#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pfj s ALA 2 N 0.00 3.63 -0.23 -5.12 0.00 -1.26 -4.87 121.76 113.91 1pfj s ALA 2 Ca 0.00 0.72 -0.13 0.00 0.00 0.00 0.00 51.96 52.56 1pfj s ALA 2 Cb 0.00 -3.68 -0.17 0.00 0.00 0.00 0.00 23.12 19.27 1pfj s ALA 2 CO 0.00 -1.26 -0.03 2.41 0.00 0.00 0.00 175.76 176.88 1pfj n THR 3 N 5.36 1.57 0.55 0.00 -1.04 -1.26 -4.07 114.28 115.38 1pfj n THR 3 Ca 0.15 -0.34 0.08 0.00 -2.04 0.00 0.00 64.05 61.91 1pfj n THR 3 Cb 0.44 -1.84 0.36 0.00 -1.82 0.00 0.00 70.33 67.46 1pfj n THR 3 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1pfj n SER 4 N -4.04 0.06 0.00 8.00 2.88 -1.26 -3.82 113.62 115.44 1pfj n SER 4 Ca -0.42 0.51 0.00 0.00 -1.33 0.00 0.00 58.87 57.63 1pfj n SER 4 Cb 0.86 -0.53 0.00 0.00 -0.75 0.00 0.00 64.21 63.79 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 -1.57 0.00 -4.69 -3.46 7.64 -1.26 -4.60 113.62 105.68 1pfj n SER 5 Ca 0.04 0.68 -0.30 0.00 1.01 0.00 0.00 58.87 60.29 1pfj n SER 5 Cb 0.20 -0.18 0.15 0.00 -1.01 0.00 0.00 64.21 63.36 1pfj n SER 5 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 1pfj s GLU 6 N -1.71 1.24 -0.25 1.43 -1.05 -1.25 -5.01 118.70 112.10 1pfj s GLU 6 Ca 0.00 1.18 0.02 0.00 -0.15 0.00 0.00 54.97 56.03 1pfj s GLU 6 Cb 0.00 -1.78 0.05 0.00 -0.44 0.00 0.00 34.13 31.96 1pfj s GLU 6 CO 0.00 -2.36 -0.12 -1.21 0.95 0.00 0.00 175.26 172.52 1pfj s GLU 7 N -4.77 2.39 0.17 -4.83 2.02 -1.26 -5.01 118.70 107.41 1pfj s GLU 7 Ca 0.64 -1.24 0.01 0.00 0.02 0.00 0.00 54.97 54.40 1pfj s GLU 7 Cb -0.20 -2.83 -0.04 0.00 0.10 0.00 0.00 34.13 31.16 1pfj s GLU 7 CO 0.58 -0.50 0.33 0.14 0.02 0.00 0.00 175.26 175.83 1pfj s VAL 8 N 1.14 5.28 -0.25 2.63 -7.23 -1.26 -3.06 120.40 117.64 1pfj s VAL 8 Ca -0.06 -0.56 -0.03 0.00 -1.81 0.00 0.00 61.98 59.52 1pfj s VAL 8 Cb -0.19 -3.74 -0.17 0.00 0.56 0.00 0.00 36.38 32.85 1pfj s VAL 8 CO -0.06 -0.12 -0.20 -0.11 -0.31 0.00 0.00 175.10 174.29 1pfj n LEU 9 N -0.60 2.68 -3.55 1.32 7.94 -1.19 -4.70 117.00 118.91 1pfj n LEU 9 Ca -0.06 0.02 -0.07 0.00 -1.11 0.00 0.00 56.01 54.79 1pfj n LEU 9 Cb 0.54 -0.91 -0.02 0.00 0.53 0.00 0.00 43.42 43.56 1pfj n LEU 9 CO 0.49 0.83 0.83 -0.22 -1.11 0.00 0.00 177.39 178.20 1pfj s LEU 10 N -6.83 -0.26 0.00 -1.96 0.20 -0.88 -5.03 118.68 103.92 1pfj s LEU 10 Ca -0.35 -0.01 -0.00 0.00 0.69 0.00 0.00 54.13 54.46 1pfj s LEU 10 Cb 0.10 1.75 -0.01 0.00 -0.43 0.00 0.00 46.19 47.61 1pfj s LEU 10 CO 0.59 -0.46 -0.00 -0.51 -0.29 0.00 0.00 176.35 175.68 1pfj s ILE 11 N -2.82 0.03 -0.10 6.68 -1.16 -1.26 0.10 121.20 122.67 1pfj s ILE 11 Ca 0.07 -0.27 0.02 0.00 -0.51 0.00 0.00 60.65 59.96 1pfj s ILE 11 Cb -0.01 -0.09 0.01 0.00 0.61 0.00 0.00 42.46 42.98 1pfj s ILE 11 CO -0.07 -0.15 -0.15 -0.69 -2.81 0.00 0.00 174.94 171.07 1pfj s VAL 12 N -0.44 1.46 0.00 4.00 1.01 0.17 -4.93 120.40 121.67 1pfj s VAL 12 Ca -0.05 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.30 1pfj s VAL 12 Cb -0.03 -1.33 0.00 0.00 0.00 0.00 0.00 36.38 35.02 1pfj s VAL 12 CO -0.00 0.43 0.18 0.29 0.00 0.00 0.00 175.10 176.00 1pfj n LYS 13 N 4.09 0.00 -1.66 2.72 4.76 -1.26 -0.14 118.16 126.67 1pfj n LYS 13 Ca -0.20 0.00 -0.54 0.00 -2.87 0.00 0.00 58.31 54.70 1pfj n LYS 13 Cb 0.51 -0.62 -0.06 0.00 -1.84 0.00 0.00 35.03 33.03 1pfj n LYS 13 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1pfj n LYS 14 N -0.37 1.31 -3.73 1.97 3.00 -1.26 -2.30 118.16 116.77 1pfj n LYS 14 Ca 0.00 0.48 -0.14 0.00 -0.00 0.00 0.00 58.31 58.65 1pfj n LYS 14 Cb 0.00 -2.17 -0.08 0.00 0.00 0.00 0.00 35.03 32.78 1pfj n LYS 14 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1pfj s VAL 15 N 2.29 0.05 -0.10 3.15 1.01 0.12 -4.72 120.40 122.20 1pfj s VAL 15 Ca 0.91 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 62.46 1pfj s VAL 15 Cb -0.97 -0.70 0.02 0.00 0.00 0.00 0.00 36.38 34.72 1pfj s VAL 15 CO 0.56 -0.25 -0.14 -0.60 0.00 0.00 0.00 175.10 174.67 1pfj s ARG 16 N -1.51 2.04 -0.04 2.72 6.06 0.50 0.13 118.95 128.85 1pfj s ARG 16 Ca -0.12 -0.49 0.03 0.00 -2.50 0.00 0.00 55.73 52.65 1pfj s ARG 16 Cb -0.04 -1.77 0.00 0.00 0.06 0.00 0.00 34.95 33.21 1pfj s ARG 16 CO 0.04 -0.08 -0.12 1.14 -2.50 0.00 0.00 175.30 173.78 1pfj s GLN 17 N 1.04 1.41 0.51 5.12 -2.07 0.14 0.66 119.66 126.46 1pfj s GLN 17 Ca -0.06 -0.42 0.14 0.00 -1.82 0.00 0.00 55.36 53.20 1pfj s GLN 17 Cb -0.15 -1.24 0.47 0.00 -1.09 0.00 0.00 33.01 31.01 1pfj s GLN 17 CO -0.02 0.12 0.96 1.63 -1.32 0.00 0.00 175.29 176.67 1pfj n LYS 18 N 3.42 0.02 -0.01 9.60 4.01 -1.26 0.12 118.16 134.05 1pfj n LYS 18 Ca -0.20 0.81 -0.08 0.00 -0.51 0.00 0.00 58.31 58.33 1pfj n LYS 18 Cb 0.53 -2.07 -0.06 0.00 -0.51 0.00 0.00 35.03 32.92 1pfj n LYS 18 CO 0.00 0.00 0.00 1.57 -1.11 0.00 0.00 177.40 177.86 1pfj h LYS 19 N 0.00 -0.10 -3.64 1.97 2.10 -1.94 -3.49 116.57 111.47 1pfj h LYS 19 Ca 0.26 0.01 -0.06 0.00 -2.00 0.00 0.00 60.65 58.85 1pfj h LYS 19 Cb 2.11 0.02 -0.10 0.00 -0.90 0.00 0.00 32.23 33.37 1pfj h LYS 19 CO -0.00 0.30 -0.13 -1.14 -2.00 0.00 0.00 179.45 176.48 1pfj s GLN 20 N -2.41 1.47 -0.17 0.07 2.00 0.32 -5.12 119.66 115.81 1pfj s GLN 20 Ca -0.09 -1.19 -0.06 0.00 -2.00 0.00 0.00 55.36 52.01 1pfj s GLN 20 Cb -0.01 0.46 -0.04 0.00 0.80 0.00 0.00 33.01 34.23 1pfj s GLN 20 CO 0.34 -0.60 0.03 -0.51 -0.50 0.00 0.00 175.29 174.05 1pfj s ASP 21 N -2.99 5.39 0.19 6.67 1.01 -1.26 0.27 116.67 125.95 1pfj s ASP 21 Ca 0.20 0.03 -0.23 0.00 0.71 0.00 0.00 52.55 53.26 1pfj s ASP 21 Cb -0.00 -1.90 0.05 0.00 1.01 0.00 0.00 42.92 42.08 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 0.32 -0.30 0.13 0.21 0.00 0.35 -4.68 107.32 103.34 1pfj s GLY 22 Ca 0.01 0.13 -0.24 0.00 0.00 0.00 0.00 44.72 44.62 1pfj s GLY 22 CO 0.01 0.04 0.73 0.00 0.00 0.00 0.00 173.10 173.88 1pfj s ALA 23 N -3.67 3.47 -0.15 3.20 0.00 0.28 0.10 121.76 124.99 1pfj s ALA 23 Ca 0.08 0.28 -0.03 0.00 0.00 0.00 0.00 51.96 52.28 1pfj s ALA 23 Cb -0.03 -2.90 -0.03 0.00 0.00 0.00 0.00 23.12 20.16 1pfj s ALA 23 CO -0.01 0.28 -0.04 -0.51 0.00 0.00 0.00 175.76 175.48 1pfj s LEU 24 N -0.97 3.27 -0.06 0.00 1.43 0.80 0.13 118.68 123.29 1pfj s LEU 24 Ca 0.35 -0.11 0.02 0.00 -1.03 0.00 0.00 54.13 53.36 1pfj s LEU 24 Cb -0.22 -1.78 -0.03 0.00 0.03 0.00 0.00 46.19 44.19 1pfj s LEU 24 CO 0.24 0.19 -0.11 -0.31 0.23 0.00 0.00 176.35 176.59 1pfj s TYR 25 N 0.24 2.80 -0.02 0.29 1.51 0.38 0.46 117.35 123.01 1pfj s TYR 25 Ca -0.02 -0.10 0.06 0.00 -1.01 0.00 0.00 57.07 56.00 1pfj s TYR 25 Cb -0.14 -1.67 -0.01 0.00 -0.11 0.00 0.00 41.96 40.02 1pfj s TYR 25 CO 0.03 0.23 -0.21 -1.17 -1.11 0.00 0.00 175.55 173.32 1pfj s LEU 26 N -0.71 2.03 0.07 -1.29 0.20 0.29 0.12 118.68 119.39 1pfj s LEU 26 Ca 0.11 -0.39 0.06 0.00 0.69 0.00 0.00 54.13 54.60 1pfj s LEU 26 Cb -0.11 -1.11 -0.03 0.00 -0.43 0.00 0.00 46.19 44.51 1pfj s LEU 26 CO 0.01 0.25 -0.16 -0.32 -0.29 0.00 0.00 176.35 175.84 1pfj s MET 27 N -0.40 0.93 0.17 1.98 -2.45 0.36 -2.07 119.30 117.82 1pfj s MET 27 Ca 0.06 -0.98 -0.28 0.00 -1.25 0.00 0.00 55.69 53.24 1pfj s MET 27 Cb -0.09 -1.01 -0.00 0.00 1.25 0.00 0.00 34.83 34.98 1pfj s MET 27 CO -0.00 0.23 1.55 0.00 1.05 0.00 0.00 175.02 177.85 1pfj h ALA 28 N 4.35 -0.41 -0.00 4.11 0.00 -1.82 0.10 119.26 125.59 1pfj h ALA 28 Ca -0.42 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1pfj h ALA 28 Cb 1.19 1.25 0.00 0.00 0.00 0.00 0.00 17.79 20.22 1pfj h ALA 28 CO 0.41 -0.89 -0.22 -1.91 0.00 0.00 0.00 179.25 176.63 1pfj n GLU 29 N -5.32 0.56 -3.65 0.00 4.07 -1.26 -4.84 120.64 110.19 1pfj n GLU 29 Ca 0.03 -0.26 -0.10 0.00 -0.06 0.00 0.00 57.16 56.77 1pfj n GLU 29 Cb 0.30 -1.49 -0.03 0.00 -0.06 0.00 0.00 31.44 30.16 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 -2.62 1.46 -0.14 5.31 1.70 0.02 0.11 118.95 124.79 1pfj s ARG 30 Ca 0.23 -0.74 -0.02 0.00 -0.47 0.00 0.00 55.73 54.72 1pfj s ARG 30 Cb 0.19 0.57 -0.02 0.00 -0.57 0.00 0.00 34.95 35.12 1pfj s ARG 30 CO 0.54 -0.64 -0.07 0.42 -1.08 0.00 0.00 175.30 174.46 1pfj s ILE 31 N -3.84 3.62 0.14 4.99 -1.09 -0.31 0.14 121.20 124.85 1pfj s ILE 31 Ca 0.06 -0.46 0.10 0.00 -2.23 0.00 0.00 60.65 58.12 1pfj s ILE 31 Cb -0.02 -2.55 -0.04 0.00 -1.58 0.00 0.00 42.46 38.26 1pfj s ILE 31 CO -0.04 0.52 -0.23 0.00 -1.23 0.00 0.00 174.94 173.95 1pfj s ALA 32 N 0.20 2.51 0.01 9.38 0.00 0.33 -0.15 121.76 134.04 1pfj s ALA 32 Ca -0.04 -1.47 0.04 0.00 0.00 0.00 0.00 51.96 50.49 1pfj s ALA 32 Cb -0.14 -0.45 -0.01 0.00 0.00 0.00 0.00 23.12 22.51 1pfj s ALA 32 CO 0.04 0.53 -0.14 -0.46 0.00 0.00 0.00 175.76 175.73 1pfj s TRP 33 N -1.22 1.20 -0.22 0.00 -0.00 -0.47 0.14 118.94 118.37 1pfj s TRP 33 Ca 0.17 -0.28 -0.04 0.00 -0.00 0.00 0.00 56.10 55.95 1pfj s TRP 33 Cb -0.10 -0.75 0.11 0.00 -0.00 0.00 0.00 33.47 32.74 1pfj s TRP 33 CO 0.08 0.00 0.39 0.00 -0.00 0.00 0.00 176.95 177.42 1pfj s ALA 34 N -0.53 -1.10 0.57 5.86 0.00 0.36 0.30 121.76 127.22 1pfj s ALA 34 Ca 0.04 1.14 -0.01 0.00 0.00 0.00 0.00 51.96 53.13 1pfj s ALA 34 Cb -0.06 -1.51 0.03 0.00 0.00 0.00 0.00 23.12 21.58 1pfj s ALA 34 CO 0.00 -1.04 0.19 -0.35 0.00 0.00 0.00 175.76 174.57 1pfj n PRO 35 N 5.37 0.33 -1.74 0.00 -0.04 -1.26 0.10 135.00 137.76 1pfj n PRO 35 Ca -0.06 -0.47 -0.33 0.00 -0.04 0.00 0.00 63.50 62.61 1pfj n PRO 35 Cb 0.50 -0.15 -0.03 0.00 -0.04 0.00 0.00 33.50 33.78 1pfj n PRO 35 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1pfj n GLU 36 N -1.37 3.42 0.00 0.54 0.00 -1.26 -4.73 120.64 117.24 1pfj n GLU 36 Ca 0.03 -2.90 0.00 0.00 0.00 0.00 0.00 57.16 54.29 1pfj n GLU 36 Cb 0.11 -2.36 0.00 0.00 0.00 0.00 0.00 31.44 29.19 1pfj n GLU 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1pfj n GLY 37 N 1.17 0.21 1.99 -1.84 0.00 -1.26 -5.08 105.19 100.38 1pfj n GLY 37 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.57 1pfj n GLY 37 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1pfj n LYS 38 N 0.00 0.00 -2.72 1.61 4.81 -1.26 -4.96 118.16 115.64 1pfj n LYS 38 Ca 0.00 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 57.01 1pfj n LYS 38 Cb 0.00 -0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.03 1pfj n LYS 38 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1pfj s ASP 39 N -5.00 6.65 0.00 3.14 1.11 -1.26 -4.94 116.67 116.37 1pfj s ASP 39 Ca 0.00 -1.95 0.00 0.00 0.18 0.00 0.00 52.55 50.78 1pfj s ASP 39 Cb 0.00 -2.50 0.00 0.00 1.07 0.00 0.00 42.92 41.49 1pfj s ASP 39 CO 0.00 -1.24 0.00 -2.11 1.18 0.00 0.00 175.17 173.00 1pfj n ARG 40 N 7.73 0.00 -1.66 8.23 1.85 -1.26 -4.02 116.66 127.53 1pfj n ARG 40 Ca 0.33 0.00 -0.58 0.00 -1.00 0.00 0.00 57.85 56.60 1pfj n ARG 40 Cb 0.49 0.00 -0.08 0.00 -1.05 0.00 0.00 32.46 31.82 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 1.65 0.00 2.89 3.72 -1.26 -4.24 117.46 120.22 1pfj n PHE 41 Ca 0.00 0.76 0.00 0.00 -0.05 0.00 0.00 57.45 58.16 1pfj n PHE 41 Cb 0.00 -2.33 0.00 0.00 -0.94 0.00 0.00 39.48 36.21 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 3.49 0.00 -3.71 4.37 5.66 0.88 -4.92 114.28 120.05 1pfj n THR 42 Ca 0.24 -0.25 -0.10 0.00 -3.05 0.00 0.00 64.05 60.89 1pfj n THR 42 Cb 0.10 0.75 -0.06 0.00 -1.55 0.00 0.00 70.33 69.58 1pfj n THR 42 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 175.07 171.51 1pfj s ILE 43 N -1.43 0.09 -0.30 1.09 2.07 0.16 -4.81 121.20 118.07 1pfj s ILE 43 Ca 0.00 -0.74 -0.04 0.00 -1.41 0.00 0.00 60.65 58.46 1pfj s ILE 43 Cb 0.00 -1.17 0.19 0.00 0.13 0.00 0.00 42.46 41.61 1pfj s ILE 43 CO 0.00 -0.41 0.84 -0.55 -1.91 0.00 0.00 174.94 172.91 1pfj s SER 44 N -2.66 -0.95 -0.21 4.50 0.15 -1.21 -1.37 113.70 111.95 1pfj s SER 44 Ca 0.02 0.19 -0.05 0.00 0.70 0.00 0.00 55.95 56.81 1pfj s SER 44 Cb 0.02 1.63 -0.02 0.00 -1.71 0.00 0.00 66.02 65.95 1pfj s SER 44 CO -0.10 -0.17 -0.01 -1.00 1.20 0.00 0.00 173.24 173.16 1pfj s HIS 45 N 2.90 3.00 -0.29 3.44 0.09 0.79 -4.87 115.29 120.34 1pfj s HIS 45 Ca 0.17 -0.67 -0.28 0.00 -0.00 0.00 0.00 55.06 54.28 1pfj s HIS 45 Cb -0.07 -2.11 -0.03 0.00 -0.00 0.00 0.00 32.58 30.38 1pfj s HIS 45 CO -0.23 -0.40 1.87 -1.64 -0.00 0.00 0.00 174.74 174.35 1pfj s MET 46 N 1.30 3.34 0.29 1.40 -1.94 -1.26 -1.16 119.30 121.26 1pfj s MET 46 Ca 0.04 1.58 0.19 0.00 -1.71 0.00 0.00 55.69 55.79 1pfj s MET 46 Cb -0.15 -4.22 1.02 0.00 2.01 0.00 0.00 34.83 33.49 1pfj s MET 46 CO -0.00 -1.86 1.12 0.66 -0.01 0.00 0.00 175.02 174.93 1pfj n TYR 47 N 10.41 0.65 -0.09 -0.03 4.01 0.30 0.29 117.16 132.70 1pfj n TYR 47 Ca 0.24 0.65 -0.11 0.00 -0.16 0.00 0.00 57.90 58.52 1pfj n TYR 47 Cb 0.46 -1.07 -0.04 0.00 -0.31 0.00 0.00 39.34 38.39 1pfj n TYR 47 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1pfj h ALA 48 N 1.26 0.35 0.00 -0.72 0.00 -1.87 0.21 119.26 118.49 1pfj h ALA 48 Ca 0.62 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1pfj h ALA 48 Cb 1.83 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.52 1pfj h ALA 48 CO -0.43 0.09 0.01 -0.25 0.00 0.00 0.00 179.25 178.66 1pfj n ASP 49 N -4.62 0.00 -3.98 0.00 9.92 0.85 -4.04 116.55 114.69 1pfj n ASP 49 Ca -0.03 0.29 -0.30 0.00 -0.53 0.00 0.00 54.79 54.22 1pfj n ASP 49 Cb 0.24 -0.29 -0.16 0.00 -0.64 0.00 0.00 41.12 40.27 1pfj n ASP 49 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1pfj s ILE 50 N -2.58 1.62 -0.28 0.53 -1.09 0.06 -3.63 121.20 115.83 1pfj s ILE 50 Ca 0.00 -1.10 -0.00 0.00 -2.23 0.00 0.00 60.65 57.31 1pfj s ILE 50 Cb 0.00 -1.76 0.09 0.00 -1.58 0.00 0.00 42.46 39.20 1pfj s ILE 50 CO 0.00 0.07 0.06 -0.75 -1.23 0.00 0.00 174.94 173.09 1pfj s LYS 51 N 1.38 0.93 0.00 2.79 2.36 0.64 -4.79 119.74 123.06 1pfj s LYS 51 Ca -0.03 -1.05 0.00 0.00 -2.55 0.00 0.00 55.97 52.34 1pfj s LYS 51 Cb -0.17 -2.23 0.00 0.00 -1.05 0.00 0.00 37.83 34.37 1pfj s LYS 51 CO -0.07 -0.87 0.00 0.00 1.55 0.00 0.00 175.35 175.96 1pfj s GLN 53 N -0.34 0.09 -0.17 0.00 1.11 -1.26 -1.78 119.66 117.31 1pfj s GLN 53 Ca 0.00 0.42 -0.04 0.00 0.01 0.00 0.00 55.36 55.75 1pfj s GLN 53 Cb 0.00 -0.19 0.08 0.00 -1.01 0.00 0.00 33.01 31.88 1pfj s GLN 53 CO 0.00 -0.19 0.18 0.21 0.01 0.00 0.00 175.29 175.50 1pfj s LYS 54 N 1.41 0.13 -0.26 2.91 2.20 0.68 -4.99 119.74 121.82 1pfj s LYS 54 Ca -0.07 0.23 -0.04 0.00 -0.36 0.00 0.00 55.97 55.74 1pfj s LYS 54 Cb -0.12 -1.11 0.10 0.00 -1.51 0.00 0.00 37.83 35.19 1pfj s LYS 54 CO -0.06 -0.58 0.16 0.42 -0.36 0.00 0.00 175.35 174.93 1pfj s ILE 55 N 2.29 -0.15 -0.20 5.43 -1.09 -1.26 -1.10 121.20 125.12 1pfj s ILE 55 Ca 0.05 -0.53 0.13 0.00 -2.23 0.00 0.00 60.65 58.07 1pfj s ILE 55 Cb -0.15 -0.87 0.40 0.00 -1.58 0.00 0.00 42.46 40.26 1pfj s ILE 55 CO -0.10 -0.54 1.23 -1.20 -1.23 0.00 0.00 174.94 173.10 1pfj n SER 56 N 5.27 2.00 0.00 3.58 7.64 -1.26 -4.71 113.62 126.14 1pfj n SER 56 Ca -0.06 -3.67 0.06 0.00 1.01 0.00 0.00 58.87 56.22 1pfj n SER 56 Cb 0.45 -0.51 0.32 0.00 -1.01 0.00 0.00 64.21 63.46 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 -1.19 0.26 0.01 1.43 -0.04 -1.26 -2.53 135.00 131.69 1pfj n PRO 57 Ca 0.20 0.10 0.22 0.00 -0.04 0.00 0.00 63.50 63.97 1pfj n PRO 57 Cb 0.71 -1.50 0.73 0.00 -0.04 0.00 0.00 33.50 33.40 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 0.00 -0.48 0.54 -0.00 -1.95 -2.68 114.58 110.01 1pfj h GLU 58 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 59.36 59.10 1pfj h GLU 58 Cb 0.06 0.00 -0.35 0.00 -0.00 0.00 0.00 28.75 28.46 1pfj h GLU 58 CO 0.00 0.00 -0.97 0.41 -0.00 0.00 0.00 179.01 178.45 1pfj n GLY 59 N -1.58 1.72 2.96 1.06 0.00 -1.05 -5.11 105.19 103.19 1pfj n GLY 59 Ca 0.10 -0.93 -0.24 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.60 0.94 -0.02 1.61 4.76 -1.01 -5.03 118.16 118.81 1pfj n LYS 60 Ca 0.03 -2.86 -0.01 0.00 -2.87 0.00 0.00 58.31 52.61 1pfj n LYS 60 Cb 0.82 0.57 -0.01 0.00 -1.84 0.00 0.00 35.03 34.58 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 -1.88 -0.04 -2.64 7.82 0.00 -1.26 -4.33 120.51 118.19 1pfj n ALA 61 Ca -0.16 0.05 -0.02 0.00 0.00 0.00 0.00 53.44 53.32 1pfj n ALA 61 Cb 0.51 0.25 0.10 0.00 0.00 0.00 0.00 19.45 20.31 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 -2.78 1.10 -0.97 0.00 0.00 -1.26 -5.07 118.16 109.17 1pfj n LYS 62 Ca 0.00 -0.98 0.00 0.00 -0.00 0.00 0.00 58.31 57.33 1pfj n LYS 62 Cb 0.01 0.34 0.00 0.00 -0.00 0.00 0.00 35.03 35.38 1pfj n LYS 62 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.40 177.84 1pfj n ILE 63 N -1.24 -1.29 -4.28 0.58 -5.35 -1.26 -4.23 119.36 102.28 1pfj n ILE 63 Ca -0.14 0.00 -0.20 0.00 -0.27 0.00 0.00 62.75 62.14 1pfj n ILE 63 Cb 0.81 -2.59 -0.16 0.00 -1.74 0.00 0.00 39.64 35.96 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 -0.93 0.89 0.37 6.28 0.00 -1.26 -1.36 119.66 123.65 1pfj s GLN 64 Ca 0.00 -0.21 0.09 0.00 -0.00 0.00 0.00 55.36 55.24 1pfj s GLN 64 Cb 0.00 -0.84 -0.07 0.00 0.00 0.00 0.00 33.01 32.10 1pfj s GLN 64 CO 0.00 0.02 -0.05 -0.48 0.00 0.00 0.00 175.29 174.78 1pfj s LEU 65 N 0.50 2.79 -0.10 2.60 -0.00 0.59 -4.15 118.68 120.91 1pfj s LEU 65 Ca -0.07 -1.26 -0.04 0.00 -0.00 0.00 0.00 54.13 52.75 1pfj s LEU 65 Cb -0.11 -0.97 0.05 0.00 -0.00 0.00 0.00 46.19 45.16 1pfj s LEU 65 CO 0.01 -0.30 0.22 -1.58 -0.00 0.00 0.00 176.35 174.70 1pfj s GLN 66 N -3.65 0.15 0.04 1.48 0.74 -0.25 -2.01 119.66 116.16 1pfj s GLN 66 Ca 0.33 0.56 0.02 0.00 0.05 0.00 0.00 55.36 56.32 1pfj s GLN 66 Cb 0.05 -0.13 -0.02 0.00 1.10 0.00 0.00 33.01 34.01 1pfj s GLN 66 CO 0.17 -0.21 -0.07 -1.17 -0.55 0.00 0.00 175.29 173.46 1pfj s LEU 67 N 1.65 2.26 0.24 3.68 2.96 0.02 -0.23 118.68 129.26 1pfj s LEU 67 Ca -0.05 -0.56 0.11 0.00 -0.22 0.00 0.00 54.13 53.41 1pfj s LEU 67 Cb -0.11 -0.12 -0.05 0.00 0.50 0.00 0.00 46.19 46.41 1pfj s LEU 67 CO -0.08 -0.23 -0.21 -0.69 -1.32 0.00 0.00 176.35 173.83 1pfj s VAL 68 N -1.46 2.35 0.24 1.68 1.01 -0.73 0.26 120.40 123.75 1pfj s VAL 68 Ca -0.10 -2.25 -0.20 0.00 0.00 0.00 0.00 61.98 59.42 1pfj s VAL 68 Cb -0.10 -2.20 -0.08 0.00 0.00 0.00 0.00 36.38 34.00 1pfj s VAL 68 CO 0.00 -0.33 0.74 -0.76 0.00 0.00 0.00 175.10 174.76 1pfj s LEU 69 N -3.20 4.33 0.40 3.92 2.01 0.62 0.24 118.68 127.00 1pfj s LEU 69 Ca 0.26 1.44 0.19 0.00 0.01 0.00 0.00 54.13 56.03 1pfj s LEU 69 Cb -0.06 -3.65 1.12 0.00 0.01 0.00 0.00 46.19 43.62 1pfj s LEU 69 CO 0.12 0.01 1.77 1.12 1.01 0.00 0.00 176.35 180.39 1pfj h HIS 70 N 3.33 0.63 -0.12 0.29 2.07 -1.76 -3.37 115.15 116.22 1pfj h HIS 70 Ca -0.48 0.02 0.00 0.00 -2.85 0.00 0.00 60.37 57.06 1pfj h HIS 70 Cb 1.19 -0.18 0.00 0.00 2.57 0.00 0.00 27.41 30.99 1pfj h HIS 70 CO 0.63 0.06 0.00 0.00 -3.07 0.00 0.00 177.93 175.55 1pfj n ALA 71 N -2.49 0.00 -2.44 6.11 0.00 -1.26 -4.88 120.51 115.56 1pfj n ALA 71 Ca 0.25 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.35 1pfj n ALA 71 Cb 0.89 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.35 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 2.14 5.82 3.10 0.00 0.00 -1.26 -4.96 105.19 110.02 1pfj n GLY 72 Ca 0.00 -2.64 -0.22 0.00 0.00 0.00 0.00 46.02 43.16 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 -2.22 1.62 0.22 1.61 1.11 -1.26 -4.98 116.67 112.77 1pfj s ASP 73 Ca 0.47 -0.25 0.07 0.00 0.18 0.00 0.00 52.55 53.02 1pfj s ASP 73 Cb 0.34 -0.23 -0.04 0.00 1.07 0.00 0.00 42.92 44.06 1pfj s ASP 73 CO -0.24 0.16 0.10 -0.89 1.18 0.00 0.00 175.17 175.48 1pfj s THR 74 N -0.24 4.08 -0.26 -1.27 2.01 -1.26 0.23 115.64 118.92 1pfj s THR 74 Ca 0.04 -1.45 0.00 0.00 0.31 0.00 0.00 61.69 60.59 1pfj s THR 74 Cb -0.06 -3.15 0.08 0.00 0.01 0.00 0.00 72.50 69.38 1pfj s THR 74 CO -0.00 -0.26 0.01 -0.89 -0.69 0.00 0.00 174.62 172.79 1pfj s THR 75 N -2.01 1.34 -0.06 -0.82 2.01 0.74 -4.85 115.64 111.98 1pfj s THR 75 Ca 0.31 -1.35 0.02 0.00 0.31 0.00 0.00 61.69 60.98 1pfj s THR 75 Cb -0.08 -1.79 -0.03 0.00 0.01 0.00 0.00 72.50 70.61 1pfj s THR 75 CO 0.22 -0.34 -0.10 0.20 -0.69 0.00 0.00 174.62 173.92 1pfj s ASN 76 N 1.44 4.42 -0.11 3.53 -0.87 -1.26 -0.80 114.94 121.29 1pfj s ASN 76 Ca 0.01 -0.09 -0.14 0.00 -1.57 0.00 0.00 52.86 51.08 1pfj s ASN 76 Cb -0.18 -1.06 0.03 0.00 -0.02 0.00 0.00 41.25 40.02 1pfj s ASN 76 CO -0.12 0.35 0.36 -0.36 -2.57 0.00 0.00 177.10 174.77 1pfj s PHE 77 N -0.76 -0.36 0.11 2.20 0.08 -0.85 -4.74 117.98 113.67 1pfj s PHE 77 Ca 0.12 0.82 -0.02 0.00 0.12 0.00 0.00 56.93 57.96 1pfj s PHE 77 Cb -0.11 0.13 -0.03 0.00 -0.57 0.00 0.00 43.02 42.44 1pfj s PHE 77 CO 0.01 -0.25 0.07 -1.58 -0.10 0.00 0.00 175.22 173.37 1pfj s HIS 78 N -0.18 0.67 -0.06 0.36 5.65 0.21 -0.30 115.29 121.64 1pfj s HIS 78 Ca -0.03 -1.09 -0.12 0.00 0.25 0.00 0.00 55.06 54.06 1pfj s HIS 78 Cb -0.03 -0.38 0.03 0.00 -1.18 0.00 0.00 32.58 31.01 1pfj s HIS 78 CO 0.02 -0.50 0.30 -0.06 -0.65 0.00 0.00 174.74 173.84 1pfj s PHE 79 N -3.99 -0.24 -0.09 3.88 0.40 -0.46 0.19 117.98 117.66 1pfj s PHE 79 Ca 0.17 0.51 0.02 0.00 -0.60 0.00 0.00 56.93 57.03 1pfj s PHE 79 Cb 0.07 0.10 0.07 0.00 0.51 0.00 0.00 43.02 43.77 1pfj s PHE 79 CO -0.03 -0.28 0.73 0.45 0.70 0.00 0.00 175.22 176.79 1pfj n SER 80 N 2.06 -0.36 -4.43 1.36 2.88 -1.26 -4.18 113.62 109.68 1pfj n SER 80 Ca -0.18 -1.26 -0.41 0.00 -1.33 0.00 0.00 58.87 55.69 1pfj n SER 80 Cb 0.57 0.22 0.01 0.00 -0.75 0.00 0.00 64.21 64.27 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 -0.30 -1.26 -0.34 -3.46 5.03 -1.24 -4.23 115.26 109.46 1pfj n ASN 81 Ca -0.06 0.84 0.05 0.00 0.87 0.00 0.00 54.58 56.28 1pfj n ASN 81 Cb 0.58 -1.09 0.13 0.00 -1.02 0.00 0.00 39.78 38.37 1pfj n ASN 81 CO 0.00 0.00 0.00 -0.33 -1.83 0.00 0.00 177.26 175.10 1pfj h GLU 82 N 0.57 -0.00 -0.01 3.52 5.08 -2.00 0.46 114.58 122.21 1pfj h GLU 82 Ca -0.41 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.95 1pfj h GLU 82 Cb 1.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.66 1pfj h GLU 82 CO 0.49 -0.00 -0.34 0.43 -1.00 0.00 0.00 179.01 178.60 1pfj n SER 83 N -5.60 1.07 -1.12 1.42 7.64 -1.26 -4.40 113.62 111.38 1pfj n SER 83 Ca 0.15 -1.04 0.00 0.00 1.01 0.00 0.00 58.87 59.00 1pfj n SER 83 Cb 0.47 0.64 0.23 0.00 -1.01 0.00 0.00 64.21 64.55 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 -0.56 2.48 -2.25 0.44 -1.04 -0.33 -4.68 114.28 108.34 1pfj n THR 84 Ca 0.04 -2.27 -0.41 0.00 -2.04 0.00 0.00 64.05 59.37 1pfj n THR 84 Cb 0.22 -0.30 0.00 0.00 -1.82 0.00 0.00 70.33 68.44 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 -0.83 6.42 -3.00 2.41 0.00 0.15 -3.72 120.51 121.94 1pfj n ALA 85 Ca 0.30 -4.29 0.00 0.00 0.00 0.00 0.00 53.44 49.45 1pfj n ALA 85 Cb 1.02 -2.60 0.00 0.00 0.00 0.00 0.00 19.45 17.86 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 1.32 0.00 -0.58 0.00 0.31 -1.26 -4.90 118.33 113.22 1pfj n VAL 86 Ca 0.55 0.00 0.45 0.00 -0.01 0.00 0.00 64.34 65.32 1pfj n VAL 86 Cb 0.26 0.00 0.70 0.00 -0.91 0.00 0.00 33.84 33.90 1pfj n VAL 86 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1pfj n LYS 87 N 0.00 -0.01 0.00 5.55 4.81 -1.26 -0.33 118.16 126.92 1pfj n LYS 87 Ca 0.00 1.02 0.00 0.00 -0.87 0.00 0.00 58.31 58.46 1pfj n LYS 87 Cb 0.00 -2.24 0.00 0.00 0.02 0.00 0.00 35.03 32.81 1pfj n LYS 87 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 1pfj n GLU 88 N -3.94 0.00 -0.02 1.64 0.00 -1.26 0.20 120.64 117.26 1pfj n GLU 88 Ca 0.39 0.53 -0.05 0.00 0.00 0.00 0.00 57.16 58.03 1pfj n GLU 88 Cb 1.70 -1.23 0.16 0.00 0.00 0.00 0.00 31.44 32.07 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 0.58 0.00 3.44 2.47 -1.58 0.15 114.38 119.45 1pfj h ARG 89 Ca 0.00 -0.23 0.00 0.00 -1.26 0.00 0.00 59.98 58.49 1pfj h ARG 89 Cb 0.00 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.29 1pfj h ARG 89 CO 0.00 0.78 0.18 -0.25 0.56 0.00 0.00 179.97 181.24 1pfj n ASP 90 N -4.12 0.29 -0.07 7.04 8.00 0.55 0.26 116.55 128.50 1pfj n ASP 90 Ca -0.00 0.55 -0.12 0.00 0.71 0.00 0.00 54.79 55.93 1pfj n ASP 90 Cb 0.42 -0.54 -0.15 0.00 -0.02 0.00 0.00 41.12 40.83 1pfj n ASP 90 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pfj n ALA 91 N -1.55 1.44 0.13 2.24 0.00 0.55 -1.37 120.51 121.94 1pfj n ALA 91 Ca -0.01 -1.08 -0.13 0.00 0.00 0.00 0.00 53.44 52.22 1pfj n ALA 91 Cb 0.20 -0.40 -0.07 0.00 0.00 0.00 0.00 19.45 19.18 1pfj n ALA 91 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1pfj h VAL 92 N 0.01 0.71 -0.14 0.00 2.07 0.43 0.58 116.25 119.92 1pfj h VAL 92 Ca -0.47 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.08 1pfj h VAL 92 Cb 2.11 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 32.57 1pfj h VAL 92 CO 0.03 0.00 -0.05 0.50 0.02 0.00 0.00 177.57 178.07 1pfj h LYS 93 N -0.32 -0.03 -0.27 1.57 3.64 0.41 0.57 116.57 122.14 1pfj h LYS 93 Ca -0.01 0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.45 1pfj h LYS 93 Cb 0.28 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 1pfj h LYS 93 CO -0.00 -0.02 0.68 0.22 -2.27 0.00 0.00 179.45 178.05 1pfj h ASP 94 N -0.03 0.00 0.00 4.20 3.58 0.25 0.46 116.42 124.87 1pfj h ASP 94 Ca 0.07 0.00 -0.21 0.00 0.42 0.00 0.00 57.03 57.31 1pfj h ASP 94 Cb 0.14 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.16 1pfj h ASP 94 CO -0.16 0.00 -1.15 -0.07 -2.88 0.00 0.00 179.24 174.97 1pfj h LEU 95 N 0.00 0.01 -0.14 2.28 4.07 0.53 -3.34 115.31 118.72 1pfj h LEU 95 Ca 0.13 -0.57 0.01 0.00 0.08 0.00 0.00 57.88 57.53 1pfj h LEU 95 Cb 1.48 -0.00 -0.02 0.00 1.08 0.00 0.00 40.66 43.20 1pfj h LEU 95 CO -0.00 1.45 -0.08 0.18 -1.08 0.00 0.00 178.44 178.91 1pfj n LEU 96 N -4.42 -0.15 0.00 1.67 4.77 0.16 0.29 117.00 119.32 1pfj n LEU 96 Ca -0.30 0.97 0.02 0.00 -0.03 0.00 0.00 56.01 56.68 1pfj n LEU 96 Cb 0.67 -0.39 0.14 0.00 -2.33 0.00 0.00 43.42 41.51 1pfj n LEU 96 CO 0.21 -0.57 0.40 0.00 -1.33 0.00 0.00 177.39 176.11 1pfj n GLN 97 N -3.22 0.14 -0.02 3.23 3.00 -1.02 -0.75 117.38 118.74 1pfj n GLN 97 Ca 0.00 0.04 -0.20 0.00 -0.01 0.00 0.00 57.00 56.83 1pfj n GLN 97 Cb 0.04 -1.50 -0.14 0.00 0.00 0.00 0.00 30.24 28.64 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 -1.04 0.73 0.04 -1.09 7.27 0.86 -4.15 117.38 119.99 1pfj n GLN 98 Ca 0.04 0.25 -0.05 0.00 0.07 0.00 0.00 57.00 57.30 1pfj n GLN 98 Cb 0.02 -1.69 -0.10 0.00 2.41 0.00 0.00 30.24 30.89 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 0.06 0.00 -1.51 1.69 4.07 0.16 -3.28 115.31 116.49 1pfj h LEU 99 Ca -0.43 0.00 0.32 0.00 0.08 0.00 0.00 57.88 57.84 1pfj h LEU 99 Cb 2.02 0.00 -0.09 0.00 1.08 0.00 0.00 40.66 43.67 1pfj h LEU 99 CO 0.06 0.85 0.75 -0.07 -1.08 0.00 0.00 178.44 178.95 1pfj h LEU 100 N 0.00 0.31 0.00 1.67 3.38 -1.10 3.06 115.31 122.63 1pfj h LEU 100 Ca -0.12 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1pfj h LEU 100 Cb 1.75 0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.53 1pfj h LEU 100 CO 0.09 0.01 0.00 -2.65 0.09 0.00 0.00 178.44 175.98 1pfj n PRO 101 N -4.54 0.71 0.02 1.13 -0.02 -1.24 -2.56 135.00 128.50 1pfj n PRO 101 Ca 0.28 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.54 1pfj n PRO 101 Cb 1.08 -1.50 -0.14 0.00 -0.02 0.00 0.00 33.50 32.92 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 0.28 -0.18 -0.52 3.64 0.54 -3.38 116.57 116.96 1pfj h LYS 102 Ca 0.00 -0.48 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1pfj h LYS 102 Cb 0.01 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1pfj h LYS 102 CO 0.00 1.23 0.00 1.97 -2.27 0.00 0.00 179.45 180.38 1pfj n PHE 103 N -3.73 0.21 -3.15 1.91 -1.74 -1.22 -4.85 117.46 104.89 1pfj n PHE 103 Ca -0.27 -0.13 0.04 0.00 -0.56 0.00 0.00 57.45 56.52 1pfj n PHE 103 Cb 0.98 -0.00 -0.01 0.00 1.52 0.00 0.00 39.48 41.97 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 -1.41 0.57 0.13 3.97 -2.85 -1.06 -4.91 119.74 114.18 1pfj s LYS 104 Ca 0.26 0.97 0.00 0.00 -1.00 0.00 0.00 55.97 56.21 1pfj s LYS 104 Cb 0.17 0.54 0.00 0.00 -2.06 0.00 0.00 37.83 36.47 1pfj s LYS 104 CO 0.24 -0.65 0.00 -2.13 0.10 0.00 0.00 175.35 172.92 1pfj n ARG 105 N 5.43 0.00 -2.46 1.78 0.63 -1.26 -4.05 116.66 116.72 1pfj n ARG 105 Ca -0.01 0.00 -0.25 0.00 -0.92 0.00 0.00 57.85 56.68 1pfj n ARG 105 Cb 0.51 -0.17 0.12 0.00 0.45 0.00 0.00 32.46 33.38 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 -1.66 1.47 0.37 -0.14 1.02 -1.26 -5.11 119.74 114.43 1pfj s LYS 106 Ca 0.00 -0.99 -0.16 0.00 0.02 0.00 0.00 55.97 54.84 1pfj s LYS 106 Cb 0.00 -2.24 0.05 0.00 -0.52 0.00 0.00 37.83 35.12 1pfj s LYS 106 CO 0.00 -1.64 0.79 0.00 -0.92 0.00 0.00 175.35 173.57 1pfj s ALA 107 N -3.29 -0.81 0.00 5.17 0.00 -1.26 -5.21 121.76 116.36 1pfj s ALA 107 Ca 0.68 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.95 1pfj s ALA 107 Cb -0.05 0.70 0.00 0.00 0.00 0.00 0.00 23.12 23.77 1pfj s ALA 107 CO 0.46 -0.99 0.00 0.27 0.00 0.00 0.00 175.76 175.50