#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 1.00 0.19 1.96 -0.21 -0.39 -4.78 119.66 117.42 3fbc s GLN 2 Ca 0.00 -1.27 0.08 0.00 0.02 0.00 0.00 55.36 54.19 3fbc s GLN 2 Cb 0.00 0.31 -0.04 0.00 1.00 0.00 0.00 33.01 34.27 3fbc s GLN 2 CO 0.00 -0.32 -0.02 1.03 -2.12 0.00 0.00 175.29 173.86 3fbc s ARG 3 N -3.99 2.33 0.07 2.91 1.81 -1.26 -1.64 118.95 119.18 3fbc s ARG 3 Ca 0.18 -1.18 -0.12 0.00 -1.72 0.00 0.00 55.73 52.89 3fbc s ARG 3 Cb 0.06 -2.30 0.01 0.00 -0.45 0.00 0.00 34.95 32.27 3fbc s ARG 3 CO -0.01 0.44 0.28 -0.08 -0.68 0.00 0.00 175.30 175.25 3fbc s THR 4 N -1.81 0.10 -0.14 0.02 -1.32 -0.37 -4.45 115.64 107.66 3fbc s THR 4 Ca 0.28 -0.84 -0.06 0.00 -1.21 0.00 0.00 61.69 59.86 3fbc s THR 4 Cb -0.09 -1.11 -0.04 0.00 -1.51 0.00 0.00 72.50 69.75 3fbc s THR 4 CO 0.18 -0.46 0.07 -0.22 -2.21 0.00 0.00 174.62 171.98 3fbc s LEU 5 N -2.48 3.94 -0.03 9.08 2.96 -1.26 -1.42 118.68 129.47 3fbc s LEU 5 Ca -0.00 0.21 0.05 0.00 -0.22 0.00 0.00 54.13 54.17 3fbc s LEU 5 Cb 0.02 -1.97 -0.01 0.00 0.50 0.00 0.00 46.19 44.73 3fbc s LEU 5 CO -0.08 0.28 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.36 3fbc s VAL 6 N -0.29 1.56 -0.06 1.68 1.01 0.48 -2.09 120.40 122.69 3fbc s VAL 6 Ca 0.09 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.28 3fbc s VAL 6 Cb -0.12 -1.32 -0.03 0.00 0.00 0.00 0.00 36.38 34.92 3fbc s VAL 6 CO 0.01 0.44 -0.10 -0.76 0.00 0.00 0.00 175.10 174.70 3fbc s LEU 7 N -0.20 2.99 -0.41 3.92 1.43 0.12 -1.20 118.68 125.34 3fbc s LEU 7 Ca 0.01 -0.10 -0.08 0.00 -1.03 0.00 0.00 54.13 52.94 3fbc s LEU 7 Cb -0.10 -1.64 0.08 0.00 0.03 0.00 0.00 46.19 44.56 3fbc s LEU 7 CO 0.01 0.35 0.23 -0.63 0.23 0.00 0.00 176.35 176.54 3fbc s ILE 8 N -0.74 4.00 0.87 -0.59 1.01 0.36 -1.32 121.20 124.79 3fbc s ILE 8 Ca 0.11 -1.48 -0.11 0.00 0.00 0.00 0.00 60.65 59.17 3fbc s ILE 8 Cb -0.11 -3.47 0.11 0.00 0.01 0.00 0.00 42.46 39.00 3fbc s ILE 8 CO 0.01 -0.50 1.09 -0.54 0.00 0.00 0.00 174.94 175.01 3fbc s LYS 9 N 1.37 1.47 0.59 2.79 1.02 -0.38 -2.09 119.74 124.50 3fbc s LYS 9 Ca 0.03 0.96 0.29 0.00 0.02 0.00 0.00 55.97 57.27 3fbc s LYS 9 Cb -0.23 -1.82 1.77 0.00 -0.52 0.00 0.00 37.83 37.03 3fbc s LYS 9 CO 0.01 -2.13 2.23 -1.35 -0.92 0.00 0.00 175.35 173.19 3fbc h PRO 10 N -1.48 0.00 0.00 -1.68 0.11 -1.79 -1.40 132.00 125.76 3fbc h PRO 10 Ca -0.48 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.60 3fbc h PRO 10 Cb 1.27 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 3fbc h PRO 10 CO 0.53 0.00 -0.18 0.38 -0.21 0.00 0.00 178.00 178.52 3fbc h ASP 11 N 0.00 0.00 -0.55 -2.05 2.03 -1.90 -1.93 116.42 112.02 3fbc h ASP 11 Ca 0.01 0.00 -0.08 0.00 -0.73 0.00 0.00 57.03 56.23 3fbc h ASP 11 Cb 0.07 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.54 3fbc h ASP 11 CO -0.00 0.18 0.03 0.00 -1.03 0.00 0.00 179.24 178.42 3fbc h ALA 12 N 1.82 0.74 -0.26 4.15 0.00 -1.52 -1.43 119.26 122.76 3fbc h ALA 12 Ca -0.00 -0.28 -0.14 0.00 0.00 0.00 0.00 54.91 54.49 3fbc h ALA 12 Cb 0.60 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3fbc h ALA 12 CO 0.02 0.54 -0.42 0.74 0.00 0.00 0.00 179.25 180.13 3fbc h PHE 13 N 0.83 0.75 -0.54 0.00 -1.00 -1.53 0.99 116.94 116.44 3fbc h PHE 13 Ca 0.16 -0.22 -0.12 0.00 2.81 0.00 0.00 57.97 60.60 3fbc h PHE 13 Cb 0.50 -0.16 -0.02 0.00 3.61 0.00 0.00 35.95 39.88 3fbc h PHE 13 CO 0.04 0.94 -0.13 1.49 -1.61 0.00 0.00 178.31 179.04 3fbc h GLU 14 N 0.51 1.03 -0.63 1.51 4.22 -1.20 -2.93 114.58 117.09 3fbc h GLU 14 Ca 0.04 -0.39 0.00 0.00 0.08 0.00 0.00 59.36 59.09 3fbc h GLU 14 Cb 0.94 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.13 3fbc h GLU 14 CO 0.08 1.08 0.00 0.54 -2.18 0.00 0.00 179.01 178.53 3fbc n ARG 15 N -4.14 2.78 -3.82 1.92 1.74 -0.55 -4.97 116.66 109.61 3fbc n ARG 15 Ca 0.01 -2.30 -0.26 0.00 -0.77 0.00 0.00 57.85 54.54 3fbc n ARG 15 Cb 0.41 -1.60 0.03 0.00 -1.02 0.00 0.00 32.46 30.27 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 1.16 -2.87 -0.10 0.55 7.64 -0.30 -4.89 113.62 114.81 3fbc n SER 16 Ca 0.21 -0.81 0.10 0.00 1.01 0.00 0.00 58.87 59.37 3fbc n SER 16 Cb 0.62 -3.90 0.14 0.00 -1.01 0.00 0.00 64.21 60.06 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 -4.48 2.36 0.29 -3.43 4.77 0.19 -4.78 117.00 111.92 3fbc n LEU 17 Ca -0.13 -3.13 -0.15 0.00 -0.03 0.00 0.00 56.01 52.57 3fbc n LEU 17 Cb 0.60 -0.43 -0.08 0.00 -2.33 0.00 0.00 43.42 41.18 3fbc n LEU 17 CO 0.72 0.75 0.50 0.58 -1.33 0.00 0.00 177.39 178.61 3fbc h VAL 18 N 0.08 0.32 -0.83 4.08 2.07 -1.91 -2.02 116.25 118.06 3fbc h VAL 18 Ca -0.00 -0.34 0.05 0.00 0.82 0.00 0.00 66.70 67.23 3fbc h VAL 18 Cb 1.00 0.43 -0.06 0.00 -1.52 0.00 0.00 31.29 31.15 3fbc h VAL 18 CO 0.00 0.04 0.51 0.00 0.02 0.00 0.00 177.57 178.14 3fbc h ALA 19 N -0.73 1.12 -0.41 1.67 0.00 -1.95 -0.75 119.26 118.22 3fbc h ALA 19 Ca -0.08 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.88 3fbc h ALA 19 Cb 0.64 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 3fbc h ALA 19 CO 0.13 0.27 0.12 1.49 0.00 0.00 0.00 179.25 181.25 3fbc h GLU 20 N 0.95 0.26 0.09 0.00 4.57 -1.87 0.65 114.58 119.23 3fbc h GLU 20 Ca 0.36 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.52 3fbc h GLU 20 Cb 0.14 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.67 3fbc h GLU 20 CO -0.16 0.17 -0.04 0.82 -1.18 0.00 0.00 179.01 178.62 3fbc h ILE 21 N 0.27 1.10 -0.67 2.32 2.04 -0.67 -2.61 117.51 119.29 3fbc h ILE 21 Ca 0.19 -0.71 -0.02 0.00 1.00 0.00 0.00 64.86 65.33 3fbc h ILE 21 Cb 0.20 1.56 -0.03 0.00 -0.74 0.00 0.00 36.82 37.81 3fbc h ILE 21 CO -0.22 0.17 0.34 0.24 0.00 0.00 0.00 178.15 178.69 3fbc h MET 22 N -0.44 0.94 -0.37 2.37 2.86 -1.02 -2.09 114.93 117.18 3fbc h MET 22 Ca -0.01 -0.11 0.06 0.00 -2.06 0.00 0.00 59.70 57.57 3fbc h MET 22 Cb 0.37 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.83 3fbc h MET 22 CO 0.02 0.71 0.25 0.78 1.06 0.00 0.00 176.91 179.73 3fbc h GLY 23 N 1.01 0.31 2.00 8.32 0.00 0.48 0.10 103.07 115.29 3fbc h GLY 23 Ca 0.24 -0.10 -0.19 0.00 0.00 0.00 0.00 47.33 47.28 3fbc h GLY 23 CO -0.03 0.08 -0.90 3.21 0.00 0.00 0.00 176.54 178.90 3fbc h ARG 24 N 0.26 0.00 0.01 4.80 3.08 -0.99 -1.92 114.38 119.62 3fbc h ARG 24 Ca 0.16 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.94 3fbc h ARG 24 Cb 0.32 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.39 3fbc h ARG 24 CO -0.03 0.90 -1.06 0.82 -1.07 0.00 0.00 179.97 179.53 3fbc h ILE 25 N 0.00 1.29 -0.16 2.04 2.04 -1.27 -3.16 117.51 118.30 3fbc h ILE 25 Ca -0.01 -2.29 -0.04 0.00 1.00 0.00 0.00 64.86 63.52 3fbc h ILE 25 Cb 1.64 2.42 -0.01 0.00 -0.74 0.00 0.00 36.82 40.13 3fbc h ILE 25 CO 0.12 0.71 -0.08 -0.08 0.00 0.00 0.00 178.15 178.81 3fbc h GLU 26 N 0.37 0.24 0.00 2.37 4.81 -0.71 -2.30 114.58 119.35 3fbc h GLU 26 Ca -0.13 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.05 3fbc h GLU 26 Cb 1.71 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 31.06 3fbc h GLU 26 CO 0.21 0.34 -0.09 1.63 -0.73 0.00 0.00 179.01 180.36 3fbc n LYS 27 N -4.32 0.28 -0.16 1.92 5.02 -0.73 -2.39 118.16 117.78 3fbc n LYS 27 Ca -0.01 0.20 0.08 0.00 -2.02 0.00 0.00 58.31 56.57 3fbc n LYS 27 Cb 0.23 -1.80 0.25 0.00 -0.02 0.00 0.00 35.03 33.69 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 -2.27 1.90 -1.75 1.97 4.81 -0.87 -4.93 118.16 117.03 3fbc n LYS 28 Ca 0.05 -1.38 -0.00 0.00 -0.87 0.00 0.00 58.31 56.11 3fbc n LYS 28 Cb 0.43 -1.35 -0.00 0.00 0.02 0.00 0.00 35.03 34.13 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 0.61 -1.49 -4.88 3.14 4.05 -1.00 -5.05 115.26 110.63 3fbc n ASN 29 Ca 0.15 0.00 -0.32 0.00 0.45 0.00 0.00 54.58 54.86 3fbc n ASN 29 Cb 0.35 -0.50 -0.05 0.00 1.23 0.00 0.00 39.78 40.81 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 -2.00 3.46 0.02 1.20 0.40 -1.21 -4.89 117.98 114.96 3fbc s PHE 30 Ca 0.00 0.75 0.06 0.00 -0.60 0.00 0.00 56.93 57.14 3fbc s PHE 30 Cb 0.00 -2.16 -0.03 0.00 0.51 0.00 0.00 43.02 41.34 3fbc s PHE 30 CO 0.00 0.35 -0.15 0.15 0.70 0.00 0.00 175.22 176.27 3fbc s LYS 31 N -2.68 2.24 -0.57 0.44 -0.14 -0.38 -4.60 119.74 114.04 3fbc s LYS 31 Ca 0.44 -0.89 -0.28 0.00 -1.36 0.00 0.00 55.97 53.88 3fbc s LYS 31 Cb -0.12 -2.29 0.03 0.00 -1.68 0.00 0.00 37.83 33.77 3fbc s LYS 31 CO 0.22 0.56 1.24 0.42 -0.76 0.00 0.00 175.35 177.04 3fbc s ILE 32 N -0.93 3.97 -0.05 2.17 1.01 -1.26 -0.44 121.20 125.66 3fbc s ILE 32 Ca 0.15 0.86 -0.16 0.00 0.00 0.00 0.00 60.65 61.50 3fbc s ILE 32 Cb -0.11 -4.66 -0.11 0.00 0.01 0.00 0.00 42.46 37.60 3fbc s ILE 32 CO 0.06 -1.29 0.66 0.58 0.00 0.00 0.00 174.94 174.94 3fbc h VAL 33 N 6.21 0.42 -4.12 2.92 2.07 -1.40 -3.49 116.25 118.85 3fbc h VAL 33 Ca -0.25 -0.93 -0.12 0.00 0.82 0.00 0.00 66.70 66.22 3fbc h VAL 33 Cb 1.06 0.71 -0.15 0.00 -1.52 0.00 0.00 31.29 31.40 3fbc h VAL 33 CO 1.18 0.11 -0.56 -0.94 0.02 0.00 0.00 177.57 177.38 3fbc s SER 34 N -5.28 0.32 -0.30 0.57 1.04 -1.22 -4.99 113.70 103.85 3fbc s SER 34 Ca -0.09 -0.93 -0.12 0.00 0.48 0.00 0.00 55.95 55.29 3fbc s SER 34 Cb 0.00 0.27 0.14 0.00 0.10 0.00 0.00 66.02 66.54 3fbc s SER 34 CO 0.32 -0.68 0.79 -0.32 0.98 0.00 0.00 173.24 174.34 3fbc s MET 35 N -3.93 0.47 -0.03 4.02 0.00 -1.26 -0.39 119.30 118.19 3fbc s MET 35 Ca 0.10 1.15 0.04 0.00 0.00 0.00 0.00 55.69 56.97 3fbc s MET 35 Cb 0.07 0.65 -0.03 0.00 0.00 0.00 0.00 34.83 35.52 3fbc s MET 35 CO -0.08 -0.16 -0.14 0.15 0.00 0.00 0.00 175.02 174.80 3fbc s LYS 36 N 2.61 2.45 -0.54 4.11 1.02 0.25 -4.99 119.74 124.65 3fbc s LYS 36 Ca -0.05 -0.73 -0.07 0.00 0.02 0.00 0.00 55.97 55.14 3fbc s LYS 36 Cb -0.09 -2.37 0.14 0.00 -0.52 0.00 0.00 37.83 34.99 3fbc s LYS 36 CO -0.18 0.61 0.40 0.12 -0.92 0.00 0.00 175.35 175.38 3fbc s PHE 37 N -0.79 3.49 -0.60 3.18 5.36 -1.26 -0.35 117.98 127.02 3fbc s PHE 37 Ca 0.12 -2.20 -0.25 0.00 -0.96 0.00 0.00 56.93 53.64 3fbc s PHE 37 Cb -0.11 -3.41 0.04 0.00 -0.34 0.00 0.00 43.02 39.20 3fbc s PHE 37 CO 0.02 -0.95 1.06 -1.58 -1.46 0.00 0.00 175.22 172.31 3fbc s TRP 38 N 0.81 2.66 0.25 10.12 0.52 -0.32 -4.88 118.94 128.09 3fbc s TRP 38 Ca 0.11 0.04 0.36 0.00 0.02 0.00 0.00 56.10 56.62 3fbc s TRP 38 Cb -0.22 -4.29 1.79 0.00 -1.15 0.00 0.00 33.47 29.59 3fbc s TRP 38 CO -0.03 -1.54 2.08 0.66 0.02 0.00 0.00 176.95 178.13 3fbc h SER 39 N 9.50 0.00 -3.09 2.95 4.64 -1.93 0.67 113.55 126.29 3fbc h SER 39 Ca -0.26 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.03 3fbc h SER 39 Cb 1.07 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 62.93 3fbc h SER 39 CO 1.15 0.00 -0.08 -0.75 -0.87 0.00 0.00 176.83 176.28 3fbc s LYS 40 N -3.83 0.61 -0.52 4.77 2.20 -1.26 -3.48 119.74 118.23 3fbc s LYS 40 Ca -0.02 1.08 -0.14 0.00 -0.36 0.00 0.00 55.97 56.53 3fbc s LYS 40 Cb 0.10 0.09 0.13 0.00 -1.51 0.00 0.00 37.83 36.64 3fbc s LYS 40 CO 0.40 -0.15 0.45 0.00 -0.36 0.00 0.00 175.35 175.69 3fbc s ALA 41 N 1.53 3.57 -0.02 3.13 0.00 -1.26 -5.00 121.76 123.71 3fbc s ALA 41 Ca -0.10 -2.55 -0.03 0.00 0.00 0.00 0.00 51.96 49.28 3fbc s ALA 41 Cb -0.06 -3.13 -0.01 0.00 0.00 0.00 0.00 23.12 19.92 3fbc s ALA 41 CO -0.17 -1.99 0.10 -2.30 0.00 0.00 0.00 175.76 171.41 3fbc n PRO 42 N 5.12 0.00 0.24 0.00 -0.02 -1.26 -4.64 135.00 134.44 3fbc n PRO 42 Ca -0.12 0.00 0.07 0.00 -2.02 0.00 0.00 63.50 61.43 3fbc n PRO 42 Cb 0.40 -0.11 0.57 0.00 -0.02 0.00 0.00 33.50 34.34 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 0.32 0.00 0.00 -0.52 2.43 -1.99 -2.16 114.38 112.45 3fbc h ARG 43 Ca -0.03 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.03 3fbc h ARG 43 Cb 0.10 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 3fbc h ARG 43 CO 0.06 0.14 -0.50 -2.95 -1.51 0.00 0.00 179.97 175.21 3fbc h ASN 44 N 0.00 0.00 0.86 -3.80 -0.00 -1.99 -1.25 115.58 109.40 3fbc h ASN 44 Ca -0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 56.30 56.26 3fbc h ASN 44 Cb 0.25 0.00 0.01 0.00 -0.00 0.00 0.00 38.32 38.58 3fbc h ASN 44 CO 0.02 0.50 -0.41 -0.07 -0.00 0.00 0.00 177.43 177.46 3fbc h LEU 45 N 0.00 -0.97 -0.54 6.14 4.07 -1.71 0.01 115.31 122.31 3fbc h LEU 45 Ca -0.00 0.03 0.10 0.00 0.08 0.00 0.00 57.88 58.08 3fbc h LEU 45 Cb 0.89 0.25 -0.08 0.00 1.08 0.00 0.00 40.66 42.80 3fbc h LEU 45 CO 0.06 -0.68 0.07 0.40 -1.08 0.00 0.00 178.44 177.22 3fbc h ILE 46 N -1.18 0.65 -0.41 1.22 1.08 -1.51 0.21 117.51 117.56 3fbc h ILE 46 Ca -0.12 -0.07 -0.01 0.00 -0.39 0.00 0.00 64.86 64.27 3fbc h ILE 46 Cb 0.88 0.43 -0.02 0.00 -3.07 0.00 0.00 36.82 35.05 3fbc h ILE 46 CO 0.19 0.04 0.20 -0.08 -0.69 0.00 0.00 178.15 177.81 3fbc h GLU 47 N 0.20 0.59 -0.19 2.37 4.81 -1.21 -1.71 114.58 119.44 3fbc h GLU 47 Ca 0.28 -0.09 0.02 0.00 -0.13 0.00 0.00 59.36 59.43 3fbc h GLU 47 Cb 0.40 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 3fbc h GLU 47 CO -0.39 0.52 0.07 1.96 -0.73 0.00 0.00 179.01 180.44 3fbc h GLN 48 N 0.53 0.17 -0.58 1.92 4.20 -0.19 -1.90 115.11 119.25 3fbc h GLN 48 Ca 0.14 -0.01 0.11 0.00 0.06 0.00 0.00 58.65 58.95 3fbc h GLN 48 Cb 0.12 -0.04 -0.09 0.00 0.30 0.00 0.00 27.48 27.77 3fbc h GLN 48 CO -0.02 0.11 0.10 1.25 -0.67 0.00 0.00 178.83 179.60 3fbc h HIS 49 N 0.17 0.15 -0.53 2.96 2.76 0.08 -0.76 115.15 119.98 3fbc h HIS 49 Ca 0.08 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.29 3fbc h HIS 49 Cb 0.04 0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.02 3fbc h HIS 49 CO -0.11 -0.05 0.00 0.66 -1.30 0.00 0.00 177.93 177.13 3fbc n TYR 50 N -5.15 0.86 -0.04 5.26 4.02 -0.71 -4.62 117.16 116.77 3fbc n TYR 50 Ca 0.08 -0.39 0.02 0.00 -0.01 0.00 0.00 57.90 57.60 3fbc n TYR 50 Cb 0.31 -0.06 0.05 0.00 -0.02 0.00 0.00 39.34 39.62 3fbc n TYR 50 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 3fbc n LYS 51 N 1.01 -0.01 0.00 -0.72 4.81 -0.29 0.22 118.16 123.18 3fbc n LYS 51 Ca 0.19 0.18 0.10 0.00 -0.87 0.00 0.00 58.31 57.90 3fbc n LYS 51 Cb 0.54 -0.29 0.54 0.00 0.02 0.00 0.00 35.03 35.84 3fbc n LYS 51 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 3fbc n GLU 52 N -3.69 0.45 -0.00 1.64 4.07 -1.26 -2.40 120.64 119.45 3fbc n GLU 52 Ca 0.03 0.05 0.04 0.00 -0.06 0.00 0.00 57.16 57.23 3fbc n GLU 52 Cb 0.11 -1.50 -0.05 0.00 -0.06 0.00 0.00 31.44 29.94 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 -1.15 0.00 0.00 4.31 8.25 0.60 -4.75 115.22 122.48 3fbc n HIS 53 Ca 0.12 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.58 3fbc n HIS 53 Cb 0.11 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.17 3fbc n HIS 53 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3fbc n SER 54 N -1.35 0.00 0.00 0.41 3.41 -1.01 -0.38 113.62 114.70 3fbc n SER 54 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 3fbc n SER 54 Cb 0.15 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 3fbc n SER 54 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 3fbc n GLU 55 N -0.52 -0.23 -2.81 4.33 4.07 -1.26 -5.00 120.64 119.22 3fbc n GLU 55 Ca 0.00 -0.40 -0.28 0.00 -0.06 0.00 0.00 57.16 56.42 3fbc n GLU 55 Cb 0.00 -0.90 -0.01 0.00 -0.06 0.00 0.00 31.44 30.47 3fbc n GLU 55 CO 0.00 0.00 0.00 -0.65 -0.06 0.00 0.00 177.13 176.42 3fbc s GLN 56 N -0.08 3.61 0.26 5.31 -1.52 0.49 -4.99 119.66 122.72 3fbc s GLN 56 Ca 0.00 0.21 -0.03 0.00 -1.95 0.00 0.00 55.36 53.59 3fbc s GLN 56 Cb 0.00 -2.43 0.39 0.00 -0.22 0.00 0.00 33.01 30.76 3fbc s GLN 56 CO 0.00 -0.10 1.86 0.66 -0.25 0.00 0.00 175.29 177.46 3fbc h SER 57 N 0.66 0.94 0.44 5.90 4.64 -1.97 -2.60 113.55 121.56 3fbc h SER 57 Ca -0.47 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3fbc h SER 57 Cb 1.20 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 3fbc h SER 57 CO 0.63 0.59 -0.10 0.00 -0.87 0.00 0.00 176.83 177.08 3fbc n TYR 58 N -4.57 0.00 -0.24 4.77 0.18 -1.26 -4.37 117.16 111.67 3fbc n TYR 58 Ca 0.15 0.00 -0.02 0.00 1.88 0.00 0.00 57.90 59.91 3fbc n TYR 58 Cb 0.20 -0.22 0.05 0.00 -0.38 0.00 0.00 39.34 38.99 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 0.40 -0.68 -0.46 -3.48 3.04 -1.71 0.09 116.94 114.13 3fbc h PHE 59 Ca 0.00 0.07 -0.02 0.00 3.98 0.00 0.00 57.97 62.01 3fbc h PHE 59 Cb 0.35 0.41 -0.02 0.00 2.56 0.00 0.00 35.95 39.24 3fbc h PHE 59 CO 0.00 -0.35 0.22 -0.91 -2.02 0.00 0.00 178.31 175.25 3fbc h ASN 60 N -0.07 0.58 -0.30 0.41 2.35 -1.83 -2.24 115.58 114.47 3fbc h ASN 60 Ca 0.30 -0.05 -0.09 0.00 -0.55 0.00 0.00 56.30 55.91 3fbc h ASN 60 Cb 0.55 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.77 3fbc h ASN 60 CO -0.74 0.50 -0.16 0.44 -1.65 0.00 0.00 177.43 175.81 3fbc h ASP 61 N 0.65 0.67 -0.09 5.81 3.32 -1.33 -1.64 116.42 123.80 3fbc h ASP 61 Ca 0.16 -0.42 0.04 0.00 0.02 0.00 0.00 57.03 56.84 3fbc h ASP 61 Cb 0.07 -0.18 -0.06 0.00 0.22 0.00 0.00 39.33 39.38 3fbc h ASP 61 CO -0.02 0.94 -0.29 0.25 -1.72 0.00 0.00 179.24 178.39 3fbc h LEU 62 N 0.40 -0.89 -0.49 1.55 5.85 -0.82 0.20 115.31 121.10 3fbc h LEU 62 Ca 0.07 0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.89 3fbc h LEU 62 Cb 0.69 0.38 -0.02 0.00 0.37 0.00 0.00 40.66 42.08 3fbc h LEU 62 CO 0.05 -0.34 0.20 0.00 -0.34 0.00 0.00 178.44 178.00 3fbc h ASP 64 N 0.65 0.65 0.05 0.00 3.32 -0.89 -1.63 116.42 118.56 3fbc h ASP 64 Ca 0.16 0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.27 3fbc h ASP 64 Cb 0.19 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.67 3fbc h ASP 64 CO -0.01 0.36 -0.02 0.15 -1.72 0.00 0.00 179.24 177.99 3fbc h PHE 65 N 0.76 -0.06 0.00 4.55 3.04 0.08 -2.50 116.94 122.82 3fbc h PHE 65 Ca 0.41 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.36 3fbc h PHE 65 Cb 0.41 0.02 0.00 0.00 2.56 0.00 0.00 35.95 38.94 3fbc h PHE 65 CO -0.07 0.20 0.00 -1.33 -2.02 0.00 0.00 178.31 175.09 3fbc n MET 66 N -5.00 0.05 -0.01 1.11 2.81 0.32 -0.59 117.12 115.81 3fbc n MET 66 Ca -0.08 0.25 0.02 0.00 -1.81 0.00 0.00 57.70 56.09 3fbc n MET 66 Cb 0.16 -1.50 0.03 0.00 -0.71 0.00 0.00 33.22 31.20 3fbc n MET 66 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 3fbc n VAL 67 N -1.29 0.15 1.22 2.03 0.31 -0.68 -4.64 118.33 115.43 3fbc n VAL 67 Ca 0.02 -0.58 0.14 0.00 -0.01 0.00 0.00 64.34 63.91 3fbc n VAL 67 Cb 0.03 1.01 0.69 0.00 -0.91 0.00 0.00 33.84 34.65 3fbc n VAL 67 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3fbc n SER 68 N 0.22 0.01 -2.73 4.52 3.41 0.24 -4.78 113.62 114.52 3fbc n SER 68 Ca 0.03 0.17 -0.04 0.00 -0.26 0.00 0.00 58.87 58.77 3fbc n SER 68 Cb 0.15 -0.38 0.02 0.00 -0.26 0.00 0.00 64.21 63.74 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 1.39 0.87 3.64 5.00 0.00 -1.26 -5.08 105.19 109.76 3fbc n GLY 69 Ca 0.11 -1.14 -0.32 0.00 0.00 0.00 0.00 46.02 44.66 3fbc n GLY 69 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3fbc n PRO 70 N -0.54 -0.15 -4.14 1.61 -0.02 -1.23 -4.63 135.00 125.90 3fbc n PRO 70 Ca -0.03 0.03 -0.09 0.00 -2.02 0.00 0.00 63.50 61.38 3fbc n PRO 70 Cb 0.47 -2.32 -0.10 0.00 -0.02 0.00 0.00 33.50 31.53 3fbc n PRO 70 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 3fbc s ILE 71 N -2.37 0.19 -0.07 4.25 -4.36 0.23 -2.88 121.20 116.18 3fbc s ILE 71 Ca 0.68 -1.89 0.04 0.00 -0.26 0.00 0.00 60.65 59.21 3fbc s ILE 71 Cb -0.26 -1.92 0.00 0.00 1.25 0.00 0.00 42.46 41.53 3fbc s ILE 71 CO 0.56 -0.60 -0.19 -0.63 0.24 0.00 0.00 174.94 174.33 3fbc s ILE 72 N -3.98 1.61 -0.17 8.37 1.01 -0.89 -1.18 121.20 125.98 3fbc s ILE 72 Ca 0.20 -0.77 -0.08 0.00 0.00 0.00 0.00 60.65 60.00 3fbc s ILE 72 Cb 0.07 -1.41 -0.04 0.00 0.01 0.00 0.00 42.46 41.09 3fbc s ILE 72 CO -0.01 0.46 0.09 -0.94 0.00 0.00 0.00 174.94 174.54 3fbc s SER 73 N 0.37 5.86 -0.02 3.58 1.04 0.52 -0.49 113.70 124.56 3fbc s SER 73 Ca -0.14 0.18 0.01 0.00 0.48 0.00 0.00 55.95 56.48 3fbc s SER 73 Cb -0.16 -1.98 0.01 0.00 0.10 0.00 0.00 66.02 64.00 3fbc s SER 73 CO 0.06 0.22 -0.03 -0.63 0.98 0.00 0.00 173.24 173.84 3fbc s ILE 74 N 0.09 0.35 -0.23 -1.02 1.01 -0.34 -0.58 121.20 120.49 3fbc s ILE 74 Ca 0.07 -0.09 -0.10 0.00 0.00 0.00 0.00 60.65 60.53 3fbc s ILE 74 Cb -0.12 -0.37 -0.05 0.00 0.01 0.00 0.00 42.46 41.94 3fbc s ILE 74 CO 0.00 0.15 0.14 -0.69 0.00 0.00 0.00 174.94 174.54 3fbc s VAL 75 N 0.52 5.25 -0.10 2.92 1.01 0.48 -0.39 120.40 130.10 3fbc s VAL 75 Ca -0.06 0.14 -0.01 0.00 0.00 0.00 0.00 61.98 62.06 3fbc s VAL 75 Cb -0.09 -3.44 -0.03 0.00 0.00 0.00 0.00 36.38 32.83 3fbc s VAL 75 CO -0.01 0.37 -0.06 -0.31 0.00 0.00 0.00 175.10 175.09 3fbc s TYR 76 N 0.92 2.96 -0.09 5.22 1.51 -0.51 -0.96 117.35 126.41 3fbc s TYR 76 Ca 0.07 -0.12 0.02 0.00 -1.01 0.00 0.00 57.07 56.04 3fbc s TYR 76 Cb -0.13 -1.79 -0.02 0.00 -0.11 0.00 0.00 41.96 39.91 3fbc s TYR 76 CO 0.03 0.19 -0.16 -2.00 -1.11 0.00 0.00 175.55 172.50 3fbc s GLU 77 N -0.40 2.91 0.00 -0.62 2.12 0.41 -1.24 118.70 121.88 3fbc s GLU 77 Ca 0.06 -0.73 0.00 0.00 0.36 0.00 0.00 54.97 54.66 3fbc s GLU 77 Cb -0.12 -2.45 0.00 0.00 0.26 0.00 0.00 34.13 31.82 3fbc s GLU 77 CO 0.02 0.39 0.00 0.41 -0.54 0.00 0.00 175.26 175.55 3fbc n GLY 78 N 2.97 -0.29 3.64 -1.50 0.00 -0.65 -1.25 105.19 108.11 3fbc n GLY 78 Ca -0.18 -0.94 -0.42 0.00 0.00 0.00 0.00 46.02 44.48 3fbc n GLY 78 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fbc s THR 79 N -2.00 3.24 -1.36 2.61 2.01 -1.26 -1.26 115.64 117.62 3fbc s THR 79 Ca 0.00 0.27 -0.03 0.00 0.31 0.00 0.00 61.69 62.24 3fbc s THR 79 Cb 0.00 -3.22 0.00 0.00 0.01 0.00 0.00 72.50 69.29 3fbc s THR 79 CO 0.00 -0.08 0.43 -0.67 -0.69 0.00 0.00 174.62 173.61 3fbc n ASP 80 N 8.77 -5.41 0.00 3.53 4.64 -1.26 -4.85 116.55 121.97 3fbc n ASP 80 Ca 0.22 -0.21 0.00 0.00 -1.38 0.00 0.00 54.79 53.42 3fbc n ASP 80 Cb 0.43 -4.29 0.00 0.00 -1.04 0.00 0.00 41.12 36.23 3fbc n ASP 80 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3fbc n ALA 81 N -3.05 -0.00 0.00 -1.67 0.00 -0.99 -0.30 120.51 114.50 3fbc n ALA 81 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 3fbc n ALA 81 Cb 0.61 0.19 0.00 0.00 0.00 0.00 0.00 19.45 20.26 3fbc n ALA 81 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3fbc n ILE 82 N -0.90 0.00 0.07 0.00 5.41 -1.26 0.85 119.36 123.53 3fbc n ILE 82 Ca 0.00 0.00 -0.15 0.00 1.00 0.00 0.00 62.75 63.60 3fbc n ILE 82 Cb 0.00 0.00 -0.09 0.00 -0.71 0.00 0.00 39.64 38.84 3fbc n ILE 82 CO 0.00 0.00 0.00 -1.28 0.00 0.00 0.00 176.55 175.27 3fbc h SER 83 N 0.00 -1.48 -0.80 4.38 0.87 -1.86 0.84 113.55 115.49 3fbc h SER 83 Ca 0.00 0.16 0.07 0.00 -1.23 0.00 0.00 61.79 60.80 3fbc h SER 83 Cb 0.00 0.56 -0.10 0.00 -0.44 0.00 0.00 62.40 62.41 3fbc h SER 83 CO 0.00 -0.49 -0.52 0.11 -0.53 0.00 0.00 176.83 175.41 3fbc h LYS 84 N -0.64 -0.05 -0.26 2.24 1.79 0.28 0.12 116.57 120.06 3fbc h LYS 84 Ca 0.00 0.00 0.05 0.00 -2.18 0.00 0.00 60.65 58.53 3fbc h LYS 84 Cb 0.67 0.01 -0.05 0.00 -1.58 0.00 0.00 32.23 31.28 3fbc h LYS 84 CO -0.30 -0.04 -0.06 0.82 -1.08 0.00 0.00 179.45 178.79 3fbc h ILE 85 N -0.06 0.75 -0.85 1.86 2.04 0.73 -2.08 117.51 119.90 3fbc h ILE 85 Ca 0.13 -0.00 0.22 0.00 1.00 0.00 0.00 64.86 66.20 3fbc h ILE 85 Cb 0.39 0.74 -0.14 0.00 -0.74 0.00 0.00 36.82 37.07 3fbc h ILE 85 CO -0.78 0.00 0.14 -0.09 0.00 0.00 0.00 178.15 177.41 3fbc h ARG 86 N 0.01 0.15 -0.49 2.37 9.65 0.11 0.20 114.38 126.37 3fbc h ARG 86 Ca 0.12 -0.01 -0.04 0.00 -1.10 0.00 0.00 59.98 58.95 3fbc h ARG 86 Cb 0.19 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 28.71 3fbc h ARG 86 CO -0.26 0.10 0.13 0.00 2.80 0.00 0.00 179.97 182.74 3fbc h ARG 87 N 0.15 0.77 -0.54 0.20 3.08 -0.58 -2.72 114.38 114.75 3fbc h ARG 87 Ca 0.51 -0.18 0.11 0.00 0.07 0.00 0.00 59.98 60.49 3fbc h ARG 87 Cb 1.00 -0.11 -0.10 0.00 0.08 0.00 0.00 29.97 30.84 3fbc h ARG 87 CO -0.69 0.74 -0.15 1.25 -1.07 0.00 0.00 179.97 180.05 3fbc h LEU 88 N 0.66 -0.54 -0.80 3.04 5.85 -0.18 -0.48 115.31 122.88 3fbc h LEU 88 Ca 0.15 0.16 -0.04 0.00 0.84 0.00 0.00 57.88 59.00 3fbc h LEU 88 Cb 0.30 0.35 -0.04 0.00 0.37 0.00 0.00 40.66 41.64 3fbc h LEU 88 CO -0.00 -0.19 0.34 -0.61 -0.34 0.00 0.00 178.44 177.64 3fbc h GLN 89 N -0.01 1.18 0.00 1.25 4.15 -1.35 -0.62 115.11 119.70 3fbc h GLN 89 Ca 0.26 -0.20 0.00 0.00 0.77 0.00 0.00 58.65 59.48 3fbc h GLN 89 Cb 0.41 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 27.90 3fbc h GLN 89 CO -0.56 0.94 0.00 0.41 -1.93 0.00 0.00 178.83 177.69 3fbc n GLY 90 N -0.92 1.82 3.25 2.39 0.00 -0.19 -0.89 105.19 110.66 3fbc n GLY 90 Ca 0.07 -0.41 -0.12 0.00 0.00 0.00 0.00 46.02 45.57 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 0.20 0.00 1.61 2.20 -1.26 -4.72 114.94 108.97 3fbc s ASN 91 Ca 0.00 -1.35 0.05 0.00 -0.94 0.00 0.00 52.86 50.61 3fbc s ASN 91 Cb 0.00 0.42 0.27 0.00 -2.00 0.00 0.00 41.25 39.94 3fbc s ASN 91 CO 0.00 -0.89 0.85 -0.38 -2.94 0.00 0.00 177.10 173.74 3fbc n ILE 92 N -0.30 0.39 0.77 0.54 2.08 -1.26 -0.99 119.36 120.57 3fbc n ILE 92 Ca 0.02 0.10 0.08 0.00 0.56 0.00 0.00 62.75 63.50 3fbc n ILE 92 Cb 0.65 -1.02 -0.10 0.00 -0.75 0.00 0.00 39.64 38.43 3fbc n ILE 92 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 3fbc n LEU 93 N -1.11 0.77 -4.07 1.39 4.77 -1.26 -4.65 117.00 112.83 3fbc n LEU 93 Ca 0.03 -0.49 -0.32 0.00 -0.03 0.00 0.00 56.01 55.20 3fbc n LEU 93 Cb 0.03 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 40.97 3fbc n LEU 93 CO 0.03 0.19 -0.46 -0.89 -1.33 0.00 0.00 177.39 174.93 3fbc s THR 94 N -2.58 2.19 0.86 -5.08 2.01 -0.83 -5.04 115.64 107.16 3fbc s THR 94 Ca 0.06 -1.63 -0.12 0.00 0.31 0.00 0.00 61.69 60.31 3fbc s THR 94 Cb 0.13 -2.29 0.10 0.00 0.01 0.00 0.00 72.50 70.45 3fbc s THR 94 CO 0.68 -0.03 1.09 -2.65 -0.69 0.00 0.00 174.62 173.03 3fbc n PRO 95 N 4.43 -0.09 0.00 4.92 -0.02 -1.26 -2.97 135.00 140.01 3fbc n PRO 95 Ca -0.14 0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.39 3fbc n PRO 95 Cb 0.42 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 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 0.56 2.98 4.02 -1.23 0.00 -1.26 -4.92 105.19 105.34 3fbc n GLY 96 Ca 0.12 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.84 2.60 0.01 2.61 -4.23 -1.16 -4.92 115.64 107.71 3fbc s THR 97 Ca 0.00 -0.96 -0.24 0.00 -1.18 0.00 0.00 61.69 59.32 3fbc s THR 97 Cb 0.00 -2.64 -0.18 0.00 1.34 0.00 0.00 72.50 71.02 3fbc s THR 97 CO 0.00 0.00 1.33 0.40 -0.54 0.00 0.00 174.62 175.81 3fbc h ILE 98 N 0.36 1.35 -0.30 2.99 2.04 -1.00 0.13 117.51 123.09 3fbc h ILE 98 Ca -0.36 -1.13 -0.18 0.00 1.00 0.00 0.00 64.86 64.19 3fbc h ILE 98 Cb 1.28 1.98 -0.00 0.00 -0.74 0.00 0.00 36.82 39.34 3fbc h ILE 98 CO 0.44 0.31 -0.52 0.03 0.00 0.00 0.00 178.15 178.40 3fbc h ARG 99 N -0.28 0.87 -0.44 2.37 3.08 -1.25 -0.97 114.38 117.76 3fbc h ARG 99 Ca 0.01 -0.54 -0.00 0.00 0.07 0.00 0.00 59.98 59.52 3fbc h ARG 99 Cb 0.52 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.60 3fbc h ARG 99 CO 0.01 1.17 0.26 0.78 -1.07 0.00 0.00 179.97 181.12 3fbc h GLY 100 N 0.73 0.62 0.72 0.04 0.00 -1.02 0.33 103.07 104.49 3fbc h GLY 100 Ca 0.02 -0.25 -0.22 0.00 0.00 0.00 0.00 47.33 46.88 3fbc h GLY 100 CO 0.12 0.24 -1.70 1.22 0.00 0.00 0.00 176.54 176.42 3fbc n ASP 101 N -4.44 0.64 0.00 0.19 8.00 0.46 -4.31 116.55 117.09 3fbc n ASP 101 Ca 0.03 0.29 0.00 0.00 0.71 0.00 0.00 54.79 55.82 3fbc n ASP 101 Cb 0.08 0.41 0.00 0.00 -0.02 0.00 0.00 41.12 41.59 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 -2.85 0.00 -4.34 0.64 4.77 -0.37 -5.07 117.00 109.78 3fbc n LEU 102 Ca -0.15 -0.30 -0.23 0.00 -0.03 0.00 0.00 56.01 55.30 3fbc n LEU 102 Cb 0.92 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.90 3fbc n LEU 102 CO 0.44 0.00 -0.50 0.00 -1.33 0.00 0.00 177.39 176.00 3fbc s ALA 103 N -1.26 2.08 -0.24 -1.18 0.00 0.09 -5.01 121.76 116.25 3fbc s ALA 103 Ca 0.00 -1.47 0.23 0.00 0.00 0.00 0.00 51.96 50.72 3fbc s ALA 103 Cb 0.00 -0.23 0.50 0.00 0.00 0.00 0.00 23.12 23.39 3fbc s ALA 103 CO 0.00 0.31 1.12 -1.71 0.00 0.00 0.00 175.76 175.47 3fbc n ASN 104 N 0.46 1.52 -3.62 0.00 5.15 -1.26 -4.70 115.26 112.81 3fbc n ASN 104 Ca -0.14 -2.02 -0.13 0.00 -0.60 0.00 0.00 54.58 51.69 3fbc n ASN 104 Cb 0.56 -0.46 -0.07 0.00 -0.53 0.00 0.00 39.78 39.28 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 -3.64 -0.62 0.44 1.20 -1.08 -1.26 -5.03 116.67 106.68 3fbc s ASP 105 Ca 0.28 1.11 0.24 0.00 -0.52 0.00 0.00 52.55 53.66 3fbc s ASP 105 Cb 0.33 1.10 0.65 0.00 -1.46 0.00 0.00 42.92 43.53 3fbc s ASP 105 CO -0.05 -0.26 1.71 0.16 0.52 0.00 0.00 175.17 177.25 3fbc h ILE 106 N 3.66 0.28 0.01 4.11 -0.00 -2.02 -3.34 117.51 120.22 3fbc h ILE 106 Ca -0.28 -1.14 -0.29 0.00 -0.00 0.00 0.00 64.86 63.15 3fbc h ILE 106 Cb 1.16 1.92 -0.04 0.00 -0.00 0.00 0.00 36.82 39.86 3fbc h ILE 106 CO 0.12 0.14 -1.59 0.61 -0.00 0.00 0.00 178.15 177.43 3fbc n GLY 107 N 0.67 -0.74 3.37 0.16 0.00 -1.26 -4.68 105.19 102.71 3fbc n GLY 107 Ca 0.02 0.04 -0.46 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.41 3.57 -0.12 1.61 2.02 -1.25 -4.83 118.70 117.29 3fbc s GLU 108 Ca -0.31 -2.17 0.15 0.00 0.02 0.00 0.00 54.97 52.67 3fbc s GLU 108 Cb 0.08 -4.58 0.27 0.00 0.10 0.00 0.00 34.13 29.99 3fbc s GLU 108 CO 0.58 -1.46 1.14 0.27 0.02 0.00 0.00 175.26 175.81 3fbc n ASN 109 N 4.96 1.85 0.00 -0.19 0.23 -1.26 -4.17 115.26 116.67 3fbc n ASN 109 Ca 0.16 -3.00 0.00 0.00 -0.53 0.00 0.00 54.58 51.21 3fbc n ASN 109 Cb 0.47 -0.40 0.00 0.00 -2.08 0.00 0.00 39.78 37.77 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 -1.10 0.00 -3.80 -4.53 4.77 -1.26 -4.77 117.00 106.31 3fbc n LEU 110 Ca 0.14 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.99 3fbc n LEU 110 Cb 0.67 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.64 3fbc n LEU 110 CO -0.00 0.00 -0.17 -0.51 -1.33 0.00 0.00 177.39 175.38 3fbc s ILE 111 N 0.00 -0.01 -0.07 -0.08 2.07 -1.26 -1.25 121.20 120.59 3fbc s ILE 111 Ca 0.00 0.03 0.02 0.00 -1.41 0.00 0.00 60.65 59.29 3fbc s ILE 111 Cb 0.00 -0.26 -0.03 0.00 0.13 0.00 0.00 42.46 42.30 3fbc s ILE 111 CO 0.00 0.01 -0.11 -2.28 -1.91 0.00 0.00 174.94 170.65 3fbc s HIS 112 N 0.31 2.81 -0.07 3.50 5.65 -0.44 -4.95 115.29 122.10 3fbc s HIS 112 Ca -0.02 -0.19 0.03 0.00 0.25 0.00 0.00 55.06 55.13 3fbc s HIS 112 Cb -0.03 -1.71 0.01 0.00 -1.18 0.00 0.00 32.58 29.67 3fbc s HIS 112 CO -0.01 0.15 -0.15 0.00 -0.65 0.00 0.00 174.74 174.08 3fbc s ALA 113 N -0.52 1.47 0.15 1.58 0.00 -1.26 -0.71 121.76 122.48 3fbc s ALA 113 Ca 0.07 -0.57 -0.33 0.00 0.00 0.00 0.00 51.96 51.13 3fbc s ALA 113 Cb -0.12 -0.60 -0.17 0.00 0.00 0.00 0.00 23.12 22.24 3fbc s ALA 113 CO 0.02 0.18 1.06 0.43 0.00 0.00 0.00 175.76 177.44 3fbc n SER 114 N 3.62 0.76 0.00 0.00 7.64 -0.89 -4.88 113.62 119.87 3fbc n SER 114 Ca -0.21 1.14 0.11 0.00 1.01 0.00 0.00 58.87 60.92 3fbc n SER 114 Cb 0.52 -1.13 0.06 0.00 -1.01 0.00 0.00 64.21 62.65 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 1.92 0.73 -3.75 6.43 5.75 -1.26 -4.68 116.55 121.68 3fbc n ASP 115 Ca 0.16 -0.58 -0.10 0.00 -0.01 0.00 0.00 54.79 54.27 3fbc n ASP 115 Cb 0.22 0.65 -0.05 0.00 -1.03 0.00 0.00 41.12 40.91 3fbc n ASP 115 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 3fbc s SER 116 N -3.11 -0.12 0.15 -1.12 1.04 -1.26 -4.95 113.70 104.33 3fbc s SER 116 Ca 0.09 -0.50 -0.16 0.00 0.48 0.00 0.00 55.95 55.85 3fbc s SER 116 Cb 0.16 0.46 0.06 0.00 0.10 0.00 0.00 66.02 66.81 3fbc s SER 116 CO 0.79 -0.87 1.74 -0.33 0.98 0.00 0.00 173.24 175.54 3fbc h GLU 117 N 2.44 0.21 0.26 4.02 5.08 -1.98 0.56 114.58 125.18 3fbc h GLU 117 Ca -0.33 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.01 3fbc h GLU 117 Cb 1.24 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 3fbc h GLU 117 CO 0.47 0.14 -0.29 -0.44 -1.00 0.00 0.00 179.01 177.90 3fbc h ASP 118 N 0.22 -0.80 -0.90 1.42 3.32 -1.99 -1.54 116.42 116.15 3fbc h ASP 118 Ca 0.16 0.07 0.12 0.00 0.02 0.00 0.00 57.03 57.40 3fbc h ASP 118 Cb 0.17 0.27 -0.13 0.00 0.22 0.00 0.00 39.33 39.85 3fbc h ASP 118 CO -0.20 -0.37 -0.41 -1.20 -1.72 0.00 0.00 179.24 175.34 3fbc n SER 119 N -4.10 -0.70 0.17 6.45 7.64 -1.02 0.32 113.62 122.38 3fbc n SER 119 Ca -0.07 1.58 -0.16 0.00 1.01 0.00 0.00 58.87 61.24 3fbc n SER 119 Cb 0.26 -0.31 -0.09 0.00 -1.01 0.00 0.00 64.21 63.06 3fbc n SER 119 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3fbc h ALA 120 N 0.99 -0.91 -0.44 -0.43 0.00 0.23 0.66 119.26 119.37 3fbc h ALA 120 Ca 0.26 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 55.14 3fbc h ALA 120 Cb 0.48 0.74 -0.08 0.00 0.00 0.00 0.00 17.79 18.94 3fbc h ALA 120 CO -0.88 -1.07 -0.03 0.28 0.00 0.00 0.00 179.25 177.55 3fbc h VAL 121 N -0.78 0.63 0.11 0.00 2.07 0.09 0.27 116.25 118.64 3fbc h VAL 121 Ca -0.01 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.49 3fbc h VAL 121 Cb 0.75 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 3fbc h VAL 121 CO -0.19 0.01 -0.30 -0.78 0.02 0.00 0.00 177.57 176.33 3fbc h ASP 122 N 0.07 -0.89 0.19 0.57 1.82 0.50 -0.81 116.42 117.86 3fbc h ASP 122 Ca 0.22 0.09 -0.07 0.00 -0.39 0.00 0.00 57.03 56.88 3fbc h ASP 122 Cb 0.32 0.32 -0.01 0.00 0.68 0.00 0.00 39.33 40.64 3fbc h ASP 122 CO -0.39 -0.33 -0.27 -0.33 -1.61 0.00 0.00 179.24 176.31 3fbc h GLU 123 N -0.46 0.15 -0.34 0.28 5.08 0.68 -0.91 114.58 119.06 3fbc h GLU 123 Ca -0.01 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 3fbc h GLU 123 Cb 0.45 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 3fbc h GLU 123 CO -0.14 0.41 0.14 0.82 -1.00 0.00 0.00 179.01 179.25 3fbc h ILE 124 N 0.13 1.18 -0.51 3.13 2.04 -0.38 -1.25 117.51 121.86 3fbc h ILE 124 Ca 0.02 -0.56 0.00 0.00 1.00 0.00 0.00 64.86 65.33 3fbc h ILE 124 Cb 0.56 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 37.52 3fbc h ILE 124 CO 0.04 0.20 0.33 0.77 0.00 0.00 0.00 178.15 179.48 3fbc h SER 125 N 0.41 0.59 -0.11 1.72 4.64 -0.68 0.51 113.55 120.64 3fbc h SER 125 Ca 0.11 -0.03 0.04 0.00 -0.47 0.00 0.00 61.79 61.45 3fbc h SER 125 Cb 0.18 -0.15 -0.06 0.00 -0.31 0.00 0.00 62.40 62.06 3fbc h SER 125 CO -0.01 0.45 -0.31 0.40 -0.87 0.00 0.00 176.83 176.48 3fbc h ILE 126 N 0.69 0.30 0.00 0.95 2.04 -1.02 -2.81 117.51 117.66 3fbc h ILE 126 Ca 0.19 0.00 -0.19 0.00 1.00 0.00 0.00 64.86 65.86 3fbc h ILE 126 Cb -0.06 0.30 -0.03 0.00 -0.74 0.00 0.00 36.82 36.29 3fbc h ILE 126 CO -0.04 0.00 -1.11 -0.50 0.00 0.00 0.00 178.15 176.50 3fbc h TRP 127 N -0.40 0.00 -1.93 1.37 4.06 -1.05 -3.40 115.95 114.60 3fbc h TRP 127 Ca 0.09 0.00 -0.49 0.00 2.06 0.00 0.00 58.89 60.55 3fbc h TRP 127 Cb 0.54 0.00 -0.40 0.00 -1.00 0.00 0.00 29.16 28.29 3fbc h TRP 127 CO -0.39 0.77 -1.07 1.19 -3.56 0.00 0.00 178.44 175.38 3fbc n PHE 128 N -3.14 1.22 0.00 0.49 3.72 0.18 -5.00 117.46 114.92 3fbc n PHE 128 Ca -0.05 -3.72 0.00 0.00 -0.05 0.00 0.00 57.45 53.63 3fbc n PHE 128 Cb 0.88 -0.42 0.00 0.00 -0.94 0.00 0.00 39.48 39.01 3fbc n PHE 128 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 3fbc n PRO 129 N 0.10 0.00 0.00 -1.08 -0.02 -1.06 -4.64 135.00 128.30 3fbc n PRO 129 Ca 0.25 0.05 0.09 0.00 -2.02 0.00 0.00 63.50 61.87 3fbc n PRO 129 Cb 0.62 -1.51 0.07 0.00 -0.02 0.00 0.00 33.50 32.66 3fbc n PRO 129 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87