#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f3r n MET 1 N 0.00 3.60 -4.35 -1.40 0.00 -1.26 -4.94 117.12 108.78 3f3r n MET 1 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 57.70 57.38 3f3r n MET 1 Cb 0.00 -0.71 -0.16 0.00 0.00 0.00 0.00 33.22 32.35 3f3r n MET 1 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 3f3r s VAL 2 N -1.39 1.94 0.03 2.03 1.01 -1.26 -4.31 120.40 118.46 3f3r s VAL 2 Ca 0.00 -0.88 -0.02 0.00 0.00 0.00 0.00 61.98 61.08 3f3r s VAL 2 Cb 0.00 -1.75 -0.04 0.00 0.00 0.00 0.00 36.38 34.59 3f3r s VAL 2 CO 0.00 0.52 0.21 0.42 0.00 0.00 0.00 175.10 176.25 3f3r s THR 3 N 1.11 5.39 -0.23 3.92 -4.23 -0.76 -4.86 115.64 115.98 3f3r s THR 3 Ca -0.01 -0.23 -0.19 0.00 -1.18 0.00 0.00 61.69 60.08 3f3r s THR 3 Cb -0.14 -3.59 -0.03 0.00 1.34 0.00 0.00 72.50 70.09 3f3r s THR 3 CO -0.07 0.23 0.56 -1.58 -0.54 0.00 0.00 174.62 173.22 3f3r s GLN 4 N -2.22 4.15 0.31 3.99 0.74 -1.26 -1.15 119.66 124.21 3f3r s GLN 4 Ca 0.31 0.46 -0.29 0.00 0.05 0.00 0.00 55.36 55.89 3f3r s GLN 4 Cb -0.13 -3.61 -0.12 0.00 1.10 0.00 0.00 33.01 30.25 3f3r s GLN 4 CO 0.23 -0.27 1.40 1.19 -0.55 0.00 0.00 175.29 177.29 3f3r n PHE 5 N 5.23 2.45 -0.04 1.67 3.72 -0.28 -4.94 117.46 125.26 3f3r n PHE 5 Ca -0.03 0.45 -0.05 0.00 -0.05 0.00 0.00 57.45 57.78 3f3r n PHE 5 Cb 0.50 -2.48 -0.06 0.00 -0.94 0.00 0.00 39.48 36.50 3f3r n PHE 5 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3f3r n LYS 6 N 1.22 2.26 -4.11 -1.08 4.01 -1.26 -4.79 118.16 114.41 3f3r n LYS 6 Ca 0.07 0.01 -0.12 0.00 -0.51 0.00 0.00 58.31 57.75 3f3r n LYS 6 Cb 0.35 -1.21 -0.11 0.00 -0.51 0.00 0.00 35.03 33.55 3f3r n LYS 6 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 3f3r s THR 7 N -2.20 0.62 0.22 -0.18 -4.23 -1.26 -4.99 115.64 103.62 3f3r s THR 7 Ca -0.06 -1.48 -0.08 0.00 -1.18 0.00 0.00 61.69 58.89 3f3r s THR 7 Cb 0.03 -1.12 0.19 0.00 1.34 0.00 0.00 72.50 72.94 3f3r s THR 7 CO 0.32 -0.61 1.85 0.00 -0.54 0.00 0.00 174.62 175.65 3f3r h ALA 8 N 3.78 1.09 -0.97 3.99 0.00 -1.97 -2.54 119.26 122.64 3f3r h ALA 8 Ca -0.36 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.45 3f3r h ALA 8 Cb 1.18 -0.34 -0.05 0.00 0.00 0.00 0.00 17.79 18.58 3f3r h ALA 8 CO 0.52 0.58 0.64 0.66 0.00 0.00 0.00 179.25 181.65 3f3r h SER 9 N 1.18 1.11 -0.16 0.00 4.64 -1.99 0.99 113.55 119.33 3f3r h SER 9 Ca 0.30 -0.03 0.01 0.00 -0.47 0.00 0.00 61.79 61.60 3f3r h SER 9 Cb -0.00 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 61.80 3f3r h SER 9 CO -0.05 0.81 0.08 -0.08 -0.87 0.00 0.00 176.83 176.71 3f3r h GLU 10 N 1.31 0.17 0.13 4.77 4.81 -1.92 -2.42 114.58 121.43 3f3r h GLU 10 Ca 0.35 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.58 3f3r h GLU 10 Cb -0.15 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.18 3f3r h GLU 10 CO -0.08 0.11 -0.12 0.35 -0.73 0.00 0.00 179.01 178.54 3f3r h PHE 11 N 0.17 -0.31 -0.80 0.92 3.57 -1.10 -1.21 116.94 118.19 3f3r h PHE 11 Ca 0.06 0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.71 3f3r h PHE 11 Cb 0.01 0.12 -0.10 0.00 2.79 0.00 0.00 35.95 38.77 3f3r h PHE 11 CO -0.09 -0.18 0.36 -0.44 -2.23 0.00 0.00 178.31 175.73 3f3r h ASP 12 N -0.27 0.38 0.74 0.41 3.32 -0.64 -1.90 116.42 118.46 3f3r h ASP 12 Ca 0.00 0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.16 3f3r h ASP 12 Cb 0.25 0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.86 3f3r h ASP 12 CO -0.03 0.14 -1.23 -1.20 -1.72 0.00 0.00 179.24 175.20 3f3r n SER 13 N -4.95 0.64 -0.18 6.45 7.64 -0.93 -3.73 113.62 118.56 3f3r n SER 13 Ca 0.16 0.23 -0.09 0.00 1.01 0.00 0.00 58.87 60.17 3f3r n SER 13 Cb 0.44 0.82 0.01 0.00 -1.01 0.00 0.00 64.21 64.47 3f3r n SER 13 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3f3r h ALA 14 N 2.03 0.69 0.00 -0.43 0.00 -0.51 -3.09 119.26 117.95 3f3r h ALA 14 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3f3r h ALA 14 Cb 0.99 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3f3r h ALA 14 CO 0.00 0.47 0.00 0.44 0.00 0.00 0.00 179.25 180.16 3f3r n ILE 15 N -4.34 0.68 0.23 0.00 -5.35 -0.78 -2.45 119.36 107.34 3f3r n ILE 15 Ca 0.01 -0.00 0.12 0.00 -0.27 0.00 0.00 62.75 62.61 3f3r n ILE 15 Cb 0.29 -0.86 0.40 0.00 -1.74 0.00 0.00 39.64 37.74 3f3r n ILE 15 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3f3r h ALA 16 N 2.45 0.97 -2.90 -1.28 0.00 -1.62 0.39 119.26 117.26 3f3r h ALA 16 Ca 0.00 -0.12 -0.55 0.00 0.00 0.00 0.00 54.91 54.24 3f3r h ALA 16 Cb 0.52 -0.02 0.17 0.00 0.00 0.00 0.00 17.79 18.46 3f3r h ALA 16 CO 0.00 0.17 0.42 1.04 0.00 0.00 0.00 179.25 180.87 3f3r n GLN 17 N -3.21 0.74 -1.26 0.00 6.02 -1.02 -3.68 117.38 114.97 3f3r n GLN 17 Ca 0.01 0.32 -0.28 0.00 -0.01 0.00 0.00 57.00 57.04 3f3r n GLN 17 Cb 0.45 -2.47 -0.08 0.00 1.02 0.00 0.00 30.24 29.16 3f3r n GLN 17 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 3f3r n ASP 18 N -2.35 7.30 -3.82 1.08 2.03 -1.26 -0.82 116.55 118.71 3f3r n ASP 18 Ca 0.15 -2.61 -0.09 0.00 0.52 0.00 0.00 54.79 52.75 3f3r n ASP 18 Cb 0.49 -1.48 -0.04 0.00 -0.72 0.00 0.00 41.12 39.37 3f3r n ASP 18 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 3f3r s LYS 19 N 1.28 1.48 0.03 -0.67 -2.85 -1.26 -4.94 119.74 112.80 3f3r s LYS 19 Ca 0.67 -0.98 -0.30 0.00 -1.00 0.00 0.00 55.97 54.36 3f3r s LYS 19 Cb 0.24 0.52 -0.05 0.00 -2.06 0.00 0.00 37.83 36.49 3f3r s LYS 19 CO -0.05 -0.63 1.17 -1.17 0.10 0.00 0.00 175.35 174.77 3f3r s LEU 20 N -2.92 4.35 -0.17 2.77 2.96 -1.26 -4.32 118.68 120.09 3f3r s LEU 20 Ca 0.13 1.93 0.01 0.00 -0.22 0.00 0.00 54.13 55.97 3f3r s LEU 20 Cb -0.02 -3.57 0.02 0.00 0.50 0.00 0.00 46.19 43.12 3f3r s LEU 20 CO 0.02 -0.47 -0.20 -0.69 -1.32 0.00 0.00 176.35 173.69 3f3r s VAL 21 N 1.33 1.99 -0.18 1.68 1.01 0.20 -0.97 120.40 125.47 3f3r s VAL 21 Ca 0.57 -0.91 -0.04 0.00 0.00 0.00 0.00 61.98 61.60 3f3r s VAL 21 Cb -0.27 -1.80 -0.02 0.00 0.00 0.00 0.00 36.38 34.28 3f3r s VAL 21 CO 0.27 0.53 -0.02 -0.69 0.00 0.00 0.00 175.10 175.19 3f3r s VAL 22 N 1.22 3.86 -0.15 2.92 1.01 0.31 -0.61 120.40 128.97 3f3r s VAL 22 Ca 0.03 -0.36 -0.00 0.00 0.00 0.00 0.00 61.98 61.65 3f3r s VAL 22 Cb -0.13 -2.72 0.03 0.00 0.00 0.00 0.00 36.38 33.56 3f3r s VAL 22 CO -0.11 0.46 -0.08 -0.69 0.00 0.00 0.00 175.10 174.68 3f3r s VAL 23 N 0.74 1.23 -0.53 2.92 1.01 0.30 -0.46 120.40 125.62 3f3r s VAL 23 Ca -0.01 -0.55 -0.21 0.00 0.00 0.00 0.00 61.98 61.21 3f3r s VAL 23 Cb -0.14 -1.29 0.05 0.00 0.00 0.00 0.00 36.38 35.00 3f3r s VAL 23 CO 0.02 0.29 0.77 -0.62 0.00 0.00 0.00 175.10 175.55 3f3r s ASP 24 N 1.60 6.27 -0.27 3.32 2.15 -0.31 -1.17 116.67 128.27 3f3r s ASP 24 Ca 0.03 -0.69 -0.21 0.00 0.43 0.00 0.00 52.55 52.11 3f3r s ASP 24 Cb -0.14 -2.35 -0.01 0.00 -0.30 0.00 0.00 42.92 40.11 3f3r s ASP 24 CO -0.09 -1.05 0.66 -0.36 -0.17 0.00 0.00 175.17 174.17 3f3r s PHE 25 N 3.21 3.26 0.23 -5.34 0.40 0.13 -0.29 117.98 119.59 3f3r s PHE 25 Ca 0.21 0.80 0.01 0.00 -0.60 0.00 0.00 56.93 57.35 3f3r s PHE 25 Cb -0.16 -2.93 -0.04 0.00 0.51 0.00 0.00 43.02 40.40 3f3r s PHE 25 CO 0.15 -0.39 0.14 1.52 0.70 0.00 0.00 175.22 177.34 3f3r s TYR 26 N 2.60 1.33 0.01 0.36 -0.85 -0.65 -2.01 117.35 118.14 3f3r s TYR 26 Ca 0.27 -1.38 0.01 0.00 -0.52 0.00 0.00 57.07 55.46 3f3r s TYR 26 Cb -0.15 -0.66 -0.01 0.00 0.38 0.00 0.00 41.96 41.52 3f3r s TYR 26 CO 0.09 -0.61 -0.05 0.00 -1.52 0.00 0.00 175.55 173.47 3f3r s ALA 27 N -3.97 0.36 0.24 9.51 0.00 -1.26 -1.10 121.76 125.55 3f3r s ALA 27 Ca 0.39 -0.33 0.32 0.00 0.00 0.00 0.00 51.96 52.34 3f3r s ALA 27 Cb 0.06 -0.03 1.46 0.00 0.00 0.00 0.00 23.12 24.61 3f3r s ALA 27 CO 0.15 0.04 2.03 1.79 0.00 0.00 0.00 175.76 179.76 3f3r h THR 28 N 4.90 0.20 -0.00 0.00 1.35 -1.99 -1.64 112.91 115.72 3f3r h THR 28 Ca -0.29 -0.55 0.00 0.00 -0.55 0.00 0.00 66.41 65.01 3f3r h THR 28 Cb 1.20 1.46 0.00 0.00 -1.73 0.00 0.00 68.15 69.07 3f3r h THR 28 CO 0.47 0.06 -0.21 -2.67 -0.25 0.00 0.00 175.52 172.92 3f3r n TRP 29 N -3.24 0.00 -3.57 4.73 4.27 -1.26 -4.64 117.44 113.73 3f3r n TRP 29 Ca -0.00 0.00 -0.41 0.00 -3.89 0.00 0.00 57.50 53.20 3f3r n TRP 29 Cb 0.28 -0.39 -0.08 0.00 -1.36 0.00 0.00 31.31 29.76 3f3r n TRP 29 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3f3r h GLY 31 N 8.29 0.08 0.15 0.00 0.00 -1.82 -0.99 103.07 108.78 3f3r h GLY 31 Ca -0.18 0.15 0.21 0.00 0.00 0.00 0.00 47.33 47.51 3f3r h GLY 31 CO 0.83 -0.14 0.62 -2.55 0.00 0.00 0.00 176.54 175.30 3f3r h PRO 32 N -0.09 0.55 0.00 4.80 0.11 -1.94 -0.92 132.00 134.51 3f3r h PRO 32 Ca 0.13 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 66.14 3f3r h PRO 32 Cb 0.29 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.26 3f3r h PRO 32 CO -0.30 0.36 -0.34 0.66 -0.21 0.00 0.00 178.00 178.17 3f3r h SER 33 N 0.56 0.00 1.04 -2.05 4.64 -1.43 -2.64 113.55 113.67 3f3r h SER 33 Ca 0.54 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.86 3f3r h SER 33 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 3f3r h SER 33 CO -0.28 0.34 0.00 0.11 -0.87 0.00 0.00 176.83 176.13 3f3r h LYS 34 N 0.00 0.00 0.00 4.77 1.79 -0.81 -3.03 116.57 119.29 3f3r h LYS 34 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3f3r h LYS 34 Cb 0.87 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.52 3f3r h LYS 34 CO 0.04 0.00 0.00 0.52 -1.08 0.00 0.00 179.45 178.93 3f3r h MET 35 N 0.00 0.00 -0.21 3.15 2.86 -1.26 -3.29 114.93 116.18 3f3r h MET 35 Ca 0.00 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.48 3f3r h MET 35 Cb 0.52 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.18 3f3r h MET 35 CO 0.00 0.00 -0.50 0.82 1.06 0.00 0.00 176.91 178.29 3f3r h ILE 36 N 0.00 1.31 -0.37 -1.22 1.08 -1.68 -3.33 117.51 113.29 3f3r h ILE 36 Ca 0.00 -1.72 0.05 0.00 -0.39 0.00 0.00 64.86 62.80 3f3r h ILE 36 Cb 0.53 1.84 -0.08 0.00 -3.07 0.00 0.00 36.82 36.04 3f3r h ILE 36 CO 0.00 0.54 -0.54 0.00 -0.69 0.00 0.00 178.15 177.46 3f3r h ALA 37 N 0.60 -0.76 -0.01 1.87 0.00 -1.78 0.63 119.26 119.82 3f3r h ALA 37 Ca -0.00 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3f3r h ALA 37 Cb 1.11 1.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.98 3f3r h ALA 37 CO 0.11 -1.04 -0.23 -1.00 0.00 0.00 0.00 179.25 177.09 3f3r h PRO 38 N -0.42 0.02 0.03 0.00 0.13 -1.80 0.11 132.00 130.07 3f3r h PRO 38 Ca 0.08 -0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.20 3f3r h PRO 38 Cb 0.61 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.74 3f3r h PRO 38 CO -0.57 0.25 -0.02 1.98 -0.23 0.00 0.00 178.00 179.41 3f3r h MET 39 N 0.01 -0.04 0.00 0.86 -1.53 -1.53 -2.30 114.93 110.40 3f3r h MET 39 Ca 0.00 0.00 -0.04 0.00 -3.44 0.00 0.00 59.70 56.22 3f3r h MET 39 Cb 0.42 0.01 -0.01 0.00 -0.55 0.00 0.00 31.60 31.48 3f3r h MET 39 CO 0.03 0.21 -0.20 -0.84 0.14 0.00 0.00 176.91 176.25 3f3r h ILE 40 N -0.30 0.40 -0.29 1.77 3.07 -0.51 -1.34 117.51 120.32 3f3r h ILE 40 Ca -0.00 -1.21 0.03 0.00 1.55 0.00 0.00 64.86 65.22 3f3r h ILE 40 Cb 0.27 1.90 -0.03 0.00 -0.27 0.00 0.00 36.82 38.70 3f3r h ILE 40 CO 0.01 0.19 0.12 -0.33 -1.05 0.00 0.00 178.15 177.09 3f3r h GLU 41 N 0.00 0.26 -0.19 0.16 5.08 -0.72 0.20 114.58 119.37 3f3r h GLU 41 Ca -0.00 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 3f3r h GLU 41 Cb 0.89 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 3f3r h GLU 41 CO 0.03 0.17 0.08 -0.22 -1.00 0.00 0.00 179.01 178.07 3f3r h LYS 42 N 0.27 0.28 -0.39 2.33 3.64 -0.92 -3.09 116.57 118.69 3f3r h LYS 42 Ca 0.13 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.42 3f3r h LYS 42 Cb 0.07 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 3f3r h LYS 42 CO -0.11 0.32 0.08 0.74 -2.27 0.00 0.00 179.45 178.22 3f3r h PHE 43 N 0.17 0.58 -0.43 1.91 0.04 -1.04 -2.34 116.94 115.83 3f3r h PHE 43 Ca 0.06 -0.04 0.12 0.00 2.80 0.00 0.00 57.97 60.92 3f3r h PHE 43 Cb 0.14 -0.18 -0.02 0.00 2.20 0.00 0.00 35.95 38.10 3f3r h PHE 43 CO -0.02 0.52 0.31 0.66 -0.60 0.00 0.00 178.31 179.18 3f3r h SER 44 N 0.56 0.01 1.03 2.17 4.64 -0.52 0.29 113.55 121.74 3f3r h SER 44 Ca 0.13 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.29 3f3r h SER 44 Cb 0.24 -0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.30 3f3r h SER 44 CO -0.00 0.01 -0.74 -0.33 -0.87 0.00 0.00 176.83 174.89 3f3r h GLU 45 N 0.01 0.00 0.00 4.77 5.08 -1.44 -3.16 114.58 119.84 3f3r h GLU 45 Ca 0.21 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.38 3f3r h GLU 45 Cb 0.81 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.03 3f3r h GLU 45 CO -0.01 0.74 -0.96 1.96 -1.00 0.00 0.00 179.01 179.75 3f3r h GLN 46 N 0.00 0.00 -2.16 2.33 4.20 -0.99 -3.38 115.11 115.12 3f3r h GLN 46 Ca -0.01 0.00 -0.57 0.00 0.06 0.00 0.00 58.65 58.13 3f3r h GLN 46 Cb 1.46 0.00 -0.41 0.00 0.30 0.00 0.00 27.48 28.83 3f3r h GLN 46 CO 0.10 0.74 -0.79 0.66 -0.67 0.00 0.00 178.83 178.87 3f3r n TYR 47 N -3.24 2.55 0.28 2.96 4.01 -0.32 -4.93 117.16 118.47 3f3r n TYR 47 Ca -0.02 -3.95 0.15 0.00 -0.16 0.00 0.00 57.90 53.92 3f3r n TYR 47 Cb 0.88 -0.48 0.74 0.00 -0.31 0.00 0.00 39.34 40.17 3f3r n TYR 47 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3f3r h PRO 48 N 3.61 0.00 0.00 -0.72 0.13 -1.73 -1.99 132.00 131.30 3f3r h PRO 48 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3f3r h PRO 48 Cb 0.70 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.83 3f3r h PRO 48 CO 0.72 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.49 3f3r n GLN 49 N -2.59 0.02 -4.05 0.86 0.00 -1.26 -4.73 117.38 105.62 3f3r n GLN 49 Ca -0.01 0.15 -0.29 0.00 0.00 0.00 0.00 57.00 56.85 3f3r n GLN 49 Cb 0.13 -1.53 -0.06 0.00 0.00 0.00 0.00 30.24 28.78 3f3r n GLN 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3f3r s ALA 50 N -3.02 3.59 -0.17 2.61 0.00 -0.75 -4.51 121.76 119.51 3f3r s ALA 50 Ca 0.10 -1.05 -0.10 0.00 0.00 0.00 0.00 51.96 50.91 3f3r s ALA 50 Cb 0.14 -1.44 -0.05 0.00 0.00 0.00 0.00 23.12 21.77 3f3r s ALA 50 CO 0.40 0.69 0.16 -0.51 0.00 0.00 0.00 175.76 176.50 3f3r s ASP 51 N -2.58 6.30 -0.09 0.00 1.01 -0.14 -5.01 116.67 116.16 3f3r s ASP 51 Ca 0.30 0.35 -0.00 0.00 0.71 0.00 0.00 52.55 53.91 3f3r s ASP 51 Cb -0.12 -2.10 -0.03 0.00 1.01 0.00 0.00 42.92 41.68 3f3r s ASP 51 CO 0.23 0.22 -0.07 -0.36 0.21 0.00 0.00 175.17 175.40 3f3r s PHE 52 N 0.02 2.93 0.08 4.23 0.40 -1.26 -0.53 117.98 123.85 3f3r s PHE 52 Ca 0.11 -0.14 0.01 0.00 -0.60 0.00 0.00 56.93 56.31 3f3r s PHE 52 Cb -0.12 -1.78 -0.04 0.00 0.51 0.00 0.00 43.02 41.60 3f3r s PHE 52 CO 0.01 0.17 -0.06 0.71 0.70 0.00 0.00 175.22 176.76 3f3r s TYR 53 N -0.40 0.76 0.18 0.36 1.51 0.39 -1.84 117.35 118.32 3f3r s TYR 53 Ca 0.06 -0.93 0.09 0.00 -1.01 0.00 0.00 57.07 55.28 3f3r s TYR 53 Cb -0.12 -0.47 -0.04 0.00 -0.11 0.00 0.00 41.96 41.22 3f3r s TYR 53 CO 0.02 -0.21 -0.19 -1.59 -1.11 0.00 0.00 175.55 172.47 3f3r s LYS 54 N -3.67 1.34 -0.10 -0.62 -2.85 -0.30 -1.16 119.74 112.38 3f3r s LYS 54 Ca 0.09 -1.47 -0.03 0.00 -1.00 0.00 0.00 55.97 53.55 3f3r s LYS 54 Cb 0.05 -1.40 0.05 0.00 -2.06 0.00 0.00 37.83 34.47 3f3r s LYS 54 CO -0.06 0.28 0.14 -1.17 0.10 0.00 0.00 175.35 174.64 3f3r s LEU 55 N -2.80 -0.01 -0.44 2.77 0.20 0.60 -1.12 118.68 117.88 3f3r s LEU 55 Ca 0.18 0.16 -0.28 0.00 0.69 0.00 0.00 54.13 54.88 3f3r s LEU 55 Cb -0.05 0.17 0.03 0.00 -0.43 0.00 0.00 46.19 45.90 3f3r s LEU 55 CO 0.08 -0.26 1.07 -0.62 -0.29 0.00 0.00 176.35 176.32 3f3r s ASP 56 N 2.26 6.66 0.61 3.68 -1.08 -1.26 -1.64 116.67 125.90 3f3r s ASP 56 Ca 0.04 0.52 0.37 0.00 -0.52 0.00 0.00 52.55 52.95 3f3r s ASP 56 Cb -0.13 -2.52 1.95 0.00 -1.46 0.00 0.00 42.92 40.77 3f3r s ASP 56 CO -0.06 -1.11 2.23 -0.37 0.52 0.00 0.00 175.17 176.38 3f3r h VAL 57 N 6.08 0.22 0.00 1.11 -1.51 -1.42 0.11 116.25 120.84 3f3r h VAL 57 Ca -0.23 -0.19 0.00 0.00 -1.23 0.00 0.00 66.70 65.05 3f3r h VAL 57 Cb 1.06 1.15 0.00 0.00 -2.13 0.00 0.00 31.29 31.38 3f3r h VAL 57 CO 1.08 0.03 -0.01 0.44 -1.23 0.00 0.00 177.57 177.87 3f3r h ASP 58 N 0.00 0.00 0.13 4.19 3.32 -1.91 -1.69 116.42 120.46 3f3r h ASP 58 Ca -0.00 -0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.68 3f3r h ASP 58 Cb 0.15 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.67 3f3r h ASP 58 CO 0.00 0.00 -2.06 -0.62 -1.72 0.00 0.00 179.24 174.85 3f3r n GLU 59 N -2.30 0.73 -2.80 3.56 1.02 0.30 -4.66 120.64 116.49 3f3r n GLU 59 Ca 0.05 0.24 -0.21 0.00 -0.02 0.00 0.00 57.16 57.23 3f3r n GLU 59 Cb 0.44 -1.68 -0.01 0.00 -0.02 0.00 0.00 31.44 30.16 3f3r n GLU 59 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3f3r n LEU 60 N -3.40 3.07 0.26 -4.62 4.77 -0.59 -4.91 117.00 111.58 3f3r n LEU 60 Ca -0.33 -4.97 0.09 0.00 -0.03 0.00 0.00 56.01 50.77 3f3r n LEU 60 Cb 1.04 -0.03 0.65 0.00 -2.33 0.00 0.00 43.42 42.75 3f3r n LEU 60 CO 0.40 2.13 1.03 1.23 -1.33 0.00 0.00 177.39 180.86 3f3r h GLY 61 N 2.88 0.00 0.89 -0.72 0.00 -1.55 -1.79 103.07 102.77 3f3r h GLY 61 Ca 0.12 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.47 3f3r h GLY 61 CO 0.69 0.00 0.33 1.29 0.00 0.00 0.00 176.54 178.85 3f3r h ASP 62 N 0.00 0.54 -0.25 0.19 2.03 -1.91 0.11 116.42 117.13 3f3r h ASP 62 Ca -0.00 0.00 -0.04 0.00 -0.73 0.00 0.00 57.03 56.26 3f3r h ASP 62 Cb 0.11 -0.11 -0.01 0.00 -0.83 0.00 0.00 39.33 38.49 3f3r h ASP 62 CO 0.01 0.38 0.00 0.58 -1.03 0.00 0.00 179.24 179.18 3f3r h VAL 63 N 0.65 1.25 -0.25 4.15 2.07 -1.75 -0.23 116.25 122.15 3f3r h VAL 63 Ca 0.22 -0.89 0.06 0.00 0.82 0.00 0.00 66.70 66.91 3f3r h VAL 63 Cb 0.01 1.35 -0.06 0.00 -1.52 0.00 0.00 31.29 31.08 3f3r h VAL 63 CO -0.09 0.28 -0.15 0.00 0.02 0.00 0.00 177.57 177.63 3f3r h ALA 64 N 0.81 0.04 0.25 1.67 0.00 -1.23 -1.27 119.26 119.55 3f3r h ALA 64 Ca 0.07 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 3f3r h ALA 64 Cb 0.40 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3f3r h ALA 64 CO 0.01 -0.56 -0.18 0.37 0.00 0.00 0.00 179.25 178.89 3f3r h GLN 65 N -0.13 -0.42 -0.45 0.00 4.15 -0.70 -0.82 115.11 116.74 3f3r h GLN 65 Ca 0.14 0.03 0.07 0.00 0.77 0.00 0.00 58.65 59.66 3f3r h GLN 65 Cb 0.33 0.10 -0.03 0.00 0.21 0.00 0.00 27.48 28.09 3f3r h GLN 65 CO -0.33 -0.28 0.31 -0.22 -1.93 0.00 0.00 178.83 176.38 3f3r h LYS 66 N -0.44 0.30 -0.44 1.69 3.64 -0.90 -1.10 116.57 119.32 3f3r h LYS 66 Ca -0.02 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3f3r h LYS 66 Cb 0.38 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 3f3r h LYS 66 CO 0.00 0.20 0.00 0.09 -2.27 0.00 0.00 179.45 177.47 3f3r n ASN 67 N -4.47 2.61 -3.22 4.20 3.02 -0.49 -4.94 115.26 111.97 3f3r n ASN 67 Ca 0.06 -1.96 -0.23 0.00 -0.03 0.00 0.00 54.58 52.43 3f3r n ASN 67 Cb 0.30 -0.29 0.05 0.00 -0.61 0.00 0.00 39.78 39.22 3f3r n ASN 67 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3f3r n GLU 68 N 0.93 -5.75 -2.85 3.52 1.02 -0.42 -4.93 120.64 112.16 3f3r n GLU 68 Ca 0.17 0.87 -0.42 0.00 -0.02 0.00 0.00 57.16 57.76 3f3r n GLU 68 Cb 0.43 -5.78 -0.04 0.00 -0.02 0.00 0.00 31.44 26.02 3f3r n GLU 68 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3f3r s VAL 69 N -3.22 4.78 -0.01 2.62 1.01 -0.40 -4.90 120.40 120.27 3f3r s VAL 69 Ca 0.40 1.56 -0.06 0.00 0.00 0.00 0.00 61.98 63.88 3f3r s VAL 69 Cb -0.18 -4.17 -0.02 0.00 0.00 0.00 0.00 36.38 32.00 3f3r s VAL 69 CO 0.49 -0.16 -0.12 -1.54 0.00 0.00 0.00 175.10 173.77 3f3r n SER 70 N 6.17 1.29 -4.75 3.32 3.41 -1.26 -4.63 113.62 117.17 3f3r n SER 70 Ca 0.07 0.19 -0.40 0.00 -0.26 0.00 0.00 58.87 58.46 3f3r n SER 70 Cb 0.47 -0.45 -0.05 0.00 -0.26 0.00 0.00 64.21 63.92 3f3r n SER 70 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3f3r s ALA 71 N -2.29 3.34 -0.18 7.33 0.00 -1.26 -5.05 121.76 123.65 3f3r s ALA 71 Ca -0.10 0.66 -0.07 0.00 0.00 0.00 0.00 51.96 52.45 3f3r s ALA 71 Cb 0.02 -3.25 -0.04 0.00 0.00 0.00 0.00 23.12 19.85 3f3r s ALA 71 CO 0.15 0.09 0.05 -1.64 0.00 0.00 0.00 175.76 174.41 3f3r s MET 72 N -0.98 3.91 0.47 0.00 -1.94 -1.26 -3.24 119.30 116.26 3f3r s MET 72 Ca 0.43 -0.36 -0.11 0.00 -1.71 0.00 0.00 55.69 53.94 3f3r s MET 72 Cb -0.27 -3.16 -0.06 0.00 2.01 0.00 0.00 34.83 33.35 3f3r s MET 72 CO 0.33 0.29 0.85 -1.25 -0.01 0.00 0.00 175.02 175.24 3f3r s PRO 73 N 0.31 3.74 -0.08 2.03 0.04 -1.26 -4.55 135.00 135.23 3f3r s PRO 73 Ca 0.02 0.56 0.02 0.00 0.04 0.00 0.00 61.00 61.64 3f3r s PRO 73 Cb -0.13 -2.29 0.01 0.00 0.04 0.00 0.00 34.50 32.14 3f3r s PRO 73 CO 0.01 -0.19 -0.14 0.99 0.04 0.00 0.00 177.00 177.70 3f3r s THR 74 N -2.61 1.30 -0.27 1.26 2.01 -0.85 -1.58 115.64 114.90 3f3r s THR 74 Ca 0.53 -0.56 -0.11 0.00 0.31 0.00 0.00 61.69 61.86 3f3r s THR 74 Cb -0.10 -1.19 -0.05 0.00 0.01 0.00 0.00 72.50 71.17 3f3r s THR 74 CO 0.37 0.40 0.18 -0.22 -0.69 0.00 0.00 174.62 174.66 3f3r s LEU 75 N 0.77 4.00 -0.09 4.42 1.98 0.42 -0.70 118.68 129.49 3f3r s LEU 75 Ca -0.12 0.00 0.02 0.00 -2.89 0.00 0.00 54.13 51.14 3f3r s LEU 75 Cb -0.16 -2.11 -0.02 0.00 0.66 0.00 0.00 46.19 44.57 3f3r s LEU 75 CO 0.02 -0.03 -0.13 -0.76 -1.89 0.00 0.00 176.35 173.57 3f3r s LEU 76 N 1.62 2.77 -0.10 -0.68 1.43 -0.32 -0.94 118.68 122.46 3f3r s LEU 76 Ca 0.07 -0.23 0.02 0.00 -1.03 0.00 0.00 54.13 52.95 3f3r s LEU 76 Cb -0.15 -1.59 -0.02 0.00 0.03 0.00 0.00 46.19 44.46 3f3r s LEU 76 CO 0.09 0.27 -0.15 -0.76 0.23 0.00 0.00 176.35 176.03 3f3r s LEU 77 N -0.28 2.60 0.11 1.79 1.02 -0.59 -0.54 118.68 122.79 3f3r s LEU 77 Ca 0.02 -0.33 0.07 0.00 0.02 0.00 0.00 54.13 53.91 3f3r s LEU 77 Cb -0.13 -1.56 -0.04 0.00 0.02 0.00 0.00 46.19 44.49 3f3r s LEU 77 CO 0.03 0.22 -0.17 -0.36 0.02 0.00 0.00 176.35 176.08 3f3r s PHE 78 N 0.04 1.55 -0.19 0.29 0.40 0.22 -0.40 117.98 119.90 3f3r s PHE 78 Ca -0.06 -0.47 -0.10 0.00 -0.60 0.00 0.00 56.93 55.70 3f3r s PHE 78 Cb -0.15 -0.83 0.07 0.00 0.51 0.00 0.00 43.02 42.62 3f3r s PHE 78 CO 0.05 0.17 0.45 0.21 0.70 0.00 0.00 175.22 176.80 3f3r s LYS 79 N -2.22 0.42 -1.52 0.44 2.20 -0.40 -0.63 119.74 118.03 3f3r s LYS 79 Ca 0.07 0.89 -0.12 0.00 -0.36 0.00 0.00 55.97 56.45 3f3r s LYS 79 Cb -0.08 0.06 0.08 0.00 -1.51 0.00 0.00 37.83 36.38 3f3r s LYS 79 CO 0.04 -0.17 0.86 -1.71 -0.36 0.00 0.00 175.35 174.01 3f3r n ASN 80 N 4.47 -3.66 0.00 1.43 5.15 0.00 -1.88 115.26 120.77 3f3r n ASN 80 Ca -0.20 -0.85 0.00 0.00 -0.60 0.00 0.00 54.58 52.93 3f3r n ASN 80 Cb 0.55 -3.63 0.00 0.00 -0.53 0.00 0.00 39.78 36.16 3f3r n ASN 80 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3f3r n GLY 81 N -1.65 1.50 3.60 8.20 0.00 0.13 -4.90 105.19 112.07 3f3r n GLY 81 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 3f3r n GLY 81 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3f3r s LYS 82 N -0.06 2.70 -0.38 1.61 -0.14 -0.79 -4.92 119.74 117.76 3f3r s LYS 82 Ca 0.00 -0.60 -0.29 0.00 -1.36 0.00 0.00 55.97 53.72 3f3r s LYS 82 Cb 0.00 -2.58 0.02 0.00 -1.68 0.00 0.00 37.83 33.59 3f3r s LYS 82 CO 0.00 0.64 1.12 -2.00 -0.76 0.00 0.00 175.35 174.36 3f3r s GLU 83 N -1.07 3.92 0.06 1.68 2.12 -1.26 -1.27 118.70 122.88 3f3r s GLU 83 Ca 0.15 0.90 0.22 0.00 0.36 0.00 0.00 54.97 56.60 3f3r s GLU 83 Cb -0.11 -3.82 -0.18 0.00 0.26 0.00 0.00 34.13 30.28 3f3r s GLU 83 CO 0.04 -1.11 0.74 1.33 -0.54 0.00 0.00 175.26 175.72 3f3r n VAL 84 N 6.28 0.24 -3.47 3.70 0.24 0.47 -4.99 118.33 120.81 3f3r n VAL 84 Ca 0.12 -0.49 -0.14 0.00 -2.04 0.00 0.00 64.34 61.80 3f3r n VAL 84 Cb 0.48 -0.09 -0.03 0.00 -1.47 0.00 0.00 33.84 32.73 3f3r n VAL 84 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3f3r s ALA 85 N -3.43 -1.59 -0.02 2.33 0.00 -1.15 -4.99 121.76 112.92 3f3r s ALA 85 Ca -0.04 0.69 0.00 0.00 0.00 0.00 0.00 51.96 52.61 3f3r s ALA 85 Cb 0.12 0.62 0.02 0.00 0.00 0.00 0.00 23.12 23.88 3f3r s ALA 85 CO 0.86 -0.64 0.02 0.21 0.00 0.00 0.00 175.76 176.20 3f3r s LYS 86 N -3.00 -0.02 -0.12 0.00 2.20 -1.26 -1.55 119.74 115.99 3f3r s LYS 86 Ca -0.02 0.14 -0.01 0.00 -0.36 0.00 0.00 55.97 55.72 3f3r s LYS 86 Cb -0.01 -0.20 0.03 0.00 -1.51 0.00 0.00 37.83 36.15 3f3r s LYS 86 CO -0.06 -0.13 -0.05 0.08 -0.36 0.00 0.00 175.35 174.83 3f3r s VAL 87 N 0.81 0.92 -0.12 4.02 1.01 -0.12 -5.00 120.40 121.92 3f3r s VAL 87 Ca -0.07 -0.33 -0.17 0.00 0.00 0.00 0.00 61.98 61.41 3f3r s VAL 87 Cb -0.10 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.21 3f3r s VAL 87 CO -0.02 0.26 0.43 -0.69 0.00 0.00 0.00 175.10 175.08 3f3r s VAL 88 N 1.74 5.21 0.00 2.92 1.01 -1.26 -0.44 120.40 129.57 3f3r s VAL 88 Ca 0.04 0.86 0.00 0.00 0.00 0.00 0.00 61.98 62.87 3f3r s VAL 88 Cb -0.13 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.48 3f3r s VAL 88 CO -0.08 0.35 0.00 0.61 0.00 0.00 0.00 175.10 175.99 3f3r n GLY 89 N 3.21 2.04 3.54 4.51 0.00 -0.61 -4.78 105.19 113.10 3f3r n GLY 89 Ca -0.08 -1.95 -0.43 0.00 0.00 0.00 0.00 46.02 43.56 3f3r n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f3r s ALA 90 N -2.62 3.28 -0.53 4.61 0.00 -1.26 -4.88 121.76 120.36 3f3r s ALA 90 Ca 0.00 -2.80 0.04 0.00 0.00 0.00 0.00 51.96 49.20 3f3r s ALA 90 Cb 0.00 -4.44 0.14 0.00 0.00 0.00 0.00 23.12 18.81 3f3r s ALA 90 CO 0.00 -3.25 0.29 -0.80 0.00 0.00 0.00 175.76 172.00 3f3r s ASN 91 N 4.10 4.21 0.18 0.00 0.01 -1.26 -5.00 114.94 117.18 3f3r s ASN 91 Ca 0.47 -3.07 -0.13 0.00 -0.71 0.00 0.00 52.86 49.42 3f3r s ASN 91 Cb 0.01 -1.50 0.10 0.00 0.41 0.00 0.00 41.25 40.27 3f3r s ASN 91 CO -0.01 -0.21 1.83 1.55 -1.51 0.00 0.00 177.10 178.75 3f3r h PRO 92 N 6.35 0.68 -0.59 -0.60 0.13 -1.99 -0.79 132.00 135.19 3f3r h PRO 92 Ca -0.03 -0.04 -0.09 0.00 -0.87 0.00 0.00 66.00 64.98 3f3r h PRO 92 Cb 0.88 -0.15 -0.02 0.00 0.13 0.00 0.00 31.00 31.83 3f3r h PRO 92 CO 0.65 0.45 0.03 0.00 -0.23 0.00 0.00 178.00 178.90 3f3r h ALA 93 N 1.23 0.79 -0.60 -0.56 0.00 -1.99 0.72 119.26 118.85 3f3r h ALA 93 Ca 0.22 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.85 3f3r h ALA 93 Cb -0.02 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 3f3r h ALA 93 CO -0.08 0.60 0.39 0.00 0.00 0.00 0.00 179.25 180.16 3f3r h ALA 94 N 0.99 0.76 -0.08 0.00 0.00 -1.95 -1.32 119.26 117.66 3f3r h ALA 94 Ca 0.17 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3f3r h ALA 94 Cb 0.51 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 3f3r h ALA 94 CO 0.02 0.18 0.02 0.82 0.00 0.00 0.00 179.25 180.29 3f3r h ILE 95 N 0.79 1.17 -0.32 0.00 2.04 -0.84 -1.27 117.51 119.08 3f3r h ILE 95 Ca 0.22 -0.53 0.02 0.00 1.00 0.00 0.00 64.86 65.58 3f3r h ILE 95 Cb -0.07 1.38 -0.03 0.00 -0.74 0.00 0.00 36.82 37.36 3f3r h ILE 95 CO -0.06 0.15 0.17 0.50 0.00 0.00 0.00 178.15 178.91 3f3r h LYS 96 N -0.06 0.34 -0.00 2.37 3.64 -0.80 -0.95 116.57 121.10 3f3r h LYS 96 Ca 0.03 -0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.26 3f3r h LYS 96 Cb 0.22 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 3f3r h LYS 96 CO -0.00 0.22 -0.58 1.96 -2.27 0.00 0.00 179.45 178.78 3f3r h GLN 97 N 0.35 0.01 -0.75 1.90 1.08 -1.19 0.64 115.11 117.15 3f3r h GLN 97 Ca 0.13 -0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.28 3f3r h GLN 97 Cb 0.04 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.44 3f3r h GLN 97 CO -0.09 0.58 0.25 0.00 -0.95 0.00 0.00 178.83 178.63 3f3r h ALA 98 N 1.41 1.04 -0.10 3.87 0.00 -0.86 -1.42 119.26 123.21 3f3r h ALA 98 Ca -0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 3f3r h ALA 98 Cb 1.03 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 3f3r h ALA 98 CO 0.08 0.66 0.01 0.82 0.00 0.00 0.00 179.25 180.81 3f3r h ILE 99 N 1.10 1.23 -0.91 0.00 2.04 -0.64 -3.13 117.51 117.20 3f3r h ILE 99 Ca 0.24 -0.71 0.05 0.00 1.00 0.00 0.00 64.86 65.45 3f3r h ILE 99 Cb 0.27 1.52 -0.06 0.00 -0.74 0.00 0.00 36.82 37.81 3f3r h ILE 99 CO -0.01 0.20 0.59 0.00 0.00 0.00 0.00 178.15 178.93 3f3r h ALA 100 N 0.77 1.47 0.00 1.87 0.00 -0.78 0.28 119.26 122.88 3f3r h ALA 100 Ca 0.03 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3f3r h ALA 100 Cb 0.31 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 3f3r h ALA 100 CO 0.00 0.41 -0.08 0.00 0.00 0.00 0.00 179.25 179.58 3f3r h ALA 101 N 1.49 1.06 0.00 0.00 0.00 -1.22 -3.30 119.26 117.28 3f3r h ALA 101 Ca 0.38 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3f3r h ALA 101 Cb 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3f3r h ALA 101 CO -0.13 0.10 -0.12 0.09 0.00 0.00 0.00 179.25 179.19 3f3r n ASN 102 N -3.26 0.30 0.00 0.00 4.13 -0.71 -5.11 115.26 110.61 3f3r n ASN 102 Ca -0.00 -0.51 0.05 0.00 1.68 0.00 0.00 54.58 55.80 3f3r n ASN 102 Cb 0.30 1.00 0.32 0.00 -1.54 0.00 0.00 39.78 39.86 3f3r n ASN 102 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54