#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 2.96 -0.01 -5.12 0.00 -1.26 -4.75 120.51 112.33 1pfj n ALA 2 Ca 0.00 -0.44 -0.03 0.00 0.00 0.00 0.00 53.44 52.97 1pfj n ALA 2 Cb 0.00 -0.63 -0.01 0.00 0.00 0.00 0.00 19.45 18.81 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 -2.01 0.96 0.00 0.00 -2.24 -1.26 -5.10 114.28 104.63 1pfj n THR 3 Ca -0.02 0.27 0.00 0.00 -2.27 0.00 0.00 64.05 62.03 1pfj n THR 3 Cb 0.44 -1.72 0.00 0.00 -2.10 0.00 0.00 70.33 66.95 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 -3.51 0.00 -3.09 3.42 2.88 -1.26 -5.17 113.62 106.88 1pfj n SER 4 Ca -0.04 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.31 1pfj n SER 4 Cb 0.17 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.56 1pfj n SER 4 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1pfj n SER 5 N 0.00 -0.34 -4.66 -3.46 3.41 -1.26 -4.74 113.62 102.57 1pfj n SER 5 Ca 0.00 -2.96 -0.31 0.00 -0.26 0.00 0.00 58.87 55.35 1pfj n SER 5 Cb 0.00 1.40 0.17 0.00 -0.26 0.00 0.00 64.21 65.52 1pfj n SER 5 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1pfj s GLU 6 N -3.24 0.88 -0.26 4.33 8.01 -1.26 -4.93 118.70 122.23 1pfj s GLU 6 Ca 0.33 1.39 0.02 0.00 0.01 0.00 0.00 54.97 56.72 1pfj s GLU 6 Cb 0.02 -1.72 0.06 0.00 -4.31 0.00 0.00 34.13 28.17 1pfj s GLU 6 CO 0.23 -2.68 -0.10 -1.21 0.01 0.00 0.00 175.26 171.52 1pfj s GLU 7 N -4.66 2.32 0.16 1.61 2.02 -1.26 -5.10 118.70 113.79 1pfj s GLU 7 Ca 0.66 -1.30 0.01 0.00 0.02 0.00 0.00 54.97 54.37 1pfj s GLU 7 Cb -0.22 -2.91 -0.04 0.00 0.10 0.00 0.00 34.13 31.06 1pfj s GLU 7 CO 0.59 -0.55 0.32 0.54 0.02 0.00 0.00 175.26 176.17 1pfj s VAL 8 N 1.14 5.29 -0.26 2.63 0.11 -1.26 -3.11 120.40 124.93 1pfj s VAL 8 Ca -0.08 -0.57 -0.15 0.00 -2.93 0.00 0.00 61.98 58.25 1pfj s VAL 8 Cb -0.19 -3.74 -0.12 0.00 -1.53 0.00 0.00 36.38 30.80 1pfj s VAL 8 CO -0.05 -0.11 -0.31 -0.11 -3.33 0.00 0.00 175.10 171.18 1pfj n LEU 9 N -0.57 1.95 -3.48 2.54 7.94 -0.97 -4.78 117.00 119.62 1pfj n LEU 9 Ca -0.06 0.35 -0.12 0.00 -1.11 0.00 0.00 56.01 55.07 1pfj n LEU 9 Cb 0.54 -0.82 -0.02 0.00 0.53 0.00 0.00 43.42 43.64 1pfj n LEU 9 CO 0.49 0.44 0.36 -0.22 -1.11 0.00 0.00 177.39 177.34 1pfj s LEU 10 N -7.59 -0.38 -0.00 -1.96 2.96 -0.89 -5.01 118.68 105.80 1pfj s LEU 10 Ca -0.37 -0.08 0.00 0.00 -0.22 0.00 0.00 54.13 53.46 1pfj s LEU 10 Cb 0.13 2.46 0.00 0.00 0.50 0.00 0.00 46.19 49.28 1pfj s LEU 10 CO 0.49 -0.96 -0.00 -0.51 -1.32 0.00 0.00 176.35 174.04 1pfj s ILE 11 N -3.77 0.05 -0.32 6.68 -1.16 -1.26 0.16 121.20 121.58 1pfj s ILE 11 Ca 0.02 -0.01 0.03 0.00 -0.51 0.00 0.00 60.65 60.18 1pfj s ILE 11 Cb -0.01 -0.06 0.09 0.00 0.61 0.00 0.00 42.46 43.10 1pfj s ILE 11 CO -0.12 0.02 0.03 0.68 -2.81 0.00 0.00 174.94 172.74 1pfj s VAL 12 N 0.06 2.02 0.45 4.00 -7.23 0.70 -4.94 120.40 115.47 1pfj s VAL 12 Ca -0.00 -2.05 0.32 0.00 -1.81 0.00 0.00 61.98 58.44 1pfj s VAL 12 Cb -0.01 -2.43 0.32 0.00 0.56 0.00 0.00 36.38 34.81 1pfj s VAL 12 CO -0.00 -0.50 1.97 0.07 -0.31 0.00 0.00 175.10 176.33 1pfj h LYS 13 N 7.72 0.00 -4.97 4.82 -0.00 -1.92 0.90 116.57 123.12 1pfj h LYS 13 Ca -0.08 0.00 -0.67 0.00 -0.00 0.00 0.00 60.65 59.90 1pfj h LYS 13 Cb 1.03 0.00 -0.32 0.00 -0.00 0.00 0.00 32.23 32.93 1pfj h LYS 13 CO 0.50 0.00 -0.78 0.21 -0.00 0.00 0.00 179.45 179.38 1pfj s LYS 14 N -3.94 2.98 -0.02 0.07 2.47 -1.26 -3.53 119.74 116.52 1pfj s LYS 14 Ca -0.04 -0.87 -0.17 0.00 -1.56 0.00 0.00 55.97 53.34 1pfj s LYS 14 Cb 0.09 -2.86 0.03 0.00 -1.46 0.00 0.00 37.83 33.63 1pfj s LYS 14 CO 0.29 -0.30 0.35 0.08 0.16 0.00 0.00 175.35 175.93 1pfj s VAL 15 N 1.34 0.05 -0.08 4.02 1.01 0.23 -4.69 120.40 122.29 1pfj s VAL 15 Ca 0.03 -0.41 0.04 0.00 0.00 0.00 0.00 61.98 61.63 1pfj s VAL 15 Cb -0.15 -0.66 0.00 0.00 0.00 0.00 0.00 36.38 35.57 1pfj s VAL 15 CO -0.07 -0.22 -0.19 -0.60 0.00 0.00 0.00 175.10 174.02 1pfj s ARG 16 N -1.28 2.37 -0.01 2.72 3.52 0.73 0.22 118.95 127.21 1pfj s ARG 16 Ca -0.13 -0.69 0.00 0.00 -0.13 0.00 0.00 55.73 54.79 1pfj s ARG 16 Cb -0.05 -1.88 0.01 0.00 -1.56 0.00 0.00 34.95 31.48 1pfj s ARG 16 CO 0.05 0.16 -0.01 1.14 -0.81 0.00 0.00 175.30 175.83 1pfj s GLN 17 N 0.36 0.15 0.51 5.12 -2.07 0.15 0.11 119.66 124.00 1pfj s GLN 17 Ca -0.14 -0.00 0.16 0.00 -1.82 0.00 0.00 55.36 53.55 1pfj s GLN 17 Cb -0.16 -0.22 0.53 0.00 -1.09 0.00 0.00 33.01 32.07 1pfj s GLN 17 CO 0.06 -0.02 1.00 1.63 -1.32 0.00 0.00 175.29 176.63 1pfj n LYS 18 N 3.41 0.02 -0.04 9.60 5.02 -1.26 0.89 118.16 135.79 1pfj n LYS 18 Ca -0.17 0.82 -0.04 0.00 -2.02 0.00 0.00 58.31 56.90 1pfj n LYS 18 Cb 0.56 -2.10 -0.03 0.00 -0.02 0.00 0.00 35.03 33.44 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 -0.02 -3.63 1.97 2.10 -1.93 -3.49 116.57 111.56 1pfj h LYS 19 Ca 0.29 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.88 1pfj h LYS 19 Cb 2.20 0.01 -0.09 0.00 -0.90 0.00 0.00 32.23 33.44 1pfj h LYS 19 CO -0.00 0.23 -0.12 -0.65 -2.00 0.00 0.00 179.45 176.91 1pfj s GLN 20 N -1.82 1.52 -0.17 0.07 -1.52 0.26 -5.12 119.66 112.87 1pfj s GLN 20 Ca -0.05 -1.22 -0.06 0.00 -1.95 0.00 0.00 55.36 52.08 1pfj s GLN 20 Cb -0.01 0.47 -0.04 0.00 -0.22 0.00 0.00 33.01 33.22 1pfj s GLN 20 CO 0.18 -0.63 0.03 -0.51 -0.25 0.00 0.00 175.29 174.11 1pfj s ASP 21 N -3.00 5.34 0.20 5.90 1.01 -1.26 0.33 116.67 125.19 1pfj s ASP 21 Ca 0.21 0.01 -0.23 0.00 0.71 0.00 0.00 52.55 53.25 1pfj s ASP 21 Cb -0.01 -1.90 0.05 0.00 1.01 0.00 0.00 42.92 42.07 1pfj s ASP 21 CO 0.08 0.17 0.74 -0.83 0.21 0.00 0.00 175.17 175.53 1pfj s GLY 22 N 0.38 -0.31 0.13 0.21 0.00 0.59 -4.87 107.32 103.46 1pfj s GLY 22 Ca 0.01 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 0.77 0.00 0.00 0.00 0.00 173.10 173.92 1pfj s ALA 23 N -3.69 3.43 -0.16 3.20 0.00 0.48 0.78 121.76 125.80 1pfj s ALA 23 Ca 0.08 0.33 -0.04 0.00 0.00 0.00 0.00 51.96 52.32 1pfj s ALA 23 Cb -0.03 -2.96 -0.03 0.00 0.00 0.00 0.00 23.12 20.09 1pfj s ALA 23 CO -0.01 0.22 -0.02 -0.51 0.00 0.00 0.00 175.76 175.44 1pfj s LEU 24 N -0.79 3.36 -0.10 0.00 1.43 0.31 0.11 118.68 123.00 1pfj s LEU 24 Ca 0.37 -0.08 0.01 0.00 -1.03 0.00 0.00 54.13 53.39 1pfj s LEU 24 Cb -0.22 -1.82 -0.02 0.00 0.03 0.00 0.00 46.19 44.16 1pfj s LEU 24 CO 0.25 0.18 -0.11 -0.31 0.23 0.00 0.00 176.35 176.59 1pfj s TYR 25 N 0.31 2.83 -0.12 0.29 1.51 0.25 0.25 117.35 122.69 1pfj s TYR 25 Ca -0.02 -0.33 0.01 0.00 -1.01 0.00 0.00 57.07 55.71 1pfj s TYR 25 Cb -0.14 -1.77 -0.01 0.00 -0.11 0.00 0.00 41.96 39.92 1pfj s TYR 25 CO 0.02 0.03 -0.14 -1.17 -1.11 0.00 0.00 175.55 173.18 1pfj s LEU 26 N -0.17 2.65 0.17 -1.29 2.96 0.42 0.22 118.68 123.63 1pfj s LEU 26 Ca 0.01 -0.34 0.09 0.00 -0.22 0.00 0.00 54.13 53.67 1pfj s LEU 26 Cb -0.13 -1.58 -0.04 0.00 0.50 0.00 0.00 46.19 44.93 1pfj s LEU 26 CO 0.03 0.18 -0.14 -0.32 -1.32 0.00 0.00 176.35 174.78 1pfj s MET 27 N 0.27 1.91 0.19 1.98 -2.45 0.40 -2.09 119.30 119.51 1pfj s MET 27 Ca -0.10 -1.30 -0.20 0.00 -1.25 0.00 0.00 55.69 52.84 1pfj s MET 27 Cb -0.16 -2.10 0.13 0.00 1.25 0.00 0.00 34.83 33.95 1pfj s MET 27 CO 0.06 0.44 1.41 0.00 1.05 0.00 0.00 175.02 177.97 1pfj n ALA 28 N 0.22 -0.27 -0.18 4.11 0.00 -1.18 -1.02 120.51 122.20 1pfj n ALA 28 Ca -0.12 0.86 0.10 0.00 0.00 0.00 0.00 53.44 54.28 1pfj n ALA 28 Cb 0.55 -0.31 0.24 0.00 0.00 0.00 0.00 19.45 19.93 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 -5.28 2.65 -3.70 0.00 2.13 -1.26 -4.93 120.64 110.25 1pfj n GLU 29 Ca 0.07 -2.36 -0.09 0.00 0.66 0.00 0.00 57.16 55.43 1pfj n GLU 29 Cb 0.32 -1.45 -0.03 0.00 0.27 0.00 0.00 31.44 30.55 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 -1.07 1.48 -0.19 5.31 1.70 -0.19 0.20 118.95 126.20 1pfj s ARG 30 Ca 0.38 -0.81 -0.03 0.00 -0.47 0.00 0.00 55.73 54.80 1pfj s ARG 30 Cb 0.20 0.56 -0.01 0.00 -0.57 0.00 0.00 34.95 35.13 1pfj s ARG 30 CO 0.27 -0.65 -0.06 0.42 -1.08 0.00 0.00 175.30 174.20 1pfj s ILE 31 N -3.86 3.43 0.21 4.99 -1.09 -0.43 0.15 121.20 124.61 1pfj s ILE 31 Ca 0.08 -0.49 0.08 0.00 -2.23 0.00 0.00 60.65 58.08 1pfj s ILE 31 Cb -0.02 -2.52 -0.04 0.00 -1.58 0.00 0.00 42.46 38.29 1pfj s ILE 31 CO -0.02 0.46 0.05 0.00 -1.23 0.00 0.00 174.94 174.19 1pfj s ALA 32 N 0.99 3.30 0.02 9.38 0.00 0.60 -0.28 121.76 135.77 1pfj s ALA 32 Ca -0.00 -1.43 0.02 0.00 0.00 0.00 0.00 51.96 50.55 1pfj s ALA 32 Cb -0.15 -1.03 -0.02 0.00 0.00 0.00 0.00 23.12 21.93 1pfj s ALA 32 CO 0.00 0.39 -0.07 -0.46 0.00 0.00 0.00 175.76 175.62 1pfj s TRP 33 N -1.95 0.60 0.14 0.00 -0.00 -0.39 0.88 118.94 118.21 1pfj s TRP 33 Ca 0.30 -0.32 -0.13 0.00 -0.00 0.00 0.00 56.10 55.95 1pfj s TRP 33 Cb -0.08 -0.37 0.01 0.00 -0.00 0.00 0.00 33.47 33.03 1pfj s TRP 33 CO 0.20 -0.05 0.34 0.00 -0.00 0.00 0.00 176.95 177.45 1pfj s ALA 34 N -0.83 -0.52 0.17 5.86 0.00 0.31 0.51 121.76 127.25 1pfj s ALA 34 Ca -0.05 -0.43 0.01 0.00 0.00 0.00 0.00 51.96 51.50 1pfj s ALA 34 Cb -0.07 0.71 0.01 0.00 0.00 0.00 0.00 23.12 23.77 1pfj s ALA 34 CO 0.00 -0.64 0.09 -0.35 0.00 0.00 0.00 175.76 174.86 1pfj n PRO 35 N -0.20 1.35 -1.52 0.00 -0.04 -1.26 0.18 135.00 133.51 1pfj n PRO 35 Ca -0.13 -1.13 -0.32 0.00 -0.04 0.00 0.00 63.50 61.89 1pfj n PRO 35 Cb 0.63 0.18 -0.12 0.00 -0.04 0.00 0.00 33.50 34.15 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 -0.76 0.35 0.00 0.54 4.07 -1.26 -4.65 120.64 118.94 1pfj n GLU 36 Ca -0.03 -0.12 0.00 0.00 -0.06 0.00 0.00 57.16 56.96 1pfj n GLU 36 Cb 0.20 -2.22 0.00 0.00 -0.06 0.00 0.00 31.44 29.36 1pfj n GLU 36 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1pfj n GLY 37 N 6.21 4.82 0.00 8.31 0.00 -1.26 -5.15 105.19 118.12 1pfj n GLY 37 Ca 0.56 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 0.00 0.00 -0.55 1.61 5.02 -1.26 -5.01 118.16 117.97 1pfj n LYS 38 Ca 0.00 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.31 1pfj n LYS 38 Cb 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 35.03 35.04 1pfj n LYS 38 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1pfj n ASP 39 N 0.00 0.46 0.00 4.39 5.75 -1.26 -5.08 116.55 120.82 1pfj n ASP 39 Ca 0.00 -2.19 0.00 0.00 -0.01 0.00 0.00 54.79 52.59 1pfj n ASP 39 Cb 0.00 -0.25 0.00 0.00 -1.03 0.00 0.00 41.12 39.84 1pfj n ASP 39 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 1pfj n ARG 40 N -0.16 3.59 -3.95 0.11 1.85 -1.26 -5.15 116.66 111.69 1pfj n ARG 40 Ca 0.03 0.00 -0.10 0.00 -1.00 0.00 0.00 57.85 56.78 1pfj n ARG 40 Cb 0.74 0.00 -0.12 0.00 -1.05 0.00 0.00 32.46 32.03 1pfj n ARG 40 CO 0.00 0.00 0.00 -0.59 -0.01 0.00 0.00 177.63 177.03 1pfj s PHE 41 N 1.46 0.18 0.34 2.89 -0.71 -1.26 -4.67 117.98 116.21 1pfj s PHE 41 Ca 0.00 -0.37 0.07 0.00 -1.04 0.00 0.00 56.93 55.58 1pfj s PHE 41 Cb 0.00 -0.13 0.63 0.00 -1.21 0.00 0.00 43.02 42.31 1pfj s PHE 41 CO 0.00 -0.14 1.84 0.00 -1.34 0.00 0.00 175.22 175.59 1pfj h THR 42 N 4.79 1.21 -4.15 -4.49 1.03 1.18 -3.46 112.91 109.02 1pfj h THR 42 Ca -0.30 -0.96 -0.27 0.00 -0.01 0.00 0.00 66.41 64.87 1pfj h THR 42 Cb 1.21 1.23 -0.09 0.00 -1.07 0.00 0.00 68.15 69.43 1pfj h THR 42 CO 0.44 0.30 -0.22 0.27 -0.01 0.00 0.00 175.52 176.30 1pfj s ILE 43 N -4.67 0.00 -0.30 0.00 -5.25 0.05 -4.92 121.20 106.11 1pfj s ILE 43 Ca -0.06 -1.62 -0.13 0.00 -0.99 0.00 0.00 60.65 57.84 1pfj s ILE 43 Cb 0.15 -2.59 0.15 0.00 2.95 0.00 0.00 42.46 43.12 1pfj s ILE 43 CO 0.76 0.00 0.88 -0.94 -1.79 0.00 0.00 174.94 173.84 1pfj s SER 44 N -3.23 -0.77 -0.25 4.36 1.04 -1.25 -1.27 113.70 112.34 1pfj s SER 44 Ca 0.31 1.05 -0.06 0.00 0.48 0.00 0.00 55.95 57.73 1pfj s SER 44 Cb 0.00 1.87 -0.01 0.00 0.10 0.00 0.00 66.02 67.98 1pfj s SER 44 CO 0.20 -0.15 0.02 -1.00 0.98 0.00 0.00 173.24 173.29 1pfj s HIS 45 N 2.60 3.05 -0.10 5.02 0.09 0.61 -4.85 115.29 121.72 1pfj s HIS 45 Ca -0.04 -0.80 -0.29 0.00 -0.00 0.00 0.00 55.06 53.93 1pfj s HIS 45 Cb -0.08 -2.18 -0.05 0.00 -0.00 0.00 0.00 32.58 30.27 1pfj s HIS 45 CO -0.18 -0.50 1.65 -1.64 -0.00 0.00 0.00 174.74 174.07 1pfj s MET 46 N 1.52 4.07 0.31 1.40 -1.94 -1.26 -1.31 119.30 122.09 1pfj s MET 46 Ca 0.05 2.06 0.02 0.00 -1.71 0.00 0.00 55.69 56.11 1pfj s MET 46 Cb -0.15 -4.00 0.75 0.00 2.01 0.00 0.00 34.83 33.44 1pfj s MET 46 CO 0.00 -0.97 1.57 1.88 -0.01 0.00 0.00 175.02 177.50 1pfj h TYR 47 N 9.90 -0.03 -0.10 -0.03 0.05 0.21 2.44 116.97 129.41 1pfj h TYR 47 Ca -0.38 0.07 -0.11 0.00 0.05 0.00 0.00 58.73 58.36 1pfj h TYR 47 Cb 1.17 0.17 -0.01 0.00 1.01 0.00 0.00 36.73 39.07 1pfj h TYR 47 CO 0.89 -0.43 -0.43 0.00 -1.05 0.00 0.00 178.16 177.14 1pfj h ALA 48 N 1.97 1.09 0.00 3.88 0.00 -1.89 -0.94 119.26 123.37 1pfj h ALA 48 Ca 0.60 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1pfj h ALA 48 Cb 1.23 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1pfj h ALA 48 CO -0.91 0.60 0.00 -0.25 0.00 0.00 0.00 179.25 178.69 1pfj n ASP 49 N -4.01 0.00 -3.92 0.00 9.92 0.79 -4.61 116.55 114.73 1pfj n ASP 49 Ca -0.02 -0.04 -0.12 0.00 -0.53 0.00 0.00 54.79 54.08 1pfj n ASP 49 Cb 0.49 -0.22 -0.13 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 -2.43 0.14 -0.26 0.53 -4.36 0.42 -3.92 121.20 111.33 1pfj s ILE 50 Ca 0.15 -0.27 -0.03 0.00 -0.26 0.00 0.00 60.65 60.24 1pfj s ILE 50 Cb 0.09 -0.17 0.11 0.00 1.25 0.00 0.00 42.46 43.75 1pfj s ILE 50 CO 0.20 -0.08 0.23 -0.75 0.24 0.00 0.00 174.94 174.77 1pfj s LYS 51 N -0.38 0.24 0.00 0.37 2.47 0.49 -4.64 119.74 118.29 1pfj s LYS 51 Ca -0.03 -0.12 0.00 0.00 -1.56 0.00 0.00 55.97 54.26 1pfj s LYS 51 Cb -0.03 -0.99 0.00 0.00 -1.46 0.00 0.00 37.83 35.35 1pfj s LYS 51 CO -0.00 -0.90 0.00 0.00 0.16 0.00 0.00 175.35 174.61 1pfj s GLN 53 N -0.20 0.08 -0.09 0.00 -0.21 -1.26 -1.69 119.66 116.29 1pfj s GLN 53 Ca 0.00 0.49 0.02 0.00 0.02 0.00 0.00 55.36 55.89 1pfj s GLN 53 Cb 0.00 -0.20 0.01 0.00 1.00 0.00 0.00 33.01 33.82 1pfj s GLN 53 CO 0.00 -0.23 -0.14 0.21 -2.12 0.00 0.00 175.29 173.01 1pfj s LYS 54 N 1.74 2.01 -0.42 2.91 2.20 -0.49 -5.02 119.74 122.66 1pfj s LYS 54 Ca -0.03 -0.50 -0.07 0.00 -0.36 0.00 0.00 55.97 55.00 1pfj s LYS 54 Cb -0.12 -1.67 0.09 0.00 -1.51 0.00 0.00 37.83 34.62 1pfj s LYS 54 CO -0.06 -0.01 0.25 0.42 -0.36 0.00 0.00 175.35 175.59 1pfj s ILE 55 N 0.81 3.91 -0.19 5.43 -1.09 -1.26 -2.98 121.20 125.84 1pfj s ILE 55 Ca -0.11 -1.63 0.15 0.00 -2.23 0.00 0.00 60.65 56.83 1pfj s ILE 55 Cb -0.16 -3.49 0.42 0.00 -1.58 0.00 0.00 42.46 37.66 1pfj s ILE 55 CO 0.02 -0.58 1.30 -0.24 -1.23 0.00 0.00 174.94 174.22 1pfj n SER 56 N 4.82 2.72 -3.13 3.58 2.88 -1.25 -4.80 113.62 118.44 1pfj n SER 56 Ca -0.08 -3.34 -0.27 0.00 -1.33 0.00 0.00 58.87 53.85 1pfj n SER 56 Cb 0.42 -0.52 -0.05 0.00 -0.75 0.00 0.00 64.21 63.31 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 -1.06 3.04 -0.09 -1.46 -0.04 -1.25 -4.38 135.00 129.76 1pfj n PRO 57 Ca 0.22 -4.80 -0.13 0.00 -0.04 0.00 0.00 63.50 58.75 1pfj n PRO 57 Cb 0.80 -2.25 -0.08 0.00 -0.04 0.00 0.00 33.50 31.93 1pfj n PRO 57 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1pfj n GLU 58 N 0.15 0.44 -2.67 0.54 4.71 -1.26 -4.71 120.64 117.84 1pfj n GLU 58 Ca 0.31 0.11 -0.08 0.00 -0.01 0.00 0.00 57.16 57.48 1pfj n GLU 58 Cb 0.40 -1.35 0.05 0.00 -1.01 0.00 0.00 31.44 29.53 1pfj n GLU 58 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1pfj n GLY 59 N 2.59 1.48 2.08 0.62 0.00 -1.26 -5.10 105.19 105.60 1pfj n GLY 59 Ca -0.32 -1.07 -0.17 0.00 0.00 0.00 0.00 46.02 44.46 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 -0.17 1.20 0.00 1.61 4.76 -1.26 -5.03 118.16 119.26 1pfj n LYS 60 Ca 0.07 -2.02 0.00 0.00 -2.87 0.00 0.00 58.31 53.49 1pfj n LYS 60 Cb 0.83 0.41 0.00 0.00 -1.84 0.00 0.00 35.03 34.43 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 -2.20 0.00 -2.62 7.82 0.00 -1.26 -4.43 120.51 117.81 1pfj n ALA 61 Ca -0.11 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.31 1pfj n ALA 61 Cb 0.36 0.23 0.07 0.00 0.00 0.00 0.00 19.45 20.10 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 -2.05 0.75 -0.81 0.00 2.85 -1.26 -5.08 118.16 112.56 1pfj n LYS 62 Ca 0.00 -0.85 0.00 0.00 -1.05 0.00 0.00 58.31 56.41 1pfj n LYS 62 Cb 0.00 0.17 0.00 0.00 -0.65 0.00 0.00 35.03 34.55 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 -0.79 -1.08 -4.52 0.58 -5.35 -1.26 -4.41 119.36 102.52 1pfj n ILE 63 Ca -0.12 0.00 -0.24 0.00 -0.27 0.00 0.00 62.75 62.12 1pfj n ILE 63 Cb 0.73 -2.16 -0.17 0.00 -1.74 0.00 0.00 39.64 36.30 1pfj n ILE 63 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1pfj s GLN 64 N -0.84 1.59 0.35 6.28 -2.07 -1.26 -2.39 119.66 121.31 1pfj s GLN 64 Ca 0.00 -0.37 0.09 0.00 -1.82 0.00 0.00 55.36 53.25 1pfj s GLN 64 Cb 0.00 -1.34 -0.05 0.00 -1.09 0.00 0.00 33.01 30.53 1pfj s GLN 64 CO 0.00 0.01 0.05 -0.48 -1.32 0.00 0.00 175.29 173.55 1pfj s LEU 65 N 0.71 3.05 -0.08 2.60 -0.00 -0.31 -3.79 118.68 120.86 1pfj s LEU 65 Ca -0.14 -0.97 -0.04 0.00 -0.00 0.00 0.00 54.13 52.98 1pfj s LEU 65 Cb -0.16 -1.42 0.04 0.00 -0.00 0.00 0.00 46.19 44.65 1pfj s LEU 65 CO 0.03 -0.28 0.19 -1.58 -0.00 0.00 0.00 176.35 174.71 1pfj s GLN 66 N -3.76 0.16 0.05 1.48 0.74 -1.16 -1.79 119.66 115.38 1pfj s GLN 66 Ca 0.36 0.41 0.02 0.00 0.05 0.00 0.00 55.36 56.19 1pfj s GLN 66 Cb 0.00 -0.10 -0.03 0.00 1.10 0.00 0.00 33.01 33.98 1pfj s GLN 66 CO 0.20 -0.14 -0.06 -1.17 -0.55 0.00 0.00 175.29 173.57 1pfj s LEU 67 N 0.99 2.30 0.20 3.68 0.20 -0.36 -1.40 118.68 124.29 1pfj s LEU 67 Ca -0.07 -0.62 0.08 0.00 0.69 0.00 0.00 54.13 54.20 1pfj s LEU 67 Cb -0.09 -0.08 -0.05 0.00 -0.43 0.00 0.00 46.19 45.54 1pfj s LEU 67 CO -0.06 -0.28 -0.16 -0.69 -0.29 0.00 0.00 176.35 174.88 1pfj s VAL 68 N -1.82 1.81 0.11 1.68 1.01 -0.68 0.16 120.40 122.66 1pfj s VAL 68 Ca -0.07 -2.15 -0.15 0.00 0.00 0.00 0.00 61.98 59.61 1pfj s VAL 68 Cb -0.07 -2.00 -0.07 0.00 0.00 0.00 0.00 36.38 34.24 1pfj s VAL 68 CO -0.01 -0.51 0.53 -0.76 0.00 0.00 0.00 175.10 174.34 1pfj s LEU 69 N -3.16 4.39 0.51 3.92 2.01 0.40 0.18 118.68 126.94 1pfj s LEU 69 Ca 0.21 1.08 0.37 0.00 0.01 0.00 0.00 54.13 55.80 1pfj s LEU 69 Cb -0.02 -3.09 1.52 0.00 0.01 0.00 0.00 46.19 44.61 1pfj s LEU 69 CO 0.07 0.17 1.72 1.12 1.01 0.00 0.00 176.35 180.44 1pfj h HIS 70 N 3.90 0.16 -0.25 0.29 2.07 -1.78 -3.35 115.15 116.19 1pfj h HIS 70 Ca -0.49 0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.03 1pfj h HIS 70 Cb 1.20 -0.04 0.00 0.00 2.57 0.00 0.00 27.41 31.14 1pfj h HIS 70 CO 0.66 -0.02 0.00 0.00 -3.07 0.00 0.00 177.93 175.50 1pfj n ALA 71 N -2.73 0.00 -2.32 6.11 0.00 -1.26 -4.92 120.51 115.39 1pfj n ALA 71 Ca 0.32 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.42 1pfj n ALA 71 Cb 1.41 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.88 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 3.34 5.79 3.03 0.00 0.00 -1.26 -4.96 105.19 111.14 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 -2.38 1.62 0.30 1.61 1.11 -1.26 -4.98 116.67 112.70 1pfj s ASP 73 Ca 0.49 -0.26 0.08 0.00 0.18 0.00 0.00 52.55 53.03 1pfj s ASP 73 Cb 0.39 -0.60 -0.03 0.00 1.07 0.00 0.00 42.92 43.74 1pfj s ASP 73 CO -0.27 0.06 0.21 -0.89 1.18 0.00 0.00 175.17 175.46 1pfj s THR 74 N 0.41 3.76 -0.23 -1.27 2.01 -1.26 0.15 115.64 119.22 1pfj s THR 74 Ca -0.09 -1.47 -0.02 0.00 0.31 0.00 0.00 61.69 60.42 1pfj s THR 74 Cb -0.13 -3.20 0.07 0.00 0.01 0.00 0.00 72.50 69.26 1pfj s THR 74 CO 0.02 -0.25 0.05 -0.89 -0.69 0.00 0.00 174.62 172.86 1pfj s THR 75 N -2.27 0.65 -0.08 -0.82 2.01 0.42 -4.91 115.64 110.64 1pfj s THR 75 Ca 0.37 -0.82 0.00 0.00 0.31 0.00 0.00 61.69 61.55 1pfj s THR 75 Cb -0.06 -1.24 -0.03 0.00 0.01 0.00 0.00 72.50 71.19 1pfj s THR 75 CO 0.25 -0.34 -0.07 0.20 -0.69 0.00 0.00 174.62 173.97 1pfj s ASN 76 N 1.78 4.64 0.02 3.53 -0.87 -1.26 -1.22 114.94 121.55 1pfj s ASN 76 Ca 0.02 -0.05 -0.04 0.00 -1.57 0.00 0.00 52.86 51.22 1pfj s ASN 76 Cb -0.17 -1.28 -0.01 0.00 -0.02 0.00 0.00 41.25 39.77 1pfj s ASN 76 CO -0.14 0.33 0.06 -0.36 -2.57 0.00 0.00 177.10 174.42 1pfj s PHE 77 N -0.58 0.16 0.03 2.20 0.08 -0.74 -4.73 117.98 114.39 1pfj s PHE 77 Ca 0.09 -0.36 -0.05 0.00 0.12 0.00 0.00 56.93 56.73 1pfj s PHE 77 Cb -0.12 -0.12 -0.01 0.00 -0.57 0.00 0.00 43.02 42.20 1pfj s PHE 77 CO 0.02 -0.26 0.08 -1.58 -0.10 0.00 0.00 175.22 173.37 1pfj s HIS 78 N -1.64 0.18 -0.03 0.36 5.65 0.31 -1.16 115.29 118.97 1pfj s HIS 78 Ca -0.13 -0.43 0.04 0.00 0.25 0.00 0.00 55.06 54.78 1pfj s HIS 78 Cb -0.07 -0.14 -0.00 0.00 -1.18 0.00 0.00 32.58 31.18 1pfj s HIS 78 CO -0.00 -0.31 -0.15 -0.06 -0.65 0.00 0.00 174.74 173.57 1pfj s PHE 79 N -2.10 1.46 -0.29 3.88 0.40 -1.01 0.26 117.98 120.59 1pfj s PHE 79 Ca -0.09 -0.37 -0.26 0.00 -0.60 0.00 0.00 56.93 55.60 1pfj s PHE 79 Cb -0.04 -0.98 0.18 0.00 0.51 0.00 0.00 43.02 42.69 1pfj s PHE 79 CO -0.02 -0.11 1.36 0.45 0.70 0.00 0.00 175.22 177.60 1pfj s SER 80 N -0.06 -0.10 0.21 1.36 0.15 -1.26 -4.56 113.70 109.44 1pfj s SER 80 Ca -0.01 0.16 -0.03 0.00 0.70 0.00 0.00 55.95 56.78 1pfj s SER 80 Cb -0.09 0.16 0.01 0.00 -1.71 0.00 0.00 66.02 64.39 1pfj s SER 80 CO 0.01 -0.05 0.32 0.59 1.20 0.00 0.00 173.24 175.31 1pfj n ASN 81 N 1.28 -0.91 -0.30 5.45 3.02 -1.26 -4.78 115.26 117.76 1pfj n ASN 81 Ca -0.07 -2.05 0.17 0.00 -0.03 0.00 0.00 54.58 52.59 1pfj n ASN 81 Cb 0.57 1.64 0.43 0.00 -0.61 0.00 0.00 39.78 41.82 1pfj n ASN 81 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1pfj h GLU 82 N 0.00 0.54 0.00 3.52 4.22 -2.02 -3.28 114.58 117.57 1pfj h GLU 82 Ca -0.17 -0.03 -0.03 0.00 0.08 0.00 0.00 59.36 59.22 1pfj h GLU 82 Cb 0.69 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.78 1pfj h GLU 82 CO 0.22 0.36 -0.29 0.43 -2.18 0.00 0.00 179.01 177.55 1pfj n SER 83 N -4.62 -0.02 -0.87 1.04 7.64 -1.26 -4.89 113.62 110.64 1pfj n SER 83 Ca 0.21 -1.53 0.07 0.00 1.01 0.00 0.00 58.87 58.63 1pfj n SER 83 Cb 0.66 -0.07 0.22 0.00 -1.01 0.00 0.00 64.21 64.01 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 0.04 1.45 -2.59 0.44 -1.04 -1.24 -4.68 114.28 106.66 1pfj n THR 84 Ca -0.02 -1.26 -0.43 0.00 -2.04 0.00 0.00 64.05 60.30 1pfj n THR 84 Cb 0.64 0.25 0.01 0.00 -1.82 0.00 0.00 70.33 69.41 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 0.39 5.23 -2.41 2.41 0.00 -1.26 -4.50 120.51 120.37 1pfj n ALA 85 Ca 0.17 -4.47 0.00 0.00 0.00 0.00 0.00 53.44 49.13 1pfj n ALA 85 Cb 0.62 -2.78 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 0.28 0.00 0.00 0.00 177.50 177.78 1pfj n VAL 86 N 2.74 0.00 -0.29 0.00 0.31 -1.26 -4.87 118.33 114.96 1pfj n VAL 86 Ca 0.35 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.68 1pfj n VAL 86 Cb 0.36 0.00 0.04 0.00 -0.91 0.00 0.00 33.84 33.33 1pfj n VAL 86 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1pfj n LYS 87 N 0.00 -0.16 0.00 5.55 5.02 -1.26 0.10 118.16 127.41 1pfj n LYS 87 Ca 0.00 1.16 0.00 0.00 -2.02 0.00 0.00 58.31 57.45 1pfj n LYS 87 Cb 0.00 -1.72 0.00 0.00 -0.02 0.00 0.00 35.03 33.29 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 -5.12 0.00 -0.33 1.97 0.00 -1.26 0.96 120.64 116.85 1pfj n GLU 88 Ca 0.08 0.73 -0.02 0.00 0.00 0.00 0.00 57.16 57.96 1pfj n GLU 88 Cb 0.31 -1.20 0.10 0.00 0.00 0.00 0.00 31.44 30.66 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 1.13 -0.91 3.44 2.47 -1.54 -1.67 114.38 117.30 1pfj h ARG 89 Ca 0.00 -0.07 0.09 0.00 -1.26 0.00 0.00 59.98 58.75 1pfj h ARG 89 Cb 0.00 -0.26 -0.12 0.00 -1.65 0.00 0.00 29.97 27.94 1pfj h ARG 89 CO 0.00 0.75 -0.55 0.22 0.56 0.00 0.00 179.97 180.95 1pfj h ASP 90 N 1.17 -2.00 -0.52 7.04 1.82 0.43 1.43 116.42 125.78 1pfj h ASP 90 Ca 0.34 0.31 -0.02 0.00 -0.39 0.00 0.00 57.03 57.28 1pfj h ASP 90 Cb -0.06 0.90 -0.03 0.00 0.68 0.00 0.00 39.33 40.81 1pfj h ASP 90 CO -0.10 -0.26 0.28 0.00 -1.61 0.00 0.00 179.24 177.55 1pfj h ALA 91 N 0.56 1.44 -0.01 -0.78 0.00 0.13 0.14 119.26 120.75 1pfj h ALA 91 Ca 0.18 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1pfj h ALA 91 Cb 0.47 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1pfj h ALA 91 CO -0.89 0.45 -0.14 0.28 0.00 0.00 0.00 179.25 178.94 1pfj h VAL 92 N 0.78 0.00 -0.58 0.00 2.07 0.28 0.54 116.25 119.33 1pfj h VAL 92 Ca 0.20 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.83 1pfj h VAL 92 Cb 0.07 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 29.73 1pfj h VAL 92 CO -0.03 0.00 -0.05 0.50 0.02 0.00 0.00 177.57 178.01 1pfj h LYS 93 N -0.17 0.07 -0.66 1.57 3.64 -0.86 1.50 116.57 121.65 1pfj h LYS 93 Ca 0.00 -0.00 0.19 0.00 -1.27 0.00 0.00 60.65 59.57 1pfj h LYS 93 Cb 0.19 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.97 1pfj h LYS 93 CO -0.10 0.05 0.90 0.22 -2.27 0.00 0.00 179.45 178.25 1pfj h ASP 94 N 0.07 0.00 0.00 4.20 3.58 0.20 1.73 116.42 126.20 1pfj h ASP 94 Ca 0.29 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.70 1pfj h ASP 94 Cb 0.47 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.51 1pfj h ASP 94 CO -0.53 0.00 -0.25 -0.07 -2.88 0.00 0.00 179.24 175.51 1pfj h LEU 95 N 0.00 0.00 -0.56 2.28 3.38 0.70 -3.14 115.31 117.96 1pfj h LEU 95 Ca 0.31 -0.87 0.05 0.00 0.09 0.00 0.00 57.88 57.47 1pfj h LEU 95 Cb 2.12 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 42.80 1pfj h LEU 95 CO -0.00 1.08 -0.33 0.18 0.09 0.00 0.00 178.44 179.46 1pfj n LEU 96 N -4.58 -0.59 0.00 1.67 4.77 0.58 0.35 117.00 119.20 1pfj n LEU 96 Ca -0.14 1.34 0.05 0.00 -0.03 0.00 0.00 56.01 57.22 1pfj n LEU 96 Cb 0.50 -0.30 0.24 0.00 -2.33 0.00 0.00 43.42 41.54 1pfj n LEU 96 CO 0.30 -0.98 0.56 0.00 -1.33 0.00 0.00 177.39 175.94 1pfj n GLN 97 N -4.28 0.17 0.01 3.23 3.00 -0.77 -1.02 117.38 117.72 1pfj n GLN 97 Ca 0.01 0.15 -0.16 0.00 -0.01 0.00 0.00 57.00 56.98 1pfj n GLN 97 Cb 0.15 -1.50 -0.14 0.00 0.00 0.00 0.00 30.24 28.74 1pfj n GLN 97 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.06 177.43 1pfj h GLN 98 N 0.00 0.18 0.00 -1.09 4.15 0.62 -3.36 115.11 115.62 1pfj h GLN 98 Ca 0.00 -0.31 -0.16 0.00 0.77 0.00 0.00 58.65 58.95 1pfj h GLN 98 Cb 0.06 0.12 -0.03 0.00 0.21 0.00 0.00 27.48 27.84 1pfj h GLN 98 CO 0.00 0.97 -1.27 -0.07 -1.93 0.00 0.00 178.83 176.53 1pfj h LEU 99 N 0.05 0.00 -1.89 -2.39 4.07 -0.04 -3.31 115.31 111.79 1pfj h LEU 99 Ca -0.34 0.00 0.41 0.00 0.08 0.00 0.00 57.88 58.03 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 0.10 0.57 1.08 0.25 -1.08 0.00 0.00 178.44 179.36 1pfj h LEU 100 N 0.00 0.00 0.00 1.67 5.85 -1.22 2.81 115.31 124.43 1pfj h LEU 100 Ca -0.14 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.58 1pfj h LEU 100 Cb 1.56 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.59 1pfj h LEU 100 CO 0.05 0.00 0.00 -2.65 -0.34 0.00 0.00 178.44 175.50 1pfj n PRO 101 N -3.95 0.45 -0.02 5.25 -0.02 -1.25 -1.87 135.00 133.59 1pfj n PRO 101 Ca 0.31 0.04 -0.21 0.00 -2.02 0.00 0.00 63.50 61.62 1pfj n PRO 101 Cb 1.52 -1.50 -0.13 0.00 -0.02 0.00 0.00 33.50 33.37 1pfj n PRO 101 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1pfj h LYS 102 N 0.00 0.18 -0.19 -0.52 1.57 0.48 -3.38 116.57 114.70 1pfj h LYS 102 Ca 0.00 -0.30 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 1pfj h LYS 102 Cb 0.20 0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1pfj h LYS 102 CO 0.00 1.15 0.00 1.97 -0.57 0.00 0.00 179.45 182.00 1pfj n PHE 103 N -4.03 0.24 -3.17 -1.35 -1.74 -1.24 -4.80 117.46 101.37 1pfj n PHE 103 Ca -0.26 -0.16 0.03 0.00 -0.56 0.00 0.00 57.45 56.49 1pfj n PHE 103 Cb 0.84 -0.00 -0.01 0.00 1.52 0.00 0.00 39.48 41.83 1pfj n PHE 103 CO 0.00 0.00 0.00 0.15 -0.56 0.00 0.00 176.76 176.35 1pfj s LYS 104 N -1.32 0.62 0.07 3.97 -0.14 -0.78 -4.92 119.74 117.23 1pfj s LYS 104 Ca 0.26 0.32 -0.31 0.00 -1.36 0.00 0.00 55.97 54.88 1pfj s LYS 104 Cb 0.16 0.18 -0.07 0.00 -1.68 0.00 0.00 37.83 36.42 1pfj s LYS 104 CO 0.23 -1.08 1.43 1.03 -0.76 0.00 0.00 175.35 176.19 1pfj s ARG 105 N 2.57 4.29 -0.22 1.68 0.52 -1.26 -3.84 118.95 122.69 1pfj s ARG 105 Ca 0.11 2.07 -0.17 0.00 -0.52 0.00 0.00 55.73 57.23 1pfj s ARG 105 Cb -0.09 -3.40 -0.13 0.00 0.52 0.00 0.00 34.95 31.85 1pfj s ARG 105 CO -0.21 -0.52 -0.08 1.17 0.02 0.00 0.00 175.30 175.67 1pfj n LYS 106 N 4.63 0.55 -4.43 3.54 0.00 -1.26 -4.98 118.16 116.21 1pfj n LYS 106 Ca 0.13 0.44 -0.24 0.00 0.00 0.00 0.00 58.31 58.63 1pfj n LYS 106 Cb 0.42 -1.63 -0.09 0.00 0.00 0.00 0.00 35.03 33.73 1pfj n LYS 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1pfj s ALA 107 N -2.52 2.87 -1.69 3.14 0.00 -1.26 -5.22 121.76 117.08 1pfj s ALA 107 Ca -0.30 -1.84 0.00 0.00 0.00 0.00 0.00 51.96 49.82 1pfj s ALA 107 Cb 0.08 -0.38 0.00 0.00 0.00 0.00 0.00 23.12 22.82 1pfj s ALA 107 CO 0.48 0.26 0.42 -1.71 0.00 0.00 0.00 175.76 175.22