#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 -0.56 -2.28 3.04 0.00 -2.09 -3.39 119.26 113.98 1pfj h ALA 2 Ca 0.00 -0.01 -0.59 0.00 0.00 0.00 0.00 54.91 54.31 1pfj h ALA 2 Cb 0.00 0.85 0.08 0.00 0.00 0.00 0.00 17.79 18.73 1pfj h ALA 2 CO 0.00 -0.67 0.59 0.25 0.00 0.00 0.00 179.25 179.42 1pfj n THR 3 N -3.89 0.92 0.00 0.00 -2.24 -1.26 -4.94 114.28 102.87 1pfj n THR 3 Ca -0.02 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 1pfj n THR 3 Cb 0.16 -1.42 0.00 0.00 -2.10 0.00 0.00 70.33 66.97 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 2.18 -0.43 0.03 3.42 7.64 -1.26 -5.01 113.62 120.19 1pfj n SER 4 Ca 0.12 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 60.00 1pfj n SER 4 Cb 0.31 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.51 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 -0.64 0.84 -4.68 6.43 7.64 -1.26 -4.89 113.62 117.05 1pfj n SER 5 Ca 0.00 0.11 -0.30 0.00 1.01 0.00 0.00 58.87 59.69 1pfj n SER 5 Cb 0.00 -0.26 0.15 0.00 -1.01 0.00 0.00 64.21 63.10 1pfj n SER 5 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1pfj s GLU 6 N -2.02 1.03 -0.25 1.43 2.56 -1.26 -5.01 118.70 115.18 1pfj s GLU 6 Ca -0.01 1.06 0.03 0.00 0.00 0.00 0.00 54.97 56.05 1pfj s GLU 6 Cb 0.00 -1.76 0.06 0.00 2.00 0.00 0.00 34.13 34.42 1pfj s GLU 6 CO 0.01 -2.47 -0.11 -1.21 -0.56 0.00 0.00 175.26 170.92 1pfj s GLU 7 N -4.79 2.32 0.18 4.30 2.02 -1.26 -5.11 118.70 116.37 1pfj s GLU 7 Ca 0.65 -1.29 0.02 0.00 0.02 0.00 0.00 54.97 54.36 1pfj s GLU 7 Cb -0.20 -2.88 -0.04 0.00 0.10 0.00 0.00 34.13 31.11 1pfj s GLU 7 CO 0.58 -0.54 0.33 0.14 0.02 0.00 0.00 175.26 175.79 1pfj s VAL 8 N 1.13 5.28 -0.16 2.63 -7.23 -1.26 -3.38 120.40 117.40 1pfj s VAL 8 Ca -0.07 -0.61 0.18 0.00 -1.81 0.00 0.00 61.98 59.66 1pfj s VAL 8 Cb -0.19 -3.75 -0.25 0.00 0.56 0.00 0.00 36.38 32.74 1pfj s VAL 8 CO -0.05 -0.15 0.21 -0.11 -0.31 0.00 0.00 175.10 174.68 1pfj n LEU 9 N -0.69 0.14 -3.64 1.32 7.94 -1.18 -4.74 117.00 116.14 1pfj n LEU 9 Ca -0.06 0.06 -0.03 0.00 -1.11 0.00 0.00 56.01 54.87 1pfj n LEU 9 Cb 0.54 0.40 -0.06 0.00 0.53 0.00 0.00 43.42 44.84 1pfj n LEU 9 CO 0.48 0.43 1.11 -0.22 -1.11 0.00 0.00 177.39 178.08 1pfj s LEU 10 N -5.48 -0.09 0.00 -1.96 2.96 -0.93 -5.03 118.68 108.14 1pfj s LEU 10 Ca -0.09 0.14 -0.00 0.00 -0.22 0.00 0.00 54.13 53.96 1pfj s LEU 10 Cb 0.07 1.19 -0.00 0.00 0.50 0.00 0.00 46.19 47.95 1pfj s LEU 10 CO 0.84 -0.05 -0.00 -0.51 -1.32 0.00 0.00 176.35 175.30 1pfj s ILE 11 N -0.50 0.02 -0.34 6.68 -1.16 -1.26 0.21 121.20 124.85 1pfj s ILE 11 Ca 0.07 -0.16 0.00 0.00 -0.51 0.00 0.00 60.65 60.06 1pfj s ILE 11 Cb -0.03 -0.06 0.08 0.00 0.61 0.00 0.00 42.46 43.07 1pfj s ILE 11 CO -0.11 -0.09 0.06 0.68 -2.81 0.00 0.00 174.94 172.68 1pfj s VAL 12 N -0.26 2.74 0.49 4.00 -7.23 0.41 -4.91 120.40 115.64 1pfj s VAL 12 Ca -0.03 -1.92 0.31 0.00 -1.81 0.00 0.00 61.98 58.53 1pfj s VAL 12 Cb -0.02 -2.80 0.31 0.00 0.56 0.00 0.00 36.38 34.43 1pfj s VAL 12 CO -0.00 -0.42 1.94 0.07 -0.31 0.00 0.00 175.10 176.38 1pfj h LYS 13 N 7.86 0.00 -4.97 4.82 -0.00 -1.92 0.30 116.57 122.65 1pfj h LYS 13 Ca -0.13 0.00 -0.66 0.00 -0.00 0.00 0.00 60.65 59.86 1pfj h LYS 13 Cb 1.04 0.00 -0.30 0.00 -0.00 0.00 0.00 32.23 32.98 1pfj h LYS 13 CO 0.57 0.00 -0.74 0.21 -0.00 0.00 0.00 179.45 179.48 1pfj s LYS 14 N -3.96 3.19 -0.04 0.07 2.47 -1.26 -3.51 119.74 116.71 1pfj s LYS 14 Ca -0.03 -0.74 -0.17 0.00 -1.56 0.00 0.00 55.97 53.46 1pfj s LYS 14 Cb 0.09 -2.96 0.03 0.00 -1.46 0.00 0.00 37.83 33.53 1pfj s LYS 14 CO 0.28 -0.26 0.37 0.08 0.16 0.00 0.00 175.35 175.98 1pfj s VAL 15 N 1.42 0.04 0.06 4.02 1.01 0.20 -4.67 120.40 122.49 1pfj s VAL 15 Ca 0.04 -0.35 0.08 0.00 0.00 0.00 0.00 61.98 61.75 1pfj s VAL 15 Cb -0.15 -0.65 -0.03 0.00 0.00 0.00 0.00 36.38 35.55 1pfj s VAL 15 CO -0.05 -0.19 -0.23 -0.60 0.00 0.00 0.00 175.10 174.03 1pfj s ARG 16 N -1.11 1.46 -0.12 2.72 3.52 0.33 0.25 118.95 126.01 1pfj s ARG 16 Ca -0.11 -1.07 -0.08 0.00 -0.13 0.00 0.00 55.73 54.33 1pfj s ARG 16 Cb -0.04 -1.67 0.04 0.00 -1.56 0.00 0.00 34.95 31.72 1pfj s ARG 16 CO 0.04 0.42 0.30 1.14 -0.81 0.00 0.00 175.30 176.39 1pfj s GLN 17 N -1.41 0.30 0.52 5.12 -2.07 0.14 0.24 119.66 122.50 1pfj s GLN 17 Ca 0.09 0.54 0.16 0.00 -1.82 0.00 0.00 55.36 54.33 1pfj s GLN 17 Cb -0.09 0.01 0.53 0.00 -1.09 0.00 0.00 33.01 32.37 1pfj s GLN 17 CO 0.03 -0.12 1.01 1.17 -1.32 0.00 0.00 175.29 176.06 1pfj n LYS 18 N 3.73 0.02 -0.05 9.60 3.00 -1.26 0.89 118.16 134.09 1pfj n LYS 18 Ca -0.20 0.84 -0.07 0.00 -0.00 0.00 0.00 58.31 58.88 1pfj n LYS 18 Cb 0.55 -2.13 -0.06 0.00 0.00 0.00 0.00 35.03 33.39 1pfj n LYS 18 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.40 178.97 1pfj h LYS 19 N 0.00 -0.02 -3.64 1.64 2.10 -1.94 -3.49 116.57 111.23 1pfj h LYS 19 Ca 0.29 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.88 1pfj h LYS 19 Cb 2.23 0.00 -0.10 0.00 -0.90 0.00 0.00 32.23 33.46 1pfj h LYS 19 CO -0.00 0.44 -0.13 -0.65 -2.00 0.00 0.00 179.45 177.11 1pfj s GLN 20 N -1.96 1.48 -0.18 0.07 -1.52 0.26 -5.13 119.66 112.68 1pfj s GLN 20 Ca -0.09 -1.19 -0.06 0.00 -1.95 0.00 0.00 55.36 52.07 1pfj s GLN 20 Cb -0.01 0.46 -0.03 0.00 -0.22 0.00 0.00 33.01 33.21 1pfj s GLN 20 CO 0.33 -0.61 0.03 -0.51 -0.25 0.00 0.00 175.29 174.28 1pfj s ASP 21 N -2.99 5.26 0.19 5.90 1.01 -1.26 0.29 116.67 125.06 1pfj s ASP 21 Ca 0.20 -0.04 -0.23 0.00 0.71 0.00 0.00 52.55 53.19 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 0.14 0.73 -0.83 0.21 0.00 0.00 175.17 175.49 1pfj s GLY 22 N 0.55 -0.32 -0.00 0.21 0.00 0.69 -3.98 107.32 104.47 1pfj s GLY 22 Ca 0.01 0.14 -0.26 0.00 0.00 0.00 0.00 44.72 44.62 1pfj s GLY 22 CO 0.02 0.05 0.79 0.00 0.00 0.00 0.00 173.10 173.96 1pfj s ALA 23 N -3.69 3.31 -0.12 3.20 0.00 0.38 0.62 121.76 125.46 1pfj s ALA 23 Ca 0.07 0.29 -0.03 0.00 0.00 0.00 0.00 51.96 52.30 1pfj s ALA 23 Cb -0.03 -3.06 -0.03 0.00 0.00 0.00 0.00 23.12 19.99 1pfj s ALA 23 CO -0.02 -0.06 -0.01 -0.51 0.00 0.00 0.00 175.76 175.16 1pfj s LEU 24 N 0.49 3.46 -0.07 0.00 1.43 0.10 0.17 118.68 124.26 1pfj s LEU 24 Ca 0.41 0.03 0.03 0.00 -1.03 0.00 0.00 54.13 53.58 1pfj s LEU 24 Cb -0.20 -1.81 -0.02 0.00 0.03 0.00 0.00 46.19 44.19 1pfj s LEU 24 CO 0.22 0.28 -0.17 -0.31 0.23 0.00 0.00 176.35 176.61 1pfj s TYR 25 N -0.32 2.65 -0.12 0.29 1.51 0.28 0.15 117.35 121.80 1pfj s TYR 25 Ca 0.06 -0.42 -0.00 0.00 -1.01 0.00 0.00 57.07 55.69 1pfj s TYR 25 Cb -0.12 -1.67 -0.02 0.00 -0.11 0.00 0.00 41.96 40.04 1pfj s TYR 25 CO 0.02 -0.02 -0.11 -1.17 -1.11 0.00 0.00 175.55 173.16 1pfj s LEU 26 N -0.32 2.85 0.15 -1.29 0.20 0.57 0.15 118.68 120.98 1pfj s LEU 26 Ca 0.02 -0.25 0.10 0.00 0.69 0.00 0.00 54.13 54.69 1pfj s LEU 26 Cb -0.13 -1.64 -0.04 0.00 -0.43 0.00 0.00 46.19 43.95 1pfj s LEU 26 CO 0.02 0.20 -0.22 -0.32 -0.29 0.00 0.00 176.35 175.75 1pfj s MET 27 N 0.12 1.32 0.18 1.98 -2.45 0.56 -2.20 119.30 118.81 1pfj s MET 27 Ca -0.05 -1.35 -0.17 0.00 -1.25 0.00 0.00 55.69 52.87 1pfj s MET 27 Cb -0.15 -1.60 0.15 0.00 1.25 0.00 0.00 34.83 34.49 1pfj s MET 27 CO 0.04 0.36 1.29 0.00 1.05 0.00 0.00 175.02 177.76 1pfj n ALA 28 N 0.66 -0.18 0.77 4.11 0.00 -1.22 -0.96 120.51 123.69 1pfj n ALA 28 Ca -0.16 0.81 0.09 0.00 0.00 0.00 0.00 53.44 54.18 1pfj n ALA 28 Cb 0.55 -0.33 0.07 0.00 0.00 0.00 0.00 19.45 19.74 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 -5.20 1.55 -3.67 0.00 2.13 -1.26 -4.97 120.64 109.22 1pfj n GLU 29 Ca 0.07 -1.53 -0.10 0.00 0.66 0.00 0.00 57.16 56.26 1pfj n GLU 29 Cb 0.31 -1.35 -0.04 0.00 0.27 0.00 0.00 31.44 30.64 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 -1.57 1.26 -0.14 5.31 1.70 -0.13 0.13 118.95 125.51 1pfj s ARG 30 Ca 0.21 -0.78 -0.03 0.00 -0.47 0.00 0.00 55.73 54.66 1pfj s ARG 30 Cb 0.15 0.51 -0.03 0.00 -0.57 0.00 0.00 34.95 35.01 1pfj s ARG 30 CO 0.25 -0.52 -0.05 0.42 -1.08 0.00 0.00 175.30 174.31 1pfj s ILE 31 N -3.84 3.80 0.28 4.99 1.01 -0.43 0.21 121.20 127.23 1pfj s ILE 31 Ca 0.06 -0.40 0.10 0.00 0.00 0.00 0.00 60.65 60.42 1pfj s ILE 31 Cb 0.00 -2.64 -0.05 0.00 0.01 0.00 0.00 42.46 39.78 1pfj s ILE 31 CO -0.07 0.52 -0.06 0.00 0.00 0.00 0.00 174.94 175.32 1pfj s ALA 32 N 0.15 3.04 0.02 9.38 0.00 0.40 0.59 121.76 135.34 1pfj s ALA 32 Ca -0.02 -1.77 0.02 0.00 0.00 0.00 0.00 51.96 50.18 1pfj s ALA 32 Cb -0.14 -0.55 -0.01 0.00 0.00 0.00 0.00 23.12 22.42 1pfj s ALA 32 CO 0.03 0.24 -0.06 -0.46 0.00 0.00 0.00 175.76 175.51 1pfj s TRP 33 N -2.41 0.52 -0.27 0.00 -0.00 -0.49 1.00 118.94 117.28 1pfj s TRP 33 Ca 0.31 -0.31 -0.01 0.00 -0.00 0.00 0.00 56.10 56.10 1pfj s TRP 33 Cb -0.05 -0.32 0.14 0.00 -0.00 0.00 0.00 33.47 33.24 1pfj s TRP 33 CO 0.18 -0.06 0.37 0.00 -0.00 0.00 0.00 176.95 177.45 1pfj s ALA 34 N -0.80 -1.03 0.86 5.86 0.00 0.44 0.22 121.76 127.30 1pfj s ALA 34 Ca -0.05 0.45 -0.11 0.00 0.00 0.00 0.00 51.96 52.25 1pfj s ALA 34 Cb -0.06 -1.85 0.11 0.00 0.00 0.00 0.00 23.12 21.32 1pfj s ALA 34 CO 0.00 -1.52 1.09 -1.25 0.00 0.00 0.00 175.76 174.08 1pfj s PRO 35 N 2.51 1.58 0.00 0.00 0.04 -1.26 0.14 135.00 138.01 1pfj s PRO 35 Ca 0.11 0.86 0.09 0.00 0.04 0.00 0.00 61.00 62.10 1pfj s PRO 35 Cb -0.14 -1.84 0.43 0.00 0.04 0.00 0.00 34.50 32.99 1pfj s PRO 35 CO -0.24 -2.03 1.16 0.39 0.04 0.00 0.00 177.00 176.32 1pfj n GLU 36 N -3.75 0.11 0.00 4.56 1.02 -1.26 -4.20 120.64 117.13 1pfj n GLU 36 Ca 0.07 0.22 0.00 0.00 -0.02 0.00 0.00 57.16 57.43 1pfj n GLU 36 Cb 0.55 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.47 1pfj n GLU 36 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1pfj n GLY 37 N -0.56 -0.16 2.15 0.62 0.00 -1.26 -4.93 105.19 101.06 1pfj n GLY 37 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1pfj n GLY 37 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1pfj n LYS 38 N 0.00 0.00 -1.42 1.61 5.02 -1.26 -5.02 118.16 117.09 1pfj n LYS 38 Ca 0.00 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.18 1pfj n LYS 38 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 34.92 1pfj n LYS 38 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1pfj n ASP 39 N -3.19 0.36 0.00 4.39 2.03 -1.26 -4.69 116.55 114.18 1pfj n ASP 39 Ca 0.00 -1.95 0.00 0.00 0.52 0.00 0.00 54.79 53.36 1pfj n ASP 39 Cb 0.00 -1.36 0.00 0.00 -0.72 0.00 0.00 41.12 39.04 1pfj n ASP 39 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 1pfj n ARG 40 N 7.14 0.00 -4.37 -0.67 -4.01 -1.26 -3.90 116.66 109.59 1pfj n ARG 40 Ca 0.33 0.00 -0.31 0.00 -1.04 0.00 0.00 57.85 56.83 1pfj n ARG 40 Cb 0.45 0.00 -0.10 0.00 -3.04 0.00 0.00 32.46 29.77 1pfj n ARG 40 CO 0.00 0.00 0.00 -0.06 -3.04 0.00 0.00 177.63 174.53 1pfj s PHE 41 N -4.03 2.86 0.00 2.89 0.08 -1.26 -4.53 117.98 113.99 1pfj s PHE 41 Ca 0.00 -0.07 0.00 0.00 0.12 0.00 0.00 56.93 56.98 1pfj s PHE 41 Cb 0.00 -1.55 0.00 0.00 -0.57 0.00 0.00 43.02 40.90 1pfj s PHE 41 CO 0.00 0.39 0.00 -2.37 -0.10 0.00 0.00 175.22 173.14 1pfj n THR 42 N 1.23 0.00 -4.03 0.64 5.66 0.13 -4.93 114.28 112.99 1pfj n THR 42 Ca -0.14 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.73 1pfj n THR 42 Cb 0.52 -0.92 -0.03 0.00 -1.55 0.00 0.00 70.33 68.36 1pfj n THR 42 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 175.07 172.29 1pfj s ILE 43 N -1.90 0.00 -0.30 1.09 -4.36 -0.42 -4.91 121.20 110.40 1pfj s ILE 43 Ca 0.00 -1.47 -0.11 0.00 -0.26 0.00 0.00 60.65 58.81 1pfj s ILE 43 Cb 0.00 -2.64 0.17 0.00 1.25 0.00 0.00 42.46 41.24 1pfj s ILE 43 CO 0.00 0.00 0.92 -0.44 0.24 0.00 0.00 174.94 175.66 1pfj s SER 44 N -3.18 -0.72 -0.23 4.36 0.01 -1.24 -1.40 113.70 111.29 1pfj s SER 44 Ca 0.27 0.66 -0.06 0.00 1.31 0.00 0.00 55.95 58.13 1pfj s SER 44 Cb -0.01 1.69 -0.02 0.00 0.21 0.00 0.00 66.02 67.89 1pfj s SER 44 CO 0.17 -0.14 0.01 -1.00 0.41 0.00 0.00 173.24 172.70 1pfj s HIS 45 N 2.74 3.02 -0.44 2.43 0.09 0.20 -4.86 115.29 118.47 1pfj s HIS 45 Ca 0.02 -0.68 -0.27 0.00 -0.00 0.00 0.00 55.06 54.13 1pfj s HIS 45 Cb -0.10 -2.17 -0.04 0.00 -0.00 0.00 0.00 32.58 30.28 1pfj s HIS 45 CO -0.16 -0.45 2.02 -1.64 -0.00 0.00 0.00 174.74 174.51 1pfj s MET 46 N 1.53 2.79 0.16 1.40 -1.94 -1.26 -1.31 119.30 120.67 1pfj s MET 46 Ca 0.06 1.25 0.08 0.00 -1.71 0.00 0.00 55.69 55.36 1pfj s MET 46 Cb -0.15 -4.37 0.56 0.00 2.01 0.00 0.00 34.83 32.88 1pfj s MET 46 CO 0.00 -2.51 0.71 0.66 -0.01 0.00 0.00 175.02 173.87 1pfj n TYR 47 N 12.61 0.49 -0.07 -0.03 4.01 0.35 0.27 117.16 134.77 1pfj n TYR 47 Ca 0.26 0.54 -0.12 0.00 -0.16 0.00 0.00 57.90 58.42 1pfj n TYR 47 Cb 0.50 -0.96 -0.05 0.00 -0.31 0.00 0.00 39.34 38.52 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 0.90 0.30 0.00 -0.72 0.00 -1.87 -0.47 119.26 117.40 1pfj h ALA 48 Ca 0.36 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1pfj h ALA 48 Cb 0.93 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1pfj h ALA 48 CO -0.36 0.06 0.00 -0.25 0.00 0.00 0.00 179.25 178.69 1pfj n ASP 49 N -4.63 0.29 -4.31 0.00 8.00 0.76 -4.25 116.55 112.41 1pfj n ASP 49 Ca -0.04 0.62 -0.35 0.00 0.71 0.00 0.00 54.79 55.72 1pfj n ASP 49 Cb 0.26 -0.66 -0.14 0.00 -0.02 0.00 0.00 41.12 40.56 1pfj n ASP 49 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1pfj s ILE 50 N -3.25 3.48 -0.26 0.53 -1.09 -0.19 -1.92 121.20 118.50 1pfj s ILE 50 Ca 0.00 -0.57 -0.03 0.00 -2.23 0.00 0.00 60.65 57.82 1pfj s ILE 50 Cb 0.05 -2.65 0.09 0.00 -1.58 0.00 0.00 42.46 38.37 1pfj s ILE 50 CO 0.15 0.33 0.11 -0.75 -1.23 0.00 0.00 174.94 173.55 1pfj s LYS 51 N 1.47 0.32 0.00 2.79 2.47 0.38 -4.74 119.74 122.43 1pfj s LYS 51 Ca 0.05 -0.55 0.00 0.00 -1.56 0.00 0.00 55.97 53.91 1pfj s LYS 51 Cb -0.15 -1.53 0.00 0.00 -1.46 0.00 0.00 37.83 34.69 1pfj s LYS 51 CO -0.02 -0.92 0.00 0.00 0.16 0.00 0.00 175.35 174.57 1pfj s GLN 53 N 0.00 0.02 -0.17 0.00 -0.21 -1.26 -1.63 119.66 116.41 1pfj s GLN 53 Ca 0.00 0.46 -0.01 0.00 0.02 0.00 0.00 55.36 55.83 1pfj s GLN 53 Cb 0.00 -0.30 0.05 0.00 1.00 0.00 0.00 33.01 33.76 1pfj s GLN 53 CO 0.00 -0.27 -0.01 0.21 -2.12 0.00 0.00 175.29 173.09 1pfj s LYS 54 N 1.97 1.02 -0.39 2.91 2.20 -0.55 -5.03 119.74 121.87 1pfj s LYS 54 Ca 0.00 -0.42 -0.04 0.00 -0.36 0.00 0.00 55.97 55.16 1pfj s LYS 54 Cb -0.12 -1.92 0.09 0.00 -1.51 0.00 0.00 37.83 34.37 1pfj s LYS 54 CO -0.05 -0.50 0.18 0.96 -0.36 0.00 0.00 175.35 175.57 1pfj s ILE 55 N 1.75 3.43 -0.21 5.43 -5.25 -1.26 -2.00 121.20 123.08 1pfj s ILE 55 Ca 0.00 -1.78 0.12 0.00 -0.99 0.00 0.00 60.65 58.00 1pfj s ILE 55 Cb -0.16 -3.22 0.42 0.00 2.95 0.00 0.00 42.46 42.45 1pfj s ILE 55 CO -0.07 -0.54 1.26 -1.20 -1.79 0.00 0.00 174.94 172.61 1pfj n SER 56 N 4.67 2.02 -2.14 4.36 7.64 -1.26 -4.77 113.62 124.14 1pfj n SER 56 Ca -0.06 -3.73 -0.18 0.00 1.01 0.00 0.00 58.87 55.91 1pfj n SER 56 Cb 0.42 -0.54 -0.07 0.00 -1.01 0.00 0.00 64.21 63.01 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 -1.15 2.04 -0.01 1.43 -0.02 -1.25 -3.95 135.00 132.08 1pfj n PRO 57 Ca 0.21 -1.56 -0.04 0.00 -2.02 0.00 0.00 63.50 60.09 1pfj n PRO 57 Cb 0.76 -1.90 -0.12 0.00 -0.02 0.00 0.00 33.50 32.22 1pfj n PRO 57 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1pfj n GLU 58 N 1.36 0.64 -2.83 -0.52 1.02 -1.26 -4.37 120.64 114.68 1pfj n GLU 58 Ca 0.39 0.17 -0.00 0.00 -0.02 0.00 0.00 57.16 57.70 1pfj n GLU 58 Cb 0.67 -1.73 0.05 0.00 -0.02 0.00 0.00 31.44 30.41 1pfj n GLU 58 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1pfj n GLY 59 N 1.50 1.79 0.00 0.62 0.00 -1.25 -5.07 105.19 102.78 1pfj n GLY 59 Ca -0.16 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.65 2.81 -0.05 1.61 4.76 -1.26 -5.00 118.16 120.38 1pfj n LYS 60 Ca 0.06 0.00 -0.01 0.00 -2.87 0.00 0.00 58.31 55.48 1pfj n LYS 60 Cb 0.80 0.00 -0.15 0.00 -1.84 0.00 0.00 35.03 33.84 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 2.01 -0.43 7.82 0.00 -1.26 -4.97 120.51 120.67 1pfj n ALA 61 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 53.44 52.50 1pfj n ALA 61 Cb 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 19.45 18.95 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 -2.61 0.00 -2.99 0.00 0.00 -1.26 -5.09 118.16 106.22 1pfj n LYS 62 Ca -0.19 0.00 -0.04 0.00 -0.00 0.00 0.00 58.31 58.07 1pfj n LYS 62 Cb 0.91 0.00 -0.01 0.00 -0.00 0.00 0.00 35.03 35.93 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 -0.57 -0.89 -0.14 0.58 2.07 -1.26 -4.81 121.20 116.17 1pfj s ILE 63 Ca 0.00 -0.73 -0.03 0.00 -1.41 0.00 0.00 60.65 58.47 1pfj s ILE 63 Cb 0.00 -0.10 -0.03 0.00 0.13 0.00 0.00 42.46 42.46 1pfj s ILE 63 CO 0.00 -0.10 -0.04 0.00 -1.91 0.00 0.00 174.94 172.89 1pfj s GLN 64 N 1.20 3.57 0.35 3.50 -2.07 -1.26 -2.95 119.66 122.00 1pfj s GLN 64 Ca 0.24 -0.52 0.08 0.00 -1.82 0.00 0.00 55.36 53.35 1pfj s GLN 64 Cb -0.02 -2.88 -0.07 0.00 -1.09 0.00 0.00 33.01 28.95 1pfj s GLN 64 CO -0.06 0.30 -0.07 -0.48 -1.32 0.00 0.00 175.29 173.66 1pfj s LEU 65 N 0.20 2.71 -0.04 2.60 -0.00 0.17 -3.94 118.68 120.38 1pfj s LEU 65 Ca -0.02 -1.23 0.01 0.00 -0.00 0.00 0.00 54.13 52.89 1pfj s LEU 65 Cb -0.14 -0.91 0.02 0.00 -0.00 0.00 0.00 46.19 45.16 1pfj s LEU 65 CO 0.03 -0.28 -0.06 -1.58 -0.00 0.00 0.00 176.35 174.46 1pfj s GLN 66 N -3.65 0.92 -0.04 1.48 0.74 -0.85 -1.45 119.66 116.81 1pfj s GLN 66 Ca 0.33 -0.15 0.01 0.00 0.05 0.00 0.00 55.36 55.59 1pfj s GLN 66 Cb 0.04 -0.88 0.02 0.00 1.10 0.00 0.00 33.01 33.29 1pfj s GLN 66 CO 0.16 -0.05 -0.05 -1.17 -0.55 0.00 0.00 175.29 173.64 1pfj s LEU 67 N 0.80 1.38 0.23 3.68 2.96 0.14 -1.49 118.68 126.39 1pfj s LEU 67 Ca -0.11 -0.13 0.08 0.00 -0.22 0.00 0.00 54.13 53.75 1pfj s LEU 67 Cb -0.14 -0.44 -0.04 0.00 0.50 0.00 0.00 46.19 46.07 1pfj s LEU 67 CO 0.01 -0.04 0.06 -0.69 -1.32 0.00 0.00 176.35 174.37 1pfj s VAL 68 N 0.84 3.87 0.23 1.68 1.01 -0.64 0.32 120.40 127.71 1pfj s VAL 68 Ca -0.11 -1.59 -0.14 0.00 0.00 0.00 0.00 61.98 60.13 1pfj s VAL 68 Cb -0.14 -3.04 -0.08 0.00 0.00 0.00 0.00 36.38 33.12 1pfj s VAL 68 CO 0.00 -0.29 0.63 -0.76 0.00 0.00 0.00 175.10 174.69 1pfj s LEU 69 N -3.51 4.21 0.52 3.92 2.01 0.41 0.14 118.68 126.38 1pfj s LEU 69 Ca 0.31 1.15 0.35 0.00 0.01 0.00 0.00 54.13 55.95 1pfj s LEU 69 Cb -0.08 -3.68 1.50 0.00 0.01 0.00 0.00 46.19 43.94 1pfj s LEU 69 CO 0.21 -0.05 1.76 0.45 1.01 0.00 0.00 176.35 179.73 1pfj h HIS 70 N 2.86 0.14 0.00 0.29 3.86 -1.60 -3.36 115.15 117.34 1pfj h HIS 70 Ca -0.48 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 58.74 1pfj h HIS 70 Cb 1.18 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.61 1pfj h HIS 70 CO 0.63 -0.01 0.00 0.00 0.86 0.00 0.00 177.93 179.41 1pfj n ALA 71 N -2.72 0.00 -2.40 2.45 0.00 -1.26 -4.93 120.51 111.64 1pfj n ALA 71 Ca 0.29 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.40 1pfj n ALA 71 Cb 1.29 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.75 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 4.47 5.81 3.14 0.00 0.00 -1.26 -4.98 105.19 112.38 1pfj n GLY 72 Ca 0.00 -2.66 -0.23 0.00 0.00 0.00 0.00 46.02 43.13 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 -2.46 1.86 0.18 1.61 1.01 -1.26 -4.97 116.67 112.64 1pfj s ASP 73 Ca 0.48 -0.32 0.07 0.00 0.71 0.00 0.00 52.55 53.49 1pfj s ASP 73 Cb 0.37 -0.19 -0.04 0.00 1.01 0.00 0.00 42.92 44.06 1pfj s ASP 73 CO -0.25 0.17 0.05 -0.89 0.21 0.00 0.00 175.17 174.46 1pfj s THR 74 N -0.46 3.99 -0.27 -1.27 2.01 -1.26 0.15 115.64 118.54 1pfj s THR 74 Ca 0.06 -1.32 -0.01 0.00 0.31 0.00 0.00 61.69 60.72 1pfj s THR 74 Cb -0.06 -3.03 0.08 0.00 0.01 0.00 0.00 72.50 69.50 1pfj s THR 74 CO -0.00 -0.13 0.05 -0.89 -0.69 0.00 0.00 174.62 172.96 1pfj s THR 75 N -1.77 0.99 -0.07 -0.82 2.01 0.96 -4.90 115.64 112.05 1pfj s THR 75 Ca 0.29 -1.21 0.01 0.00 0.31 0.00 0.00 61.69 61.09 1pfj s THR 75 Cb -0.09 -1.59 -0.03 0.00 0.01 0.00 0.00 72.50 70.79 1pfj s THR 75 CO 0.20 -0.45 -0.08 0.20 -0.69 0.00 0.00 174.62 173.81 1pfj s ASN 76 N 1.59 4.56 0.03 3.53 -0.87 -1.26 0.27 114.94 122.80 1pfj s ASN 76 Ca 0.04 -0.05 -0.03 0.00 -1.57 0.00 0.00 52.86 51.25 1pfj s ASN 76 Cb -0.18 -1.16 -0.02 0.00 -0.02 0.00 0.00 41.25 39.88 1pfj s ASN 76 CO -0.16 0.35 0.03 -0.36 -2.57 0.00 0.00 177.10 174.39 1pfj s PHE 77 N -0.74 0.27 0.23 2.20 0.08 -0.53 -4.80 117.98 114.70 1pfj s PHE 77 Ca 0.11 -0.59 0.01 0.00 0.12 0.00 0.00 56.93 56.58 1pfj s PHE 77 Cb -0.11 -0.20 -0.05 0.00 -0.57 0.00 0.00 43.02 42.09 1pfj s PHE 77 CO 0.01 -0.30 0.08 -1.58 -0.10 0.00 0.00 175.22 173.34 1pfj s HIS 78 N -2.36 1.42 0.04 0.36 5.65 0.64 0.44 115.29 121.49 1pfj s HIS 78 Ca -0.07 -1.18 0.02 0.00 0.25 0.00 0.00 55.06 54.08 1pfj s HIS 78 Cb -0.03 -0.82 -0.02 0.00 -1.18 0.00 0.00 32.58 30.53 1pfj s HIS 78 CO -0.04 -0.36 -0.08 -0.06 -0.65 0.00 0.00 174.74 173.56 1pfj s PHE 79 N -3.79 0.67 -0.30 3.88 0.40 -1.15 -0.51 117.98 117.18 1pfj s PHE 79 Ca 0.35 -0.45 -0.18 0.00 -0.60 0.00 0.00 56.93 56.05 1pfj s PHE 79 Cb 0.07 -0.40 0.19 0.00 0.51 0.00 0.00 43.02 43.39 1pfj s PHE 79 CO 0.12 -0.07 1.22 0.45 0.70 0.00 0.00 175.22 177.63 1pfj s SER 80 N -1.41 -0.18 0.02 1.36 0.15 -1.26 -4.58 113.70 107.80 1pfj s SER 80 Ca -0.08 0.21 0.02 0.00 0.70 0.00 0.00 55.95 56.79 1pfj s SER 80 Cb -0.09 1.19 -0.02 0.00 -1.71 0.00 0.00 66.02 65.39 1pfj s SER 80 CO 0.00 -0.03 -0.06 0.20 1.20 0.00 0.00 173.24 174.55 1pfj s ASN 81 N 2.33 0.69 0.49 5.45 0.02 -1.26 -4.82 114.94 117.85 1pfj s ASN 81 Ca -0.02 -0.36 0.37 0.00 -1.02 0.00 0.00 52.86 51.83 1pfj s ASN 81 Cb -0.03 0.00 1.53 0.00 0.02 0.00 0.00 41.25 42.76 1pfj s ASN 81 CO -0.14 -0.11 1.65 1.05 0.02 0.00 0.00 177.10 179.57 1pfj h GLU 82 N 5.11 0.06 0.00 -0.60 4.11 -2.01 -2.63 114.58 118.61 1pfj h GLU 82 Ca -0.32 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.10 1pfj h GLU 82 Cb 1.20 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1pfj h GLU 82 CO 0.44 0.04 0.00 0.43 0.07 0.00 0.00 179.01 180.00 1pfj n SER 83 N -4.35 0.00 -0.93 3.06 7.64 -1.26 -4.82 113.62 112.96 1pfj n SER 83 Ca 0.36 -1.00 0.02 0.00 1.01 0.00 0.00 58.87 59.26 1pfj n SER 83 Cb 1.54 0.00 0.16 0.00 -1.01 0.00 0.00 64.21 64.90 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 0.00 2.01 -0.43 0.44 -1.04 -1.01 -4.77 114.28 109.48 1pfj n THR 84 Ca 0.00 -3.14 -0.13 0.00 -2.04 0.00 0.00 64.05 58.74 1pfj n THR 84 Cb 0.44 -0.20 0.14 0.00 -1.82 0.00 0.00 70.33 68.89 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 -0.89 4.37 -2.27 2.41 0.00 -1.14 -4.10 120.51 118.89 1pfj n ALA 85 Ca 0.21 -1.81 0.00 0.00 0.00 0.00 0.00 53.44 51.84 1pfj n ALA 85 Cb 0.78 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.96 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 -0.44 0.00 -0.26 0.00 0.24 -1.26 -4.84 118.33 111.77 1pfj n VAL 86 Ca 0.36 0.00 0.02 0.00 -2.04 0.00 0.00 64.34 62.68 1pfj n VAL 86 Cb 1.22 0.00 0.07 0.00 -1.47 0.00 0.00 33.84 33.65 1pfj n VAL 86 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1pfj n LYS 87 N 0.00 -0.11 -0.30 7.34 4.81 -1.26 0.11 118.16 128.74 1pfj n LYS 87 Ca 0.00 1.10 -0.11 0.00 -0.87 0.00 0.00 58.31 58.44 1pfj n LYS 87 Cb 0.00 -1.64 -0.09 0.00 0.02 0.00 0.00 35.03 33.32 1pfj n LYS 87 CO 0.00 0.00 0.00 1.05 1.17 0.00 0.00 177.40 179.62 1pfj h GLU 88 N 0.00 -0.10 -0.11 1.64 9.09 -1.93 1.18 114.58 124.34 1pfj h GLU 88 Ca 0.30 0.01 -0.01 0.00 0.05 0.00 0.00 59.36 59.70 1pfj h GLU 88 Cb 0.48 0.02 -0.00 0.00 -1.65 0.00 0.00 28.75 27.59 1pfj h GLU 88 CO -0.72 -0.07 0.03 0.00 0.05 0.00 0.00 179.01 178.30 1pfj h ARG 89 N -0.10 0.17 -0.90 1.06 2.47 0.10 -2.10 114.38 115.08 1pfj h ARG 89 Ca 0.12 -0.04 0.27 0.00 -1.26 0.00 0.00 59.98 59.07 1pfj h ARG 89 Cb 0.41 -0.02 -0.17 0.00 -1.65 0.00 0.00 29.97 28.55 1pfj h ARG 89 CO -0.75 0.34 0.11 -3.47 0.56 0.00 0.00 179.97 176.76 1pfj n ASP 90 N -4.87 -0.02 -0.02 7.04 -0.08 0.30 0.27 116.55 119.16 1pfj n ASP 90 Ca -0.06 1.52 -0.12 0.00 -1.51 0.00 0.00 54.79 54.62 1pfj n ASP 90 Cb 0.15 -0.59 -0.08 0.00 2.34 0.00 0.00 41.12 42.94 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 1.80 0.08 -0.89 -1.67 0.00 0.18 0.16 119.26 118.91 1pfj h ALA 91 Ca 0.59 -0.19 0.09 0.00 0.00 0.00 0.00 54.91 55.40 1pfj h ALA 91 Cb 1.31 -0.02 -0.12 0.00 0.00 0.00 0.00 17.79 18.95 1pfj h ALA 91 CO -0.81 -0.22 -0.54 0.28 0.00 0.00 0.00 179.25 177.96 1pfj h VAL 92 N -0.21 0.01 -0.14 0.00 2.07 0.43 2.64 116.25 121.05 1pfj h VAL 92 Ca 0.02 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.49 1pfj h VAL 92 Cb 0.38 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 1pfj h VAL 92 CO 0.00 0.00 -0.11 0.50 0.02 0.00 0.00 177.57 177.99 1pfj h LYS 93 N -0.07 0.21 0.00 1.57 3.64 -1.10 0.41 116.57 121.22 1pfj h LYS 93 Ca 0.18 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1pfj h LYS 93 Cb 0.48 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 1pfj h LYS 93 CO -0.88 0.33 0.00 -3.47 -2.27 0.00 0.00 179.45 173.16 1pfj n ASP 94 N -4.30 0.46 -0.14 4.20 2.03 0.81 -2.25 116.55 117.37 1pfj n ASP 94 Ca -0.01 0.67 -0.26 0.00 0.52 0.00 0.00 54.79 55.71 1pfj n ASP 94 Cb 0.25 -0.75 -0.11 0.00 -0.72 0.00 0.00 41.12 39.79 1pfj n ASP 94 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1pfj n LEU 95 N -2.07 2.25 -0.07 -2.67 7.99 0.30 -4.27 117.00 118.46 1pfj n LEU 95 Ca 0.00 0.21 -0.05 0.00 -0.01 0.00 0.00 56.01 56.16 1pfj n LEU 95 Cb 0.10 -0.85 -0.04 0.00 -0.11 0.00 0.00 43.42 42.52 1pfj n LEU 95 CO 0.12 0.68 0.50 -0.07 -1.51 0.00 0.00 177.39 177.10 1pfj h LEU 96 N -0.71 -0.74 0.00 2.23 3.38 -0.55 0.64 115.31 119.55 1pfj h LEU 96 Ca -0.67 0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.40 1pfj h LEU 96 Cb 1.70 0.31 0.00 0.00 0.09 0.00 0.00 40.66 42.75 1pfj h LEU 96 CO -0.33 -0.15 0.00 0.00 0.09 0.00 0.00 178.44 178.05 1pfj n GLN 97 N -3.76 0.09 -0.05 1.13 -0.00 -1.07 -1.35 117.38 112.38 1pfj n GLN 97 Ca -0.01 0.08 -0.19 0.00 -0.00 0.00 0.00 57.00 56.88 1pfj n GLN 97 Cb 0.13 -1.50 -0.13 0.00 -0.00 0.00 0.00 30.24 28.74 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 -1.09 0.71 0.08 2.61 7.27 0.21 -4.20 117.38 122.97 1pfj n GLN 98 Ca 0.02 0.21 -0.03 0.00 0.07 0.00 0.00 57.00 57.28 1pfj n GLN 98 Cb 0.02 -1.64 -0.06 0.00 2.41 0.00 0.00 30.24 30.96 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 0.04 0.00 -1.62 1.69 4.07 -0.15 -3.23 115.31 116.11 1pfj h LEU 99 Ca -0.47 0.00 0.42 0.00 0.08 0.00 0.00 57.88 57.91 1pfj h LEU 99 Cb 2.00 0.00 -0.10 0.00 1.08 0.00 0.00 40.66 43.64 1pfj h LEU 99 CO 0.03 0.77 0.94 0.25 -1.08 0.00 0.00 178.44 179.35 1pfj h LEU 100 N 0.00 0.18 -0.18 1.67 5.85 -1.38 2.94 115.31 124.39 1pfj h LEU 100 Ca -0.05 0.08 -0.22 0.00 0.84 0.00 0.00 57.88 58.53 1pfj h LEU 100 Cb 1.63 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 42.72 1pfj h LEU 100 CO 0.09 -0.08 -0.94 -0.65 -0.34 0.00 0.00 178.44 176.52 1pfj h PRO 101 N 0.10 0.33 -1.04 5.25 0.11 -1.66 -0.35 132.00 134.75 1pfj h PRO 101 Ca 0.77 -0.37 0.27 0.00 0.11 0.00 0.00 66.00 66.78 1pfj h PRO 101 Cb 2.62 0.11 -0.08 0.00 0.11 0.00 0.00 31.00 33.76 1pfj h PRO 101 CO -0.25 1.07 0.69 -0.22 -0.21 0.00 0.00 178.00 179.07 1pfj h LYS 102 N 0.18 0.31 -0.00 1.05 3.64 0.52 -1.19 116.57 121.08 1pfj h LYS 102 Ca -0.07 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1pfj h LYS 102 Cb 1.59 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.34 1pfj h LYS 102 CO 0.16 0.21 -0.03 1.97 -2.27 0.00 0.00 179.45 179.48 1pfj n PHE 103 N -4.54 0.00 -3.39 1.91 -1.74 -1.11 -4.86 117.46 103.74 1pfj n PHE 103 Ca 0.24 0.00 -0.23 0.00 -0.56 0.00 0.00 57.45 56.90 1pfj n PHE 103 Cb 0.92 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.82 1pfj n PHE 103 CO 0.00 0.00 0.00 0.15 -0.56 0.00 0.00 176.76 176.35 1pfj s LYS 104 N -0.51 0.65 0.04 3.97 -0.14 -0.14 -4.90 119.74 118.71 1pfj s LYS 104 Ca 0.02 -1.24 -0.01 0.00 -1.36 0.00 0.00 55.97 53.38 1pfj s LYS 104 Cb 0.02 -1.04 -0.01 0.00 -1.68 0.00 0.00 37.83 35.12 1pfj s LYS 104 CO 0.04 -1.23 -0.02 -2.13 -0.76 0.00 0.00 175.35 171.24 1pfj n ARG 105 N 3.92 0.04 -0.53 1.68 0.63 -1.17 -3.83 116.66 117.40 1pfj n ARG 105 Ca 0.14 0.01 0.00 0.00 -0.92 0.00 0.00 57.85 57.09 1pfj n ARG 105 Cb 0.42 -0.56 0.00 0.00 0.45 0.00 0.00 32.46 32.77 1pfj n ARG 105 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1pfj n LYS 106 N -3.36 1.87 0.00 -0.14 5.02 -1.26 -5.11 118.16 115.19 1pfj n LYS 106 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 1pfj n LYS 106 Cb 0.24 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.25 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 0.86 1.44 7.82 0.00 -1.26 -5.19 120.51 121.18 1pfj n ALA 107 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 1pfj n ALA 107 Cb 0.00 0.00 0.69 0.00 0.00 0.00 0.00 19.45 20.14 1pfj n ALA 107 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79