#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 1.98 -3.62 3.17 0.00 -1.26 -4.98 120.51 115.80 1pfj n ALA 2 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 1pfj n ALA 2 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 1pfj n ALA 2 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1pfj s THR 3 N -1.57 -0.39 -1.46 0.00 2.01 -1.26 -5.04 115.64 107.93 1pfj s THR 3 Ca 0.00 0.21 -0.10 0.00 0.31 0.00 0.00 61.69 62.10 1pfj s THR 3 Cb 0.00 -0.48 0.03 0.00 0.01 0.00 0.00 72.50 72.06 1pfj s THR 3 CO 0.00 0.05 2.45 -1.20 -0.69 0.00 0.00 174.62 175.24 1pfj n SER 4 N 5.34 6.56 -0.20 3.53 7.64 -1.26 -4.88 113.62 130.36 1pfj n SER 4 Ca -0.06 -2.85 0.00 0.00 1.01 0.00 0.00 58.87 56.97 1pfj n SER 4 Cb 0.50 -1.54 0.00 0.00 -1.01 0.00 0.00 64.21 62.16 1pfj n SER 4 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1pfj n SER 5 N 4.01 0.60 -4.72 6.43 7.64 -1.26 -5.06 113.62 121.27 1pfj n SER 5 Ca 0.61 -0.10 -0.36 0.00 1.01 0.00 0.00 58.87 60.03 1pfj n SER 5 Cb 0.30 0.00 0.09 0.00 -1.01 0.00 0.00 64.21 63.59 1pfj n SER 5 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1pfj n GLU 6 N -0.07 0.77 -4.05 1.43 0.28 -1.26 -4.99 120.64 112.76 1pfj n GLU 6 Ca 0.00 0.33 -0.32 0.00 -0.16 0.00 0.00 57.16 57.01 1pfj n GLU 6 Cb 0.00 -2.50 -0.15 0.00 1.43 0.00 0.00 31.44 30.22 1pfj n GLU 6 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 1pfj s GLU 7 N -3.64 2.14 0.16 3.44 2.02 -1.26 -5.10 118.70 116.45 1pfj s GLU 7 Ca 0.79 -1.30 0.01 0.00 0.02 0.00 0.00 54.97 54.50 1pfj s GLU 7 Cb -0.35 -2.84 -0.04 0.00 0.10 0.00 0.00 34.13 31.00 1pfj s GLU 7 CO 0.44 -0.58 0.32 0.14 0.02 0.00 0.00 175.26 175.60 1pfj s VAL 8 N 1.15 5.28 -0.20 2.63 -7.23 -1.26 -3.59 120.40 117.18 1pfj s VAL 8 Ca -0.08 -0.53 0.13 0.00 -1.81 0.00 0.00 61.98 59.69 1pfj s VAL 8 Cb -0.20 -3.73 -0.23 0.00 0.56 0.00 0.00 36.38 32.78 1pfj s VAL 8 CO -0.05 -0.10 0.04 -0.11 -0.31 0.00 0.00 175.10 174.56 1pfj n LEU 9 N -0.51 0.84 -3.61 1.32 7.94 -1.17 -4.82 117.00 117.00 1pfj n LEU 9 Ca -0.06 -0.01 -0.03 0.00 -1.11 0.00 0.00 56.01 54.81 1pfj n LEU 9 Cb 0.54 0.10 -0.02 0.00 0.53 0.00 0.00 43.42 44.57 1pfj n LEU 9 CO 0.49 0.61 1.05 -0.22 -1.11 0.00 0.00 177.39 178.21 1pfj s LEU 10 N -5.81 -0.10 0.00 -1.96 2.96 -0.97 -5.03 118.68 107.77 1pfj s LEU 10 Ca -0.16 -0.02 -0.00 0.00 -0.22 0.00 0.00 54.13 53.72 1pfj s LEU 10 Cb 0.07 1.32 -0.00 0.00 0.50 0.00 0.00 46.19 48.07 1pfj s LEU 10 CO 0.77 -0.20 0.00 -0.51 -1.32 0.00 0.00 176.35 175.09 1pfj s ILE 11 N -2.35 0.02 -0.13 6.68 -1.16 -1.26 0.14 121.20 123.13 1pfj s ILE 11 Ca 0.11 -0.14 -0.06 0.00 -0.51 0.00 0.00 60.65 60.05 1pfj s ILE 11 Cb 0.00 -0.06 -0.04 0.00 0.61 0.00 0.00 42.46 42.97 1pfj s ILE 11 CO -0.04 -0.08 0.07 -0.69 -2.81 0.00 0.00 174.94 171.39 1pfj s VAL 12 N -0.23 4.91 -0.04 4.00 1.01 0.62 -4.95 120.40 125.72 1pfj s VAL 12 Ca -0.03 -0.01 0.03 0.00 0.00 0.00 0.00 61.98 61.98 1pfj s VAL 12 Cb -0.02 -3.14 -0.25 0.00 0.00 0.00 0.00 36.38 32.97 1pfj s VAL 12 CO -0.00 0.56 0.67 0.50 0.00 0.00 0.00 175.10 176.83 1pfj h LYS 13 N 5.59 0.14 -3.52 2.72 1.63 -1.92 0.18 116.57 121.40 1pfj h LYS 13 Ca -0.48 -0.23 -0.58 0.00 -0.85 0.00 0.00 60.65 58.51 1pfj h LYS 13 Cb 1.20 0.09 -0.40 0.00 -0.60 0.00 0.00 32.23 32.51 1pfj h LYS 13 CO 0.61 0.88 -0.76 0.21 -3.45 0.00 0.00 179.45 176.94 1pfj s LYS 14 N -2.60 0.68 0.28 1.90 2.47 -1.26 -3.84 119.74 117.38 1pfj s LYS 14 Ca -0.10 -1.04 0.08 0.00 -1.56 0.00 0.00 55.97 53.35 1pfj s LYS 14 Cb 0.07 -1.94 -0.04 0.00 -1.46 0.00 0.00 37.83 34.46 1pfj s LYS 14 CO 0.82 -0.99 0.13 0.08 0.16 0.00 0.00 175.35 175.55 1pfj s VAL 15 N 1.64 3.72 -0.14 4.02 1.01 0.17 -4.60 120.40 126.23 1pfj s VAL 15 Ca 0.10 -1.64 0.01 0.00 0.00 0.00 0.00 61.98 60.45 1pfj s VAL 15 Cb -0.17 -3.10 0.02 0.00 0.00 0.00 0.00 36.38 33.13 1pfj s VAL 15 CO -0.26 -0.31 -0.16 -0.60 0.00 0.00 0.00 175.10 173.78 1pfj s ARG 16 N -3.80 2.38 0.01 2.72 6.06 0.72 0.88 118.95 127.92 1pfj s ARG 16 Ca 0.34 -0.60 0.05 0.00 -2.50 0.00 0.00 55.73 53.02 1pfj s ARG 16 Cb -0.06 -2.10 -0.02 0.00 0.06 0.00 0.00 34.95 32.83 1pfj s ARG 16 CO 0.23 -0.17 -0.17 1.14 -2.50 0.00 0.00 175.30 173.84 1pfj s GLN 17 N 1.27 1.22 0.53 5.12 -2.07 0.23 0.57 119.66 126.53 1pfj s GLN 17 Ca 0.01 -0.70 0.04 0.00 -1.82 0.00 0.00 55.36 52.88 1pfj s GLN 17 Cb -0.14 -1.23 0.15 0.00 -1.09 0.00 0.00 33.01 30.70 1pfj s GLN 17 CO -0.07 0.32 0.87 1.17 -1.32 0.00 0.00 175.29 176.26 1pfj n LYS 18 N 2.29 0.02 -0.10 9.60 3.00 -1.26 0.02 118.16 131.72 1pfj n LYS 18 Ca -0.16 0.79 -0.19 0.00 -0.00 0.00 0.00 58.31 58.76 1pfj n LYS 18 Cb 0.54 -2.11 -0.08 0.00 0.00 0.00 0.00 35.03 33.38 1pfj n LYS 18 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 1pfj n LYS 19 N -2.29 0.54 -3.98 1.64 2.85 -1.26 -5.06 118.16 110.60 1pfj n LYS 19 Ca 0.04 0.46 -0.09 0.00 -1.05 0.00 0.00 58.31 57.67 1pfj n LYS 19 Cb 0.91 -1.65 -0.05 0.00 -0.65 0.00 0.00 35.03 33.59 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 -2.42 1.50 -0.13 -1.58 -0.21 0.10 -5.13 119.66 111.79 1pfj s GLN 20 Ca -0.28 -1.22 -0.04 0.00 0.02 0.00 0.00 55.36 53.84 1pfj s GLN 20 Cb 0.07 0.46 -0.03 0.00 1.00 0.00 0.00 33.01 34.51 1pfj s GLN 20 CO 0.47 -0.62 0.02 -0.51 -2.12 0.00 0.00 175.29 172.54 1pfj s ASP 21 N -3.01 5.35 0.20 5.90 1.01 -1.26 0.76 116.67 125.63 1pfj s ASP 21 Ca 0.21 0.10 -0.23 0.00 0.71 0.00 0.00 52.55 53.35 1pfj s ASP 21 Cb -0.00 -1.71 0.05 0.00 1.01 0.00 0.00 42.92 42.27 1pfj s ASP 21 CO 0.07 0.29 0.74 -0.83 0.21 0.00 0.00 175.17 175.65 1pfj s GLY 22 N -0.34 -0.30 0.15 0.21 0.00 0.25 -4.89 107.32 102.40 1pfj s GLY 22 Ca 0.07 0.12 -0.26 0.00 0.00 0.00 0.00 44.72 44.65 1pfj s GLY 22 CO 0.02 0.04 0.80 0.00 0.00 0.00 0.00 173.10 173.96 1pfj s ALA 23 N -3.70 3.41 -0.12 3.20 0.00 0.18 0.45 121.76 125.18 1pfj s ALA 23 Ca 0.08 0.38 -0.03 0.00 0.00 0.00 0.00 51.96 52.40 1pfj s ALA 23 Cb -0.03 -3.01 -0.03 0.00 0.00 0.00 0.00 23.12 20.05 1pfj s ALA 23 CO -0.01 0.23 -0.03 -0.51 0.00 0.00 0.00 175.76 175.44 1pfj s LEU 24 N -0.89 3.36 -0.07 0.00 1.43 0.64 -0.76 118.68 122.39 1pfj s LEU 24 Ca 0.37 -0.02 0.03 0.00 -1.03 0.00 0.00 54.13 53.49 1pfj s LEU 24 Cb -0.23 -1.79 -0.02 0.00 0.03 0.00 0.00 46.19 44.18 1pfj s LEU 24 CO 0.26 0.26 -0.17 -0.31 0.23 0.00 0.00 176.35 176.62 1pfj s TYR 25 N -0.18 2.65 -0.04 0.29 2.02 0.34 0.23 117.35 122.66 1pfj s TYR 25 Ca 0.04 -0.43 0.06 0.00 -0.37 0.00 0.00 57.07 56.36 1pfj s TYR 25 Cb -0.13 -1.67 -0.02 0.00 -0.40 0.00 0.00 41.96 39.74 1pfj s TYR 25 CO 0.02 -0.03 -0.21 -1.17 -1.57 0.00 0.00 175.55 172.60 1pfj s LEU 26 N -0.31 2.36 0.04 -1.29 0.20 0.37 0.94 118.68 120.99 1pfj s LEU 26 Ca 0.02 -0.35 0.02 0.00 0.69 0.00 0.00 54.13 54.50 1pfj s LEU 26 Cb -0.13 -1.44 -0.02 0.00 -0.43 0.00 0.00 46.19 44.17 1pfj s LEU 26 CO 0.03 0.32 -0.07 -0.32 -0.29 0.00 0.00 176.35 176.02 1pfj s MET 27 N -0.60 0.49 0.16 1.98 -2.45 0.26 -2.29 119.30 116.87 1pfj s MET 27 Ca 0.09 -0.76 -0.23 0.00 -1.25 0.00 0.00 55.69 53.54 1pfj s MET 27 Cb -0.11 -0.19 0.04 0.00 1.25 0.00 0.00 34.83 35.83 1pfj s MET 27 CO 0.00 0.02 1.36 0.00 1.05 0.00 0.00 175.02 177.45 1pfj n ALA 28 N 1.40 -0.39 0.79 4.11 0.00 -1.24 -0.74 120.51 124.45 1pfj n ALA 28 Ca -0.22 0.80 0.12 0.00 0.00 0.00 0.00 53.44 54.14 1pfj n ALA 28 Cb 0.55 -0.23 0.28 0.00 0.00 0.00 0.00 19.45 20.05 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 -5.17 0.14 -3.68 0.00 4.07 -1.26 -4.83 120.64 109.90 1pfj n GLU 29 Ca 0.05 0.05 -0.07 0.00 -0.06 0.00 0.00 57.16 57.13 1pfj n GLU 29 Cb 0.28 -1.60 -0.02 0.00 -0.06 0.00 0.00 31.44 30.04 1pfj n GLU 29 CO 0.00 0.00 0.00 -0.98 -0.06 0.00 0.00 177.13 176.09 1pfj s ARG 30 N -3.08 1.34 -0.14 5.31 1.70 0.08 0.90 118.95 125.07 1pfj s ARG 30 Ca 0.09 -0.67 -0.03 0.00 -0.47 0.00 0.00 55.73 54.66 1pfj s ARG 30 Cb 0.16 0.50 -0.03 0.00 -0.57 0.00 0.00 34.95 35.01 1pfj s ARG 30 CO 0.68 -0.61 -0.05 0.42 -1.08 0.00 0.00 175.30 174.66 1pfj s ILE 31 N -3.55 3.76 0.10 4.99 -1.09 -0.44 0.93 121.20 125.90 1pfj s ILE 31 Ca 0.08 -0.41 0.10 0.00 -2.23 0.00 0.00 60.65 58.20 1pfj s ILE 31 Cb -0.03 -2.63 -0.04 0.00 -1.58 0.00 0.00 42.46 38.19 1pfj s ILE 31 CO -0.01 0.51 -0.27 0.00 -1.23 0.00 0.00 174.94 173.94 1pfj s ALA 32 N 0.20 2.33 -0.04 9.38 0.00 0.27 -0.27 121.76 133.63 1pfj s ALA 32 Ca -0.03 -1.40 0.05 0.00 0.00 0.00 0.00 51.96 50.57 1pfj s ALA 32 Cb -0.14 -0.41 -0.01 0.00 0.00 0.00 0.00 23.12 22.56 1pfj s ALA 32 CO 0.03 0.54 -0.18 -0.46 0.00 0.00 0.00 175.76 175.68 1pfj s TRP 33 N -0.98 1.78 0.19 0.00 -0.00 -0.36 0.13 118.94 119.69 1pfj s TRP 33 Ca 0.13 -0.47 -0.14 0.00 -0.00 0.00 0.00 56.10 55.62 1pfj s TRP 33 Cb -0.10 -1.18 0.01 0.00 -0.00 0.00 0.00 33.47 32.20 1pfj s TRP 33 CO 0.05 -0.13 0.44 0.00 -0.00 0.00 0.00 176.95 177.30 1pfj s ALA 34 N -0.11 -0.56 0.00 5.86 0.00 0.06 0.30 121.76 127.32 1pfj s ALA 34 Ca -0.01 -0.50 0.00 0.00 0.00 0.00 0.00 51.96 51.45 1pfj s ALA 34 Cb -0.11 0.86 0.00 0.00 0.00 0.00 0.00 23.12 23.88 1pfj s ALA 34 CO 0.02 -0.75 0.00 -0.35 0.00 0.00 0.00 175.76 174.67 1pfj n PRO 35 N -0.30 3.42 -3.72 0.00 -0.04 -1.24 0.48 135.00 133.60 1pfj n PRO 35 Ca -0.08 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.09 1pfj n PRO 35 Cb 0.63 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.97 1pfj n PRO 35 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 1pfj s GLU 36 N 2.55 1.70 0.00 0.54 -1.05 -1.26 -4.74 118.70 116.44 1pfj s GLU 36 Ca 0.00 -2.61 0.00 0.00 -0.15 0.00 0.00 54.97 52.21 1pfj s GLU 36 Cb 0.00 -2.60 0.00 0.00 -0.44 0.00 0.00 34.13 31.09 1pfj s GLU 36 CO 0.00 -1.27 0.00 0.41 0.95 0.00 0.00 175.26 175.35 1pfj n GLY 37 N 2.71 3.55 1.94 -3.83 0.00 -1.26 -4.98 105.19 103.32 1pfj n GLY 37 Ca 0.18 -0.25 -0.17 0.00 0.00 0.00 0.00 46.02 45.78 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 1.84 -3.64 1.61 2.85 -1.26 -4.67 118.16 114.88 1pfj n LYS 38 Ca 0.00 -1.59 -0.06 0.00 -1.05 0.00 0.00 58.31 55.61 1pfj n LYS 38 Cb 0.00 -1.65 -0.07 0.00 -0.65 0.00 0.00 35.03 32.66 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 0.26 -0.71 0.00 -5.58 1.01 -1.26 -5.14 116.67 105.24 1pfj s ASP 39 Ca 0.33 1.18 0.00 0.00 0.71 0.00 0.00 52.55 54.77 1pfj s ASP 39 Cb 0.25 1.27 0.00 0.00 1.01 0.00 0.00 42.92 45.45 1pfj s ASP 39 CO -0.02 -0.19 0.00 -2.11 0.21 0.00 0.00 175.17 173.06 1pfj n ARG 40 N 3.67 0.00 -1.50 8.23 1.85 -1.26 -4.33 116.66 123.31 1pfj n ARG 40 Ca -0.18 0.00 -0.29 0.00 -1.00 0.00 0.00 57.85 56.38 1pfj n ARG 40 Cb 0.58 0.00 -0.19 0.00 -1.05 0.00 0.00 32.46 31.80 1pfj n ARG 40 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1pfj n PHE 41 N 0.00 0.30 0.04 2.89 3.72 -1.26 -3.67 117.46 119.48 1pfj n PHE 41 Ca 0.00 0.14 -0.02 0.00 -0.05 0.00 0.00 57.45 57.52 1pfj n PHE 41 Cb 0.00 -1.35 -0.08 0.00 -0.94 0.00 0.00 39.48 37.11 1pfj n PHE 41 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1pfj h THR 42 N 7.42 0.79 -4.05 4.37 1.03 0.42 -3.48 112.91 119.41 1pfj h THR 42 Ca -0.00 -2.37 -0.19 0.00 -0.01 0.00 0.00 66.41 63.84 1pfj h THR 42 Cb 1.19 2.29 -0.15 0.00 -1.07 0.00 0.00 68.15 70.41 1pfj h THR 42 CO 1.50 0.45 -0.68 -0.51 -0.01 0.00 0.00 175.52 176.27 1pfj s ILE 43 N -2.83 0.43 -0.30 0.00 2.07 0.30 -4.85 121.20 116.03 1pfj s ILE 43 Ca -0.02 -1.89 -0.05 0.00 -1.41 0.00 0.00 60.65 57.28 1pfj s ILE 43 Cb 0.08 -1.74 0.19 0.00 0.13 0.00 0.00 42.46 41.13 1pfj s ILE 43 CO 0.80 -0.80 0.86 -0.94 -1.91 0.00 0.00 174.94 172.95 1pfj s SER 44 N -3.02 -0.89 -0.23 4.50 1.04 -1.23 -1.23 113.70 112.64 1pfj s SER 44 Ca 0.14 0.21 -0.05 0.00 0.48 0.00 0.00 55.95 56.72 1pfj s SER 44 Cb 0.07 1.61 -0.02 0.00 0.10 0.00 0.00 66.02 67.78 1pfj s SER 44 CO -0.04 -0.16 0.01 -1.00 0.98 0.00 0.00 173.24 173.02 1pfj s HIS 45 N 2.91 3.01 -0.21 5.02 0.09 0.63 -4.89 115.29 121.85 1pfj s HIS 45 Ca 0.17 -0.71 -0.29 0.00 -0.00 0.00 0.00 55.06 54.23 1pfj s HIS 45 Cb -0.07 -2.16 -0.03 0.00 -0.00 0.00 0.00 32.58 30.32 1pfj s HIS 45 CO -0.22 -0.46 1.64 -1.64 -0.00 0.00 0.00 174.74 174.06 1pfj s MET 46 N 1.53 3.80 0.33 1.40 -1.94 -1.26 -1.32 119.30 121.84 1pfj s MET 46 Ca 0.06 1.71 0.10 0.00 -1.71 0.00 0.00 55.69 55.85 1pfj s MET 46 Cb -0.15 -4.04 1.00 0.00 2.01 0.00 0.00 34.83 33.65 1pfj s MET 46 CO -0.00 -1.29 1.58 1.88 -0.01 0.00 0.00 175.02 177.18 1pfj h TYR 47 N 10.78 0.35 -0.30 -0.03 0.05 0.22 2.30 116.97 130.35 1pfj h TYR 47 Ca -0.34 0.06 -0.14 0.00 0.05 0.00 0.00 58.73 58.35 1pfj h TYR 47 Cb 1.16 0.01 -0.01 0.00 1.01 0.00 0.00 36.73 38.90 1pfj h TYR 47 CO 0.91 -0.43 -0.38 0.00 -1.05 0.00 0.00 178.16 177.21 1pfj h ALA 48 N 1.98 0.78 0.00 3.88 0.00 -1.90 -1.41 119.26 122.58 1pfj h ALA 48 Ca 0.70 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1pfj h ALA 48 Cb 1.64 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.32 1pfj h ALA 48 CO -0.84 0.65 0.00 -0.25 0.00 0.00 0.00 179.25 178.81 1pfj n ASP 49 N -4.04 0.00 -3.87 0.00 9.92 0.74 -4.54 116.55 114.76 1pfj n ASP 49 Ca -0.02 -0.02 -0.13 0.00 -0.53 0.00 0.00 54.79 54.09 1pfj n ASP 49 Cb 0.52 -0.17 -0.14 0.00 -0.64 0.00 0.00 41.12 40.69 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 -2.33 0.08 -0.26 0.53 -4.36 0.57 -3.72 121.20 111.71 1pfj s ILE 50 Ca 0.10 -0.01 -0.02 0.00 -0.26 0.00 0.00 60.65 60.46 1pfj s ILE 50 Cb 0.06 -0.10 0.12 0.00 1.25 0.00 0.00 42.46 43.79 1pfj s ILE 50 CO 0.12 0.04 0.28 -0.75 0.24 0.00 0.00 174.94 174.87 1pfj s LYS 51 N 0.16 0.29 0.00 0.37 2.36 0.54 -4.75 119.74 118.71 1pfj s LYS 51 Ca -0.01 0.03 0.00 0.00 -2.55 0.00 0.00 55.97 53.44 1pfj s LYS 51 Cb -0.03 -0.79 0.00 0.00 -1.05 0.00 0.00 37.83 35.97 1pfj s LYS 51 CO -0.00 -0.88 0.00 0.00 1.55 0.00 0.00 175.35 176.01 1pfj s GLN 53 N -0.20 0.07 -0.18 0.00 1.11 -1.26 -1.41 119.66 117.78 1pfj s GLN 53 Ca 0.00 0.52 0.01 0.00 0.01 0.00 0.00 55.36 55.90 1pfj s GLN 53 Cb 0.00 -0.22 0.03 0.00 -1.01 0.00 0.00 33.01 31.81 1pfj s GLN 53 CO 0.00 -0.26 -0.15 0.21 0.01 0.00 0.00 175.29 175.11 1pfj s LYS 54 N 1.92 2.43 -0.42 2.91 2.20 -0.06 -5.02 119.74 123.70 1pfj s LYS 54 Ca -0.01 -0.76 -0.07 0.00 -0.36 0.00 0.00 55.97 54.76 1pfj s LYS 54 Cb -0.12 -2.37 0.09 0.00 -1.51 0.00 0.00 37.83 33.92 1pfj s LYS 54 CO -0.06 -0.30 0.24 0.42 -0.36 0.00 0.00 175.35 175.29 1pfj s ILE 55 N 1.38 3.89 -0.34 5.43 -1.09 -1.26 -2.89 121.20 126.31 1pfj s ILE 55 Ca 0.02 -1.64 0.06 0.00 -2.23 0.00 0.00 60.65 56.87 1pfj s ILE 55 Cb -0.14 -3.47 0.46 0.00 -1.58 0.00 0.00 42.46 37.72 1pfj s ILE 55 CO -0.10 -0.57 1.31 -1.20 -1.23 0.00 0.00 174.94 173.15 1pfj n SER 56 N 4.81 5.20 -1.43 3.58 7.64 -1.25 -4.72 113.62 127.44 1pfj n SER 56 Ca -0.08 -3.76 -0.01 0.00 1.01 0.00 0.00 58.87 56.03 1pfj n SER 56 Cb 0.42 -0.44 0.10 0.00 -1.01 0.00 0.00 64.21 63.28 1pfj n SER 56 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1pfj n PRO 57 N -0.75 1.50 -0.08 1.43 -0.04 -1.26 -4.54 135.00 131.25 1pfj n PRO 57 Ca 0.46 -3.10 -0.13 0.00 -0.04 0.00 0.00 63.50 60.69 1pfj n PRO 57 Cb 0.92 -1.25 -0.05 0.00 -0.04 0.00 0.00 33.50 33.08 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 1.44 0.63 -1.36 0.54 -0.00 -1.95 -3.36 114.58 110.51 1pfj h GLU 58 Ca -0.02 -0.33 -0.40 0.00 -0.00 0.00 0.00 59.36 58.61 1pfj h GLU 58 Cb 1.40 0.01 -0.36 0.00 -0.00 0.00 0.00 28.75 29.81 1pfj h GLU 58 CO 0.19 0.93 -1.06 0.41 -0.00 0.00 0.00 179.01 179.48 1pfj n GLY 59 N 0.16 2.52 0.00 1.06 0.00 -1.26 -5.10 105.19 102.58 1pfj n GLY 59 Ca -0.04 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.69 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 2.20 0.00 1.61 5.02 -1.26 -5.04 118.16 120.82 1pfj n LYS 60 Ca 0.17 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.46 1pfj n LYS 60 Cb 0.72 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.73 1pfj n LYS 60 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pfj n ALA 61 N -3.00 0.00 -2.65 7.82 0.00 -1.26 -4.57 120.51 116.85 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 0.39 0.07 0.00 0.00 0.00 0.00 19.45 19.91 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 -2.33 0.79 -1.54 0.00 0.00 -1.26 -5.06 118.16 108.76 1pfj n LYS 62 Ca 0.00 -1.13 -0.00 0.00 -0.00 0.00 0.00 58.31 57.18 1pfj n LYS 62 Cb 0.00 0.08 0.00 0.00 -0.00 0.00 0.00 35.03 35.11 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 -0.71 -2.26 -4.97 0.58 3.06 -1.26 -4.20 119.36 109.60 1pfj n ILE 63 Ca -0.13 0.03 -0.28 0.00 -2.50 0.00 0.00 62.75 59.87 1pfj n ILE 63 Cb 0.75 -4.09 -0.17 0.00 0.54 0.00 0.00 39.64 36.68 1pfj n ILE 63 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1pfj s GLN 64 N -0.71 2.28 0.22 9.51 -2.07 -1.26 -3.05 119.66 124.57 1pfj s GLN 64 Ca 0.00 -0.70 0.05 0.00 -1.82 0.00 0.00 55.36 52.89 1pfj s GLN 64 Cb -0.00 -1.85 -0.05 0.00 -1.09 0.00 0.00 33.01 30.02 1pfj s GLN 64 CO 0.02 0.20 -0.04 -0.48 -1.32 0.00 0.00 175.29 173.67 1pfj s LEU 65 N 0.23 2.34 -0.13 2.60 -0.00 -0.18 -3.93 118.68 119.61 1pfj s LEU 65 Ca -0.11 -1.15 -0.06 0.00 -0.00 0.00 0.00 54.13 52.81 1pfj s LEU 65 Cb -0.15 -0.38 0.06 0.00 -0.00 0.00 0.00 46.19 45.72 1pfj s LEU 65 CO 0.05 -0.42 0.30 -1.10 -0.00 0.00 0.00 176.35 175.18 1pfj s GLN 66 N -3.80 0.23 0.11 1.48 -0.21 -1.14 -1.48 119.66 114.85 1pfj s GLN 66 Ca 0.26 0.70 0.05 0.00 0.02 0.00 0.00 55.36 56.39 1pfj s GLN 66 Cb 0.04 -0.03 -0.04 0.00 1.00 0.00 0.00 33.01 33.99 1pfj s GLN 66 CO 0.07 -0.21 -0.13 -1.17 -2.12 0.00 0.00 175.29 171.73 1pfj s LEU 67 N 1.82 2.40 0.17 2.90 0.20 -0.13 -0.88 118.68 125.16 1pfj s LEU 67 Ca -0.05 -0.81 0.07 0.00 0.69 0.00 0.00 54.13 54.03 1pfj s LEU 67 Cb -0.11 -0.47 -0.04 0.00 -0.43 0.00 0.00 46.19 45.14 1pfj s LEU 67 CO -0.10 -0.18 -0.15 -0.69 -0.29 0.00 0.00 176.35 174.94 1pfj s VAL 68 N -2.23 1.57 0.22 1.68 1.01 -0.50 0.18 120.40 122.33 1pfj s VAL 68 Ca 0.08 -2.00 -0.14 0.00 0.00 0.00 0.00 61.98 59.91 1pfj s VAL 68 Cb -0.04 -1.84 -0.08 0.00 0.00 0.00 0.00 36.38 34.42 1pfj s VAL 68 CO 0.02 -0.51 0.63 -0.76 0.00 0.00 0.00 175.10 174.48 1pfj s LEU 69 N -2.93 4.23 0.53 3.92 2.01 0.39 0.20 118.68 127.03 1pfj s LEU 69 Ca 0.17 1.16 0.36 0.00 0.01 0.00 0.00 54.13 55.83 1pfj s LEU 69 Cb -0.02 -3.63 1.53 0.00 0.01 0.00 0.00 46.19 44.07 1pfj s LEU 69 CO 0.05 -0.03 1.76 0.45 1.01 0.00 0.00 176.35 179.59 1pfj h HIS 70 N 2.97 0.09 -0.42 0.29 3.86 -1.81 -3.36 115.15 116.77 1pfj h HIS 70 Ca -0.48 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.74 1pfj h HIS 70 Cb 1.18 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 29.63 1pfj h HIS 70 CO 0.63 -0.00 0.00 0.00 0.86 0.00 0.00 177.93 179.42 1pfj n ALA 71 N -2.75 0.00 -2.31 2.45 0.00 -1.26 -4.93 120.51 111.71 1pfj n ALA 71 Ca 0.29 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.39 1pfj n ALA 71 Cb 1.32 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.79 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 4.69 5.78 3.04 0.00 0.00 -1.26 -4.94 105.19 112.51 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 -2.26 1.84 0.33 1.61 1.01 -1.26 -4.98 116.67 112.96 1pfj s ASP 73 Ca 0.49 -0.31 0.08 0.00 0.71 0.00 0.00 52.55 53.51 1pfj s ASP 73 Cb 0.38 -0.81 -0.03 0.00 1.01 0.00 0.00 42.92 43.47 1pfj s ASP 73 CO -0.27 0.05 0.23 -0.89 0.21 0.00 0.00 175.17 174.50 1pfj s THR 74 N 0.57 3.44 -0.21 -1.27 2.01 -1.26 0.15 115.64 119.07 1pfj s THR 74 Ca -0.13 -1.49 -0.01 0.00 0.31 0.00 0.00 61.69 60.37 1pfj s THR 74 Cb -0.15 -3.13 0.06 0.00 0.01 0.00 0.00 72.50 69.29 1pfj s THR 74 CO 0.04 -0.20 -0.00 -0.89 -0.69 0.00 0.00 174.62 172.88 1pfj s THR 75 N -2.33 0.96 -0.08 -0.82 2.01 0.49 -4.90 115.64 110.96 1pfj s THR 75 Ca 0.39 -0.85 -0.00 0.00 0.31 0.00 0.00 61.69 61.54 1pfj s THR 75 Cb -0.05 -1.37 -0.03 0.00 0.01 0.00 0.00 72.50 71.06 1pfj s THR 75 CO 0.25 -0.16 -0.06 0.20 -0.69 0.00 0.00 174.62 174.16 1pfj s ASN 76 N 1.66 4.74 -0.02 3.53 -0.87 -1.26 -0.96 114.94 121.76 1pfj s ASN 76 Ca -0.03 -0.02 -0.04 0.00 -1.57 0.00 0.00 52.86 51.20 1pfj s ASN 76 Cb -0.18 -1.31 0.00 0.00 -0.02 0.00 0.00 41.25 39.74 1pfj s ASN 76 CO -0.07 0.33 0.09 -0.36 -2.57 0.00 0.00 177.10 174.52 1pfj s PHE 77 N -0.62 -0.01 0.05 2.20 0.08 -0.55 -4.51 117.98 114.63 1pfj s PHE 77 Ca 0.10 0.03 -0.07 0.00 0.12 0.00 0.00 56.93 57.11 1pfj s PHE 77 Cb -0.12 -0.02 -0.01 0.00 -0.57 0.00 0.00 43.02 42.30 1pfj s PHE 77 CO 0.02 -0.14 0.13 -1.58 -0.10 0.00 0.00 175.22 173.55 1pfj s HIS 78 N -0.60 0.19 -0.04 0.36 5.65 0.19 -1.01 115.29 120.03 1pfj s HIS 78 Ca -0.07 -0.53 -0.08 0.00 0.25 0.00 0.00 55.06 54.62 1pfj s HIS 78 Cb -0.04 -0.12 0.01 0.00 -1.18 0.00 0.00 32.58 31.25 1pfj s HIS 78 CO 0.00 -0.43 0.20 -0.06 -0.65 0.00 0.00 174.74 173.80 1pfj s PHE 79 N -3.10 -0.11 -0.29 3.88 0.40 -1.17 0.26 117.98 117.84 1pfj s PHE 79 Ca -0.01 0.23 -0.26 0.00 -0.60 0.00 0.00 56.93 56.29 1pfj s PHE 79 Cb 0.02 0.03 0.18 0.00 0.51 0.00 0.00 43.02 43.76 1pfj s PHE 79 CO -0.07 -0.23 1.37 0.45 0.70 0.00 0.00 175.22 177.45 1pfj s SER 80 N -0.73 -0.10 0.34 1.36 0.15 -1.26 -4.56 113.70 108.90 1pfj s SER 80 Ca -0.08 0.18 -0.06 0.00 0.70 0.00 0.00 55.95 56.69 1pfj s SER 80 Cb -0.05 0.18 0.01 0.00 -1.71 0.00 0.00 66.02 64.45 1pfj s SER 80 CO 0.01 -0.04 0.53 0.20 1.20 0.00 0.00 173.24 175.14 1pfj s ASN 81 N -0.17 0.64 0.36 5.45 0.01 -1.26 -4.79 114.94 115.19 1pfj s ASN 81 Ca 0.07 -1.36 0.16 0.00 -0.71 0.00 0.00 52.86 51.02 1pfj s ASN 81 Cb -0.04 0.69 1.08 0.00 0.41 0.00 0.00 41.25 43.38 1pfj s ASN 81 CO -0.13 -1.35 1.71 -0.08 -1.51 0.00 0.00 177.10 175.75 1pfj h GLU 82 N 2.11 0.38 0.00 -0.60 4.57 -2.03 -3.22 114.58 115.80 1pfj h GLU 82 Ca -0.29 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.87 1pfj h GLU 82 Cb 1.24 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.75 1pfj h GLU 82 CO 0.39 0.25 -0.19 0.43 -1.18 0.00 0.00 179.01 178.71 1pfj n SER 83 N -4.82 0.00 -0.82 1.04 7.64 -1.26 -4.87 113.62 110.53 1pfj n SER 83 Ca 0.29 -1.38 0.07 0.00 1.01 0.00 0.00 58.87 58.86 1pfj n SER 83 Cb 0.94 -0.08 0.24 0.00 -1.01 0.00 0.00 64.21 64.30 1pfj n SER 83 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1pfj n THR 84 N 0.00 2.27 -2.43 0.44 -2.24 -1.21 -4.70 114.28 106.41 1pfj n THR 84 Ca 0.00 -2.04 -0.41 0.00 -2.27 0.00 0.00 64.05 59.33 1pfj n THR 84 Cb 0.58 -0.26 0.01 0.00 -2.10 0.00 0.00 70.33 68.55 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 -0.71 5.97 -2.45 6.98 0.00 -1.26 -4.36 120.51 124.68 1pfj n ALA 85 Ca 0.22 -4.41 0.00 0.00 0.00 0.00 0.00 53.44 49.25 1pfj n ALA 85 Cb 0.88 -2.60 0.00 0.00 0.00 0.00 0.00 19.45 17.72 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 1.61 0.00 -0.25 0.00 0.24 -1.26 -4.92 118.33 113.75 1pfj n VAL 86 Ca 0.46 0.00 0.12 0.00 -2.04 0.00 0.00 64.34 62.89 1pfj n VAL 86 Cb 0.29 0.00 0.24 0.00 -1.47 0.00 0.00 33.84 32.91 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 -0.06 0.00 7.34 4.76 -1.26 0.14 118.16 129.08 1pfj n LYS 87 Ca 0.00 1.08 0.00 0.00 -2.87 0.00 0.00 58.31 56.52 1pfj n LYS 87 Cb 0.00 -1.74 0.00 0.00 -1.84 0.00 0.00 35.03 31.45 1pfj n LYS 87 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 1pfj n GLU 88 N -4.96 0.00 0.22 1.97 0.00 -1.26 0.25 120.64 116.87 1pfj n GLU 88 Ca 0.19 0.74 -0.15 0.00 0.00 0.00 0.00 57.16 57.93 1pfj n GLU 88 Cb 0.61 -1.37 -0.08 0.00 0.00 0.00 0.00 31.44 30.60 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 -0.53 0.00 3.44 2.47 -0.86 -1.19 114.38 117.70 1pfj h ARG 89 Ca 0.00 0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.76 1pfj h ARG 89 Cb 0.00 0.12 0.00 0.00 -1.65 0.00 0.00 29.97 28.44 1pfj h ARG 89 CO 0.00 -0.26 0.24 -3.47 0.56 0.00 0.00 179.97 177.04 1pfj n ASP 90 N -5.26 0.14 -0.08 7.04 -0.08 0.37 -0.02 116.55 118.66 1pfj n ASP 90 Ca -0.11 0.41 -0.14 0.00 -1.51 0.00 0.00 54.79 53.44 1pfj n ASP 90 Cb 0.27 -0.39 -0.14 0.00 2.34 0.00 0.00 41.12 43.21 1pfj n ASP 90 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1pfj n ALA 91 N -1.41 1.38 -0.10 -1.67 0.00 0.69 -1.56 120.51 117.83 1pfj n ALA 91 Ca -0.00 -1.04 -0.14 0.00 0.00 0.00 0.00 53.44 52.26 1pfj n ALA 91 Cb 0.25 -0.36 -0.03 0.00 0.00 0.00 0.00 19.45 19.31 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 0.01 1.27 0.78 0.00 -1.51 0.44 0.16 116.25 117.40 1pfj h VAL 92 Ca -0.49 -1.63 -0.04 0.00 -1.23 0.00 0.00 66.70 63.31 1pfj h VAL 92 Cb 2.06 1.50 0.01 0.00 -2.13 0.00 0.00 31.29 32.73 1pfj h VAL 92 CO 0.01 0.54 -0.37 0.50 -1.23 0.00 0.00 177.57 177.02 1pfj h LYS 93 N 0.72 -1.00 -0.61 5.19 3.64 -1.09 0.81 116.57 124.23 1pfj h LYS 93 Ca 0.04 0.07 0.18 0.00 -1.27 0.00 0.00 60.65 59.66 1pfj h LYS 93 Cb 1.06 0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 33.08 1pfj h LYS 93 CO 0.11 -0.67 0.98 0.22 -2.27 0.00 0.00 179.45 177.82 1pfj h ASP 94 N -1.20 0.00 0.09 4.20 3.58 -1.13 1.74 116.42 123.70 1pfj h ASP 94 Ca -0.11 0.00 -0.31 0.00 0.42 0.00 0.00 57.03 57.03 1pfj h ASP 94 Cb 0.80 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.83 1pfj h ASP 94 CO 0.17 0.00 -1.68 -0.07 -2.88 0.00 0.00 179.24 174.78 1pfj h LEU 95 N 0.00 0.29 -0.90 2.28 3.38 0.85 -3.31 115.31 117.90 1pfj h LEU 95 Ca 0.29 -0.80 0.09 0.00 0.09 0.00 0.00 57.88 57.55 1pfj h LEU 95 Cb 2.25 -0.10 -0.12 0.00 0.09 0.00 0.00 40.66 42.79 1pfj h LEU 95 CO -0.00 1.71 -0.56 -0.07 0.09 0.00 0.00 178.44 179.61 1pfj h LEU 96 N -0.31 -2.03 0.00 1.67 3.38 0.95 3.04 115.31 122.01 1pfj h LEU 96 Ca -0.38 0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1pfj h LEU 96 Cb 1.78 0.90 0.00 0.00 0.09 0.00 0.00 40.66 43.43 1pfj h LEU 96 CO -0.00 -0.27 0.00 0.00 0.09 0.00 0.00 178.44 178.26 1pfj n GLN 97 N -5.30 0.40 0.01 1.13 3.00 -0.93 -1.46 117.38 114.23 1pfj n GLN 97 Ca 0.02 0.02 -0.20 0.00 -0.01 0.00 0.00 57.00 56.82 1pfj n GLN 97 Cb 0.29 -1.50 -0.14 0.00 0.00 0.00 0.00 30.24 28.89 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 0.26 0.00 -1.09 4.15 0.54 -3.35 115.11 115.61 1pfj h GLN 98 Ca 0.00 -0.45 -0.10 0.00 0.77 0.00 0.00 58.65 58.88 1pfj h GLN 98 Cb 0.01 0.17 -0.02 0.00 0.21 0.00 0.00 27.48 27.86 1pfj h GLN 98 CO 0.00 1.17 -0.77 -0.07 -1.93 0.00 0.00 178.83 177.24 1pfj h LEU 99 N 0.07 0.00 -0.71 -2.39 4.07 -0.46 -3.33 115.31 112.56 1pfj h LEU 99 Ca -0.40 0.00 0.13 0.00 0.08 0.00 0.00 57.88 57.69 1pfj h LEU 99 Cb 2.04 0.00 -0.13 0.00 1.08 0.00 0.00 40.66 43.65 1pfj h LEU 99 CO 0.10 0.40 -0.27 -0.07 -1.08 0.00 0.00 178.44 177.52 1pfj h LEU 100 N 0.00 -0.98 -1.08 1.67 3.38 -1.39 1.50 115.31 118.41 1pfj h LEU 100 Ca -0.05 0.24 0.29 0.00 0.09 0.00 0.00 57.88 58.45 1pfj h LEU 100 Cb 1.35 0.55 -0.13 0.00 0.09 0.00 0.00 40.66 42.52 1pfj h LEU 100 CO 0.04 -0.28 0.61 -0.65 0.09 0.00 0.00 178.44 178.26 1pfj h PRO 101 N -0.07 0.42 -0.92 1.13 0.11 -1.66 0.31 132.00 131.31 1pfj h PRO 101 Ca 0.30 -0.03 0.21 0.00 0.11 0.00 0.00 66.00 66.59 1pfj h PRO 101 Cb 0.56 -0.09 -0.12 0.00 0.11 0.00 0.00 31.00 31.46 1pfj h PRO 101 CO -0.76 0.28 0.47 -0.22 -0.21 0.00 0.00 178.00 177.56 1pfj h LYS 102 N 0.43 0.51 -0.05 1.05 3.64 0.19 -2.31 116.57 120.04 1pfj h LYS 102 Ca 0.68 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 60.03 1pfj h LYS 102 Cb 1.51 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 33.22 1pfj h LYS 102 CO -0.49 0.34 0.00 1.97 -2.27 0.00 0.00 179.45 179.00 1pfj n PHE 103 N -4.94 0.06 -3.65 1.91 -1.74 -0.24 -4.95 117.46 103.92 1pfj n PHE 103 Ca 0.22 -0.09 -0.01 0.00 -0.56 0.00 0.00 57.45 57.01 1pfj n PHE 103 Cb 0.62 -0.01 -0.04 0.00 1.52 0.00 0.00 39.48 41.57 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 -0.71 0.59 0.00 3.97 -2.85 -0.07 -4.84 119.74 115.83 1pfj s LYS 104 Ca 0.10 1.45 0.00 0.00 -1.00 0.00 0.00 55.97 56.52 1pfj s LYS 104 Cb 0.07 0.84 0.00 0.00 -2.06 0.00 0.00 37.83 36.68 1pfj s LYS 104 CO 0.10 -0.20 0.00 2.89 0.10 0.00 0.00 175.35 178.24 1pfj n ARG 105 N 5.39 0.00 0.00 1.78 1.85 -1.25 -3.33 116.66 121.09 1pfj n ARG 105 Ca -0.12 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.73 1pfj n ARG 105 Cb 0.50 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.91 1pfj n ARG 105 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 1pfj n LYS 106 N -2.45 0.00 -1.60 2.89 4.81 -1.26 -5.00 118.16 115.55 1pfj n LYS 106 Ca 0.00 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.40 1pfj n LYS 106 Cb 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 35.03 35.04 1pfj n LYS 106 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1pfj n ALA 107 N -1.25 3.29 -1.92 3.14 0.00 -1.26 -5.28 120.51 117.22 1pfj n ALA 107 Ca 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 53.44 52.32 1pfj n ALA 107 Cb 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 19.45 18.91 1pfj n ALA 107 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59