#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 -0.44 -0.03 -5.12 0.00 -1.26 -5.02 120.51 108.64 1pfj n ALA 2 Ca 0.00 -1.87 -0.02 0.00 0.00 0.00 0.00 53.44 51.55 1pfj n ALA 2 Cb 0.00 -1.22 -0.01 0.00 0.00 0.00 0.00 19.45 18.23 1pfj n ALA 2 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1pfj n THR 3 N 1.80 0.57 -2.78 0.00 -2.24 -1.26 -5.01 114.28 105.36 1pfj n THR 3 Ca 0.14 0.38 0.00 0.00 -2.27 0.00 0.00 64.05 62.30 1pfj n THR 3 Cb 0.59 -1.86 0.00 0.00 -2.10 0.00 0.00 70.33 66.97 1pfj n THR 3 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1pfj n SER 4 N -3.21 0.00 -1.69 3.42 2.88 -1.26 -5.12 113.62 108.64 1pfj n SER 4 Ca -0.03 -0.81 0.00 0.00 -1.33 0.00 0.00 58.87 56.70 1pfj n SER 4 Cb 0.12 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.58 1pfj n SER 4 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1pfj n SER 5 N -2.42 0.00 -4.72 -3.46 7.64 -1.26 -5.03 113.62 104.36 1pfj n SER 5 Ca 0.00 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.58 1pfj n SER 5 Cb 0.00 0.00 0.13 0.00 -1.01 0.00 0.00 64.21 63.33 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 1.54 -0.23 1.43 8.01 -1.26 -5.02 118.70 124.74 1pfj s GLU 6 Ca 0.00 1.08 0.02 0.00 0.01 0.00 0.00 54.97 56.08 1pfj s GLU 6 Cb 0.00 -1.82 0.05 0.00 -4.31 0.00 0.00 34.13 28.04 1pfj s GLU 6 CO 0.00 -2.12 -0.14 -1.21 0.01 0.00 0.00 175.26 171.81 1pfj s GLU 7 N -4.86 2.51 0.17 1.61 0.41 -1.26 -5.11 118.70 112.17 1pfj s GLU 7 Ca 0.63 -1.17 0.01 0.00 -0.41 0.00 0.00 54.97 54.03 1pfj s GLU 7 Cb -0.19 -2.79 -0.04 0.00 -1.78 0.00 0.00 34.13 29.34 1pfj s GLU 7 CO 0.57 -0.45 0.33 0.14 -0.49 0.00 0.00 175.26 175.36 1pfj s VAL 8 N 1.17 5.27 -0.27 2.63 -7.23 -1.26 -3.11 120.40 117.60 1pfj s VAL 8 Ca -0.04 -0.54 -0.15 0.00 -1.81 0.00 0.00 61.98 59.44 1pfj s VAL 8 Cb -0.18 -3.74 -0.13 0.00 0.56 0.00 0.00 36.38 32.90 1pfj s VAL 8 CO -0.08 -0.12 -0.30 -0.11 -0.31 0.00 0.00 175.10 174.18 1pfj n LEU 9 N -0.58 1.95 -3.81 1.32 7.94 -1.02 -4.82 117.00 117.97 1pfj n LEU 9 Ca -0.06 0.35 -0.08 0.00 -1.11 0.00 0.00 56.01 55.11 1pfj n LEU 9 Cb 0.54 -0.83 -0.03 0.00 0.53 0.00 0.00 43.42 43.63 1pfj n LEU 9 CO 0.49 0.53 0.40 -0.22 -1.11 0.00 0.00 177.39 177.47 1pfj s LEU 10 N -7.56 -0.18 -0.02 -1.96 2.96 -0.91 -5.03 118.68 105.98 1pfj s LEU 10 Ca -0.38 -0.56 0.02 0.00 -0.22 0.00 0.00 54.13 52.99 1pfj s LEU 10 Cb 0.14 2.52 0.00 0.00 0.50 0.00 0.00 46.19 49.35 1pfj s LEU 10 CO 0.50 -1.24 -0.07 -0.51 -1.32 0.00 0.00 176.35 173.71 1pfj s ILE 11 N -3.91 0.57 -0.38 6.68 -1.16 -1.26 -0.20 121.20 121.54 1pfj s ILE 11 Ca 0.11 -0.26 0.03 0.00 -0.51 0.00 0.00 60.65 60.02 1pfj s ILE 11 Cb -0.04 -0.51 0.11 0.00 0.61 0.00 0.00 42.46 42.63 1pfj s ILE 11 CO 0.04 0.18 0.12 0.68 -2.81 0.00 0.00 174.94 173.16 1pfj s VAL 12 N 0.16 1.92 0.50 4.00 -7.23 0.51 -4.92 120.40 115.33 1pfj s VAL 12 Ca -0.02 -2.35 0.35 0.00 -1.81 0.00 0.00 61.98 58.15 1pfj s VAL 12 Cb -0.06 -2.39 0.35 0.00 0.56 0.00 0.00 36.38 34.83 1pfj s VAL 12 CO -0.00 -0.69 2.05 0.07 -0.31 0.00 0.00 175.10 176.22 1pfj h LYS 13 N 7.39 0.00 -4.90 4.82 2.10 -1.91 0.78 116.57 124.84 1pfj h LYS 13 Ca -0.07 0.00 -0.67 0.00 -2.00 0.00 0.00 60.65 57.91 1pfj h LYS 13 Cb 0.98 0.00 -0.31 0.00 -0.90 0.00 0.00 32.23 32.00 1pfj h LYS 13 CO 0.54 0.00 -0.74 0.21 -2.00 0.00 0.00 179.45 177.46 1pfj s LYS 14 N -3.99 2.86 -0.05 0.07 2.47 -1.26 -3.58 119.74 116.25 1pfj s LYS 14 Ca -0.04 -0.96 -0.15 0.00 -1.56 0.00 0.00 55.97 53.26 1pfj s LYS 14 Cb 0.10 -3.01 0.03 0.00 -1.46 0.00 0.00 37.83 33.49 1pfj s LYS 14 CO 0.32 -0.40 0.35 0.08 0.16 0.00 0.00 175.35 175.85 1pfj s VAL 15 N 1.34 0.04 -0.08 4.02 1.01 0.17 -4.69 120.40 122.21 1pfj s VAL 15 Ca 0.00 -0.30 0.04 0.00 0.00 0.00 0.00 61.98 61.72 1pfj s VAL 15 Cb -0.17 -0.60 0.00 0.00 0.00 0.00 0.00 36.38 35.61 1pfj s VAL 15 CO -0.04 -0.17 -0.22 -0.60 0.00 0.00 0.00 175.10 174.07 1pfj s ARG 16 N -0.85 2.68 -0.03 2.72 3.52 0.63 0.22 118.95 127.85 1pfj s ARG 16 Ca -0.09 -0.79 0.01 0.00 -0.13 0.00 0.00 55.73 54.72 1pfj s ARG 16 Cb -0.04 -2.09 0.02 0.00 -1.56 0.00 0.00 34.95 31.28 1pfj s ARG 16 CO 0.03 0.19 -0.03 1.14 -0.81 0.00 0.00 175.30 175.83 1pfj s GLN 17 N 0.29 0.51 0.51 5.12 -2.07 0.23 0.19 119.66 124.43 1pfj s GLN 17 Ca -0.15 -0.06 0.17 0.00 -1.82 0.00 0.00 55.36 53.50 1pfj s GLN 17 Cb -0.17 -0.57 0.59 0.00 -1.09 0.00 0.00 33.01 31.77 1pfj s GLN 17 CO 0.07 -0.05 1.01 1.63 -1.32 0.00 0.00 175.29 176.63 1pfj n LYS 18 N 3.77 0.01 -0.06 9.60 5.02 -1.26 0.14 118.16 135.38 1pfj n LYS 18 Ca -0.23 0.82 -0.09 0.00 -2.02 0.00 0.00 58.31 56.80 1pfj n LYS 18 Cb 0.53 -2.08 -0.08 0.00 -0.02 0.00 0.00 35.03 33.37 1pfj n LYS 18 CO 0.00 0.00 0.00 1.57 -0.52 0.00 0.00 177.40 178.45 1pfj h LYS 19 N 0.00 -0.01 -3.65 1.97 2.10 -1.93 -3.49 116.57 111.56 1pfj h LYS 19 Ca 0.32 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.91 1pfj h LYS 19 Cb 2.24 0.00 -0.10 0.00 -0.90 0.00 0.00 32.23 33.48 1pfj h LYS 19 CO -0.00 0.63 -0.13 -1.14 -2.00 0.00 0.00 179.45 176.81 1pfj s GLN 20 N -2.05 1.46 -0.17 0.07 0.74 0.37 -5.13 119.66 114.96 1pfj s GLN 20 Ca -0.12 -1.19 -0.06 0.00 0.05 0.00 0.00 55.36 54.04 1pfj s GLN 20 Cb -0.02 0.46 -0.03 0.00 1.10 0.00 0.00 33.01 34.52 1pfj s GLN 20 CO 0.45 -0.60 0.02 -0.51 -0.55 0.00 0.00 175.29 174.10 1pfj s ASP 21 N -2.99 5.25 0.19 6.67 1.01 -1.26 0.76 116.67 126.30 1pfj s ASP 21 Ca 0.20 -0.01 -0.23 0.00 0.71 0.00 0.00 52.55 53.22 1pfj s ASP 21 Cb -0.00 -1.87 0.05 0.00 1.01 0.00 0.00 42.92 42.11 1pfj s ASP 21 CO 0.06 0.18 0.75 -0.83 0.21 0.00 0.00 175.17 175.54 1pfj s GLY 22 N 0.31 -0.30 0.02 0.21 0.00 0.60 -4.49 107.32 103.67 1pfj s GLY 22 Ca 0.00 0.13 -0.25 0.00 0.00 0.00 0.00 44.72 44.60 1pfj s GLY 22 CO 0.01 0.04 0.76 0.00 0.00 0.00 0.00 173.10 173.91 1pfj s ALA 23 N -3.67 3.35 -0.14 3.20 0.00 0.30 0.46 121.76 125.26 1pfj s ALA 23 Ca 0.08 0.26 -0.04 0.00 0.00 0.00 0.00 51.96 52.26 1pfj s ALA 23 Cb -0.03 -3.00 -0.03 0.00 0.00 0.00 0.00 23.12 20.06 1pfj s ALA 23 CO -0.01 0.02 -0.02 -0.51 0.00 0.00 0.00 175.76 175.24 1pfj s LEU 24 N 0.17 3.37 -0.09 0.00 1.43 0.27 0.14 118.68 123.97 1pfj s LEU 24 Ca 0.39 -0.05 0.01 0.00 -1.03 0.00 0.00 54.13 53.44 1pfj s LEU 24 Cb -0.20 -1.81 -0.03 0.00 0.03 0.00 0.00 46.19 44.19 1pfj s LEU 24 CO 0.22 0.21 -0.09 -0.31 0.23 0.00 0.00 176.35 176.61 1pfj s TYR 25 N 0.10 2.88 -0.02 0.29 2.02 0.31 0.19 117.35 123.12 1pfj s TYR 25 Ca 0.00 -0.18 0.07 0.00 -0.37 0.00 0.00 57.07 56.59 1pfj s TYR 25 Cb -0.13 -1.75 -0.02 0.00 -0.40 0.00 0.00 41.96 39.66 1pfj s TYR 25 CO 0.02 0.15 -0.22 -1.17 -1.57 0.00 0.00 175.55 172.76 1pfj s LEU 26 N -0.42 2.04 0.04 -1.29 2.96 0.72 1.00 118.68 123.73 1pfj s LEU 26 Ca 0.06 -0.41 0.02 0.00 -0.22 0.00 0.00 54.13 53.58 1pfj s LEU 26 Cb -0.12 -1.16 -0.02 0.00 0.50 0.00 0.00 46.19 45.39 1pfj s LEU 26 CO 0.02 0.27 -0.08 -0.32 -1.32 0.00 0.00 176.35 174.92 1pfj s MET 27 N -0.49 0.53 0.16 1.98 -2.45 0.73 -2.14 119.30 117.61 1pfj s MET 27 Ca 0.08 -0.73 -0.24 0.00 -1.25 0.00 0.00 55.69 53.54 1pfj s MET 27 Cb -0.09 -0.31 0.01 0.00 1.25 0.00 0.00 34.83 35.69 1pfj s MET 27 CO -0.01 0.06 1.36 0.00 1.05 0.00 0.00 175.02 177.48 1pfj n ALA 28 N 1.53 -0.45 1.20 4.11 0.00 -1.18 -0.90 120.51 124.82 1pfj n ALA 28 Ca -0.22 0.78 0.13 0.00 0.00 0.00 0.00 53.44 54.13 1pfj n ALA 28 Cb 0.55 -0.19 0.46 0.00 0.00 0.00 0.00 19.45 20.26 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 -5.15 0.43 -3.66 0.00 2.13 -1.26 -4.83 120.64 108.30 1pfj n GLU 29 Ca 0.04 -0.20 -0.09 0.00 0.66 0.00 0.00 57.16 57.57 1pfj n GLU 29 Cb 0.26 -1.50 -0.02 0.00 0.27 0.00 0.00 31.44 30.46 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 -2.70 1.49 -0.11 5.31 3.03 -0.08 0.17 118.95 126.07 1pfj s ARG 30 Ca 0.21 -0.73 -0.00 0.00 2.03 0.00 0.00 55.73 57.24 1pfj s ARG 30 Cb 0.19 0.57 -0.02 0.00 -1.03 0.00 0.00 34.95 34.66 1pfj s ARG 30 CO 0.56 -0.67 -0.10 0.42 -1.13 0.00 0.00 175.30 174.38 1pfj s ILE 31 N -3.76 3.41 0.12 4.99 -1.09 -0.38 -0.19 121.20 124.30 1pfj s ILE 31 Ca 0.07 -0.56 0.11 0.00 -2.23 0.00 0.00 60.65 58.04 1pfj s ILE 31 Cb -0.03 -2.42 -0.04 0.00 -1.58 0.00 0.00 42.46 38.38 1pfj s ILE 31 CO -0.02 0.55 -0.26 0.00 -1.23 0.00 0.00 174.94 173.97 1pfj s ALA 32 N -0.11 2.32 0.02 9.38 0.00 0.28 -0.35 121.76 133.30 1pfj s ALA 32 Ca 0.00 -1.43 0.06 0.00 0.00 0.00 0.00 51.96 50.59 1pfj s ALA 32 Cb -0.13 -0.38 -0.02 0.00 0.00 0.00 0.00 23.12 22.59 1pfj s ALA 32 CO 0.03 0.53 -0.18 -0.46 0.00 0.00 0.00 175.76 175.68 1pfj s TRP 33 N -1.04 1.60 -0.25 0.00 -0.00 -0.57 0.12 118.94 118.78 1pfj s TRP 33 Ca 0.13 -0.34 -0.02 0.00 -0.00 0.00 0.00 56.10 55.87 1pfj s TRP 33 Cb -0.10 -0.98 0.14 0.00 -0.00 0.00 0.00 33.47 32.53 1pfj s TRP 33 CO 0.06 0.04 0.39 0.00 -0.00 0.00 0.00 176.95 177.43 1pfj s ALA 34 N -0.67 -1.16 0.17 5.86 0.00 0.36 0.27 121.76 126.59 1pfj s ALA 34 Ca 0.06 0.82 -0.34 0.00 0.00 0.00 0.00 51.96 52.50 1pfj s ALA 34 Cb -0.08 -1.77 -0.14 0.00 0.00 0.00 0.00 23.12 21.13 1pfj s ALA 34 CO 0.01 -1.36 1.57 -0.35 0.00 0.00 0.00 175.76 175.63 1pfj n PRO 35 N 5.37 2.16 -0.86 0.00 -0.04 -1.26 0.11 135.00 140.47 1pfj n PRO 35 Ca -0.03 0.78 -0.40 0.00 -0.04 0.00 0.00 63.50 63.81 1pfj n PRO 35 Cb 0.50 -2.54 -0.07 0.00 -0.04 0.00 0.00 33.50 31.34 1pfj n PRO 35 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1pfj n GLU 36 N 3.37 1.00 0.00 0.54 2.13 -1.26 -3.46 120.64 122.96 1pfj n GLU 36 Ca 0.17 -1.49 0.00 0.00 0.66 0.00 0.00 57.16 56.50 1pfj n GLU 36 Cb 0.29 -2.71 0.00 0.00 0.27 0.00 0.00 31.44 29.29 1pfj n GLU 36 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1pfj n GLY 37 N 4.60 -0.11 0.00 8.31 0.00 -1.26 -5.00 105.19 111.73 1pfj n GLY 37 Ca 0.46 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.49 1pfj n GLY 37 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1pfj n LYS 38 N -2.25 0.00 -1.31 1.61 5.02 -1.22 -5.03 118.16 114.96 1pfj n LYS 38 Ca 0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.17 1pfj n LYS 38 Cb 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 35.03 34.89 1pfj n LYS 38 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1pfj n ASP 39 N -0.11 -1.23 -0.34 4.39 8.00 -1.26 -4.64 116.55 121.36 1pfj n ASP 39 Ca 0.00 -1.10 0.30 0.00 0.71 0.00 0.00 54.79 54.70 1pfj n ASP 39 Cb 0.00 -0.73 0.46 0.00 -0.02 0.00 0.00 41.12 40.82 1pfj n ASP 39 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1pfj n ARG 40 N 5.56 0.00 -4.56 -1.24 1.74 -1.26 -4.03 116.66 112.87 1pfj n ARG 40 Ca 0.38 0.75 -0.22 0.00 -0.77 0.00 0.00 57.85 57.99 1pfj n ARG 40 Cb 0.33 -1.80 -0.16 0.00 -1.02 0.00 0.00 32.46 29.82 1pfj n ARG 40 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1pfj s PHE 41 N -4.05 1.22 0.00 -1.55 0.08 -1.26 -4.52 117.98 107.90 1pfj s PHE 41 Ca -0.03 -0.31 0.00 0.00 0.12 0.00 0.00 56.93 56.71 1pfj s PHE 41 Cb 0.15 -0.84 0.00 0.00 -0.57 0.00 0.00 43.02 41.76 1pfj s PHE 41 CO 0.49 -0.11 0.00 -2.37 -0.10 0.00 0.00 175.22 173.13 1pfj n THR 42 N 3.17 0.00 -3.74 0.64 5.66 0.76 -4.89 114.28 115.89 1pfj n THR 42 Ca -0.18 -0.01 -0.10 0.00 -3.05 0.00 0.00 64.05 60.72 1pfj n THR 42 Cb 0.54 0.19 -0.06 0.00 -1.55 0.00 0.00 70.33 69.45 1pfj n THR 42 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 1pfj s ILE 43 N -0.46 0.10 -0.29 1.09 1.01 0.14 -4.79 121.20 118.00 1pfj s ILE 43 Ca 0.00 -0.86 -0.03 0.00 0.00 0.00 0.00 60.65 59.76 1pfj s ILE 43 Cb 0.00 -1.28 0.19 0.00 0.01 0.00 0.00 42.46 41.38 1pfj s ILE 43 CO 0.00 -0.44 0.82 -0.55 0.00 0.00 0.00 174.94 174.77 1pfj s SER 44 N -2.84 -1.02 -0.23 3.58 0.15 -1.21 -1.52 113.70 110.61 1pfj s SER 44 Ca 0.05 0.19 -0.05 0.00 0.70 0.00 0.00 55.95 56.84 1pfj s SER 44 Cb 0.03 1.68 -0.01 0.00 -1.71 0.00 0.00 66.02 66.00 1pfj s SER 44 CO -0.11 -0.19 -0.00 -1.00 1.20 0.00 0.00 173.24 173.14 1pfj s HIS 45 N 2.89 3.01 -0.12 3.44 0.09 0.53 -4.88 115.29 120.25 1pfj s HIS 45 Ca 0.17 -0.80 -0.29 0.00 -0.00 0.00 0.00 55.06 54.14 1pfj s HIS 45 Cb -0.07 -2.15 -0.04 0.00 -0.00 0.00 0.00 32.58 30.32 1pfj s HIS 45 CO -0.23 -0.50 1.55 -1.64 -0.00 0.00 0.00 174.74 173.92 1pfj s MET 46 N 1.52 4.09 0.31 1.40 -1.94 -1.26 -1.25 119.30 122.18 1pfj s MET 46 Ca 0.06 1.93 0.04 0.00 -1.71 0.00 0.00 55.69 56.01 1pfj s MET 46 Cb -0.15 -3.95 0.83 0.00 2.01 0.00 0.00 34.83 33.58 1pfj s MET 46 CO -0.01 -0.93 1.58 1.88 -0.01 0.00 0.00 175.02 177.54 1pfj h TYR 47 N 9.52 0.13 -0.19 -0.03 0.05 0.14 2.41 116.97 129.00 1pfj h TYR 47 Ca -0.35 0.06 -0.12 0.00 0.05 0.00 0.00 58.73 58.38 1pfj h TYR 47 Cb 1.15 0.10 -0.01 0.00 1.01 0.00 0.00 36.73 38.98 1pfj h TYR 47 CO 0.87 -0.41 -0.39 0.00 -1.05 0.00 0.00 178.16 177.19 1pfj h ALA 48 N 1.95 0.97 0.00 3.88 0.00 -1.90 -1.15 119.26 123.02 1pfj h ALA 48 Ca 0.63 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1pfj h ALA 48 Cb 1.35 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1pfj h ALA 48 CO -0.86 0.62 0.00 -0.25 0.00 0.00 0.00 179.25 178.76 1pfj n ASP 49 N -4.04 0.00 -3.86 0.00 9.92 0.78 -4.53 116.55 114.82 1pfj n ASP 49 Ca -0.01 -0.05 -0.15 0.00 -0.53 0.00 0.00 54.79 54.05 1pfj n ASP 49 Cb 0.49 -0.20 -0.15 0.00 -0.64 0.00 0.00 41.12 40.62 1pfj n ASP 49 CO 0.00 0.00 0.00 0.27 0.13 0.00 0.00 177.20 177.60 1pfj s ILE 50 N -2.39 0.16 -0.27 0.53 -4.36 0.80 -4.08 121.20 111.60 1pfj s ILE 50 Ca 0.14 0.00 -0.03 0.00 -0.26 0.00 0.00 60.65 60.50 1pfj s ILE 50 Cb 0.08 -0.21 0.09 0.00 1.25 0.00 0.00 42.46 43.68 1pfj s ILE 50 CO 0.17 0.10 0.10 -0.75 0.24 0.00 0.00 174.94 174.80 1pfj s LYS 51 N 0.50 0.43 0.00 0.37 2.47 0.53 -4.72 119.74 119.32 1pfj s LYS 51 Ca -0.05 -0.64 0.00 0.00 -1.56 0.00 0.00 55.97 53.72 1pfj s LYS 51 Cb -0.07 -1.67 0.00 0.00 -1.46 0.00 0.00 37.83 34.62 1pfj s LYS 51 CO -0.01 -0.91 0.00 0.00 0.16 0.00 0.00 175.35 174.59 1pfj s GLN 53 N -0.65 0.03 -0.21 0.00 1.11 -1.26 -1.84 119.66 116.85 1pfj s GLN 53 Ca 0.00 0.53 0.01 0.00 0.01 0.00 0.00 55.36 55.91 1pfj s GLN 53 Cb 0.00 -0.28 0.05 0.00 -1.01 0.00 0.00 33.01 31.77 1pfj s GLN 53 CO 0.00 -0.29 -0.08 0.15 0.01 0.00 0.00 175.29 175.07 1pfj s LYS 54 N 2.17 1.86 -0.28 2.91 -0.14 0.60 -4.96 119.74 121.91 1pfj s LYS 54 Ca 0.02 -0.89 0.00 0.00 -1.36 0.00 0.00 55.97 53.75 1pfj s LYS 54 Cb -0.12 -2.46 0.15 0.00 -1.68 0.00 0.00 37.83 33.72 1pfj s LYS 54 CO -0.06 -0.49 0.36 0.96 -0.76 0.00 0.00 175.35 175.37 1pfj s ILE 55 N 1.40 -0.54 -0.16 2.17 -5.25 -1.26 0.20 121.20 117.75 1pfj s ILE 55 Ca -0.03 -0.32 0.16 0.00 -0.99 0.00 0.00 60.65 59.46 1pfj s ILE 55 Cb -0.17 -0.95 0.35 0.00 2.95 0.00 0.00 42.46 44.63 1pfj s ILE 55 CO -0.07 -0.32 1.18 -0.24 -1.79 0.00 0.00 174.94 173.70 1pfj n SER 56 N 5.34 2.07 0.00 4.36 2.88 -1.26 -4.72 113.62 122.29 1pfj n SER 56 Ca -0.01 -3.44 0.02 0.00 -1.33 0.00 0.00 58.87 54.11 1pfj n SER 56 Cb 0.48 -0.47 0.09 0.00 -0.75 0.00 0.00 64.21 63.57 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 -1.30 0.04 -0.28 -1.46 -0.04 -1.25 -1.98 135.00 128.73 1pfj n PRO 57 Ca 0.17 0.30 0.26 0.00 -0.04 0.00 0.00 63.50 64.19 1pfj n PRO 57 Cb 0.66 -1.50 0.60 0.00 -0.04 0.00 0.00 33.50 33.23 1pfj n PRO 57 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1pfj h GLU 58 N 0.00 0.23 -0.19 0.54 4.11 -1.94 -2.68 114.58 114.65 1pfj h GLU 58 Ca 0.00 -0.01 -0.20 0.00 0.07 0.00 0.00 59.36 59.21 1pfj h GLU 58 Cb 0.05 -0.05 -0.36 0.00 0.50 0.00 0.00 28.75 28.88 1pfj h GLU 58 CO 0.00 0.15 -0.98 0.41 0.07 0.00 0.00 179.01 178.66 1pfj n GLY 59 N -1.59 1.38 0.00 1.06 0.00 -0.84 -5.06 105.19 100.14 1pfj n GLY 59 Ca 0.23 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.14 0.00 0.00 1.61 4.76 -1.01 -5.04 118.16 118.33 1pfj n LYS 60 Ca 0.03 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.47 1pfj n LYS 60 Cb 0.95 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 34.14 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 -3.00 2.47 -2.01 7.82 0.00 -1.26 -4.98 120.51 119.55 1pfj n ALA 61 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1pfj n ALA 61 Cb 0.00 0.40 -0.01 0.00 0.00 0.00 0.00 19.45 19.83 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 -2.58 0.21 -0.51 0.00 2.85 -1.26 -5.07 118.16 111.80 1pfj n LYS 62 Ca 0.00 -0.67 0.00 0.00 -1.05 0.00 0.00 58.31 56.59 1pfj n LYS 62 Cb 0.40 0.45 0.00 0.00 -0.65 0.00 0.00 35.03 35.22 1pfj n LYS 62 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 177.40 177.79 1pfj n ILE 63 N -0.24 -0.67 -5.24 0.58 -0.00 -1.26 -4.59 119.36 107.94 1pfj n ILE 63 Ca -0.16 0.00 -0.31 0.00 -0.00 0.00 0.00 62.75 62.27 1pfj n ILE 63 Cb 0.59 -1.35 -0.16 0.00 -0.00 0.00 0.00 39.64 38.72 1pfj n ILE 63 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1pfj s GLN 64 N -0.98 2.43 0.19 6.28 -2.07 -1.26 -3.30 119.66 120.94 1pfj s GLN 64 Ca 0.00 -0.89 0.03 0.00 -1.82 0.00 0.00 55.36 52.68 1pfj s GLN 64 Cb 0.00 -2.15 -0.05 0.00 -1.09 0.00 0.00 33.01 29.72 1pfj s GLN 64 CO 0.00 0.45 -0.03 -0.48 -1.32 0.00 0.00 175.29 173.91 1pfj s LEU 65 N -0.34 2.29 -0.10 2.60 -0.00 -0.47 -3.94 118.68 118.72 1pfj s LEU 65 Ca 0.02 -1.14 -0.09 0.00 -0.00 0.00 0.00 54.13 52.92 1pfj s LEU 65 Cb -0.12 -0.24 0.03 0.00 -0.00 0.00 0.00 46.19 45.85 1pfj s LEU 65 CO 0.02 -0.47 0.26 -1.10 -0.00 0.00 0.00 176.35 175.06 1pfj s GLN 66 N -3.84 0.29 0.01 1.48 -0.21 0.53 -1.55 119.66 116.38 1pfj s GLN 66 Ca 0.23 0.38 -0.02 0.00 0.02 0.00 0.00 55.36 55.97 1pfj s GLN 66 Cb 0.05 0.12 -0.01 0.00 1.00 0.00 0.00 33.01 34.16 1pfj s GLN 66 CO 0.05 -0.05 0.03 -1.17 -2.12 0.00 0.00 175.29 172.03 1pfj s LEU 67 N 0.27 1.99 0.19 2.90 0.20 0.28 0.22 118.68 124.74 1pfj s LEU 67 Ca -0.01 -0.36 0.09 0.00 0.69 0.00 0.00 54.13 54.54 1pfj s LEU 67 Cb -0.03 0.28 -0.04 0.00 -0.43 0.00 0.00 46.19 45.97 1pfj s LEU 67 CO -0.01 -0.30 -0.17 -0.69 -0.29 0.00 0.00 176.35 174.89 1pfj s VAL 68 N -1.30 1.90 0.14 1.68 1.01 -0.76 0.25 120.40 123.31 1pfj s VAL 68 Ca -0.14 -2.08 -0.15 0.00 0.00 0.00 0.00 61.98 59.60 1pfj s VAL 68 Cb -0.08 -1.98 -0.07 0.00 0.00 0.00 0.00 36.38 34.25 1pfj s VAL 68 CO -0.00 -0.41 0.56 -0.76 0.00 0.00 0.00 175.10 174.49 1pfj s LEU 69 N -2.98 4.37 0.51 3.92 2.01 0.47 0.20 118.68 127.17 1pfj s LEU 69 Ca 0.20 1.12 0.36 0.00 0.01 0.00 0.00 54.13 55.82 1pfj s LEU 69 Cb -0.04 -3.22 1.51 0.00 0.01 0.00 0.00 46.19 44.45 1pfj s LEU 69 CO 0.08 0.13 1.72 1.12 1.01 0.00 0.00 176.35 180.40 1pfj h HIS 70 N 3.71 0.19 -0.32 0.29 2.07 -1.78 -3.35 115.15 115.96 1pfj h HIS 70 Ca -0.49 0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.04 1pfj h HIS 70 Cb 1.20 -0.05 0.00 0.00 2.57 0.00 0.00 27.41 31.13 1pfj h HIS 70 CO 0.66 -0.03 0.00 0.00 -3.07 0.00 0.00 177.93 175.49 1pfj n ALA 71 N -2.72 0.00 -2.36 6.11 0.00 -1.26 -4.92 120.51 115.37 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 1.40 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.86 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 3.56 5.80 3.03 0.00 0.00 -1.26 -4.95 105.19 111.37 1pfj n GLY 72 Ca 0.00 -2.64 -0.23 0.00 0.00 0.00 0.00 46.02 43.15 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 -2.30 1.61 0.30 1.61 1.11 -1.26 -4.98 116.67 112.76 1pfj s ASP 73 Ca 0.48 -0.26 0.08 0.00 0.18 0.00 0.00 52.55 53.03 1pfj s ASP 73 Cb 0.37 -0.57 -0.03 0.00 1.07 0.00 0.00 42.92 43.76 1pfj s ASP 73 CO -0.26 0.07 0.22 -0.89 1.18 0.00 0.00 175.17 175.49 1pfj s THR 74 N 0.37 3.81 -0.24 -1.27 2.01 -1.26 0.18 115.64 119.22 1pfj s THR 74 Ca -0.08 -1.45 -0.04 0.00 0.31 0.00 0.00 61.69 60.43 1pfj s THR 74 Cb -0.12 -3.22 0.08 0.00 0.01 0.00 0.00 72.50 69.25 1pfj s THR 74 CO 0.02 -0.25 0.10 -0.89 -0.69 0.00 0.00 174.62 172.91 1pfj s THR 75 N -2.26 0.15 0.01 -0.82 2.01 0.68 -4.89 115.64 110.53 1pfj s THR 75 Ca 0.37 -0.65 0.03 0.00 0.31 0.00 0.00 61.69 61.74 1pfj s THR 75 Cb -0.06 -0.97 -0.04 0.00 0.01 0.00 0.00 72.50 71.44 1pfj s THR 75 CO 0.25 -0.51 -0.03 0.20 -0.69 0.00 0.00 174.62 173.84 1pfj s ASN 76 N 2.00 4.90 -0.04 3.53 -0.87 -1.26 -0.55 114.94 122.65 1pfj s ASN 76 Ca 0.06 -0.09 -0.14 0.00 -1.57 0.00 0.00 52.86 51.12 1pfj s ASN 76 Cb -0.16 -1.21 0.02 0.00 -0.02 0.00 0.00 41.25 39.88 1pfj s ASN 76 CO -0.23 0.27 0.30 -0.36 -2.57 0.00 0.00 177.10 174.51 1pfj s PHE 77 N -1.08 -0.21 0.12 2.20 0.08 -0.60 -4.77 117.98 113.71 1pfj s PHE 77 Ca 0.19 0.38 -0.00 0.00 0.12 0.00 0.00 56.93 57.63 1pfj s PHE 77 Cb -0.11 0.09 -0.04 0.00 -0.57 0.00 0.00 43.02 42.39 1pfj s PHE 77 CO 0.10 -0.34 0.01 -1.58 -0.10 0.00 0.00 175.22 173.32 1pfj s HIS 78 N -0.99 0.85 -0.07 0.36 5.65 0.49 -1.37 115.29 120.22 1pfj s HIS 78 Ca -0.11 -1.11 -0.06 0.00 0.25 0.00 0.00 55.06 54.03 1pfj s HIS 78 Cb -0.05 -0.51 0.02 0.00 -1.18 0.00 0.00 32.58 30.86 1pfj s HIS 78 CO 0.03 -0.38 0.18 -0.06 -0.65 0.00 0.00 174.74 173.86 1pfj s PHE 79 N -3.89 -0.19 -0.25 3.88 0.40 -1.21 0.23 117.98 116.95 1pfj s PHE 79 Ca 0.18 0.48 -0.32 0.00 -0.60 0.00 0.00 56.93 56.67 1pfj s PHE 79 Cb 0.07 0.07 0.17 0.00 0.51 0.00 0.00 43.02 43.83 1pfj s PHE 79 CO -0.01 -0.10 1.29 0.45 0.70 0.00 0.00 175.22 177.55 1pfj s SER 80 N 0.08 -0.09 0.32 1.36 0.15 -1.26 -4.61 113.70 109.65 1pfj s SER 80 Ca -0.00 0.06 -0.07 0.00 0.70 0.00 0.00 55.95 56.64 1pfj s SER 80 Cb -0.01 0.08 0.01 0.00 -1.71 0.00 0.00 66.02 64.39 1pfj s SER 80 CO 0.00 -0.11 0.51 0.20 1.20 0.00 0.00 173.24 175.04 1pfj s ASN 81 N -1.45 0.49 0.37 5.45 0.02 -1.26 -4.72 114.94 113.83 1pfj s ASN 81 Ca 0.08 -1.28 0.15 0.00 -1.02 0.00 0.00 52.86 50.79 1pfj s ASN 81 Cb -0.01 0.66 1.00 0.00 0.02 0.00 0.00 41.25 42.92 1pfj s ASN 81 CO -0.05 -1.30 1.78 1.05 0.02 0.00 0.00 177.10 178.60 1pfj h GLU 82 N 2.15 0.48 0.00 -0.60 4.11 -2.02 -3.25 114.58 115.45 1pfj h GLU 82 Ca -0.28 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.12 1pfj h GLU 82 Cb 1.24 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1pfj h GLU 82 CO 0.38 0.32 -0.15 0.43 0.07 0.00 0.00 179.01 180.06 1pfj n SER 83 N -4.66 0.00 -1.08 3.06 7.64 -1.26 -4.88 113.62 112.44 1pfj n SER 83 Ca 0.24 -1.30 0.08 0.00 1.01 0.00 0.00 58.87 58.90 1pfj n SER 83 Cb 0.76 -0.06 0.27 0.00 -1.01 0.00 0.00 64.21 64.17 1pfj n SER 83 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1pfj n THR 84 N 0.00 1.93 -2.46 0.44 -1.04 -1.22 -4.69 114.28 107.24 1pfj n THR 84 Ca 0.00 -1.48 -0.43 0.00 -2.04 0.00 0.00 64.05 60.11 1pfj n THR 84 Cb 0.56 0.01 0.01 0.00 -1.82 0.00 0.00 70.33 69.08 1pfj n THR 84 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1pfj n ALA 85 N 0.20 5.39 -2.36 2.41 0.00 -1.26 -4.39 120.51 120.50 1pfj n ALA 85 Ca 0.21 -4.42 0.00 0.00 0.00 0.00 0.00 53.44 49.23 1pfj n ALA 85 Cb 0.81 -2.84 0.00 0.00 0.00 0.00 0.00 19.45 17.43 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 2.82 0.00 -0.26 0.00 0.24 -1.26 -4.91 118.33 114.96 1pfj n VAL 86 Ca 0.37 0.00 0.05 0.00 -2.04 0.00 0.00 64.34 62.73 1pfj n VAL 86 Cb 0.35 0.00 0.12 0.00 -1.47 0.00 0.00 33.84 32.84 1pfj n VAL 86 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1pfj n LYS 87 N 0.00 -0.07 0.00 7.34 5.02 -1.26 0.17 118.16 129.37 1pfj n LYS 87 Ca 0.00 1.15 0.00 0.00 -2.02 0.00 0.00 58.31 57.44 1pfj n LYS 87 Cb 0.00 -1.73 0.00 0.00 -0.02 0.00 0.00 35.03 33.28 1pfj n LYS 87 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1pfj n GLU 88 N -5.18 0.00 -0.10 1.97 0.00 -1.26 0.22 120.64 116.29 1pfj n GLU 88 Ca 0.13 0.55 -0.09 0.00 0.00 0.00 0.00 57.16 57.74 1pfj n GLU 88 Cb 0.40 -1.25 -0.02 0.00 0.00 0.00 0.00 31.44 30.57 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 0.44 0.00 3.44 2.47 -1.54 0.30 114.38 119.49 1pfj h ARG 89 Ca 0.00 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.67 1pfj h ARG 89 Cb 0.00 -0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.23 1pfj h ARG 89 CO 0.00 0.35 0.13 -3.47 0.56 0.00 0.00 179.97 177.55 1pfj n ASP 90 N -4.81 0.23 -0.06 7.04 2.03 0.46 -0.26 116.55 121.18 1pfj n ASP 90 Ca -0.01 0.53 -0.17 0.00 0.52 0.00 0.00 54.79 55.66 1pfj n ASP 90 Cb 0.06 -0.53 -0.14 0.00 -0.72 0.00 0.00 41.12 39.80 1pfj n ASP 90 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1pfj n ALA 91 N -1.53 1.25 -0.08 -1.67 0.00 0.60 -1.15 120.51 117.91 1pfj n ALA 91 Ca -0.01 -0.90 -0.14 0.00 0.00 0.00 0.00 53.44 52.39 1pfj n ALA 91 Cb 0.14 -0.43 -0.05 0.00 0.00 0.00 0.00 19.45 19.12 1pfj n ALA 91 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1pfj h VAL 92 N 0.03 1.30 -0.28 0.00 -1.51 0.11 -0.23 116.25 115.66 1pfj h VAL 92 Ca -0.48 -1.59 -0.08 0.00 -1.23 0.00 0.00 66.70 63.32 1pfj h VAL 92 Cb 2.01 1.65 -0.01 0.00 -2.13 0.00 0.00 31.29 32.81 1pfj h VAL 92 CO 0.02 0.51 -0.15 0.50 -1.23 0.00 0.00 177.57 177.22 1pfj h LYS 93 N 0.51 0.60 -0.01 5.19 3.64 -0.79 0.34 116.57 126.05 1pfj h LYS 93 Ca 0.03 -0.27 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 1pfj h LYS 93 Cb 0.99 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.80 1pfj h LYS 93 CO 0.09 0.84 0.10 0.22 -2.27 0.00 0.00 179.45 178.44 1pfj h ASP 94 N 0.35 0.00 0.05 4.20 3.58 -0.91 -1.03 116.42 122.66 1pfj h ASP 94 Ca 0.06 0.00 -0.34 0.00 0.42 0.00 0.00 57.03 57.17 1pfj h ASP 94 Cb 0.67 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.68 1pfj h ASP 94 CO 0.04 0.00 -1.91 0.18 -2.88 0.00 0.00 179.24 174.68 1pfj n LEU 95 N -3.12 2.36 -0.05 2.28 7.99 -0.12 -4.26 117.00 122.09 1pfj n LEU 95 Ca -0.02 0.24 -0.01 0.00 -0.01 0.00 0.00 56.01 56.20 1pfj n LEU 95 Cb 0.17 -1.01 -0.01 0.00 -0.11 0.00 0.00 43.42 42.46 1pfj n LEU 95 CO 0.19 0.65 0.43 0.18 -1.51 0.00 0.00 177.39 177.33 1pfj n LEU 96 N -3.84 -0.12 0.00 2.23 4.77 0.11 0.27 117.00 120.42 1pfj n LEU 96 Ca -0.37 0.95 0.00 0.00 -0.03 0.00 0.00 56.01 56.56 1pfj n LEU 96 Cb 0.91 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 1pfj n LEU 96 CO 0.28 -0.54 0.24 0.00 -1.33 0.00 0.00 177.39 176.04 1pfj n GLN 97 N -3.16 0.00 -0.04 3.23 0.00 -1.13 -0.59 117.38 115.69 1pfj n GLN 97 Ca 0.00 0.03 -0.18 0.00 0.00 0.00 0.00 57.00 56.86 1pfj n GLN 97 Cb 0.03 -1.50 -0.14 0.00 0.00 0.00 0.00 30.24 28.63 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 -0.98 0.71 0.04 2.61 0.00 0.77 -4.17 117.38 116.37 1pfj n GLN 98 Ca 0.00 0.22 -0.07 0.00 -0.00 0.00 0.00 57.00 57.15 1pfj n GLN 98 Cb 0.00 -1.66 -0.12 0.00 0.00 0.00 0.00 30.24 28.46 1pfj n GLN 98 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.06 176.99 1pfj h LEU 99 N 0.04 0.00 -1.00 1.69 4.07 -0.00 -3.28 115.31 116.82 1pfj h LEU 99 Ca -0.45 0.00 0.36 0.00 0.08 0.00 0.00 57.88 57.86 1pfj h LEU 99 Cb 2.02 0.00 -0.16 0.00 1.08 0.00 0.00 40.66 43.59 1pfj h LEU 99 CO 0.04 0.98 0.54 0.25 -1.08 0.00 0.00 178.44 179.17 1pfj h LEU 100 N 0.00 0.41 0.00 1.67 5.85 -1.40 2.98 115.31 124.82 1pfj h LEU 100 Ca -0.08 0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.86 1pfj h LEU 100 Cb 1.81 0.20 0.00 0.00 0.37 0.00 0.00 40.66 43.04 1pfj h LEU 100 CO 0.12 -0.26 0.00 -2.65 -0.34 0.00 0.00 178.44 175.31 1pfj n PRO 101 N -5.14 0.50 -0.07 5.25 -0.02 -1.24 -3.15 135.00 131.12 1pfj n PRO 101 Ca 0.34 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.60 1pfj n PRO 101 Cb 1.09 -1.39 -0.12 0.00 -0.02 0.00 0.00 33.50 33.05 1pfj n PRO 101 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1pfj n LYS 102 N -0.89 0.67 0.00 -0.52 4.81 1.00 -4.38 118.16 118.84 1pfj n LYS 102 Ca 0.09 0.32 0.12 0.00 -0.87 0.00 0.00 58.31 57.98 1pfj n LYS 102 Cb 0.04 -1.65 0.23 0.00 0.02 0.00 0.00 35.03 33.67 1pfj n LYS 102 CO 0.00 0.00 0.00 1.97 1.17 0.00 0.00 177.40 180.54 1pfj n PHE 103 N -3.78 0.00 -3.63 5.64 -1.74 -1.21 -4.84 117.46 107.89 1pfj n PHE 103 Ca -0.38 0.00 -0.03 0.00 -0.56 0.00 0.00 57.45 56.48 1pfj n PHE 103 Cb 0.92 -0.05 -0.05 0.00 1.52 0.00 0.00 39.48 41.82 1pfj n PHE 103 CO 0.00 0.00 0.00 -1.59 -0.56 0.00 0.00 176.76 174.61 1pfj s LYS 104 N -2.37 0.61 0.00 3.97 0.00 -1.19 -4.92 119.74 115.84 1pfj s LYS 104 Ca 0.24 1.30 0.00 0.00 0.00 0.00 0.00 55.97 57.52 1pfj s LYS 104 Cb 0.19 0.54 0.00 0.00 0.00 0.00 0.00 37.83 38.56 1pfj s LYS 104 CO 0.49 -0.17 0.00 2.89 0.00 0.00 0.00 175.35 178.56 1pfj n ARG 105 N 4.93 0.00 -0.46 1.78 1.85 -1.26 -4.22 116.66 119.28 1pfj n ARG 105 Ca -0.15 0.00 -0.29 0.00 -1.00 0.00 0.00 57.85 56.41 1pfj n ARG 105 Cb 0.53 0.00 0.26 0.00 -1.05 0.00 0.00 32.46 32.20 1pfj n ARG 105 CO 0.00 0.00 0.00 0.36 -0.01 0.00 0.00 177.63 177.98 1pfj n LYS 106 N -1.48 -2.82 -3.36 2.89 2.85 -1.26 -4.98 118.16 110.00 1pfj n LYS 106 Ca 0.00 -0.80 -0.28 0.00 -1.05 0.00 0.00 58.31 56.17 1pfj n LYS 106 Cb 0.00 -2.05 -0.03 0.00 -0.65 0.00 0.00 35.03 32.30 1pfj n LYS 106 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1pfj s ALA 107 N -2.32 3.64 -2.00 0.58 0.00 -1.26 -5.23 121.76 115.17 1pfj s ALA 107 Ca 0.66 -0.60 0.21 0.00 0.00 0.00 0.00 51.96 52.23 1pfj s ALA 107 Cb -0.22 -2.27 1.26 0.00 0.00 0.00 0.00 23.12 21.90 1pfj s ALA 107 CO 0.64 0.24 1.65 -1.71 0.00 0.00 0.00 175.76 176.58