#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 0.93 0.32 -5.12 0.00 -1.26 -5.13 121.76 111.50 1pfj s ALA 2 Ca 0.00 -0.42 -0.26 0.00 0.00 0.00 0.00 51.96 51.28 1pfj s ALA 2 Cb 0.00 -0.29 -0.10 0.00 0.00 0.00 0.00 23.12 22.73 1pfj s ALA 2 CO 0.00 0.19 0.94 -0.08 0.00 0.00 0.00 175.76 176.81 1pfj s THR 3 N -0.03 4.22 -0.29 0.00 -1.32 -1.26 -4.93 115.64 112.02 1pfj s THR 3 Ca 0.00 1.81 0.25 0.00 -1.21 0.00 0.00 61.69 62.54 1pfj s THR 3 Cb -0.07 -4.01 0.33 0.00 -1.51 0.00 0.00 72.50 67.24 1pfj s THR 3 CO 0.00 0.14 1.68 -1.28 -2.21 0.00 0.00 174.62 172.96 1pfj h SER 4 N 3.18 0.00 -2.73 8.08 0.87 -2.08 -3.45 113.55 117.43 1pfj h SER 4 Ca -0.47 0.00 -0.47 0.00 -1.23 0.00 0.00 61.79 59.63 1pfj h SER 4 Cb 1.19 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 63.17 1pfj h SER 4 CO 0.65 0.04 -0.16 -0.94 -0.53 0.00 0.00 176.83 175.89 1pfj s SER 5 N -6.12 6.10 0.98 6.23 1.04 -1.26 -5.06 113.70 115.60 1pfj s SER 5 Ca 0.05 0.35 -0.11 0.00 0.48 0.00 0.00 55.95 56.73 1pfj s SER 5 Cb 0.06 -1.80 0.18 0.00 0.10 0.00 0.00 66.02 64.56 1pfj s SER 5 CO 0.65 -0.46 1.10 -1.61 0.98 0.00 0.00 173.24 173.90 1pfj s GLU 6 N -4.40 0.56 -0.23 4.02 0.41 -1.26 -5.01 118.70 112.79 1pfj s GLU 6 Ca 0.43 1.18 0.02 0.00 -0.41 0.00 0.00 54.97 56.20 1pfj s GLU 6 Cb -0.10 -1.70 0.04 0.00 -1.78 0.00 0.00 34.13 30.59 1pfj s GLU 6 CO 0.37 -2.83 -0.13 -1.21 -0.49 0.00 0.00 175.26 170.97 1pfj s GLU 7 N -4.66 2.58 0.17 1.61 2.02 -1.26 -5.09 118.70 114.07 1pfj s GLU 7 Ca 0.66 -1.12 0.01 0.00 0.02 0.00 0.00 54.97 54.55 1pfj s GLU 7 Cb -0.22 -2.80 -0.04 0.00 0.10 0.00 0.00 34.13 31.17 1pfj s GLU 7 CO 0.60 -0.42 0.32 0.14 0.02 0.00 0.00 175.26 175.92 1pfj s VAL 8 N 1.20 5.28 -0.27 2.63 -7.23 -1.26 -3.09 120.40 117.66 1pfj s VAL 8 Ca -0.03 -0.57 -0.12 0.00 -1.81 0.00 0.00 61.98 59.46 1pfj s VAL 8 Cb -0.17 -3.74 -0.14 0.00 0.56 0.00 0.00 36.38 32.89 1pfj s VAL 8 CO -0.08 -0.13 -0.27 -0.11 -0.31 0.00 0.00 175.10 174.21 1pfj n LEU 9 N -0.60 2.16 -3.62 1.32 7.94 -0.82 -4.80 117.00 118.57 1pfj n LEU 9 Ca -0.06 0.25 -0.15 0.00 -1.11 0.00 0.00 56.01 54.94 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 0.49 0.63 0.36 -0.22 -1.11 0.00 0.00 177.39 177.53 1pfj s LEU 10 N -7.35 -0.50 -0.03 -1.96 2.96 -0.98 -5.01 118.68 105.82 1pfj s LEU 10 Ca -0.37 1.11 0.04 0.00 -0.22 0.00 0.00 54.13 54.70 1pfj s LEU 10 Cb 0.13 2.29 -0.00 0.00 0.50 0.00 0.00 46.19 49.11 1pfj s LEU 10 CO 0.53 -0.34 -0.16 -0.51 -1.32 0.00 0.00 176.35 174.55 1pfj s ILE 11 N -0.13 1.29 -0.35 6.68 2.07 -1.26 0.18 121.20 129.67 1pfj s ILE 11 Ca -0.04 -0.65 0.03 0.00 -1.41 0.00 0.00 60.65 58.59 1pfj s ILE 11 Cb -0.03 -1.10 0.10 0.00 0.13 0.00 0.00 42.46 41.56 1pfj s ILE 11 CO 0.03 0.37 0.06 0.68 -1.91 0.00 0.00 174.94 174.18 1pfj s VAL 12 N -0.04 2.39 0.51 4.00 -7.23 0.47 -4.93 120.40 115.56 1pfj s VAL 12 Ca -0.01 -2.31 0.32 0.00 -1.81 0.00 0.00 61.98 58.17 1pfj s VAL 12 Cb -0.10 -2.74 0.32 0.00 0.56 0.00 0.00 36.38 34.41 1pfj s VAL 12 CO 0.01 -0.60 1.96 0.07 -0.31 0.00 0.00 175.10 176.23 1pfj h LYS 13 N 7.66 0.00 -5.04 4.82 -0.00 -1.92 0.52 116.57 122.61 1pfj h LYS 13 Ca -0.05 0.00 -0.66 0.00 -0.00 0.00 0.00 60.65 59.93 1pfj h LYS 13 Cb 1.02 0.00 -0.31 0.00 -0.00 0.00 0.00 32.23 32.94 1pfj h LYS 13 CO 0.54 0.00 -0.79 0.21 -0.00 0.00 0.00 179.45 179.41 1pfj s LYS 14 N -3.97 3.19 -0.04 0.07 2.47 -1.26 -3.51 119.74 116.69 1pfj s LYS 14 Ca -0.04 -0.73 -0.16 0.00 -1.56 0.00 0.00 55.97 53.49 1pfj s LYS 14 Cb 0.09 -2.78 0.03 0.00 -1.46 0.00 0.00 37.83 33.71 1pfj s LYS 14 CO 0.29 -0.19 0.36 0.08 0.16 0.00 0.00 175.35 176.05 1pfj s VAL 15 N 1.34 0.04 -0.05 4.02 1.01 0.16 -4.70 120.40 122.22 1pfj s VAL 15 Ca 0.05 -0.35 0.05 0.00 0.00 0.00 0.00 61.98 61.72 1pfj s VAL 15 Cb -0.14 -0.64 -0.00 0.00 0.00 0.00 0.00 36.38 35.60 1pfj s VAL 15 CO -0.07 -0.19 -0.20 -0.60 0.00 0.00 0.00 175.10 174.03 1pfj s ARG 16 N -1.07 2.14 -0.03 2.72 6.06 0.72 0.16 118.95 129.66 1pfj s ARG 16 Ca -0.11 -0.72 -0.02 0.00 -2.50 0.00 0.00 55.73 52.38 1pfj s ARG 16 Cb -0.04 -1.82 0.02 0.00 0.06 0.00 0.00 34.95 33.17 1pfj s ARG 16 CO 0.04 0.28 0.07 1.14 -2.50 0.00 0.00 175.30 174.33 1pfj s GLN 17 N 0.02 0.04 0.52 5.12 -2.07 0.59 0.17 119.66 124.06 1pfj s GLN 17 Ca -0.05 0.18 0.14 0.00 -1.82 0.00 0.00 55.36 53.81 1pfj s GLN 17 Cb -0.13 -0.10 0.48 0.00 -1.09 0.00 0.00 33.01 32.18 1pfj s GLN 17 CO 0.03 -0.09 0.99 1.63 -1.32 0.00 0.00 175.29 176.53 1pfj n LYS 18 N 3.64 0.02 -0.06 9.60 5.02 -1.26 0.49 118.16 135.61 1pfj n LYS 18 Ca -0.20 0.83 -0.06 0.00 -2.02 0.00 0.00 58.31 56.86 1pfj n LYS 18 Cb 0.55 -2.13 -0.05 0.00 -0.02 0.00 0.00 35.03 33.38 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 -3.66 1.97 2.10 -1.94 -3.49 116.57 111.56 1pfj h LYS 19 Ca 0.26 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.85 1pfj h LYS 19 Cb 2.17 0.00 -0.10 0.00 -0.90 0.00 0.00 32.23 33.40 1pfj h LYS 19 CO -0.00 0.41 -0.14 -1.14 -2.00 0.00 0.00 179.45 176.58 1pfj s GLN 20 N -1.87 1.47 -0.17 0.07 -0.44 0.18 -5.13 119.66 113.77 1pfj s GLN 20 Ca -0.09 -1.20 -0.06 0.00 -2.50 0.00 0.00 55.36 51.51 1pfj s GLN 20 Cb -0.01 0.46 -0.03 0.00 -1.64 0.00 0.00 33.01 31.79 1pfj s GLN 20 CO 0.29 -0.60 0.02 -0.51 0.50 0.00 0.00 175.29 174.99 1pfj s ASP 21 N -3.00 5.26 0.19 6.67 1.01 -1.26 -0.30 116.67 125.25 1pfj s ASP 21 Ca 0.20 -0.01 -0.23 0.00 0.71 0.00 0.00 52.55 53.22 1pfj s ASP 21 Cb -0.00 -1.88 0.05 0.00 1.01 0.00 0.00 42.92 42.10 1pfj s ASP 21 CO 0.06 0.17 0.74 -0.83 0.21 0.00 0.00 175.17 175.52 1pfj s GLY 22 N 0.36 -0.31 0.05 0.21 0.00 0.43 -4.93 107.32 103.13 1pfj s GLY 22 Ca -0.00 0.14 -0.25 0.00 0.00 0.00 0.00 44.72 44.60 1pfj s GLY 22 CO 0.01 0.04 0.77 0.00 0.00 0.00 0.00 173.10 173.93 1pfj s ALA 23 N -3.69 3.37 -0.13 3.20 0.00 0.15 0.36 121.76 125.02 1pfj s ALA 23 Ca 0.08 0.29 -0.03 0.00 0.00 0.00 0.00 51.96 52.30 1pfj s ALA 23 Cb -0.03 -3.00 -0.03 0.00 0.00 0.00 0.00 23.12 20.05 1pfj s ALA 23 CO -0.02 0.07 -0.02 -0.51 0.00 0.00 0.00 175.76 175.28 1pfj s LEU 24 N -0.07 3.41 -0.07 0.00 1.43 0.18 0.40 118.68 123.96 1pfj s LEU 24 Ca 0.39 -0.01 0.04 0.00 -1.03 0.00 0.00 54.13 53.52 1pfj s LEU 24 Cb -0.21 -1.80 -0.02 0.00 0.03 0.00 0.00 46.19 44.20 1pfj s LEU 24 CO 0.23 0.26 -0.19 -0.31 0.23 0.00 0.00 176.35 176.57 1pfj s TYR 25 N -0.17 2.61 -0.15 0.29 2.02 0.18 0.18 117.35 122.30 1pfj s TYR 25 Ca 0.04 -0.55 -0.03 0.00 -0.37 0.00 0.00 57.07 56.16 1pfj s TYR 25 Cb -0.13 -1.67 -0.03 0.00 -0.40 0.00 0.00 41.96 39.74 1pfj s TYR 25 CO 0.02 -0.11 -0.05 -1.17 -1.57 0.00 0.00 175.55 172.68 1pfj s LEU 26 N -0.18 3.18 0.18 -1.29 0.20 0.47 0.13 118.68 121.35 1pfj s LEU 26 Ca -0.02 -0.15 0.10 0.00 0.69 0.00 0.00 54.13 54.75 1pfj s LEU 26 Cb -0.13 -1.76 -0.04 0.00 -0.43 0.00 0.00 46.19 43.83 1pfj s LEU 26 CO 0.03 0.17 -0.14 -0.32 -0.29 0.00 0.00 176.35 175.80 1pfj s MET 27 N 0.34 1.89 0.19 1.98 -2.45 0.36 -1.95 119.30 119.66 1pfj s MET 27 Ca -0.05 -1.32 -0.18 0.00 -1.25 0.00 0.00 55.69 52.89 1pfj s MET 27 Cb -0.14 -2.07 0.15 0.00 1.25 0.00 0.00 34.83 34.01 1pfj s MET 27 CO 0.03 0.43 1.36 0.00 1.05 0.00 0.00 175.02 177.90 1pfj n ALA 28 N 0.19 -0.21 -0.07 4.11 0.00 -1.18 -1.12 120.51 122.23 1pfj n ALA 28 Ca -0.12 0.85 0.08 0.00 0.00 0.00 0.00 53.44 54.26 1pfj n ALA 28 Cb 0.55 -0.33 0.20 0.00 0.00 0.00 0.00 19.45 19.87 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 -5.25 2.51 -3.66 0.00 2.13 -1.26 -4.94 120.64 110.16 1pfj n GLU 29 Ca 0.07 -2.17 -0.09 0.00 0.66 0.00 0.00 57.16 55.63 1pfj n GLU 29 Cb 0.32 -1.39 -0.02 0.00 0.27 0.00 0.00 31.44 30.62 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 -1.08 1.54 -0.20 5.31 1.70 -0.28 0.22 118.95 126.15 1pfj s ARG 30 Ca 0.32 -0.76 -0.04 0.00 -0.47 0.00 0.00 55.73 54.78 1pfj s ARG 30 Cb 0.17 0.59 -0.02 0.00 -0.57 0.00 0.00 34.95 35.13 1pfj s ARG 30 CO 0.23 -0.69 -0.02 0.42 -1.08 0.00 0.00 175.30 174.17 1pfj s ILE 31 N -3.84 3.72 0.24 4.99 -1.09 -0.47 0.14 121.20 124.89 1pfj s ILE 31 Ca 0.07 -0.39 0.08 0.00 -2.23 0.00 0.00 60.65 58.18 1pfj s ILE 31 Cb -0.03 -2.68 -0.04 0.00 -1.58 0.00 0.00 42.46 38.12 1pfj s ILE 31 CO -0.02 0.43 0.04 0.00 -1.23 0.00 0.00 174.94 174.16 1pfj s ALA 32 N 1.13 3.27 -0.00 9.38 0.00 0.35 -0.54 121.76 135.34 1pfj s ALA 32 Ca 0.02 -1.53 0.02 0.00 0.00 0.00 0.00 51.96 50.47 1pfj s ALA 32 Cb -0.14 -0.95 -0.01 0.00 0.00 0.00 0.00 23.12 22.02 1pfj s ALA 32 CO 0.01 0.31 -0.07 -0.46 0.00 0.00 0.00 175.76 175.54 1pfj s TRP 33 N -2.15 0.66 0.11 0.00 -0.00 -0.44 0.47 118.94 117.59 1pfj s TRP 33 Ca 0.31 -0.14 -0.15 0.00 -0.00 0.00 0.00 56.10 56.11 1pfj s TRP 33 Cb -0.07 -0.42 0.03 0.00 -0.00 0.00 0.00 33.47 33.00 1pfj s TRP 33 CO 0.21 -0.01 0.37 0.00 -0.00 0.00 0.00 176.95 177.52 1pfj s ALA 34 N -0.23 -0.85 0.00 5.86 0.00 0.16 0.33 121.76 127.03 1pfj s ALA 34 Ca 0.02 -0.09 0.00 0.00 0.00 0.00 0.00 51.96 51.89 1pfj s ALA 34 Cb -0.03 0.64 0.00 0.00 0.00 0.00 0.00 23.12 23.72 1pfj s ALA 34 CO -0.00 -0.61 0.00 -0.35 0.00 0.00 0.00 175.76 174.80 1pfj n PRO 35 N -0.14 3.68 -3.59 0.00 -0.04 -1.26 0.34 135.00 133.99 1pfj n PRO 35 Ca -0.16 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 62.92 1pfj n PRO 35 Cb 0.63 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 34.04 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 2.76 3.35 0.18 0.54 -1.05 -1.26 -4.79 118.70 118.42 1pfj s GLU 36 Ca 0.00 -3.18 -0.07 0.00 -0.15 0.00 0.00 54.97 51.57 1pfj s GLU 36 Cb 0.00 -4.03 0.03 0.00 -0.44 0.00 0.00 34.13 29.68 1pfj s GLU 36 CO 0.00 -1.25 0.37 0.41 0.95 0.00 0.00 175.26 175.73 1pfj n GLY 37 N 2.54 1.51 2.62 -3.83 0.00 -1.26 -5.00 105.19 101.76 1pfj n GLY 37 Ca 0.20 -1.12 -0.18 0.00 0.00 0.00 0.00 46.02 44.93 1pfj n GLY 37 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1pfj n LYS 38 N -0.25 1.73 -3.64 1.61 4.81 -1.26 -4.54 118.16 116.62 1pfj n LYS 38 Ca -0.04 -1.24 -0.08 0.00 -0.87 0.00 0.00 58.31 56.07 1pfj n LYS 38 Cb 0.27 -2.32 -0.07 0.00 0.02 0.00 0.00 35.03 32.93 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 3.49 -0.65 0.00 3.14 -1.08 -1.26 -5.05 116.67 115.25 1pfj s ASP 39 Ca 0.34 1.15 0.02 0.00 -0.52 0.00 0.00 52.55 53.54 1pfj s ASP 39 Cb 0.10 1.21 -0.00 0.00 -1.46 0.00 0.00 42.92 42.77 1pfj s ASP 39 CO -0.03 -0.19 0.31 0.54 0.52 0.00 0.00 175.17 176.32 1pfj n ARG 40 N 3.18 3.17 -3.52 4.34 3.00 -1.26 -4.53 116.66 121.03 1pfj n ARG 40 Ca -0.16 -0.29 -0.27 0.00 -0.01 0.00 0.00 57.85 57.12 1pfj n ARG 40 Cb 0.57 -0.80 -0.11 0.00 0.00 0.00 0.00 32.46 32.12 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 -0.75 1.64 0.36 -1.55 0.08 -1.26 -4.31 117.98 112.20 1pfj s PHE 41 Ca 0.02 -2.51 0.04 0.00 0.12 0.00 0.00 56.93 54.60 1pfj s PHE 41 Cb 0.02 -1.35 0.69 0.00 -0.57 0.00 0.00 43.02 41.81 1pfj s PHE 41 CO 0.06 -0.77 2.02 0.00 -0.10 0.00 0.00 175.22 176.43 1pfj h THR 42 N 4.64 1.15 -3.78 0.64 1.03 0.51 -3.45 112.91 113.65 1pfj h THR 42 Ca 0.21 -0.29 -0.12 0.00 -0.01 0.00 0.00 66.41 66.20 1pfj h THR 42 Cb 0.88 0.34 -0.09 0.00 -1.07 0.00 0.00 68.15 68.21 1pfj h THR 42 CO 0.44 0.15 -0.14 0.27 -0.01 0.00 0.00 175.52 176.23 1pfj s ILE 43 N -5.63 0.00 -0.30 0.00 -5.25 -0.33 -4.90 121.20 104.79 1pfj s ILE 43 Ca -0.09 -1.46 -0.11 0.00 -0.99 0.00 0.00 60.65 58.00 1pfj s ILE 43 Cb 0.17 -2.36 0.17 0.00 2.95 0.00 0.00 42.46 43.40 1pfj s ILE 43 CO 0.76 0.00 0.90 -0.44 -1.79 0.00 0.00 174.94 174.37 1pfj s SER 44 N -3.08 -0.75 -0.26 4.36 0.01 -1.24 -1.33 113.70 111.40 1pfj s SER 44 Ca 0.25 0.64 -0.06 0.00 1.31 0.00 0.00 55.95 58.09 1pfj s SER 44 Cb -0.00 1.70 -0.00 0.00 0.21 0.00 0.00 66.02 67.92 1pfj s SER 44 CO 0.12 -0.14 0.04 -1.00 0.41 0.00 0.00 173.24 172.67 1pfj s HIS 45 N 2.79 3.09 -0.15 2.43 0.09 0.30 -4.85 115.29 118.98 1pfj s HIS 45 Ca 0.04 -0.88 -0.29 0.00 -0.00 0.00 0.00 55.06 53.92 1pfj s HIS 45 Cb -0.10 -2.20 -0.05 0.00 -0.00 0.00 0.00 32.58 30.22 1pfj s HIS 45 CO -0.16 -0.53 1.85 -1.64 -0.00 0.00 0.00 174.74 174.27 1pfj s MET 46 N 1.51 3.73 0.31 1.40 -1.94 -1.26 -1.37 119.30 121.67 1pfj s MET 46 Ca 0.04 2.00 0.05 0.00 -1.71 0.00 0.00 55.69 56.07 1pfj s MET 46 Cb -0.16 -4.15 0.82 0.00 2.01 0.00 0.00 34.83 33.35 1pfj s MET 46 CO 0.01 -1.40 1.49 0.66 -0.01 0.00 0.00 175.02 175.77 1pfj n TYR 47 N 8.99 0.69 -0.05 -0.03 4.01 0.60 0.28 117.16 131.65 1pfj n TYR 47 Ca 0.22 1.14 -0.09 0.00 -0.16 0.00 0.00 57.90 59.02 1pfj n TYR 47 Cb 0.44 -1.27 0.07 0.00 -0.31 0.00 0.00 39.34 38.28 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 1.90 0.80 0.00 -0.72 0.00 -1.89 -1.24 119.26 118.12 1pfj h ALA 48 Ca 0.62 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1pfj h ALA 48 Cb 1.35 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1pfj h ALA 48 CO -0.87 0.65 0.00 -0.25 0.00 0.00 0.00 179.25 178.78 1pfj n ASP 49 N -4.05 0.00 -3.91 0.00 9.92 0.81 -4.56 116.55 114.76 1pfj n ASP 49 Ca -0.01 0.06 -0.14 0.00 -0.53 0.00 0.00 54.79 54.16 1pfj n ASP 49 Cb 0.50 -0.23 -0.14 0.00 -0.64 0.00 0.00 41.12 40.60 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 -2.47 0.21 -0.26 0.53 -4.36 0.95 -3.96 121.20 111.85 1pfj s ILE 50 Ca 0.11 -0.10 -0.03 0.00 -0.26 0.00 0.00 60.65 60.37 1pfj s ILE 50 Cb 0.07 -0.20 0.11 0.00 1.25 0.00 0.00 42.46 43.69 1pfj s ILE 50 CO 0.15 0.07 0.21 -0.75 0.24 0.00 0.00 174.94 174.86 1pfj s LYS 51 N 0.04 0.23 0.00 0.37 2.36 0.35 -4.71 119.74 118.38 1pfj s LYS 51 Ca 0.00 -0.15 0.00 0.00 -2.55 0.00 0.00 55.97 53.27 1pfj s LYS 51 Cb -0.02 -1.05 0.00 0.00 -1.05 0.00 0.00 37.83 35.71 1pfj s LYS 51 CO -0.00 -0.89 0.00 0.00 1.55 0.00 0.00 175.35 176.00 1pfj s GLN 53 N 0.00 0.04 -0.17 0.00 -0.21 -1.26 -1.54 119.66 116.52 1pfj s GLN 53 Ca 0.00 0.55 -0.02 0.00 0.02 0.00 0.00 55.36 55.92 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 -0.29 -0.00 0.21 -2.12 0.00 0.00 175.29 173.09 1pfj s LYS 54 N 2.19 0.93 -0.29 2.91 2.20 0.38 -5.01 119.74 123.05 1pfj s LYS 54 Ca 0.02 -0.40 0.00 0.00 -0.36 0.00 0.00 55.97 55.23 1pfj s LYS 54 Cb -0.12 -1.93 0.09 0.00 -1.51 0.00 0.00 37.83 34.36 1pfj s LYS 54 CO -0.06 -0.53 0.06 0.42 -0.36 0.00 0.00 175.35 174.89 1pfj s ILE 55 N 1.78 1.22 -0.21 5.43 -1.09 -1.26 -1.61 121.20 125.46 1pfj s ILE 55 Ca 0.00 -1.49 0.11 0.00 -2.23 0.00 0.00 60.65 57.05 1pfj s ILE 55 Cb -0.16 -1.83 0.42 0.00 -1.58 0.00 0.00 42.46 39.30 1pfj s ILE 55 CO -0.07 -0.54 1.23 -1.20 -1.23 0.00 0.00 174.94 173.13 1pfj n SER 56 N 4.72 1.82 0.00 3.58 7.64 -1.26 -4.68 113.62 125.44 1pfj n SER 56 Ca -0.03 -3.84 0.07 0.00 1.01 0.00 0.00 58.87 56.08 1pfj n SER 56 Cb 0.43 -0.53 0.37 0.00 -1.01 0.00 0.00 64.21 63.46 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 -1.14 0.24 0.06 1.43 -0.02 -1.26 -1.58 135.00 132.73 1pfj n PRO 57 Ca 0.20 0.13 0.07 0.00 -2.02 0.00 0.00 63.50 61.88 1pfj n PRO 57 Cb 0.71 -1.50 0.33 0.00 -0.02 0.00 0.00 33.50 33.02 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 -1.24 0.07 -0.44 -0.52 2.13 -1.26 -2.20 120.64 117.17 1pfj n GLU 58 Ca 0.07 0.44 0.00 0.00 0.66 0.00 0.00 57.16 58.33 1pfj n GLU 58 Cb 0.10 -1.68 0.00 0.00 0.27 0.00 0.00 31.44 30.13 1pfj n GLU 58 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1pfj n GLY 59 N -0.66 0.13 0.00 8.31 0.00 -0.62 -5.04 105.19 107.31 1pfj n GLY 59 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 0.00 0.00 -0.00 1.61 4.76 -0.94 -5.01 118.16 118.59 1pfj n LYS 60 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1pfj n LYS 60 Cb 0.67 0.00 -0.00 0.00 -1.84 0.00 0.00 35.03 33.86 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 2.00 -0.60 7.82 0.00 -1.26 -5.03 120.51 120.44 1pfj n ALA 61 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1pfj n ALA 61 Cb 0.00 0.11 0.00 0.00 0.00 0.00 0.00 19.45 19.56 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 -1.75 0.00 -2.85 0.00 2.85 -1.26 -5.09 118.16 110.05 1pfj n LYS 62 Ca -0.00 0.00 -0.02 0.00 -1.05 0.00 0.00 58.31 57.23 1pfj n LYS 62 Cb 0.25 0.00 0.01 0.00 -0.65 0.00 0.00 35.03 34.63 1pfj n LYS 62 CO 0.00 0.00 0.00 -1.50 -0.05 0.00 0.00 177.40 175.85 1pfj s ILE 63 N -0.40 -0.86 -0.10 0.58 2.07 -1.26 -4.71 121.20 116.52 1pfj s ILE 63 Ca 0.00 -0.63 0.02 0.00 -1.41 0.00 0.00 60.65 58.63 1pfj s ILE 63 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 42.46 42.57 1pfj s ILE 63 CO 0.00 0.00 -0.14 0.00 -1.91 0.00 0.00 174.94 172.89 1pfj s GLN 64 N 1.16 3.03 0.35 3.50 -2.07 -1.26 -2.91 119.66 121.46 1pfj s GLN 64 Ca 0.25 -0.70 0.08 0.00 -1.82 0.00 0.00 55.36 53.17 1pfj s GLN 64 Cb 0.01 -2.51 -0.07 0.00 -1.09 0.00 0.00 33.01 29.35 1pfj s GLN 64 CO -0.07 0.37 -0.05 -0.48 -1.32 0.00 0.00 175.29 173.74 1pfj s LEU 65 N -0.06 2.71 -0.05 2.60 -0.00 0.65 -4.12 118.68 120.42 1pfj s LEU 65 Ca -0.03 -1.26 -0.02 0.00 -0.00 0.00 0.00 54.13 52.83 1pfj s LEU 65 Cb -0.14 -0.88 0.04 0.00 -0.00 0.00 0.00 46.19 45.20 1pfj s LEU 65 CO 0.04 -0.32 0.10 -1.58 -0.00 0.00 0.00 176.35 174.59 1pfj s GLN 66 N -3.67 0.03 0.06 1.48 0.74 -0.63 -1.80 119.66 115.86 1pfj s GLN 66 Ca 0.33 0.30 0.04 0.00 0.05 0.00 0.00 55.36 56.08 1pfj s GLN 66 Cb 0.05 -0.22 -0.03 0.00 1.10 0.00 0.00 33.01 33.91 1pfj s GLN 66 CO 0.16 -0.18 -0.11 -1.17 -0.55 0.00 0.00 175.29 173.44 1pfj s LEU 67 N 1.21 2.26 0.20 3.68 0.20 -0.30 -0.47 118.68 125.46 1pfj s LEU 67 Ca -0.08 -0.57 0.08 0.00 0.69 0.00 0.00 54.13 54.25 1pfj s LEU 67 Cb -0.12 -0.35 -0.05 0.00 -0.43 0.00 0.00 46.19 45.25 1pfj s LEU 67 CO -0.05 -0.13 -0.16 -0.69 -0.29 0.00 0.00 176.35 175.03 1pfj s VAL 68 N -1.29 1.82 0.07 1.68 1.01 -0.59 0.23 120.40 123.33 1pfj s VAL 68 Ca -0.06 -2.15 -0.11 0.00 0.00 0.00 0.00 61.98 59.66 1pfj s VAL 68 Cb -0.10 -2.01 -0.06 0.00 0.00 0.00 0.00 36.38 34.21 1pfj s VAL 68 CO 0.01 -0.51 0.42 -0.76 0.00 0.00 0.00 175.10 174.27 1pfj s LEU 69 N -3.16 4.37 0.53 3.92 1.43 0.34 0.13 118.68 126.24 1pfj s LEU 69 Ca 0.21 0.86 0.40 0.00 -1.03 0.00 0.00 54.13 54.57 1pfj s LEU 69 Cb -0.02 -2.94 1.58 0.00 0.03 0.00 0.00 46.19 44.83 1pfj s LEU 69 CO 0.07 0.19 1.72 1.12 0.23 0.00 0.00 176.35 179.68 1pfj h HIS 70 N 3.88 0.08 0.00 0.29 2.07 -1.78 -3.34 115.15 116.34 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 -0.02 0.00 0.00 2.57 0.00 0.00 27.41 31.16 1pfj h HIS 70 CO 0.67 -0.01 0.00 0.00 -3.07 0.00 0.00 177.93 175.52 1pfj n ALA 71 N -2.78 0.00 -2.49 6.11 0.00 -1.26 -4.93 120.51 115.15 1pfj n ALA 71 Ca 0.32 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.46 1pfj n ALA 71 Cb 1.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.93 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 4.02 5.84 3.02 0.00 0.00 -1.25 -4.98 105.19 111.84 1pfj n GLY 72 Ca 0.00 -2.70 -0.24 0.00 0.00 0.00 0.00 46.02 43.07 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 -2.88 1.74 0.23 1.61 1.01 -1.26 -4.97 116.67 112.15 1pfj s ASP 73 Ca 0.48 -0.29 0.07 0.00 0.71 0.00 0.00 52.55 53.52 1pfj s ASP 73 Cb 0.36 -0.81 -0.04 0.00 1.01 0.00 0.00 42.92 43.45 1pfj s ASP 73 CO -0.22 0.03 0.12 -0.89 0.21 0.00 0.00 175.17 174.42 1pfj s THR 74 N 0.69 4.14 -0.18 -1.27 2.01 -1.26 0.12 115.64 119.90 1pfj s THR 74 Ca -0.14 -1.46 0.00 0.00 0.31 0.00 0.00 61.69 60.40 1pfj s THR 74 Cb -0.16 -3.19 0.04 0.00 0.01 0.00 0.00 72.50 69.20 1pfj s THR 74 CO 0.03 -0.28 -0.10 -0.89 -0.69 0.00 0.00 174.62 172.70 1pfj s THR 75 N -2.05 1.50 -0.14 -0.82 2.01 0.63 -4.93 115.64 111.83 1pfj s THR 75 Ca 0.31 -0.84 -0.03 0.00 0.31 0.00 0.00 61.69 61.44 1pfj s THR 75 Cb -0.08 -1.57 -0.03 0.00 0.01 0.00 0.00 72.50 70.84 1pfj s THR 75 CO 0.23 0.21 -0.06 0.20 -0.69 0.00 0.00 174.62 174.51 1pfj s ASN 76 N 1.47 4.64 0.02 3.53 0.01 -1.26 -1.15 114.94 122.21 1pfj s ASN 76 Ca 0.00 -0.16 -0.05 0.00 -0.71 0.00 0.00 52.86 51.94 1pfj s ASN 76 Cb -0.15 -1.72 -0.01 0.00 0.41 0.00 0.00 41.25 39.78 1pfj s ASN 76 CO -0.09 0.18 0.09 -0.36 -1.51 0.00 0.00 177.10 175.41 1pfj s PHE 77 N 0.28 0.17 0.15 2.20 0.08 -0.74 -4.70 117.98 115.41 1pfj s PHE 77 Ca -0.05 -0.40 -0.12 0.00 0.12 0.00 0.00 56.93 56.48 1pfj s PHE 77 Cb -0.14 -0.12 0.01 0.00 -0.57 0.00 0.00 43.02 42.19 1pfj s PHE 77 CO 0.03 -0.31 0.34 -1.58 -0.10 0.00 0.00 175.22 173.60 1pfj s HIS 78 N -2.07 0.12 -0.00 0.36 5.65 0.45 -0.25 115.29 119.54 1pfj s HIS 78 Ca -0.10 -0.48 0.03 0.00 0.25 0.00 0.00 55.06 54.76 1pfj s HIS 78 Cb -0.04 0.10 -0.01 0.00 -1.18 0.00 0.00 32.58 31.45 1pfj s HIS 78 CO -0.02 -0.72 -0.09 -0.06 -0.65 0.00 0.00 174.74 173.20 1pfj s PHE 79 N -3.89 0.83 0.00 3.88 0.40 -1.15 0.26 117.98 118.31 1pfj s PHE 79 Ca 0.10 -0.17 0.00 0.00 -0.60 0.00 0.00 56.93 56.26 1pfj s PHE 79 Cb 0.02 -0.53 0.00 0.00 0.51 0.00 0.00 43.02 43.02 1pfj s PHE 79 CO -0.05 -0.01 0.00 0.45 0.70 0.00 0.00 175.22 176.30 1pfj n SER 80 N 2.79 0.00 -4.37 1.36 2.88 -1.26 -4.36 113.62 110.66 1pfj n SER 80 Ca -0.14 0.00 -0.52 0.00 -1.33 0.00 0.00 58.87 56.89 1pfj n SER 80 Cb 0.57 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.91 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 0.00 0.96 -0.31 -3.46 3.02 -1.26 -4.23 115.26 109.98 1pfj n ASN 81 Ca 0.00 0.42 0.22 0.00 -0.03 0.00 0.00 54.58 55.19 1pfj n ASN 81 Cb 0.00 -1.01 0.41 0.00 -0.61 0.00 0.00 39.78 38.57 1pfj n ASN 81 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 1pfj n GLU 82 N 8.00 -0.07 -0.28 3.52 0.28 -1.26 0.29 120.64 131.12 1pfj n GLU 82 Ca 0.55 1.34 0.09 0.00 -0.16 0.00 0.00 57.16 58.98 1pfj n GLU 82 Cb 0.06 -2.27 0.33 0.00 1.43 0.00 0.00 31.44 30.99 1pfj n GLU 82 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1pfj h SER 83 N 0.00 0.74 -0.35 -1.84 0.87 -2.05 -2.95 113.55 107.96 1pfj h SER 83 Ca 0.68 0.03 -0.27 0.00 -1.23 0.00 0.00 61.79 61.01 1pfj h SER 83 Cb 1.63 -0.12 -0.36 0.00 -0.44 0.00 0.00 62.40 63.11 1pfj h SER 83 CO -0.80 0.41 -0.98 1.07 -0.53 0.00 0.00 176.83 176.00 1pfj n THR 84 N -4.55 1.33 -0.25 2.23 5.66 0.76 -4.88 114.28 114.58 1pfj n THR 84 Ca 0.16 -2.78 -0.01 0.00 -3.05 0.00 0.00 64.05 58.38 1pfj n THR 84 Cb 0.38 0.59 0.22 0.00 -1.55 0.00 0.00 70.33 69.97 1pfj n THR 84 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1pfj n ALA 85 N -0.42 3.66 -2.00 1.79 0.00 0.83 -4.46 120.51 119.91 1pfj n ALA 85 Ca 0.15 -1.37 0.00 0.00 0.00 0.00 0.00 53.44 52.23 1pfj n ALA 85 Cb 0.90 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 19.22 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 0.15 0.00 -0.14 0.00 0.31 -1.26 -4.72 118.33 112.68 1pfj n VAL 86 Ca 0.23 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.52 1pfj n VAL 86 Cb 0.95 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.85 1pfj n VAL 86 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1pfj n LYS 87 N 0.00 -0.14 -0.28 5.55 4.76 -1.26 0.18 118.16 126.97 1pfj n LYS 87 Ca 0.00 0.91 -0.07 0.00 -2.87 0.00 0.00 58.31 56.28 1pfj n LYS 87 Cb 0.00 -1.35 -0.07 0.00 -1.84 0.00 0.00 35.03 31.77 1pfj n LYS 87 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 1pfj n GLU 88 N -3.71 -0.29 -0.07 1.97 0.00 -1.26 0.13 120.64 117.41 1pfj n GLU 88 Ca 0.01 1.18 -0.10 0.00 0.00 0.00 0.00 57.16 58.25 1pfj n GLU 88 Cb 0.09 -1.74 -0.03 0.00 0.00 0.00 0.00 31.44 29.75 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 0.34 0.00 3.44 2.47 -1.05 0.44 114.38 120.02 1pfj h ARG 89 Ca 0.11 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.79 1pfj h ARG 89 Cb 0.27 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 28.52 1pfj h ARG 89 CO -0.62 0.28 0.32 -0.44 0.56 0.00 0.00 179.97 180.06 1pfj h ASP 90 N 0.31 0.00 0.16 7.04 3.32 0.91 2.11 116.42 130.28 1pfj h ASP 90 Ca 0.09 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.79 1pfj h ASP 90 Cb 0.02 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.51 1pfj h ASP 90 CO -0.02 0.00 -2.16 0.00 -1.72 0.00 0.00 179.24 175.34 1pfj n ALA 91 N -1.67 1.47 0.19 3.45 0.00 0.36 -2.21 120.51 122.11 1pfj n ALA 91 Ca -0.01 -1.12 -0.13 0.00 0.00 0.00 0.00 53.44 52.18 1pfj n ALA 91 Cb 0.35 -0.41 -0.08 0.00 0.00 0.00 0.00 19.45 19.31 1pfj n ALA 91 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1pfj h VAL 92 N 0.00 0.56 -0.26 0.00 2.07 0.58 -1.45 116.25 117.75 1pfj h VAL 92 Ca -0.46 -0.52 0.06 0.00 0.82 0.00 0.00 66.70 66.60 1pfj h VAL 92 Cb 2.15 0.79 -0.06 0.00 -1.52 0.00 0.00 31.29 32.65 1pfj h VAL 92 CO 0.04 0.09 -0.14 0.50 0.02 0.00 0.00 177.57 178.08 1pfj h LYS 93 N -0.84 -0.10 -0.05 1.57 3.64 0.96 -1.64 116.57 120.11 1pfj h LYS 93 Ca -0.05 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1pfj h LYS 93 Cb 0.54 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.38 1pfj h LYS 93 CO 0.09 -0.07 -0.03 -0.25 -2.27 0.00 0.00 179.45 176.92 1pfj n ASP 94 N -5.30 -0.05 -0.33 4.20 8.00 -0.94 0.67 116.55 122.80 1pfj n ASP 94 Ca -0.01 0.96 0.02 0.00 0.71 0.00 0.00 54.79 56.48 1pfj n ASP 94 Cb 0.22 -0.45 0.09 0.00 -0.02 0.00 0.00 41.12 40.96 1pfj n ASP 94 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1pfj h LEU 95 N 0.00 -1.03 -0.40 0.64 3.38 -0.61 -0.14 115.31 117.15 1pfj h LEU 95 Ca 0.01 0.28 0.04 0.00 0.09 0.00 0.00 57.88 58.29 1pfj h LEU 95 Cb 0.02 0.62 -0.05 0.00 0.09 0.00 0.00 40.66 41.34 1pfj h LEU 95 CO -0.04 -0.30 -0.24 0.18 0.09 0.00 0.00 178.44 178.13 1pfj n LEU 96 N -5.54 -0.43 0.00 1.67 4.77 0.21 0.31 117.00 117.99 1pfj n LEU 96 Ca 0.12 1.30 0.06 0.00 -0.03 0.00 0.00 56.01 57.46 1pfj n LEU 96 Cb 0.44 -0.38 0.33 0.00 -2.33 0.00 0.00 43.42 41.47 1pfj n LEU 96 CO -0.09 -0.88 0.60 0.00 -1.33 0.00 0.00 177.39 175.70 1pfj n GLN 97 N -3.91 0.28 -0.07 3.23 3.00 -0.23 -0.65 117.38 119.04 1pfj n GLN 97 Ca 0.01 0.08 -0.15 0.00 -0.01 0.00 0.00 57.00 56.93 1pfj n GLN 97 Cb 0.11 -1.50 -0.14 0.00 0.00 0.00 0.00 30.24 28.71 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 -1.13 0.68 -0.01 -1.09 0.00 0.90 -4.34 117.38 112.39 1pfj n GLN 98 Ca 0.07 0.16 -0.07 0.00 -0.00 0.00 0.00 57.00 57.16 1pfj n GLN 98 Cb 0.06 -1.61 -0.13 0.00 0.00 0.00 0.00 30.24 28.56 1pfj n GLN 98 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1pfj n LEU 99 N -3.12 0.88 -0.32 1.69 4.32 0.27 -3.96 117.00 116.76 1pfj n LEU 99 Ca -0.34 0.42 0.23 0.00 -0.02 0.00 0.00 56.01 56.30 1pfj n LEU 99 Cb 1.06 0.16 0.45 0.00 -1.62 0.00 0.00 43.42 43.47 1pfj n LEU 99 CO 0.38 0.36 1.03 0.25 -1.22 0.00 0.00 177.39 178.19 1pfj h LEU 100 N 0.00 0.25 -1.21 2.23 6.46 -1.07 2.86 115.31 124.83 1pfj h LEU 100 Ca -0.27 0.22 -0.03 0.00 -0.12 0.00 0.00 57.88 57.69 1pfj h LEU 100 Cb 1.96 0.24 -0.03 0.00 -0.73 0.00 0.00 40.66 42.10 1pfj h LEU 100 CO 0.08 -0.24 0.24 -0.65 -0.62 0.00 0.00 178.44 177.24 1pfj h PRO 101 N 0.18 0.79 -0.84 5.25 0.11 -1.77 0.14 132.00 135.86 1pfj h PRO 101 Ca 0.71 -0.11 0.18 0.00 0.11 0.00 0.00 66.00 66.89 1pfj h PRO 101 Cb 1.66 -0.15 -0.11 0.00 0.11 0.00 0.00 31.00 32.52 1pfj h PRO 101 CO -0.70 0.64 0.36 -0.22 -0.21 0.00 0.00 178.00 177.87 1pfj h LYS 102 N 0.79 0.44 -0.02 1.05 3.64 0.49 -1.70 116.57 121.27 1pfj h LYS 102 Ca 0.19 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1pfj h LYS 102 Cb 0.12 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1pfj h LYS 102 CO -0.02 0.29 -0.03 1.97 -2.27 0.00 0.00 179.45 179.39 1pfj n PHE 103 N -5.00 0.00 -0.42 1.91 -1.74 -1.05 -4.27 117.46 106.89 1pfj n PHE 103 Ca 0.18 0.00 0.06 0.00 -0.56 0.00 0.00 57.45 57.13 1pfj n PHE 103 Cb 0.53 0.00 0.31 0.00 1.52 0.00 0.00 39.48 41.84 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 0.72 3.89 0.00 3.97 4.01 0.01 -4.62 118.16 126.14 1pfj n LYS 104 Ca 0.08 -2.43 0.00 0.00 -0.51 0.00 0.00 58.31 55.45 1pfj n LYS 104 Cb 0.36 -2.04 0.00 0.00 -0.51 0.00 0.00 35.03 32.84 1pfj n LYS 104 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1pfj n ARG 105 N 0.57 0.00 -4.37 1.97 1.74 -1.13 -4.83 116.66 110.60 1pfj n ARG 105 Ca 0.22 0.14 -0.21 0.00 -0.77 0.00 0.00 57.85 57.22 1pfj n ARG 105 Cb 0.94 -0.93 -0.11 0.00 -1.02 0.00 0.00 32.46 31.35 1pfj n ARG 105 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 1pfj s LYS 106 N -0.86 1.40 0.92 5.56 -2.85 -1.26 -5.14 119.74 117.51 1pfj s LYS 106 Ca 0.00 -1.56 -0.12 0.00 -1.00 0.00 0.00 55.97 53.29 1pfj s LYS 106 Cb 0.00 -1.39 0.20 0.00 -2.06 0.00 0.00 37.83 34.58 1pfj s LYS 106 CO 0.00 0.26 1.25 0.00 0.10 0.00 0.00 175.35 176.96 1pfj s ALA 107 N -2.45 2.65 0.00 0.59 0.00 -1.26 -5.12 121.76 116.17 1pfj s ALA 107 Ca 0.22 -1.48 0.00 0.00 0.00 0.00 0.00 51.96 50.69 1pfj s ALA 107 Cb -0.04 -2.49 0.00 0.00 0.00 0.00 0.00 23.12 20.59 1pfj s ALA 107 CO 0.09 -2.27 0.00 0.27 0.00 0.00 0.00 175.76 173.85