#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pfj n ALA 2 N 0.00 2.02 -1.79 3.04 0.00 -1.26 -5.08 120.51 117.44 1pfj n ALA 2 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 1pfj n ALA 2 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 1pfj n ALA 2 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1pfj s THR 3 N -0.02 4.05 -0.04 0.00 -1.32 -1.26 -4.96 115.64 112.09 1pfj s THR 3 Ca 0.00 1.51 -0.01 0.00 -1.21 0.00 0.00 61.69 61.99 1pfj s THR 3 Cb 0.00 -3.75 -0.26 0.00 -1.51 0.00 0.00 72.50 66.97 1pfj s THR 3 CO 0.00 -0.04 0.68 0.28 -2.21 0.00 0.00 174.62 173.33 1pfj h SER 4 N 2.52 0.32 -0.52 8.08 0.02 -2.09 -3.46 113.55 118.41 1pfj h SER 4 Ca -0.48 -0.55 0.00 0.00 -0.84 0.00 0.00 61.79 59.92 1pfj h SER 4 Cb 1.20 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.64 1pfj h SER 4 CO 0.63 1.47 0.00 -1.20 -1.14 0.00 0.00 176.83 176.59 1pfj n SER 5 N -3.38 -1.04 -4.45 3.07 7.64 -1.26 -5.01 113.62 109.18 1pfj n SER 5 Ca -0.21 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.41 1pfj n SER 5 Cb 1.05 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 64.14 1pfj n SER 5 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1pfj s GLU 6 N -1.57 1.62 0.31 1.43 8.01 -1.26 -5.13 118.70 122.12 1pfj s GLU 6 Ca 0.00 -1.58 0.07 0.00 0.01 0.00 0.00 54.97 53.47 1pfj s GLU 6 Cb 0.00 -1.85 -0.03 0.00 -4.31 0.00 0.00 34.13 27.94 1pfj s GLU 6 CO 0.00 0.38 0.30 -1.21 0.01 0.00 0.00 175.26 174.74 1pfj s GLU 7 N -2.97 2.90 0.17 1.61 2.02 -1.26 -5.06 118.70 116.11 1pfj s GLU 7 Ca 0.24 -1.14 0.01 0.00 0.02 0.00 0.00 54.97 54.10 1pfj s GLU 7 Cb -0.07 -2.59 -0.04 0.00 0.10 0.00 0.00 34.13 31.53 1pfj s GLU 7 CO 0.12 0.19 0.34 0.14 0.02 0.00 0.00 175.26 176.07 1pfj s VAL 8 N -2.21 5.27 -0.23 2.63 -7.23 -1.26 -3.75 120.40 113.61 1pfj s VAL 8 Ca 0.39 -0.52 -0.16 0.00 -1.81 0.00 0.00 61.98 59.88 1pfj s VAL 8 Cb -0.07 -3.74 -0.10 0.00 0.56 0.00 0.00 36.38 33.03 1pfj s VAL 8 CO 0.27 -0.13 -0.32 -0.11 -0.31 0.00 0.00 175.10 174.50 1pfj n LEU 9 N -0.59 1.94 -3.64 1.32 7.94 -0.15 -4.89 117.00 118.94 1pfj n LEU 9 Ca -0.06 0.35 -0.10 0.00 -1.11 0.00 0.00 56.01 55.09 1pfj n LEU 9 Cb 0.54 -0.80 -0.03 0.00 0.53 0.00 0.00 43.42 43.66 1pfj n LEU 9 CO 0.49 0.20 0.34 -0.76 -1.11 0.00 0.00 177.39 176.55 1pfj s LEU 10 N -7.71 -0.19 0.00 -1.96 1.02 -0.96 -4.97 118.68 103.92 1pfj s LEU 10 Ca -0.34 -0.32 -0.00 0.00 0.02 0.00 0.00 54.13 53.49 1pfj s LEU 10 Cb 0.10 2.39 -0.00 0.00 0.02 0.00 0.00 46.19 48.69 1pfj s LEU 10 CO 0.46 -1.06 0.00 -0.51 0.02 0.00 0.00 176.35 175.27 1pfj s ILE 11 N -3.83 0.03 -0.10 -0.59 2.07 -1.26 0.10 121.20 117.63 1pfj s ILE 11 Ca 0.06 -0.27 0.03 0.00 -1.41 0.00 0.00 60.65 59.06 1pfj s ILE 11 Cb -0.02 -0.10 0.01 0.00 0.13 0.00 0.00 42.46 42.48 1pfj s ILE 11 CO -0.06 -0.15 -0.19 0.68 -1.91 0.00 0.00 174.94 173.32 1pfj s VAL 12 N -0.44 1.69 0.00 4.00 -7.23 0.14 -4.95 120.40 113.61 1pfj s VAL 12 Ca -0.05 -0.79 0.00 0.00 -1.81 0.00 0.00 61.98 59.33 1pfj s VAL 12 Cb -0.03 -1.50 0.00 0.00 0.56 0.00 0.00 36.38 35.41 1pfj s VAL 12 CO -0.00 0.48 0.42 2.29 -0.31 0.00 0.00 175.10 177.97 1pfj n LYS 13 N 3.78 0.00 -3.68 4.82 2.85 -1.26 -0.55 118.16 124.12 1pfj n LYS 13 Ca -0.20 0.01 -0.39 0.00 -1.05 0.00 0.00 58.31 56.68 1pfj n LYS 13 Cb 0.52 -0.92 -0.11 0.00 -0.65 0.00 0.00 35.03 33.88 1pfj n LYS 13 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1pfj s LYS 14 N -0.84 2.43 0.35 -1.58 -0.14 -1.26 -1.19 119.74 117.52 1pfj s LYS 14 Ca 0.00 -1.54 0.07 0.00 -1.36 0.00 0.00 55.97 53.15 1pfj s LYS 14 Cb 0.00 -3.67 -0.02 0.00 -1.68 0.00 0.00 37.83 32.46 1pfj s LYS 14 CO 0.00 -0.95 0.32 0.08 -0.76 0.00 0.00 175.35 174.04 1pfj s VAL 15 N 1.33 3.34 -0.04 3.17 1.01 0.40 -4.81 120.40 124.80 1pfj s VAL 15 Ca 0.03 -1.35 0.07 0.00 0.00 0.00 0.00 61.98 60.73 1pfj s VAL 15 Cb -0.23 -3.14 -0.02 0.00 0.00 0.00 0.00 36.38 32.99 1pfj s VAL 15 CO 0.00 -0.13 -0.25 -0.60 0.00 0.00 0.00 175.10 174.12 1pfj s ARG 16 N -4.03 2.35 0.01 2.72 6.06 0.96 -0.76 118.95 126.26 1pfj s ARG 16 Ca 0.43 -0.90 -0.03 0.00 -2.50 0.00 0.00 55.73 52.73 1pfj s ARG 16 Cb -0.05 -2.12 -0.01 0.00 0.06 0.00 0.00 34.95 32.82 1pfj s ARG 16 CO 0.27 0.48 0.04 1.14 -2.50 0.00 0.00 175.30 174.72 1pfj s GLN 17 N -0.40 0.32 0.55 5.12 -2.07 -0.00 0.78 119.66 123.97 1pfj s GLN 17 Ca 0.03 -0.43 0.00 0.00 -1.82 0.00 0.00 55.36 53.14 1pfj s GLN 17 Cb -0.12 0.12 0.00 0.00 -1.09 0.00 0.00 33.01 31.93 1pfj s GLN 17 CO 0.01 -0.06 0.84 1.63 -1.32 0.00 0.00 175.29 176.39 1pfj n LYS 18 N 1.80 0.03 -0.11 9.60 4.01 -1.26 -1.10 118.16 131.13 1pfj n LYS 18 Ca -0.22 0.80 -0.20 0.00 -0.51 0.00 0.00 58.31 58.18 1pfj n LYS 18 Cb 0.56 -2.16 -0.07 0.00 -0.51 0.00 0.00 35.03 32.85 1pfj n LYS 18 CO 0.00 0.00 0.00 0.36 -1.11 0.00 0.00 177.40 176.65 1pfj n LYS 19 N -2.18 0.52 -3.97 1.97 2.85 -1.26 -5.09 118.16 111.00 1pfj n LYS 19 Ca 0.00 0.22 -0.09 0.00 -1.05 0.00 0.00 58.31 57.39 1pfj n LYS 19 Cb 0.84 -1.38 -0.05 0.00 -0.65 0.00 0.00 35.03 33.78 1pfj n LYS 19 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 1pfj s GLN 20 N -2.61 1.48 -0.14 -1.58 -1.52 -0.26 -5.13 119.66 109.91 1pfj s GLN 20 Ca -0.32 -1.21 -0.05 0.00 -1.95 0.00 0.00 55.36 51.83 1pfj s GLN 20 Cb 0.10 0.46 -0.04 0.00 -0.22 0.00 0.00 33.01 33.31 1pfj s GLN 20 CO 0.43 -0.60 0.03 0.16 -0.25 0.00 0.00 175.29 175.05 1pfj s ASP 21 N -3.00 5.39 0.21 5.90 -4.77 -1.26 -0.82 116.67 118.32 1pfj s ASP 21 Ca 0.21 0.09 -0.23 0.00 -3.30 0.00 0.00 52.55 49.33 1pfj s ASP 21 Cb -0.00 -1.77 0.05 0.00 -1.09 0.00 0.00 42.92 40.11 1pfj s ASP 21 CO 0.07 0.26 0.71 -0.83 0.70 0.00 0.00 175.17 176.09 1pfj s GLY 22 N -0.19 -0.30 0.31 2.12 0.00 0.06 -4.71 107.32 104.61 1pfj s GLY 22 Ca 0.06 0.07 -0.21 0.00 0.00 0.00 0.00 44.72 44.64 1pfj s GLY 22 CO 0.02 0.03 0.84 0.00 0.00 0.00 0.00 173.10 173.99 1pfj s ALA 23 N -3.75 3.26 -0.21 3.20 0.00 0.50 -0.45 121.76 124.31 1pfj s ALA 23 Ca 0.07 0.31 -0.05 0.00 0.00 0.00 0.00 51.96 52.29 1pfj s ALA 23 Cb -0.04 -2.99 -0.02 0.00 0.00 0.00 0.00 23.12 20.07 1pfj s ALA 23 CO -0.01 0.24 0.00 -0.51 0.00 0.00 0.00 175.76 175.48 1pfj s LEU 24 N -2.42 3.23 -0.09 0.00 1.43 0.29 0.27 118.68 121.38 1pfj s LEU 24 Ca 0.51 -0.23 -0.01 0.00 -1.03 0.00 0.00 54.13 53.38 1pfj s LEU 24 Cb -0.15 -1.82 -0.03 0.00 0.03 0.00 0.00 46.19 44.22 1pfj s LEU 24 CO 0.20 0.04 -0.06 -0.31 0.23 0.00 0.00 176.35 176.45 1pfj s TYR 25 N 1.12 2.98 -0.06 0.29 1.51 0.32 0.29 117.35 123.79 1pfj s TYR 25 Ca 0.03 -0.07 0.05 0.00 -1.01 0.00 0.00 57.07 56.07 1pfj s TYR 25 Cb -0.14 -1.78 -0.01 0.00 -0.11 0.00 0.00 41.96 39.91 1pfj s TYR 25 CO 0.01 0.23 -0.23 -1.17 -1.11 0.00 0.00 175.55 173.29 1pfj s LEU 26 N -0.48 2.21 0.21 -1.29 2.96 0.29 0.14 118.68 122.72 1pfj s LEU 26 Ca 0.07 -0.45 0.11 0.00 -0.22 0.00 0.00 54.13 53.65 1pfj s LEU 26 Cb -0.12 -1.41 -0.05 0.00 0.50 0.00 0.00 46.19 45.11 1pfj s LEU 26 CO 0.02 0.26 -0.21 -0.32 -1.32 0.00 0.00 176.35 174.78 1pfj s MET 27 N -0.25 1.62 0.19 1.98 -2.45 0.44 -0.97 119.30 119.86 1pfj s MET 27 Ca -0.01 -1.55 -0.18 0.00 -1.25 0.00 0.00 55.69 52.70 1pfj s MET 27 Cb -0.13 -1.86 0.14 0.00 1.25 0.00 0.00 34.83 34.23 1pfj s MET 27 CO 0.03 0.39 1.36 0.00 1.05 0.00 0.00 175.02 177.84 1pfj n ALA 28 N 0.03 -0.22 -0.20 4.11 0.00 -1.25 -1.26 120.51 121.72 1pfj n ALA 28 Ca -0.11 0.84 0.07 0.00 0.00 0.00 0.00 53.44 54.25 1pfj n ALA 28 Cb 0.57 -0.32 0.19 0.00 0.00 0.00 0.00 19.45 19.89 1pfj n ALA 28 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1pfj n GLU 29 N -5.24 2.79 -3.77 0.00 2.13 -1.26 -4.95 120.64 110.33 1pfj n GLU 29 Ca 0.07 -2.18 -0.09 0.00 0.66 0.00 0.00 57.16 55.62 1pfj n GLU 29 Cb 0.32 -1.34 -0.04 0.00 0.27 0.00 0.00 31.44 30.65 1pfj n GLU 29 CO 0.00 0.00 0.00 -0.98 -0.41 0.00 0.00 177.13 175.74 1pfj s ARG 30 N -1.01 1.43 -0.15 5.31 1.70 -0.39 0.21 118.95 126.06 1pfj s ARG 30 Ca 0.29 -0.91 0.00 0.00 -0.47 0.00 0.00 55.73 54.64 1pfj s ARG 30 Cb 0.15 0.52 -0.00 0.00 -0.57 0.00 0.00 34.95 35.05 1pfj s ARG 30 CO 0.20 -0.61 -0.15 0.42 -1.08 0.00 0.00 175.30 174.08 1pfj s ILE 31 N -3.89 2.73 0.14 4.99 -1.09 -0.33 0.17 121.20 123.91 1pfj s ILE 31 Ca 0.11 -0.75 0.06 0.00 -2.23 0.00 0.00 60.65 57.84 1pfj s ILE 31 Cb -0.01 -2.15 -0.04 0.00 -1.58 0.00 0.00 42.46 38.68 1pfj s ILE 31 CO -0.01 0.51 0.00 0.00 -1.23 0.00 0.00 174.94 174.22 1pfj s ALA 32 N 0.76 3.25 0.00 9.38 0.00 0.38 -0.88 121.76 134.65 1pfj s ALA 32 Ca -0.06 -1.25 0.01 0.00 0.00 0.00 0.00 51.96 50.66 1pfj s ALA 32 Cb -0.15 -1.09 -0.01 0.00 0.00 0.00 0.00 23.12 21.87 1pfj s ALA 32 CO 0.01 0.58 -0.05 -0.46 0.00 0.00 0.00 175.76 175.83 1pfj s TRP 33 N -1.54 0.43 -0.18 0.00 -0.00 -0.26 0.12 118.94 117.52 1pfj s TRP 33 Ca 0.27 -0.12 -0.07 0.00 -0.00 0.00 0.00 56.10 56.17 1pfj s TRP 33 Cb -0.10 -0.28 0.07 0.00 -0.00 0.00 0.00 33.47 33.16 1pfj s TRP 33 CO 0.19 -0.02 0.39 0.00 -0.00 0.00 0.00 176.95 177.51 1pfj s ALA 34 N -0.25 -1.01 -0.16 5.86 0.00 0.14 0.47 121.76 126.81 1pfj s ALA 34 Ca 0.00 1.42 -0.15 0.00 0.00 0.00 0.00 51.96 53.23 1pfj s ALA 34 Cb -0.03 -1.12 -0.05 0.00 0.00 0.00 0.00 23.12 21.93 1pfj s ALA 34 CO -0.00 -0.55 -0.29 -0.35 0.00 0.00 0.00 175.76 174.57 1pfj n PRO 35 N 4.95 0.47 -3.24 0.00 -0.05 -1.26 0.19 135.00 136.06 1pfj n PRO 35 Ca -0.14 0.25 -0.06 0.00 -0.05 0.00 0.00 63.50 63.50 1pfj n PRO 35 Cb 0.52 -1.40 -0.03 0.00 -0.05 0.00 0.00 33.50 32.54 1pfj n PRO 35 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 175.50 174.24 1pfj s GLU 36 N -2.63 0.78 0.00 0.54 2.02 -1.26 -4.75 118.70 113.39 1pfj s GLU 36 Ca -0.24 -0.55 0.00 0.00 0.02 0.00 0.00 54.97 54.20 1pfj s GLU 36 Cb 0.03 -0.22 0.00 0.00 0.10 0.00 0.00 34.13 34.05 1pfj s GLU 36 CO 0.36 -1.20 0.00 0.41 0.02 0.00 0.00 175.26 174.84 1pfj n GLY 37 N 4.24 4.73 0.00 -1.39 0.00 -1.26 -5.07 105.19 106.44 1pfj n GLY 37 Ca 0.12 -1.30 0.01 0.00 0.00 0.00 0.00 46.02 44.85 1pfj n GLY 37 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1pfj n LYS 38 N 0.00 0.65 -1.60 1.61 2.85 -1.26 -5.00 118.16 115.41 1pfj n LYS 38 Ca 0.00 -0.02 -0.31 0.00 -1.05 0.00 0.00 58.31 56.93 1pfj n LYS 38 Cb 0.00 -1.06 0.05 0.00 -0.65 0.00 0.00 35.03 33.37 1pfj n LYS 38 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1pfj s ASP 39 N -2.45 5.31 0.52 -5.58 1.11 -1.26 -4.81 116.67 109.51 1pfj s ASP 39 Ca -0.01 1.69 0.42 0.00 0.18 0.00 0.00 52.55 54.83 1pfj s ASP 39 Cb 0.01 -2.51 1.61 0.00 1.07 0.00 0.00 42.92 43.11 1pfj s ASP 39 CO 0.10 -1.49 1.63 0.03 1.18 0.00 0.00 175.17 176.62 1pfj h ARG 40 N -0.58 0.03 0.00 8.23 3.08 -1.99 -3.42 114.38 119.73 1pfj h ARG 40 Ca -0.44 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.61 1pfj h ARG 40 Cb 1.22 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.26 1pfj h ARG 40 CO 0.56 0.02 0.00 1.19 -1.07 0.00 0.00 179.97 180.67 1pfj n PHE 41 N -4.21 -0.51 -0.09 3.04 3.72 -1.26 -4.86 117.46 113.30 1pfj n PHE 41 Ca 0.39 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.68 1pfj n PHE 41 Cb 1.70 0.00 -0.12 0.00 -0.94 0.00 0.00 39.48 40.12 1pfj n PHE 41 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34 1pfj n THR 42 N 0.00 1.20 -4.05 4.37 5.66 1.68 -4.78 114.28 118.36 1pfj n THR 42 Ca 0.00 -0.64 -0.10 0.00 -3.05 0.00 0.00 64.05 60.26 1pfj n THR 42 Cb 0.00 -0.79 -0.07 0.00 -1.55 0.00 0.00 70.33 67.92 1pfj n THR 42 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 175.07 172.29 1pfj s ILE 43 N -2.42 0.03 -0.27 1.09 -0.00 -0.52 -4.92 121.20 114.18 1pfj s ILE 43 Ca -0.16 -1.59 -0.09 0.00 -0.00 0.00 0.00 60.65 58.82 1pfj s ILE 43 Cb 0.06 -2.16 0.12 0.00 -0.00 0.00 0.00 42.46 40.48 1pfj s ILE 43 CO 0.64 -0.12 0.57 -0.94 -0.00 0.00 0.00 174.94 175.09 1pfj s SER 44 N -3.04 -0.86 -0.18 4.36 1.04 -1.25 -1.10 113.70 112.67 1pfj s SER 44 Ca 0.25 1.36 -0.01 0.00 0.48 0.00 0.00 55.95 58.03 1pfj s SER 44 Cb 0.03 1.99 -0.00 0.00 0.10 0.00 0.00 66.02 68.14 1pfj s SER 44 CO 0.07 -0.23 -0.11 -1.00 0.98 0.00 0.00 173.24 172.95 1pfj s HIS 45 N 2.81 2.86 -0.34 5.02 0.09 -0.06 -4.87 115.29 120.80 1pfj s HIS 45 Ca -0.04 -1.01 -0.28 0.00 -0.00 0.00 0.00 55.06 53.74 1pfj s HIS 45 Cb -0.12 -1.97 -0.02 0.00 -0.00 0.00 0.00 32.58 30.46 1pfj s HIS 45 CO -0.17 -0.50 1.85 -1.64 -0.00 0.00 0.00 174.74 174.29 1pfj s MET 46 N 1.06 3.26 0.34 1.40 -1.94 -1.26 -1.18 119.30 120.97 1pfj s MET 46 Ca -0.00 1.45 0.12 0.00 -1.71 0.00 0.00 55.69 55.54 1pfj s MET 46 Cb -0.15 -4.23 1.06 0.00 2.01 0.00 0.00 34.83 33.52 1pfj s MET 46 CO -0.02 -1.95 1.59 1.88 -0.01 0.00 0.00 175.02 176.50 1pfj h TYR 47 N 13.32 0.46 -0.21 -0.03 0.05 0.22 1.80 116.97 132.58 1pfj h TYR 47 Ca -0.34 0.05 -0.04 0.00 0.05 0.00 0.00 58.73 58.45 1pfj h TYR 47 Cb 1.18 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 38.88 1pfj h TYR 47 CO 0.96 -0.43 -0.04 0.00 -1.05 0.00 0.00 178.16 177.60 1pfj h ALA 48 N 1.97 0.28 -1.44 3.88 0.00 -1.88 -1.42 119.26 120.66 1pfj h ALA 48 Ca 0.73 -0.25 0.42 0.00 0.00 0.00 0.00 54.91 55.81 1pfj h ALA 48 Cb 1.74 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 19.40 1pfj h ALA 48 CO -0.82 0.06 1.05 -0.44 0.00 0.00 0.00 179.25 179.11 1pfj h ASP 49 N 0.12 0.00 -2.14 0.00 5.19 0.23 -3.38 116.42 116.45 1pfj h ASP 49 Ca 0.05 0.00 -0.56 0.00 -0.62 0.00 0.00 57.03 55.91 1pfj h ASP 49 Cb 0.49 0.00 -0.09 0.00 0.18 0.00 0.00 39.33 39.90 1pfj h ASP 49 CO 0.02 0.00 -0.63 0.27 -3.12 0.00 0.00 179.24 175.78 1pfj s ILE 50 N -4.90 3.36 -0.27 0.35 -5.25 -0.03 -3.74 121.20 110.72 1pfj s ILE 50 Ca -0.05 -1.88 -0.01 0.00 -0.99 0.00 0.00 60.65 57.71 1pfj s ILE 50 Cb 0.24 -2.87 0.13 0.00 2.95 0.00 0.00 42.46 42.91 1pfj s ILE 50 CO 0.82 -0.34 0.29 -0.75 -1.79 0.00 0.00 174.94 173.18 1pfj s LYS 51 N -3.70 0.30 0.00 0.37 2.36 0.52 -4.70 119.74 114.89 1pfj s LYS 51 Ca 0.32 -0.01 0.00 0.00 -2.55 0.00 0.00 55.97 53.74 1pfj s LYS 51 Cb -0.06 -0.73 0.00 0.00 -1.05 0.00 0.00 37.83 35.99 1pfj s LYS 51 CO 0.20 -0.92 0.00 0.00 1.55 0.00 0.00 175.35 176.18 1pfj s GLN 53 N 0.00 0.08 -0.19 0.00 1.11 -1.26 -1.65 119.66 117.75 1pfj s GLN 53 Ca 0.00 0.43 -0.04 0.00 0.01 0.00 0.00 55.36 55.76 1pfj s GLN 53 Cb 0.00 -0.21 0.09 0.00 -1.01 0.00 0.00 33.01 31.89 1pfj s GLN 53 CO 0.00 -0.21 0.28 0.21 0.01 0.00 0.00 175.29 175.58 1pfj s LYS 54 N 1.49 0.22 -0.27 2.91 2.20 0.68 -4.99 119.74 121.98 1pfj s LYS 54 Ca -0.06 0.49 -0.03 0.00 -0.36 0.00 0.00 55.97 56.02 1pfj s LYS 54 Cb -0.12 -0.59 0.11 0.00 -1.51 0.00 0.00 37.83 35.72 1pfj s LYS 54 CO -0.06 -0.51 0.18 0.96 -0.36 0.00 0.00 175.35 175.56 1pfj s ILE 55 N 2.42 -0.20 -0.17 5.43 -5.25 -1.26 -0.66 121.20 121.51 1pfj s ILE 55 Ca 0.06 -0.56 0.15 0.00 -0.99 0.00 0.00 60.65 59.31 1pfj s ILE 55 Cb -0.14 -0.91 0.36 0.00 2.95 0.00 0.00 42.46 44.71 1pfj s ILE 55 CO -0.12 -0.56 1.19 -0.24 -1.79 0.00 0.00 174.94 173.42 1pfj n SER 56 N 5.28 1.94 0.00 4.36 2.88 -1.26 -4.74 113.62 122.08 1pfj n SER 56 Ca -0.05 -3.49 0.03 0.00 -1.33 0.00 0.00 58.87 54.03 1pfj n SER 56 Cb 0.45 -0.48 0.17 0.00 -0.75 0.00 0.00 64.21 63.60 1pfj n SER 56 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1pfj n PRO 57 N -1.21 0.12 0.13 -1.46 -0.04 -1.26 -1.66 135.00 129.62 1pfj n PRO 57 Ca 0.17 0.16 0.09 0.00 -0.04 0.00 0.00 63.50 63.89 1pfj n PRO 57 Cb 0.68 -1.50 0.48 0.00 -0.04 0.00 0.00 33.50 33.12 1pfj n PRO 57 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1pfj n GLU 58 N -1.20 0.13 -0.65 0.54 4.07 -1.26 -2.26 120.64 119.99 1pfj n GLU 58 Ca 0.04 0.57 0.00 0.00 -0.06 0.00 0.00 57.16 57.70 1pfj n GLU 58 Cb 0.04 -1.86 0.00 0.00 -0.06 0.00 0.00 31.44 29.56 1pfj n GLU 58 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1pfj n GLY 59 N -1.04 0.65 0.34 8.31 0.00 -0.67 -5.12 105.19 107.67 1pfj n GLY 59 Ca -0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 46.02 45.88 1pfj n GLY 59 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1pfj n LYS 60 N 0.07 1.14 -0.03 1.61 4.76 -0.96 -5.01 118.16 119.74 1pfj n LYS 60 Ca -0.00 -0.28 -0.01 0.00 -2.87 0.00 0.00 58.31 55.15 1pfj n LYS 60 Cb 0.73 -0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.91 1pfj n LYS 60 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1pfj n ALA 61 N -2.93 -0.05 -1.76 7.82 0.00 -1.26 -4.55 120.51 117.78 1pfj n ALA 61 Ca -0.01 0.06 -0.04 0.00 0.00 0.00 0.00 53.44 53.45 1pfj n ALA 61 Cb 0.05 0.40 -0.04 0.00 0.00 0.00 0.00 19.45 19.87 1pfj n ALA 61 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1pfj n LYS 62 N -3.08 0.00 0.00 0.00 0.00 -1.26 -5.08 118.16 108.74 1pfj n LYS 62 Ca 0.00 -0.53 0.00 0.00 -0.00 0.00 0.00 58.31 57.78 1pfj n LYS 62 Cb 0.02 0.49 0.00 0.00 -0.00 0.00 0.00 35.03 35.54 1pfj n LYS 62 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.40 178.91 1pfj n ILE 63 N 0.00 0.00 -4.43 0.58 0.13 -1.26 -4.39 119.36 109.99 1pfj n ILE 63 Ca -0.15 0.00 -0.19 0.00 -1.10 0.00 0.00 62.75 61.31 1pfj n ILE 63 Cb 0.49 0.00 -0.15 0.00 -0.84 0.00 0.00 39.64 39.14 1pfj n ILE 63 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1pfj s GLN 64 N -0.31 0.83 0.21 9.51 -2.07 -1.26 -1.32 119.66 125.25 1pfj s GLN 64 Ca 0.00 -0.38 0.05 0.00 -1.82 0.00 0.00 55.36 53.22 1pfj s GLN 64 Cb 0.00 -0.80 -0.05 0.00 -1.09 0.00 0.00 33.01 31.07 1pfj s GLN 64 CO 0.00 0.22 -0.07 -0.48 -1.32 0.00 0.00 175.29 173.63 1pfj s LEU 65 N -0.27 2.43 -0.08 2.60 -0.00 0.77 -4.12 118.68 120.02 1pfj s LEU 65 Ca 0.04 -1.11 -0.03 0.00 -0.00 0.00 0.00 54.13 53.03 1pfj s LEU 65 Cb -0.04 -0.45 0.04 0.00 -0.00 0.00 0.00 46.19 45.75 1pfj s LEU 65 CO -0.00 -0.35 0.14 -1.10 -0.00 0.00 0.00 176.35 175.04 1pfj s GLN 66 N -3.76 0.01 0.11 1.48 -0.21 0.17 -1.78 119.66 115.68 1pfj s GLN 66 Ca 0.24 0.53 0.07 0.00 0.02 0.00 0.00 55.36 56.21 1pfj s GLN 66 Cb 0.03 -0.31 -0.04 0.00 1.00 0.00 0.00 33.01 33.69 1pfj s GLN 66 CO 0.06 -0.31 -0.17 -1.17 -2.12 0.00 0.00 175.29 171.59 1pfj s LEU 67 N 2.24 2.34 0.13 2.90 2.96 0.02 -0.23 118.68 129.05 1pfj s LEU 67 Ca 0.03 -0.73 0.05 0.00 -0.22 0.00 0.00 54.13 53.26 1pfj s LEU 67 Cb -0.12 -0.69 -0.04 0.00 0.50 0.00 0.00 46.19 45.84 1pfj s LEU 67 CO -0.05 -0.05 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.13 1pfj s VAL 68 N -1.60 1.16 0.13 1.68 1.01 -0.66 0.29 120.40 122.42 1pfj s VAL 68 Ca 0.06 -1.84 -0.13 0.00 0.00 0.00 0.00 61.98 60.07 1pfj s VAL 68 Cb -0.08 -1.61 -0.07 0.00 0.00 0.00 0.00 36.38 34.62 1pfj s VAL 68 CO 0.04 -0.60 0.51 -0.76 0.00 0.00 0.00 175.10 174.29 1pfj s LEU 69 N -2.75 4.34 0.50 3.92 1.43 0.32 0.20 118.68 126.63 1pfj s LEU 69 Ca 0.11 0.99 0.35 0.00 -1.03 0.00 0.00 54.13 54.55 1pfj s LEU 69 Cb -0.01 -3.19 1.49 0.00 0.03 0.00 0.00 46.19 44.50 1pfj s LEU 69 CO 0.01 0.12 1.71 0.45 0.23 0.00 0.00 176.35 178.87 1pfj h HIS 70 N 3.58 0.23 -0.29 0.29 3.86 -1.81 -3.36 115.15 117.65 1pfj h HIS 70 Ca -0.49 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 58.73 1pfj h HIS 70 Cb 1.19 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 29.60 1pfj h HIS 70 CO 0.65 -0.03 0.00 0.00 0.86 0.00 0.00 177.93 179.41 1pfj n ALA 71 N -2.70 0.00 -2.23 2.45 0.00 -1.26 -4.92 120.51 111.85 1pfj n ALA 71 Ca 0.32 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.42 1pfj n ALA 71 Cb 1.38 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.85 1pfj n ALA 71 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pfj n GLY 72 N 3.73 5.77 3.00 0.00 0.00 -1.26 -4.94 105.19 111.49 1pfj n GLY 72 Ca 0.00 -2.63 -0.25 0.00 0.00 0.00 0.00 46.02 43.14 1pfj n GLY 72 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pfj s ASP 73 N -2.31 1.89 0.26 1.61 1.01 -1.26 -4.99 116.67 112.89 1pfj s ASP 73 Ca 0.50 -0.31 0.08 0.00 0.71 0.00 0.00 52.55 53.53 1pfj s ASP 73 Cb 0.41 -0.85 -0.04 0.00 1.01 0.00 0.00 42.92 43.45 1pfj s ASP 73 CO -0.30 0.00 0.12 -0.89 0.21 0.00 0.00 175.17 174.32 1pfj s THR 74 N 0.88 4.01 -0.23 -1.27 2.01 -1.26 0.12 115.64 119.91 1pfj s THR 74 Ca -0.10 -1.60 0.01 0.00 0.31 0.00 0.00 61.69 60.30 1pfj s THR 74 Cb -0.15 -3.18 0.03 0.00 0.01 0.00 0.00 72.50 69.21 1pfj s THR 74 CO 0.01 -0.35 -0.13 -0.89 -0.69 0.00 0.00 174.62 172.57 1pfj s THR 75 N -2.22 2.35 -0.19 -0.82 2.01 0.85 -4.92 115.64 112.70 1pfj s THR 75 Ca 0.33 -1.18 -0.01 0.00 0.31 0.00 0.00 61.69 61.13 1pfj s THR 75 Cb -0.07 -2.18 0.00 0.00 0.01 0.00 0.00 72.50 70.26 1pfj s THR 75 CO 0.23 0.26 -0.12 0.20 -0.69 0.00 0.00 174.62 174.50 1pfj s ASN 76 N 1.24 3.82 0.03 3.53 0.01 -1.26 -0.80 114.94 121.51 1pfj s ASN 76 Ca -0.01 -0.47 0.05 0.00 -0.71 0.00 0.00 52.86 51.72 1pfj s ASN 76 Cb -0.16 -1.62 -0.02 0.00 0.41 0.00 0.00 41.25 39.86 1pfj s ASN 76 CO -0.08 0.03 -0.14 -0.36 -1.51 0.00 0.00 177.10 175.03 1pfj s PHE 77 N 1.18 1.26 -0.09 2.20 0.08 -0.74 -4.29 117.98 117.58 1pfj s PHE 77 Ca 0.02 -0.33 -0.12 0.00 0.12 0.00 0.00 56.93 56.62 1pfj s PHE 77 Cb -0.14 -0.76 0.03 0.00 -0.57 0.00 0.00 43.02 41.57 1pfj s PHE 77 CO -0.04 0.03 0.31 -1.58 -0.10 0.00 0.00 175.22 173.83 1pfj s HIS 78 N -0.74 -0.29 -0.01 0.36 5.65 0.23 -0.16 115.29 120.33 1pfj s HIS 78 Ca 0.03 0.66 0.07 0.00 0.25 0.00 0.00 55.06 56.07 1pfj s HIS 78 Cb -0.07 0.11 -0.03 0.00 -1.18 0.00 0.00 32.58 31.41 1pfj s HIS 78 CO 0.01 -0.23 -0.21 -0.06 -0.65 0.00 0.00 174.74 173.59 1pfj s PHE 79 N -0.28 2.47 0.10 3.88 0.40 -0.43 0.32 117.98 124.44 1pfj s PHE 79 Ca -0.04 -0.33 0.00 0.00 -0.60 0.00 0.00 56.93 55.96 1pfj s PHE 79 Cb -0.03 -1.51 0.00 0.00 0.51 0.00 0.00 43.02 41.99 1pfj s PHE 79 CO 0.01 0.10 0.00 0.45 0.70 0.00 0.00 175.22 176.49 1pfj n SER 80 N 2.13 0.30 -2.07 1.36 2.88 -1.26 -4.34 113.62 112.62 1pfj n SER 80 Ca -0.16 0.16 -0.12 0.00 -1.33 0.00 0.00 58.87 57.42 1pfj n SER 80 Cb 0.52 -0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.87 1pfj n SER 80 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1pfj n ASN 81 N -3.17 -0.52 -0.25 -3.46 3.02 -1.26 -4.09 115.26 105.53 1pfj n ASN 81 Ca 0.00 -0.19 0.19 0.00 -0.03 0.00 0.00 54.58 54.55 1pfj n ASN 81 Cb 0.13 -0.28 0.36 0.00 -0.61 0.00 0.00 39.78 39.38 1pfj n ASN 81 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1pfj n GLU 82 N 2.80 -0.05 -0.16 3.52 0.00 -1.26 0.39 120.64 125.88 1pfj n GLU 82 Ca 0.31 1.09 -0.06 0.00 0.00 0.00 0.00 57.16 58.50 1pfj n GLU 82 Cb 0.05 -1.86 0.11 0.00 0.00 0.00 0.00 31.44 29.74 1pfj n GLU 82 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 1pfj h SER 83 N 0.00 0.89 0.00 4.31 0.87 -2.04 -3.36 113.55 114.22 1pfj h SER 83 Ca 0.57 -0.23 -0.29 0.00 -1.23 0.00 0.00 61.79 60.61 1pfj h SER 83 Cb 1.40 -0.24 -0.05 0.00 -0.44 0.00 0.00 62.40 63.07 1pfj h SER 83 CO -0.64 0.94 -2.06 0.35 -0.53 0.00 0.00 176.83 174.88 1pfj n THR 84 N -4.20 1.06 -2.98 2.23 -2.24 0.81 -4.80 114.28 104.16 1pfj n THR 84 Ca 0.03 -0.36 -0.44 0.00 -2.27 0.00 0.00 64.05 61.01 1pfj n THR 84 Cb 0.31 -1.35 0.00 0.00 -2.10 0.00 0.00 70.33 67.19 1pfj n THR 84 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pfj n ALA 85 N -3.31 3.96 -2.00 6.98 0.00 1.25 -4.36 120.51 123.03 1pfj n ALA 85 Ca -0.35 -4.30 0.00 0.00 0.00 0.00 0.00 53.44 48.79 1pfj n ALA 85 Cb 0.82 -2.98 0.00 0.00 0.00 0.00 0.00 19.45 17.29 1pfj n ALA 85 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1pfj n VAL 86 N 4.33 0.00 0.13 0.00 0.24 -1.26 -4.26 118.33 117.51 1pfj n VAL 86 Ca 0.35 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.57 1pfj n VAL 86 Cb 0.42 0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.74 1pfj n VAL 86 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 1pfj h LYS 87 N 0.00 -0.45 -0.23 7.34 3.64 -1.90 0.53 116.57 125.50 1pfj h LYS 87 Ca 0.00 0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.43 1pfj h LYS 87 Cb 0.00 0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.90 1pfj h LYS 87 CO 0.00 -0.30 -0.13 -0.85 -2.27 0.00 0.00 179.45 175.89 1pfj n GLU 88 N -3.88 -0.10 0.21 1.90 -0.00 -1.26 0.48 120.64 117.99 1pfj n GLU 88 Ca -0.06 0.89 0.11 0.00 -0.00 0.00 0.00 57.16 58.10 1pfj n GLU 88 Cb 0.22 -1.33 0.66 0.00 -0.00 0.00 0.00 31.44 30.99 1pfj n GLU 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1pfj h ARG 89 N 0.00 0.00 0.00 3.44 2.47 -1.75 2.47 114.38 121.01 1pfj h ARG 89 Ca 0.04 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.76 1pfj h ARG 89 Cb 0.09 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.41 1pfj h ARG 89 CO -0.21 0.00 0.00 0.22 0.56 0.00 0.00 179.97 180.54 1pfj h ASP 90 N 0.00 0.00 0.60 7.04 1.82 1.64 1.19 116.42 128.71 1pfj h ASP 90 Ca 0.05 0.00 -0.27 0.00 -0.39 0.00 0.00 57.03 56.41 1pfj h ASP 90 Cb 0.19 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 40.16 1pfj h ASP 90 CO -0.00 0.00 -1.54 0.00 -1.61 0.00 0.00 179.24 176.09 1pfj h ALA 91 N 2.03 0.66 -0.02 -0.78 0.00 1.25 -1.04 119.26 121.37 1pfj h ALA 91 Ca 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 54.91 53.58 1pfj h ALA 91 Cb 0.07 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1pfj h ALA 91 CO 0.00 1.50 0.00 0.28 0.00 0.00 0.00 179.25 181.03 1pfj n VAL 92 N -3.13 0.00 -0.36 0.00 0.31 0.39 -0.77 118.33 114.78 1pfj n VAL 92 Ca -0.13 1.50 0.26 0.00 -0.01 0.00 0.00 64.34 65.96 1pfj n VAL 92 Cb 1.03 -2.47 0.54 0.00 -0.91 0.00 0.00 33.84 32.02 1pfj n VAL 92 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1pfj h LYS 93 N 0.00 0.30 -0.72 5.55 3.64 -1.15 2.49 116.57 126.68 1pfj h LYS 93 Ca 0.00 -0.02 0.20 0.00 -1.27 0.00 0.00 60.65 59.56 1pfj h LYS 93 Cb 0.00 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.72 1pfj h LYS 93 CO 0.00 0.20 0.51 0.22 -2.27 0.00 0.00 179.45 178.11 1pfj h ASP 94 N 0.31 0.05 0.07 4.20 1.82 0.26 -1.33 116.42 121.79 1pfj h ASP 94 Ca 0.68 0.00 -0.35 0.00 -0.39 0.00 0.00 57.03 56.97 1pfj h ASP 94 Cb 1.80 -0.01 -0.03 0.00 0.68 0.00 0.00 39.33 41.77 1pfj h ASP 94 CO -0.38 0.02 -1.99 0.18 -1.61 0.00 0.00 179.24 175.47 1pfj n LEU 95 N -4.35 2.49 -0.05 2.28 7.99 0.81 -4.19 117.00 121.99 1pfj n LEU 95 Ca 0.14 0.20 -0.02 0.00 -0.01 0.00 0.00 56.01 56.32 1pfj n LEU 95 Cb 0.76 -1.03 -0.02 0.00 -0.11 0.00 0.00 43.42 43.02 1pfj n LEU 95 CO 0.37 0.73 0.50 -0.07 -1.51 0.00 0.00 177.39 177.41 1pfj h LEU 96 N -0.25 -0.38 0.00 2.23 3.38 0.43 0.94 115.31 121.66 1pfj h LEU 96 Ca -0.46 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1pfj h LEU 96 Cb 1.83 0.16 0.00 0.00 0.09 0.00 0.00 40.66 42.74 1pfj h LEU 96 CO -0.05 -0.06 0.00 0.00 0.09 0.00 0.00 178.44 178.42 1pfj n GLN 97 N -3.32 0.07 -0.00 1.13 -0.00 -0.94 -1.35 117.38 112.97 1pfj n GLN 97 Ca -0.00 0.05 -0.21 0.00 -0.00 0.00 0.00 57.00 56.84 1pfj n GLN 97 Cb 0.06 -1.50 -0.14 0.00 -0.00 0.00 0.00 30.24 28.66 1pfj n GLN 97 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.06 178.00 1pfj n GLN 98 N -1.05 0.75 0.09 2.61 7.27 0.32 -3.96 117.38 123.41 1pfj n GLN 98 Ca 0.02 0.25 -0.01 0.00 0.07 0.00 0.00 57.00 57.33 1pfj n GLN 98 Cb 0.01 -1.70 -0.04 0.00 2.41 0.00 0.00 30.24 30.92 1pfj n GLN 98 CO 0.00 0.00 0.00 -0.07 0.07 0.00 0.00 177.06 177.06 1pfj h LEU 99 N 0.07 0.00 -1.29 1.69 4.07 -0.01 -3.25 115.31 116.59 1pfj h LEU 99 Ca -0.43 0.00 0.09 0.00 0.08 0.00 0.00 57.88 57.62 1pfj h LEU 99 Cb 2.03 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 43.71 1pfj h LEU 99 CO 0.08 0.66 0.54 -0.07 -1.08 0.00 0.00 178.44 178.56 1pfj h LEU 100 N 0.00 0.73 0.00 1.67 3.38 -1.39 0.88 115.31 120.57 1pfj h LEU 100 Ca -0.05 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1pfj h LEU 100 Cb 1.55 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.16 1pfj h LEU 100 CO 0.08 0.44 0.00 -2.65 0.09 0.00 0.00 178.44 176.40 1pfj n PRO 101 N -4.51 0.29 0.02 1.13 -0.02 -1.22 -0.81 135.00 129.88 1pfj n PRO 101 Ca 0.13 0.10 -0.07 0.00 -2.02 0.00 0.00 63.50 61.65 1pfj n PRO 101 Cb 0.29 -1.50 -0.13 0.00 -0.02 0.00 0.00 33.50 32.15 1pfj n PRO 101 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1pfj h LYS 102 N 0.00 0.00 0.00 -0.52 3.64 0.65 -3.37 116.57 116.96 1pfj h LYS 102 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1pfj h LYS 102 Cb 0.10 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1pfj h LYS 102 CO 0.00 0.68 0.00 1.97 -2.27 0.00 0.00 179.45 179.83 1pfj n PHE 103 N -3.16 0.00 -1.30 1.91 1.16 -1.02 -5.04 117.46 110.00 1pfj n PHE 103 Ca -0.09 -0.06 -0.27 0.00 -1.87 0.00 0.00 57.45 55.16 1pfj n PHE 103 Cb 0.99 -0.01 0.21 0.00 -1.61 0.00 0.00 39.48 39.07 1pfj n PHE 103 CO 0.00 0.00 0.00 1.63 -1.87 0.00 0.00 176.76 176.52 1pfj n LYS 104 N -0.06 -2.31 -2.83 3.97 5.02 0.01 -4.89 118.16 117.07 1pfj n LYS 104 Ca 0.00 -1.69 -0.44 0.00 -2.02 0.00 0.00 58.31 54.16 1pfj n LYS 104 Cb 0.06 -1.40 0.00 0.00 -0.02 0.00 0.00 35.03 33.67 1pfj n LYS 104 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1pfj n ARG 105 N -4.19 3.38 -3.11 1.97 0.63 -1.26 -4.95 116.66 109.12 1pfj n ARG 105 Ca 0.14 -3.74 -0.43 0.00 -0.92 0.00 0.00 57.85 52.90 1pfj n ARG 105 Cb 0.53 -3.08 -0.07 0.00 0.45 0.00 0.00 32.46 30.30 1pfj n ARG 105 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 1pfj s LYS 106 N 1.71 3.36 -0.79 -0.14 -0.14 -1.26 -4.93 119.74 117.54 1pfj s LYS 106 Ca 0.44 -0.29 -0.01 0.00 -1.36 0.00 0.00 55.97 54.74 1pfj s LYS 106 Cb -0.01 -3.92 0.36 0.00 -1.68 0.00 0.00 37.83 32.58 1pfj s LYS 106 CO 0.01 -0.96 1.92 0.00 -0.76 0.00 0.00 175.35 175.56 1pfj n ALA 107 N 6.22 6.34 0.44 5.17 0.00 -1.26 -5.19 120.51 132.23 1pfj n ALA 107 Ca -0.02 -4.13 0.05 0.00 0.00 0.00 0.00 53.44 49.35 1pfj n ALA 107 Cb 0.48 -1.81 0.04 0.00 0.00 0.00 0.00 19.45 18.16 1pfj n ALA 107 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79