#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 0.00 -0.93 -5.12 0.00 -1.26 -5.08 120.51 108.12 1pfj n ALA 2 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1pfj n ALA 2 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.48 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 -0.45 0.00 -1.44 0.00 -2.24 -1.26 -4.80 114.28 104.09 1pfj n THR 3 Ca 0.00 -0.01 -0.45 0.00 -2.27 0.00 0.00 64.05 61.32 1pfj n THR 3 Cb 0.00 -0.30 -0.01 0.00 -2.10 0.00 0.00 70.33 67.92 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 -3.31 -0.89 0.00 3.42 2.88 -1.26 -4.96 113.62 109.50 1pfj n SER 4 Ca 0.02 1.03 0.00 0.00 -1.33 0.00 0.00 58.87 58.59 1pfj n SER 4 Cb 0.07 -1.05 0.00 0.00 -0.75 0.00 0.00 64.21 62.48 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 1.71 0.00 -4.69 -3.46 7.64 -1.26 -5.10 113.62 108.46 1pfj n SER 5 Ca 0.14 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.72 1pfj n SER 5 Cb 0.32 0.00 0.15 0.00 -1.01 0.00 0.00 64.21 63.68 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 2.89 1.07 -0.24 1.43 0.41 -1.26 -5.02 118.70 117.99 1pfj s GLU 6 Ca 0.00 1.02 0.02 0.00 -0.41 0.00 0.00 54.97 55.60 1pfj s GLU 6 Cb 0.00 -1.77 0.05 0.00 -1.78 0.00 0.00 34.13 30.63 1pfj s GLU 6 CO 0.00 -2.42 -0.13 -1.21 -0.49 0.00 0.00 175.26 171.00 1pfj s GLU 7 N -4.81 2.48 0.17 1.61 2.02 -1.26 -5.11 118.70 113.80 1pfj s GLU 7 Ca 0.64 -1.19 0.01 0.00 0.02 0.00 0.00 54.97 54.46 1pfj s GLU 7 Cb -0.20 -2.80 -0.04 0.00 0.10 0.00 0.00 34.13 31.20 1pfj s GLU 7 CO 0.58 -0.46 0.33 0.14 0.02 0.00 0.00 175.26 175.87 1pfj s VAL 8 N 1.16 5.27 -0.24 2.63 -7.23 -1.26 -2.92 120.40 117.82 1pfj s VAL 8 Ca -0.05 -0.56 0.02 0.00 -1.81 0.00 0.00 61.98 59.59 1pfj s VAL 8 Cb -0.18 -3.74 -0.19 0.00 0.56 0.00 0.00 36.38 32.83 1pfj s VAL 8 CO -0.07 -0.14 -0.12 -0.11 -0.31 0.00 0.00 175.10 174.35 1pfj n LEU 9 N -0.63 2.68 -3.56 1.32 7.94 -0.96 -4.74 117.00 119.04 1pfj n LEU 9 Ca -0.06 -0.08 -0.10 0.00 -1.11 0.00 0.00 56.01 54.66 1pfj n LEU 9 Cb 0.54 -0.81 -0.04 0.00 0.53 0.00 0.00 43.42 43.63 1pfj n LEU 9 CO 0.48 0.89 0.75 -0.22 -1.11 0.00 0.00 177.39 178.18 1pfj s LEU 10 N -6.50 -0.38 -0.03 -1.96 0.20 -0.97 -5.02 118.68 104.02 1pfj s LEU 10 Ca -0.31 0.32 0.04 0.00 0.69 0.00 0.00 54.13 54.87 1pfj s LEU 10 Cb 0.08 1.92 -0.01 0.00 -0.43 0.00 0.00 46.19 47.76 1pfj s LEU 10 CO 0.64 -0.41 -0.16 -0.51 -0.29 0.00 0.00 176.35 175.62 1pfj s ILE 11 N -1.58 1.29 -0.38 6.68 -1.16 -1.26 0.14 121.20 124.93 1pfj s ILE 11 Ca -0.00 -0.66 0.03 0.00 -0.51 0.00 0.00 60.65 59.51 1pfj s ILE 11 Cb -0.01 -1.10 0.11 0.00 0.61 0.00 0.00 42.46 42.08 1pfj s ILE 11 CO -0.00 0.37 0.12 0.68 -2.81 0.00 0.00 174.94 173.30 1pfj s VAL 12 N -0.09 2.06 0.51 4.00 -7.23 0.48 -4.92 120.40 115.20 1pfj s VAL 12 Ca -0.00 -2.44 0.32 0.00 -1.81 0.00 0.00 61.98 58.04 1pfj s VAL 12 Cb -0.09 -2.50 0.32 0.00 0.56 0.00 0.00 36.38 34.67 1pfj s VAL 12 CO 0.01 -0.68 1.96 0.07 -0.31 0.00 0.00 175.10 176.15 1pfj h LYS 13 N 7.36 0.00 -4.93 4.82 -0.00 -1.92 0.58 116.57 122.48 1pfj h LYS 13 Ca -0.06 0.00 -0.67 0.00 -0.00 0.00 0.00 60.65 59.92 1pfj h LYS 13 Cb 0.98 0.00 -0.30 0.00 -0.00 0.00 0.00 32.23 32.91 1pfj h LYS 13 CO 0.55 0.00 -0.73 0.21 -0.00 0.00 0.00 179.45 179.47 1pfj s LYS 14 N -3.98 3.02 -0.06 0.07 2.47 -1.26 -3.55 119.74 116.44 1pfj s LYS 14 Ca -0.04 -0.86 -0.15 0.00 -1.56 0.00 0.00 55.97 53.36 1pfj s LYS 14 Cb 0.09 -3.01 0.03 0.00 -1.46 0.00 0.00 37.83 33.48 1pfj s LYS 14 CO 0.29 -0.34 0.35 0.08 0.16 0.00 0.00 175.35 175.89 1pfj s VAL 15 N 1.38 0.03 -0.02 4.02 1.01 0.13 -4.71 120.40 122.25 1pfj s VAL 15 Ca 0.02 -0.27 0.07 0.00 0.00 0.00 0.00 61.98 61.80 1pfj s VAL 15 Cb -0.16 -0.60 -0.02 0.00 0.00 0.00 0.00 36.38 35.61 1pfj s VAL 15 CO -0.04 -0.15 -0.23 -0.60 0.00 0.00 0.00 175.10 174.08 1pfj s ARG 16 N -0.74 1.89 -0.07 2.72 3.52 0.73 0.21 118.95 127.20 1pfj s ARG 16 Ca -0.08 -0.83 -0.06 0.00 -0.13 0.00 0.00 55.73 54.63 1pfj s ARG 16 Cb -0.04 -1.83 0.02 0.00 -1.56 0.00 0.00 34.95 31.55 1pfj s ARG 16 CO 0.03 0.50 0.19 1.14 -0.81 0.00 0.00 175.30 176.35 1pfj s GLN 17 N -0.54 0.20 0.52 5.12 -2.07 0.86 0.22 119.66 123.96 1pfj s GLN 17 Ca 0.09 0.31 0.16 0.00 -1.82 0.00 0.00 55.36 54.10 1pfj s GLN 17 Cb -0.09 0.04 0.54 0.00 -1.09 0.00 0.00 33.01 32.40 1pfj s GLN 17 CO -0.01 -0.06 1.01 1.63 -1.32 0.00 0.00 175.29 176.54 1pfj n LYS 18 N 3.32 0.02 -0.06 9.60 5.02 -1.26 0.30 118.16 135.09 1pfj n LYS 18 Ca -0.16 0.84 -0.03 0.00 -2.02 0.00 0.00 58.31 56.94 1pfj n LYS 18 Cb 0.57 -2.13 -0.02 0.00 -0.02 0.00 0.00 35.03 33.42 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 0.00 -3.69 1.97 2.10 -1.93 -3.49 116.57 111.52 1pfj h LYS 19 Ca 0.29 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.87 1pfj h LYS 19 Cb 2.23 0.00 -0.10 0.00 -0.90 0.00 0.00 32.23 33.46 1pfj h LYS 19 CO -0.00 0.16 -0.15 -1.14 -2.00 0.00 0.00 179.45 176.31 1pfj s GLN 20 N -1.75 1.48 -0.17 0.07 -0.44 0.15 -5.13 119.66 113.87 1pfj s GLN 20 Ca -0.05 -1.23 -0.06 0.00 -2.50 0.00 0.00 55.36 51.52 1pfj s GLN 20 Cb -0.00 0.46 -0.04 0.00 -1.64 0.00 0.00 33.01 31.79 1pfj s GLN 20 CO 0.13 -0.60 0.02 -0.51 0.50 0.00 0.00 175.29 174.83 1pfj s ASP 21 N -3.01 5.30 0.19 6.67 1.01 -1.26 -0.10 116.67 125.47 1pfj s ASP 21 Ca 0.22 -0.00 -0.23 0.00 0.71 0.00 0.00 52.55 53.24 1pfj s ASP 21 Cb 0.00 -1.89 0.05 0.00 1.01 0.00 0.00 42.92 42.09 1pfj s ASP 21 CO 0.07 0.17 0.75 -0.83 0.21 0.00 0.00 175.17 175.55 1pfj s GLY 22 N 0.37 -0.30 0.02 0.21 0.00 0.56 -4.83 107.32 103.35 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 0.78 0.00 0.00 0.00 0.00 173.10 173.93 1pfj s ALA 23 N -3.67 3.34 -0.14 3.20 0.00 0.16 0.17 121.76 124.82 1pfj s ALA 23 Ca 0.08 0.28 -0.04 0.00 0.00 0.00 0.00 51.96 52.29 1pfj s ALA 23 Cb -0.03 -3.03 -0.03 0.00 0.00 0.00 0.00 23.12 20.03 1pfj s ALA 23 CO -0.01 -0.00 -0.02 -0.51 0.00 0.00 0.00 175.76 175.22 1pfj s LEU 24 N 0.23 3.40 -0.12 0.00 1.43 0.20 0.12 118.68 123.94 1pfj s LEU 24 Ca 0.40 -0.03 -0.01 0.00 -1.03 0.00 0.00 54.13 53.46 1pfj s LEU 24 Cb -0.20 -1.81 -0.02 0.00 0.03 0.00 0.00 46.19 44.18 1pfj s LEU 24 CO 0.23 0.22 -0.08 -0.31 0.23 0.00 0.00 176.35 176.64 1pfj s TYR 25 N 0.03 2.92 -0.11 0.29 2.02 0.41 0.18 117.35 123.09 1pfj s TYR 25 Ca 0.01 -0.30 0.00 0.00 -0.37 0.00 0.00 57.07 56.41 1pfj s TYR 25 Cb -0.13 -1.84 -0.02 0.00 -0.40 0.00 0.00 41.96 39.57 1pfj s TYR 25 CO 0.02 0.03 -0.11 -0.51 -1.57 0.00 0.00 175.55 173.41 1pfj s LEU 26 N -0.03 2.86 0.08 -1.29 1.02 0.38 0.84 118.68 122.53 1pfj s LEU 26 Ca -0.01 -0.23 0.10 0.00 0.02 0.00 0.00 54.13 54.01 1pfj s LEU 26 Cb -0.14 -1.63 -0.03 0.00 0.02 0.00 0.00 46.19 44.41 1pfj s LEU 26 CO 0.03 0.23 -0.26 -0.32 0.02 0.00 0.00 176.35 176.05 1pfj s MET 27 N -0.05 1.62 0.16 1.70 1.75 0.33 -2.28 119.30 122.53 1pfj s MET 27 Ca -0.02 -1.18 -0.29 0.00 -1.25 0.00 0.00 55.69 52.95 1pfj s MET 27 Cb -0.14 -1.91 -0.02 0.00 2.84 0.00 0.00 34.83 35.60 1pfj s MET 27 CO 0.04 0.48 1.55 0.00 -0.65 0.00 0.00 175.02 176.44 1pfj h ALA 28 N 4.47 -0.49 -0.01 4.11 0.00 -1.82 -0.37 119.26 125.14 1pfj h ALA 28 Ca -0.48 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1pfj h ALA 28 Cb 1.15 1.10 0.00 0.00 0.00 0.00 0.00 17.79 20.05 1pfj h ALA 28 CO 0.42 -0.92 -0.08 -1.91 0.00 0.00 0.00 179.25 176.77 1pfj n GLU 29 N -5.37 1.17 -3.66 0.00 2.13 -1.26 -4.87 120.64 108.78 1pfj n GLU 29 Ca 0.01 -0.55 -0.09 0.00 0.66 0.00 0.00 57.16 57.19 1pfj n GLU 29 Cb 0.33 -1.49 -0.02 0.00 0.27 0.00 0.00 31.44 30.53 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 -2.21 1.46 -0.06 5.31 1.70 -0.15 0.25 118.95 125.25 1pfj s ARG 30 Ca 0.35 -0.71 0.00 0.00 -0.47 0.00 0.00 55.73 54.90 1pfj s ARG 30 Cb 0.21 0.56 -0.03 0.00 -0.57 0.00 0.00 34.95 35.11 1pfj s ARG 30 CO 0.41 -0.66 -0.04 0.42 -1.08 0.00 0.00 175.30 174.36 1pfj s ILE 31 N -3.72 3.94 0.03 4.99 1.01 -0.46 0.12 121.20 127.11 1pfj s ILE 31 Ca 0.07 -0.46 0.04 0.00 0.00 0.00 0.00 60.65 60.31 1pfj s ILE 31 Cb -0.03 -2.66 -0.02 0.00 0.01 0.00 0.00 42.46 39.76 1pfj s ILE 31 CO -0.02 0.55 -0.13 0.00 0.00 0.00 0.00 174.94 175.33 1pfj s ALA 32 N -0.89 1.10 0.02 9.38 0.00 0.25 -0.41 121.76 131.20 1pfj s ALA 32 Ca 0.14 -0.74 0.08 0.00 0.00 0.00 0.00 51.96 51.45 1pfj s ALA 32 Cb -0.11 -0.20 -0.02 0.00 0.00 0.00 0.00 23.12 22.79 1pfj s ALA 32 CO 0.04 0.22 -0.24 -0.46 0.00 0.00 0.00 175.76 175.31 1pfj s TRP 33 N -0.70 2.15 -0.20 0.00 -0.00 -0.55 0.15 118.94 119.79 1pfj s TRP 33 Ca 0.02 -0.40 -0.05 0.00 -0.00 0.00 0.00 56.10 55.67 1pfj s TRP 33 Cb -0.07 -1.33 0.10 0.00 -0.00 0.00 0.00 33.47 32.17 1pfj s TRP 33 CO 0.01 0.04 0.38 0.00 -0.00 0.00 0.00 176.95 177.38 1pfj s ALA 34 N -0.69 -1.02 0.00 5.86 0.00 0.33 0.31 121.76 126.55 1pfj s ALA 34 Ca 0.10 1.20 0.00 0.00 0.00 0.00 0.00 51.96 53.26 1pfj s ALA 34 Cb -0.09 -1.38 0.00 0.00 0.00 0.00 0.00 23.12 21.64 1pfj s ALA 34 CO 0.01 -0.90 0.00 -0.35 0.00 0.00 0.00 175.76 174.51 1pfj n PRO 35 N 5.37 3.95 -0.88 0.00 -0.05 -1.26 0.38 135.00 142.51 1pfj n PRO 35 Ca -0.07 0.00 -0.16 0.00 -0.05 0.00 0.00 63.50 63.22 1pfj n PRO 35 Cb 0.50 0.00 0.04 0.00 -0.05 0.00 0.00 33.50 33.98 1pfj n PRO 35 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 175.50 173.54 1pfj n GLU 36 N 0.00 1.78 0.00 0.54 0.00 -1.26 -4.81 120.64 116.89 1pfj n GLU 36 Ca 0.00 -1.52 0.00 0.00 0.00 0.00 0.00 57.16 55.64 1pfj n GLU 36 Cb 0.00 -1.60 0.00 0.00 0.00 0.00 0.00 31.44 29.84 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 0.37 -2.44 2.67 8.31 0.00 -1.26 -4.96 105.19 107.87 1pfj n GLY 37 Ca 0.29 -0.28 -0.08 0.00 0.00 0.00 0.00 46.02 45.95 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 1.16 0.00 1.61 2.85 -1.26 -5.06 118.16 117.45 1pfj n LYS 38 Ca 0.00 -2.39 0.00 0.00 -1.05 0.00 0.00 58.31 54.87 1pfj n LYS 38 Cb 0.00 -0.60 0.00 0.00 -0.65 0.00 0.00 35.03 33.78 1pfj n LYS 38 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1pfj n ASP 39 N -0.31 0.00 0.01 -5.58 -0.08 -1.26 -5.08 116.55 104.26 1pfj n ASP 39 Ca 0.03 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.31 1pfj n ASP 39 Cb 0.82 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.28 1pfj n ASP 39 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1pfj n ARG 40 N 0.00 0.00 -4.10 -0.67 1.74 -1.26 -5.08 116.66 107.29 1pfj n ARG 40 Ca 0.00 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 56.81 1pfj n ARG 40 Cb 0.00 -0.03 -0.06 0.00 -1.02 0.00 0.00 32.46 31.35 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 -2.00 3.11 0.00 -1.55 0.08 -1.26 -4.68 117.98 111.68 1pfj s PHE 41 Ca 0.00 -0.03 0.00 0.00 0.12 0.00 0.00 56.93 57.02 1pfj s PHE 41 Cb 0.00 -1.50 0.00 0.00 -0.57 0.00 0.00 43.02 40.95 1pfj s PHE 41 CO 0.00 0.52 0.00 -2.37 -0.10 0.00 0.00 175.22 173.27 1pfj n THR 42 N -0.25 0.00 -3.70 0.64 5.66 0.90 -4.90 114.28 112.62 1pfj n THR 42 Ca -0.09 -0.10 -0.12 0.00 -3.05 0.00 0.00 64.05 60.70 1pfj n THR 42 Cb 0.54 0.54 -0.06 0.00 -1.55 0.00 0.00 70.33 69.81 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 -0.93 0.07 -0.29 1.09 1.01 0.14 -4.78 121.20 117.51 1pfj s ILE 43 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 60.65 60.05 1pfj s ILE 43 Cb 0.00 -1.01 0.19 0.00 0.01 0.00 0.00 42.46 41.65 1pfj s ILE 43 CO 0.00 -0.33 0.72 -0.44 0.00 0.00 0.00 174.94 174.89 1pfj s SER 44 N -2.24 -1.27 -0.27 3.58 0.01 -1.23 -1.48 113.70 110.81 1pfj s SER 44 Ca -0.03 0.23 -0.05 0.00 1.31 0.00 0.00 55.95 57.41 1pfj s SER 44 Cb 0.00 1.84 0.01 0.00 0.21 0.00 0.00 66.02 68.08 1pfj s SER 44 CO -0.05 -0.23 0.03 -1.00 0.41 0.00 0.00 173.24 172.40 1pfj s HIS 45 N 2.87 3.10 -0.13 2.43 0.09 0.45 -4.90 115.29 119.20 1pfj s HIS 45 Ca 0.15 -1.06 -0.29 0.00 -0.00 0.00 0.00 55.06 53.86 1pfj s HIS 45 Cb -0.09 -2.19 -0.04 0.00 -0.00 0.00 0.00 32.58 30.27 1pfj s HIS 45 CO -0.24 -0.59 1.59 1.41 -0.00 0.00 0.00 174.74 176.91 1pfj s MET 46 N 1.47 4.04 0.32 1.40 1.75 -1.26 -1.35 119.30 125.66 1pfj s MET 46 Ca 0.03 1.93 0.06 0.00 -1.25 0.00 0.00 55.69 56.46 1pfj s MET 46 Cb -0.16 -3.98 0.88 0.00 2.84 0.00 0.00 34.83 34.41 1pfj s MET 46 CO 0.00 -1.00 1.59 1.88 -0.65 0.00 0.00 175.02 176.84 1pfj h TYR 47 N 9.83 0.23 -0.22 4.11 0.05 0.30 2.63 116.97 133.89 1pfj h TYR 47 Ca -0.35 0.06 -0.12 0.00 0.05 0.00 0.00 58.73 58.37 1pfj h TYR 47 Cb 1.16 0.06 -0.01 0.00 1.01 0.00 0.00 36.73 38.95 1pfj h TYR 47 CO 0.88 -0.40 -0.35 0.00 -1.05 0.00 0.00 178.16 177.24 1pfj h ALA 48 N 1.95 0.98 0.00 3.88 0.00 -1.89 -1.11 119.26 123.06 1pfj h ALA 48 Ca 0.65 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1pfj h ALA 48 Cb 1.43 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1pfj h ALA 48 CO -0.84 0.61 0.00 -0.25 0.00 0.00 0.00 179.25 178.77 1pfj n ASP 49 N -4.06 0.00 -3.83 0.00 9.92 0.85 -4.62 116.55 114.81 1pfj n ASP 49 Ca -0.01 -0.07 -0.12 0.00 -0.53 0.00 0.00 54.79 54.06 1pfj n ASP 49 Cb 0.47 -0.19 -0.12 0.00 -0.64 0.00 0.00 41.12 40.64 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 -2.38 0.02 -0.25 0.53 -5.25 0.88 -4.03 121.20 110.71 1pfj s ILE 50 Ca 0.15 -0.15 -0.03 0.00 -0.99 0.00 0.00 60.65 59.63 1pfj s ILE 50 Cb 0.09 -0.28 0.10 0.00 2.95 0.00 0.00 42.46 45.32 1pfj s ILE 50 CO 0.18 -0.08 0.19 -0.75 -1.79 0.00 0.00 174.94 172.69 1pfj s LYS 51 N -0.22 0.21 0.00 0.37 2.36 0.40 -4.70 119.74 118.16 1pfj s LYS 51 Ca -0.03 -0.18 0.00 0.00 -2.55 0.00 0.00 55.97 53.21 1pfj s LYS 51 Cb -0.03 -1.12 0.00 0.00 -1.05 0.00 0.00 37.83 35.63 1pfj s LYS 51 CO 0.01 -0.89 0.00 0.00 1.55 0.00 0.00 175.35 176.02 1pfj s GLN 53 N -0.44 0.05 -0.19 0.00 -1.52 -1.26 -1.67 119.66 114.63 1pfj s GLN 53 Ca 0.00 0.52 -0.00 0.00 -1.95 0.00 0.00 55.36 53.93 1pfj s GLN 53 Cb 0.00 -0.24 0.05 0.00 -0.22 0.00 0.00 33.01 32.60 1pfj s GLN 53 CO 0.00 -0.27 -0.05 0.15 -0.25 0.00 0.00 175.29 174.87 1pfj s LYS 54 N 2.00 1.54 -0.29 2.91 -0.14 0.77 -4.95 119.74 121.57 1pfj s LYS 54 Ca -0.00 -0.70 -0.00 0.00 -1.36 0.00 0.00 55.97 53.90 1pfj s LYS 54 Cb -0.12 -2.26 0.14 0.00 -1.68 0.00 0.00 37.83 33.91 1pfj s LYS 54 CO -0.06 -0.49 0.31 0.96 -0.76 0.00 0.00 175.35 175.31 1pfj s ILE 55 N 1.54 -0.44 -0.16 2.17 -5.25 -1.26 0.23 121.20 118.03 1pfj s ILE 55 Ca -0.02 -0.44 0.15 0.00 -0.99 0.00 0.00 60.65 59.35 1pfj s ILE 55 Cb -0.17 -0.97 0.35 0.00 2.95 0.00 0.00 42.46 44.63 1pfj s ILE 55 CO -0.07 -0.43 1.18 -0.24 -1.79 0.00 0.00 174.94 173.59 1pfj n SER 56 N 5.32 1.95 -2.75 4.36 2.88 -1.26 -4.88 113.62 119.24 1pfj n SER 56 Ca -0.02 -3.46 -0.11 0.00 -1.33 0.00 0.00 58.87 53.95 1pfj n SER 56 Cb 0.47 -0.47 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 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 -1.20 1.26 -0.04 -1.46 -0.04 -1.26 -3.51 135.00 128.74 1pfj n PRO 57 Ca 0.17 -0.87 0.00 0.00 -0.04 0.00 0.00 63.50 62.76 1pfj n PRO 57 Cb 0.68 -2.06 -0.12 0.00 -0.04 0.00 0.00 33.50 31.96 1pfj n PRO 57 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1pfj n GLU 58 N 3.67 1.05 -1.20 0.54 4.07 -1.26 -4.51 120.64 122.99 1pfj n GLU 58 Ca 0.27 -0.07 0.01 0.00 -0.06 0.00 0.00 57.16 57.31 1pfj n GLU 58 Cb 0.23 -1.38 0.00 0.00 -0.06 0.00 0.00 31.44 30.23 1pfj n GLU 58 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1pfj n GLY 59 N 1.85 0.83 0.00 8.31 0.00 -1.23 -5.11 105.19 109.84 1pfj n GLY 59 Ca -0.14 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.36 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 0.31 0.92 0.00 1.61 4.76 -1.26 -5.00 118.16 119.50 1pfj n LYS 60 Ca -0.01 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.43 1pfj n LYS 60 Cb 0.97 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 34.16 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 -0.13 -2.68 7.82 0.00 -1.26 -4.64 120.51 116.62 1pfj n ALA 61 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1pfj n ALA 61 Cb 0.00 0.37 0.06 0.00 0.00 0.00 0.00 19.45 19.88 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 -2.72 0.50 -1.23 0.00 2.85 -1.26 -5.05 118.16 111.26 1pfj n LYS 62 Ca 0.00 -1.11 0.00 0.00 -1.05 0.00 0.00 58.31 56.15 1pfj n LYS 62 Cb 0.00 -0.20 0.00 0.00 -0.65 0.00 0.00 35.03 34.18 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 -0.13 -0.94 -5.15 0.58 -5.35 -1.26 -4.38 119.36 102.73 1pfj n ILE 63 Ca -0.12 0.00 -0.30 0.00 -0.27 0.00 0.00 62.75 62.06 1pfj n ILE 63 Cb 0.73 -2.92 -0.17 0.00 -1.74 0.00 0.00 39.64 35.54 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 -2.55 2.50 0.35 6.28 -2.07 -1.26 -2.80 119.66 120.12 1pfj s GLN 64 Ca 0.00 -0.82 0.09 0.00 -1.82 0.00 0.00 55.36 52.80 1pfj s GLN 64 Cb 0.00 -2.06 -0.07 0.00 -1.09 0.00 0.00 33.01 29.80 1pfj s GLN 64 CO 0.00 0.29 -0.08 -0.48 -1.32 0.00 0.00 175.29 173.70 1pfj s LEU 65 N 0.04 2.73 -0.02 2.60 -0.00 -0.09 -4.11 118.68 119.83 1pfj s LEU 65 Ca -0.08 -1.22 -0.01 0.00 -0.00 0.00 0.00 54.13 52.82 1pfj s LEU 65 Cb -0.15 -0.96 0.01 0.00 -0.00 0.00 0.00 46.19 45.10 1pfj s LEU 65 CO 0.05 -0.25 0.04 -1.10 -0.00 0.00 0.00 176.35 175.09 1pfj s GLN 66 N -3.63 0.02 0.01 1.48 -0.21 0.62 -1.73 119.66 116.22 1pfj s GLN 66 Ca 0.33 0.10 -0.01 0.00 0.02 0.00 0.00 55.36 55.80 1pfj s GLN 66 Cb 0.04 -0.06 -0.01 0.00 1.00 0.00 0.00 33.01 33.97 1pfj s GLN 66 CO 0.16 -0.06 -0.00 -1.17 -2.12 0.00 0.00 175.29 172.10 1pfj s LEU 67 N 0.35 2.12 0.18 2.90 2.96 0.10 0.27 118.68 127.56 1pfj s LEU 67 Ca -0.03 -0.40 0.08 0.00 -0.22 0.00 0.00 54.13 53.56 1pfj s LEU 67 Cb -0.04 0.16 -0.04 0.00 0.50 0.00 0.00 46.19 46.77 1pfj s LEU 67 CO -0.01 -0.27 -0.15 -0.69 -1.32 0.00 0.00 176.35 173.90 1pfj s VAL 68 N -1.26 1.68 0.10 1.68 1.01 -0.67 0.22 120.40 123.16 1pfj s VAL 68 Ca -0.14 -2.03 -0.13 0.00 0.00 0.00 0.00 61.98 59.68 1pfj s VAL 68 Cb -0.08 -1.89 -0.06 0.00 0.00 0.00 0.00 36.38 34.34 1pfj s VAL 68 CO -0.01 -0.48 0.47 -0.76 0.00 0.00 0.00 175.10 174.33 1pfj s LEU 69 N -2.96 4.37 0.54 3.92 1.43 0.38 0.15 118.68 126.51 1pfj s LEU 69 Ca 0.18 0.96 0.38 0.00 -1.03 0.00 0.00 54.13 54.62 1pfj s LEU 69 Cb -0.03 -3.05 1.56 0.00 0.03 0.00 0.00 46.19 44.70 1pfj s LEU 69 CO 0.06 0.17 1.76 1.12 0.23 0.00 0.00 176.35 179.69 1pfj h HIS 70 N 3.82 0.05 -0.28 0.29 2.07 -1.80 -3.36 115.15 115.94 1pfj h HIS 70 Ca -0.49 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.03 1pfj h HIS 70 Cb 1.20 -0.01 0.00 0.00 2.57 0.00 0.00 27.41 31.16 1pfj h HIS 70 CO 0.67 -0.00 0.00 0.00 -3.07 0.00 0.00 177.93 175.52 1pfj n ALA 71 N -2.78 0.00 -2.42 6.11 0.00 -1.26 -4.92 120.51 115.24 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 1.37 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.82 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 4.10 5.81 3.02 0.00 0.00 -1.26 -4.95 105.19 111.92 1pfj n GLY 72 Ca 0.00 -2.65 -0.24 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 -2.34 1.66 0.34 1.61 1.01 -1.26 -4.98 116.67 112.71 1pfj s ASP 73 Ca 0.48 -0.27 0.08 0.00 0.71 0.00 0.00 52.55 53.54 1pfj s ASP 73 Cb 0.35 -0.68 -0.03 0.00 1.01 0.00 0.00 42.92 43.57 1pfj s ASP 73 CO -0.24 0.05 0.27 -0.89 0.21 0.00 0.00 175.17 174.57 1pfj s THR 74 N 0.52 3.44 -0.22 -1.27 2.01 -1.26 0.14 115.64 119.01 1pfj s THR 74 Ca -0.11 -1.42 -0.04 0.00 0.31 0.00 0.00 61.69 60.43 1pfj s THR 74 Cb -0.14 -3.15 0.08 0.00 0.01 0.00 0.00 72.50 69.30 1pfj s THR 74 CO 0.03 -0.17 0.13 -0.89 -0.69 0.00 0.00 174.62 173.02 1pfj s THR 75 N -2.33 -0.12 -0.01 -0.82 2.01 0.60 -4.90 115.64 110.08 1pfj s THR 75 Ca 0.40 -0.39 0.02 0.00 0.31 0.00 0.00 61.69 62.03 1pfj s THR 75 Cb -0.05 -0.75 -0.03 0.00 0.01 0.00 0.00 72.50 71.67 1pfj s THR 75 CO 0.26 -0.45 -0.03 0.20 -0.69 0.00 0.00 174.62 173.91 1pfj s ASN 76 N 2.15 4.90 -0.04 3.53 -0.87 -1.26 -0.72 114.94 122.63 1pfj s ASN 76 Ca 0.05 -0.06 -0.11 0.00 -1.57 0.00 0.00 52.86 51.18 1pfj s ASN 76 Cb -0.16 -1.23 0.02 0.00 -0.02 0.00 0.00 41.25 39.86 1pfj s ASN 76 CO -0.21 0.29 0.25 -0.36 -2.57 0.00 0.00 177.10 174.50 1pfj s PHE 77 N -1.03 -0.16 0.08 2.20 0.08 -0.71 -4.78 117.98 113.67 1pfj s PHE 77 Ca 0.18 0.33 0.01 0.00 0.12 0.00 0.00 56.93 57.57 1pfj s PHE 77 Cb -0.11 0.06 -0.04 0.00 -0.57 0.00 0.00 43.02 42.36 1pfj s PHE 77 CO 0.08 -0.28 -0.06 -1.58 -0.10 0.00 0.00 175.22 173.29 1pfj s HIS 78 N -0.82 0.78 -0.04 0.36 5.65 0.59 -0.92 115.29 120.88 1pfj s HIS 78 Ca -0.09 -0.85 0.04 0.00 0.25 0.00 0.00 55.06 54.41 1pfj s HIS 78 Cb -0.05 -0.47 -0.00 0.00 -1.18 0.00 0.00 32.58 30.88 1pfj s HIS 78 CO 0.02 -0.17 -0.16 -0.06 -0.65 0.00 0.00 174.74 173.72 1pfj s PHE 79 N -3.20 1.64 -0.26 3.88 0.40 -1.12 0.26 117.98 119.58 1pfj s PHE 79 Ca 0.06 -0.47 0.01 0.00 -0.60 0.00 0.00 56.93 55.93 1pfj s PHE 79 Cb 0.02 -1.11 0.04 0.00 0.51 0.00 0.00 43.02 42.48 1pfj s PHE 79 CO -0.05 -0.17 0.95 0.45 0.70 0.00 0.00 175.22 177.11 1pfj n SER 80 N 3.18 -0.91 0.00 1.36 2.88 -1.26 -4.41 113.62 114.46 1pfj n SER 80 Ca -0.18 -1.50 0.00 0.00 -1.33 0.00 0.00 58.87 55.85 1pfj n SER 80 Cb 0.53 0.83 0.00 0.00 -0.75 0.00 0.00 64.21 64.82 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 -0.44 0.00 0.00 -3.46 5.03 -1.26 -4.76 115.26 110.36 1pfj n ASN 81 Ca -0.24 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.21 1pfj n ASN 81 Cb 0.61 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.37 1pfj n ASN 81 CO 0.00 0.00 0.00 -1.84 -1.83 0.00 0.00 177.26 173.59 1pfj n GLU 82 N 0.00 0.00 -2.70 3.52 0.00 -1.26 -4.21 120.64 116.00 1pfj n GLU 82 Ca 0.00 0.17 -0.05 0.00 0.00 0.00 0.00 57.16 57.28 1pfj n GLU 82 Cb 0.00 -0.70 0.04 0.00 0.00 0.00 0.00 31.44 30.78 1pfj n GLU 82 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 1pfj n SER 83 N -0.38 2.06 0.10 -1.84 7.64 -1.26 -4.84 113.62 115.10 1pfj n SER 83 Ca 0.00 -2.40 0.12 0.00 1.01 0.00 0.00 58.87 57.60 1pfj n SER 83 Cb 0.00 -0.47 0.12 0.00 -1.01 0.00 0.00 64.21 62.85 1pfj n SER 83 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pfj h THR 84 N 4.66 0.00 -0.17 0.44 1.03 -1.86 -3.42 112.91 113.59 1pfj h THR 84 Ca -0.06 -0.76 -0.04 0.00 -0.01 0.00 0.00 66.41 65.55 1pfj h THR 84 Cb 1.28 1.39 -0.00 0.00 -1.07 0.00 0.00 68.15 69.75 1pfj h THR 84 CO 0.32 0.00 0.11 0.00 -0.01 0.00 0.00 175.52 175.95 1pfj s ALA 85 N -3.24 0.57 0.00 0.00 0.00 -1.26 -4.43 121.76 113.39 1pfj s ALA 85 Ca 0.04 -1.41 0.00 0.00 0.00 0.00 0.00 51.96 50.59 1pfj s ALA 85 Cb 0.11 -4.68 0.00 0.00 0.00 0.00 0.00 23.12 18.54 1pfj s ALA 85 CO 0.73 -6.69 0.00 0.28 0.00 0.00 0.00 175.76 170.08 1pfj n VAL 86 N 8.94 0.00 -0.15 0.00 0.31 -1.26 -4.90 118.33 121.27 1pfj n VAL 86 Ca 0.42 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.68 1pfj n VAL 86 Cb 0.46 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 33.40 1pfj n VAL 86 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1pfj h LYS 87 N 0.00 0.59 0.00 5.55 3.64 -1.97 0.44 116.57 124.82 1pfj h LYS 87 Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1pfj h LYS 87 Cb 0.00 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.69 1pfj h LYS 87 CO 0.00 0.39 0.00 -0.85 -2.27 0.00 0.00 179.45 176.72 1pfj n GLU 88 N -4.77 0.00 -0.20 1.90 0.00 -1.26 0.56 120.64 116.87 1pfj n GLU 88 Ca 0.02 0.82 -0.02 0.00 0.00 0.00 0.00 57.16 57.97 1pfj n GLU 88 Cb 0.02 -1.30 0.09 0.00 0.00 0.00 0.00 31.44 30.25 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 0.51 -0.93 3.44 2.47 -1.77 -0.94 114.38 117.17 1pfj h ARG 89 Ca 0.00 -0.03 0.13 0.00 -1.26 0.00 0.00 59.98 58.82 1pfj h ARG 89 Cb 0.00 -0.12 -0.14 0.00 -1.65 0.00 0.00 29.97 28.06 1pfj h ARG 89 CO 0.00 0.34 -0.39 -3.47 0.56 0.00 0.00 179.97 177.00 1pfj n ASP 90 N -4.89 -0.67 -0.09 7.04 -0.08 0.81 0.25 116.55 118.93 1pfj n ASP 90 Ca 0.07 1.62 -0.01 0.00 -1.51 0.00 0.00 54.79 54.96 1pfj n ASP 90 Cb 0.19 -0.34 0.26 0.00 2.34 0.00 0.00 41.12 43.57 1pfj n ASP 90 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1pfj h ALA 91 N 1.14 1.36 0.23 -1.67 0.00 0.15 0.64 119.26 121.10 1pfj h ALA 91 Ca 0.29 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1pfj h ALA 91 Cb 0.52 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1pfj h ALA 91 CO -0.91 0.47 -0.47 0.28 0.00 0.00 0.00 179.25 178.61 1pfj h VAL 92 N 0.71 0.00 0.01 0.00 2.07 0.40 0.14 116.25 119.58 1pfj h VAL 92 Ca 0.17 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.71 1pfj h VAL 92 Cb 0.20 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 29.93 1pfj h VAL 92 CO -0.01 0.00 -0.21 0.50 0.02 0.00 0.00 177.57 177.87 1pfj h LYS 93 N -0.77 -0.32 -1.04 1.57 3.64 -0.76 0.87 116.57 119.77 1pfj h LYS 93 Ca -0.02 0.02 0.30 0.00 -1.27 0.00 0.00 60.65 59.68 1pfj h LYS 93 Cb 0.73 0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.58 1pfj h LYS 93 CO -0.19 -0.21 1.20 -3.47 -2.27 0.00 0.00 179.45 174.51 1pfj n ASP 94 N -5.33 0.00 -0.06 4.20 -0.08 0.22 0.16 116.55 115.65 1pfj n ASP 94 Ca -0.05 0.75 -0.22 0.00 -1.51 0.00 0.00 54.79 53.76 1pfj n ASP 94 Cb 0.25 -0.26 -0.12 0.00 2.34 0.00 0.00 41.12 43.32 1pfj n ASP 94 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1pfj n LEU 95 N -3.21 2.32 -0.27 -2.67 4.77 0.36 -4.08 117.00 114.22 1pfj n LEU 95 Ca 0.23 0.27 -0.07 0.00 -0.03 0.00 0.00 56.01 56.41 1pfj n LEU 95 Cb 1.52 -1.01 -0.06 0.00 -2.33 0.00 0.00 43.42 41.53 1pfj n LEU 95 CO 0.23 0.62 0.40 0.18 -1.33 0.00 0.00 177.39 177.49 1pfj n LEU 96 N -3.89 -0.67 0.00 2.23 4.77 0.41 0.38 117.00 120.22 1pfj n LEU 96 Ca -0.36 1.32 0.03 0.00 -0.03 0.00 0.00 56.01 56.97 1pfj n LEU 96 Cb 0.89 -0.24 0.18 0.00 -2.33 0.00 0.00 43.42 41.92 1pfj n LEU 96 CO 0.28 -1.01 0.41 0.00 -1.33 0.00 0.00 177.39 175.74 1pfj n GLN 97 N -4.52 0.19 -0.06 3.23 3.00 -1.08 -1.42 117.38 116.72 1pfj n GLN 97 Ca 0.01 0.00 -0.19 0.00 -0.01 0.00 0.00 57.00 56.81 1pfj n GLN 97 Cb 0.16 -1.49 -0.13 0.00 0.00 0.00 0.00 30.24 28.79 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 -0.99 0.70 0.08 -1.09 0.00 1.20 -4.27 117.38 113.01 1pfj n GLN 98 Ca 0.05 0.20 -0.10 0.00 -0.00 0.00 0.00 57.00 57.14 1pfj n GLN 98 Cb 0.02 -1.62 -0.12 0.00 0.00 0.00 0.00 30.24 28.52 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 0.03 0.17 -1.05 1.69 4.07 -0.19 -3.28 115.31 116.74 1pfj h LEU 99 Ca -0.50 -0.18 0.40 0.00 0.08 0.00 0.00 57.88 57.68 1pfj h LEU 99 Cb 1.98 -0.05 -0.17 0.00 1.08 0.00 0.00 40.66 43.50 1pfj h LEU 99 CO 0.00 1.13 0.59 -0.07 -1.08 0.00 0.00 178.44 179.02 1pfj h LEU 100 N 0.03 0.36 0.00 1.67 3.38 -1.42 2.73 115.31 122.06 1pfj h LEU 100 Ca -0.06 0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1pfj h LEU 100 Cb 1.84 0.22 0.00 0.00 0.09 0.00 0.00 40.66 42.80 1pfj h LEU 100 CO 0.16 -0.33 0.00 -2.65 0.09 0.00 0.00 178.44 175.71 1pfj n PRO 101 N -5.13 0.35 -0.06 1.13 -0.02 -1.24 -2.35 135.00 127.67 1pfj n PRO 101 Ca 0.36 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.62 1pfj n PRO 101 Cb 1.23 -1.49 -0.12 0.00 -0.02 0.00 0.00 33.50 33.10 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 -0.99 0.65 0.00 -0.52 4.81 0.92 -4.39 118.16 118.64 1pfj n LYS 102 Ca 0.08 0.40 0.11 0.00 -0.87 0.00 0.00 58.31 58.04 1pfj n LYS 102 Cb 0.04 -1.70 0.02 0.00 0.02 0.00 0.00 35.03 33.40 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 -3.96 0.00 -0.47 5.64 -1.74 -1.17 -4.16 117.46 111.59 1pfj n PHE 103 Ca -0.34 0.00 -0.14 0.00 -0.56 0.00 0.00 57.45 56.41 1pfj n PHE 103 Cb 0.87 -0.00 0.13 0.00 1.52 0.00 0.00 39.48 42.00 1pfj n PHE 103 CO 0.00 0.00 0.00 1.63 -0.56 0.00 0.00 176.76 177.83 1pfj n LYS 104 N 0.25 1.99 0.00 3.97 5.02 -0.99 -4.82 118.16 123.58 1pfj n LYS 104 Ca 0.10 -2.02 0.00 0.00 -2.02 0.00 0.00 58.31 54.37 1pfj n LYS 104 Cb 0.50 -1.81 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 1pfj n LYS 104 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1pfj n ARG 105 N -0.51 0.00 0.00 1.97 5.12 -1.26 -5.00 116.66 116.98 1pfj n ARG 105 Ca 0.38 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.30 1pfj n ARG 105 Cb 1.25 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 32.55 1pfj n ARG 105 CO 0.00 0.00 0.00 0.36 -1.93 0.00 0.00 177.63 176.06 1pfj n LYS 106 N 0.00 0.00 -0.00 5.56 0.00 -1.26 -4.90 118.16 117.56 1pfj n LYS 106 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 58.31 58.12 1pfj n LYS 106 Cb 0.00 -0.45 -0.14 0.00 -0.00 0.00 0.00 35.03 34.45 1pfj n LYS 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1pfj h ALA 107 N 0.00 0.04 -0.01 0.58 0.00 -1.96 -3.56 119.26 114.35 1pfj h ALA 107 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 54.91 54.09 1pfj h ALA 107 Cb 0.00 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1pfj h ALA 107 CO 0.00 0.46 0.00 -1.71 0.00 0.00 0.00 179.25 178.00