#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pfj h ALA 2 N 0.00 -0.95 0.00 -5.12 0.00 -2.02 -3.41 119.26 107.75 1pfj h ALA 2 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1pfj h ALA 2 Cb 0.00 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1pfj h ALA 2 CO 0.00 -0.94 -0.15 0.25 0.00 0.00 0.00 179.25 178.41 1pfj n THR 3 N -2.36 0.10 -0.81 0.00 -2.24 -1.26 -5.08 114.28 102.65 1pfj n THR 3 Ca -0.02 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 1pfj n THR 3 Cb 0.05 0.79 0.00 0.00 -2.10 0.00 0.00 70.33 69.07 1pfj n THR 3 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1pfj n SER 4 N -0.07 0.00 0.00 3.42 7.64 -1.26 -5.14 113.62 118.21 1pfj n SER 4 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1pfj n SER 4 Cb 0.55 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.75 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 0.00 0.00 -4.68 6.43 7.64 -1.26 -4.78 113.62 116.97 1pfj n SER 5 Ca 0.00 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.56 1pfj n SER 5 Cb 0.00 0.00 0.15 0.00 -1.01 0.00 0.00 64.21 63.35 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 3.33 1.22 -0.25 1.43 -1.05 -1.26 -4.15 118.70 117.98 1pfj s GLU 6 Ca 0.00 1.58 0.02 0.00 -0.15 0.00 0.00 54.97 56.42 1pfj s GLU 6 Cb 0.00 -1.75 0.05 0.00 -0.44 0.00 0.00 34.13 31.99 1pfj s GLU 6 CO 0.00 -2.49 -0.12 -1.21 0.95 0.00 0.00 175.26 172.40 1pfj s GLU 7 N -4.55 2.43 0.17 -4.83 2.02 -1.26 -4.90 118.70 107.79 1pfj s GLU 7 Ca 0.68 -1.22 0.02 0.00 0.02 0.00 0.00 54.97 54.46 1pfj s GLU 7 Cb -0.24 -2.85 -0.04 0.00 0.10 0.00 0.00 34.13 31.11 1pfj s GLU 7 CO 0.56 -0.49 0.32 0.14 0.02 0.00 0.00 175.26 175.81 1pfj s VAL 8 N 1.16 5.28 -0.27 2.63 -7.23 -1.26 -3.04 120.40 117.67 1pfj s VAL 8 Ca -0.06 -0.60 -0.12 0.00 -1.81 0.00 0.00 61.98 59.40 1pfj s VAL 8 Cb -0.18 -3.75 -0.14 0.00 0.56 0.00 0.00 36.38 32.87 1pfj s VAL 8 CO -0.06 -0.14 -0.26 -0.11 -0.31 0.00 0.00 175.10 174.22 1pfj n LEU 9 N -0.64 2.14 -3.62 1.32 7.94 -0.51 -4.79 117.00 118.83 1pfj n LEU 9 Ca -0.06 0.27 -0.15 0.00 -1.11 0.00 0.00 56.01 54.95 1pfj n LEU 9 Cb 0.54 -0.86 -0.07 0.00 0.53 0.00 0.00 43.42 43.56 1pfj n LEU 9 CO 0.48 0.61 0.40 -0.22 -1.11 0.00 0.00 177.39 177.56 1pfj s LEU 10 N -7.37 -0.64 -0.08 -1.96 0.20 -0.92 -5.00 118.68 102.91 1pfj s LEU 10 Ca -0.37 1.24 0.05 0.00 0.69 0.00 0.00 54.13 55.74 1pfj s LEU 10 Cb 0.13 2.40 -0.01 0.00 -0.43 0.00 0.00 46.19 48.28 1pfj s LEU 10 CO 0.53 -0.32 -0.22 -0.51 -0.29 0.00 0.00 176.35 175.53 1pfj s ILE 11 N 0.02 2.25 -0.45 6.68 -1.16 -1.26 0.14 121.20 127.42 1pfj s ILE 11 Ca -0.02 -0.98 -0.00 0.00 -0.51 0.00 0.00 60.65 59.14 1pfj s ILE 11 Cb -0.04 -1.85 0.12 0.00 0.61 0.00 0.00 42.46 41.30 1pfj s ILE 11 CO 0.03 0.56 0.22 0.68 -2.81 0.00 0.00 174.94 173.62 1pfj s VAL 12 N 0.01 3.01 0.56 4.00 -7.23 0.60 -4.92 120.40 116.44 1pfj s VAL 12 Ca -0.08 -2.47 0.35 0.00 -1.81 0.00 0.00 61.98 57.97 1pfj s VAL 12 Cb -0.15 -3.08 0.35 0.00 0.56 0.00 0.00 36.38 34.06 1pfj s VAL 12 CO 0.05 -0.72 2.07 0.07 -0.31 0.00 0.00 175.10 176.26 1pfj h LYS 13 N 7.54 0.00 -4.99 4.82 -0.00 -1.92 0.69 116.57 122.71 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 1.00 0.00 -0.33 0.00 -0.00 0.00 0.00 32.23 32.90 1pfj h LYS 13 CO 0.65 0.00 -0.80 0.21 -0.00 0.00 0.00 179.45 179.52 1pfj s LYS 14 N -4.03 2.97 -0.04 0.07 2.47 -1.26 -3.55 119.74 116.36 1pfj s LYS 14 Ca -0.04 -0.87 -0.16 0.00 -1.56 0.00 0.00 55.97 53.34 1pfj s LYS 14 Cb 0.10 -2.79 0.03 0.00 -1.46 0.00 0.00 37.83 33.71 1pfj s LYS 14 CO 0.32 -0.29 0.36 0.08 0.16 0.00 0.00 175.35 175.99 1pfj s VAL 15 N 1.32 0.04 0.01 4.02 1.01 0.13 -4.72 120.40 122.21 1pfj s VAL 15 Ca 0.03 -0.33 0.08 0.00 0.00 0.00 0.00 61.98 61.75 1pfj s VAL 15 Cb -0.15 -0.64 -0.02 0.00 0.00 0.00 0.00 36.38 35.57 1pfj s VAL 15 CO -0.08 -0.18 -0.25 -0.60 0.00 0.00 0.00 175.10 173.99 1pfj s ARG 16 N -1.01 1.84 -0.10 2.72 3.52 0.60 0.17 118.95 126.69 1pfj s ARG 16 Ca -0.11 -0.96 -0.05 0.00 -0.13 0.00 0.00 55.73 54.48 1pfj s ARG 16 Cb -0.04 -1.88 0.04 0.00 -1.56 0.00 0.00 34.95 31.51 1pfj s ARG 16 CO 0.04 0.50 0.23 1.14 -0.81 0.00 0.00 175.30 176.40 1pfj s GLN 17 N -0.86 0.20 0.53 5.12 -2.07 0.62 0.20 119.66 123.40 1pfj s GLN 17 Ca 0.10 0.46 0.13 0.00 -1.82 0.00 0.00 55.36 54.24 1pfj s GLN 17 Cb -0.09 -0.08 0.46 0.00 -1.09 0.00 0.00 33.01 32.21 1pfj s GLN 17 CO 0.00 -0.14 0.99 1.63 -1.32 0.00 0.00 175.29 176.45 1pfj n LYS 18 N 3.96 0.02 -0.06 9.60 5.02 -1.26 0.73 118.16 136.17 1pfj n LYS 18 Ca -0.23 0.83 -0.06 0.00 -2.02 0.00 0.00 58.31 56.83 1pfj n LYS 18 Cb 0.54 -2.13 -0.06 0.00 -0.02 0.00 0.00 35.03 33.36 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 -3.63 1.97 2.10 -1.94 -3.49 116.57 111.58 1pfj h LYS 19 Ca 0.25 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.84 1pfj h LYS 19 Cb 2.15 0.00 -0.10 0.00 -0.90 0.00 0.00 32.23 33.39 1pfj h LYS 19 CO -0.00 0.44 -0.12 -1.14 -2.00 0.00 0.00 179.45 176.62 1pfj s GLN 20 N -1.87 1.47 -0.17 0.07 0.74 0.22 -5.13 119.66 114.99 1pfj s GLN 20 Ca -0.08 -1.18 -0.06 0.00 0.05 0.00 0.00 55.36 54.09 1pfj s GLN 20 Cb -0.01 0.47 -0.03 0.00 1.10 0.00 0.00 33.01 34.53 1pfj s GLN 20 CO 0.31 -0.60 0.02 -0.51 -0.55 0.00 0.00 175.29 173.95 1pfj s ASP 21 N -2.99 5.25 0.19 6.67 1.01 -1.26 -0.28 116.67 125.27 1pfj s ASP 21 Ca 0.20 -0.02 -0.23 0.00 0.71 0.00 0.00 52.55 53.20 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 0.06 0.16 0.75 -0.83 0.21 0.00 0.00 175.17 175.52 1pfj s GLY 22 N 0.43 -0.31 0.05 0.21 0.00 0.44 -4.75 107.32 103.38 1pfj s GLY 22 Ca 0.00 0.15 -0.25 0.00 0.00 0.00 0.00 44.72 44.62 1pfj s GLY 22 CO 0.01 0.05 0.76 0.00 0.00 0.00 0.00 173.10 173.93 1pfj s ALA 23 N -3.66 3.37 -0.12 3.20 0.00 0.27 0.18 121.76 125.00 1pfj s ALA 23 Ca 0.08 0.28 -0.03 0.00 0.00 0.00 0.00 51.96 52.29 1pfj s ALA 23 Cb -0.03 -2.99 -0.03 0.00 0.00 0.00 0.00 23.12 20.06 1pfj s ALA 23 CO -0.01 0.07 -0.01 -0.51 0.00 0.00 0.00 175.76 175.29 1pfj s LEU 24 N -0.07 3.44 -0.09 0.00 1.43 0.24 0.90 118.68 124.54 1pfj s LEU 24 Ca 0.38 0.03 0.03 0.00 -1.03 0.00 0.00 54.13 53.54 1pfj s LEU 24 Cb -0.20 -1.80 -0.01 0.00 0.03 0.00 0.00 46.19 44.20 1pfj s LEU 24 CO 0.23 0.29 -0.19 -0.31 0.23 0.00 0.00 176.35 176.59 1pfj s TYR 25 N -0.34 2.62 -0.14 0.29 2.02 0.36 0.22 117.35 122.39 1pfj s TYR 25 Ca 0.06 -0.65 -0.03 0.00 -0.37 0.00 0.00 57.07 56.08 1pfj s TYR 25 Cb -0.12 -1.70 -0.03 0.00 -0.40 0.00 0.00 41.96 39.71 1pfj s TYR 25 CO 0.02 -0.18 -0.05 -1.17 -1.57 0.00 0.00 175.55 172.60 1pfj s LEU 26 N -0.02 3.16 0.16 -1.29 0.20 0.37 0.17 118.68 121.44 1pfj s LEU 26 Ca -0.06 -0.15 0.10 0.00 0.69 0.00 0.00 54.13 54.72 1pfj s LEU 26 Cb -0.15 -1.75 -0.04 0.00 -0.43 0.00 0.00 46.19 43.83 1pfj s LEU 26 CO 0.05 0.19 -0.20 -0.32 -0.29 0.00 0.00 176.35 175.78 1pfj s MET 27 N 0.22 1.67 0.18 1.98 -2.45 0.43 -1.43 119.30 119.91 1pfj s MET 27 Ca -0.04 -1.35 -0.19 0.00 -1.25 0.00 0.00 55.69 52.86 1pfj s MET 27 Cb -0.14 -1.99 0.12 0.00 1.25 0.00 0.00 34.83 34.08 1pfj s MET 27 CO 0.03 0.44 1.35 0.00 1.05 0.00 0.00 175.02 177.89 1pfj n ALA 28 N 0.48 -0.25 0.16 4.11 0.00 -1.17 -0.96 120.51 122.88 1pfj n ALA 28 Ca -0.14 0.83 0.10 0.00 0.00 0.00 0.00 53.44 54.22 1pfj n ALA 28 Cb 0.54 -0.30 0.19 0.00 0.00 0.00 0.00 19.45 19.88 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 -5.22 2.33 -3.68 0.00 2.13 -1.26 -4.94 120.64 109.99 1pfj n GLU 29 Ca 0.07 -2.12 -0.09 0.00 0.66 0.00 0.00 57.16 55.67 1pfj n GLU 29 Cb 0.31 -1.43 -0.02 0.00 0.27 0.00 0.00 31.44 30.57 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 -1.26 1.57 -0.09 5.31 1.70 -0.13 0.19 118.95 126.24 1pfj s ARG 30 Ca 0.33 -0.78 -0.01 0.00 -0.47 0.00 0.00 55.73 54.80 1pfj s ARG 30 Cb 0.19 0.60 -0.03 0.00 -0.57 0.00 0.00 34.95 35.14 1pfj s ARG 30 CO 0.26 -0.71 -0.04 0.42 -1.08 0.00 0.00 175.30 174.15 1pfj s ILE 31 N -3.85 3.95 0.11 4.99 -1.09 -0.52 0.16 121.20 124.96 1pfj s ILE 31 Ca 0.07 -0.37 0.08 0.00 -2.23 0.00 0.00 60.65 58.20 1pfj s ILE 31 Cb -0.04 -2.66 -0.04 0.00 -1.58 0.00 0.00 42.46 38.15 1pfj s ILE 31 CO -0.01 0.58 -0.20 0.00 -1.23 0.00 0.00 174.94 174.07 1pfj s ALA 32 N -0.57 1.85 0.02 9.38 0.00 0.45 -0.33 121.76 132.56 1pfj s ALA 32 Ca 0.09 -1.29 0.07 0.00 0.00 0.00 0.00 51.96 50.82 1pfj s ALA 32 Cb -0.12 -0.23 -0.02 0.00 0.00 0.00 0.00 23.12 22.75 1pfj s ALA 32 CO 0.02 0.34 -0.20 -0.46 0.00 0.00 0.00 175.76 175.46 1pfj s TRP 33 N -1.33 1.79 -0.18 0.00 -0.00 -0.57 0.14 118.94 118.79 1pfj s TRP 33 Ca 0.08 -0.36 -0.08 0.00 -0.00 0.00 0.00 56.10 55.74 1pfj s TRP 33 Cb -0.09 -1.09 0.07 0.00 -0.00 0.00 0.00 33.47 32.35 1pfj s TRP 33 CO 0.05 0.05 0.41 0.00 -0.00 0.00 0.00 176.95 177.45 1pfj s ALA 34 N -0.69 -1.07 1.05 5.86 0.00 0.26 0.33 121.76 127.51 1pfj s ALA 34 Ca 0.07 1.49 -0.06 0.00 0.00 0.00 0.00 51.96 53.47 1pfj s ALA 34 Cb -0.08 -1.08 0.09 0.00 0.00 0.00 0.00 23.12 22.05 1pfj s ALA 34 CO 0.01 -0.46 0.38 -0.35 0.00 0.00 0.00 175.76 175.34 1pfj n PRO 35 N 4.72 -1.24 -1.58 0.00 -0.04 -1.24 0.94 135.00 136.56 1pfj n PRO 35 Ca -0.17 -0.61 -0.20 0.00 -0.04 0.00 0.00 63.50 62.48 1pfj n PRO 35 Cb 0.53 -0.50 0.08 0.00 -0.04 0.00 0.00 33.50 33.56 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 -2.35 2.99 0.00 0.54 4.07 -1.26 -4.54 120.64 120.09 1pfj n GLU 36 Ca 0.05 -3.79 0.00 0.00 -0.06 0.00 0.00 57.16 53.37 1pfj n GLU 36 Cb 0.19 -2.15 0.00 0.00 -0.06 0.00 0.00 31.44 29.42 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 -0.85 -0.45 0.00 8.31 0.00 -1.26 -5.12 105.19 105.82 1pfj n GLY 37 Ca 0.43 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.47 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 -2.21 2.89 -2.82 1.61 4.81 -1.26 -4.89 118.16 116.29 1pfj n LYS 38 Ca 0.00 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.02 1pfj n LYS 38 Cb 0.00 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.01 1pfj n LYS 38 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1pfj s ASP 39 N -1.35 6.72 0.00 3.14 2.15 -1.26 -4.94 116.67 121.13 1pfj s ASP 39 Ca 0.00 0.69 0.00 0.00 0.43 0.00 0.00 52.55 53.67 1pfj s ASP 39 Cb 0.00 -2.46 0.00 0.00 -0.30 0.00 0.00 42.92 40.16 1pfj s ASP 39 CO 0.00 -0.78 0.00 -2.11 -0.17 0.00 0.00 175.17 172.11 1pfj n ARG 40 N 6.60 0.00 -1.71 4.34 1.85 -1.26 -3.94 116.66 122.53 1pfj n ARG 40 Ca 0.07 0.00 -0.58 0.00 -1.00 0.00 0.00 57.85 56.34 1pfj n ARG 40 Cb 0.48 0.00 -0.07 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 2.04 0.00 2.89 3.72 -1.26 -3.67 117.46 121.17 1pfj n PHE 41 Ca 0.00 0.56 0.00 0.00 -0.05 0.00 0.00 57.45 57.96 1pfj n PHE 41 Cb 0.00 -2.45 0.00 0.00 -0.94 0.00 0.00 39.48 36.09 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 4.54 0.00 -3.68 4.37 5.66 1.01 -4.91 114.28 121.27 1pfj n THR 42 Ca 0.27 -0.22 -0.11 0.00 -3.05 0.00 0.00 64.05 60.93 1pfj n THR 42 Cb 0.12 0.74 -0.06 0.00 -1.55 0.00 0.00 70.33 69.59 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 -1.06 0.07 -0.29 1.09 2.07 0.94 -4.79 121.20 119.22 1pfj s ILE 43 Ca 0.00 -0.60 0.00 0.00 -1.41 0.00 0.00 60.65 58.65 1pfj s ILE 43 Cb 0.00 -1.06 0.19 0.00 0.13 0.00 0.00 42.46 41.73 1pfj s ILE 43 CO 0.00 -0.33 0.72 -0.94 -1.91 0.00 0.00 174.94 172.48 1pfj s SER 44 N -2.36 -1.27 -0.28 4.50 1.04 -1.23 -1.51 113.70 112.60 1pfj s SER 44 Ca -0.02 0.27 -0.06 0.00 0.48 0.00 0.00 55.95 56.63 1pfj s SER 44 Cb 0.01 1.85 0.01 0.00 0.10 0.00 0.00 66.02 67.99 1pfj s SER 44 CO -0.07 -0.23 0.04 -1.00 0.98 0.00 0.00 173.24 172.96 1pfj s HIS 45 N 2.87 3.11 -0.11 5.02 0.09 0.55 -4.89 115.29 121.93 1pfj s HIS 45 Ca 0.15 -1.04 -0.29 0.00 -0.00 0.00 0.00 55.06 53.87 1pfj s HIS 45 Cb -0.09 -2.21 -0.05 0.00 -0.00 0.00 0.00 32.58 30.23 1pfj s HIS 45 CO -0.24 -0.59 1.79 -1.64 -0.00 0.00 0.00 174.74 174.07 1pfj s MET 46 N 1.47 3.89 0.31 1.40 -1.94 -1.26 -1.43 119.30 121.74 1pfj s MET 46 Ca 0.03 2.08 0.03 0.00 -1.71 0.00 0.00 55.69 56.11 1pfj s MET 46 Cb -0.17 -4.10 0.77 0.00 2.01 0.00 0.00 34.83 33.35 1pfj s MET 46 CO 0.01 -1.20 1.53 0.66 -0.01 0.00 0.00 175.02 176.01 1pfj n TYR 47 N 8.30 0.65 -0.06 -0.03 4.01 0.50 0.27 117.16 130.80 1pfj n TYR 47 Ca 0.20 1.17 -0.09 0.00 -0.16 0.00 0.00 57.90 59.03 1pfj n TYR 47 Cb 0.44 -1.25 0.07 0.00 -0.31 0.00 0.00 39.34 38.29 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 1.95 0.79 0.00 -0.72 0.00 -1.89 -1.29 119.26 118.10 1pfj h ALA 48 Ca 0.60 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1pfj h ALA 48 Cb 1.27 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1pfj h ALA 48 CO -0.91 0.65 0.00 -0.25 0.00 0.00 0.00 179.25 178.74 1pfj n ASP 49 N -4.06 0.00 -3.90 0.00 9.92 0.75 -4.55 116.55 114.72 1pfj n ASP 49 Ca -0.01 0.04 -0.18 0.00 -0.53 0.00 0.00 54.79 54.11 1pfj n ASP 49 Cb 0.50 -0.25 -0.16 0.00 -0.64 0.00 0.00 41.12 40.58 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 -2.50 0.40 -0.26 0.53 -4.36 0.19 -3.57 121.20 111.63 1pfj s ILE 50 Ca 0.13 -0.11 -0.01 0.00 -0.26 0.00 0.00 60.65 60.40 1pfj s ILE 50 Cb 0.09 -0.42 0.13 0.00 1.25 0.00 0.00 42.46 43.51 1pfj s ILE 50 CO 0.19 0.17 0.31 -0.75 0.24 0.00 0.00 174.94 175.10 1pfj s LYS 51 N 0.57 0.31 0.00 0.37 2.36 0.42 -4.71 119.74 119.06 1pfj s LYS 51 Ca -0.07 0.09 0.00 0.00 -2.55 0.00 0.00 55.97 53.45 1pfj s LYS 51 Cb -0.10 -0.70 0.00 0.00 -1.05 0.00 0.00 37.83 35.98 1pfj s LYS 51 CO -0.00 -0.88 0.00 0.00 1.55 0.00 0.00 175.35 176.02 1pfj s GLN 53 N -0.39 0.05 -0.18 0.00 -0.21 -1.26 -1.56 119.66 116.11 1pfj s GLN 53 Ca 0.00 0.54 -0.01 0.00 0.02 0.00 0.00 55.36 55.91 1pfj s GLN 53 Cb 0.00 -0.25 0.05 0.00 1.00 0.00 0.00 33.01 33.81 1pfj s GLN 53 CO 0.00 -0.28 -0.02 0.21 -2.12 0.00 0.00 175.29 173.07 1pfj s LYS 54 N 2.12 1.19 -0.27 2.91 2.20 0.16 -5.01 119.74 123.05 1pfj s LYS 54 Ca 0.01 -0.52 -0.01 0.00 -0.36 0.00 0.00 55.97 55.09 1pfj s LYS 54 Cb -0.12 -2.05 0.08 0.00 -1.51 0.00 0.00 37.83 34.24 1pfj s LYS 54 CO -0.06 -0.50 0.06 0.96 -0.36 0.00 0.00 175.35 175.45 1pfj s ILE 55 N 1.68 0.87 -0.23 5.43 -5.25 -1.26 -0.81 121.20 121.63 1pfj s ILE 55 Ca -0.00 -1.15 0.10 0.00 -0.99 0.00 0.00 60.65 58.60 1pfj s ILE 55 Cb -0.16 -1.52 0.44 0.00 2.95 0.00 0.00 42.46 44.17 1pfj s ILE 55 CO -0.07 -0.47 1.28 -1.20 -1.79 0.00 0.00 174.94 172.68 1pfj n SER 56 N 4.88 2.00 0.00 4.36 7.64 -1.26 -4.65 113.62 126.58 1pfj n SER 56 Ca -0.05 -3.88 0.06 0.00 1.01 0.00 0.00 58.87 56.01 1pfj n SER 56 Cb 0.44 -0.55 0.28 0.00 -1.01 0.00 0.00 64.21 63.37 1pfj n SER 56 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1pfj n PRO 57 N -1.11 0.07 0.15 1.43 -0.02 -1.26 -1.61 135.00 132.65 1pfj n PRO 57 Ca 0.23 0.24 0.11 0.00 -2.02 0.00 0.00 63.50 62.07 1pfj n PRO 57 Cb 0.78 -1.50 0.55 0.00 -0.02 0.00 0.00 33.50 33.31 1pfj n PRO 57 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1pfj n GLU 58 N -1.41 0.15 -0.64 -0.52 4.07 -1.26 -1.02 120.64 120.01 1pfj n GLU 58 Ca 0.04 0.58 0.06 0.00 -0.06 0.00 0.00 57.16 57.78 1pfj n GLU 58 Cb 0.12 -1.93 0.12 0.00 -0.06 0.00 0.00 31.44 29.70 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 -0.94 3.61 0.00 8.31 0.00 -0.64 -4.97 105.19 110.57 1pfj n GLY 59 Ca -0.00 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.02 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 -0.72 0.00 0.00 1.61 4.76 -0.19 -5.06 118.16 118.56 1pfj n LYS 60 Ca 0.13 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.57 1pfj n LYS 60 Cb 0.77 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.96 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 0.00 -2.00 7.82 0.00 -1.26 -5.08 120.51 116.99 1pfj n ALA 61 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1pfj n ALA 61 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 0.00 -2.91 0.00 -0.00 -1.26 -5.06 118.16 108.93 1pfj n LYS 62 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 58.31 58.30 1pfj n LYS 62 Cb 0.07 0.00 0.01 0.00 -0.00 0.00 0.00 35.03 35.10 1pfj n LYS 62 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.40 175.90 1pfj s ILE 63 N 1.58 -0.80 -0.15 0.58 2.07 -1.21 -4.81 121.20 118.45 1pfj s ILE 63 Ca 0.00 -0.41 -0.04 0.00 -1.41 0.00 0.00 60.65 58.79 1pfj s ILE 63 Cb 0.00 0.00 -0.03 0.00 0.13 0.00 0.00 42.46 42.56 1pfj s ILE 63 CO 0.00 0.00 -0.04 0.00 -1.91 0.00 0.00 174.94 172.99 1pfj s GLN 64 N 1.37 3.64 0.42 3.50 -2.07 -1.26 -2.88 119.66 122.38 1pfj s GLN 64 Ca 0.22 -0.52 0.06 0.00 -1.82 0.00 0.00 55.36 53.30 1pfj s GLN 64 Cb 0.01 -2.91 -0.07 0.00 -1.09 0.00 0.00 33.01 28.95 1pfj s GLN 64 CO -0.08 0.26 0.01 -0.48 -1.32 0.00 0.00 175.29 173.69 1pfj s LEU 65 N 0.30 2.73 -0.02 2.60 -0.00 0.17 -4.06 118.68 120.40 1pfj s LEU 65 Ca -0.03 -1.41 0.00 0.00 -0.00 0.00 0.00 54.13 52.68 1pfj s LEU 65 Cb -0.14 -0.83 0.02 0.00 -0.00 0.00 0.00 46.19 45.25 1pfj s LEU 65 CO 0.03 -0.53 0.00 -1.58 -0.00 0.00 0.00 176.35 174.28 1pfj s GLN 66 N -3.75 0.20 0.03 1.48 0.74 0.01 -1.49 119.66 116.88 1pfj s GLN 66 Ca 0.31 0.08 0.03 0.00 0.05 0.00 0.00 55.36 55.82 1pfj s GLN 66 Cb 0.09 -0.37 -0.02 0.00 1.10 0.00 0.00 33.01 33.81 1pfj s GLN 66 CO 0.16 -0.11 -0.10 -1.17 -0.55 0.00 0.00 175.29 173.52 1pfj s LEU 67 N 0.84 2.15 0.23 3.68 0.20 0.75 -0.66 118.68 125.87 1pfj s LEU 67 Ca -0.08 -0.38 0.10 0.00 0.69 0.00 0.00 54.13 54.46 1pfj s LEU 67 Cb -0.11 -0.38 -0.05 0.00 -0.43 0.00 0.00 46.19 45.23 1pfj s LEU 67 CO -0.02 -0.03 -0.19 -0.69 -0.29 0.00 0.00 176.35 175.13 1pfj s VAL 68 N -0.81 2.15 0.13 1.68 1.01 -0.60 0.27 120.40 124.23 1pfj s VAL 68 Ca -0.02 -2.22 -0.11 0.00 0.00 0.00 0.00 61.98 59.63 1pfj s VAL 68 Cb -0.07 -2.13 -0.06 0.00 0.00 0.00 0.00 36.38 34.12 1pfj s VAL 68 CO 0.01 -0.40 0.47 -0.76 0.00 0.00 0.00 175.10 174.42 1pfj s LEU 69 N -3.19 4.31 0.51 3.92 2.01 0.37 0.16 118.68 126.77 1pfj s LEU 69 Ca 0.24 0.89 0.36 0.00 0.01 0.00 0.00 54.13 55.63 1pfj s LEU 69 Cb -0.04 -3.21 1.51 0.00 0.01 0.00 0.00 46.19 44.46 1pfj s LEU 69 CO 0.11 0.10 1.72 0.45 1.01 0.00 0.00 176.35 179.73 1pfj h HIS 70 N 3.42 0.19 -0.11 0.29 3.86 -1.80 -3.35 115.15 117.65 1pfj h HIS 70 Ca -0.48 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 58.73 1pfj h HIS 70 Cb 1.19 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 29.61 1pfj h HIS 70 CO 0.65 -0.03 0.00 0.00 0.86 0.00 0.00 177.93 179.41 1pfj n ALA 71 N -2.72 0.00 -2.42 2.45 0.00 -1.26 -4.93 120.51 111.63 1pfj n ALA 71 Ca 0.32 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.44 1pfj n ALA 71 Cb 1.40 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.86 1pfj n ALA 71 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pfj n GLY 72 N 4.06 5.82 3.07 0.00 0.00 -1.26 -4.97 105.19 111.91 1pfj n GLY 72 Ca 0.00 -2.67 -0.24 0.00 0.00 0.00 0.00 46.02 43.11 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 -2.59 1.73 0.26 1.61 1.11 -1.26 -4.97 116.67 112.55 1pfj s ASP 73 Ca 0.48 -0.28 0.08 0.00 0.18 0.00 0.00 52.55 53.01 1pfj s ASP 73 Cb 0.37 -0.52 -0.04 0.00 1.07 0.00 0.00 42.92 43.80 1pfj s ASP 73 CO -0.24 0.10 0.15 -0.89 1.18 0.00 0.00 175.17 175.48 1pfj s THR 74 N 0.18 4.20 -0.23 -1.27 2.01 -1.26 0.14 115.64 119.42 1pfj s THR 74 Ca -0.05 -1.52 -0.02 0.00 0.31 0.00 0.00 61.69 60.41 1pfj s THR 74 Cb -0.11 -3.27 0.07 0.00 0.01 0.00 0.00 72.50 69.20 1pfj s THR 74 CO 0.02 -0.35 0.05 -0.89 -0.69 0.00 0.00 174.62 172.75 1pfj s THR 75 N -2.18 0.65 -0.09 -0.82 2.01 0.76 -4.91 115.64 111.05 1pfj s THR 75 Ca 0.33 -0.80 -0.01 0.00 0.31 0.00 0.00 61.69 61.51 1pfj s THR 75 Cb -0.07 -1.23 -0.03 0.00 0.01 0.00 0.00 72.50 71.18 1pfj s THR 75 CO 0.24 -0.33 -0.04 0.20 -0.69 0.00 0.00 174.62 174.00 1pfj s ASN 76 N 1.78 4.90 0.01 3.53 -0.87 -1.26 -0.18 114.94 122.85 1pfj s ASN 76 Ca 0.01 0.02 -0.10 0.00 -1.57 0.00 0.00 52.86 51.23 1pfj s ASN 76 Cb -0.17 -1.40 0.01 0.00 -0.02 0.00 0.00 41.25 39.67 1pfj s ASN 76 CO -0.13 0.33 0.19 -0.36 -2.57 0.00 0.00 177.10 174.56 1pfj s PHE 77 N -0.62 -0.01 0.05 2.20 0.08 -0.55 -4.75 117.98 114.37 1pfj s PHE 77 Ca 0.10 -0.06 -0.06 0.00 0.12 0.00 0.00 56.93 57.03 1pfj s PHE 77 Cb -0.12 -0.01 -0.01 0.00 -0.57 0.00 0.00 43.02 42.31 1pfj s PHE 77 CO 0.02 -0.34 0.11 -1.58 -0.10 0.00 0.00 175.22 173.33 1pfj s HIS 78 N -1.58 0.21 -0.07 0.36 5.65 0.53 0.42 115.29 120.81 1pfj s HIS 78 Ca -0.13 -0.54 -0.06 0.00 0.25 0.00 0.00 55.06 54.58 1pfj s HIS 78 Cb -0.06 -0.14 0.02 0.00 -1.18 0.00 0.00 32.58 31.22 1pfj s HIS 78 CO 0.01 -0.40 0.17 -0.06 -0.65 0.00 0.00 174.74 173.82 1pfj s PHE 79 N -2.90 -0.19 -0.13 3.88 0.40 -1.14 0.22 117.98 118.13 1pfj s PHE 79 Ca -0.02 0.47 0.02 0.00 -0.60 0.00 0.00 56.93 56.80 1pfj s PHE 79 Cb 0.01 0.05 0.08 0.00 0.51 0.00 0.00 43.02 43.67 1pfj s PHE 79 CO -0.06 -0.10 0.79 0.45 0.70 0.00 0.00 175.22 177.00 1pfj n SER 80 N 3.14 -0.49 -3.89 1.36 2.88 -1.26 -3.34 113.62 112.01 1pfj n SER 80 Ca -0.14 -1.34 -0.35 0.00 -1.33 0.00 0.00 58.87 55.70 1pfj n SER 80 Cb 0.58 0.34 0.02 0.00 -0.75 0.00 0.00 64.21 64.40 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 -0.35 -4.68 -0.24 -3.46 5.03 -1.25 -4.36 115.26 105.94 1pfj n ASN 81 Ca -0.09 0.38 0.01 0.00 0.87 0.00 0.00 54.58 55.75 1pfj n ASN 81 Cb 0.59 -0.76 0.09 0.00 -1.02 0.00 0.00 39.78 38.69 1pfj n ASN 81 CO 0.00 0.00 0.00 -0.08 -1.83 0.00 0.00 177.26 175.35 1pfj h GLU 82 N -0.51 0.02 0.00 3.52 4.57 -2.00 -2.41 114.58 117.77 1pfj h GLU 82 Ca -0.40 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.78 1pfj h GLU 82 Cb 1.29 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.88 1pfj h GLU 82 CO 0.30 0.01 0.00 0.43 -1.18 0.00 0.00 179.01 178.57 1pfj n SER 83 N -5.44 0.99 -1.22 1.04 7.64 -1.26 -4.59 113.62 110.77 1pfj n SER 83 Ca 0.10 -1.00 -0.05 0.00 1.01 0.00 0.00 58.87 58.93 1pfj n SER 83 Cb 0.38 0.01 0.20 0.00 -1.01 0.00 0.00 64.21 63.79 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 -0.01 2.59 -2.06 0.44 -1.04 -1.09 -4.75 114.28 108.36 1pfj n THR 84 Ca 0.00 -2.67 -0.39 0.00 -2.04 0.00 0.00 64.05 58.95 1pfj n THR 84 Cb 0.00 -0.33 -0.00 0.00 -1.82 0.00 0.00 70.33 68.18 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 -1.10 6.66 -2.35 2.41 0.00 -0.93 -3.87 120.51 121.33 1pfj n ALA 85 Ca 0.34 -4.10 0.00 0.00 0.00 0.00 0.00 53.44 49.69 1pfj n ALA 85 Cb 1.07 -2.61 0.00 0.00 0.00 0.00 0.00 19.45 17.91 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 1.31 0.00 -0.24 0.00 0.24 -1.26 -4.88 118.33 113.50 1pfj n VAL 86 Ca 0.59 0.00 0.21 0.00 -2.04 0.00 0.00 64.34 63.10 1pfj n VAL 86 Cb 0.27 0.00 0.39 0.00 -1.47 0.00 0.00 33.84 33.03 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 -0.05 0.00 7.34 5.02 -1.26 0.12 118.16 129.33 1pfj n LYS 87 Ca 0.00 1.02 0.00 0.00 -2.02 0.00 0.00 58.31 57.31 1pfj n LYS 87 Cb 0.00 -1.80 0.00 0.00 -0.02 0.00 0.00 35.03 33.21 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 -4.71 0.00 0.17 1.97 0.00 -1.26 0.12 120.64 116.93 1pfj n GLU 88 Ca 0.26 0.68 -0.14 0.00 0.00 0.00 0.00 57.16 57.96 1pfj n GLU 88 Cb 0.87 -1.38 -0.08 0.00 0.00 0.00 0.00 31.44 30.85 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 -0.39 -0.79 3.44 2.47 -1.04 -1.97 114.38 116.10 1pfj h ARG 89 Ca 0.00 0.03 0.16 0.00 -1.26 0.00 0.00 59.98 58.90 1pfj h ARG 89 Cb 0.00 0.09 -0.15 0.00 -1.65 0.00 0.00 29.97 28.26 1pfj h ARG 89 CO 0.00 -0.16 -0.20 -0.25 0.56 0.00 0.00 179.97 179.92 1pfj n ASP 90 N -5.20 -0.29 0.18 7.04 8.00 0.32 0.28 116.55 126.88 1pfj n ASP 90 Ca -0.10 1.35 -0.14 0.00 0.71 0.00 0.00 54.79 56.61 1pfj n ASP 90 Cb 0.22 -0.41 -0.08 0.00 -0.02 0.00 0.00 41.12 40.84 1pfj n ASP 90 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pfj h ALA 91 N 1.57 -0.39 -0.83 2.24 0.00 0.13 0.51 119.26 122.48 1pfj h ALA 91 Ca 0.38 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 55.26 1pfj h ALA 91 Cb 0.57 0.15 -0.10 0.00 0.00 0.00 0.00 17.79 18.42 1pfj h ALA 91 CO -0.81 -0.70 -0.49 0.28 0.00 0.00 0.00 179.25 177.53 1pfj n VAL 92 N -5.24 -0.57 0.07 0.00 0.31 0.80 0.19 118.33 113.89 1pfj n VAL 92 Ca -0.10 2.16 -0.12 0.00 -0.01 0.00 0.00 64.34 66.27 1pfj n VAL 92 Cb 0.19 -2.68 -0.06 0.00 -0.91 0.00 0.00 33.84 30.38 1pfj n VAL 92 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1pfj h LYS 93 N 0.00 -0.18 -0.53 5.55 3.64 -1.03 0.10 116.57 124.12 1pfj h LYS 93 Ca 0.13 0.01 0.15 0.00 -1.27 0.00 0.00 60.65 59.68 1pfj h LYS 93 Cb 0.34 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.18 1pfj h LYS 93 CO -0.78 -0.12 0.95 0.22 -2.27 0.00 0.00 179.45 177.45 1pfj h ASP 94 N -0.19 0.00 0.08 4.20 1.82 0.73 1.95 116.42 125.01 1pfj h ASP 94 Ca 0.02 0.00 -0.29 0.00 -0.39 0.00 0.00 57.03 56.37 1pfj h ASP 94 Cb 0.21 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.20 1pfj h ASP 94 CO -0.07 0.00 -1.57 -0.07 -1.61 0.00 0.00 179.24 175.93 1pfj h LEU 95 N 0.00 0.28 -0.79 2.28 3.38 0.35 -3.25 115.31 117.55 1pfj h LEU 95 Ca 0.25 -0.79 0.07 0.00 0.09 0.00 0.00 57.88 57.51 1pfj h LEU 95 Cb 2.15 -0.09 -0.10 0.00 0.09 0.00 0.00 40.66 42.72 1pfj h LEU 95 CO -0.00 1.66 -0.47 0.18 0.09 0.00 0.00 178.44 179.90 1pfj n LEU 96 N -3.93 -0.84 0.00 1.67 4.77 0.66 0.32 117.00 119.64 1pfj n LEU 96 Ca -0.30 1.62 0.08 0.00 -0.03 0.00 0.00 56.01 57.38 1pfj n LEU 96 Cb 0.88 -0.28 0.45 0.00 -2.33 0.00 0.00 43.42 42.14 1pfj n LEU 96 CO 0.35 -1.25 0.70 0.00 -1.33 0.00 0.00 177.39 175.85 1pfj n GLN 97 N -4.79 0.40 -0.03 3.23 0.00 -0.92 0.33 117.38 115.61 1pfj n GLN 97 Ca 0.02 0.05 -0.17 0.00 0.00 0.00 0.00 57.00 56.90 1pfj n GLN 97 Cb 0.21 -1.50 -0.14 0.00 0.00 0.00 0.00 30.24 28.81 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 -1.10 0.71 -0.02 2.61 7.27 0.94 -4.22 117.38 123.57 1pfj n GLN 98 Ca 0.10 0.24 -0.07 0.00 0.07 0.00 0.00 57.00 57.34 1pfj n GLN 98 Cb 0.08 -1.69 -0.13 0.00 2.41 0.00 0.00 30.24 30.91 1pfj n GLN 98 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1pfj n LEU 99 N -3.30 0.80 -0.31 1.69 4.32 0.15 -4.05 117.00 116.30 1pfj n LEU 99 Ca -0.30 0.38 0.13 0.00 -0.02 0.00 0.00 56.01 56.19 1pfj n LEU 99 Cb 1.05 0.18 0.28 0.00 -1.62 0.00 0.00 43.42 43.30 1pfj n LEU 99 CO 0.41 0.35 0.86 0.25 -1.22 0.00 0.00 177.39 178.04 1pfj h LEU 100 N 0.00 -0.28 -1.56 2.23 5.85 -0.29 2.96 115.31 124.22 1pfj h LEU 100 Ca -0.28 0.24 0.12 0.00 0.84 0.00 0.00 57.88 58.79 1pfj h LEU 100 Cb 1.96 0.38 -0.05 0.00 0.37 0.00 0.00 40.66 43.32 1pfj h LEU 100 CO 0.07 -0.26 0.47 -0.65 -0.34 0.00 0.00 178.44 177.72 1pfj h PRO 101 N 0.09 0.45 -0.82 5.25 0.11 -1.74 0.14 132.00 135.48 1pfj h PRO 101 Ca 0.56 -0.03 0.11 0.00 0.11 0.00 0.00 66.00 66.75 1pfj h PRO 101 Cb 1.13 -0.10 -0.08 0.00 0.11 0.00 0.00 31.00 32.06 1pfj h PRO 101 CO -0.78 0.30 0.45 -0.22 -0.21 0.00 0.00 178.00 177.54 1pfj h LYS 102 N 0.47 0.70 -0.01 1.05 3.64 0.52 -2.72 116.57 120.22 1pfj h LYS 102 Ca 0.34 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.67 1pfj h LYS 102 Cb 0.67 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 1pfj h LYS 102 CO -0.11 0.47 -0.27 1.97 -2.27 0.00 0.00 179.45 179.24 1pfj n PHE 103 N -4.79 0.00 -0.92 1.91 -1.74 -0.78 -4.97 117.46 106.17 1pfj n PHE 103 Ca 0.14 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 57.03 1pfj n PHE 103 Cb 0.33 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.33 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 -0.08 0.60 0.00 3.97 4.76 -0.03 -4.92 118.16 122.46 1pfj n LYS 104 Ca 0.06 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.50 1pfj n LYS 104 Cb 0.31 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.50 1pfj n LYS 104 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1pfj n ARG 105 N -0.61 0.00 -1.44 1.97 1.74 -1.26 -4.89 116.66 112.16 1pfj n ARG 105 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1pfj n ARG 105 Cb 0.00 -0.22 0.00 0.00 -1.02 0.00 0.00 32.46 31.22 1pfj n ARG 105 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1pfj n LYS 106 N 0.00 1.79 -4.48 5.56 5.02 -1.26 -5.00 118.16 119.79 1pfj n LYS 106 Ca 0.00 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.01 1pfj n LYS 106 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 34.94 1pfj n LYS 106 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pfj n ALA 107 N -3.00 0.50 -1.28 7.82 0.00 -1.26 -4.70 120.51 118.59 1pfj n ALA 107 Ca 0.00 -2.13 0.00 0.00 0.00 0.00 0.00 53.44 51.31 1pfj n ALA 107 Cb 0.00 1.30 0.00 0.00 0.00 0.00 0.00 19.45 20.75 1pfj n ALA 107 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79