#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 0.96 0.07 1.96 -0.21 -0.90 -4.81 119.66 116.73 3fbc s GLN 2 Ca 0.00 -0.68 0.08 0.00 0.02 0.00 0.00 55.36 54.78 3fbc s GLN 2 Cb 0.00 0.42 -0.03 0.00 1.00 0.00 0.00 33.01 34.40 3fbc s GLN 2 CO 0.00 -0.35 -0.22 1.03 -2.12 0.00 0.00 175.29 173.64 3fbc s ARG 3 N -3.44 1.33 0.18 2.91 0.52 -1.26 -1.74 118.95 117.45 3fbc s ARG 3 Ca 0.01 -1.05 -0.08 0.00 -0.52 0.00 0.00 55.73 54.09 3fbc s ARG 3 Cb 0.02 -1.52 -0.01 0.00 0.52 0.00 0.00 34.95 33.95 3fbc s ARG 3 CO -0.09 0.38 0.28 -0.08 0.02 0.00 0.00 175.30 175.81 3fbc s THR 4 N -0.93 0.04 -0.08 0.02 -1.32 -0.57 -4.71 115.64 108.09 3fbc s THR 4 Ca 0.08 -1.53 0.05 0.00 -1.21 0.00 0.00 61.69 59.08 3fbc s THR 4 Cb -0.09 -2.04 -0.01 0.00 -1.51 0.00 0.00 72.50 68.85 3fbc s THR 4 CO 0.03 -0.20 -0.24 -0.22 -2.21 0.00 0.00 174.62 171.78 3fbc s LEU 5 N -3.01 2.14 -0.08 9.08 2.96 -1.26 -0.95 118.68 127.55 3fbc s LEU 5 Ca 0.22 -0.51 0.04 0.00 -0.22 0.00 0.00 54.13 53.66 3fbc s LEU 5 Cb 0.03 -1.41 0.00 0.00 0.50 0.00 0.00 46.19 45.32 3fbc s LEU 5 CO 0.04 0.21 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.39 3fbc s VAL 6 N 0.05 1.69 -0.20 1.68 1.01 0.29 -1.34 120.40 123.59 3fbc s VAL 6 Ca -0.10 -0.81 -0.07 0.00 0.00 0.00 0.00 61.98 61.00 3fbc s VAL 6 Cb -0.16 -1.48 -0.03 0.00 0.00 0.00 0.00 36.38 34.71 3fbc s VAL 6 CO 0.06 0.48 0.04 -0.76 0.00 0.00 0.00 175.10 174.92 3fbc s LEU 7 N 0.38 3.60 -0.47 3.92 1.43 0.63 -0.43 118.68 127.73 3fbc s LEU 7 Ca -0.15 -0.04 -0.22 0.00 -1.03 0.00 0.00 54.13 52.69 3fbc s LEU 7 Cb -0.16 -1.92 0.03 0.00 0.03 0.00 0.00 46.19 44.17 3fbc s LEU 7 CO 0.06 0.12 0.72 -0.63 0.23 0.00 0.00 176.35 176.85 3fbc s ILE 8 N 0.71 4.72 0.86 -0.59 -1.09 0.59 -0.80 121.20 125.61 3fbc s ILE 8 Ca 0.02 0.13 -0.12 0.00 -2.23 0.00 0.00 60.65 58.45 3fbc s ILE 8 Cb -0.14 -4.30 0.11 0.00 -1.58 0.00 0.00 42.46 36.55 3fbc s ILE 8 CO 0.02 -0.74 1.11 -0.54 -1.23 0.00 0.00 174.94 173.57 3fbc s LYS 9 N 3.08 1.54 0.48 2.79 1.02 0.08 -2.53 119.74 126.20 3fbc s LYS 9 Ca 0.24 0.51 0.23 0.00 0.02 0.00 0.00 55.97 56.98 3fbc s LYS 9 Cb -0.14 -1.87 1.24 0.00 -0.52 0.00 0.00 37.83 36.54 3fbc s LYS 9 CO 0.19 -1.97 2.01 -1.35 -0.92 0.00 0.00 175.35 173.31 3fbc h PRO 10 N -1.34 0.00 -0.09 -1.68 0.11 -1.84 -1.99 132.00 125.17 3fbc h PRO 10 Ca -0.49 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.50 3fbc h PRO 10 Cb 1.30 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.40 3fbc h PRO 10 CO 0.60 0.17 -0.47 0.38 -0.21 0.00 0.00 178.00 178.47 3fbc h ASP 11 N 0.00 0.24 0.05 -2.05 2.03 -1.91 -0.80 116.42 113.99 3fbc h ASP 11 Ca -0.00 -0.11 0.02 0.00 -0.73 0.00 0.00 57.03 56.21 3fbc h ASP 11 Cb 0.41 -0.07 -0.04 0.00 -0.83 0.00 0.00 39.33 38.80 3fbc h ASP 11 CO 0.02 0.68 -0.22 0.00 -1.03 0.00 0.00 179.24 178.69 3fbc h ALA 12 N 1.33 -0.33 -0.78 4.15 0.00 -1.61 -0.09 119.26 121.94 3fbc h ALA 12 Ca 0.01 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 54.99 3fbc h ALA 12 Cb 0.90 0.38 -0.07 0.00 0.00 0.00 0.00 17.79 19.00 3fbc h ALA 12 CO 0.07 -0.74 0.43 0.74 0.00 0.00 0.00 179.25 179.76 3fbc h PHE 13 N -0.38 0.79 -0.57 0.00 -1.00 -1.43 -1.28 116.94 113.06 3fbc h PHE 13 Ca 0.05 0.03 -0.08 0.00 2.81 0.00 0.00 57.97 60.77 3fbc h PHE 13 Cb 0.44 -0.24 -0.02 0.00 3.61 0.00 0.00 35.95 39.74 3fbc h PHE 13 CO -0.24 0.32 0.05 1.49 -1.61 0.00 0.00 178.31 178.32 3fbc h GLU 14 N 0.74 0.98 -0.64 1.51 4.22 -0.68 -2.59 114.58 118.13 3fbc h GLU 14 Ca 0.37 -0.29 0.00 0.00 0.08 0.00 0.00 59.36 59.53 3fbc h GLU 14 Cb 0.34 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.48 3fbc h GLU 14 CO -0.24 0.96 0.00 0.54 -2.18 0.00 0.00 179.01 178.08 3fbc n ARG 15 N -4.28 2.76 -4.05 1.92 1.74 -0.09 -4.93 116.66 109.74 3fbc n ARG 15 Ca 0.02 -1.69 -0.34 0.00 -0.77 0.00 0.00 57.85 55.08 3fbc n ARG 15 Cb 0.31 -1.71 -0.02 0.00 -1.02 0.00 0.00 32.46 30.01 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 0.50 -1.77 -0.18 0.55 7.64 -0.79 -4.89 113.62 114.68 3fbc n SER 16 Ca 0.15 -1.16 0.02 0.00 1.01 0.00 0.00 58.87 58.88 3fbc n SER 16 Cb 0.63 -2.33 0.04 0.00 -1.01 0.00 0.00 64.21 61.54 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 -4.59 2.26 0.10 -3.43 4.77 -0.55 -4.78 117.00 110.78 3fbc n LEU 17 Ca -0.23 -2.02 -0.13 0.00 -0.03 0.00 0.00 56.01 53.60 3fbc n LEU 17 Cb 0.64 -0.07 -0.08 0.00 -2.33 0.00 0.00 43.42 41.58 3fbc n LEU 17 CO 0.76 0.57 0.76 0.58 -1.33 0.00 0.00 177.39 178.73 3fbc h VAL 18 N 0.55 0.92 0.00 4.08 2.07 -1.91 -1.93 116.25 120.04 3fbc h VAL 18 Ca 0.00 -0.26 -0.04 0.00 0.82 0.00 0.00 66.70 67.22 3fbc h VAL 18 Cb 0.57 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 3fbc h VAL 18 CO 0.00 0.06 -0.19 0.00 0.02 0.00 0.00 177.57 177.46 3fbc h ALA 19 N 0.53 1.39 -0.26 1.67 0.00 -1.96 -1.50 119.26 119.12 3fbc h ALA 19 Ca -0.02 -0.18 -0.19 0.00 0.00 0.00 0.00 54.91 54.52 3fbc h ALA 19 Cb 0.25 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3fbc h ALA 19 CO 0.03 0.24 -0.59 1.49 0.00 0.00 0.00 179.25 180.43 3fbc h GLU 20 N 0.00 0.86 0.02 0.00 4.57 -1.83 0.14 114.58 118.34 3fbc h GLU 20 Ca -0.00 -0.58 -0.00 0.00 -1.18 0.00 0.00 59.36 57.60 3fbc h GLU 20 Cb 0.42 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.09 3fbc h GLU 20 CO 0.03 1.21 -0.01 0.82 -1.18 0.00 0.00 179.01 179.87 3fbc h ILE 21 N 0.64 1.41 -0.96 2.32 2.04 -1.06 -2.69 117.51 119.21 3fbc h ILE 21 Ca 0.00 -1.38 0.00 0.00 1.00 0.00 0.00 64.86 64.48 3fbc h ILE 21 Cb 1.20 2.33 -0.05 0.00 -0.74 0.00 0.00 36.82 39.57 3fbc h ILE 21 CO 0.13 0.35 0.60 0.24 0.00 0.00 0.00 178.15 179.47 3fbc h MET 22 N -0.63 1.28 -0.95 2.37 2.86 -1.33 -2.34 114.93 116.19 3fbc h MET 22 Ca -0.00 -0.10 0.13 0.00 -2.06 0.00 0.00 59.70 57.66 3fbc h MET 22 Cb 0.60 -0.28 -0.09 0.00 0.06 0.00 0.00 31.60 31.89 3fbc h MET 22 CO 0.00 0.88 0.58 0.78 1.06 0.00 0.00 176.91 180.21 3fbc h GLY 23 N 1.31 1.57 1.39 8.32 0.00 -0.70 0.86 103.07 115.81 3fbc h GLY 23 Ca 0.35 -0.38 -0.08 0.00 0.00 0.00 0.00 47.33 47.22 3fbc h GLY 23 CO -0.07 0.11 -0.04 3.21 0.00 0.00 0.00 176.54 179.75 3fbc h ARG 24 N 0.89 0.74 0.01 4.80 3.08 -1.07 -1.00 114.38 121.84 3fbc h ARG 24 Ca 0.49 -0.21 -0.19 0.00 0.07 0.00 0.00 59.98 60.13 3fbc h ARG 24 Cb 0.53 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.48 3fbc h ARG 24 CO -0.29 0.78 -0.89 0.82 -1.07 0.00 0.00 179.97 179.32 3fbc h ILE 25 N 0.69 1.57 -0.47 2.04 2.04 -1.13 -2.85 117.51 119.40 3fbc h ILE 25 Ca 0.13 -2.85 -0.09 0.00 1.00 0.00 0.00 64.86 63.06 3fbc h ILE 25 Cb 0.48 2.57 -0.02 0.00 -0.74 0.00 0.00 36.82 39.11 3fbc h ILE 25 CO 0.02 0.82 -0.07 -0.08 0.00 0.00 0.00 178.15 178.84 3fbc h GLU 26 N 0.04 0.82 0.00 2.37 4.81 -0.58 -2.90 114.58 119.14 3fbc h GLU 26 Ca -0.03 -0.26 -0.04 0.00 -0.13 0.00 0.00 59.36 58.91 3fbc h GLU 26 Cb 1.55 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.85 3fbc h GLU 26 CO 0.13 0.87 -0.17 0.87 -0.73 0.00 0.00 179.01 179.98 3fbc h LYS 27 N 0.75 0.00 -0.40 1.92 1.57 -1.06 -1.17 116.57 118.17 3fbc h LYS 27 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 3fbc h LYS 27 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.87 3fbc h LYS 27 CO 0.03 0.17 0.00 1.17 -0.57 0.00 0.00 179.45 180.25 3fbc n LYS 28 N -3.21 1.70 -2.94 3.15 4.81 -1.09 -4.90 118.16 115.69 3fbc n LYS 28 Ca 0.02 -0.84 -0.11 0.00 -0.87 0.00 0.00 58.31 56.50 3fbc n LYS 28 Cb 0.50 -1.33 0.06 0.00 0.02 0.00 0.00 35.03 34.28 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 0.16 -2.19 -4.57 3.14 4.05 -0.44 -5.04 115.26 110.36 3fbc n ASN 29 Ca 0.08 -0.40 -0.32 0.00 0.45 0.00 0.00 54.58 54.39 3fbc n ASN 29 Cb 0.28 -3.49 -0.11 0.00 1.23 0.00 0.00 39.78 37.70 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 -3.23 2.84 -0.09 1.20 0.40 -1.10 -4.92 117.98 113.08 3fbc s PHE 30 Ca 0.02 -0.07 -0.02 0.00 -0.60 0.00 0.00 56.93 56.26 3fbc s PHE 30 Cb -0.01 -1.59 -0.03 0.00 0.51 0.00 0.00 43.02 41.90 3fbc s PHE 30 CO 0.47 0.35 0.01 0.15 0.70 0.00 0.00 175.22 176.90 3fbc s LYS 31 N -1.41 3.07 -0.25 0.44 -0.14 -0.80 -4.51 119.74 116.14 3fbc s LYS 31 Ca 0.17 -0.40 -0.29 0.00 -1.36 0.00 0.00 55.97 54.08 3fbc s LYS 31 Cb -0.11 -2.83 -0.01 0.00 -1.68 0.00 0.00 37.83 33.20 3fbc s LYS 31 CO 0.07 0.66 1.42 0.42 -0.76 0.00 0.00 175.35 177.16 3fbc s ILE 32 N -0.77 3.99 -0.10 2.17 1.01 -1.26 -1.54 121.20 124.69 3fbc s ILE 32 Ca 0.12 1.12 0.13 0.00 0.00 0.00 0.00 60.65 62.03 3fbc s ILE 32 Cb -0.12 -3.96 -0.19 0.00 0.01 0.00 0.00 42.46 38.20 3fbc s ILE 32 CO 0.02 -0.36 0.14 0.55 0.00 0.00 0.00 174.94 175.29 3fbc n VAL 33 N 6.16 0.63 -3.77 2.92 3.14 -0.33 -4.99 118.33 122.10 3fbc n VAL 33 Ca 0.16 -0.51 -0.13 0.00 -2.96 0.00 0.00 64.34 60.90 3fbc n VAL 33 Cb 0.46 -0.37 -0.09 0.00 -1.06 0.00 0.00 33.84 32.79 3fbc n VAL 33 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 3fbc s SER 34 N -4.38 -0.16 -0.26 6.55 0.01 -1.09 -4.97 113.70 109.39 3fbc s SER 34 Ca -0.06 0.03 -0.14 0.00 1.31 0.00 0.00 55.95 57.08 3fbc s SER 34 Cb 0.06 0.30 0.08 0.00 0.21 0.00 0.00 66.02 66.68 3fbc s SER 34 CO 0.59 -0.46 0.64 -0.32 0.41 0.00 0.00 173.24 174.10 3fbc s MET 35 N -1.46 0.64 -0.01 12.44 0.00 -1.26 -0.19 119.30 129.46 3fbc s MET 35 Ca -0.13 1.19 0.06 0.00 0.00 0.00 0.00 55.69 56.81 3fbc s MET 35 Cb -0.05 0.21 -0.02 0.00 0.00 0.00 0.00 34.83 34.97 3fbc s MET 35 CO 0.03 -0.16 -0.20 0.15 0.00 0.00 0.00 175.02 174.84 3fbc s LYS 36 N 1.78 1.61 -0.20 4.11 1.02 -0.09 -4.99 119.74 122.98 3fbc s LYS 36 Ca -0.09 -0.73 -0.05 0.00 0.02 0.00 0.00 55.97 55.12 3fbc s LYS 36 Cb -0.07 -1.56 -0.02 0.00 -0.52 0.00 0.00 37.83 35.66 3fbc s LYS 36 CO -0.19 0.43 -0.01 0.12 -0.92 0.00 0.00 175.35 174.78 3fbc s PHE 37 N -0.49 3.02 -0.17 3.18 5.36 -1.26 -1.01 117.98 126.61 3fbc s PHE 37 Ca 0.08 -0.50 -0.00 0.00 -0.96 0.00 0.00 56.93 55.54 3fbc s PHE 37 Cb -0.08 -2.07 0.00 0.00 -0.34 0.00 0.00 43.02 40.54 3fbc s PHE 37 CO -0.01 -0.25 -0.14 -1.58 -1.46 0.00 0.00 175.22 171.78 3fbc s TRP 38 N 0.97 2.82 0.19 10.12 0.52 -0.06 -5.00 118.94 128.50 3fbc s TRP 38 Ca 0.01 -1.12 -0.12 0.00 0.02 0.00 0.00 56.10 54.89 3fbc s TRP 38 Cb -0.14 -1.94 0.15 0.00 -1.15 0.00 0.00 33.47 30.38 3fbc s TRP 38 CO 0.01 -0.54 1.82 0.66 0.02 0.00 0.00 176.95 178.93 3fbc h SER 39 N 7.57 0.58 -2.99 2.95 4.64 -1.92 0.77 113.55 125.15 3fbc h SER 39 Ca -0.37 0.01 -0.45 0.00 -0.47 0.00 0.00 61.79 60.51 3fbc h SER 39 Cb 1.17 -0.12 -0.40 0.00 -0.31 0.00 0.00 62.40 62.75 3fbc h SER 39 CO 0.59 0.40 -0.74 -0.75 -0.87 0.00 0.00 176.83 175.46 3fbc s LYS 40 N -6.13 0.08 0.20 4.77 2.20 -1.26 -2.17 119.74 117.43 3fbc s LYS 40 Ca -0.13 -0.06 -0.32 0.00 -0.36 0.00 0.00 55.97 55.10 3fbc s LYS 40 Cb 0.14 -1.75 -0.12 0.00 -1.51 0.00 0.00 37.83 34.59 3fbc s LYS 40 CO 0.75 -0.68 1.72 0.00 -0.36 0.00 0.00 175.35 176.79 3fbc n ALA 41 N 5.28 2.78 -1.66 3.13 0.00 -1.26 -4.90 120.51 123.89 3fbc n ALA 41 Ca -0.07 0.40 -0.52 0.00 0.00 0.00 0.00 53.44 53.25 3fbc n ALA 41 Cb 0.49 -2.52 -0.06 0.00 0.00 0.00 0.00 19.45 17.36 3fbc n ALA 41 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3fbc n PRO 42 N 4.00 1.45 -0.24 0.00 -0.02 -1.26 -4.84 135.00 134.09 3fbc n PRO 42 Ca 0.16 0.53 0.14 0.00 -2.02 0.00 0.00 63.50 62.30 3fbc n PRO 42 Cb 0.35 -2.23 0.43 0.00 -0.02 0.00 0.00 33.50 32.03 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 6.35 0.56 -0.54 -0.52 2.43 -1.97 -1.09 114.38 119.60 3fbc h ARG 43 Ca -0.47 -0.03 0.09 0.00 -0.81 0.00 0.00 59.98 58.76 3fbc h ARG 43 Cb 1.31 -0.13 -0.10 0.00 -0.42 0.00 0.00 29.97 30.63 3fbc h ARG 43 CO 0.88 0.37 -0.38 -0.97 -1.51 0.00 0.00 179.97 178.36 3fbc h ASN 44 N 0.58 -1.31 -0.42 -3.80 -0.00 -2.00 -0.41 115.58 108.22 3fbc h ASN 44 Ca 0.43 0.23 -0.02 0.00 -0.00 0.00 0.00 56.30 56.94 3fbc h ASN 44 Cb 0.81 0.61 -0.02 0.00 -0.00 0.00 0.00 38.32 39.72 3fbc h ASN 44 CO -0.18 -0.33 0.22 -0.07 -0.00 0.00 0.00 177.43 177.07 3fbc h LEU 45 N -0.22 0.57 -0.51 0.34 4.07 -1.56 -0.86 115.31 117.13 3fbc h LEU 45 Ca 0.19 -0.05 -0.14 0.00 0.08 0.00 0.00 57.88 57.96 3fbc h LEU 45 Cb 0.56 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 42.15 3fbc h LEU 45 CO -0.65 0.49 -0.32 0.40 -1.08 0.00 0.00 178.44 177.27 3fbc h ILE 46 N 0.64 1.28 -0.54 1.22 1.08 -1.26 -1.05 117.51 118.88 3fbc h ILE 46 Ca 0.16 -1.49 -0.11 0.00 -0.39 0.00 0.00 64.86 63.03 3fbc h ILE 46 Cb 0.07 1.32 -0.02 0.00 -3.07 0.00 0.00 36.82 35.12 3fbc h ILE 46 CO -0.02 0.50 -0.10 -0.33 -0.69 0.00 0.00 178.15 177.51 3fbc h GLU 47 N 0.73 1.02 0.75 2.37 5.08 -0.29 -1.74 114.58 122.49 3fbc h GLU 47 Ca 0.07 -0.37 -0.04 0.00 -1.00 0.00 0.00 59.36 58.03 3fbc h GLU 47 Cb 0.89 -0.07 0.01 0.00 0.50 0.00 0.00 28.75 30.08 3fbc h GLU 47 CO 0.08 1.05 -0.36 1.96 -1.00 0.00 0.00 179.01 180.74 3fbc h GLN 48 N 0.91 -0.97 -0.94 2.33 4.20 -1.14 -2.33 115.11 117.16 3fbc h GLN 48 Ca 0.14 0.07 0.28 0.00 0.06 0.00 0.00 58.65 59.20 3fbc h GLN 48 Cb 0.66 0.22 -0.15 0.00 0.30 0.00 0.00 27.48 28.51 3fbc h GLN 48 CO 0.05 -0.63 0.32 1.25 -0.67 0.00 0.00 178.83 179.14 3fbc h HIS 49 N -1.12 0.48 -0.86 2.96 2.76 -1.06 0.32 115.15 118.64 3fbc h HIS 49 Ca -0.10 0.05 -0.56 0.00 -2.20 0.00 0.00 60.37 57.56 3fbc h HIS 49 Cb 0.79 -0.06 -0.30 0.00 1.55 0.00 0.00 27.41 29.40 3fbc h HIS 49 CO -0.01 -0.26 0.38 0.66 -1.30 0.00 0.00 177.93 177.40 3fbc n TYR 50 N -5.23 2.82 0.09 5.26 4.02 -0.67 -4.77 117.16 118.69 3fbc n TYR 50 Ca 0.26 -2.48 0.14 0.00 -0.01 0.00 0.00 57.90 55.81 3fbc n TYR 50 Cb 0.83 -1.02 0.63 0.00 -0.02 0.00 0.00 39.34 39.76 3fbc n TYR 50 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 176.86 177.42 3fbc h LYS 51 N 1.72 0.08 -0.87 -0.72 2.10 0.23 -2.03 116.57 117.09 3fbc h LYS 51 Ca 0.52 -0.00 0.03 0.00 -2.00 0.00 0.00 60.65 59.19 3fbc h LYS 51 Cb 1.43 -0.02 -0.05 0.00 -0.90 0.00 0.00 32.23 32.70 3fbc h LYS 51 CO 1.19 0.05 0.57 0.93 -2.00 0.00 0.00 179.45 180.19 3fbc h GLU 52 N 0.08 1.08 -0.01 0.07 3.07 -1.86 -2.61 114.58 114.41 3fbc h GLU 52 Ca 0.16 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.95 3fbc h GLU 52 Cb 0.52 -0.24 0.00 0.00 -0.84 0.00 0.00 28.75 28.18 3fbc h GLU 52 CO -0.01 0.71 -0.04 0.72 -1.40 0.00 0.00 179.01 178.99 3fbc n HIS 53 N -4.43 0.00 -0.37 4.33 8.25 -0.76 -4.06 115.22 118.18 3fbc n HIS 53 Ca 0.11 0.00 0.28 0.00 -0.26 0.00 0.00 57.72 57.85 3fbc n HIS 53 Cb 0.08 -0.05 0.55 0.00 1.12 0.00 0.00 29.99 31.69 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 1.14 0.40 0.05 0.41 4.64 -1.51 -2.42 113.55 116.27 3fbc h SER 54 Ca 0.00 0.14 -0.00 0.00 -0.47 0.00 0.00 61.79 61.46 3fbc h SER 54 Cb 0.31 0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 3fbc h SER 54 CO 0.00 -0.10 -0.03 -0.33 -0.87 0.00 0.00 176.83 175.51 3fbc h GLU 55 N 0.25 -0.07 -4.56 4.77 3.07 -1.82 -3.46 114.58 112.76 3fbc h GLU 55 Ca 0.73 0.00 -0.47 0.00 -0.50 0.00 0.00 59.36 59.13 3fbc h GLU 55 Cb 1.96 0.02 0.13 0.00 -0.84 0.00 0.00 28.75 30.01 3fbc h GLU 55 CO -0.46 -0.05 -0.78 1.04 -1.40 0.00 0.00 179.01 177.36 3fbc n GLN 56 N -4.14 0.00 -0.06 2.33 1.13 -0.91 -4.84 117.38 110.90 3fbc n GLN 56 Ca -0.01 0.00 -0.11 0.00 -1.94 0.00 0.00 57.00 54.94 3fbc n GLN 56 Cb 0.03 -0.76 -0.04 0.00 0.11 0.00 0.00 30.24 29.58 3fbc n GLN 56 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 3fbc h SER 57 N 0.15 0.27 0.20 1.08 4.64 -1.90 -3.17 113.55 114.83 3fbc h SER 57 Ca -0.29 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3fbc h SER 57 Cb 1.10 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 3fbc h SER 57 CO 0.34 0.35 0.00 0.00 -0.87 0.00 0.00 176.83 176.65 3fbc n TYR 58 N -4.84 0.22 -0.02 4.77 0.18 -1.26 -4.20 117.16 112.02 3fbc n TYR 58 Ca -0.04 0.11 0.17 0.00 1.88 0.00 0.00 57.90 60.02 3fbc n TYR 58 Cb 0.12 -0.67 0.26 0.00 -0.38 0.00 0.00 39.34 38.67 3fbc n TYR 58 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 3fbc n PHE 59 N -1.72 0.00 0.06 -3.48 -0.00 -1.20 -0.13 117.46 110.98 3fbc n PHE 59 Ca 0.01 0.00 -0.22 0.00 -0.00 0.00 0.00 57.45 57.23 3fbc n PHE 59 Cb 0.07 -0.16 -0.15 0.00 -0.00 0.00 0.00 39.48 39.25 3fbc n PHE 59 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 176.76 175.85 3fbc h ASN 60 N 0.00 0.56 -0.41 -2.13 2.35 -1.90 -2.82 115.58 111.24 3fbc h ASN 60 Ca 0.30 -0.93 -0.12 0.00 -0.55 0.00 0.00 56.30 55.00 3fbc h ASN 60 Cb 2.47 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 40.65 3fbc h ASN 60 CO -0.00 1.80 -0.19 0.44 -1.65 0.00 0.00 177.43 177.82 3fbc h ASP 61 N 0.10 0.92 0.33 5.81 3.32 -0.87 -0.28 116.42 125.74 3fbc h ASP 61 Ca -0.36 -0.33 -0.02 0.00 0.02 0.00 0.00 57.03 56.34 3fbc h ASP 61 Cb 2.08 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 41.39 3fbc h ASP 61 CO 0.16 1.08 -0.16 0.25 -1.72 0.00 0.00 179.24 178.85 3fbc h LEU 62 N 0.79 -0.38 -1.19 1.55 5.85 -1.59 0.25 115.31 120.58 3fbc h LEU 62 Ca 0.11 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 3fbc h LEU 62 Cb 0.74 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.83 3fbc h LEU 62 CO 0.06 -0.24 0.46 0.00 -0.34 0.00 0.00 178.44 178.38 3fbc h ASP 64 N 1.04 0.92 -0.34 0.00 3.32 -0.83 -2.97 116.42 117.55 3fbc h ASP 64 Ca 0.27 -0.24 -0.05 0.00 0.02 0.00 0.00 57.03 57.03 3fbc h ASP 64 Cb -0.06 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.24 3fbc h ASP 64 CO -0.05 0.92 0.02 0.15 -1.72 0.00 0.00 179.24 178.56 3fbc h PHE 65 N 0.87 0.64 0.00 4.55 3.04 -0.34 -2.23 116.94 123.47 3fbc h PHE 65 Ca 0.18 -0.10 0.00 0.00 3.98 0.00 0.00 57.97 62.03 3fbc h PHE 65 Cb 0.38 -0.17 0.00 0.00 2.56 0.00 0.00 35.95 38.72 3fbc h PHE 65 CO 0.03 0.69 0.00 -1.33 -2.02 0.00 0.00 178.31 175.68 3fbc n MET 66 N -4.54 0.06 0.00 1.11 2.81 -0.37 -1.57 117.12 114.63 3fbc n MET 66 Ca -0.02 0.48 0.00 0.00 -1.81 0.00 0.00 57.70 56.36 3fbc n MET 66 Cb 0.25 -1.68 0.00 0.00 -0.71 0.00 0.00 33.22 31.09 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 -1.81 0.61 1.15 2.03 3.14 -1.08 -4.58 118.33 117.80 3fbc n VAL 67 Ca 0.00 -0.75 0.13 0.00 -2.96 0.00 0.00 64.34 60.77 3fbc n VAL 67 Cb 0.07 0.73 0.46 0.00 -1.06 0.00 0.00 33.84 34.04 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 -0.30 0.44 -2.82 6.55 3.41 -0.61 -4.81 113.62 115.48 3fbc n SER 68 Ca 0.00 -0.26 -0.09 0.00 -0.26 0.00 0.00 58.87 58.26 3fbc n SER 68 Cb 0.20 -0.03 0.03 0.00 -0.26 0.00 0.00 64.21 64.14 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 -2.78 0.50 1.08 5.00 0.00 -1.26 -5.08 107.32 104.78 3fbc s GLY 69 Ca 0.19 -0.86 -0.12 0.00 0.00 0.00 0.00 44.72 43.93 3fbc s GLY 69 CO 0.57 -0.38 1.06 -4.14 0.00 0.00 0.00 173.10 170.21 3fbc s PRO 70 N -2.14 -0.27 -0.01 2.90 0.02 -0.92 -4.58 135.00 130.00 3fbc s PRO 70 Ca 0.17 1.03 -0.16 0.00 0.02 0.00 0.00 61.00 62.06 3fbc s PRO 70 Cb -0.05 -1.62 0.03 0.00 0.02 0.00 0.00 34.50 32.88 3fbc s PRO 70 CO 0.13 -3.34 0.33 0.42 -0.33 0.00 0.00 177.00 174.21 3fbc s ILE 71 N -2.55 0.06 -0.08 2.83 1.01 0.26 -3.51 121.20 119.22 3fbc s ILE 71 Ca 0.68 -0.48 0.02 0.00 0.00 0.00 0.00 60.65 60.87 3fbc s ILE 71 Cb -0.24 -0.70 0.01 0.00 0.01 0.00 0.00 42.46 41.55 3fbc s ILE 71 CO 0.62 -0.26 -0.12 -0.63 0.00 0.00 0.00 174.94 174.54 3fbc s ILE 72 N -1.55 1.18 -0.18 2.92 1.01 -1.05 -0.88 121.20 122.65 3fbc s ILE 72 Ca -0.12 -0.49 -0.06 0.00 0.00 0.00 0.00 60.65 59.98 3fbc s ILE 72 Cb -0.04 -1.09 -0.03 0.00 0.01 0.00 0.00 42.46 41.30 3fbc s ILE 72 CO 0.03 0.37 0.03 -0.94 0.00 0.00 0.00 174.94 174.43 3fbc s SER 73 N 0.80 5.25 -0.05 3.58 1.04 -0.18 -0.30 113.70 123.83 3fbc s SER 73 Ca -0.12 -0.04 0.03 0.00 0.48 0.00 0.00 55.95 56.31 3fbc s SER 73 Cb -0.15 -1.89 0.00 0.00 0.10 0.00 0.00 66.02 64.08 3fbc s SER 73 CO 0.02 0.14 -0.15 -0.63 0.98 0.00 0.00 173.24 173.60 3fbc s ILE 74 N 0.56 1.30 -0.34 -1.02 1.01 0.42 -0.91 121.20 122.22 3fbc s ILE 74 Ca 0.01 -0.62 -0.14 0.00 0.00 0.00 0.00 60.65 59.90 3fbc s ILE 74 Cb -0.13 -1.15 -0.01 0.00 0.01 0.00 0.00 42.46 41.18 3fbc s ILE 74 CO 0.02 0.39 0.30 -0.69 0.00 0.00 0.00 174.94 174.96 3fbc s VAL 75 N 0.29 5.22 0.13 2.92 1.01 0.74 -0.55 120.40 130.15 3fbc s VAL 75 Ca -0.08 -0.09 -0.01 0.00 0.00 0.00 0.00 61.98 61.79 3fbc s VAL 75 Cb -0.13 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 3fbc s VAL 75 CO 0.03 -0.06 0.31 -0.31 0.00 0.00 0.00 175.10 175.07 3fbc s TYR 76 N 1.87 3.49 -0.00 5.22 1.51 -0.13 -1.18 117.35 128.13 3fbc s TYR 76 Ca 0.09 0.34 0.03 0.00 -1.01 0.00 0.00 57.07 56.52 3fbc s TYR 76 Cb -0.17 -1.84 -0.01 0.00 -0.11 0.00 0.00 41.96 39.83 3fbc s TYR 76 CO 0.11 0.49 -0.09 -2.00 -1.11 0.00 0.00 175.55 172.95 3fbc s GLU 77 N -2.84 0.72 0.00 -0.62 2.12 -0.59 -1.51 118.70 115.98 3fbc s GLU 77 Ca 0.37 -0.34 0.00 0.00 0.36 0.00 0.00 54.97 55.37 3fbc s GLU 77 Cb -0.12 -0.69 0.00 0.00 0.26 0.00 0.00 34.13 33.58 3fbc s GLU 77 CO 0.27 0.19 0.00 0.41 -0.54 0.00 0.00 175.26 175.59 3fbc n GLY 78 N 2.81 2.23 3.68 -1.50 0.00 -0.71 -1.90 105.19 109.80 3fbc n GLY 78 Ca -0.14 -1.01 -0.45 0.00 0.00 0.00 0.00 46.02 44.42 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 -0.91 0.22 -2.43 2.61 -1.04 -1.26 -1.69 114.28 109.79 3fbc n THR 79 Ca 0.00 -0.04 -0.17 0.00 -2.04 0.00 0.00 64.05 61.80 3fbc n THR 79 Cb 0.00 -1.79 -0.01 0.00 -1.82 0.00 0.00 70.33 66.71 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 4.73 -4.98 -0.25 8.00 4.64 -1.26 -4.84 116.55 122.59 3fbc n ASP 80 Ca 0.18 0.08 0.15 0.00 -1.38 0.00 0.00 54.79 53.82 3fbc n ASP 80 Cb 0.31 -4.18 0.44 0.00 -1.04 0.00 0.00 41.12 36.66 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 1.00 1.99 -0.11 -1.67 0.00 -1.59 -1.19 119.26 117.69 3fbc h ALA 81 Ca -0.40 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 3fbc h ALA 81 Cb 1.30 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 3fbc h ALA 81 CO 0.47 -0.25 0.02 0.82 0.00 0.00 0.00 179.25 180.32 3fbc h ILE 82 N 0.56 1.21 0.16 0.00 2.04 -1.86 -0.48 117.51 119.13 3fbc h ILE 82 Ca 0.45 -0.66 -0.30 0.00 1.00 0.00 0.00 64.86 65.35 3fbc h ILE 82 Cb 0.89 1.43 0.03 0.00 -0.74 0.00 0.00 36.82 38.44 3fbc h ILE 82 CO -0.19 0.19 -1.27 -1.28 0.00 0.00 0.00 178.15 175.60 3fbc h SER 83 N -0.03 0.85 -0.05 1.72 0.87 -1.81 -2.37 113.55 112.73 3fbc h SER 83 Ca 0.03 -0.86 -0.00 0.00 -1.23 0.00 0.00 61.79 59.74 3fbc h SER 83 Cb 0.28 -0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 61.97 3fbc h SER 83 CO 0.00 1.62 0.03 0.11 -0.53 0.00 0.00 176.83 178.07 3fbc h LYS 84 N 0.19 0.07 -0.38 2.24 1.79 -1.24 0.35 116.57 119.59 3fbc h LYS 84 Ca -0.20 -0.01 -0.16 0.00 -2.18 0.00 0.00 60.65 58.10 3fbc h LYS 84 Cb 1.96 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 32.59 3fbc h LYS 84 CO 0.24 0.09 -0.38 0.82 -1.08 0.00 0.00 179.45 179.14 3fbc h ILE 85 N 0.03 1.27 -0.58 1.86 2.04 -1.22 -0.54 117.51 120.37 3fbc h ILE 85 Ca 0.02 -1.56 0.12 0.00 1.00 0.00 0.00 64.86 64.44 3fbc h ILE 85 Cb 0.04 1.38 -0.11 0.00 -0.74 0.00 0.00 36.82 37.38 3fbc h ILE 85 CO -0.00 0.52 -0.18 0.03 0.00 0.00 0.00 178.15 178.51 3fbc h ARG 86 N 0.75 -0.04 -0.18 2.37 2.47 -1.28 0.05 114.38 118.52 3fbc h ARG 86 Ca 0.06 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.71 3fbc h ARG 86 Cb 0.97 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 29.29 3fbc h ARG 86 CO 0.09 -0.03 -0.22 -0.09 0.56 0.00 0.00 179.97 180.29 3fbc h ARG 87 N -0.04 0.33 -0.35 0.04 9.65 0.17 -2.15 114.38 122.02 3fbc h ARG 87 Ca 0.28 -0.10 -0.08 0.00 -1.10 0.00 0.00 59.98 58.97 3fbc h ARG 87 Cb 0.46 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 29.00 3fbc h ARG 87 CO -0.62 0.54 -0.10 1.25 2.80 0.00 0.00 179.97 183.83 3fbc h LEU 88 N 0.30 0.71 -1.06 3.80 5.85 -0.42 -2.54 115.31 121.94 3fbc h LEU 88 Ca 0.05 -0.37 0.10 0.00 0.84 0.00 0.00 57.88 58.49 3fbc h LEU 88 Cb 0.56 -0.19 -0.07 0.00 0.37 0.00 0.00 40.66 41.32 3fbc h LEU 88 CO 0.04 0.92 0.62 -0.61 -0.34 0.00 0.00 178.44 179.07 3fbc h GLN 89 N 0.49 1.00 0.00 1.25 4.15 -0.52 0.12 115.11 121.59 3fbc h GLN 89 Ca 0.09 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.45 3fbc h GLN 89 Cb 0.62 -0.23 0.00 0.00 0.21 0.00 0.00 27.48 28.08 3fbc h GLN 89 CO 0.04 0.66 0.00 0.41 -1.93 0.00 0.00 178.83 178.01 3fbc n GLY 90 N -1.37 1.64 3.63 2.39 0.00 -0.85 -1.66 105.19 108.96 3fbc n GLY 90 Ca 0.17 -0.39 -0.10 0.00 0.00 0.00 0.00 46.02 45.70 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 0.19 0.61 1.61 2.20 -1.26 -4.75 114.94 109.53 3fbc s ASN 91 Ca 0.00 -1.09 0.29 0.00 -0.94 0.00 0.00 52.86 51.12 3fbc s ASN 91 Cb 0.00 0.68 1.53 0.00 -2.00 0.00 0.00 41.25 41.46 3fbc s ASN 91 CO 0.00 -1.32 1.92 0.40 -2.94 0.00 0.00 177.10 175.17 3fbc h ILE 92 N 2.14 0.28 0.00 0.54 5.03 -1.88 -0.94 117.51 122.68 3fbc h ILE 92 Ca -0.27 0.00 -0.07 0.00 -0.12 0.00 0.00 64.86 64.40 3fbc h ILE 92 Cb 1.25 0.66 -0.01 0.00 -3.03 0.00 0.00 36.82 35.68 3fbc h ILE 92 CO 0.36 0.00 -1.89 0.18 -0.68 0.00 0.00 178.15 176.12 3fbc n LEU 93 N -3.49 0.17 -4.31 1.44 4.77 -1.26 -4.66 117.00 109.66 3fbc n LEU 93 Ca 0.05 0.07 -0.46 0.00 -0.03 0.00 0.00 56.01 55.63 3fbc n LEU 93 Cb 0.55 0.08 -0.04 0.00 -2.33 0.00 0.00 43.42 41.67 3fbc n LEU 93 CO 0.24 0.07 0.22 -0.89 -1.33 0.00 0.00 177.39 175.69 3fbc s THR 94 N -3.29 5.28 0.51 -5.08 2.01 -0.62 -5.00 115.64 109.45 3fbc s THR 94 Ca -0.07 -1.80 -0.22 0.00 0.31 0.00 0.00 61.69 59.91 3fbc s THR 94 Cb 0.12 -4.35 -0.06 0.00 0.01 0.00 0.00 72.50 68.22 3fbc s THR 94 CO 0.87 -0.91 1.24 -2.84 -0.69 0.00 0.00 174.62 172.30 3fbc s PRO 95 N 1.17 3.43 0.00 4.92 0.02 -1.26 -3.10 135.00 140.18 3fbc s PRO 95 Ca 0.07 1.96 0.00 0.00 0.02 0.00 0.00 61.00 63.05 3fbc s PRO 95 Cb -0.24 -2.30 0.00 0.00 0.02 0.00 0.00 34.50 31.98 3fbc s PRO 95 CO -0.01 -0.87 0.00 0.41 -0.33 0.00 0.00 177.00 176.20 3fbc n GLY 96 N 0.56 2.14 3.97 0.52 0.00 -1.26 -4.95 105.19 106.16 3fbc n GLY 96 Ca 0.09 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.33 2.67 0.14 2.61 -4.23 -1.18 -4.90 115.64 108.42 3fbc s THR 97 Ca 0.00 -0.67 -0.15 0.00 -1.18 0.00 0.00 61.69 59.69 3fbc s THR 97 Cb 0.00 -3.00 0.02 0.00 1.34 0.00 0.00 72.50 70.86 3fbc s THR 97 CO 0.00 0.00 1.71 0.40 -0.54 0.00 0.00 174.62 176.19 3fbc h ILE 98 N 0.08 1.19 -0.04 2.99 2.04 -0.83 0.04 117.51 122.98 3fbc h ILE 98 Ca -0.42 -0.56 -0.15 0.00 1.00 0.00 0.00 64.86 64.73 3fbc h ILE 98 Cb 1.30 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 38.10 3fbc h ILE 98 CO 0.52 0.21 -0.67 0.03 0.00 0.00 0.00 178.15 178.25 3fbc h ARG 99 N 0.58 0.16 -0.15 2.37 3.08 -1.54 -1.67 114.38 117.21 3fbc h ARG 99 Ca 0.15 -0.13 -0.11 0.00 0.07 0.00 0.00 59.98 59.96 3fbc h ARG 99 Cb 0.15 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 3fbc h ARG 99 CO -0.02 0.77 -0.41 0.78 -1.07 0.00 0.00 179.97 180.03 3fbc h GLY 100 N 1.68 0.37 0.71 0.04 0.00 -0.78 -2.34 103.07 102.75 3fbc h GLY 100 Ca -0.01 -0.36 -0.16 0.00 0.00 0.00 0.00 47.33 46.80 3fbc h GLY 100 CO 0.10 0.33 -1.59 1.22 0.00 0.00 0.00 176.54 176.59 3fbc n ASP 101 N -4.03 0.62 0.00 0.19 8.00 -0.04 -4.45 116.55 116.84 3fbc n ASP 101 Ca -0.01 0.27 0.00 0.00 0.71 0.00 0.00 54.79 55.75 3fbc n ASP 101 Cb 0.49 0.57 0.00 0.00 -0.02 0.00 0.00 41.12 42.16 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 -2.76 0.00 -4.53 0.64 4.77 -0.63 -5.07 117.00 109.42 3fbc n LEU 102 Ca -0.11 -0.17 -0.29 0.00 -0.03 0.00 0.00 56.01 55.41 3fbc n LEU 102 Cb 0.82 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.80 3fbc n LEU 102 CO 0.43 0.00 -0.45 0.00 -1.33 0.00 0.00 177.39 176.04 3fbc s ALA 103 N -1.23 2.82 -0.01 -1.18 0.00 -0.88 -5.03 121.76 116.25 3fbc s ALA 103 Ca 0.00 -1.35 0.01 0.00 0.00 0.00 0.00 51.96 50.62 3fbc s ALA 103 Cb 0.00 -0.74 0.01 0.00 0.00 0.00 0.00 23.12 22.40 3fbc s ALA 103 CO 0.00 0.58 0.72 -1.71 0.00 0.00 0.00 175.76 175.35 3fbc n ASN 104 N 0.59 0.34 -3.82 0.00 5.15 -1.26 -4.76 115.26 111.49 3fbc n ASN 104 Ca -0.14 -1.48 -0.13 0.00 -0.60 0.00 0.00 54.58 52.23 3fbc n ASN 104 Cb 0.53 -0.08 -0.14 0.00 -0.53 0.00 0.00 39.78 39.57 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 -0.52 -0.06 0.36 1.20 -1.08 -1.26 -5.02 116.67 110.28 3fbc s ASP 105 Ca 0.02 0.16 0.26 0.00 -0.52 0.00 0.00 52.55 52.46 3fbc s ASP 105 Cb 0.01 0.13 1.29 0.00 -1.46 0.00 0.00 42.92 42.89 3fbc s ASP 105 CO 0.00 -0.05 1.79 0.16 0.52 0.00 0.00 175.17 177.58 3fbc h ILE 106 N 5.32 0.00 0.00 4.11 -2.65 -2.02 -3.27 117.51 119.00 3fbc h ILE 106 Ca -0.30 -0.11 -0.22 0.00 1.03 0.00 0.00 64.86 65.27 3fbc h ILE 106 Cb 1.19 0.76 -0.03 0.00 -2.05 0.00 0.00 36.82 36.68 3fbc h ILE 106 CO 0.46 0.00 -1.69 0.61 0.03 0.00 0.00 178.15 177.56 3fbc n GLY 107 N -0.79 -0.46 3.48 0.16 0.00 -1.26 -4.74 105.19 101.57 3fbc n GLY 107 Ca -0.00 -0.22 -0.44 0.00 0.00 0.00 0.00 46.02 45.36 3fbc n GLY 107 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3fbc n GLU 108 N -4.28 3.32 -0.66 1.61 1.02 -1.23 -4.79 120.64 115.62 3fbc n GLU 108 Ca -0.32 -3.67 0.05 0.00 -0.02 0.00 0.00 57.16 53.20 3fbc n GLU 108 Cb 0.67 -3.17 0.20 0.00 -0.02 0.00 0.00 31.44 29.12 3fbc n GLU 108 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 3fbc n ASN 109 N 6.39 1.84 0.00 1.62 0.23 -1.26 -4.39 115.26 119.69 3fbc n ASN 109 Ca 0.41 -3.89 0.00 0.00 -0.53 0.00 0.00 54.58 50.57 3fbc n ASN 109 Cb 0.43 -0.52 0.00 0.00 -2.08 0.00 0.00 39.78 37.61 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 -1.09 0.00 -3.79 -4.53 4.77 -1.26 -4.83 117.00 106.26 3fbc n LEU 110 Ca 0.20 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 56.05 3fbc n LEU 110 Cb 0.70 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.69 3fbc n LEU 110 CO -0.02 0.00 -0.08 -0.51 -1.33 0.00 0.00 177.39 175.45 3fbc s ILE 111 N 0.00 0.02 -0.10 -0.08 2.07 -1.26 -0.74 121.20 121.11 3fbc s ILE 111 Ca 0.00 -0.16 0.01 0.00 -1.41 0.00 0.00 60.65 59.09 3fbc s ILE 111 Cb 0.00 -0.41 -0.02 0.00 0.13 0.00 0.00 42.46 42.16 3fbc s ILE 111 CO 0.00 -0.09 -0.11 -2.28 -1.91 0.00 0.00 174.94 170.56 3fbc s HIS 112 N -0.27 2.84 -0.04 3.50 5.65 0.02 -4.94 115.29 122.04 3fbc s HIS 112 Ca -0.04 -0.30 0.03 0.00 0.25 0.00 0.00 55.06 55.00 3fbc s HIS 112 Cb -0.03 -1.77 0.00 0.00 -1.18 0.00 0.00 32.58 29.60 3fbc s HIS 112 CO 0.01 0.05 -0.13 0.00 -0.65 0.00 0.00 174.74 174.02 3fbc s ALA 113 N -0.21 1.24 0.36 1.58 0.00 -1.26 -0.27 121.76 123.20 3fbc s ALA 113 Ca 0.02 -0.49 -0.24 0.00 0.00 0.00 0.00 51.96 51.24 3fbc s ALA 113 Cb -0.13 -0.47 -0.14 0.00 0.00 0.00 0.00 23.12 22.38 3fbc s ALA 113 CO 0.03 0.18 0.49 0.43 0.00 0.00 0.00 175.76 176.90 3fbc n SER 114 N 3.40 -1.14 -0.50 0.00 7.64 -0.45 -4.90 113.62 117.67 3fbc n SER 114 Ca -0.20 0.96 0.08 0.00 1.01 0.00 0.00 58.87 60.72 3fbc n SER 114 Cb 0.53 -1.05 0.18 0.00 -1.01 0.00 0.00 64.21 62.85 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 1.63 3.06 -3.58 6.43 5.68 -1.26 -4.64 116.55 123.87 3fbc n ASP 115 Ca 0.12 -2.76 -0.05 0.00 -0.50 0.00 0.00 54.79 51.60 3fbc n ASP 115 Cb 0.36 -0.40 -0.02 0.00 -1.14 0.00 0.00 41.12 39.92 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 -1.97 -0.19 0.37 -1.12 1.04 -1.26 -4.97 113.70 105.60 3fbc s SER 116 Ca 0.31 -0.00 0.08 0.00 0.48 0.00 0.00 55.95 56.82 3fbc s SER 116 Cb 0.25 0.20 0.71 0.00 0.10 0.00 0.00 66.02 67.28 3fbc s SER 116 CO 0.07 -0.32 1.89 -0.33 0.98 0.00 0.00 173.24 175.53 3fbc h GLU 117 N 2.00 0.31 -0.11 4.02 5.08 -1.96 0.34 114.58 124.26 3fbc h GLU 117 Ca -0.12 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.13 3fbc h GLU 117 Cb 1.18 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.39 3fbc h GLU 117 CO 0.25 0.44 -0.07 -0.44 -1.00 0.00 0.00 179.01 178.18 3fbc h ASP 118 N 0.29 0.25 -0.04 1.42 3.32 -2.01 -3.08 116.42 116.57 3fbc h ASP 118 Ca 0.06 -0.44 -0.06 0.00 0.02 0.00 0.00 57.03 56.60 3fbc h ASP 118 Cb 0.40 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 3fbc h ASP 118 CO 0.02 0.64 -0.15 0.28 -1.72 0.00 0.00 179.24 178.31 3fbc h SER 119 N -0.14 0.35 0.65 6.45 0.02 -1.82 -2.56 113.55 116.50 3fbc h SER 119 Ca 0.02 -0.09 -0.03 0.00 -0.84 0.00 0.00 61.79 60.85 3fbc h SER 119 Cb 0.55 -0.09 0.01 0.00 0.14 0.00 0.00 62.40 63.01 3fbc h SER 119 CO 0.02 0.53 -0.31 0.00 -1.14 0.00 0.00 176.83 175.92 3fbc h ALA 120 N 1.51 -1.06 -0.35 3.77 0.00 -0.95 0.27 119.26 122.46 3fbc h ALA 120 Ca 0.06 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.83 3fbc h ALA 120 Cb 0.47 0.34 -0.05 0.00 0.00 0.00 0.00 17.79 18.55 3fbc h ALA 120 CO 0.03 -0.99 0.06 -0.39 0.00 0.00 0.00 179.25 177.96 3fbc h VAL 121 N -1.02 0.81 0.26 0.00 -1.51 -1.56 0.36 116.25 113.60 3fbc h VAL 121 Ca -0.09 -0.06 0.01 0.00 -1.23 0.00 0.00 66.70 65.33 3fbc h VAL 121 Cb 0.67 0.62 -0.04 0.00 -2.13 0.00 0.00 31.29 30.42 3fbc h VAL 121 CO 0.15 0.03 -0.44 -0.78 -1.23 0.00 0.00 177.57 175.30 3fbc h ASP 122 N 0.18 -1.25 0.21 4.19 3.58 -1.49 -0.68 116.42 121.17 3fbc h ASP 122 Ca 0.17 0.12 -0.05 0.00 0.42 0.00 0.00 57.03 57.69 3fbc h ASP 122 Cb 0.19 0.45 -0.01 0.00 1.72 0.00 0.00 39.33 41.68 3fbc h ASP 122 CO -0.23 -0.54 -0.23 -0.33 -2.88 0.00 0.00 179.24 175.04 3fbc h GLU 123 N -0.76 0.03 -0.25 0.28 5.08 -0.07 -1.48 114.58 117.41 3fbc h GLU 123 Ca -0.01 -0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.24 3fbc h GLU 123 Cb 0.73 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 3fbc h GLU 123 CO -0.17 0.26 -0.27 0.82 -1.00 0.00 0.00 179.01 178.65 3fbc h ILE 124 N 0.03 1.27 -0.02 3.13 2.04 0.07 -2.44 117.51 121.59 3fbc h ILE 124 Ca 0.00 -1.31 -0.20 0.00 1.00 0.00 0.00 64.86 64.35 3fbc h ILE 124 Cb 0.42 1.37 -0.00 0.00 -0.74 0.00 0.00 36.82 37.87 3fbc h ILE 124 CO 0.03 0.42 -0.86 0.77 0.00 0.00 0.00 178.15 178.51 3fbc h SER 125 N 0.44 0.43 0.05 1.72 4.64 -0.29 0.86 113.55 121.41 3fbc h SER 125 Ca 0.06 -0.33 0.01 0.00 -0.47 0.00 0.00 61.79 61.06 3fbc h SER 125 Cb 0.70 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.65 3fbc h SER 125 CO 0.05 1.11 -0.07 0.40 -0.87 0.00 0.00 176.83 177.45 3fbc h ILE 126 N 0.21 0.83 0.00 0.95 2.04 -1.22 -3.29 117.51 117.03 3fbc h ILE 126 Ca -0.05 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.78 3fbc h ILE 126 Cb 1.47 0.83 -0.00 0.00 -0.74 0.00 0.00 36.82 38.37 3fbc h ILE 126 CO 0.14 0.00 -0.98 -0.50 0.00 0.00 0.00 178.15 176.81 3fbc h TRP 127 N -0.15 0.00 -2.60 1.37 4.06 -1.34 -3.43 115.95 113.85 3fbc h TRP 127 Ca 0.01 0.00 -0.58 0.00 2.06 0.00 0.00 58.89 60.38 3fbc h TRP 127 Cb 0.16 0.00 -0.39 0.00 -1.00 0.00 0.00 29.16 27.93 3fbc h TRP 127 CO -0.11 0.08 -0.84 -0.06 -3.56 0.00 0.00 178.44 173.94 3fbc s PHE 128 N -3.29 0.72 -2.92 0.49 0.08 0.30 -5.02 117.98 108.33 3fbc s PHE 128 Ca -0.00 -1.59 0.23 0.00 0.12 0.00 0.00 56.93 55.69 3fbc s PHE 128 Cb 0.09 -0.93 0.19 0.00 -0.57 0.00 0.00 43.02 41.80 3fbc s PHE 128 CO 0.78 -0.83 1.24 -0.35 -0.10 0.00 0.00 175.22 175.97