#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 0.72 0.00 3.04 0.00 -1.26 -5.01 121.76 119.25 1pfj s ALA 2 Ca 0.00 -1.30 0.00 0.00 0.00 0.00 0.00 51.96 50.66 1pfj s ALA 2 Cb 0.00 -1.45 0.00 0.00 0.00 0.00 0.00 23.12 21.67 1pfj s ALA 2 CO 0.00 -1.77 0.00 0.25 0.00 0.00 0.00 175.76 174.24 1pfj n THR 3 N 4.93 0.00 0.00 0.00 -2.24 -1.26 -5.11 114.28 110.60 1pfj n THR 3 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1pfj n THR 3 Cb 0.41 -0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.59 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 -0.55 0.00 0.00 3.42 2.88 -1.26 -5.13 113.62 112.98 1pfj n SER 4 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1pfj n SER 4 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 -2.14 0.00 -4.72 -3.46 7.64 -1.26 -5.12 113.62 104.56 1pfj n SER 5 Ca 0.00 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.58 1pfj n SER 5 Cb 0.00 0.00 0.13 0.00 -1.01 0.00 0.00 64.21 63.33 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 0.88 1.51 -0.24 1.43 1.03 -1.26 -5.02 118.70 117.03 1pfj s GLU 6 Ca 0.00 1.04 0.02 0.00 0.03 0.00 0.00 54.97 56.06 1pfj s GLU 6 Cb 0.00 -1.82 0.05 0.00 -0.80 0.00 0.00 34.13 31.56 1pfj s GLU 6 CO 0.00 -2.13 -0.13 -1.21 -1.33 0.00 0.00 175.26 170.46 1pfj s GLU 7 N -4.87 2.35 0.13 -4.83 0.41 -1.26 -5.04 118.70 105.60 1pfj s GLU 7 Ca 0.63 -1.18 0.00 0.00 -0.41 0.00 0.00 54.97 54.02 1pfj s GLU 7 Cb -0.19 -2.77 -0.04 0.00 -1.78 0.00 0.00 34.13 29.36 1pfj s GLU 7 CO 0.57 -0.48 0.29 0.54 -0.49 0.00 0.00 175.26 175.69 1pfj s VAL 8 N 1.18 5.31 -0.20 2.63 0.11 -1.26 -2.85 120.40 125.32 1pfj s VAL 8 Ca -0.05 -0.44 0.16 0.00 -2.93 0.00 0.00 61.98 58.72 1pfj s VAL 8 Cb -0.18 -3.69 -0.24 0.00 -1.53 0.00 0.00 36.38 30.75 1pfj s VAL 8 CO -0.07 -0.01 0.04 -0.11 -3.33 0.00 0.00 175.10 171.62 1pfj n LEU 9 N -0.20 0.25 -3.61 2.54 7.94 -0.87 -4.82 117.00 118.23 1pfj n LEU 9 Ca -0.05 -0.01 -0.05 0.00 -1.11 0.00 0.00 56.01 54.78 1pfj n LEU 9 Cb 0.53 0.37 -0.04 0.00 0.53 0.00 0.00 43.42 44.81 1pfj n LEU 9 CO 0.50 0.52 0.99 -0.22 -1.11 0.00 0.00 177.39 178.07 1pfj s LEU 10 N -5.54 -0.18 0.01 -1.96 2.96 -0.97 -5.02 118.68 107.98 1pfj s LEU 10 Ca -0.12 0.16 -0.01 0.00 -0.22 0.00 0.00 54.13 53.94 1pfj s LEU 10 Cb 0.06 1.43 -0.01 0.00 0.50 0.00 0.00 46.19 48.17 1pfj s LEU 10 CO 0.79 -0.19 -0.00 -0.51 -1.32 0.00 0.00 176.35 175.12 1pfj s ILE 11 N -1.35 0.07 -0.05 6.68 -1.16 -1.26 0.49 121.20 124.61 1pfj s ILE 11 Ca 0.05 -0.55 0.05 0.00 -0.51 0.00 0.00 60.65 59.69 1pfj s ILE 11 Cb -0.01 -0.18 -0.01 0.00 0.61 0.00 0.00 42.46 42.87 1pfj s ILE 11 CO -0.04 -0.30 -0.19 0.54 -2.81 0.00 0.00 174.94 172.14 1pfj s VAL 12 N -0.89 1.60 0.00 4.00 0.11 -0.06 -5.00 120.40 120.15 1pfj s VAL 12 Ca -0.10 -0.81 0.00 0.00 -2.93 0.00 0.00 61.98 58.14 1pfj s VAL 12 Cb -0.06 -1.37 0.00 0.00 -1.53 0.00 0.00 36.38 33.42 1pfj s VAL 12 CO -0.00 0.45 0.42 1.17 -3.33 0.00 0.00 175.10 173.81 1pfj n LYS 13 N 3.09 0.00 -3.64 1.54 4.81 -1.26 -1.36 118.16 121.33 1pfj n LYS 13 Ca -0.18 0.00 -0.39 0.00 -0.87 0.00 0.00 58.31 56.87 1pfj n LYS 13 Cb 0.53 -0.92 -0.10 0.00 0.02 0.00 0.00 35.03 34.55 1pfj n LYS 13 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1pfj s LYS 14 N -0.85 2.53 0.33 1.64 -0.14 -1.26 -2.11 119.74 119.89 1pfj s LYS 14 Ca 0.00 -1.47 0.07 0.00 -1.36 0.00 0.00 55.97 53.21 1pfj s LYS 14 Cb 0.00 -3.72 -0.03 0.00 -1.68 0.00 0.00 37.83 32.41 1pfj s LYS 14 CO 0.00 -0.94 0.28 0.08 -0.76 0.00 0.00 175.35 174.01 1pfj s VAL 15 N 1.38 3.54 -0.00 3.17 1.01 0.15 -4.67 120.40 124.98 1pfj s VAL 15 Ca 0.03 -1.39 0.05 0.00 0.00 0.00 0.00 61.98 60.67 1pfj s VAL 15 Cb -0.23 -3.18 -0.03 0.00 0.00 0.00 0.00 36.38 32.94 1pfj s VAL 15 CO 0.01 -0.18 -0.15 -0.60 0.00 0.00 0.00 175.10 174.17 1pfj s ARG 16 N -3.98 2.30 -0.01 2.72 6.06 0.94 0.68 118.95 127.67 1pfj s ARG 16 Ca 0.40 -0.84 -0.05 0.00 -2.50 0.00 0.00 55.73 52.74 1pfj s ARG 16 Cb -0.06 -2.29 0.00 0.00 0.06 0.00 0.00 34.95 32.66 1pfj s ARG 16 CO 0.26 0.58 0.11 1.14 -2.50 0.00 0.00 175.30 174.89 1pfj s GLN 17 N -1.14 0.38 0.48 5.12 -2.07 0.12 0.92 119.66 123.47 1pfj s GLN 17 Ca 0.14 -0.31 0.00 0.00 -1.82 0.00 0.00 55.36 53.37 1pfj s GLN 17 Cb -0.11 0.16 0.00 0.00 -1.09 0.00 0.00 33.01 31.97 1pfj s GLN 17 CO 0.04 -0.08 0.77 1.63 -1.32 0.00 0.00 175.29 176.33 1pfj n LYS 18 N 1.82 0.02 -0.11 9.60 4.01 -1.26 -0.79 118.16 131.44 1pfj n LYS 18 Ca -0.21 0.69 -0.22 0.00 -0.51 0.00 0.00 58.31 58.06 1pfj n LYS 18 Cb 0.56 -2.06 -0.07 0.00 -0.51 0.00 0.00 35.03 32.94 1pfj n LYS 18 CO 0.00 0.00 0.00 0.36 -1.11 0.00 0.00 177.40 176.65 1pfj n LYS 19 N -1.99 0.52 -3.98 1.97 2.85 -1.26 -5.09 118.16 111.18 1pfj n LYS 19 Ca 0.00 0.22 -0.09 0.00 -1.05 0.00 0.00 58.31 57.39 1pfj n LYS 19 Cb 0.77 -1.38 -0.05 0.00 -0.65 0.00 0.00 35.03 33.72 1pfj n LYS 19 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 1pfj s GLN 20 N -2.56 1.49 -0.14 -1.58 -1.52 0.03 -5.13 119.66 110.26 1pfj s GLN 20 Ca -0.33 -1.23 -0.05 0.00 -1.95 0.00 0.00 55.36 51.80 1pfj s GLN 20 Cb 0.11 0.46 -0.04 0.00 -0.22 0.00 0.00 33.01 33.33 1pfj s GLN 20 CO 0.43 -0.61 0.03 0.34 -0.25 0.00 0.00 175.29 175.23 1pfj s ASP 21 N -3.01 5.44 0.21 5.90 2.15 -1.26 0.11 116.67 126.22 1pfj s ASP 21 Ca 0.22 0.11 -0.23 0.00 0.43 0.00 0.00 52.55 53.08 1pfj s ASP 21 Cb -0.00 -1.79 0.05 0.00 -0.30 0.00 0.00 42.92 40.88 1pfj s ASP 21 CO 0.08 0.26 0.74 -0.83 -0.17 0.00 0.00 175.17 175.25 1pfj s GLY 22 N -0.18 -0.28 0.22 2.66 0.00 0.21 -4.86 107.32 105.09 1pfj s GLY 22 Ca 0.06 0.07 -0.26 0.00 0.00 0.00 0.00 44.72 44.60 1pfj s GLY 22 CO 0.02 0.02 0.84 0.00 0.00 0.00 0.00 173.10 173.97 1pfj s ALA 23 N -3.72 3.37 -0.19 3.20 0.00 0.44 0.31 121.76 125.17 1pfj s ALA 23 Ca 0.08 0.42 -0.05 0.00 0.00 0.00 0.00 51.96 52.41 1pfj s ALA 23 Cb -0.04 -3.03 -0.02 0.00 0.00 0.00 0.00 23.12 20.03 1pfj s ALA 23 CO -0.00 0.26 -0.01 -1.17 0.00 0.00 0.00 175.76 174.83 1pfj s LEU 24 N -1.47 3.22 -0.10 0.00 0.20 -0.47 -0.83 118.68 119.24 1pfj s LEU 24 Ca 0.41 -0.20 0.00 0.00 0.69 0.00 0.00 54.13 55.02 1pfj s LEU 24 Cb -0.22 -1.81 -0.03 0.00 -0.43 0.00 0.00 46.19 43.71 1pfj s LEU 24 CO 0.26 0.08 -0.08 -0.31 -0.29 0.00 0.00 176.35 176.00 1pfj s TYR 25 N 0.92 2.90 -0.04 5.38 2.02 0.31 -0.88 117.35 127.97 1pfj s TYR 25 Ca 0.01 -0.20 0.06 0.00 -0.37 0.00 0.00 57.07 56.57 1pfj s TYR 25 Cb -0.14 -1.78 -0.02 0.00 -0.40 0.00 0.00 41.96 39.62 1pfj s TYR 25 CO 0.02 0.13 -0.22 -1.17 -1.57 0.00 0.00 175.55 172.74 1pfj s LEU 26 N -0.32 2.29 0.02 -1.29 0.20 0.18 0.39 118.68 120.16 1pfj s LEU 26 Ca 0.04 -0.38 0.01 0.00 0.69 0.00 0.00 54.13 54.49 1pfj s LEU 26 Cb -0.13 -1.42 -0.01 0.00 -0.43 0.00 0.00 46.19 44.20 1pfj s LEU 26 CO 0.02 0.32 -0.03 -0.32 -0.29 0.00 0.00 176.35 176.05 1pfj s MET 27 N -0.59 0.29 0.17 1.98 -2.45 0.20 -2.05 119.30 116.84 1pfj s MET 27 Ca 0.09 -0.45 -0.23 0.00 -1.25 0.00 0.00 55.69 53.85 1pfj s MET 27 Cb -0.11 -0.04 0.05 0.00 1.25 0.00 0.00 34.83 35.98 1pfj s MET 27 CO 0.00 -0.01 1.36 0.00 1.05 0.00 0.00 175.02 177.43 1pfj n ALA 28 N 2.05 -0.38 0.83 4.11 0.00 -1.13 -0.58 120.51 125.41 1pfj n ALA 28 Ca -0.20 0.80 0.12 0.00 0.00 0.00 0.00 53.44 54.17 1pfj n ALA 28 Cb 0.56 -0.23 0.31 0.00 0.00 0.00 0.00 19.45 20.10 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 -5.18 0.12 -3.63 0.00 2.13 -1.26 -4.79 120.64 108.02 1pfj n GLU 29 Ca 0.05 0.05 -0.08 0.00 0.66 0.00 0.00 57.16 57.84 1pfj n GLU 29 Cb 0.28 -1.59 -0.02 0.00 0.27 0.00 0.00 31.44 30.38 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 -3.06 1.27 -0.15 5.31 3.03 0.25 0.13 118.95 125.72 1pfj s ARG 30 Ca 0.10 -0.61 -0.03 0.00 2.03 0.00 0.00 55.73 57.23 1pfj s ARG 30 Cb 0.16 0.50 -0.02 0.00 -1.03 0.00 0.00 34.95 34.56 1pfj s ARG 30 CO 0.66 -0.57 -0.07 0.42 -1.13 0.00 0.00 175.30 174.62 1pfj s ILE 31 N -3.52 3.59 0.05 4.99 1.01 -0.27 0.58 121.20 127.63 1pfj s ILE 31 Ca 0.07 -0.46 0.06 0.00 0.00 0.00 0.00 60.65 60.32 1pfj s ILE 31 Cb -0.02 -2.56 -0.04 0.00 0.01 0.00 0.00 42.46 39.85 1pfj s ILE 31 CO -0.03 0.49 -0.11 0.00 0.00 0.00 0.00 174.94 175.30 1pfj s ALA 32 N 0.47 2.89 -0.02 9.38 0.00 0.16 -0.31 121.76 134.34 1pfj s ALA 32 Ca -0.05 -1.15 0.03 0.00 0.00 0.00 0.00 51.96 50.79 1pfj s ALA 32 Cb -0.15 -0.94 -0.00 0.00 0.00 0.00 0.00 23.12 22.03 1pfj s ALA 32 CO 0.03 0.62 -0.11 -0.46 0.00 0.00 0.00 175.76 175.84 1pfj s TRP 33 N -1.07 1.01 -0.04 0.00 -0.00 0.22 0.12 118.94 119.18 1pfj s TRP 33 Ca 0.18 -0.22 -0.18 0.00 -0.00 0.00 0.00 56.10 55.88 1pfj s TRP 33 Cb -0.11 -0.68 0.03 0.00 -0.00 0.00 0.00 33.47 32.72 1pfj s TRP 33 CO 0.10 -0.05 0.40 0.00 -0.00 0.00 0.00 176.95 177.39 1pfj s ALA 34 N -0.08 -1.01 0.00 5.86 0.00 -0.01 0.29 121.76 126.81 1pfj s ALA 34 Ca 0.01 0.63 0.00 0.00 0.00 0.00 0.00 51.96 52.60 1pfj s ALA 34 Cb -0.06 -0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.02 1pfj s ALA 34 CO 0.00 -0.27 0.00 -0.35 0.00 0.00 0.00 175.76 175.14 1pfj n PRO 35 N 1.40 1.71 -2.48 0.00 -0.04 -1.26 0.17 135.00 134.50 1pfj n PRO 35 Ca -0.20 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 62.86 1pfj n PRO 35 Cb 0.56 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.99 1pfj n PRO 35 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 1pfj s GLU 36 N -1.08 3.20 0.19 0.54 -1.05 -1.26 -4.85 118.70 114.39 1pfj s GLU 36 Ca 0.00 -0.37 -0.23 0.00 -0.15 0.00 0.00 54.97 54.22 1pfj s GLU 36 Cb 0.00 -4.53 0.06 0.00 -0.44 0.00 0.00 34.13 29.21 1pfj s GLU 36 CO 0.00 -2.28 0.64 0.20 0.95 0.00 0.00 175.26 174.77 1pfj s GLY 37 N 4.70 -0.46 0.33 -3.83 0.00 -1.26 -5.01 107.32 101.78 1pfj s GLY 37 Ca 0.43 0.26 0.12 0.00 0.00 0.00 0.00 44.72 45.52 1pfj s GLY 37 CO 0.09 0.09 1.68 1.70 0.00 0.00 0.00 173.10 176.66 1pfj h LYS 38 N 2.00 0.37 -7.05 2.90 3.64 -2.03 -3.37 116.57 113.03 1pfj h LYS 38 Ca -0.29 -0.02 -0.49 0.00 -1.27 0.00 0.00 60.65 58.58 1pfj h LYS 38 Cb 1.29 -0.08 0.04 0.00 -0.41 0.00 0.00 32.23 33.07 1pfj h LYS 38 CO 0.33 0.25 0.42 0.16 -2.27 0.00 0.00 179.45 178.34 1pfj s ASP 39 N -5.01 6.17 0.00 4.20 1.47 -1.26 -4.92 116.67 117.33 1pfj s ASP 39 Ca -0.10 2.07 0.20 0.00 1.18 0.00 0.00 52.55 55.90 1pfj s ASP 39 Cb 0.29 -2.58 0.07 0.00 -0.34 0.00 0.00 42.92 40.36 1pfj s ASP 39 CO 0.79 -0.90 1.06 0.54 0.68 0.00 0.00 175.17 177.33 1pfj n ARG 40 N -0.91 1.63 -3.75 2.11 3.00 -1.26 -4.79 116.66 112.69 1pfj n ARG 40 Ca 0.09 -1.27 -0.14 0.00 -0.01 0.00 0.00 57.85 56.52 1pfj n ARG 40 Cb 0.51 -1.39 -0.15 0.00 0.00 0.00 0.00 32.46 31.43 1pfj n ARG 40 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 1pfj s PHE 41 N -2.02 -0.10 -0.15 -1.55 0.08 -1.26 -4.42 117.98 108.55 1pfj s PHE 41 Ca 0.20 0.36 0.14 0.00 0.12 0.00 0.00 56.93 57.75 1pfj s PHE 41 Cb 0.17 -0.14 -0.19 0.00 -0.57 0.00 0.00 43.02 42.28 1pfj s PHE 41 CO 0.40 -0.14 0.06 -2.37 -0.10 0.00 0.00 175.22 173.07 1pfj n THR 42 N 4.22 1.05 -3.78 0.64 5.66 0.83 -4.88 114.28 118.02 1pfj n THR 42 Ca -0.27 -0.66 -0.10 0.00 -3.05 0.00 0.00 64.05 59.98 1pfj n THR 42 Cb 0.51 -0.57 -0.07 0.00 -1.55 0.00 0.00 70.33 68.65 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 -2.39 0.11 -0.26 1.09 -1.16 0.93 -4.93 121.20 114.58 1pfj s ILE 43 Ca -0.08 -0.88 -0.04 0.00 -0.51 0.00 0.00 60.65 59.14 1pfj s ILE 43 Cb 0.05 -1.14 0.14 0.00 0.61 0.00 0.00 42.46 42.12 1pfj s ILE 43 CO 0.64 -0.49 0.51 -0.94 -2.81 0.00 0.00 174.94 171.85 1pfj s SER 44 N -2.53 -0.64 -0.20 4.50 1.04 -1.25 0.72 113.70 115.34 1pfj s SER 44 Ca 0.00 0.83 -0.04 0.00 0.48 0.00 0.00 55.95 57.23 1pfj s SER 44 Cb 0.02 1.72 -0.02 0.00 0.10 0.00 0.00 66.02 67.84 1pfj s SER 44 CO -0.08 -0.26 -0.02 -1.00 0.98 0.00 0.00 173.24 172.86 1pfj s HIS 45 N 2.73 3.00 -0.25 5.02 0.09 0.58 -4.88 115.29 121.57 1pfj s HIS 45 Ca 0.09 -0.59 -0.29 0.00 -0.00 0.00 0.00 55.06 54.28 1pfj s HIS 45 Cb -0.14 -2.07 -0.03 0.00 -0.00 0.00 0.00 32.58 30.34 1pfj s HIS 45 CO -0.17 -0.31 1.74 1.41 -0.00 0.00 0.00 174.74 177.40 1pfj s MET 46 N 1.07 3.59 0.37 1.40 1.75 -1.26 -1.12 119.30 125.11 1pfj s MET 46 Ca 0.02 1.64 0.21 0.00 -1.25 0.00 0.00 55.69 56.30 1pfj s MET 46 Cb -0.14 -4.12 1.34 0.00 2.84 0.00 0.00 34.83 34.74 1pfj s MET 46 CO 0.01 -1.55 1.58 1.88 -0.65 0.00 0.00 175.02 176.30 1pfj h TYR 47 N 11.81 0.83 -0.27 4.11 0.05 0.71 2.72 116.97 136.93 1pfj h TYR 47 Ca -0.35 0.04 -0.13 0.00 0.05 0.00 0.00 58.73 58.34 1pfj h TYR 47 Cb 1.17 -0.19 -0.01 0.00 1.01 0.00 0.00 36.73 38.71 1pfj h TYR 47 CO 0.93 -0.47 -0.38 0.00 -1.05 0.00 0.00 178.16 177.19 1pfj h ALA 48 N 1.99 0.82 0.00 3.88 0.00 -1.88 -1.13 119.26 122.95 1pfj h ALA 48 Ca 0.85 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 55.32 1pfj h ALA 48 Cb 2.24 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.91 1pfj h ALA 48 CO -0.76 0.65 0.00 -0.25 0.00 0.00 0.00 179.25 178.88 1pfj n ASP 49 N -4.04 0.00 -3.85 0.00 9.92 0.90 -4.47 116.55 115.01 1pfj n ASP 49 Ca -0.02 0.03 -0.14 0.00 -0.53 0.00 0.00 54.79 54.14 1pfj n ASP 49 Cb 0.51 -0.16 -0.15 0.00 -0.64 0.00 0.00 41.12 40.68 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 -2.32 0.07 -0.25 0.53 -4.36 -0.42 -4.07 121.20 110.37 1pfj s ILE 50 Ca 0.07 0.04 -0.04 0.00 -0.26 0.00 0.00 60.65 60.47 1pfj s ILE 50 Cb 0.04 -0.12 0.09 0.00 1.25 0.00 0.00 42.46 43.72 1pfj s ILE 50 CO 0.08 0.06 0.11 -0.75 0.24 0.00 0.00 174.94 174.68 1pfj s LYS 51 N 0.45 0.25 0.00 0.37 2.36 0.53 -4.76 119.74 118.94 1pfj s LYS 51 Ca -0.04 -0.46 0.00 0.00 -2.55 0.00 0.00 55.97 52.92 1pfj s LYS 51 Cb -0.06 -1.51 0.00 0.00 -1.05 0.00 0.00 37.83 35.21 1pfj s LYS 51 CO -0.01 -0.89 0.00 0.00 1.55 0.00 0.00 175.35 176.00 1pfj s GLN 53 N -0.02 0.06 -0.17 0.00 -1.52 -1.26 -1.56 119.66 115.18 1pfj s GLN 53 Ca 0.00 0.58 -0.02 0.00 -1.95 0.00 0.00 55.36 53.96 1pfj s GLN 53 Cb 0.00 -0.23 0.05 0.00 -0.22 0.00 0.00 33.01 32.62 1pfj s GLN 53 CO 0.00 -0.29 0.02 0.21 -0.25 0.00 0.00 175.29 174.98 1pfj s LYS 54 N 2.21 0.74 -0.26 2.91 2.20 0.13 -5.00 119.74 122.67 1pfj s LYS 54 Ca 0.02 -0.35 -0.04 0.00 -0.36 0.00 0.00 55.97 55.24 1pfj s LYS 54 Cb -0.12 -1.91 0.10 0.00 -1.51 0.00 0.00 37.83 34.39 1pfj s LYS 54 CO -0.06 -0.56 0.16 0.42 -0.36 0.00 0.00 175.35 174.95 1pfj s ILE 55 N 1.85 -0.16 -0.28 5.43 -1.09 -1.26 -0.90 121.20 124.78 1pfj s ILE 55 Ca 0.00 -0.54 0.08 0.00 -2.23 0.00 0.00 60.65 57.96 1pfj s ILE 55 Cb -0.16 -0.88 0.45 0.00 -1.58 0.00 0.00 42.46 40.29 1pfj s ILE 55 CO -0.07 -0.55 1.23 -1.54 -1.23 0.00 0.00 174.94 172.77 1pfj n SER 56 N 5.27 4.25 -2.45 3.58 3.41 -1.26 -4.85 113.62 121.57 1pfj n SER 56 Ca -0.05 -3.79 -0.21 0.00 -0.26 0.00 0.00 58.87 54.56 1pfj n SER 56 Cb 0.45 -0.41 -0.12 0.00 -0.26 0.00 0.00 64.21 63.87 1pfj n SER 56 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 1pfj n PRO 57 N -0.81 2.52 -0.05 4.33 -0.02 -1.26 -3.57 135.00 136.14 1pfj n PRO 57 Ca 0.39 -1.38 -0.02 0.00 -2.02 0.00 0.00 63.50 60.47 1pfj n PRO 57 Cb 0.90 -2.26 -0.11 0.00 -0.02 0.00 0.00 33.50 32.02 1pfj n PRO 57 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1pfj n GLU 58 N 2.89 1.41 -1.03 -0.52 0.28 -1.26 -4.60 120.64 117.80 1pfj n GLU 58 Ca 0.54 -0.05 0.01 0.00 -0.16 0.00 0.00 57.16 57.50 1pfj n GLU 58 Cb 0.67 -1.34 -0.00 0.00 1.43 0.00 0.00 31.44 32.20 1pfj n GLU 58 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1pfj n GLY 59 N 2.04 0.78 0.06 -1.84 0.00 -1.23 -5.11 105.19 99.88 1pfj n GLY 59 Ca -0.15 -0.40 -0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 0.23 0.22 0.22 1.61 4.01 -1.24 -5.01 118.16 118.21 1pfj n LYS 60 Ca -0.01 -0.04 -0.10 0.00 -0.51 0.00 0.00 58.31 57.65 1pfj n LYS 60 Cb 0.89 -0.02 -0.05 0.00 -0.51 0.00 0.00 35.03 35.34 1pfj n LYS 60 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1pfj h ALA 61 N -1.40 -1.10 0.00 7.82 0.00 -1.97 -3.43 119.26 119.18 1pfj h ALA 61 Ca -0.01 -0.13 -0.21 0.00 0.00 0.00 0.00 54.91 54.56 1pfj h ALA 61 Cb 0.02 0.35 -0.15 0.00 0.00 0.00 0.00 17.79 18.02 1pfj h ALA 61 CO 0.00 -1.07 -0.32 0.36 0.00 0.00 0.00 179.25 178.23 1pfj n LYS 62 N -3.87 1.12 -1.69 0.00 2.85 -1.26 -5.06 118.16 110.25 1pfj n LYS 62 Ca -0.08 -1.75 -0.01 0.00 -1.05 0.00 0.00 58.31 55.43 1pfj n LYS 62 Cb 0.26 -0.08 0.00 0.00 -0.65 0.00 0.00 35.03 34.56 1pfj n LYS 62 CO 0.00 0.00 0.00 1.51 -0.05 0.00 0.00 177.40 178.86 1pfj n ILE 63 N -0.55 -3.42 -4.68 0.58 3.06 -1.26 -4.27 119.36 108.81 1pfj n ILE 63 Ca -0.04 0.19 -0.25 0.00 -2.50 0.00 0.00 62.75 60.15 1pfj n ILE 63 Cb 0.83 -4.47 -0.16 0.00 0.54 0.00 0.00 39.64 36.38 1pfj n ILE 63 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1pfj s GLN 64 N -0.82 1.70 0.24 9.51 -2.07 -1.26 -2.98 119.66 123.97 1pfj s GLN 64 Ca 0.02 -0.49 0.07 0.00 -1.82 0.00 0.00 55.36 53.15 1pfj s GLN 64 Cb -0.01 -1.43 -0.05 0.00 -1.09 0.00 0.00 33.01 30.43 1pfj s GLN 64 CO 0.12 0.12 -0.11 -0.48 -1.32 0.00 0.00 175.29 173.61 1pfj s LEU 65 N 0.37 2.52 -0.15 2.60 -0.00 -0.34 -4.12 118.68 119.56 1pfj s LEU 65 Ca -0.10 -1.09 -0.08 0.00 -0.00 0.00 0.00 54.13 52.86 1pfj s LEU 65 Cb -0.14 -0.67 0.06 0.00 -0.00 0.00 0.00 46.19 45.44 1pfj s LEU 65 CO 0.03 -0.23 0.35 -1.58 -0.00 0.00 0.00 176.35 174.92 1pfj s GLN 66 N -3.67 0.32 0.06 1.48 0.74 -0.08 -1.57 119.66 116.94 1pfj s GLN 66 Ca 0.26 0.73 0.02 0.00 0.05 0.00 0.00 55.36 56.42 1pfj s GLN 66 Cb 0.01 -0.02 -0.03 0.00 1.10 0.00 0.00 33.01 34.07 1pfj s GLN 66 CO 0.09 -0.18 -0.07 -1.17 -0.55 0.00 0.00 175.29 173.41 1pfj s LEU 67 N 1.53 2.33 0.18 3.68 0.20 -0.40 0.18 118.68 126.38 1pfj s LEU 67 Ca -0.08 -0.69 0.08 0.00 0.69 0.00 0.00 54.13 54.12 1pfj s LEU 67 Cb -0.10 -0.13 -0.04 0.00 -0.43 0.00 0.00 46.19 45.50 1pfj s LEU 67 CO -0.11 -0.29 -0.15 -0.69 -0.29 0.00 0.00 176.35 174.82 1pfj s VAL 68 N -2.08 1.67 0.19 1.68 1.01 -0.60 0.10 120.40 122.37 1pfj s VAL 68 Ca -0.03 -2.06 -0.17 0.00 0.00 0.00 0.00 61.98 59.71 1pfj s VAL 68 Cb -0.05 -1.91 -0.08 0.00 0.00 0.00 0.00 36.38 34.34 1pfj s VAL 68 CO -0.01 -0.51 0.65 -0.76 0.00 0.00 0.00 175.10 174.46 1pfj s LEU 69 N -3.03 4.34 0.52 3.92 2.01 0.39 0.20 118.68 127.03 1pfj s LEU 69 Ca 0.19 1.26 0.36 0.00 0.01 0.00 0.00 54.13 55.95 1pfj s LEU 69 Cb -0.02 -3.45 1.52 0.00 0.01 0.00 0.00 46.19 44.25 1pfj s LEU 69 CO 0.06 0.06 1.75 1.12 1.01 0.00 0.00 176.35 180.35 1pfj h HIS 70 N 3.47 0.12 -0.40 0.29 2.07 -1.79 -3.36 115.15 115.56 1pfj h HIS 70 Ca -0.48 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.04 1pfj h HIS 70 Cb 1.19 -0.03 0.00 0.00 2.57 0.00 0.00 27.41 31.14 1pfj h HIS 70 CO 0.64 -0.01 0.00 0.00 -3.07 0.00 0.00 177.93 175.49 1pfj n ALA 71 N -2.74 0.00 -2.26 6.11 0.00 -1.26 -4.92 120.51 115.44 1pfj n ALA 71 Ca 0.30 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.40 1pfj n ALA 71 Cb 1.34 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.81 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 4.27 5.77 3.02 0.00 0.00 -1.26 -4.94 105.19 112.06 1pfj n GLY 72 Ca 0.00 -2.62 -0.25 0.00 0.00 0.00 0.00 46.02 43.15 1pfj n GLY 72 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1pfj s ASP 73 N -2.26 1.82 0.32 1.61 -1.08 -1.26 -4.99 116.67 110.83 1pfj s ASP 73 Ca 0.49 -0.30 0.08 0.00 -0.52 0.00 0.00 52.55 52.30 1pfj s ASP 73 Cb 0.40 -0.84 -0.03 0.00 -1.46 0.00 0.00 42.92 40.99 1pfj s ASP 73 CO -0.29 0.03 0.20 -0.89 0.52 0.00 0.00 175.17 174.74 1pfj s THR 74 N 0.72 3.49 -0.24 1.71 2.01 -1.26 0.15 115.64 122.22 1pfj s THR 74 Ca -0.13 -1.53 -0.03 0.00 0.31 0.00 0.00 61.69 60.31 1pfj s THR 74 Cb -0.16 -3.12 0.08 0.00 0.01 0.00 0.00 72.50 69.31 1pfj s THR 74 CO 0.03 -0.22 0.07 -0.89 -0.69 0.00 0.00 174.62 172.92 1pfj s THR 75 N -2.32 0.48 0.02 -0.82 2.01 0.29 -4.90 115.64 110.39 1pfj s THR 75 Ca 0.38 -0.77 0.03 0.00 0.31 0.00 0.00 61.69 61.63 1pfj s THR 75 Cb -0.05 -1.15 -0.04 0.00 0.01 0.00 0.00 72.50 71.27 1pfj s THR 75 CO 0.24 -0.41 -0.04 0.20 -0.69 0.00 0.00 174.62 173.93 1pfj s ASN 76 N 1.85 4.85 -0.01 3.53 0.01 -1.26 -1.28 114.94 122.63 1pfj s ASN 76 Ca 0.03 -0.11 -0.02 0.00 -0.71 0.00 0.00 52.86 52.05 1pfj s ASN 76 Cb -0.17 -1.18 -0.00 0.00 0.41 0.00 0.00 41.25 40.31 1pfj s ASN 76 CO -0.17 0.26 0.05 -0.36 -1.51 0.00 0.00 177.10 175.37 1pfj s PHE 77 N -1.08 0.01 -0.04 2.20 0.08 -0.61 -4.49 117.98 114.06 1pfj s PHE 77 Ca 0.19 -0.01 -0.08 0.00 0.12 0.00 0.00 56.93 57.15 1pfj s PHE 77 Cb -0.11 -0.03 0.01 0.00 -0.57 0.00 0.00 43.02 42.32 1pfj s PHE 77 CO 0.10 -0.09 0.18 -1.58 -0.10 0.00 0.00 175.22 173.73 1pfj s HIS 78 N -0.43 -0.10 -0.06 0.36 5.65 0.26 -1.20 115.29 119.77 1pfj s HIS 78 Ca -0.05 0.23 0.02 0.00 0.25 0.00 0.00 55.06 55.51 1pfj s HIS 78 Cb -0.03 0.02 -0.03 0.00 -1.18 0.00 0.00 32.58 31.37 1pfj s HIS 78 CO 0.00 -0.21 -0.11 -0.06 -0.65 0.00 0.00 174.74 173.71 1pfj s PHE 79 N -0.66 2.80 -0.30 3.88 0.40 -1.16 0.32 117.98 123.26 1pfj s PHE 79 Ca -0.07 -0.09 -0.18 0.00 -0.60 0.00 0.00 56.93 55.99 1pfj s PHE 79 Cb -0.04 -1.66 0.19 0.00 0.51 0.00 0.00 43.02 42.01 1pfj s PHE 79 CO 0.01 0.24 1.21 0.45 0.70 0.00 0.00 175.22 177.83 1pfj s SER 80 N -0.75 -0.19 0.00 1.36 0.15 -1.26 -4.43 113.70 108.57 1pfj s SER 80 Ca 0.12 0.24 0.00 0.00 0.70 0.00 0.00 55.95 57.00 1pfj s SER 80 Cb -0.11 1.21 0.00 0.00 -1.71 0.00 0.00 66.02 65.41 1pfj s SER 80 CO 0.01 -0.04 0.00 0.59 1.20 0.00 0.00 173.24 175.00 1pfj n ASN 81 N 4.81 0.00 -0.31 5.45 3.02 -1.26 -4.86 115.26 122.12 1pfj n ASN 81 Ca -0.07 -0.71 0.12 0.00 -0.03 0.00 0.00 54.58 53.89 1pfj n ASN 81 Cb 0.55 0.00 0.30 0.00 -0.61 0.00 0.00 39.78 40.01 1pfj n ASN 81 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1pfj h GLU 82 N 0.00 0.44 -0.04 3.52 3.07 -2.01 -3.30 114.58 116.26 1pfj h GLU 82 Ca 0.00 -0.03 -0.16 0.00 -0.50 0.00 0.00 59.36 58.67 1pfj h GLU 82 Cb 0.00 -0.10 -0.24 0.00 -0.84 0.00 0.00 28.75 27.57 1pfj h GLU 82 CO 0.00 0.29 -0.60 0.43 -1.40 0.00 0.00 179.01 177.73 1pfj n SER 83 N -5.00 -0.19 -0.01 1.42 7.64 -1.26 -4.91 113.62 111.30 1pfj n SER 83 Ca 0.21 -2.03 -0.10 0.00 1.01 0.00 0.00 58.87 57.96 1pfj n SER 83 Cb 0.62 0.09 -0.14 0.00 -1.01 0.00 0.00 64.21 63.77 1pfj n SER 83 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1pfj h THR 84 N 5.58 0.89 -0.73 0.44 1.35 -1.90 -3.41 112.91 115.14 1pfj h THR 84 Ca -0.41 -2.71 -0.61 0.00 -0.55 0.00 0.00 66.41 62.13 1pfj h THR 84 Cb 1.54 2.47 -0.07 0.00 -1.73 0.00 0.00 68.15 70.37 1pfj h THR 84 CO -0.11 0.58 2.01 0.00 -0.25 0.00 0.00 175.52 177.74 1pfj n ALA 85 N -2.60 3.26 -2.94 6.62 0.00 -1.26 -3.95 120.51 119.65 1pfj n ALA 85 Ca -0.17 -3.67 0.00 0.00 0.00 0.00 0.00 53.44 49.60 1pfj n ALA 85 Cb 1.04 -3.58 0.00 0.00 0.00 0.00 0.00 19.45 16.91 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 6.64 0.00 -0.13 0.00 0.31 -1.26 -4.92 118.33 118.97 1pfj n VAL 86 Ca 0.48 0.00 0.28 0.00 -0.01 0.00 0.00 64.34 65.09 1pfj n VAL 86 Cb 0.46 0.00 0.71 0.00 -0.91 0.00 0.00 33.84 34.10 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 0.00 0.00 5.55 1.63 -1.94 1.01 116.57 122.82 1pfj h LYS 87 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1pfj h LYS 87 Cb 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 1pfj h LYS 87 CO 0.00 0.00 0.00 0.39 -3.45 0.00 0.00 179.45 176.39 1pfj n GLU 88 N -3.95 0.00 -0.27 1.90 1.02 -1.26 0.14 120.64 118.21 1pfj n GLU 88 Ca 0.17 0.48 0.06 0.00 -0.02 0.00 0.00 57.16 57.86 1pfj n GLU 88 Cb 0.98 -1.40 0.29 0.00 -0.02 0.00 0.00 31.44 31.29 1pfj n GLU 88 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1pfj h ARG 89 N 0.00 0.87 0.00 3.49 2.47 -1.44 1.80 114.38 121.57 1pfj h ARG 89 Ca 0.00 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.67 1pfj h ARG 89 Cb 0.00 -0.20 0.00 0.00 -1.65 0.00 0.00 29.97 28.12 1pfj h ARG 89 CO 0.00 0.58 0.06 0.22 0.56 0.00 0.00 179.97 181.39 1pfj h ASP 90 N 0.90 0.00 0.22 7.04 1.82 0.16 0.72 116.42 127.28 1pfj h ASP 90 Ca 0.39 0.00 -0.35 0.00 -0.39 0.00 0.00 57.03 56.68 1pfj h ASP 90 Cb 0.34 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.36 1pfj h ASP 90 CO -0.16 0.00 -1.70 0.00 -1.61 0.00 0.00 179.24 175.77 1pfj h ALA 91 N 1.86 0.10 -0.36 -0.78 0.00 1.13 -0.62 119.26 120.59 1pfj h ALA 91 Ca 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 54.91 53.82 1pfj h ALA 91 Cb 0.13 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1pfj h ALA 91 CO 0.00 0.97 0.00 0.28 0.00 0.00 0.00 179.25 180.50 1pfj n VAL 92 N -3.61 0.00 -0.38 0.00 0.31 0.22 -1.44 118.33 113.43 1pfj n VAL 92 Ca -0.23 1.44 0.30 0.00 -0.01 0.00 0.00 64.34 65.84 1pfj n VAL 92 Cb 1.08 -2.42 0.57 0.00 -0.91 0.00 0.00 33.84 32.17 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 0.20 -0.63 5.55 3.64 -0.89 2.41 116.57 126.85 1pfj h LYS 93 Ca 0.00 -0.01 0.17 0.00 -1.27 0.00 0.00 60.65 59.54 1pfj h LYS 93 Cb 0.00 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.75 1pfj h LYS 93 CO 0.00 0.13 0.45 -0.44 -2.27 0.00 0.00 179.45 177.32 1pfj h ASP 94 N 0.20 0.06 0.08 4.20 3.32 -0.00 -1.85 116.42 122.43 1pfj h ASP 94 Ca 0.75 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 57.45 1pfj h ASP 94 Cb 2.11 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 41.62 1pfj h ASP 94 CO -0.45 0.03 -2.03 0.18 -1.72 0.00 0.00 179.24 175.24 1pfj n LEU 95 N -4.37 2.57 -0.04 1.55 7.99 0.79 -4.20 117.00 121.30 1pfj n LEU 95 Ca 0.12 0.17 -0.03 0.00 -0.01 0.00 0.00 56.01 56.26 1pfj n LEU 95 Cb 0.66 -1.04 -0.02 0.00 -0.11 0.00 0.00 43.42 42.91 1pfj n LEU 95 CO 0.37 0.78 0.50 -0.07 -1.51 0.00 0.00 177.39 177.46 1pfj h LEU 96 N -0.14 -0.39 0.00 2.23 3.38 -0.24 0.87 115.31 121.02 1pfj h LEU 96 Ca -0.46 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1pfj h LEU 96 Cb 1.89 0.16 0.00 0.00 0.09 0.00 0.00 40.66 42.80 1pfj h LEU 96 CO -0.02 -0.07 0.00 0.00 0.09 0.00 0.00 178.44 178.44 1pfj n GLN 97 N -3.30 0.01 -0.04 1.13 -0.00 -1.01 -1.23 117.38 112.94 1pfj n GLN 97 Ca -0.00 0.07 -0.16 0.00 -0.00 0.00 0.00 57.00 56.90 1pfj n GLN 97 Cb 0.06 -1.50 -0.14 0.00 -0.00 0.00 0.00 30.24 28.67 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 -1.07 0.70 0.08 2.61 7.27 0.29 -4.26 117.38 123.01 1pfj n GLN 98 Ca 0.00 0.21 0.02 0.00 0.07 0.00 0.00 57.00 57.30 1pfj n GLN 98 Cb 0.00 -1.67 -0.03 0.00 2.41 0.00 0.00 30.24 30.95 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 0.03 0.00 -1.64 1.69 4.07 0.10 -3.29 115.31 116.28 1pfj h LEU 99 Ca -0.44 0.00 0.26 0.00 0.08 0.00 0.00 57.88 57.78 1pfj h LEU 99 Cb 2.03 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 43.70 1pfj h LEU 99 CO 0.04 0.51 0.67 -0.07 -1.08 0.00 0.00 178.44 178.51 1pfj h LEU 100 N 0.00 0.27 0.00 1.67 3.38 -1.60 2.38 115.31 121.41 1pfj h LEU 100 Ca -0.08 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1pfj h LEU 100 Cb 1.46 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.20 1pfj h LEU 100 CO 0.05 0.08 0.00 -2.65 0.09 0.00 0.00 178.44 176.01 1pfj n PRO 101 N -4.45 0.30 0.08 1.13 -0.02 -1.24 -2.47 135.00 128.34 1pfj n PRO 101 Ca 0.22 0.09 -0.22 0.00 -2.02 0.00 0.00 63.50 61.57 1pfj n PRO 101 Cb 0.91 -1.50 -0.15 0.00 -0.02 0.00 0.00 33.50 32.73 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 0.39 -0.26 -0.52 3.64 0.39 -3.36 116.57 116.85 1pfj h LYS 102 Ca 0.00 -0.67 0.00 0.00 -1.27 0.00 0.00 60.65 58.71 1pfj h LYS 102 Cb 0.18 0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 1pfj h LYS 102 CO 0.00 1.32 0.00 1.97 -2.27 0.00 0.00 179.45 180.47 1pfj n PHE 103 N -3.94 0.33 -3.24 1.91 -1.74 -1.21 -4.86 117.46 104.70 1pfj n PHE 103 Ca -0.16 -0.27 -0.02 0.00 -0.56 0.00 0.00 57.45 56.43 1pfj n PHE 103 Cb 0.94 -0.01 -0.04 0.00 1.52 0.00 0.00 39.48 41.89 1pfj n PHE 103 CO 0.00 0.00 0.00 0.21 -0.56 0.00 0.00 176.76 176.41 1pfj s LYS 104 N -1.09 0.47 0.00 3.97 2.47 -1.03 -4.89 119.74 119.65 1pfj s LYS 104 Ca 0.24 0.59 0.00 0.00 -1.56 0.00 0.00 55.97 55.24 1pfj s LYS 104 Cb 0.14 0.02 0.00 0.00 -1.46 0.00 0.00 37.83 36.53 1pfj s LYS 104 CO 0.19 -0.81 0.00 2.89 0.16 0.00 0.00 175.35 177.79 1pfj n ARG 105 N 5.39 0.00 -2.92 4.03 1.85 -1.26 -4.20 116.66 119.55 1pfj n ARG 105 Ca -0.00 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.43 1pfj n ARG 105 Cb 0.51 -0.24 -0.05 0.00 -1.05 0.00 0.00 32.46 31.63 1pfj n ARG 105 CO 0.00 0.00 0.00 0.21 -0.01 0.00 0.00 177.63 177.83 1pfj s LYS 106 N -1.72 3.73 -0.15 2.89 2.20 -1.26 -5.00 119.74 120.43 1pfj s LYS 106 Ca 0.00 0.32 -0.04 0.00 -0.36 0.00 0.00 55.97 55.89 1pfj s LYS 106 Cb 0.00 -3.82 0.05 0.00 -1.51 0.00 0.00 37.83 32.55 1pfj s LYS 106 CO 0.00 -0.91 0.07 0.00 -0.36 0.00 0.00 175.35 174.15 1pfj s ALA 107 N 3.22 0.49 0.00 3.13 0.00 -1.26 -5.24 121.76 122.10 1pfj s ALA 107 Ca 0.33 -0.28 0.00 0.00 0.00 0.00 0.00 51.96 52.01 1pfj s ALA 107 Cb -0.13 -0.98 0.00 0.00 0.00 0.00 0.00 23.12 22.01 1pfj s ALA 107 CO 0.18 -1.04 0.00 0.27 0.00 0.00 0.00 175.76 175.17