#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fbc s GLN 2 N 0.00 1.69 0.01 1.96 -0.21 -0.90 -4.92 119.66 117.29 3fbc s GLN 2 Ca 0.00 -1.93 0.08 0.00 0.02 0.00 0.00 55.36 53.54 3fbc s GLN 2 Cb 0.00 -1.11 -0.02 0.00 1.00 0.00 0.00 33.01 32.88 3fbc s GLN 2 CO 0.00 -0.10 -0.25 1.03 -2.12 0.00 0.00 175.29 173.85 3fbc s ARG 3 N -3.81 1.99 0.10 2.91 1.81 -1.26 -2.02 118.95 118.67 3fbc s ARG 3 Ca 0.34 -1.00 0.00 0.00 -1.72 0.00 0.00 55.73 53.36 3fbc s ARG 3 Cb 0.08 -2.03 -0.04 0.00 -0.45 0.00 0.00 34.95 32.50 3fbc s ARG 3 CO 0.15 0.54 -0.03 -0.08 -0.68 0.00 0.00 175.30 175.21 3fbc s THR 4 N -0.71 0.44 -0.13 0.02 -1.32 -0.50 -4.76 115.64 108.67 3fbc s THR 4 Ca 0.11 -1.89 -0.04 0.00 -1.21 0.00 0.00 61.69 58.65 3fbc s THR 4 Cb -0.10 -1.73 -0.03 0.00 -1.51 0.00 0.00 72.50 69.12 3fbc s THR 4 CO 0.01 -0.81 0.02 -0.22 -2.21 0.00 0.00 174.62 171.40 3fbc s LEU 5 N -3.02 3.62 -0.04 9.08 2.96 -1.26 -1.52 118.68 128.50 3fbc s LEU 5 Ca 0.13 0.08 0.05 0.00 -0.22 0.00 0.00 54.13 54.17 3fbc s LEU 5 Cb 0.07 -1.87 -0.01 0.00 0.50 0.00 0.00 46.19 44.88 3fbc s LEU 5 CO -0.05 0.27 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.38 3fbc s VAL 6 N -0.23 1.53 -0.11 1.68 1.01 0.28 -2.10 120.40 122.47 3fbc s VAL 6 Ca 0.06 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.26 3fbc s VAL 6 Cb -0.12 -1.31 -0.02 0.00 0.00 0.00 0.00 36.38 34.93 3fbc s VAL 6 CO 0.02 0.44 -0.11 -0.76 0.00 0.00 0.00 175.10 174.68 3fbc s LEU 7 N -0.07 2.85 -0.42 3.92 1.43 0.01 -0.06 118.68 126.35 3fbc s LEU 7 Ca -0.02 -0.23 -0.17 0.00 -1.03 0.00 0.00 54.13 52.68 3fbc s LEU 7 Cb -0.11 -1.63 0.02 0.00 0.03 0.00 0.00 46.19 44.50 3fbc s LEU 7 CO 0.02 0.23 0.43 -0.63 0.23 0.00 0.00 176.35 176.63 3fbc s ILE 8 N -0.04 5.10 0.79 -0.59 1.01 0.46 -0.00 121.20 127.93 3fbc s ILE 8 Ca -0.02 -0.34 -0.11 0.00 0.00 0.00 0.00 60.65 60.18 3fbc s ILE 8 Cb -0.14 -4.03 0.07 0.00 0.01 0.00 0.00 42.46 38.37 3fbc s ILE 8 CO 0.04 -0.40 1.09 -0.54 0.00 0.00 0.00 174.94 175.12 3fbc s LYS 9 N 2.11 2.12 0.44 2.79 1.02 0.57 -2.66 119.74 126.13 3fbc s LYS 9 Ca 0.12 0.94 0.18 0.00 0.02 0.00 0.00 55.97 57.23 3fbc s LYS 9 Cb -0.17 -1.90 1.12 0.00 -0.52 0.00 0.00 37.83 36.36 3fbc s LYS 9 CO 0.13 -1.67 1.89 -1.35 -0.92 0.00 0.00 175.35 173.43 3fbc h PRO 10 N -1.14 0.35 0.00 -1.68 0.11 -1.83 -0.47 132.00 127.33 3fbc h PRO 10 Ca -0.46 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.58 3fbc h PRO 10 Cb 1.25 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 3fbc h PRO 10 CO 0.55 0.23 -0.23 0.38 -0.21 0.00 0.00 178.00 178.71 3fbc h ASP 11 N 0.36 0.00 -0.84 -2.05 2.03 -1.90 -0.08 116.42 113.93 3fbc h ASP 11 Ca 0.41 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 56.68 3fbc h ASP 11 Cb 1.08 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 39.54 3fbc h ASP 11 CO -0.13 0.23 0.39 0.00 -1.03 0.00 0.00 179.24 178.70 3fbc h ALA 12 N 1.77 1.11 -0.25 4.15 0.00 -1.33 -1.33 119.26 123.37 3fbc h ALA 12 Ca -0.00 -0.17 -0.18 0.00 0.00 0.00 0.00 54.91 54.55 3fbc h ALA 12 Cb 0.50 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 3fbc h ALA 12 CO 0.03 0.67 -0.57 0.74 0.00 0.00 0.00 179.25 180.11 3fbc h PHE 13 N 1.20 1.01 -0.39 0.00 -1.00 -1.14 0.12 116.94 116.75 3fbc h PHE 13 Ca 0.29 -0.37 0.06 0.00 2.81 0.00 0.00 57.97 60.76 3fbc h PHE 13 Cb 0.13 -0.19 -0.05 0.00 3.61 0.00 0.00 35.95 39.46 3fbc h PHE 13 CO 0.02 1.18 0.08 1.49 -1.61 0.00 0.00 178.31 179.47 3fbc h GLU 14 N 0.61 0.20 -0.54 1.51 4.57 -0.93 -2.50 114.58 117.51 3fbc h GLU 14 Ca 0.01 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 3fbc h GLU 14 Cb 1.17 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.71 3fbc h GLU 14 CO 0.12 0.13 0.00 0.54 -1.18 0.00 0.00 179.01 178.63 3fbc n ARG 15 N -5.09 2.34 -3.88 1.92 1.74 -0.52 -4.94 116.66 108.22 3fbc n ARG 15 Ca 0.02 -2.07 -0.25 0.00 -0.77 0.00 0.00 57.85 54.78 3fbc n ARG 15 Cb 0.17 -1.46 -0.00 0.00 -1.02 0.00 0.00 32.46 30.15 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 1.20 -0.96 -0.62 0.55 7.64 -0.32 -4.86 113.62 116.25 3fbc n SER 16 Ca 0.19 -0.93 0.05 0.00 1.01 0.00 0.00 58.87 59.20 3fbc n SER 16 Cb 0.50 -3.42 0.15 0.00 -1.01 0.00 0.00 64.21 60.43 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 -4.37 2.90 0.15 -3.43 4.77 0.26 -4.74 117.00 112.54 3fbc n LEU 17 Ca -0.27 -2.01 -0.14 0.00 -0.03 0.00 0.00 56.01 53.56 3fbc n LEU 17 Cb 0.67 -0.23 -0.06 0.00 -2.33 0.00 0.00 43.42 41.47 3fbc n LEU 17 CO 0.73 0.72 0.68 0.58 -1.33 0.00 0.00 177.39 178.78 3fbc h VAL 18 N 1.94 0.41 -0.35 4.08 2.07 -1.89 -0.69 116.25 121.82 3fbc h VAL 18 Ca 0.00 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.42 3fbc h VAL 18 Cb 0.73 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 3fbc h VAL 18 CO 0.00 0.00 -0.19 0.00 0.02 0.00 0.00 177.57 177.40 3fbc h ALA 19 N 0.12 1.00 -0.29 1.67 0.00 -1.94 -1.87 119.26 117.95 3fbc h ALA 19 Ca 0.01 -0.34 0.05 0.00 0.00 0.00 0.00 54.91 54.63 3fbc h ALA 19 Cb 0.53 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 3fbc h ALA 19 CO -0.10 0.59 -0.03 1.49 0.00 0.00 0.00 179.25 181.20 3fbc h GLU 20 N 0.59 0.05 -0.00 0.00 4.57 -1.77 0.58 114.58 118.59 3fbc h GLU 20 Ca 0.09 -0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.27 3fbc h GLU 20 Cb 0.66 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.24 3fbc h GLU 20 CO 0.05 0.03 0.00 0.82 -1.18 0.00 0.00 179.01 178.73 3fbc h ILE 21 N 0.05 1.06 -0.60 2.32 2.04 -0.88 -2.60 117.51 118.90 3fbc h ILE 21 Ca 0.14 -0.18 -0.06 0.00 1.00 0.00 0.00 64.86 65.76 3fbc h ILE 21 Cb 0.20 1.18 -0.03 0.00 -0.74 0.00 0.00 36.82 37.43 3fbc h ILE 21 CO -0.26 0.05 0.14 0.24 0.00 0.00 0.00 178.15 178.31 3fbc h MET 22 N -0.07 0.94 -1.00 2.37 2.86 -0.96 -2.47 114.93 116.61 3fbc h MET 22 Ca 0.00 -0.21 0.11 0.00 -2.06 0.00 0.00 59.70 57.54 3fbc h MET 22 Cb 0.08 -0.13 -0.08 0.00 0.06 0.00 0.00 31.60 31.52 3fbc h MET 22 CO -0.00 0.85 0.63 0.78 1.06 0.00 0.00 176.91 180.23 3fbc h GLY 23 N 1.02 1.61 1.58 8.32 0.00 0.30 0.18 103.07 116.08 3fbc h GLY 23 Ca 0.19 -0.43 -0.10 0.00 0.00 0.00 0.00 47.33 47.00 3fbc h GLY 23 CO 0.00 0.19 -0.25 3.21 0.00 0.00 0.00 176.54 179.69 3fbc h ARG 24 N 1.02 0.49 -0.03 4.80 3.08 -1.05 0.16 114.38 122.84 3fbc h ARG 24 Ca 0.48 -0.18 -0.13 0.00 0.07 0.00 0.00 59.98 60.21 3fbc h ARG 24 Cb 0.43 -0.03 0.01 0.00 0.08 0.00 0.00 29.97 30.46 3fbc h ARG 24 CO -0.25 0.70 -0.50 0.82 -1.07 0.00 0.00 179.97 179.68 3fbc h ILE 25 N 0.43 1.43 -0.16 2.04 2.04 -1.22 -3.12 117.51 118.95 3fbc h ILE 25 Ca 0.06 -1.95 0.05 0.00 1.00 0.00 0.00 64.86 64.02 3fbc h ILE 25 Cb 0.67 2.49 -0.05 0.00 -0.74 0.00 0.00 36.82 39.19 3fbc h ILE 25 CO 0.05 0.57 -0.16 -0.08 0.00 0.00 0.00 178.15 178.52 3fbc h GLU 26 N -0.11 -0.18 0.00 2.37 4.81 -0.44 -2.39 114.58 118.63 3fbc h GLU 26 Ca -0.05 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3fbc h GLU 26 Cb 1.19 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.61 3fbc h GLU 26 CO 0.10 -0.12 0.00 1.63 -0.73 0.00 0.00 179.01 179.89 3fbc n LYS 27 N -5.31 0.00 -0.29 1.92 5.02 0.54 0.04 118.16 120.07 3fbc n LYS 27 Ca -0.02 0.39 0.10 0.00 -2.02 0.00 0.00 58.31 56.76 3fbc n LYS 27 Cb 0.23 -1.50 0.27 0.00 -0.02 0.00 0.00 35.03 34.00 3fbc n LYS 27 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3fbc n LYS 28 N -1.51 2.40 -2.61 1.97 3.00 -0.91 -4.96 118.16 115.53 3fbc n LYS 28 Ca 0.02 -2.16 -0.09 0.00 -0.00 0.00 0.00 58.31 56.07 3fbc n LYS 28 Cb 0.08 -1.48 0.02 0.00 0.00 0.00 0.00 35.03 33.65 3fbc n LYS 28 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 3fbc n ASN 29 N 1.27 -3.45 -4.85 3.14 4.05 0.11 -5.05 115.26 110.48 3fbc n ASN 29 Ca 0.20 -0.13 -0.33 0.00 0.45 0.00 0.00 54.58 54.77 3fbc n ASN 29 Cb 0.52 -2.32 -0.06 0.00 1.23 0.00 0.00 39.78 39.15 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 -2.83 3.43 -0.09 1.20 0.40 -1.19 -4.91 117.98 113.99 3fbc s PHE 30 Ca 0.14 0.29 -0.01 0.00 -0.60 0.00 0.00 56.93 56.75 3fbc s PHE 30 Cb -0.06 -1.79 -0.03 0.00 0.51 0.00 0.00 43.02 41.65 3fbc s PHE 30 CO 0.17 0.61 -0.04 0.15 0.70 0.00 0.00 175.22 176.80 3fbc s LYS 31 N -1.83 2.96 0.07 0.44 -0.14 -0.70 -4.52 119.74 116.02 3fbc s LYS 31 Ca 0.25 -0.50 -0.31 0.00 -1.36 0.00 0.00 55.97 54.05 3fbc s LYS 31 Cb -0.12 -2.70 -0.07 0.00 -1.68 0.00 0.00 37.83 33.26 3fbc s LYS 31 CO 0.16 0.61 1.36 0.42 -0.76 0.00 0.00 175.35 177.14 3fbc s ILE 32 N -0.64 3.57 -0.17 2.17 1.01 -1.26 -0.82 121.20 125.05 3fbc s ILE 32 Ca 0.10 1.08 0.03 0.00 0.00 0.00 0.00 60.65 61.86 3fbc s ILE 32 Cb -0.12 -3.69 -0.12 0.00 0.01 0.00 0.00 42.46 38.54 3fbc s ILE 32 CO 0.02 0.05 -0.12 0.52 0.00 0.00 0.00 174.94 175.41 3fbc n VAL 33 N 4.19 0.99 -3.62 2.92 0.31 1.00 -4.92 118.33 119.20 3fbc n VAL 33 Ca 0.12 -0.41 -0.10 0.00 -0.01 0.00 0.00 64.34 63.93 3fbc n VAL 33 Cb 0.43 -1.05 -0.02 0.00 -0.91 0.00 0.00 33.84 32.29 3fbc n VAL 33 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3fbc s SER 34 N -5.55 -0.42 -0.28 4.52 1.04 -1.16 -4.99 113.70 106.87 3fbc s SER 34 Ca -0.21 -0.28 -0.24 0.00 0.48 0.00 0.00 55.95 55.69 3fbc s SER 34 Cb 0.06 0.65 0.10 0.00 0.10 0.00 0.00 66.02 66.93 3fbc s SER 34 CO 0.43 -1.13 0.89 -0.32 0.98 0.00 0.00 173.24 174.09 3fbc s MET 35 N -3.83 0.65 -0.02 4.02 0.00 -1.26 -1.09 119.30 117.77 3fbc s MET 35 Ca 0.06 0.79 0.02 0.00 0.00 0.00 0.00 55.69 56.56 3fbc s MET 35 Cb -0.03 0.30 0.00 0.00 0.00 0.00 0.00 34.83 35.11 3fbc s MET 35 CO -0.04 -0.08 -0.06 0.15 0.00 0.00 0.00 175.02 174.99 3fbc s LYS 36 N 0.39 0.60 -0.17 4.11 1.02 -0.29 -5.00 119.74 120.40 3fbc s LYS 36 Ca 0.01 -0.19 -0.11 0.00 0.02 0.00 0.00 55.97 55.70 3fbc s LYS 36 Cb -0.05 -0.59 -0.05 0.00 -0.52 0.00 0.00 37.83 36.62 3fbc s LYS 36 CO -0.04 0.07 0.21 0.12 -0.92 0.00 0.00 175.35 174.79 3fbc s PHE 37 N 0.17 3.47 -0.24 3.18 5.36 -1.26 -1.64 117.98 127.02 3fbc s PHE 37 Ca -0.02 0.49 0.00 0.00 -0.96 0.00 0.00 56.93 56.45 3fbc s PHE 37 Cb -0.06 -2.22 0.07 0.00 -0.34 0.00 0.00 43.02 40.46 3fbc s PHE 37 CO -0.00 0.33 -0.03 -1.58 -1.46 0.00 0.00 175.22 172.48 3fbc s TRP 38 N 0.19 2.29 0.26 10.12 0.52 -0.28 -4.99 118.94 127.06 3fbc s TRP 38 Ca 0.13 -1.74 -0.03 0.00 0.02 0.00 0.00 56.10 54.48 3fbc s TRP 38 Cb -0.12 -1.61 0.34 0.00 -1.15 0.00 0.00 33.47 30.92 3fbc s TRP 38 CO 0.02 -0.78 1.80 0.66 0.02 0.00 0.00 176.95 178.67 3fbc h SER 39 N 7.97 0.83 -2.84 2.95 4.64 -1.89 0.17 113.55 125.38 3fbc h SER 39 Ca -0.17 -0.16 -0.25 0.00 -0.47 0.00 0.00 61.79 60.74 3fbc h SER 39 Cb 1.07 -0.22 -0.34 0.00 -0.31 0.00 0.00 62.40 62.60 3fbc h SER 39 CO 0.41 0.82 -0.57 -0.75 -0.87 0.00 0.00 176.83 175.87 3fbc s LYS 40 N -5.20 0.13 0.28 4.77 2.20 -1.26 -2.97 119.74 117.69 3fbc s LYS 40 Ca -0.10 0.60 -0.29 0.00 -0.36 0.00 0.00 55.97 55.82 3fbc s LYS 40 Cb 0.15 -0.31 -0.10 0.00 -1.51 0.00 0.00 37.83 36.07 3fbc s LYS 40 CO 0.81 -0.36 1.30 0.00 -0.36 0.00 0.00 175.35 176.74 3fbc s ALA 41 N 2.38 3.51 -0.18 3.13 0.00 -1.26 -4.93 121.76 124.40 3fbc s ALA 41 Ca 0.03 1.19 -0.36 0.00 0.00 0.00 0.00 51.96 52.82 3fbc s ALA 41 Cb -0.13 -3.47 -0.13 0.00 0.00 0.00 0.00 23.12 19.39 3fbc s ALA 41 CO -0.09 -0.57 1.87 -2.30 0.00 0.00 0.00 175.76 174.67 3fbc n PRO 42 N 1.49 1.72 0.15 0.00 -0.02 -1.26 -4.85 135.00 132.23 3fbc n PRO 42 Ca 0.02 0.62 0.17 0.00 -2.02 0.00 0.00 63.50 62.29 3fbc n PRO 42 Cb 0.42 -2.45 0.76 0.00 -0.02 0.00 0.00 33.50 32.22 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 8.89 0.00 0.05 -0.52 2.43 -1.98 -0.61 114.38 122.64 3fbc h ARG 43 Ca -0.46 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 58.71 3fbc h ARG 43 Cb 1.29 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.84 3fbc h ARG 43 CO 0.96 0.00 -0.02 -0.97 -1.51 0.00 0.00 179.97 178.43 3fbc h ASN 44 N 0.00 -0.06 -0.81 -3.80 -0.00 -2.00 -1.45 115.58 107.46 3fbc h ASN 44 Ca 0.13 -0.03 0.10 0.00 -0.00 0.00 0.00 56.30 56.50 3fbc h ASN 44 Cb 0.62 0.01 -0.07 0.00 -0.00 0.00 0.00 38.32 38.88 3fbc h ASN 44 CO -0.00 -0.01 0.46 -0.07 -0.00 0.00 0.00 177.43 177.81 3fbc h LEU 45 N -0.10 0.65 -0.45 0.34 4.07 -1.49 -1.17 115.31 117.16 3fbc h LEU 45 Ca -0.01 0.05 -0.03 0.00 0.08 0.00 0.00 57.88 57.98 3fbc h LEU 45 Cb 0.08 -0.07 -0.02 0.00 1.08 0.00 0.00 40.66 41.73 3fbc h LEU 45 CO 0.01 0.37 0.18 0.40 -1.08 0.00 0.00 178.44 178.31 3fbc h ILE 46 N 0.76 1.20 -0.59 1.22 1.08 -1.33 -1.05 117.51 118.81 3fbc h ILE 46 Ca 0.39 -0.64 -0.04 0.00 -0.39 0.00 0.00 64.86 64.19 3fbc h ILE 46 Cb 0.37 0.79 -0.03 0.00 -3.07 0.00 0.00 36.82 34.88 3fbc h ILE 46 CO -0.25 0.23 0.21 -0.33 -0.69 0.00 0.00 178.15 177.33 3fbc h GLU 47 N 0.58 0.89 0.07 2.37 5.08 -0.61 -1.75 114.58 121.22 3fbc h GLU 47 Ca 0.15 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3fbc h GLU 47 Cb 0.20 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.31 3fbc h GLU 47 CO -0.01 0.78 -0.04 1.96 -1.00 0.00 0.00 179.01 180.70 3fbc h GLN 48 N 0.82 -0.10 -0.32 2.33 4.20 -1.17 0.13 115.11 121.00 3fbc h GLN 48 Ca 0.19 0.01 0.09 0.00 0.06 0.00 0.00 58.65 59.00 3fbc h GLN 48 Cb 0.24 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 3fbc h GLN 48 CO -0.01 -0.05 0.28 1.25 -0.67 0.00 0.00 178.83 179.63 3fbc h HIS 49 N -0.12 0.00 -0.10 2.96 2.76 -0.75 -1.60 115.15 118.29 3fbc h HIS 49 Ca -0.01 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 3fbc h HIS 49 Cb 0.09 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.05 3fbc h HIS 49 CO -0.07 0.00 0.00 0.66 -1.30 0.00 0.00 177.93 177.22 3fbc n TYR 50 N -4.09 0.19 -0.24 5.26 0.53 -0.70 -4.78 117.16 113.34 3fbc n TYR 50 Ca 0.05 -0.63 -0.00 0.00 -1.02 0.00 0.00 57.90 56.30 3fbc n TYR 50 Cb 0.44 -0.09 0.03 0.00 -1.03 0.00 0.00 39.34 38.70 3fbc n TYR 50 CO 0.00 0.00 0.00 0.36 -1.02 0.00 0.00 176.86 176.20 3fbc n LYS 51 N -0.44 -0.14 -0.59 -0.72 2.85 0.45 0.83 118.16 120.40 3fbc n LYS 51 Ca 0.08 0.99 0.47 0.00 -1.05 0.00 0.00 58.31 58.79 3fbc n LYS 51 Cb 0.42 -1.46 0.75 0.00 -0.65 0.00 0.00 35.03 34.08 3fbc n LYS 51 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 3fbc n GLU 52 N -4.95 -0.02 0.00 -1.58 4.07 -1.26 -0.51 120.64 116.38 3fbc n GLU 52 Ca 0.07 1.15 0.12 0.00 -0.06 0.00 0.00 57.16 58.44 3fbc n GLU 52 Cb 0.26 -2.46 0.05 0.00 -0.06 0.00 0.00 31.44 29.23 3fbc n GLU 52 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79 3fbc n HIS 53 N -4.28 0.00 0.23 4.31 8.25 0.24 -4.56 115.22 119.41 3fbc n HIS 53 Ca 0.42 0.00 0.17 0.00 -0.26 0.00 0.00 57.72 58.05 3fbc n HIS 53 Cb 1.79 0.00 0.74 0.00 1.12 0.00 0.00 29.99 33.64 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 3.63 0.00 0.91 0.41 4.64 -0.83 0.19 113.55 122.50 3fbc h SER 54 Ca 0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 3fbc h SER 54 Cb 0.88 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.96 3fbc h SER 54 CO 0.00 0.00 -1.13 -0.33 -0.87 0.00 0.00 176.83 174.50 3fbc h GLU 55 N 0.00 0.00 -7.09 4.77 3.07 -1.81 -3.47 114.58 110.05 3fbc h GLU 55 Ca 0.09 0.00 -0.52 0.00 -0.50 0.00 0.00 59.36 58.43 3fbc h GLU 55 Cb 0.96 0.00 0.10 0.00 -0.84 0.00 0.00 28.75 28.97 3fbc h GLU 55 CO -0.00 0.10 0.46 -0.65 -1.40 0.00 0.00 179.01 177.52 3fbc s GLN 56 N -3.22 3.11 0.45 2.33 -1.52 0.67 -4.92 119.66 116.56 3fbc s GLN 56 Ca -0.01 1.76 0.24 0.00 -1.95 0.00 0.00 55.36 55.41 3fbc s GLN 56 Cb 0.09 -1.97 0.56 0.00 -0.22 0.00 0.00 33.01 31.47 3fbc s GLN 56 CO 0.80 -1.08 1.68 0.66 -0.25 0.00 0.00 175.29 177.10 3fbc h SER 57 N 1.02 0.00 0.65 5.90 4.64 -1.89 -2.92 113.55 120.94 3fbc h SER 57 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 3fbc h SER 57 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 3fbc h SER 57 CO 0.56 0.06 0.00 0.00 -0.87 0.00 0.00 176.83 176.58 3fbc n TYR 58 N -3.13 0.00 -0.26 4.77 0.18 -1.26 -4.35 117.16 113.11 3fbc n TYR 58 Ca 0.03 0.00 0.07 0.00 1.88 0.00 0.00 57.90 59.88 3fbc n TYR 58 Cb 0.50 -0.37 0.20 0.00 -0.38 0.00 0.00 39.34 39.29 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 0.00 0.28 -0.02 -3.48 3.04 -1.76 -2.03 116.94 112.96 3fbc h PHE 59 Ca 0.00 0.05 -0.26 0.00 3.98 0.00 0.00 57.97 61.74 3fbc h PHE 59 Cb 0.32 -0.00 0.02 0.00 2.56 0.00 0.00 35.95 38.85 3fbc h PHE 59 CO 0.00 -0.12 -1.00 -0.91 -2.02 0.00 0.00 178.31 174.27 3fbc h ASN 60 N 0.25 0.91 -0.78 0.41 2.35 -1.85 -1.82 115.58 115.06 3fbc h ASN 60 Ca 0.44 -0.72 0.09 0.00 -0.55 0.00 0.00 56.30 55.56 3fbc h ASN 60 Cb 0.79 -0.28 -0.05 0.00 0.05 0.00 0.00 38.32 38.83 3fbc h ASN 60 CO -0.55 1.51 0.51 0.44 -1.65 0.00 0.00 177.43 177.69 3fbc h ASP 61 N 0.41 0.67 0.09 5.81 3.32 -1.80 0.08 116.42 125.00 3fbc h ASP 61 Ca -0.12 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 56.94 3fbc h ASP 61 Cb 1.65 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 41.07 3fbc h ASP 61 CO 0.20 0.41 -0.04 0.25 -1.72 0.00 0.00 179.24 178.34 3fbc h LEU 62 N 0.75 -0.10 -0.64 1.55 5.85 -1.07 -0.75 115.31 120.90 3fbc h LEU 62 Ca 0.35 -0.20 -0.04 0.00 0.84 0.00 0.00 57.88 58.84 3fbc h LEU 62 Cb 0.38 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 3fbc h LEU 62 CO -0.13 0.14 0.26 0.00 -0.34 0.00 0.00 178.44 178.37 3fbc h ASP 64 N 0.89 -0.44 -0.53 0.00 3.32 -0.96 -2.70 116.42 116.00 3fbc h ASP 64 Ca 0.21 0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.36 3fbc h ASP 64 Cb 0.20 0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.96 3fbc h ASP 64 CO -0.02 -0.17 0.31 0.15 -1.72 0.00 0.00 179.24 177.79 3fbc h PHE 65 N -0.11 0.72 0.00 4.55 3.04 -0.75 -2.54 116.94 121.85 3fbc h PHE 65 Ca 0.13 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.07 3fbc h PHE 65 Cb 0.31 -0.23 0.00 0.00 2.56 0.00 0.00 35.95 38.58 3fbc h PHE 65 CO -0.31 0.51 0.00 -1.33 -2.02 0.00 0.00 178.31 175.16 3fbc n MET 66 N -4.65 0.29 0.00 1.11 2.81 -0.25 -2.32 117.12 114.11 3fbc n MET 66 Ca 0.03 0.09 0.00 0.00 -1.81 0.00 0.00 57.70 56.01 3fbc n MET 66 Cb 0.07 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.08 3fbc n MET 66 CO 0.00 0.00 0.00 1.55 1.51 0.00 0.00 175.97 179.03 3fbc n VAL 67 N -1.16 0.58 -0.18 2.03 3.14 -0.99 -4.64 118.33 117.11 3fbc n VAL 67 Ca 0.08 -0.62 0.08 0.00 -2.96 0.00 0.00 64.34 60.91 3fbc n VAL 67 Cb 0.08 0.75 0.29 0.00 -1.06 0.00 0.00 33.84 33.91 3fbc n VAL 67 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 3fbc n SER 68 N -0.29 3.93 -3.95 6.55 3.41 -0.98 -4.71 113.62 117.58 3fbc n SER 68 Ca 0.00 -2.35 0.04 0.00 -0.26 0.00 0.00 58.87 56.30 3fbc n SER 68 Cb 0.30 -0.52 0.01 0.00 -0.26 0.00 0.00 64.21 63.74 3fbc n SER 68 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3fbc s GLY 69 N -0.82 -0.23 0.76 5.00 0.00 -1.26 -5.05 107.32 105.71 3fbc s GLY 69 Ca 0.41 0.22 -0.11 0.00 0.00 0.00 0.00 44.72 45.24 3fbc s GLY 69 CO 0.20 6.09 1.10 -4.14 0.00 0.00 0.00 173.10 176.35 3fbc s PRO 70 N -2.01 2.28 0.04 2.90 0.02 -1.16 -4.47 135.00 132.61 3fbc s PRO 70 Ca 0.30 1.24 -0.04 0.00 0.02 0.00 0.00 61.00 62.52 3fbc s PRO 70 Cb 0.01 -1.90 -0.02 0.00 0.02 0.00 0.00 34.50 32.62 3fbc s PRO 70 CO -0.03 -1.63 0.07 0.96 -0.33 0.00 0.00 177.00 176.04 3fbc s ILE 71 N -2.77 0.14 -0.09 2.83 -4.36 0.05 -3.09 121.20 113.91 3fbc s ILE 71 Ca 0.63 -1.18 0.04 0.00 -0.26 0.00 0.00 60.65 59.87 3fbc s ILE 71 Cb -0.18 -0.94 -0.01 0.00 1.25 0.00 0.00 42.46 42.58 3fbc s ILE 71 CO 0.53 -0.65 -0.22 -0.63 0.24 0.00 0.00 174.94 174.21 3fbc s ILE 72 N -2.73 2.24 -0.18 8.37 1.01 -1.09 -1.12 121.20 127.70 3fbc s ILE 72 Ca -0.04 -0.97 -0.05 0.00 0.00 0.00 0.00 60.65 59.59 3fbc s ILE 72 Cb -0.00 -1.85 -0.03 0.00 0.01 0.00 0.00 42.46 40.58 3fbc s ILE 72 CO -0.05 0.56 -0.01 -0.94 0.00 0.00 0.00 174.94 174.50 3fbc s SER 73 N 0.16 4.89 -0.02 3.58 1.04 -0.65 -0.40 113.70 122.30 3fbc s SER 73 Ca -0.12 -0.14 0.05 0.00 0.48 0.00 0.00 55.95 56.21 3fbc s SER 73 Cb -0.16 -1.82 -0.01 0.00 0.10 0.00 0.00 66.02 64.13 3fbc s SER 73 CO 0.07 0.12 -0.17 -0.63 0.98 0.00 0.00 173.24 173.61 3fbc s ILE 74 N 0.66 1.32 -0.30 -1.02 1.01 0.91 -1.14 121.20 122.64 3fbc s ILE 74 Ca -0.01 -0.71 -0.09 0.00 0.00 0.00 0.00 60.65 59.85 3fbc s ILE 74 Cb -0.14 -1.10 -0.00 0.00 0.01 0.00 0.00 42.46 41.22 3fbc s ILE 74 CO 0.02 0.37 0.12 -0.69 0.00 0.00 0.00 174.94 174.77 3fbc s VAL 75 N -0.35 4.38 -0.00 2.92 1.01 -0.25 -0.56 120.40 127.55 3fbc s VAL 75 Ca 0.05 -0.50 -0.01 0.00 0.00 0.00 0.00 61.98 61.53 3fbc s VAL 75 Cb -0.07 -3.23 -0.04 0.00 0.00 0.00 0.00 36.38 33.04 3fbc s VAL 75 CO -0.00 0.08 0.10 -0.31 0.00 0.00 0.00 175.10 174.97 3fbc s TYR 76 N 1.58 3.34 -0.02 5.22 4.12 -0.58 -0.00 117.35 131.01 3fbc s TYR 76 Ca 0.04 0.24 0.04 0.00 0.02 0.00 0.00 57.07 57.41 3fbc s TYR 76 Cb -0.17 -1.76 -0.01 0.00 -1.52 0.00 0.00 41.96 38.51 3fbc s TYR 76 CO 0.05 0.57 -0.15 -2.00 0.02 0.00 0.00 175.55 174.04 3fbc s GLU 77 N -1.79 1.34 0.00 -0.62 2.12 -0.00 -1.41 118.70 118.34 3fbc s GLU 77 Ca 0.24 -0.53 0.00 0.00 0.36 0.00 0.00 54.97 55.04 3fbc s GLU 77 Cb -0.12 -1.25 0.00 0.00 0.26 0.00 0.00 34.13 33.02 3fbc s GLU 77 CO 0.15 0.28 0.00 0.41 -0.54 0.00 0.00 175.26 175.56 3fbc n GLY 78 N 2.90 1.67 3.62 -1.50 0.00 -0.86 -1.71 105.19 109.31 3fbc n GLY 78 Ca -0.16 -0.83 -0.46 0.00 0.00 0.00 0.00 46.02 44.57 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 -0.50 1.24 -3.41 2.61 -1.04 -1.26 -1.50 114.28 110.42 3fbc n THR 79 Ca 0.00 -0.31 -0.23 0.00 -2.04 0.00 0.00 64.05 61.47 3fbc n THR 79 Cb 0.00 -1.11 -0.02 0.00 -1.82 0.00 0.00 70.33 67.38 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 1.79 -3.07 -0.14 8.00 4.64 -1.26 -4.79 116.55 121.72 3fbc n ASP 80 Ca 0.12 -0.39 -0.02 0.00 -1.38 0.00 0.00 54.79 53.12 3fbc n ASP 80 Cb 0.29 -2.58 0.21 0.00 -1.04 0.00 0.00 41.12 38.00 3fbc n ASP 80 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3fbc h ALA 81 N 0.96 1.28 0.51 -1.67 0.00 -1.52 -1.64 119.26 117.18 3fbc h ALA 81 Ca -0.40 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.32 3fbc h ALA 81 Cb 1.26 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.83 3fbc h ALA 81 CO 0.52 0.52 -0.25 0.82 0.00 0.00 0.00 179.25 180.86 3fbc h ILE 82 N 0.83 0.39 -0.32 0.00 2.04 -1.85 -2.44 117.51 116.16 3fbc h ILE 82 Ca 0.19 -0.36 0.05 0.00 1.00 0.00 0.00 64.86 65.74 3fbc h ILE 82 Cb 0.20 0.53 -0.05 0.00 -0.74 0.00 0.00 36.82 36.76 3fbc h ILE 82 CO -0.01 0.05 0.04 -1.28 0.00 0.00 0.00 178.15 176.95 3fbc h SER 83 N -0.94 -0.04 -0.19 1.72 0.87 -1.87 -2.62 113.55 110.47 3fbc h SER 83 Ca -0.07 0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 60.53 3fbc h SER 83 Cb 0.61 0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.66 3fbc h SER 83 CO 0.12 0.01 0.05 0.11 -0.53 0.00 0.00 176.83 176.59 3fbc h LYS 84 N 0.14 0.31 -0.05 2.24 1.79 -1.31 -2.19 116.57 117.51 3fbc h LYS 84 Ca 0.15 -0.08 -0.08 0.00 -2.18 0.00 0.00 60.65 58.47 3fbc h LYS 84 Cb 0.18 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 30.78 3fbc h LYS 84 CO -0.22 0.44 -0.33 0.82 -1.08 0.00 0.00 179.45 179.08 3fbc h ILE 85 N 0.13 1.26 -0.34 1.86 2.04 -1.46 -0.73 117.51 120.27 3fbc h ILE 85 Ca 0.06 -1.22 0.03 0.00 1.00 0.00 0.00 64.86 64.73 3fbc h ILE 85 Cb 0.27 1.60 -0.03 0.00 -0.74 0.00 0.00 36.82 37.92 3fbc h ILE 85 CO 0.00 0.36 0.16 0.03 0.00 0.00 0.00 178.15 178.70 3fbc h ARG 86 N 0.08 0.32 -0.08 2.37 2.47 -1.23 0.79 114.38 119.10 3fbc h ARG 86 Ca 0.01 -0.02 -0.06 0.00 -1.26 0.00 0.00 59.98 58.65 3fbc h ARG 86 Cb 0.63 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.87 3fbc h ARG 86 CO 0.05 0.21 -0.22 0.00 0.56 0.00 0.00 179.97 180.57 3fbc h ARG 87 N 0.33 0.13 -0.08 0.04 3.08 -0.66 -1.08 114.38 116.15 3fbc h ARG 87 Ca 0.14 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 60.10 3fbc h ARG 87 Cb 0.07 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.10 3fbc h ARG 87 CO -0.11 0.35 -0.18 1.25 -1.07 0.00 0.00 179.97 180.22 3fbc h LEU 88 N 0.12 0.30 -0.66 3.04 5.85 -0.69 -2.72 115.31 120.55 3fbc h LEU 88 Ca 0.02 -0.57 0.10 0.00 0.84 0.00 0.00 57.88 58.27 3fbc h LEU 88 Cb 0.47 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.34 3fbc h LEU 88 CO 0.03 0.81 0.28 -0.61 -0.34 0.00 0.00 178.44 178.62 3fbc h GLN 89 N -0.21 0.47 0.00 1.25 4.15 -0.61 0.19 115.11 120.34 3fbc h GLN 89 Ca 0.00 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.39 3fbc h GLN 89 Cb 0.77 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.35 3fbc h GLN 89 CO 0.04 0.31 0.00 0.41 -1.93 0.00 0.00 178.83 177.66 3fbc n GLY 90 N -1.30 1.43 3.20 2.39 0.00 -0.43 -0.87 105.19 109.61 3fbc n GLY 90 Ca 0.10 -0.55 -0.09 0.00 0.00 0.00 0.00 46.02 45.48 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 0.25 0.00 1.61 2.20 -1.26 -4.77 114.94 108.96 3fbc s ASN 91 Ca 0.00 -1.03 0.07 0.00 -0.94 0.00 0.00 52.86 50.96 3fbc s ASN 91 Cb 0.00 0.32 0.40 0.00 -2.00 0.00 0.00 41.25 39.97 3fbc s ASN 91 CO 0.00 -0.75 0.97 2.30 -2.94 0.00 0.00 177.10 176.67 3fbc n ILE 92 N -0.09 0.00 -0.10 0.54 -5.35 -1.26 -2.06 119.36 111.05 3fbc n ILE 92 Ca -0.08 0.00 -0.10 0.00 -0.27 0.00 0.00 62.75 62.29 3fbc n ILE 92 Cb 0.63 -0.33 -0.14 0.00 -1.74 0.00 0.00 39.64 38.05 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 -0.66 0.42 -4.24 7.28 4.77 -1.26 -4.74 117.00 118.57 3fbc n LEU 93 Ca 0.05 -0.02 -0.38 0.00 -0.03 0.00 0.00 56.01 55.63 3fbc n LEU 93 Cb 0.02 0.28 -0.11 0.00 -2.33 0.00 0.00 43.42 41.28 3fbc n LEU 93 CO 0.04 0.53 -0.17 -0.89 -1.33 0.00 0.00 177.39 175.56 3fbc s THR 94 N -2.46 3.85 0.48 -5.08 2.01 -1.03 -5.01 115.64 108.40 3fbc s THR 94 Ca -0.13 -1.44 -0.22 0.00 0.31 0.00 0.00 61.69 60.21 3fbc s THR 94 Cb 0.06 -3.35 -0.09 0.00 0.01 0.00 0.00 72.50 69.13 3fbc s THR 94 CO 0.74 -0.42 0.86 -2.65 -0.69 0.00 0.00 174.62 172.45 3fbc n PRO 95 N 4.81 1.02 0.00 4.92 -0.02 -1.26 -3.35 135.00 141.11 3fbc n PRO 95 Ca -0.10 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 3fbc n PRO 95 Cb 0.43 -1.93 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 3fbc n PRO 95 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fbc n GLY 96 N 1.38 2.67 4.01 -1.23 0.00 -1.26 -4.96 105.19 105.81 3fbc n GLY 96 Ca 0.11 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.47 2.82 0.07 2.61 -4.23 -1.21 -4.92 115.64 108.30 3fbc s THR 97 Ca 0.00 -1.00 -0.32 0.00 -1.18 0.00 0.00 61.69 59.19 3fbc s THR 97 Cb 0.00 -2.82 -0.18 0.00 1.34 0.00 0.00 72.50 70.84 3fbc s THR 97 CO 0.00 0.00 1.64 0.40 -0.54 0.00 0.00 174.62 176.12 3fbc h ILE 98 N 0.55 0.41 -0.02 2.99 2.04 -1.00 0.11 117.51 122.59 3fbc h ILE 98 Ca -0.38 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.41 3fbc h ILE 98 Cb 1.28 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 3fbc h ILE 98 CO 0.44 0.00 -0.34 0.03 0.00 0.00 0.00 178.15 178.28 3fbc h ARG 99 N -0.80 0.03 -0.05 2.37 3.08 -1.23 -1.55 114.38 116.22 3fbc h ARG 99 Ca -0.08 -0.01 -0.15 0.00 0.07 0.00 0.00 59.98 59.81 3fbc h ARG 99 Cb 0.62 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 3fbc h ARG 99 CO 0.12 0.37 -0.63 0.78 -1.07 0.00 0.00 179.97 179.54 3fbc h GLY 100 N 1.05 0.23 0.64 0.04 0.00 -1.18 -2.22 103.07 101.62 3fbc h GLY 100 Ca 0.00 -0.30 -0.23 0.00 0.00 0.00 0.00 47.33 46.81 3fbc h GLY 100 CO 0.05 0.26 -1.78 1.22 0.00 0.00 0.00 176.54 176.29 3fbc n ASP 101 N -3.84 0.56 0.00 0.19 8.00 0.37 -4.28 116.55 117.55 3fbc n ASP 101 Ca -0.02 0.25 0.00 0.00 0.71 0.00 0.00 54.79 55.73 3fbc n ASP 101 Cb 0.64 0.50 0.00 0.00 -0.02 0.00 0.00 41.12 42.24 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 -2.82 0.00 -4.93 0.64 4.77 -0.59 -5.07 117.00 108.99 3fbc n LEU 102 Ca -0.17 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.62 3fbc n LEU 102 Cb 0.94 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 42.02 3fbc n LEU 102 CO 0.44 0.00 0.05 0.00 -1.33 0.00 0.00 177.39 176.55 3fbc s ALA 103 N -1.92 4.23 0.00 -1.18 0.00 -0.84 -5.01 121.76 117.04 3fbc s ALA 103 Ca 0.00 -1.75 0.00 0.00 0.00 0.00 0.00 51.96 50.21 3fbc s ALA 103 Cb 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 23.12 21.80 3fbc s ALA 103 CO 0.00 -0.21 0.00 -1.71 0.00 0.00 0.00 175.76 173.84 3fbc n ASN 104 N -1.65 0.00 -4.20 0.00 5.15 -1.26 -4.75 115.26 108.55 3fbc n ASN 104 Ca 0.04 -0.34 -0.25 0.00 -0.60 0.00 0.00 54.58 53.44 3fbc n ASN 104 Cb 0.60 0.00 -0.15 0.00 -0.53 0.00 0.00 39.78 39.70 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 0.00 2.21 0.59 1.20 -1.08 -1.25 -5.01 116.67 113.33 3fbc s ASP 105 Ca 0.00 -0.39 0.36 0.00 -0.52 0.00 0.00 52.55 52.00 3fbc s ASP 105 Cb 0.00 -0.22 1.78 0.00 -1.46 0.00 0.00 42.92 43.01 3fbc s ASP 105 CO 0.00 0.20 2.15 -0.29 0.52 0.00 0.00 175.17 177.75 3fbc h ILE 106 N 4.59 0.16 0.00 4.11 2.10 -2.02 -3.23 117.51 123.23 3fbc h ILE 106 Ca -0.39 -0.34 -0.40 0.00 1.08 0.00 0.00 64.86 64.81 3fbc h ILE 106 Cb 1.15 1.28 -0.06 0.00 -1.09 0.00 0.00 36.82 38.11 3fbc h ILE 106 CO 0.47 0.03 -2.23 0.61 -1.08 0.00 0.00 178.15 175.95 3fbc n GLY 107 N -0.56 -0.54 3.41 8.18 0.00 -1.26 -4.72 105.19 109.70 3fbc n GLY 107 Ca -0.01 -0.09 -0.45 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.48 3.60 -0.14 1.61 2.02 -1.22 -4.83 118.70 117.27 3fbc s GLU 108 Ca -0.36 -1.99 0.15 0.00 0.02 0.00 0.00 54.97 52.79 3fbc s GLU 108 Cb 0.12 -4.75 0.38 0.00 0.10 0.00 0.00 34.13 29.98 3fbc s GLU 108 CO 0.53 -1.61 1.19 0.27 0.02 0.00 0.00 175.26 175.66 3fbc n ASN 109 N 5.69 1.53 0.00 -0.19 0.23 -1.26 -3.87 115.26 117.40 3fbc n ASN 109 Ca 0.21 -3.24 0.00 0.00 -0.53 0.00 0.00 54.58 51.01 3fbc n ASN 109 Cb 0.48 -0.44 0.00 0.00 -2.08 0.00 0.00 39.78 37.74 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 -0.72 0.00 -3.98 -4.53 4.77 -1.26 -4.81 117.00 106.47 3fbc n LEU 110 Ca 0.14 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 56.03 3fbc n LEU 110 Cb 0.79 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.77 3fbc n LEU 110 CO -0.03 0.00 -0.37 -0.51 -1.33 0.00 0.00 177.39 175.15 3fbc s ILE 111 N 0.00 0.17 -0.04 -0.08 2.07 -1.26 -0.32 121.20 121.75 3fbc s ILE 111 Ca 0.00 -0.86 0.07 0.00 -1.41 0.00 0.00 60.65 58.44 3fbc s ILE 111 Cb 0.00 -0.30 -0.02 0.00 0.13 0.00 0.00 42.46 42.27 3fbc s ILE 111 CO 0.00 -0.44 -0.23 -2.28 -1.91 0.00 0.00 174.94 170.08 3fbc s HIS 112 N -1.32 2.44 -0.03 3.50 5.65 1.00 -4.92 115.29 121.60 3fbc s HIS 112 Ca -0.14 -0.44 0.01 0.00 0.25 0.00 0.00 55.06 54.75 3fbc s HIS 112 Cb -0.09 -1.55 0.01 0.00 -1.18 0.00 0.00 32.58 29.77 3fbc s HIS 112 CO -0.01 -0.03 -0.05 0.00 -0.65 0.00 0.00 174.74 174.01 3fbc s ALA 113 N -0.53 0.57 0.61 1.58 0.00 -1.26 -0.81 121.76 121.92 3fbc s ALA 113 Ca 0.07 -0.11 -0.18 0.00 0.00 0.00 0.00 51.96 51.75 3fbc s ALA 113 Cb -0.11 -0.29 -0.06 0.00 0.00 0.00 0.00 23.12 22.66 3fbc s ALA 113 CO 0.00 0.04 0.69 0.43 0.00 0.00 0.00 175.76 176.93 3fbc n SER 114 N 3.61 -0.39 -0.39 0.00 7.64 -0.89 -4.92 113.62 118.27 3fbc n SER 114 Ca -0.21 0.73 0.04 0.00 1.01 0.00 0.00 58.87 60.44 3fbc n SER 114 Cb 0.53 -1.26 0.08 0.00 -1.01 0.00 0.00 64.21 62.55 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 -0.17 2.25 -3.59 6.43 5.68 -1.26 -4.69 116.55 121.21 3fbc n ASP 115 Ca 0.12 -1.73 -0.08 0.00 -0.50 0.00 0.00 54.79 52.60 3fbc n ASP 115 Cb 0.48 -0.10 -0.02 0.00 -1.14 0.00 0.00 41.12 40.34 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 -0.86 -0.38 0.34 -1.12 1.04 -1.26 -5.00 113.70 106.47 3fbc s SER 116 Ca 0.13 -0.19 0.04 0.00 0.48 0.00 0.00 55.95 56.42 3fbc s SER 116 Cb 0.08 0.53 0.63 0.00 0.10 0.00 0.00 66.02 67.36 3fbc s SER 116 CO 0.10 -0.92 1.90 -0.33 0.98 0.00 0.00 173.24 174.98 3fbc h GLU 117 N 2.00 0.55 -0.04 4.02 5.08 -1.98 -1.16 114.58 123.05 3fbc h GLU 117 Ca -0.26 -0.10 -0.07 0.00 -1.00 0.00 0.00 59.36 57.93 3fbc h GLU 117 Cb 1.26 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.43 3fbc h GLU 117 CO 0.31 0.54 -0.25 -0.44 -1.00 0.00 0.00 179.01 178.16 3fbc h ASP 118 N 0.53 0.29 0.58 1.42 5.19 -1.99 -2.37 116.42 120.07 3fbc h ASP 118 Ca 0.12 -0.69 -0.05 0.00 -0.62 0.00 0.00 57.03 55.79 3fbc h ASP 118 Cb 0.26 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 39.68 3fbc h ASP 118 CO 0.00 0.93 -0.25 0.77 -3.12 0.00 0.00 179.24 177.57 3fbc h SER 119 N -0.34 0.00 0.08 6.45 4.64 -1.95 -0.89 113.55 121.54 3fbc h SER 119 Ca -0.02 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.29 3fbc h SER 119 Cb 0.94 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 3fbc h SER 119 CO 0.05 0.25 -0.04 0.00 -0.87 0.00 0.00 176.83 176.22 3fbc h ALA 120 N 1.75 -0.11 -0.62 5.18 0.00 -1.17 0.28 119.26 124.58 3fbc h ALA 120 Ca -0.00 -0.25 0.09 0.00 0.00 0.00 0.00 54.91 54.75 3fbc h ALA 120 Cb 0.61 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.37 3fbc h ALA 120 CO 0.03 -0.29 0.26 0.28 0.00 0.00 0.00 179.25 179.53 3fbc h VAL 121 N -0.65 0.80 0.08 0.00 2.07 -1.29 -1.42 116.25 115.84 3fbc h VAL 121 Ca -0.01 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 3fbc h VAL 121 Cb 0.53 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 3fbc h VAL 121 CO 0.02 0.08 -0.04 -0.78 0.02 0.00 0.00 177.57 176.87 3fbc h ASP 122 N 0.46 -0.09 0.32 0.57 3.58 -1.09 -2.67 116.42 117.49 3fbc h ASP 122 Ca 0.31 -0.13 -0.07 0.00 0.42 0.00 0.00 57.03 57.56 3fbc h ASP 122 Cb 0.36 0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.42 3fbc h ASP 122 CO -0.29 0.07 -0.32 -0.33 -2.88 0.00 0.00 179.24 175.49 3fbc h GLU 123 N -0.25 0.01 -0.28 0.28 5.08 -0.08 -2.00 114.58 117.33 3fbc h GLU 123 Ca -0.01 -0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.20 3fbc h GLU 123 Cb 0.21 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 3fbc h GLU 123 CO 0.02 0.33 -0.42 0.82 -1.00 0.00 0.00 179.01 178.76 3fbc h ILE 124 N 0.01 1.29 -0.26 3.13 2.04 -1.25 -2.84 117.51 119.63 3fbc h ILE 124 Ca -0.00 -1.60 -0.08 0.00 1.00 0.00 0.00 64.86 64.17 3fbc h ILE 124 Cb 0.58 1.53 -0.01 0.00 -0.74 0.00 0.00 36.82 38.17 3fbc h ILE 124 CO 0.04 0.52 -0.20 0.77 0.00 0.00 0.00 178.15 179.28 3fbc h SER 125 N 0.57 0.46 0.50 1.72 4.64 -1.02 0.12 113.55 120.53 3fbc h SER 125 Ca 0.04 -0.14 -0.02 0.00 -0.47 0.00 0.00 61.79 61.20 3fbc h SER 125 Cb 0.96 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.93 3fbc h SER 125 CO 0.09 0.67 -0.24 0.40 -0.87 0.00 0.00 176.83 176.88 3fbc h ILE 126 N 0.42 0.49 0.00 0.95 2.04 -1.27 -3.01 117.51 117.13 3fbc h ILE 126 Ca 0.07 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.74 3fbc h ILE 126 Cb 0.58 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 37.24 3fbc h ILE 126 CO 0.04 0.03 -0.27 -0.50 0.00 0.00 0.00 178.15 177.45 3fbc h TRP 127 N -0.79 0.00 -1.95 1.37 4.06 -1.46 -3.39 115.95 113.79 3fbc h TRP 127 Ca -0.07 0.00 -0.55 0.00 2.06 0.00 0.00 58.89 60.33 3fbc h TRP 127 Cb 0.57 0.00 -0.38 0.00 -1.00 0.00 0.00 29.16 28.34 3fbc h TRP 127 CO -0.02 0.00 -1.09 1.19 -3.56 0.00 0.00 178.44 174.96 3fbc n PHE 128 N -2.61 -0.46 0.23 0.49 3.72 0.40 -4.99 117.46 114.24 3fbc n PHE 128 Ca 0.04 -3.50 0.08 0.00 -0.05 0.00 0.00 57.45 54.02 3fbc n PHE 128 Cb 0.49 -0.28 0.56 0.00 -0.94 0.00 0.00 39.48 39.31 3fbc n PHE 128 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 3fbc h PRO 129 N 4.03 0.00 0.00 -1.08 0.11 -1.71 -3.40 132.00 129.95 3fbc h PRO 129 Ca 0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.18 3fbc h PRO 129 Cb 0.88 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.99 3fbc h PRO 129 CO 0.45 0.21 0.00 -1.91 -0.21 0.00 0.00 178.00 176.54