00 178.31 179.44 3fbc h GLU 14 N -0.38 0.31 -0.35 1.51 4.57 -1.09 -1.70 114.58 117.45 3fbc h GLU 14 Ca -0.04 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 3fbc h GLU 14 Cb 1.08 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.60 3fbc h GLU 14 CO 0.07 0.20 0.00 0.54 -1.18 0.00 0.00 179.01 178.64 3fbc n ARG 15 N -5.12 2.44 -3.29 1.92 1.74 -0.10 -4.97 116.66 109.28 3fbc n ARG 15 Ca 0.21 -2.23 -0.17 0.00 -0.77 0.00 0.00 57.85 54.89 3fbc n ARG 15 Cb 0.65 -1.49 0.06 0.00 -1.02 0.00 0.00 32.46 30.65 3fbc n ARG 15 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3fbc n SER 16 N 1.43 -4.74 -0.19 0.55 7.64 -0.42 -4.92 113.62 112.97 3fbc n SER 16 Ca 0.18 -0.42 0.10 0.00 1.01 0.00 0.00 58.87 59.74 3fbc n SER 16 Cb 0.59 -3.98 0.16 0.00 -1.01 0.00 0.00 64.21 59.97 3fbc n SER 16 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3fbc n LEU 17 N -3.85 2.55 0.04 -3.43 4.77 0.10 -4.72 117.00 112.46 3fbc n LEU 17 Ca -0.04 -3.11 -0.13 0.00 -0.03 0.00 0.00 56.01 52.71 3fbc n LEU 17 Cb 0.56 -0.45 -0.09 0.00 -2.33 0.00 0.00 43.42 41.12 3fbc n LEU 17 CO 0.49 0.73 0.66 0.58 -1.33 0.00 0.00 177.39 178.52 3fbc h VAL 18 N 0.25 1.14 -0.64 4.08 2.07 -1.91 -2.03 116.25 119.21 3fbc h VAL 18 Ca 0.00 -0.79 -0.04 0.00 0.82 0.00 0.00 66.70 66.69 3fbc h VAL 18 Cb 1.06 1.65 -0.03 0.00 -1.52 0.00 0.00 31.29 32.45 3fbc h VAL 18 CO 0.03 0.19 0.22 0.00 0.02 0.00 0.00 177.57 178.04 3fbc h ALA 19 N 0.43 0.83 -0.55 1.67 0.00 -1.94 -2.18 119.26 117.52 3fbc h ALA 19 Ca -0.01 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.75 3fbc h ALA 19 Cb 0.39 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 3fbc h ALA 19 CO 0.02 0.48 0.30 1.49 0.00 0.00 0.00 179.25 181.54 3fbc h GLU 20 N 0.91 0.58 0.52 0.00 4.57 -1.86 0.15 114.58 119.44 3fbc h GLU 20 Ca 0.21 -0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.33 3fbc h GLU 20 Cb 0.26 -0.13 0.01 0.00 -0.16 0.00 0.00 28.75 28.72 3fbc h GLU 20 CO -0.01 0.38 -0.25 0.82 -1.18 0.00 0.00 179.01 178.77 3fbc h ILE 21 N 0.59 0.44 -0.92 2.32 2.04 -1.17 -2.67 117.51 118.14 3fbc h ILE 21 Ca 0.23 -0.26 0.08 0.00 1.00 0.00 0.00 64.86 65.91 3fbc h ILE 21 Cb 0.10 0.54 -0.06 0.00 -0.74 0.00 0.00 36.82 36.66 3fbc h ILE 21 CO -0.14 0.04 0.60 0.24 0.00 0.00 0.00 178.15 178.89 3fbc h MET 22 N -0.87 0.98 -0.40 2.37 2.86 -1.30 -2.03 114.93 116.54 3fbc h MET 22 Ca -0.07 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.47 3fbc h MET 22 Cb 0.60 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 32.02 3fbc h MET 22 CO 0.12 0.65 0.08 0.78 1.06 0.00 0.00 176.91 179.59 3fbc h GLY 23 N 1.01 0.64 1.76 8.32 0.00 -0.67 0.27 103.07 114.41 3fbc h GLY 23 Ca 0.41 -0.35 -0.06 0.00 0.00 0.00 0.00 47.33 47.32 3fbc h GLY 23 CO -0.16 0.33 -0.18 3.21 0.00 0.00 0.00 176.54 179.74 3fbc h ARG 24 N 0.58 0.29 0.02 4.80 3.08 -1.01 -0.61 114.38 121.54 3fbc h ARG 24 Ca 0.13 -0.08 -0.23 0.00 0.07 0.00 0.00 59.98 59.87 3fbc h ARG 24 Cb 0.25 -0.03 0.02 0.00 0.08 0.00 0.00 29.97 30.29 3fbc h ARG 24 CO -0.00 0.46 -0.92 0.82 -1.07 0.00 0.00 179.97 179.26 3fbc h ILE 25 N 0.27 1.34 -0.72 2.04 2.04 -0.97 -3.20 117.51 118.31 3fbc h ILE 25 Ca 0.05 -2.23 0.03 0.00 1.00 0.00 0.00 64.86 63.70 3fbc h ILE 25 Cb 0.47 2.53 -0.04 0.00 -0.74 0.00 0.00 36.82 39.04 3fbc h ILE 25 CO 0.03 0.67 0.46 -0.08 0.00 0.00 0.00 178.15 179.23 3fbc h GLU 26 N 0.19 0.87 0.00 2.37 4.81 -0.35 -2.64 114.58 119.83 3fbc h GLU 26 Ca -0.12 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.03 3fbc h GLU 26 Cb 1.60 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 30.78 3fbc h GLU 26 CO 0.18 0.58 -0.11 0.87 -0.73 0.00 0.00 179.01 179.80 3fbc h LYS 27 N 0.90 0.00 -0.32 1.92 1.79 -1.18 -1.55 116.57 118.13 3fbc h LYS 27 Ca 0.28 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.75 3fbc h LYS 27 Cb -0.01 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.64 3fbc h LYS 27 CO -0.10 0.11 0.00 1.17 -1.08 0.00 0.00 179.45 179.55 3fbc n LYS 28 N -3.40 1.56 -2.72 3.15 4.81 -1.00 -4.89 118.16 115.67 3fbc n LYS 28 Ca -0.01 -0.73 -0.11 0.00 -0.87 0.00 0.00 58.31 56.59 3fbc n LYS 28 Cb 0.29 -1.25 0.02 0.00 0.02 0.00 0.00 35.03 34.11 3fbc n LYS 28 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 3fbc n ASN 29 N 0.09 -3.83 -4.89 3.14 4.05 -0.58 -5.05 115.26 108.19 3fbc n ASN 29 Ca 0.07 -0.17 -0.34 0.00 0.45 0.00 0.00 54.58 54.59 3fbc n ASN 29 Cb 0.23 -2.66 -0.05 0.00 1.23 0.00 0.00 39.78 38.53 3fbc n ASN 29 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 177.26 173.85 3fbc s PHE 30 N -2.91 3.57 -0.08 1.20 0.40 -1.18 -4.88 117.98 114.10 3fbc s PHE 30 Ca 0.18 0.54 -0.00 0.00 -0.60 0.00 0.00 56.93 57.05 3fbc s PHE 30 Cb -0.08 -1.97 -0.03 0.00 0.51 0.00 0.00 43.02 41.45 3fbc s PHE 30 CO 0.22 0.61 -0.04 0.15 0.70 0.00 0.00 175.22 176.87 3fbc s LYS 31 N -1.80 2.87 0.14 0.44 -0.14 -0.41 -4.51 119.74 116.32 3fbc s LYS 31 Ca 0.28 -0.49 -0.30 0.00 -1.36 0.00 0.00 55.97 54.10 3fbc s LYS 31 Cb -0.13 -2.69 -0.07 0.00 -1.68 0.00 0.00 37.83 33.26 3fbc s LYS 31 CO 0.17 0.67 1.16 0.42 -0.76 0.00 0.00 175.35 177.01 3fbc s ILE 32 N -0.81 3.82 -0.06 2.17 1.01 -1.26 -0.83 121.20 125.24 3fbc s ILE 32 Ca 0.12 1.47 0.00 0.00 0.00 0.00 0.00 60.65 62.24 3fbc s ILE 32 Cb -0.11 -3.94 -0.04 0.00 0.01 0.00 0.00 42.46 38.38 3fbc s ILE 32 CO 0.02 0.20 -0.05 0.52 0.00 0.00 0.00 174.94 175.63 3fbc n VAL 33 N 2.92 0.32 -3.94 2.92 0.31 0.21 -4.94 118.33 116.13 3fbc n VAL 33 Ca 0.05 -0.12 -0.10 0.00 -0.01 0.00 0.00 64.34 64.16 3fbc n VAL 33 Cb 0.46 -0.70 -0.10 0.00 -0.91 0.00 0.00 33.84 32.58 3fbc n VAL 33 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 3fbc s SER 34 N -4.52 0.16 -0.17 4.52 0.01 -1.21 -4.98 113.70 107.51 3fbc s SER 34 Ca -0.07 -0.41 -0.17 0.00 1.31 0.00 0.00 55.95 56.60 3fbc s SER 34 Cb 0.02 0.15 0.05 0.00 0.21 0.00 0.00 66.02 66.44 3fbc s SER 34 CO 0.13 -0.35 0.49 -0.32 0.41 0.00 0.00 173.24 173.60 3fbc s MET 35 N -1.56 0.60 -0.02 12.44 0.00 -1.26 -0.81 119.30 128.68 3fbc s MET 35 Ca -0.14 0.64 0.01 0.00 0.00 0.00 0.00 55.69 56.19 3fbc s MET 35 Cb -0.08 0.29 0.02 0.00 0.00 0.00 0.00 34.83 35.06 3fbc s MET 35 CO -0.00 -0.08 -0.01 0.15 0.00 0.00 0.00 175.02 175.08 3fbc s LYS 36 N 0.15 0.26 -0.11 4.11 1.02 -0.72 -5.02 119.74 119.43 3fbc s LYS 36 Ca -0.01 0.03 -0.10 0.00 0.02 0.00 0.00 55.97 55.91 3fbc s LYS 36 Cb -0.03 -0.39 -0.05 0.00 -0.52 0.00 0.00 37.83 36.84 3fbc s LYS 36 CO 0.01 -0.08 0.22 0.12 -0.92 0.00 0.00 175.35 174.70 3fbc s PHE 37 N 0.68 3.58 -0.18 3.18 5.36 -1.26 -1.99 117.98 127.36 3fbc s PHE 37 Ca -0.07 0.61 -0.00 0.00 -0.96 0.00 0.00 56.93 56.51 3fbc s PHE 37 Cb -0.10 -2.11 0.05 0.00 -0.34 0.00 0.00 43.02 40.52 3fbc s PHE 37 CO -0.01 0.58 -0.05 -1.58 -1.46 0.00 0.00 175.22 172.70 3fbc s TRP 38 N -0.62 1.78 0.26 10.12 0.52 -0.04 -4.99 118.94 125.96 3fbc s TRP 38 Ca 0.16 -1.19 0.04 0.00 0.02 0.00 0.00 56.10 55.13 3fbc s TRP 38 Cb -0.13 -1.34 0.33 0.00 -1.15 0.00 0.00 33.47 31.17 3fbc s TRP 38 CO 0.05 -0.65 1.63 0.66 0.02 0.00 0.00 176.95 178.66 3fbc h SER 39 N 8.10 0.35 -3.19 2.95 4.64 -1.91 0.14 113.55 124.64 3fbc h SER 39 Ca -0.23 -0.17 -0.24 0.00 -0.47 0.00 0.00 61.79 60.69 3fbc h SER 39 Cb 1.11 -0.10 -0.32 0.00 -0.31 0.00 0.00 62.40 62.77 3fbc h SER 39 CO 0.40 0.77 -0.56 -0.75 -0.87 0.00 0.00 176.83 175.82 3fbc s LYS 40 N -4.06 0.12 -0.00 4.77 2.20 -1.26 -2.61 119.74 118.90 3fbc s LYS 40 Ca -0.05 0.55 -0.24 0.00 -0.36 0.00 0.00 55.97 55.87 3fbc s LYS 40 Cb 0.13 -0.15 -0.05 0.00 -1.51 0.00 0.00 37.83 36.24 3fbc s LYS 40 CO 0.79 -0.23 0.73 0.00 -0.36 0.00 0.00 175.35 176.28 3fbc s ALA 41 N 1.77 3.37 -0.18 3.13 0.00 -1.26 -4.98 121.76 123.61 3fbc s ALA 41 Ca -0.04 0.20 -0.37 0.00 0.00 0.00 0.00 51.96 51.76 3fbc s ALA 41 Cb -0.11 -2.96 -0.13 0.00 0.00 0.00 0.00 23.12 19.92 3fbc s ALA 41 CO -0.07 0.02 1.83 -2.30 0.00 0.00 0.00 175.76 175.23 3fbc n PRO 42 N 3.15 1.74 -0.34 0.00 -0.02 -1.26 -4.81 135.00 133.45 3fbc n PRO 42 Ca -0.02 0.64 0.35 0.00 -2.02 0.00 0.00 63.50 62.45 3fbc n PRO 42 Cb 0.51 -2.42 0.74 0.00 -0.02 0.00 0.00 33.50 32.31 3fbc n PRO 42 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3fbc h ARG 43 N 8.42 0.03 0.29 -0.52 2.43 -1.97 -0.72 114.38 122.34 3fbc h ARG 43 Ca -0.48 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.68 3fbc h ARG 43 Cb 1.29 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.83 3fbc h ARG 43 CO 0.96 0.02 -0.26 -0.97 -1.51 0.00 0.00 179.97 178.20 3fbc h ASN 44 N 0.03 -0.71 -0.77 -3.80 -0.00 -2.00 -2.19 115.58 106.14 3fbc h ASN 44 Ca 0.59 0.05 0.17 0.00 -0.00 0.00 0.00 56.30 57.12 3fbc h ASN 44 Cb 2.30 0.23 -0.11 0.00 -0.00 0.00 0.00 38.32 40.73 3fbc h ASN 44 CO -0.03 -0.36 0.20 -0.07 -0.00 0.00 0.00 177.43 177.17 3fbc h LEU 45 N -0.54 0.03 -0.21 0.34 4.07 -1.51 -1.19 115.31 116.30 3fbc h LEU 45 Ca -0.04 0.15 0.05 0.00 0.08 0.00 0.00 57.88 58.12 3fbc h LEU 45 Cb 0.46 0.20 -0.05 0.00 1.08 0.00 0.00 40.66 42.35 3fbc h LEU 45 CO -0.02 -0.05 -0.11 0.40 -1.08 0.00 0.00 178.44 177.58 3fbc h ILE 46 N 0.28 0.65 -0.33 1.22 1.08 -1.40 -0.52 117.51 118.48 3fbc h ILE 46 Ca 0.44 0.00 -0.07 0.00 -0.39 0.00 0.00 64.86 64.84 3fbc h ILE 46 Cb 0.77 0.65 -0.02 0.00 -3.07 0.00 0.00 36.82 35.15 3fbc h ILE 46 CO -0.53 0.00 -0.11 -0.33 -0.69 0.00 0.00 178.15 176.49 3fbc h GLU 47 N -0.10 0.56 -0.06 2.37 5.08 -0.58 0.83 114.58 122.69 3fbc h GLU 47 Ca 0.12 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3fbc h GLU 47 Cb 0.27 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 3fbc h GLU 47 CO -0.27 0.66 0.04 1.96 -1.00 0.00 0.00 179.01 180.40 3fbc h GLN 48 N 0.52 0.07 -1.00 2.33 4.20 -1.17 0.11 115.11 120.16 3fbc h GLN 48 Ca 0.10 -0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.88 3fbc h GLN 48 Cb 0.50 -0.02 -0.07 0.00 0.30 0.00 0.00 27.48 28.19 3fbc h GLN 48 CO 0.03 0.05 0.64 1.25 -0.67 0.00 0.00 178.83 180.13 3fbc h HIS 49 N 0.08 1.19 -0.74 2.96 2.76 0.69 -1.79 115.15 120.31 3fbc h HIS 49 Ca 0.02 0.03 -0.48 0.00 -2.20 0.00 0.00 60.37 57.74 3fbc h HIS 49 Cb -0.01 -0.39 -0.28 0.00 1.55 0.00 0.00 27.41 28.29 3fbc h HIS 49 CO -0.08 0.59 0.08 0.66 -1.30 0.00 0.00 177.93 177.89 3fbc n TYR 50 N -4.52 2.44 -0.15 5.26 0.53 0.08 -4.70 117.16 116.10 3fbc n TYR 50 Ca 0.16 -2.26 -0.01 0.00 -1.02 0.00 0.00 57.90 54.77 3fbc n TYR 50 Cb 0.21 -0.80 0.23 0.00 -1.03 0.00 0.00 39.34 37.95 3fbc n TYR 50 CO 0.00 0.00 0.00 1.57 -1.02 0.00 0.00 176.86 177.41 3fbc h LYS 51 N 1.65 0.86 0.00 -0.72 2.10 0.15 -1.76 116.57 118.84 3fbc h LYS 51 Ca 0.43 -0.11 0.00 0.00 -2.00 0.00 0.00 60.65 58.97 3fbc h LYS 51 Cb 1.49 -0.16 0.00 0.00 -0.90 0.00 0.00 32.23 32.66 3fbc h LYS 51 CO 0.95 0.68 0.00 0.93 -2.00 0.00 0.00 179.45 180.01 3fbc h GLU 52 N 0.85 0.00 -0.52 0.07 5.08 -1.84 -1.76 114.58 116.47 3fbc h GLU 52 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 3fbc h GLU 52 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 3fbc h GLU 52 CO -0.03 0.00 0.00 0.72 -1.00 0.00 0.00 179.01 178.70 3fbc n HIS 53 N -3.01 0.68 0.32 4.33 8.25 -0.67 -4.59 115.22 120.53 3fbc n HIS 53 Ca -0.01 -0.34 0.21 0.00 -0.26 0.00 0.00 57.72 57.31 3fbc n HIS 53 Cb 0.16 0.00 1.10 0.00 1.12 0.00 0.00 29.99 32.37 3fbc n HIS 53 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3fbc h SER 54 N 4.38 0.00 -0.81 0.41 4.64 -1.28 -1.87 113.55 119.02 3fbc h SER 54 Ca 0.00 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.01 3fbc h SER 54 Cb 0.98 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 62.89 3fbc h SER 54 CO 0.00 0.01 0.38 -0.62 -0.87 0.00 0.00 176.83 175.73 3fbc n GLU 55 N -3.22 3.28 -4.15 4.77 4.71 -1.26 -4.91 120.64 119.85 3fbc n GLU 55 Ca -0.03 -3.08 -0.23 0.00 -0.01 0.00 0.00 57.16 53.82 3fbc n GLU 55 Cb 0.11 -2.20 -0.05 0.00 -1.01 0.00 0.00 31.44 28.28 3fbc n GLU 55 CO 0.00 0.00 0.00 -0.65 0.09 0.00 0.00 177.13 176.57 3fbc s GLN 56 N -3.09 2.77 0.22 3.49 -1.52 -0.70 -5.01 119.66 115.81 3fbc s GLN 56 Ca 0.56 -1.10 -0.08 0.00 -1.95 0.00 0.00 55.36 52.78 3fbc s GLN 56 Cb 0.45 -2.48 0.19 0.00 -0.22 0.00 0.00 33.01 30.95 3fbc s GLN 56 CO 0.13 0.41 1.86 0.66 -0.25 0.00 0.00 175.29 178.10 3fbc h SER 57 N 1.77 1.01 -0.07 5.90 4.64 -1.93 -2.86 113.55 122.02 3fbc h SER 57 Ca -0.47 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 60.77 3fbc h SER 57 Cb 1.23 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 3fbc h SER 57 CO 0.61 0.79 0.00 0.00 -0.87 0.00 0.00 176.83 177.36 3fbc n TYR 58 N -4.43 0.09 -0.11 4.77 0.18 -1.26 -4.39 117.16 112.01 3fbc n TYR 58 Ca 0.09 -0.04 0.00 0.00 1.88 0.00 0.00 57.90 59.82 3fbc n TYR 58 Cb 0.06 0.00 0.28 0.00 -0.38 0.00 0.00 39.34 39.30 3fbc n TYR 58 CO 0.00 0.00 0.00 0.35 -2.08 0.00 0.00 176.86 175.13 3fbc h PHE 59 N 0.71 0.75 0.17 -3.48 3.04 -1.74 -1.43 116.94 114.96 3fbc h PHE 59 Ca 0.00 -0.02 -0.34 0.00 3.98 0.00 0.00 57.97 61.58 3fbc h PHE 59 Cb 0.16 -0.24 0.00 0.00 2.56 0.00 0.00 35.95 38.43 3fbc h PHE 59 CO 0.04 0.56 -1.74 -0.91 -2.02 0.00 0.00 178.31 174.24 3fbc h ASN 60 N 0.76 0.55 -0.14 0.41 2.35 -1.84 -2.67 115.58 115.01 3fbc h ASN 60 Ca 0.19 -0.85 -0.04 0.00 -0.55 0.00 0.00 56.30 55.05 3fbc h ASN 60 Cb 0.09 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 3fbc h ASN 60 CO -0.03 1.72 -0.03 0.44 -1.65 0.00 0.00 177.43 177.88 3fbc h ASP 61 N 0.10 0.37 0.81 5.81 3.32 -1.85 0.31 116.42 125.29 3fbc h ASP 61 Ca -0.33 -0.07 -0.04 0.00 0.02 0.00 0.00 57.03 56.61 3fbc h ASP 61 Cb 2.08 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 41.54 3fbc h ASP 61 CO 0.17 0.46 -0.44 0.25 -1.72 0.00 0.00 179.24 177.96 3fbc h LEU 62 N 0.39 -1.09 -0.47 1.55 6.46 -1.31 -1.18 115.31 119.66 3fbc h LEU 62 Ca 0.08 0.05 0.07 0.00 -0.12 0.00 0.00 57.88 57.96 3fbc h LEU 62 Cb 0.31 0.30 -0.06 0.00 -0.73 0.00 0.00 40.66 40.48 3fbc h LEU 62 CO 0.01 -0.71 0.14 0.00 -0.62 0.00 0.00 178.44 177.26 3fbc h ASP 64 N 0.29 -0.04 -0.21 0.00 3.32 -0.32 -1.68 116.42 117.79 3fbc h ASP 64 Ca 0.23 0.10 -0.05 0.00 0.02 0.00 0.00 57.03 57.34 3fbc h ASP 64 Cb 0.26 0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 3fbc h ASP 64 CO -0.26 0.00 -0.04 0.15 -1.72 0.00 0.00 179.24 177.37 3fbc h PHE 65 N 0.22 0.45 0.00 4.55 3.04 -0.63 -2.75 116.94 121.82 3fbc h PHE 65 Ca 0.28 -0.09 0.00 0.00 3.98 0.00 0.00 57.97 62.13 3fbc h PHE 65 Cb 0.40 -0.11 0.00 0.00 2.56 0.00 0.00 35.95 38.80 3fbc h PHE 65 CO -0.25 0.64 0.00 0.52 -2.02 0.00 0.00 178.31 177.20 3fbc h MET 66 N 0.13 0.00 -0.50 1.11 2.86 -0.39 -0.21 114.93 117.93 3fbc h MET 66 Ca 0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 3fbc h MET 66 Cb 0.49 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.15 3fbc h MET 66 CO 0.02 0.00 0.00 1.33 1.06 0.00 0.00 176.91 179.32 3fbc n VAL 67 N -2.67 1.19 1.00 -2.22 0.24 -0.69 -4.55 118.33 110.63 3fbc n VAL 67 Ca -0.02 -1.08 0.13 0.00 -2.04 0.00 0.00 64.34 61.33 3fbc n VAL 67 Cb 0.08 0.40 0.51 0.00 -1.47 0.00 0.00 33.84 33.37 3fbc n VAL 67 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3fbc n SER 68 N 0.88 0.15 -2.42 -1.34 3.41 -0.09 -4.80 113.62 109.40 3fbc n SER 68 Ca 0.18 0.28 -0.01 0.00 -0.26 0.00 0.00 58.87 59.06 3fbc n SER 68 Cb 0.58 -0.28 0.01 0.00 -0.26 0.00 0.00 64.21 64.25 3fbc n SER 68 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fbc n GLY 69 N 1.50 0.77 3.69 5.00 0.00 -1.26 -5.08 105.19 109.80 3fbc n GLY 69 Ca 0.07 -1.03 -0.32 0.00 0.00 0.00 0.00 46.02 44.73 3fbc n GLY 69 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3fbc s PRO 70 N -2.02 1.30 0.03 1.61 0.02 -1.07 -4.59 135.00 130.27 3fbc s PRO 70 Ca 0.14 1.64 -0.08 0.00 0.02 0.00 0.00 61.00 62.72 3fbc s PRO 70 Cb -0.01 -1.75 -0.00 0.00 0.02 0.00 0.00 34.50 32.76 3fbc s PRO 70 CO 0.02 -2.44 0.15 0.96 -0.33 0.00 0.00 177.00 175.37 3fbc s ILE 71 N -2.44 0.11 -0.12 2.83 -5.25 0.51 -3.42 121.20 113.42 3fbc s ILE 71 Ca 0.69 -0.87 0.03 0.00 -0.99 0.00 0.00 60.65 59.51 3fbc s ILE 71 Cb -0.25 -0.74 0.00 0.00 2.95 0.00 0.00 42.46 44.42 3fbc s ILE 71 CO 0.55 -0.48 -0.22 -0.63 -1.79 0.00 0.00 174.94 172.37 3fbc s ILE 72 N -2.15 2.17 -0.17 8.37 1.01 -1.09 -0.86 121.20 128.47 3fbc s ILE 72 Ca -0.09 -0.97 -0.08 0.00 0.00 0.00 0.00 60.65 59.52 3fbc s ILE 72 Cb -0.03 -1.85 -0.04 0.00 0.01 0.00 0.00 42.46 40.54 3fbc s ILE 72 CO -0.02 0.55 0.10 -0.94 0.00 0.00 0.00 174.94 174.63 3fbc s SER 73 N 0.52 5.97 -0.02 3.58 1.04 -0.84 -1.08 113.70 122.87 3fbc s SER 73 Ca -0.14 0.21 0.03 0.00 0.48 0.00 0.00 55.95 56.53 3fbc s SER 73 Cb -0.17 -2.01 -0.00 0.00 0.10 0.00 0.00 66.02 63.94 3fbc s SER 73 CO 0.05 0.23 -0.12 -0.63 0.98 0.00 0.00 173.24 173.74 3fbc s ILE 74 N 0.07 0.98 -0.30 -1.02 1.01 0.49 -1.76 121.20 120.67 3fbc s ILE 74 Ca 0.07 -0.49 -0.10 0.00 0.00 0.00 0.00 60.65 60.13 3fbc s ILE 74 Cb -0.12 -0.84 -0.02 0.00 0.01 0.00 0.00 42.46 41.49 3fbc s ILE 74 CO -0.00 0.29 0.17 -0.69 0.00 0.00 0.00 174.94 174.70 3fbc s VAL 75 N -0.05 4.86 0.13 2.92 1.01 0.01 -0.27 120.40 129.01 3fbc s VAL 75 Ca 0.00 -0.21 0.03 0.00 0.00 0.00 0.00 61.98 61.80 3fbc s VAL 75 Cb -0.07 -3.42 -0.04 0.00 0.00 0.00 0.00 36.38 32.85 3fbc s VAL 75 CO 0.00 0.13 0.20 -0.31 0.00 0.00 0.00 175.10 175.12 3fbc s TYR 76 N 1.67 3.34 -0.04 5.22 1.51 -0.27 -0.62 117.35 128.15 3fbc s TYR 76 Ca 0.06 0.09 -0.02 0.00 -1.01 0.00 0.00 57.07 56.18 3fbc s TYR 76 Cb -0.17 -1.63 0.03 0.00 -0.11 0.00 0.00 41.96 40.09 3fbc s TYR 76 CO 0.08 0.53 0.10 -2.00 -1.11 0.00 0.00 175.55 173.15 3fbc s GLU 77 N -2.96 0.06 0.00 -0.62 2.12 -0.01 -1.68 118.70 115.61 3fbc s GLU 77 Ca 0.33 0.25 0.00 0.00 0.36 0.00 0.00 54.97 55.90 3fbc s GLU 77 Cb -0.11 -0.12 0.00 0.00 0.26 0.00 0.00 34.13 34.16 3fbc s GLU 77 CO 0.26 -0.12 0.00 0.41 -0.54 0.00 0.00 175.26 175.27 3fbc n GLY 78 N 3.82 0.94 3.66 -1.50 0.00 -1.01 -1.29 105.19 109.81 3fbc n GLY 78 Ca -0.22 -0.87 -0.56 0.00 0.00 0.00 0.00 46.02 44.36 3fbc n GLY 78 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3fbc n THR 79 N -0.30 0.30 -2.27 2.61 -1.04 -1.26 -1.49 114.28 110.83 3fbc n THR 79 Ca 0.00 -0.08 -0.17 0.00 -2.04 0.00 0.00 64.05 61.76 3fbc n THR 79 Cb 0.00 -1.28 -0.01 0.00 -1.82 0.00 0.00 70.33 67.21 3fbc n THR 79 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 3fbc n ASP 80 N 6.12 -5.06 -0.25 8.00 2.03 -0.79 -4.87 116.55 121.72 3fbc n ASP 80 Ca 0.29 0.02 -0.02 0.00 0.52 0.00 0.00 54.79 55.60 3fbc n ASP 80 Cb 0.14 -4.15 0.09 0.00 -0.72 0.00 0.00 41.12 36.49 3fbc n ASP 80 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3fbc h ALA 81 N 0.76 0.94 -0.40 -1.67 0.00 -1.52 -2.23 119.26 115.15 3fbc h ALA 81 Ca -0.41 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.57 3fbc h ALA 81 Cb 1.29 -0.20 -0.08 0.00 0.00 0.00 0.00 17.79 18.80 3fbc h ALA 81 CO 0.49 0.18 -0.11 0.82 0.00 0.00 0.00 179.25 180.62 3fbc h ILE 82 N 0.82 0.58 0.12 0.00 2.04 -1.86 -0.97 117.51 118.25 3fbc h ILE 82 Ca 0.30 0.00 -0.30 0.00 1.00 0.00 0.00 64.86 65.86 3fbc h ILE 82 Cb 0.08 0.58 -0.00 0.00 -0.74 0.00 0.00 36.82 36.73 3fbc h ILE 82 CO -0.13 0.00 -1.46 -1.28 0.00 0.00 0.00 178.15 175.28 3fbc h SER 83 N -0.02 0.39 -0.21 1.72 0.87 -1.82 -3.11 113.55 111.38 3fbc h SER 83 Ca 0.19 -0.51 -0.13 0.00 -1.23 0.00 0.00 61.79 60.11 3fbc h SER 83 Cb 0.31 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 3fbc h SER 83 CO -0.42 1.42 -0.32 0.11 -0.53 0.00 0.00 176.83 177.09 3fbc h LYS 84 N 0.07 0.72 -0.00 2.24 1.79 -1.24 -2.47 116.57 117.68 3fbc h LYS 84 Ca -0.22 -0.33 -0.11 0.00 -2.18 0.00 0.00 60.65 57.82 3fbc h LYS 84 Cb 2.00 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 32.63 3fbc h LYS 84 CO 0.17 0.94 -0.50 0.82 -1.08 0.00 0.00 179.45 179.80 3fbc h ILE 85 N 0.61 1.36 -0.94 1.86 2.04 -1.28 -1.60 117.51 119.55 3fbc h ILE 85 Ca 0.07 -1.72 0.02 0.00 1.00 0.00 0.00 64.86 64.23 3fbc h ILE 85 Cb 0.84 1.93 -0.05 0.00 -0.74 0.00 0.00 36.82 38.80 3fbc h ILE 85 CO 0.07 0.49 0.62 0.03 0.00 0.00 0.00 178.15 179.36 3fbc h ARG 86 N 0.01 1.19 -0.01 2.37 2.47 -1.41 -0.82 114.38 118.18 3fbc h ARG 86 Ca -0.00 -0.07 -0.16 0.00 -1.26 0.00 0.00 59.98 58.48 3fbc h ARG 86 Cb 0.89 -0.27 -0.02 0.00 -1.65 0.00 0.00 29.97 28.92 3fbc h ARG 86 CO 0.07 0.79 -0.74 0.00 0.56 0.00 0.00 179.97 180.64 3fbc h ARG 87 N 1.23 0.10 -0.52 0.04 3.08 -1.01 -2.19 114.38 115.12 3fbc h ARG 87 Ca 0.36 -0.10 0.01 0.00 0.07 0.00 0.00 59.98 60.32 3fbc h ARG 87 Cb -0.07 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 29.97 3fbc h ARG 87 CO -0.10 0.80 0.33 -0.07 -1.07 0.00 0.00 179.97 179.87 3fbc h LEU 88 N 0.07 0.57 -0.64 3.04 4.07 -0.85 -3.06 115.31 118.51 3fbc h LEU 88 Ca -0.02 -0.01 -0.04 0.00 0.08 0.00 0.00 57.88 57.89 3fbc h LEU 88 Cb 1.31 -0.14 -0.03 0.00 1.08 0.00 0.00 40.66 42.89 3fbc h LEU 88 CO 0.11 0.41 0.23 -0.61 -1.08 0.00 0.00 178.44 177.49 3fbc h GLN 89 N 0.68 0.97 0.00 1.13 4.15 -1.00 0.15 115.11 121.19 3fbc h GLN 89 Ca 0.20 -0.19 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3fbc h GLN 89 Cb -0.05 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 27.49 3fbc h GLN 89 CO -0.06 0.84 0.00 0.41 -1.93 0.00 0.00 178.83 178.09 3fbc n GLY 90 N -0.78 0.98 3.28 2.39 0.00 -0.84 -1.76 105.19 108.46 3fbc n GLY 90 Ca 0.04 -0.61 -0.12 0.00 0.00 0.00 0.00 46.02 45.33 3fbc n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fbc s ASN 91 N -4.00 0.24 0.00 1.61 2.20 -1.26 -4.76 114.94 108.96 3fbc s ASN 91 Ca 0.00 -1.34 0.16 0.00 -0.94 0.00 0.00 52.86 50.74 3fbc s ASN 91 Cb 0.00 0.44 0.92 0.00 -2.00 0.00 0.00 41.25 40.60 3fbc s ASN 91 CO 0.00 -0.92 1.41 2.30 -2.94 0.00 0.00 177.10 176.96 3fbc n ILE 92 N -0.32 0.20 0.53 0.54 -5.35 -1.26 -1.53 119.36 112.17 3fbc n ILE 92 Ca 0.02 0.05 0.11 0.00 -0.27 0.00 0.00 62.75 62.65 3fbc n ILE 92 Cb 0.65 -0.79 -0.13 0.00 -1.74 0.00 0.00 39.64 37.63 3fbc n ILE 92 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3fbc n LEU 93 N -1.11 0.54 -4.11 7.28 4.77 -1.26 -4.67 117.00 118.45 3fbc n LEU 93 Ca 0.11 -0.25 -0.35 0.00 -0.03 0.00 0.00 56.01 55.49 3fbc n LEU 93 Cb 0.08 -0.01 -0.13 0.00 -2.33 0.00 0.00 43.42 41.03 3fbc n LEU 93 CO 0.10 0.13 -0.26 -0.89 -1.33 0.00 0.00 177.39 175.14 3fbc s THR 94 N -3.24 2.95 0.54 -5.08 2.01 -0.95 -5.03 115.64 106.85 3fbc s THR 94 Ca 0.01 -1.93 -0.21 0.00 0.31 0.00 0.00 61.69 59.86 3fbc s THR 94 Cb 0.15 -2.96 -0.05 0.00 0.01 0.00 0.00 72.50 69.65 3fbc s THR 94 CO 0.88 -0.50 1.31 -2.84 -0.69 0.00 0.00 174.62 172.79 3fbc s PRO 95 N 1.12 3.17 0.00 4.92 0.02 -1.26 -2.97 135.00 139.99 3fbc s PRO 95 Ca 0.05 2.12 0.00 0.00 0.02 0.00 0.00 61.00 63.19 3fbc s PRO 95 Cb -0.21 -2.22 0.00 0.00 0.02 0.00 0.00 34.50 32.09 3fbc s PRO 95 CO -0.04 -1.13 0.00 0.41 -0.33 0.00 0.00 177.00 175.91 3fbc n GLY 96 N 0.68 2.47 4.00 0.52 0.00 -1.26 -4.97 105.19 106.63 3fbc n GLY 96 Ca 0.11 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.94 3fbc n GLY 96 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3fbc s THR 97 N -2.32 2.69 0.06 2.61 -4.23 -1.16 -4.93 115.64 108.35 3fbc s THR 97 Ca 0.00 -0.89 -0.25 0.00 -1.18 0.00 0.00 61.69 59.37 3fbc s THR 97 Cb 0.00 -2.80 -0.17 0.00 1.34 0.00 0.00 72.50 70.87 3fbc s THR 97 CO 0.00 0.00 1.59 0.40 -0.54 0.00 0.00 174.62 176.07 3fbc h ILE 98 N 0.32 0.90 -0.46 2.99 2.04 -0.77 -0.40 117.51 122.13 3fbc h ILE 98 Ca -0.38 -0.24 -0.13 0.00 1.00 0.00 0.00 64.86 65.10 3fbc h ILE 98 Cb 1.28 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 38.41 3fbc h ILE 98 CO 0.45 0.06 -0.24 0.03 0.00 0.00 0.00 178.15 178.46 3fbc h ARG 99 N -0.32 0.96 -0.81 2.37 3.08 -1.57 -0.58 114.38 117.50 3fbc h ARG 99 Ca -0.02 -0.42 0.12 0.00 0.07 0.00 0.00 59.98 59.73 3fbc h ARG 99 Cb 0.25 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.22 3fbc h ARG 99 CO 0.04 1.08 0.53 0.78 -1.07 0.00 0.00 179.97 181.33 3fbc h GLY 100 N 0.88 1.03 0.29 0.04 0.00 -1.12 -1.55 103.07 102.64 3fbc h GLY 100 Ca 0.10 -0.28 -0.35 0.00 0.00 0.00 0.00 47.33 46.81 3fbc h GLY 100 CO 0.07 0.12 -2.20 1.22 0.00 0.00 0.00 176.54 175.76 3fbc n ASP 101 N -4.52 0.47 -0.00 0.19 8.00 -0.17 -4.41 116.55 116.11 3fbc n ASP 101 Ca 0.15 0.11 0.01 0.00 0.71 0.00 0.00 54.79 55.77 3fbc n ASP 101 Cb 0.41 0.53 -0.02 0.00 -0.02 0.00 0.00 41.12 42.02 3fbc n ASP 101 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3fbc n LEU 102 N -2.90 0.04 -4.61 0.64 4.77 -0.24 -5.05 117.00 109.66 3fbc n LEU 102 Ca -0.30 -0.20 -0.25 0.00 -0.03 0.00 0.00 56.01 55.23 3fbc n LEU 102 Cb 1.11 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 42.12 3fbc n LEU 102 CO 0.42 0.01 -0.37 0.00 -1.33 0.00 0.00 177.39 176.12 3fbc s ALA 103 N -1.78 3.06 0.00 -1.18 0.00 -0.59 -5.02 121.76 116.25 3fbc s ALA 103 Ca -0.00 -1.54 0.00 0.00 0.00 0.00 0.00 51.96 50.42 3fbc s ALA 103 Cb 0.02 -0.77 0.00 0.00 0.00 0.00 0.00 23.12 22.36 3fbc s ALA 103 CO 0.10 0.39 0.72 -1.71 0.00 0.00 0.00 175.76 175.25 3fbc n ASN 104 N -0.35 0.00 -3.85 0.00 5.15 -1.26 -4.76 115.26 110.19 3fbc n ASN 104 Ca -0.09 -1.51 -0.12 0.00 -0.60 0.00 0.00 54.58 52.26 3fbc n ASN 104 Cb 0.57 -0.10 -0.14 0.00 -0.53 0.00 0.00 39.78 39.58 3fbc n ASN 104 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3fbc s ASP 105 N -0.51 -0.04 0.35 1.20 -1.08 -1.26 -5.04 116.67 110.29 3fbc s ASP 105 Ca 0.00 0.09 0.12 0.00 -0.52 0.00 0.00 52.55 52.23 3fbc s ASP 105 Cb 0.00 0.08 0.91 0.00 -1.46 0.00 0.00 42.92 42.45 3fbc s ASP 105 CO 0.00 -0.02 1.79 0.16 0.52 0.00 0.00 175.17 177.62 3fbc h ILE 106 N 5.17 0.65 0.00 4.11 3.07 -2.02 -3.29 117.51 125.19 3fbc h ILE 106 Ca -0.26 -0.20 -0.40 0.00 1.55 0.00 0.00 64.86 65.55 3fbc h ILE 106 Cb 1.20 0.01 -0.06 0.00 -0.27 0.00 0.00 36.82 37.70 3fbc h ILE 106 CO 0.48 0.11 -2.40 0.61 -1.05 0.00 0.00 178.15 175.90 3fbc n GLY 107 N -1.40 -0.38 3.50 0.16 0.00 -1.26 -4.74 105.19 101.07 3fbc n GLY 107 Ca 0.23 -0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 3fbc n GLY 107 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fbc s GLU 108 N -2.47 3.94 -0.13 1.61 2.02 -1.24 -4.76 118.70 117.66 3fbc s GLU 108 Ca -0.34 -2.17 0.15 0.00 0.02 0.00 0.00 54.97 52.62 3fbc s GLU 108 Cb 0.11 -5.18 0.33 0.00 0.10 0.00 0.00 34.13 29.49 3fbc s GLU 108 CO 0.50 -1.93 1.16 0.27 0.02 0.00 0.00 175.26 175.28 3fbc n ASN 109 N 6.75 1.67 0.00 -0.19 0.23 -1.26 -4.28 115.26 118.19 3fbc n ASN 109 Ca 0.37 -3.16 0.00 0.00 -0.53 0.00 0.00 54.58 51.26 3fbc n ASN 109 Cb 0.45 -0.43 0.00 0.00 -2.08 0.00 0.00 39.78 37.72 3fbc n ASN 109 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 3fbc n LEU 110 N -0.92 0.00 -3.74 -4.53 4.77 -1.26 -4.82 117.00 106.50 3fbc n LEU 110 Ca 0.14 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 56.00 3fbc n LEU 110 Cb 0.73 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.71 3fbc n LEU 110 CO -0.02 0.00 0.02 -0.51 -1.33 0.00 0.00 177.39 175.55 3fbc s ILE 111 N 0.00 -0.01 -0.09 -0.08 2.07 -1.26 -0.43 121.20 121.40 3fbc s ILE 111 Ca 0.00 0.03 -0.04 0.00 -1.41 0.00 0.00 60.65 59.23 3fbc s ILE 111 Cb 0.00 -0.51 -0.04 0.00 0.13 0.00 0.00 42.46 42.04 3fbc s ILE 111 CO 0.00 0.01 0.07 -2.28 -1.91 0.00 0.00 174.94 170.83 3fbc s HIS 112 N 0.50 3.35 0.01 3.50 5.65 -0.09 -4.95 115.29 123.26 3fbc s HIS 112 Ca -0.03 0.34 0.02 0.00 0.25 0.00 0.00 55.06 55.64 3fbc s HIS 112 Cb -0.04 -1.85 -0.01 0.00 -1.18 0.00 0.00 32.58 29.50 3fbc s HIS 112 CO -0.03 0.59 -0.06 0.00 -0.65 0.00 0.00 174.74 174.60 3fbc s ALA 113 N -0.97 0.44 0.26 1.58 0.00 -1.26 -0.86 121.76 120.95 3fbc s ALA 113 Ca 0.15 -0.38 -0.31 0.00 0.00 0.00 0.00 51.96 51.42 3fbc s ALA 113 Cb -0.12 -0.05 -0.13 0.00 0.00 0.00 0.00 23.12 22.83 3fbc s ALA 113 CO 0.04 0.05 1.44 0.43 0.00 0.00 0.00 175.76 177.72 3fbc n SER 114 N 2.47 3.00 0.00 0.00 7.64 -0.99 -4.91 113.62 120.83 3fbc n SER 114 Ca -0.16 1.15 0.11 0.00 1.01 0.00 0.00 58.87 60.98 3fbc n SER 114 Cb 0.57 -1.47 0.15 0.00 -1.01 0.00 0.00 64.21 62.45 3fbc n SER 114 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3fbc n ASP 115 N 2.01 0.63 -3.53 6.43 5.68 -1.26 -4.71 116.55 121.79 3fbc n ASP 115 Ca 0.10 -0.44 -0.08 0.00 -0.50 0.00 0.00 54.79 53.88 3fbc n ASP 115 Cb 0.33 0.45 -0.01 0.00 -1.14 0.00 0.00 41.12 40.76 3fbc n ASP 115 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3fbc s SER 116 N -3.03 -0.15 0.26 -1.12 1.04 -1.26 -4.97 113.70 104.47 3fbc s SER 116 Ca 0.10 -0.81 -0.04 0.00 0.48 0.00 0.00 55.95 55.67 3fbc s SER 116 Cb 0.17 0.77 0.30 0.00 0.10 0.00 0.00 66.02 67.36 3fbc s SER 116 CO 0.75 -1.46 1.85 -0.33 0.98 0.00 0.00 173.24 175.02 3fbc h GLU 117 N 2.01 1.07 -0.29 4.02 5.08 -1.95 0.42 114.58 124.93 3fbc h GLU 117 Ca -0.24 -0.16 -0.00 0.00 -1.00 0.00 0.00 59.36 57.96 3fbc h GLU 117 Cb 1.25 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 3fbc h GLU 117 CO 0.30 0.84 0.17 -0.44 -1.00 0.00 0.00 179.01 178.88 3fbc h ASP 118 N 1.06 0.36 -0.50 1.42 5.19 -1.99 -1.03 116.42 120.93 3fbc h ASP 118 Ca 0.25 -0.07 -0.06 0.00 -0.62 0.00 0.00 57.03 56.54 3fbc h ASP 118 Cb 0.14 -0.09 -0.02 0.00 0.18 0.00 0.00 39.33 39.53 3fbc h ASP 118 CO -0.03 0.32 0.10 0.28 -3.12 0.00 0.00 179.24 176.80 3fbc h SER 119 N 0.37 0.82 0.34 6.45 0.02 -1.85 -1.93 113.55 117.77 3fbc h SER 119 Ca 0.10 -0.17 -0.02 0.00 -0.84 0.00 0.00 61.79 60.87 3fbc h SER 119 Cb 0.04 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.36 3fbc h SER 119 CO -0.02 0.83 -0.16 0.00 -1.14 0.00 0.00 176.83 176.34 3fbc h ALA 120 N 1.28 -0.78 -1.12 3.77 0.00 -0.59 0.64 119.26 122.47 3fbc h ALA 120 Ca 0.18 -0.10 0.42 0.00 0.00 0.00 0.00 54.91 55.40 3fbc h ALA 120 Cb 0.35 0.18 -0.16 0.00 0.00 0.00 0.00 17.79 18.16 3fbc h ALA 120 CO 0.01 -0.74 0.65 0.28 0.00 0.00 0.00 179.25 179.44 3fbc h VAL 121 N -0.63 0.06 0.01 0.00 2.07 -1.27 0.56 116.25 117.05 3fbc h VAL 121 Ca -0.05 -0.02 -0.06 0.00 0.82 0.00 0.00 66.70 67.39 3fbc h VAL 121 Cb 0.35 -0.00 0.01 0.00 -1.52 0.00 0.00 31.29 30.12 3fbc h VAL 121 CO 0.08 0.01 -0.26 -0.78 0.02 0.00 0.00 177.57 176.64 3fbc h ASP 122 N 0.06 0.21 -0.13 0.57 1.82 -1.19 -3.17 116.42 114.59 3fbc h ASP 122 Ca 0.84 -0.82 -0.06 0.00 -0.39 0.00 0.00 57.03 56.60 3fbc h ASP 122 Cb 2.32 -0.06 -0.00 0.00 0.68 0.00 0.00 39.33 42.27 3fbc h ASP 122 CO -0.64 1.00 -0.16 -0.33 -1.61 0.00 0.00 179.24 177.50 3fbc h GLU 123 N -0.56 0.33 -0.96 0.28 5.08 0.22 -2.96 114.58 116.01 3fbc h GLU 123 Ca -0.04 -0.19 0.22 0.00 -1.00 0.00 0.00 59.36 58.36 3fbc h GLU 123 Cb 1.05 0.01 -0.12 0.00 0.50 0.00 0.00 28.75 30.19 3fbc h GLU 123 CO 0.05 0.75 0.53 0.82 -1.00 0.00 0.00 179.01 180.16 3fbc h ILE 124 N -0.07 0.58 -0.45 3.13 2.04 -0.11 -0.65 117.51 121.97 3fbc h ILE 124 Ca 0.02 -0.20 -0.02 0.00 1.00 0.00 0.00 64.86 65.66 3fbc h ILE 124 Cb 0.71 -0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 3fbc h ILE 124 CO 0.04 0.11 0.21 0.28 0.00 0.00 0.00 178.15 178.78 3fbc h SER 125 N 0.58 0.61 -0.07 1.72 0.02 -1.50 0.34 113.55 115.25 3fbc h SER 125 Ca 0.59 -0.14 0.04 0.00 -0.84 0.00 0.00 61.79 61.44 3fbc h SER 125 Cb 1.05 -0.16 -0.05 0.00 0.14 0.00 0.00 62.40 63.38 3fbc h SER 125 CO -0.46 0.58 -0.28 0.40 -1.14 0.00 0.00 176.83 175.93 3fbc h ILE 126 N 0.59 0.37 0.00 3.27 2.04 -0.97 -1.61 117.51 121.19 3fbc h ILE 126 Ca 0.15 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.01 3fbc h ILE 126 Cb 0.15 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 36.59 3fbc h ILE 126 CO -0.02 0.00 -0.52 -0.50 0.00 0.00 0.00 178.15 177.11 3fbc h TRP 127 N -0.38 0.00 -2.08 1.37 4.06 -1.33 -3.37 115.95 114.22 3fbc h TRP 127 Ca 0.08 0.00 -0.51 0.00 2.06 0.00 0.00 58.89 60.52 3fbc h TRP 127 Cb 0.50 0.00 -0.41 0.00 -1.00 0.00 0.00 29.16 28.26 3fbc h TRP 127 CO -0.34 0.00 -1.04 1.19 -3.56 0.00 0.00 178.44 174.68 3fbc n PHE 128 N -2.67 1.22 -0.30 0.49 3.72 0.12 -4.96 117.46 115.07 3fbc n PHE 128 Ca 0.02 -3.86 0.10 0.00 -0.05 0.00 0.00 57.45 53.66 3fbc n PHE 128 Cb 0.51 -0.44 0.22 0.00 -0.94 0.00 0.00 39.48 38.83 3fbc n PHE 128 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3fbc h PRO 129 N 3.03 0.06 0.00 -1.08 0.13 -1.46 -3.42 132.00 129.26 3fbc h PRO 129 Ca 0.11 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 3fbc h PRO 129 Cb 0.84 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.96 3fbc h PRO 129 CO 0.59 0.04 0.00 -0.85 -0.23 0.00 0.00 178.00 177.55