#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f3r s HIS -1 N 0.00 3.43 -1.25 4.41 0.09 -1.26 -4.47 115.29 116.24 3f3r s HIS -1 Ca 0.00 0.98 0.00 0.00 -0.00 0.00 0.00 55.06 56.04 3f3r s HIS -1 Cb 0.00 -2.78 0.00 0.00 -0.00 0.00 0.00 32.58 29.80 3f3r s HIS -1 CO 0.00 -0.83 0.00 0.72 -0.00 0.00 0.00 174.74 174.63 3f3r n HIS 0 N -2.72 -0.33 0.18 1.40 -0.00 -1.26 -4.92 115.22 107.56 3f3r n HIS 0 Ca 0.05 0.00 0.05 0.00 -0.00 0.00 0.00 57.72 57.82 3f3r n HIS 0 Cb 0.56 -2.65 0.33 0.00 -0.00 0.00 0.00 29.99 28.24 3f3r n HIS 0 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 176.34 176.86 3f3r h MET 1 N 0.00 0.00 -4.97 -0.41 0.00 -1.95 -3.40 114.93 104.19 3f3r h MET 1 Ca -0.29 0.00 -0.66 0.00 0.00 0.00 0.00 59.70 58.75 3f3r h MET 1 Cb 1.06 0.00 -0.28 0.00 0.00 0.00 0.00 31.60 32.38 3f3r h MET 1 CO 0.38 0.40 -0.72 0.08 0.00 0.00 0.00 176.91 177.05 3f3r s VAL 2 N -3.69 3.37 -0.05 -2.22 1.01 -1.26 -4.02 120.40 113.54 3f3r s VAL 2 Ca -0.01 -0.56 -0.03 0.00 0.00 0.00 0.00 61.98 61.38 3f3r s VAL 2 Cb 0.12 -2.57 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 3f3r s VAL 2 CO 0.70 0.38 0.13 0.28 0.00 0.00 0.00 175.10 176.58 3f3r s THR 3 N 1.47 5.18 -0.19 3.92 -1.32 -0.88 -4.92 115.64 118.90 3f3r s THR 3 Ca 0.05 -0.11 -0.22 0.00 -1.21 0.00 0.00 61.69 60.20 3f3r s THR 3 Cb -0.15 -3.33 -0.02 0.00 -1.51 0.00 0.00 72.50 67.49 3f3r s THR 3 CO -0.03 0.46 0.70 -1.58 -2.21 0.00 0.00 174.62 171.95 3f3r s GLN 4 N -1.49 4.24 0.33 7.08 2.00 -1.26 -0.85 119.66 129.71 3f3r s GLN 4 Ca 0.21 0.75 -0.29 0.00 -2.00 0.00 0.00 55.36 54.03 3f3r s GLN 4 Cb -0.12 -3.58 -0.10 0.00 0.80 0.00 0.00 33.01 30.01 3f3r s GLN 4 CO 0.11 -0.27 1.39 -0.06 -0.50 0.00 0.00 175.29 175.95 3f3r s PHE 5 N 2.01 2.90 -0.02 1.67 0.08 -0.54 -4.95 117.98 119.13 3f3r s PHE 5 Ca 0.32 1.27 0.06 0.00 0.12 0.00 0.00 56.93 58.70 3f3r s PHE 5 Cb -0.16 -3.81 -0.10 0.00 -0.57 0.00 0.00 43.02 38.38 3f3r s PHE 5 CO 0.11 -2.35 0.12 1.63 -0.10 0.00 0.00 175.22 174.63 3f3r n LYS 6 N 0.94 0.57 -4.11 0.44 4.76 -1.26 -4.80 118.16 114.70 3f3r n LYS 6 Ca 0.01 -0.05 -0.08 0.00 -2.87 0.00 0.00 58.31 55.32 3f3r n LYS 6 Cb 0.41 -1.15 -0.10 0.00 -1.84 0.00 0.00 35.03 32.34 3f3r n LYS 6 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3f3r s THR 7 N -2.40 0.24 0.23 -0.18 -4.23 -1.26 -5.00 115.64 103.03 3f3r s THR 7 Ca -0.02 -1.85 -0.07 0.00 -1.18 0.00 0.00 61.69 58.56 3f3r s THR 7 Cb 0.04 -1.68 0.22 0.00 1.34 0.00 0.00 72.50 72.41 3f3r s THR 7 CO 0.26 -0.84 1.89 0.00 -0.54 0.00 0.00 174.62 175.39 3f3r h ALA 8 N 3.05 1.15 -0.74 3.99 0.00 -1.97 -2.88 119.26 121.86 3f3r h ALA 8 Ca -0.34 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 3f3r h ALA 8 Cb 1.16 -0.37 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 3f3r h ALA 8 CO 0.64 0.60 0.38 0.77 0.00 0.00 0.00 179.25 181.63 3f3r h SER 9 N 1.24 0.94 -0.31 0.00 0.02 -1.99 -1.18 113.55 112.27 3f3r h SER 9 Ca 0.33 -0.09 0.03 0.00 -0.84 0.00 0.00 61.79 61.21 3f3r h SER 9 Cb -0.08 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.19 3f3r h SER 9 CO -0.06 0.78 0.13 -0.33 -1.14 0.00 0.00 176.83 176.20 3f3r h GLU 10 N 1.05 0.27 -0.03 3.45 5.08 -1.93 -1.78 114.58 120.69 3f3r h GLU 10 Ca 0.26 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.63 3f3r h GLU 10 Cb 0.07 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 3f3r h GLU 10 CO -0.04 0.18 -0.14 0.35 -1.00 0.00 0.00 179.01 178.36 3f3r h PHE 11 N 0.28 -0.36 -0.79 4.33 3.57 -1.24 -0.45 116.94 122.28 3f3r h PHE 11 Ca 0.13 0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.74 3f3r h PHE 11 Cb 0.08 0.16 -0.07 0.00 2.79 0.00 0.00 35.95 38.91 3f3r h PHE 11 CO -0.12 -0.21 0.44 -0.44 -2.23 0.00 0.00 178.31 175.75 3f3r h ASP 12 N -0.22 0.61 -0.20 0.41 3.32 -0.99 -1.38 116.42 117.98 3f3r h ASP 12 Ca 0.06 0.05 -0.06 0.00 0.02 0.00 0.00 57.03 57.11 3f3r h ASP 12 Cb 0.30 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 3f3r h ASP 12 CO -0.16 0.34 -0.10 0.28 -1.72 0.00 0.00 179.24 177.89 3f3r h SER 13 N 0.73 0.42 -0.70 6.45 0.02 -1.16 -3.24 113.55 116.07 3f3r h SER 13 Ca 0.39 -0.41 -0.01 0.00 -0.84 0.00 0.00 61.79 60.91 3f3r h SER 13 Cb 0.38 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.77 3f3r h SER 13 CO -0.26 0.74 0.40 0.00 -1.14 0.00 0.00 176.83 176.57 3f3r h ALA 14 N 0.69 0.90 0.00 3.77 0.00 -0.43 -2.11 119.26 122.09 3f3r h ALA 14 Ca 0.04 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3f3r h ALA 14 Cb 0.58 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3f3r h ALA 14 CO 0.03 0.40 0.00 0.44 0.00 0.00 0.00 179.25 180.12 3f3r n ILE 15 N -4.51 0.75 1.03 0.00 -5.35 -0.58 -2.47 119.36 108.22 3f3r n ILE 15 Ca 0.06 0.12 0.13 0.00 -0.27 0.00 0.00 62.75 62.79 3f3r n ILE 15 Cb 0.08 -0.95 0.60 0.00 -1.74 0.00 0.00 39.64 37.63 3f3r n ILE 15 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3f3r n ALA 16 N -1.67 2.26 -1.45 -1.28 0.00 -0.79 -0.80 120.51 116.78 3f3r n ALA 16 Ca 0.04 -0.10 -0.35 0.00 0.00 0.00 0.00 53.44 53.03 3f3r n ALA 16 Cb 0.26 -1.44 0.08 0.00 0.00 0.00 0.00 19.45 18.36 3f3r n ALA 16 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3f3r s GLN 17 N -2.88 2.30 -1.34 0.00 -0.21 -1.03 -4.28 119.66 112.21 3f3r s GLN 17 Ca 0.17 1.78 -0.08 0.00 0.02 0.00 0.00 55.36 57.25 3f3r s GLN 17 Cb 0.18 -1.85 0.12 0.00 1.00 0.00 0.00 33.01 32.46 3f3r s GLN 17 CO 0.47 -1.72 2.21 -0.25 -2.12 0.00 0.00 175.29 173.88 3f3r n ASP 18 N -2.50 6.60 -3.73 5.90 8.00 -1.26 -1.97 116.55 127.58 3f3r n ASP 18 Ca 0.14 -3.06 -0.03 0.00 0.71 0.00 0.00 54.79 52.54 3f3r n ASP 18 Cb 0.50 -1.45 -0.01 0.00 -0.02 0.00 0.00 41.12 40.14 3f3r n ASP 18 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 3f3r s LYS 19 N 0.05 1.14 0.08 -1.24 -2.85 -1.26 -5.00 119.74 110.66 3f3r s LYS 19 Ca 0.49 -0.64 -0.30 0.00 -1.00 0.00 0.00 55.97 54.52 3f3r s LYS 19 Cb 0.14 0.39 -0.06 0.00 -2.06 0.00 0.00 37.83 36.24 3f3r s LYS 19 CO -0.05 -0.52 1.15 -1.17 0.10 0.00 0.00 175.35 174.86 3f3r s LEU 20 N -2.96 4.39 -0.16 2.77 2.96 -1.26 -4.17 118.68 120.25 3f3r s LEU 20 Ca 0.13 1.99 0.02 0.00 -0.22 0.00 0.00 54.13 56.04 3f3r s LEU 20 Cb -0.01 -3.58 0.01 0.00 0.50 0.00 0.00 46.19 43.11 3f3r s LEU 20 CO 0.02 -0.40 -0.21 -0.69 -1.32 0.00 0.00 176.35 173.75 3f3r s VAL 21 N 0.80 2.05 -0.18 1.68 1.01 0.46 -1.13 120.40 125.09 3f3r s VAL 21 Ca 0.56 -0.96 -0.04 0.00 0.00 0.00 0.00 61.98 61.54 3f3r s VAL 21 Cb -0.28 -1.83 -0.02 0.00 0.00 0.00 0.00 36.38 34.24 3f3r s VAL 21 CO 0.30 0.54 -0.04 -0.69 0.00 0.00 0.00 175.10 175.22 3f3r s VAL 22 N 1.02 3.71 -0.16 2.92 1.01 0.14 -0.75 120.40 128.29 3f3r s VAL 22 Ca -0.02 -0.41 0.01 0.00 0.00 0.00 0.00 61.98 61.56 3f3r s VAL 22 Cb -0.14 -2.65 0.03 0.00 0.00 0.00 0.00 36.38 33.62 3f3r s VAL 22 CO -0.07 0.46 -0.14 -0.69 0.00 0.00 0.00 175.10 174.67 3f3r s VAL 23 N 0.78 1.63 -0.57 2.92 1.01 0.26 -0.26 120.40 126.17 3f3r s VAL 23 Ca -0.01 -0.75 -0.23 0.00 0.00 0.00 0.00 61.98 60.99 3f3r s VAL 23 Cb -0.15 -1.56 0.05 0.00 0.00 0.00 0.00 36.38 34.72 3f3r s VAL 23 CO 0.02 0.40 0.88 -0.62 0.00 0.00 0.00 175.10 175.78 3f3r s ASP 24 N 1.45 6.27 -0.26 3.32 2.15 -0.05 -1.53 116.67 128.03 3f3r s ASP 24 Ca 0.04 -0.63 -0.21 0.00 0.43 0.00 0.00 52.55 52.18 3f3r s ASP 24 Cb -0.14 -2.40 -0.02 0.00 -0.30 0.00 0.00 42.92 40.07 3f3r s ASP 24 CO -0.10 -1.21 0.66 -0.36 -0.17 0.00 0.00 175.17 173.98 3f3r s PHE 25 N 3.71 3.28 0.21 -5.34 0.40 -0.08 -0.40 117.98 119.76 3f3r s PHE 25 Ca 0.25 0.83 -0.02 0.00 -0.60 0.00 0.00 56.93 57.40 3f3r s PHE 25 Cb -0.15 -2.89 -0.04 0.00 0.51 0.00 0.00 43.02 40.46 3f3r s PHE 25 CO 0.15 -0.35 0.16 1.52 0.70 0.00 0.00 175.22 177.40 3f3r s TYR 26 N 2.56 1.12 -0.05 0.36 -0.85 -0.63 -1.88 117.35 117.98 3f3r s TYR 26 Ca 0.27 -1.34 -0.04 0.00 -0.52 0.00 0.00 57.07 55.44 3f3r s TYR 26 Cb -0.15 -0.50 0.02 0.00 0.38 0.00 0.00 41.96 41.70 3f3r s TYR 26 CO 0.09 -0.68 0.13 0.00 -1.52 0.00 0.00 175.55 173.57 3f3r s ALA 27 N -4.12 -0.30 0.36 9.51 0.00 -1.26 -1.04 121.76 124.91 3f3r s ALA 27 Ca 0.38 0.42 0.26 0.00 0.00 0.00 0.00 51.96 53.02 3f3r s ALA 27 Cb 0.06 -0.26 1.30 0.00 0.00 0.00 0.00 23.12 24.23 3f3r s ALA 27 CO 0.12 -0.08 2.01 1.79 0.00 0.00 0.00 175.76 179.61 3f3r h THR 28 N 5.18 0.61 0.00 0.00 1.35 -1.99 -1.13 112.91 116.93 3f3r h THR 28 Ca -0.29 -0.68 0.00 0.00 -0.55 0.00 0.00 66.41 64.89 3f3r h THR 28 Cb 1.19 1.44 0.00 0.00 -1.73 0.00 0.00 68.15 69.05 3f3r h THR 28 CO 0.43 0.15 0.00 -2.67 -0.25 0.00 0.00 175.52 173.18 3f3r n TRP 29 N -3.63 0.82 -3.38 4.73 4.27 -1.26 -4.59 117.44 114.39 3f3r n TRP 29 Ca -0.01 0.25 -0.45 0.00 -3.89 0.00 0.00 57.50 53.40 3f3r n TRP 29 Cb 0.28 -0.91 -0.05 0.00 -1.36 0.00 0.00 31.31 29.27 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 8.48 -0.31 -0.30 0.00 0.00 -1.81 -0.27 103.07 108.86 3f3r h GLY 31 Ca -0.18 0.40 0.27 0.00 0.00 0.00 0.00 47.33 47.82 3f3r h GLY 31 CO 0.93 -0.21 0.53 -2.55 0.00 0.00 0.00 176.54 175.24 3f3r h PRO 32 N -0.30 0.43 -0.03 4.80 0.11 -1.93 -0.53 132.00 134.55 3f3r h PRO 32 Ca 0.14 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 66.11 3f3r h PRO 32 Cb 0.54 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.53 3f3r h PRO 32 CO -0.46 0.28 -0.52 0.66 -0.21 0.00 0.00 178.00 177.75 3f3r h SER 33 N 0.44 0.08 1.20 -2.05 4.64 -1.31 -2.73 113.55 113.81 3f3r h SER 33 Ca 0.65 -0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.93 3f3r h SER 33 Cb 1.34 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 63.41 3f3r h SER 33 CO -0.54 0.59 -0.04 0.11 -0.87 0.00 0.00 176.83 176.07 3f3r h LYS 34 N 0.06 0.00 0.00 4.77 1.79 -0.61 -2.56 116.57 120.01 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 0.94 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.59 3f3r h LYS 34 CO 0.07 0.04 0.00 0.52 -1.08 0.00 0.00 179.45 179.00 3f3r h MET 35 N 0.00 0.00 -0.37 3.15 2.86 -1.11 -3.26 114.93 116.20 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 0.65 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.30 3f3r h MET 35 CO 0.01 0.00 -0.40 0.82 1.06 0.00 0.00 176.91 178.39 3f3r h ILE 36 N 0.00 1.27 -0.42 -1.22 1.08 -1.58 -3.32 117.51 113.32 3f3r h ILE 36 Ca 0.00 -1.58 0.04 0.00 -0.39 0.00 0.00 64.86 62.94 3f3r h ILE 36 Cb 0.30 1.43 -0.07 0.00 -3.07 0.00 0.00 36.82 35.41 3f3r h ILE 36 CO 0.00 0.53 -0.43 0.00 -0.69 0.00 0.00 178.15 177.56 3f3r h ALA 37 N 0.75 -0.60 -0.21 1.87 0.00 -1.76 0.70 119.26 120.02 3f3r h ALA 37 Ca 0.05 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.00 3f3r h ALA 37 Cb 1.00 1.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.88 3f3r h ALA 37 CO 0.10 -0.83 0.14 -1.00 0.00 0.00 0.00 179.25 177.66 3f3r h PRO 38 N -0.22 0.23 0.00 0.00 0.13 -1.79 -0.54 132.00 129.80 3f3r h PRO 38 Ca 0.07 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 65.19 3f3r h PRO 38 Cb 0.41 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.49 3f3r h PRO 38 CO -0.52 0.15 -0.00 0.52 -0.23 0.00 0.00 178.00 177.92 3f3r h MET 39 N 0.23 -0.00 -0.46 0.86 2.86 -1.47 -2.59 114.93 114.35 3f3r h MET 39 Ca 0.08 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.71 3f3r h MET 39 Cb 0.05 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.68 3f3r h MET 39 CO -0.02 0.28 0.23 0.82 1.06 0.00 0.00 176.91 179.29 3f3r h ILE 40 N -0.28 1.15 -0.33 -1.22 5.03 -0.53 -0.63 117.51 120.71 3f3r h ILE 40 Ca -0.00 -0.42 0.01 0.00 -0.12 0.00 0.00 64.86 64.34 3f3r h ILE 40 Cb 0.28 0.55 -0.02 0.00 -3.03 0.00 0.00 36.82 34.60 3f3r h ILE 40 CO 0.00 0.17 0.19 -0.33 -0.68 0.00 0.00 178.15 177.50 3f3r h GLU 41 N 0.64 0.37 -0.12 2.37 4.39 -1.04 0.22 114.58 121.43 3f3r h GLU 41 Ca 0.16 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.84 3f3r h GLU 41 Cb 0.05 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 3f3r h GLU 41 CO -0.02 0.25 0.05 -0.22 -1.16 0.00 0.00 179.01 177.90 3f3r h LYS 42 N 0.38 0.17 -0.73 2.33 3.64 -0.98 -3.20 116.57 118.19 3f3r h LYS 42 Ca 0.13 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 3f3r h LYS 42 Cb 0.01 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.76 3f3r h LYS 42 CO -0.06 0.26 0.41 0.74 -2.27 0.00 0.00 179.45 178.53 3f3r h PHE 43 N 0.05 0.97 -0.48 1.91 0.04 -0.85 -2.58 116.94 116.00 3f3r h PHE 43 Ca 0.04 -0.01 0.09 0.00 2.80 0.00 0.00 57.97 60.89 3f3r h PHE 43 Cb 0.15 -0.32 -0.03 0.00 2.20 0.00 0.00 35.95 37.96 3f3r h PHE 43 CO -0.02 0.66 0.33 0.66 -0.60 0.00 0.00 178.31 179.34 3f3r h SER 44 N 1.01 0.21 1.67 2.17 4.64 -0.55 -0.66 113.55 122.03 3f3r h SER 44 Ca 0.26 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.53 3f3r h SER 44 Cb -0.00 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.04 3f3r h SER 44 CO -0.05 0.13 -0.33 -0.33 -0.87 0.00 0.00 176.83 175.38 3f3r h GLU 45 N 0.23 0.00 0.00 4.77 4.39 -1.49 -2.99 114.58 119.50 3f3r h GLU 45 Ca 0.22 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.70 3f3r h GLU 45 Cb 0.56 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.18 3f3r h GLU 45 CO -0.04 0.24 -1.18 1.96 -1.16 0.00 0.00 179.01 178.83 3f3r h GLN 46 N 0.00 0.00 -2.12 2.33 4.20 -1.19 -3.38 115.11 114.95 3f3r h GLN 46 Ca -0.01 0.00 -0.56 0.00 0.06 0.00 0.00 58.65 58.14 3f3r h GLN 46 Cb 1.20 0.00 -0.41 0.00 0.30 0.00 0.00 27.48 28.56 3f3r h GLN 46 CO 0.03 0.74 -0.80 0.66 -0.67 0.00 0.00 178.83 178.80 3f3r n TYR 47 N -3.21 2.99 0.28 2.96 4.01 -0.37 -4.94 117.16 118.88 3f3r n TYR 47 Ca -0.05 -3.86 0.17 0.00 -0.16 0.00 0.00 57.90 54.00 3f3r n TYR 47 Cb 0.94 -0.44 0.85 0.00 -0.31 0.00 0.00 39.34 40.38 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 2.95 0.00 0.00 -0.72 0.13 -1.71 -0.75 132.00 131.90 3f3r h PRO 48 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3f3r h PRO 48 Cb 0.67 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.80 3f3r h PRO 48 CO 0.74 0.00 0.00 -0.56 -0.23 0.00 0.00 178.00 177.95 3f3r h GLN 49 N 0.00 0.00 -6.22 0.86 -0.00 -1.91 -3.43 115.11 104.41 3f3r h GLN 49 Ca 0.00 0.00 -0.56 0.00 -0.00 0.00 0.00 58.65 58.09 3f3r h GLN 49 Cb 0.11 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 27.56 3f3r h GLN 49 CO 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 178.83 178.53 3f3r s ALA 50 N -3.28 3.78 -0.03 0.06 0.00 -0.29 -4.56 121.76 117.44 3f3r s ALA 50 Ca 0.06 -0.62 -0.08 0.00 0.00 0.00 0.00 51.96 51.33 3f3r s ALA 50 Cb 0.10 -2.12 -0.05 0.00 0.00 0.00 0.00 23.12 21.05 3f3r s ALA 50 CO 0.49 0.57 0.24 -0.51 0.00 0.00 0.00 175.76 176.55 3f3r s ASP 51 N -2.67 6.50 -0.06 0.00 1.11 -0.28 -5.01 116.67 116.26 3f3r s ASP 51 Ca 0.41 0.58 0.05 0.00 0.18 0.00 0.00 52.55 53.76 3f3r s ASP 51 Cb -0.12 -2.10 -0.01 0.00 1.07 0.00 0.00 42.92 41.77 3f3r s ASP 51 CO 0.26 0.31 -0.21 -0.36 1.18 0.00 0.00 175.17 176.35 3f3r s PHE 52 N -1.19 2.12 0.08 4.23 0.40 -1.26 -0.68 117.98 121.69 3f3r s PHE 52 Ca 0.23 -0.66 0.01 0.00 -0.60 0.00 0.00 56.93 55.91 3f3r s PHE 52 Cb -0.13 -1.41 -0.04 0.00 0.51 0.00 0.00 43.02 41.95 3f3r s PHE 52 CO 0.12 -0.22 -0.06 0.71 0.70 0.00 0.00 175.22 176.47 3f3r s TYR 53 N 0.01 0.78 0.18 0.36 1.51 0.65 -2.07 117.35 118.77 3f3r s TYR 53 Ca -0.06 -0.89 0.09 0.00 -1.01 0.00 0.00 57.07 55.20 3f3r s TYR 53 Cb -0.13 -0.47 -0.04 0.00 -0.11 0.00 0.00 41.96 41.20 3f3r s TYR 53 CO 0.04 -0.19 -0.19 -1.59 -1.11 0.00 0.00 175.55 172.51 3f3r s LYS 54 N -3.54 1.34 -0.15 -0.62 -2.85 -0.03 -0.87 119.74 113.01 3f3r s LYS 54 Ca 0.08 -1.46 -0.05 0.00 -1.00 0.00 0.00 55.97 53.54 3f3r s LYS 54 Cb 0.04 -1.42 0.07 0.00 -2.06 0.00 0.00 37.83 34.46 3f3r s LYS 54 CO -0.05 0.29 0.28 -1.17 0.10 0.00 0.00 175.35 174.80 3f3r s LEU 55 N -2.76 -0.35 -0.39 2.77 0.20 0.46 -1.47 118.68 117.15 3f3r s LEU 55 Ca 0.18 0.55 -0.27 0.00 0.69 0.00 0.00 54.13 55.28 3f3r s LEU 55 Cb -0.06 0.78 0.02 0.00 -0.43 0.00 0.00 46.19 46.50 3f3r s LEU 55 CO 0.08 -0.25 0.99 -0.62 -0.29 0.00 0.00 176.35 176.25 3f3r s ASP 56 N 2.44 6.69 0.47 3.68 -1.08 -1.26 -1.60 116.67 126.01 3f3r s ASP 56 Ca 0.02 0.58 0.32 0.00 -0.52 0.00 0.00 52.55 52.95 3f3r s ASP 56 Cb -0.13 -2.49 1.46 0.00 -1.46 0.00 0.00 42.92 40.31 3f3r s ASP 56 CO -0.10 -0.96 1.95 -0.37 0.52 0.00 0.00 175.17 176.22 3f3r h VAL 57 N 5.91 0.00 0.00 1.11 -1.51 -1.39 -0.48 116.25 119.90 3f3r h VAL 57 Ca -0.23 -0.27 0.00 0.00 -1.23 0.00 0.00 66.70 64.97 3f3r h VAL 57 Cb 1.07 1.13 0.00 0.00 -2.13 0.00 0.00 31.29 31.37 3f3r h VAL 57 CO 1.02 0.00 -0.30 0.47 -1.23 0.00 0.00 177.57 177.53 3f3r n ASP 58 N -2.76 0.61 -0.08 4.19 8.00 -1.26 -1.28 116.55 123.97 3f3r n ASP 58 Ca -0.00 0.29 -0.14 0.00 0.71 0.00 0.00 54.79 55.65 3f3r n ASP 58 Cb 0.20 -0.26 -0.14 0.00 -0.02 0.00 0.00 41.12 40.91 3f3r n ASP 58 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3f3r n GLU 59 N -1.99 0.68 -2.64 -1.24 1.02 -0.34 -4.68 120.64 111.45 3f3r n GLU 59 Ca 0.05 0.14 -0.22 0.00 -0.02 0.00 0.00 57.16 57.11 3f3r n GLU 59 Cb 0.41 -1.60 -0.00 0.00 -0.02 0.00 0.00 31.44 30.22 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 -3.07 3.58 0.24 -4.62 4.77 -0.34 -4.88 117.00 112.68 3f3r n LEU 60 Ca -0.33 -4.89 0.12 0.00 -0.03 0.00 0.00 56.01 50.87 3f3r n LEU 60 Cb 1.07 -0.17 0.73 0.00 -2.33 0.00 0.00 43.42 42.72 3f3r n LEU 60 CO 0.38 2.09 1.10 1.23 -1.33 0.00 0.00 177.39 180.86 3f3r h GLY 61 N 2.77 0.00 0.61 -0.72 0.00 -1.42 -1.90 103.07 102.40 3f3r h GLY 61 Ca 0.16 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.55 3f3r h GLY 61 CO 0.73 0.00 0.16 1.29 0.00 0.00 0.00 176.54 178.72 3f3r h ASP 62 N 0.00 0.17 -0.49 0.19 2.03 -1.89 -0.78 116.42 115.65 3f3r h ASP 62 Ca 0.03 0.05 -0.07 0.00 -0.73 0.00 0.00 57.03 56.31 3f3r h ASP 62 Cb 0.13 0.03 -0.02 0.00 -0.83 0.00 0.00 39.33 38.64 3f3r h ASP 62 CO -0.00 0.13 0.04 0.58 -1.03 0.00 0.00 179.24 178.96 3f3r h VAL 63 N 0.33 1.26 -0.18 4.15 2.07 -1.75 -1.19 116.25 120.93 3f3r h VAL 63 Ca 0.21 -0.99 0.04 0.00 0.82 0.00 0.00 66.70 66.78 3f3r h VAL 63 Cb 0.20 0.95 -0.04 0.00 -1.52 0.00 0.00 31.29 30.88 3f3r h VAL 63 CO -0.21 0.35 -0.07 0.00 0.02 0.00 0.00 177.57 177.66 3f3r h ALA 64 N 0.95 0.09 -0.31 1.67 0.00 -1.31 -1.84 119.26 118.51 3f3r h ALA 64 Ca 0.14 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 3f3r h ALA 64 Cb 0.45 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3f3r h ALA 64 CO 0.02 -0.50 0.09 0.37 0.00 0.00 0.00 179.25 179.23 3f3r h GLN 65 N -0.04 0.48 -0.20 0.00 4.15 -1.00 0.36 115.11 118.86 3f3r h GLN 65 Ca 0.09 -0.11 -0.02 0.00 0.77 0.00 0.00 58.65 59.38 3f3r h GLN 65 Cb 0.18 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.79 3f3r h GLN 65 CO -0.21 0.53 0.02 0.87 -1.93 0.00 0.00 178.83 178.11 3f3r h LYS 66 N 0.34 0.29 -0.67 1.69 1.57 -1.06 -1.84 116.57 116.89 3f3r h LYS 66 Ca 0.10 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3f3r h LYS 66 Cb 0.26 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.52 3f3r h LYS 66 CO -0.00 0.30 0.00 0.09 -0.57 0.00 0.00 179.45 179.27 3f3r n ASN 67 N -4.39 3.82 -3.70 0.86 3.02 -0.71 -4.96 115.26 109.21 3f3r n ASN 67 Ca -0.00 -2.00 -0.25 0.00 -0.03 0.00 0.00 54.58 52.31 3f3r n ASN 67 Cb 0.17 -0.44 0.06 0.00 -0.61 0.00 0.00 39.78 38.95 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 1.53 -6.54 -3.23 3.52 1.02 -0.62 -4.95 120.64 111.38 3f3r n GLU 68 Ca 0.23 0.73 -0.40 0.00 -0.02 0.00 0.00 57.16 57.70 3f3r n GLU 68 Cb 0.60 -5.65 -0.07 0.00 -0.02 0.00 0.00 31.44 26.30 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 -3.37 5.08 0.00 2.62 1.01 0.02 -4.92 120.40 120.83 3f3r s VAL 69 Ca 0.44 0.94 0.00 0.00 0.00 0.00 0.00 61.98 63.36 3f3r s VAL 69 Cb -0.21 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.33 3f3r s VAL 69 CO 0.78 0.12 0.00 -1.54 0.00 0.00 0.00 175.10 174.45 3f3r n SER 70 N 5.25 1.82 -4.81 3.32 3.41 -1.26 -4.59 113.62 116.75 3f3r n SER 70 Ca -0.04 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.19 3f3r n SER 70 Cb 0.50 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.39 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 -1.92 3.53 -0.14 7.33 0.00 -1.26 -5.06 121.76 124.23 3f3r s ALA 71 Ca 0.00 0.10 -0.02 0.00 0.00 0.00 0.00 51.96 52.04 3f3r s ALA 71 Cb 0.00 -2.72 -0.03 0.00 0.00 0.00 0.00 23.12 20.38 3f3r s ALA 71 CO 0.00 0.37 -0.05 1.41 0.00 0.00 0.00 175.76 177.49 3f3r s MET 72 N -1.41 3.47 0.57 0.00 1.75 -1.26 -3.09 119.30 119.33 3f3r s MET 72 Ca 0.34 -0.54 -0.14 0.00 -1.25 0.00 0.00 55.69 54.10 3f3r s MET 72 Cb -0.19 -2.82 -0.06 0.00 2.84 0.00 0.00 34.83 34.60 3f3r s MET 72 CO 0.21 0.32 1.01 -1.25 -0.65 0.00 0.00 175.02 174.66 3f3r s PRO 73 N 0.14 3.70 -0.06 4.11 0.04 -1.26 -4.59 135.00 137.08 3f3r s PRO 73 Ca -0.02 0.91 0.03 0.00 0.04 0.00 0.00 61.00 61.95 3f3r s PRO 73 Cb -0.14 -2.10 0.01 0.00 0.04 0.00 0.00 34.50 32.31 3f3r s PRO 73 CO 0.03 -0.48 -0.15 0.99 0.04 0.00 0.00 177.00 177.43 3f3r s THR 74 N -2.83 1.30 -0.23 1.26 2.01 -0.79 -1.20 115.64 115.16 3f3r s THR 74 Ca 0.58 -0.60 -0.09 0.00 0.31 0.00 0.00 61.69 61.89 3f3r s THR 74 Cb -0.11 -1.16 -0.04 0.00 0.01 0.00 0.00 72.50 71.20 3f3r s THR 74 CO 0.41 0.39 0.12 -0.76 -0.69 0.00 0.00 174.62 174.09 3f3r s LEU 75 N 0.40 3.86 -0.09 4.42 2.01 0.17 -0.90 118.68 128.55 3f3r s LEU 75 Ca -0.11 0.01 0.01 0.00 0.01 0.00 0.00 54.13 54.05 3f3r s LEU 75 Cb -0.14 -2.03 -0.02 0.00 0.01 0.00 0.00 46.19 44.01 3f3r s LEU 75 CO 0.04 0.05 -0.13 -0.76 1.01 0.00 0.00 176.35 176.56 3f3r s LEU 76 N 1.12 2.78 -0.09 1.79 1.43 -0.58 -0.89 118.68 124.24 3f3r s LEU 76 Ca 0.06 -0.24 0.03 0.00 -1.03 0.00 0.00 54.13 52.95 3f3r s LEU 76 Cb -0.14 -1.60 -0.01 0.00 0.03 0.00 0.00 46.19 44.47 3f3r s LEU 76 CO 0.04 0.26 -0.19 -0.76 0.23 0.00 0.00 176.35 175.93 3f3r s LEU 77 N -0.22 2.39 0.10 1.79 1.02 -0.59 -0.58 118.68 122.59 3f3r s LEU 77 Ca 0.01 -0.41 0.08 0.00 0.02 0.00 0.00 54.13 53.83 3f3r s LEU 77 Cb -0.13 -1.49 -0.03 0.00 0.02 0.00 0.00 46.19 44.56 3f3r s LEU 77 CO 0.03 0.21 -0.21 -0.36 0.02 0.00 0.00 176.35 176.05 3f3r s PHE 78 N 0.03 1.76 -0.05 0.29 0.40 0.07 -0.19 117.98 120.29 3f3r s PHE 78 Ca -0.07 -0.42 -0.01 0.00 -0.60 0.00 0.00 56.93 55.83 3f3r s PHE 78 Cb -0.15 -0.97 0.03 0.00 0.51 0.00 0.00 43.02 42.43 3f3r s PHE 78 CO 0.05 0.19 0.01 0.21 0.70 0.00 0.00 175.22 176.38 3f3r s LYS 79 N -1.83 0.36 -1.33 0.44 2.20 0.40 -0.40 119.74 119.57 3f3r s LYS 79 Ca 0.06 0.16 -0.07 0.00 -0.36 0.00 0.00 55.97 55.76 3f3r s LYS 79 Cb -0.10 -0.72 0.01 0.00 -1.51 0.00 0.00 37.83 35.51 3f3r s LYS 79 CO 0.04 -0.26 1.13 0.09 -0.36 0.00 0.00 175.35 175.99 3f3r n ASN 80 N 4.88 -5.25 0.00 1.43 3.02 -0.83 -1.44 115.26 117.07 3f3r n ASN 80 Ca -0.12 -0.57 0.00 0.00 -0.03 0.00 0.00 54.58 53.86 3f3r n ASN 80 Cb 0.50 -4.99 0.00 0.00 -0.61 0.00 0.00 39.78 34.68 3f3r n ASN 80 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3f3r n GLY 81 N -1.79 1.25 3.48 7.41 0.00 0.02 -4.91 105.19 110.64 3f3r n GLY 81 Ca -0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.11 3.64 -0.08 1.61 1.02 -0.52 -4.94 119.74 120.36 3f3r s LYS 82 Ca 0.00 -0.54 -0.30 0.00 0.02 0.00 0.00 55.97 55.16 3f3r s LYS 82 Cb 0.00 -2.90 -0.04 0.00 -0.52 0.00 0.00 37.83 34.36 3f3r s LYS 82 CO 0.00 0.21 1.50 -2.00 -0.92 0.00 0.00 175.35 174.14 3f3r s GLU 83 N 0.43 4.21 -0.02 1.68 2.12 -1.26 -0.46 118.70 125.41 3f3r s GLU 83 Ca -0.04 2.00 0.16 0.00 0.36 0.00 0.00 54.97 57.45 3f3r s GLU 83 Cb -0.14 -3.85 -0.24 0.00 0.26 0.00 0.00 34.13 30.16 3f3r s GLU 83 CO 0.03 -0.76 0.39 1.33 -0.54 0.00 0.00 175.26 175.71 3f3r n VAL 84 N 5.30 0.00 -3.58 3.70 0.24 0.73 -4.92 118.33 119.80 3f3r n VAL 84 Ca 0.16 -0.33 -0.12 0.00 -2.04 0.00 0.00 64.34 62.00 3f3r n VAL 84 Cb 0.43 0.25 -0.05 0.00 -1.47 0.00 0.00 33.84 33.01 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 -3.02 -1.20 -0.06 2.33 0.00 -1.11 -4.99 121.76 113.71 3f3r s ALA 85 Ca -0.04 0.32 -0.04 0.00 0.00 0.00 0.00 51.96 52.20 3f3r s ALA 85 Cb 0.10 0.57 0.03 0.00 0.00 0.00 0.00 23.12 23.83 3f3r s ALA 85 CO 0.66 -0.59 0.15 0.21 0.00 0.00 0.00 175.76 176.19 3f3r s LYS 86 N -3.15 0.13 -0.14 0.00 2.20 -1.26 -1.54 119.74 115.99 3f3r s LYS 86 Ca -0.01 0.31 -0.01 0.00 -0.36 0.00 0.00 55.97 55.90 3f3r s LYS 86 Cb 0.00 -0.07 0.03 0.00 -1.51 0.00 0.00 37.83 36.29 3f3r s LYS 86 CO -0.07 -0.10 -0.05 0.08 -0.36 0.00 0.00 175.35 174.84 3f3r s VAL 87 N 0.72 0.99 -0.07 4.02 1.01 -0.07 -4.99 120.40 122.02 3f3r s VAL 87 Ca -0.05 -0.43 -0.18 0.00 0.00 0.00 0.00 61.98 61.32 3f3r s VAL 87 Cb -0.07 -1.12 -0.05 0.00 0.00 0.00 0.00 36.38 35.14 3f3r s VAL 87 CO -0.04 0.22 0.49 -0.69 0.00 0.00 0.00 175.10 175.09 3f3r s VAL 88 N 1.70 5.08 0.00 2.92 1.01 -1.26 -0.65 120.40 129.20 3f3r s VAL 88 Ca 0.03 1.01 0.00 0.00 0.00 0.00 0.00 61.98 63.02 3f3r s VAL 88 Cb -0.14 -3.83 0.00 0.00 0.00 0.00 0.00 36.38 32.41 3f3r s VAL 88 CO -0.08 0.40 0.00 0.61 0.00 0.00 0.00 175.10 176.03 3f3r n GLY 89 N 2.77 1.69 3.54 4.51 0.00 -0.34 -4.79 105.19 112.57 3f3r n GLY 89 Ca -0.08 -1.90 -0.43 0.00 0.00 0.00 0.00 46.02 43.61 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 -2.73 3.37 -0.53 4.61 0.00 -1.26 -4.84 121.76 120.38 3f3r s ALA 90 Ca 0.00 -2.89 0.04 0.00 0.00 0.00 0.00 51.96 49.11 3f3r s ALA 90 Cb 0.00 -4.45 0.14 0.00 0.00 0.00 0.00 23.12 18.81 3f3r s ALA 90 CO 0.00 -3.20 0.30 -0.80 0.00 0.00 0.00 175.76 172.05 3f3r s ASN 91 N 3.98 4.16 0.20 0.00 0.01 -1.26 -5.02 114.94 117.01 3f3r s ASN 91 Ca 0.48 -3.08 -0.11 0.00 -0.71 0.00 0.00 52.86 49.45 3f3r s ASN 91 Cb 0.01 -1.46 0.17 0.00 0.41 0.00 0.00 41.25 40.38 3f3r s ASN 91 CO 0.01 -0.21 1.84 -0.65 -1.51 0.00 0.00 177.10 176.57 3f3r h PRO 92 N 6.33 0.76 -0.37 -0.60 0.11 -1.99 -1.33 132.00 134.91 3f3r h PRO 92 Ca -0.01 -0.05 -0.15 0.00 0.11 0.00 0.00 66.00 65.91 3f3r h PRO 92 Cb 0.88 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.81 3f3r h PRO 92 CO 0.64 0.50 -0.34 0.00 -0.21 0.00 0.00 178.00 178.58 3f3r h ALA 93 N 1.29 0.53 -0.46 -0.75 0.00 -1.99 0.10 119.26 117.99 3f3r h ALA 93 Ca 0.27 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3f3r h ALA 93 Cb 0.04 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3f3r h ALA 93 CO -0.11 0.61 0.29 0.00 0.00 0.00 0.00 179.25 180.04 3f3r h ALA 94 N 0.76 0.59 -0.31 0.00 0.00 -1.93 -1.15 119.26 117.23 3f3r h ALA 94 Ca 0.06 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 3f3r h ALA 94 Cb 0.93 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3f3r h ALA 94 CO 0.09 0.06 0.01 0.82 0.00 0.00 0.00 179.25 180.23 3f3r h ILE 95 N 0.62 1.25 -0.60 0.00 2.04 -1.06 -1.62 117.51 118.15 3f3r h ILE 95 Ca 0.17 -0.92 -0.05 0.00 1.00 0.00 0.00 64.86 65.06 3f3r h ILE 95 Cb -0.04 1.24 -0.03 0.00 -0.74 0.00 0.00 36.82 37.26 3f3r h ILE 95 CO -0.03 0.30 0.19 0.50 0.00 0.00 0.00 178.15 179.10 3f3r h LYS 96 N 0.34 0.93 -0.01 2.37 3.64 -0.66 -1.05 116.57 122.13 3f3r h LYS 96 Ca 0.09 -0.20 -0.13 0.00 -1.27 0.00 0.00 60.65 59.13 3f3r h LYS 96 Cb 0.42 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.09 3f3r h LYS 96 CO 0.01 0.83 -0.63 1.96 -2.27 0.00 0.00 179.45 179.35 3f3r h GLN 97 N 0.85 0.03 -0.64 1.90 1.08 -1.19 0.14 115.11 117.28 3f3r h GLN 97 Ca 0.19 -0.02 -0.08 0.00 -1.45 0.00 0.00 58.65 57.29 3f3r h GLN 97 Cb 0.29 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.70 3f3r h GLN 97 CO -0.01 0.65 0.10 0.00 -0.95 0.00 0.00 178.83 178.62 3f3r h ALA 98 N 1.35 0.86 0.06 3.87 0.00 -1.03 -1.57 119.26 122.80 3f3r h ALA 98 Ca -0.01 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 3f3r h ALA 98 Cb 1.12 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3f3r h ALA 98 CO 0.08 0.63 -0.03 0.82 0.00 0.00 0.00 179.25 180.75 3f3r h ILE 99 N 0.99 1.11 -0.32 0.00 2.04 -0.80 -3.12 117.51 117.41 3f3r h ILE 99 Ca 0.19 -0.60 -0.02 0.00 1.00 0.00 0.00 64.86 65.43 3f3r h ILE 99 Cb 0.45 1.51 -0.02 0.00 -0.74 0.00 0.00 36.82 38.02 3f3r h ILE 99 CO 0.01 0.15 0.13 0.00 0.00 0.00 0.00 178.15 178.45 3f3r h ALA 100 N 0.56 1.63 -0.02 1.87 0.00 -0.64 0.78 119.26 123.45 3f3r h ALA 100 Ca -0.01 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 3f3r h ALA 100 Cb 0.31 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3f3r h ALA 100 CO 0.01 0.29 -0.21 0.00 0.00 0.00 0.00 179.25 179.35 3f3r h ALA 101 N 1.70 1.62 0.00 0.00 0.00 -1.27 -3.33 119.26 117.98 3f3r h ALA 101 Ca 0.11 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3f3r h ALA 101 Cb 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3f3r h ALA 101 CO -0.01 0.29 -0.55 0.09 0.00 0.00 0.00 179.25 179.07 3f3r n ASN 102 N -4.28 1.02 0.00 0.00 4.13 -0.45 -5.11 115.26 110.58 3f3r n ASN 102 Ca -0.02 -0.51 0.07 0.00 1.68 0.00 0.00 54.58 55.80 3f3r n ASN 102 Cb 0.28 1.07 0.42 0.00 -1.54 0.00 0.00 39.78 40.01 3f3r n ASN 102 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54