#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fnj s ILE 3 N 0.00 2.68 0.08 1.12 -1.09 -1.26 -1.68 121.20 121.04 1fnj s ILE 3 Ca 0.00 -0.81 0.05 0.00 -2.23 0.00 0.00 60.65 57.66 1fnj s ILE 3 Cb 0.00 -2.07 -0.03 0.00 -1.58 0.00 0.00 42.46 38.78 1fnj s ILE 3 CO 0.00 0.55 -0.13 -0.13 -1.23 0.00 0.00 174.94 174.00 1fnj s ARG 4 N 0.08 0.83 -0.02 2.79 1.81 0.69 -4.97 118.95 120.16 1fnj s ARG 4 Ca -0.08 -1.00 -0.11 0.00 -1.72 0.00 0.00 55.73 52.82 1fnj s ARG 4 Cb -0.15 -0.78 -0.05 0.00 -0.45 0.00 0.00 34.95 33.52 1fnj s ARG 4 CO 0.05 0.16 0.32 0.20 -0.68 0.00 0.00 175.30 175.35 1fnj s GLY 5 N -1.90 2.35 -0.13 -3.53 0.00 -1.26 -0.70 107.32 102.15 1fnj s GLY 5 Ca -0.00 -0.40 0.02 0.00 0.00 0.00 0.00 44.72 44.35 1fnj s GLY 5 CO 0.02 -0.10 -0.20 -0.42 0.00 0.00 0.00 173.10 172.40 1fnj s ILE 6 N -1.13 1.90 0.14 0.90 1.01 0.20 -4.96 121.20 119.26 1fnj s ILE 6 Ca 0.23 -0.89 0.03 0.00 0.00 0.00 0.00 60.65 60.02 1fnj s ILE 6 Cb -0.15 -1.69 -0.04 0.00 0.01 0.00 0.00 42.46 40.60 1fnj s ILE 6 CO 0.12 0.52 0.25 -0.60 0.00 0.00 0.00 174.94 175.23 1fnj s ARG 7 N 0.82 3.35 -0.00 2.79 3.52 -1.26 -0.78 118.95 127.39 1fnj s ARG 7 Ca -0.08 -0.63 -0.20 0.00 -0.13 0.00 0.00 55.73 54.69 1fnj s ARG 7 Cb -0.16 -2.92 0.04 0.00 -1.56 0.00 0.00 34.95 30.36 1fnj s ARG 7 CO -0.01 0.52 0.44 0.20 -0.81 0.00 0.00 175.30 175.65 1fnj s GLY 8 N -3.14 -0.31 -0.04 8.12 0.00 -0.85 -1.36 107.32 109.75 1fnj s GLY 8 Ca 0.34 0.58 -0.20 0.00 0.00 0.00 0.00 44.72 45.44 1fnj s GLY 8 CO 0.28 0.32 0.44 0.00 0.00 0.00 0.00 173.10 174.13 1fnj s ALA 9 N -1.68 -1.12 0.35 3.20 0.00 0.93 -0.55 121.76 122.89 1fnj s ALA 9 Ca -0.10 0.74 -0.14 0.00 0.00 0.00 0.00 51.96 52.46 1fnj s ALA 9 Cb -0.02 -0.05 0.03 0.00 0.00 0.00 0.00 23.12 23.08 1fnj s ALA 9 CO 0.04 -0.29 0.68 -0.08 0.00 0.00 0.00 175.76 176.11 1fnj s THR 10 N -1.09 0.00 0.05 0.00 -1.32 -0.50 -0.79 115.64 111.98 1fnj s THR 10 Ca -0.11 -1.16 -0.01 0.00 -1.21 0.00 0.00 61.69 59.20 1fnj s THR 10 Cb -0.03 -2.62 -0.04 0.00 -1.51 0.00 0.00 72.50 68.29 1fnj s THR 10 CO 0.06 0.00 -0.03 0.42 -2.21 0.00 0.00 174.62 172.85 1fnj s THR 11 N -2.89 0.22 0.15 5.08 -4.23 -1.26 -1.90 115.64 110.82 1fnj s THR 11 Ca 0.18 -1.81 0.08 0.00 -1.18 0.00 0.00 61.69 58.96 1fnj s THR 11 Cb -0.04 -1.52 -0.04 0.00 1.34 0.00 0.00 72.50 72.25 1fnj s THR 11 CO 0.12 -1.00 -0.17 0.68 -0.54 0.00 0.00 174.62 173.72 1fnj s VAL 12 N -3.91 1.66 -0.04 2.29 -7.23 -0.63 -4.81 120.40 107.74 1fnj s VAL 12 Ca 0.07 -1.84 -0.18 0.00 -1.81 0.00 0.00 61.98 58.21 1fnj s VAL 12 Cb 0.08 -1.74 -0.32 0.00 0.56 0.00 0.00 36.38 34.96 1fnj s VAL 12 CO -0.10 -0.34 0.84 -0.33 -0.31 0.00 0.00 175.10 174.87 1fnj h GLU 13 N 3.36 0.36 -5.53 4.82 4.39 -1.96 -3.45 114.58 116.57 1fnj h GLU 13 Ca -0.42 -0.62 -0.44 0.00 0.34 0.00 0.00 59.36 58.22 1fnj h GLU 13 Cb 1.20 0.23 -0.16 0.00 -0.10 0.00 0.00 28.75 29.92 1fnj h GLU 13 CO 0.50 1.30 -0.75 1.03 -1.16 0.00 0.00 179.01 179.93 1fnj s ARG 14 N -2.49 1.18 -1.28 2.33 0.52 -1.26 -5.07 118.95 112.87 1fnj s ARG 14 Ca -0.14 -1.41 -0.15 0.00 -0.52 0.00 0.00 55.73 53.52 1fnj s ARG 14 Cb 0.03 -1.03 0.12 0.00 0.52 0.00 0.00 34.95 34.59 1fnj s ARG 14 CO 0.85 0.18 1.70 -3.47 0.02 0.00 0.00 175.30 174.59 1fnj n ASP 15 N 0.10 4.95 -4.10 0.23 2.03 -1.26 -4.71 116.55 113.79 1fnj n ASP 15 Ca -0.12 -2.96 -0.16 0.00 0.52 0.00 0.00 54.79 52.07 1fnj n ASP 15 Cb 0.58 -1.63 -0.12 0.00 -0.72 0.00 0.00 41.12 39.23 1fnj n ASP 15 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1fnj s THR 16 N 2.50 0.79 0.20 5.18 -4.23 -1.26 -4.60 115.64 114.22 1fnj s THR 16 Ca 0.47 -1.06 -0.10 0.00 -1.18 0.00 0.00 61.69 59.81 1fnj s THR 16 Cb 0.03 -0.79 0.13 0.00 1.34 0.00 0.00 72.50 73.21 1fnj s THR 16 CO 0.02 -0.23 1.78 -0.08 -0.54 0.00 0.00 174.62 175.57 1fnj h GLU 17 N 4.63 0.52 0.06 3.99 4.81 -1.92 -1.95 114.58 124.73 1fnj h GLU 17 Ca -0.37 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 58.85 1fnj h GLU 17 Cb 1.19 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.42 1fnj h GLU 17 CO 0.42 0.35 -0.21 1.49 -0.73 0.00 0.00 179.01 180.32 1fnj h GLU 18 N 0.54 -0.36 -0.28 1.92 4.81 -1.97 -1.27 114.58 117.97 1fnj h GLU 18 Ca 0.28 0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.42 1fnj h GLU 18 Cb 0.24 0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.70 1fnj h GLU 18 CO -0.22 -0.24 -0.28 1.49 -0.73 0.00 0.00 179.01 179.03 1fnj h GLU 19 N -0.37 0.68 -0.28 1.92 4.81 -1.87 -1.45 114.58 118.02 1fnj h GLU 19 Ca 0.04 -0.36 0.03 0.00 -0.13 0.00 0.00 59.36 58.94 1fnj h GLU 19 Cb 0.42 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.79 1fnj h GLU 19 CO -0.16 0.97 0.11 0.82 -0.73 0.00 0.00 179.01 180.03 1fnj h ILE 20 N 0.41 0.95 -0.34 2.32 2.04 -1.29 -0.20 117.51 121.40 1fnj h ILE 20 Ca 0.04 -0.09 -0.12 0.00 1.00 0.00 0.00 64.86 65.70 1fnj h ILE 20 Cb 0.85 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 1fnj h ILE 20 CO 0.07 0.05 -0.28 -0.07 0.00 0.00 0.00 178.15 177.92 1fnj h LEU 21 N 0.25 0.72 0.05 1.44 3.38 -1.25 -0.73 115.31 119.17 1fnj h LEU 21 Ca 0.12 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 1fnj h LEU 21 Cb 0.07 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.62 1fnj h LEU 21 CO -0.11 0.96 -0.02 -0.61 0.09 0.00 0.00 178.44 178.75 1fnj h GLN 22 N 0.60 -0.06 0.00 1.13 4.15 -0.88 -1.48 115.11 118.58 1fnj h GLN 22 Ca 0.08 0.00 -0.15 0.00 0.77 0.00 0.00 58.65 59.35 1fnj h GLN 22 Cb 0.78 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.46 1fnj h GLN 22 CO 0.06 0.19 -0.71 0.87 -1.93 0.00 0.00 178.83 177.32 1fnj h LYS 23 N -0.31 0.00 -0.25 1.69 1.57 -1.04 -1.79 116.57 116.44 1fnj h LYS 23 Ca -0.01 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.62 1fnj h LYS 23 Cb 0.28 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.59 1fnj h LYS 23 CO 0.01 0.71 -0.43 1.15 -0.57 0.00 0.00 179.45 180.32 1fnj h THR 24 N 0.00 1.30 -0.43 -0.16 2.02 -1.14 -0.99 112.91 113.51 1fnj h THR 24 Ca -0.01 -1.63 0.00 0.00 0.77 0.00 0.00 66.41 65.54 1fnj h THR 24 Cb 1.28 1.73 -0.02 0.00 -1.74 0.00 0.00 68.15 69.39 1fnj h THR 24 CO 0.09 0.52 0.28 0.50 0.37 0.00 0.00 175.52 177.28 1fnj h LYS 25 N 0.47 0.57 -0.44 6.66 3.64 -1.20 -1.35 116.57 124.92 1fnj h LYS 25 Ca 0.02 -0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.39 1fnj h LYS 25 Cb 1.03 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.69 1fnj h LYS 25 CO 0.10 0.39 0.23 0.37 -2.27 0.00 0.00 179.45 178.27 1fnj h GLN 26 N 0.58 0.45 -0.41 1.90 5.75 -1.22 -0.27 115.11 121.89 1fnj h GLN 26 Ca 0.16 -0.03 0.01 0.00 -0.15 0.00 0.00 58.65 58.64 1fnj h GLN 26 Cb -0.05 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.38 1fnj h GLN 26 CO -0.03 0.30 0.26 1.25 -2.65 0.00 0.00 178.83 177.95 1fnj h LEU 27 N 0.46 0.43 -0.44 -2.39 5.85 -0.80 -1.25 115.31 117.17 1fnj h LEU 27 Ca 0.19 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.85 1fnj h LEU 27 Cb 0.08 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 1fnj h LEU 27 CO -0.12 0.31 0.06 -0.07 -0.34 0.00 0.00 178.44 178.28 1fnj h LEU 28 N 0.52 0.71 -0.96 2.25 3.38 -0.89 -1.36 115.31 118.96 1fnj h LEU 28 Ca 0.15 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 57.80 1fnj h LEU 28 Cb -0.03 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 1fnj h LEU 28 CO -0.05 0.79 0.16 -0.33 0.09 0.00 0.00 178.44 179.10 1fnj h GLU 29 N 0.59 0.91 -0.43 1.13 5.08 -0.88 -0.95 114.58 120.04 1fnj h GLU 29 Ca 0.13 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1fnj h GLU 29 Cb 0.39 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 1fnj h GLU 29 CO 0.01 0.81 0.23 -0.22 -1.00 0.00 0.00 179.01 178.83 1fnj h LYS 30 N 0.88 0.60 -0.24 2.33 1.63 -0.99 0.99 116.57 121.78 1fnj h LYS 30 Ca 0.19 -0.08 -0.01 0.00 -0.85 0.00 0.00 60.65 59.90 1fnj h LYS 30 Cb 0.30 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 31.80 1fnj h LYS 30 CO -0.00 0.50 0.10 0.82 -3.45 0.00 0.00 179.45 177.41 1fnj h ILE 31 N 0.55 1.16 -0.69 2.00 2.04 -0.91 -1.25 117.51 120.42 1fnj h ILE 31 Ca 0.15 -0.49 -0.02 0.00 1.00 0.00 0.00 64.86 65.50 1fnj h ILE 31 Cb 0.08 1.05 -0.03 0.00 -0.74 0.00 0.00 36.82 37.17 1fnj h ILE 31 CO -0.02 0.16 0.36 0.40 0.00 0.00 0.00 178.15 179.05 1fnj h ILE 32 N 0.24 1.21 0.21 -0.67 2.04 -0.91 -1.47 117.51 118.16 1fnj h ILE 32 Ca 0.08 -0.57 -0.01 0.00 1.00 0.00 0.00 64.86 65.36 1fnj h ILE 32 Cb 0.16 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 36.55 1fnj h ILE 32 CO -0.01 0.25 -0.10 -0.08 0.00 0.00 0.00 178.15 178.21 1fnj h GLU 33 N 0.97 -0.27 -0.40 2.37 4.81 -0.58 -0.38 114.58 121.10 1fnj h GLU 33 Ca 0.24 0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.44 1fnj h GLU 33 Cb 0.06 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 1fnj h GLU 33 CO -0.04 0.05 0.04 0.93 -0.73 0.00 0.00 179.01 179.27 1fnj h GLU 34 N -0.63 0.62 -0.02 1.92 4.39 -1.15 -3.19 114.58 116.52 1fnj h GLU 34 Ca -0.03 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 59.54 1fnj h GLU 34 Cb 0.45 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 1fnj h GLU 34 CO 0.05 0.61 -0.02 0.09 -1.16 0.00 0.00 179.01 178.57 1fnj n ASN 35 N -4.28 2.47 -3.65 1.42 3.02 -0.56 -4.81 115.26 108.87 1fnj n ASN 35 Ca 0.02 -1.74 -0.22 0.00 -0.03 0.00 0.00 54.58 52.62 1fnj n ASN 35 Cb 0.24 0.03 0.05 0.00 -0.61 0.00 0.00 39.78 39.48 1fnj n ASN 35 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1fnj n HIS 36 N 0.96 -2.13 -2.78 3.10 8.25 -0.20 -4.93 115.22 117.50 1fnj n HIS 36 Ca 0.10 0.89 -0.42 0.00 -0.26 0.00 0.00 57.72 58.04 1fnj n HIS 36 Cb 0.45 -4.58 -0.03 0.00 1.12 0.00 0.00 29.99 26.94 1fnj n HIS 36 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1fnj s THR 37 N -3.51 4.84 -0.16 1.59 2.01 -0.90 -5.05 115.64 114.46 1fnj s THR 37 Ca 0.15 1.88 -0.08 0.00 0.31 0.00 0.00 61.69 63.94 1fnj s THR 37 Cb -0.07 -4.24 -0.04 0.00 0.01 0.00 0.00 72.50 68.16 1fnj s THR 37 CO 0.79 0.04 0.11 -0.54 -0.69 0.00 0.00 174.62 174.32 1fnj s LYS 38 N 1.93 3.81 0.45 4.92 1.02 -1.26 -4.94 119.74 125.67 1fnj s LYS 38 Ca 0.45 -0.22 0.21 0.00 0.02 0.00 0.00 55.97 56.43 1fnj s LYS 38 Cb -0.18 -3.26 1.20 0.00 -0.52 0.00 0.00 37.83 35.07 1fnj s LYS 38 CO 0.17 0.49 1.86 -1.00 -0.92 0.00 0.00 175.35 175.95 1fnj h PRO 39 N 5.99 0.28 0.00 -1.68 0.13 -1.92 -1.08 132.00 133.72 1fnj h PRO 39 Ca -0.46 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1fnj h PRO 39 Cb 1.18 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1fnj h PRO 39 CO 0.67 0.18 0.00 0.93 -0.23 0.00 0.00 178.00 179.56 1fnj h GLU 40 N 0.29 0.00 0.00 0.86 3.07 -1.95 -2.64 114.58 114.21 1fnj h GLU 40 Ca 0.46 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.32 1fnj h GLU 40 Cb 1.32 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.23 1fnj h GLU 40 CO -0.13 0.00 -0.58 -0.25 -1.40 0.00 0.00 179.01 176.65 1fnj n ASP 41 N -2.57 0.59 -4.63 1.42 10.43 -0.41 -4.84 116.55 116.54 1fnj n ASP 41 Ca 0.02 -0.01 -0.43 0.00 2.57 0.00 0.00 54.79 56.94 1fnj n ASP 41 Cb 0.28 0.20 -0.02 0.00 1.84 0.00 0.00 41.12 43.42 1fnj n ASP 41 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1fnj s VAL 42 N -3.10 4.53 0.01 2.53 1.01 -1.00 -0.96 120.40 123.42 1fnj s VAL 42 Ca 0.08 1.67 -0.25 0.00 0.00 0.00 0.00 61.98 63.49 1fnj s VAL 42 Cb 0.15 -4.40 -0.16 0.00 0.00 0.00 0.00 36.38 31.98 1fnj s VAL 42 CO 0.71 -0.47 1.17 0.58 0.00 0.00 0.00 175.10 177.08 1fnj h VAL 43 N 5.73 0.45 -2.65 2.92 2.07 -0.90 -3.47 116.25 120.41 1fnj h VAL 43 Ca -0.21 -0.51 0.12 0.00 0.82 0.00 0.00 66.70 66.93 1fnj h VAL 43 Cb 1.06 0.65 -0.06 0.00 -1.52 0.00 0.00 31.29 31.42 1fnj h VAL 43 CO 1.02 0.07 0.38 0.00 0.02 0.00 0.00 177.57 179.06 1fnj s GLN 44 N -4.60 1.51 -0.03 1.57 -2.07 -1.20 -4.58 119.66 110.26 1fnj s GLN 44 Ca -0.14 -0.86 -0.02 0.00 -1.82 0.00 0.00 55.36 52.53 1fnj s GLN 44 Cb 0.02 0.50 0.02 0.00 -1.09 0.00 0.00 33.01 32.46 1fnj s GLN 44 CO 0.49 -0.69 0.07 1.41 -1.32 0.00 0.00 175.29 175.25 1fnj s MET 45 N -3.39 0.04 -0.17 9.60 1.75 -0.66 -1.32 119.30 125.15 1fnj s MET 45 Ca 0.13 0.19 0.01 0.00 -1.25 0.00 0.00 55.69 54.77 1fnj s MET 45 Cb -0.04 -0.11 0.01 0.00 2.84 0.00 0.00 34.83 37.53 1fnj s MET 45 CO 0.05 -0.10 -0.17 -0.51 -0.65 0.00 0.00 175.02 173.64 1fnj s LEU 46 N 0.66 2.31 -0.03 4.11 1.43 -0.41 -2.48 118.68 124.28 1fnj s LEU 46 Ca -0.05 -0.56 0.02 0.00 -1.03 0.00 0.00 54.13 52.50 1fnj s LEU 46 Cb -0.07 -1.53 -0.03 0.00 0.03 0.00 0.00 46.19 44.59 1fnj s LEU 46 CO -0.02 0.04 -0.06 -0.76 0.23 0.00 0.00 176.35 175.77 1fnj s LEU 47 N 1.10 3.23 0.06 1.79 1.43 -0.33 -1.05 118.68 124.91 1fnj s LEU 47 Ca -0.00 -0.07 0.02 0.00 -1.03 0.00 0.00 54.13 53.05 1fnj s LEU 47 Cb -0.14 -1.80 -0.03 0.00 0.03 0.00 0.00 46.19 44.25 1fnj s LEU 47 CO -0.06 0.31 -0.07 -0.94 0.23 0.00 0.00 176.35 175.82 1fnj s SER 48 N -1.20 0.89 0.04 2.29 1.04 -0.57 -0.30 113.70 115.88 1fnj s SER 48 Ca 0.16 -0.68 0.01 0.00 0.48 0.00 0.00 55.95 55.92 1fnj s SER 48 Cb -0.11 0.06 -0.02 0.00 0.10 0.00 0.00 66.02 66.04 1fnj s SER 48 CO 0.05 -0.29 -0.06 0.00 0.98 0.00 0.00 173.24 173.93 1fnj s ALA 49 N -2.02 0.43 0.60 5.32 0.00 -1.08 -0.68 121.76 124.33 1fnj s ALA 49 Ca -0.04 -0.76 -0.16 0.00 0.00 0.00 0.00 51.96 50.99 1fnj s ALA 49 Cb -0.06 0.10 -0.03 0.00 0.00 0.00 0.00 23.12 23.14 1fnj s ALA 49 CO -0.01 -0.11 1.09 0.95 0.00 0.00 0.00 175.76 177.68 1fnj s THR 50 N -1.70 3.44 -1.91 0.00 -4.23 -0.59 -1.00 115.64 109.65 1fnj s THR 50 Ca -0.10 0.73 0.00 0.00 -1.18 0.00 0.00 61.69 61.14 1fnj s THR 50 Cb -0.08 -3.25 0.00 0.00 1.34 0.00 0.00 72.50 70.51 1fnj s THR 50 CO -0.01 -0.36 0.14 -0.81 -0.54 0.00 0.00 174.62 173.04 1fnj n PRO 51 N -1.98 0.00 -0.16 3.99 -0.04 -1.26 -2.49 135.00 133.06 1fnj n PRO 51 Ca 0.10 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.66 1fnj n PRO 51 Cb 0.52 -1.15 0.18 0.00 -0.04 0.00 0.00 33.50 33.01 1fnj n PRO 51 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1fnj n ASP 52 N -0.62 3.14 -4.27 3.54 3.85 -1.26 -4.90 116.55 116.02 1fnj n ASP 52 Ca 0.00 -1.91 -0.33 0.00 -0.71 0.00 0.00 54.79 51.84 1fnj n ASP 52 Cb 0.00 -0.21 -0.15 0.00 -1.35 0.00 0.00 41.12 39.41 1fnj n ASP 52 CO 0.00 0.00 0.00 -0.76 -1.01 0.00 0.00 177.20 175.43 1fnj s LEU 53 N -1.31 2.52 0.00 -2.12 1.43 -1.04 -4.88 118.68 113.29 1fnj s LEU 53 Ca 0.32 -0.46 0.00 0.00 -1.03 0.00 0.00 54.13 52.96 1fnj s LEU 53 Cb 0.19 -1.58 0.00 0.00 0.03 0.00 0.00 46.19 44.82 1fnj s LEU 53 CO 0.26 0.07 0.01 1.41 0.23 0.00 0.00 176.35 178.33 1fnj n HIS 54 N 4.17 0.00 -0.20 0.29 8.25 -1.26 -4.92 115.22 121.55 1fnj n HIS 54 Ca -0.19 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.28 1fnj n HIS 54 Cb 0.51 0.00 0.11 0.00 1.12 0.00 0.00 29.99 31.74 1fnj n HIS 54 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1fnj h ALA 55 N 0.00 0.69 -2.66 -1.41 0.00 -1.93 -3.46 119.26 110.49 1fnj h ALA 55 Ca 0.00 0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.11 1fnj h ALA 55 Cb 0.02 0.22 -0.12 0.00 0.00 0.00 0.00 17.79 17.90 1fnj h ALA 55 CO 0.00 -0.33 0.35 0.54 0.00 0.00 0.00 179.25 179.80 1fnj s VAL 56 N -6.11 0.00 -0.22 0.00 0.11 -1.26 -4.71 120.40 108.20 1fnj s VAL 56 Ca -0.13 -0.13 -0.29 0.00 -2.93 0.00 0.00 61.98 58.50 1fnj s VAL 56 Cb 0.18 -1.15 -0.00 0.00 -1.53 0.00 0.00 36.38 33.88 1fnj s VAL 56 CO 0.74 0.00 1.18 -0.36 -3.33 0.00 0.00 175.10 173.32 1fnj s PHE 57 N -3.48 3.02 0.56 1.54 0.08 -1.26 -4.91 117.98 113.53 1fnj s PHE 57 Ca 0.04 1.16 0.30 0.00 0.12 0.00 0.00 56.93 58.55 1fnj s PHE 57 Cb -0.01 -3.49 1.46 0.00 -0.57 0.00 0.00 43.02 40.41 1fnj s PHE 57 CO -0.09 -1.21 1.89 -1.35 -0.10 0.00 0.00 175.22 174.37 1fnj h PRO 58 N 8.07 0.00 0.00 0.24 0.11 -1.98 -1.57 132.00 136.87 1fnj h PRO 58 Ca -0.23 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.87 1fnj h PRO 58 Cb 1.08 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 1fnj h PRO 58 CO 0.99 0.00 -0.03 0.00 -0.21 0.00 0.00 178.00 178.75 1fnj h ALA 59 N 1.51 1.31 0.00 -0.75 0.00 -1.97 -2.61 119.26 116.75 1fnj h ALA 59 Ca 0.31 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1fnj h ALA 59 Cb 1.42 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1fnj h ALA 59 CO -0.00 0.04 0.07 -0.22 0.00 0.00 0.00 179.25 179.14 1fnj h LYS 60 N 0.00 0.00 0.00 0.00 3.64 -1.69 -0.89 116.57 117.63 1fnj h LYS 60 Ca -0.00 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.26 1fnj h LYS 60 Cb 0.11 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 1fnj h LYS 60 CO 0.00 0.00 -0.58 0.00 -2.27 0.00 0.00 179.45 176.61 1fnj h ALA 61 N 1.84 0.77 -0.04 5.00 0.00 -1.69 -3.17 119.26 121.98 1fnj h ALA 61 Ca 0.00 -0.52 0.01 0.00 0.00 0.00 0.00 54.91 54.40 1fnj h ALA 61 Cb 0.15 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1fnj h ALA 61 CO 0.00 0.72 0.04 0.28 0.00 0.00 0.00 179.25 180.29 1fnj h VAL 62 N 0.00 0.52 -0.14 0.00 2.07 -1.36 -1.90 116.25 115.44 1fnj h VAL 62 Ca -0.01 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 1fnj h VAL 62 Cb 1.24 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.97 1fnj h VAL 62 CO 0.07 0.00 0.01 0.03 0.02 0.00 0.00 177.57 177.70 1fnj h ARG 63 N 0.00 0.20 0.00 1.57 3.08 -1.71 -2.21 114.38 115.31 1fnj h ARG 63 Ca 0.02 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1fnj h ARG 63 Cb 0.11 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.12 1fnj h ARG 63 CO -0.00 0.22 0.00 0.39 -1.07 0.00 0.00 179.97 179.51 1fnj n GLU 64 N -4.42 0.08 -2.02 0.04 1.02 -0.71 -4.82 120.64 109.81 1fnj n GLU 64 Ca -0.01 0.01 -0.30 0.00 -0.02 0.00 0.00 57.16 56.84 1fnj n GLU 64 Cb 0.15 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.09 1fnj n GLU 64 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1fnj s LEU 65 N -2.92 3.26 -0.41 -4.62 1.43 -0.83 -5.04 118.68 109.55 1fnj s LEU 65 Ca 0.16 1.28 -0.16 0.00 -1.03 0.00 0.00 54.13 54.38 1fnj s LEU 65 Cb 0.19 -4.28 0.02 0.00 0.03 0.00 0.00 46.19 42.14 1fnj s LEU 65 CO 0.50 -0.88 0.38 -0.55 0.23 0.00 0.00 176.35 176.04 1fnj s SER 66 N -4.19 6.16 0.00 2.29 0.15 -1.26 -4.34 113.70 112.51 1fnj s SER 66 Ca 0.54 -0.70 0.00 0.00 0.70 0.00 0.00 55.95 56.49 1fnj s SER 66 Cb -0.11 -2.20 0.00 0.00 -1.71 0.00 0.00 66.02 62.00 1fnj s SER 66 CO 0.52 -0.51 0.00 0.61 1.20 0.00 0.00 173.24 175.06 1fnj n GLY 67 N 5.11 0.58 1.48 9.45 0.00 -1.26 -4.94 105.19 115.61 1fnj n GLY 67 Ca -0.09 -0.63 0.08 0.00 0.00 0.00 0.00 46.02 45.39 1fnj n GLY 67 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1fnj n TRP 68 N -2.71 1.49 0.27 1.61 7.02 -1.26 -4.60 117.44 119.26 1fnj n TRP 68 Ca 0.00 -0.69 0.17 0.00 -1.02 0.00 0.00 57.50 55.96 1fnj n TRP 68 Cb 0.00 -0.32 0.66 0.00 -2.42 0.00 0.00 31.31 29.23 1fnj n TRP 68 CO 0.00 0.00 0.00 -0.56 -2.02 0.00 0.00 177.69 175.11 1fnj h GLN 69 N 3.50 0.00 -0.02 -0.99 3.07 -1.89 -3.09 115.11 115.69 1fnj h GLN 69 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1fnj h GLN 69 Cb 1.56 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.12 1fnj h GLN 69 CO 0.29 0.02 -0.23 0.66 0.09 0.00 0.00 178.83 179.67 1fnj n TYR 70 N -3.12 0.00 -2.51 0.06 4.02 -1.26 -4.91 117.16 109.44 1fnj n TYR 70 Ca 0.01 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.47 1fnj n TYR 70 Cb 0.32 -0.01 -0.02 0.00 -0.02 0.00 0.00 39.34 39.60 1fnj n TYR 70 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1fnj s VAL 71 N -2.25 4.28 0.05 -0.72 1.01 -1.17 -4.99 120.40 116.61 1fnj s VAL 71 Ca 0.25 1.46 -0.31 0.00 0.00 0.00 0.00 61.98 63.38 1fnj s VAL 71 Cb 0.19 -4.26 -0.07 0.00 0.00 0.00 0.00 36.38 32.24 1fnj s VAL 71 CO 0.44 -0.48 1.50 -2.16 0.00 0.00 0.00 175.10 174.40 1fnj s PRO 72 N 3.96 4.25 0.01 2.72 0.04 -1.26 -4.94 135.00 139.78 1fnj s PRO 72 Ca 0.52 2.13 0.03 0.00 0.04 0.00 0.00 61.00 63.72 1fnj s PRO 72 Cb -0.15 -3.52 -0.01 0.00 0.04 0.00 0.00 34.50 30.86 1fnj s PRO 72 CO 0.20 -0.62 -0.09 0.08 0.04 0.00 0.00 177.00 176.62 1fnj s VAL 73 N 2.25 0.66 0.00 -0.36 1.01 -1.26 -1.66 120.40 121.05 1fnj s VAL 73 Ca 0.68 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 62.09 1fnj s VAL 73 Cb -0.36 -0.60 0.00 0.00 0.00 0.00 0.00 36.38 35.43 1fnj s VAL 73 CO 0.29 0.04 0.00 1.07 0.00 0.00 0.00 175.10 176.50 1fnj n THR 74 N 2.47 0.00 0.00 3.92 5.66 -1.03 -5.02 114.28 120.28 1fnj n THR 74 Ca -0.16 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.84 1fnj n THR 74 Cb 0.56 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.34 1fnj n THR 74 CO 0.00 0.00 0.00 1.15 -3.05 0.00 0.00 175.07 173.17 1fnj n MET 76 N 0.00 0.00 -3.80 1.09 0.00 0.58 -1.18 117.12 113.82 1fnj n MET 76 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 57.70 57.34 1fnj n MET 76 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 33.22 33.15 1fnj n MET 76 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 175.97 174.83 1fnj s GLN 77 N -2.00 3.93 0.49 3.17 0.74 -1.26 -2.63 119.66 122.10 1fnj s GLN 77 Ca 0.00 -0.20 -0.19 0.00 0.05 0.00 0.00 55.36 55.02 1fnj s GLN 77 Cb 0.00 -3.33 -0.09 0.00 1.10 0.00 0.00 33.01 30.69 1fnj s GLN 77 CO 0.00 0.45 1.00 -2.00 -0.55 0.00 0.00 175.29 174.19 1fnj s GLU 78 N -0.09 3.91 0.25 1.67 2.12 -0.17 -4.88 118.70 121.51 1fnj s GLU 78 Ca 0.10 1.19 -0.31 0.00 0.36 0.00 0.00 54.97 56.31 1fnj s GLU 78 Cb -0.11 -2.12 -0.12 0.00 0.26 0.00 0.00 34.13 32.03 1fnj s GLU 78 CO 0.00 -0.32 1.55 -0.12 -0.54 0.00 0.00 175.26 175.84 1fnj n MET 79 N -1.10 2.44 -2.78 4.30 0.00 -1.26 -4.46 117.12 114.27 1fnj n MET 79 Ca 0.08 0.87 -0.43 0.00 -0.00 0.00 0.00 57.70 58.23 1fnj n MET 79 Cb 0.53 -2.62 -0.04 0.00 0.00 0.00 0.00 33.22 31.09 1fnj n MET 79 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 1fnj s ASP 80 N 0.58 6.39 -0.23 6.12 2.15 -1.26 -4.94 116.67 125.48 1fnj s ASP 80 Ca 0.69 -0.18 -0.01 0.00 0.43 0.00 0.00 52.55 53.47 1fnj s ASP 80 Cb -0.57 -2.46 0.02 0.00 -0.30 0.00 0.00 42.92 39.61 1fnj s ASP 80 CO 0.45 -1.26 -0.09 -0.69 -0.17 0.00 0.00 175.17 173.41 1fnj s VAL 81 N 4.15 2.79 -0.02 1.11 1.01 -1.26 -5.08 120.40 123.09 1fnj s VAL 81 Ca 0.34 -0.89 -0.34 0.00 0.00 0.00 0.00 61.98 61.09 1fnj s VAL 81 Cb -0.11 -2.33 -0.13 0.00 0.00 0.00 0.00 36.38 33.81 1fnj s VAL 81 CO 0.22 0.33 1.78 0.35 0.00 0.00 0.00 175.10 177.77 1fnj n THR 82 N 4.68 0.40 -0.64 3.92 -2.24 -1.26 -0.33 114.28 118.80 1fnj n THR 82 Ca -0.18 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 1fnj n THR 82 Cb 0.48 -1.73 0.00 0.00 -2.10 0.00 0.00 70.33 66.98 1fnj n THR 82 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1fnj n GLY 83 N 4.08 0.76 3.91 3.38 0.00 -1.26 -5.05 105.19 111.01 1fnj n GLY 83 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 1fnj n GLY 83 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1fnj s GLY 84 N -1.79 1.63 0.05 -0.02 0.00 0.54 -4.96 107.32 102.77 1fnj s GLY 84 Ca 0.00 -0.76 -0.31 0.00 0.00 0.00 0.00 44.72 43.65 1fnj s GLY 84 CO 0.00 -0.24 1.91 -0.10 0.00 0.00 0.00 173.10 174.67 1fnj n LEU 85 N -3.33 4.01 -4.92 0.66 7.94 -1.26 -4.98 117.00 115.11 1fnj n LEU 85 Ca 0.09 0.94 -0.26 0.00 -1.11 0.00 0.00 56.01 55.67 1fnj n LEU 85 Cb 0.61 -1.51 0.03 0.00 0.53 0.00 0.00 43.42 43.08 1fnj n LEU 85 CO 0.55 0.15 0.50 -0.54 -1.11 0.00 0.00 177.39 176.93 1fnj s LYS 86 N 3.80 2.89 -1.44 1.96 -0.14 -1.26 -4.46 119.74 121.09 1fnj s LYS 86 Ca 0.87 -0.11 -0.10 0.00 -1.36 0.00 0.00 55.97 55.27 1fnj s LYS 86 Cb -0.49 -2.32 0.01 0.00 -1.68 0.00 0.00 37.83 33.36 1fnj s LYS 86 CO 0.42 -0.66 0.23 1.63 -0.76 0.00 0.00 175.35 176.21 1fnj n LYS 87 N -2.52 -0.98 -4.88 1.68 5.02 -1.26 -4.82 118.16 110.40 1fnj n LYS 87 Ca 0.04 0.12 -0.32 0.00 -2.02 0.00 0.00 58.31 56.13 1fnj n LYS 87 Cb 0.58 -3.40 -0.13 0.00 -0.02 0.00 0.00 35.03 32.06 1fnj n LYS 87 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1fnj s SER 88 N -4.15 3.90 -0.13 4.39 0.15 -1.26 -1.61 113.70 115.00 1fnj s SER 88 Ca 0.14 -0.27 0.02 0.00 0.70 0.00 0.00 55.95 56.54 1fnj s SER 88 Cb -0.07 -0.75 -0.00 0.00 -1.71 0.00 0.00 66.02 63.48 1fnj s SER 88 CO 0.98 0.32 -0.19 -0.63 1.20 0.00 0.00 173.24 174.92 1fnj s ILE 89 N -0.77 2.43 0.20 6.45 -1.09 -0.80 -1.54 121.20 126.09 1fnj s ILE 89 Ca 0.12 -0.87 0.08 0.00 -2.23 0.00 0.00 60.65 57.75 1fnj s ILE 89 Cb -0.11 -1.98 -0.05 0.00 -1.58 0.00 0.00 42.46 38.75 1fnj s ILE 89 CO 0.02 0.54 -0.16 -0.54 -1.23 0.00 0.00 174.94 173.56 1fnj s LYS 90 N 0.52 1.34 0.01 2.79 1.02 0.15 -1.42 119.74 124.16 1fnj s LYS 90 Ca -0.12 -1.54 0.05 0.00 0.02 0.00 0.00 55.97 54.38 1fnj s LYS 90 Cb -0.17 -1.26 -0.02 0.00 -0.52 0.00 0.00 37.83 35.87 1fnj s LYS 90 CO 0.04 0.23 -0.14 0.08 -0.92 0.00 0.00 175.35 174.64 1fnj s VAL 91 N -2.59 1.12 -0.37 3.17 1.01 0.29 -1.51 120.40 121.52 1fnj s VAL 91 Ca 0.21 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.39 1fnj s VAL 91 Cb -0.03 -0.97 0.13 0.00 0.00 0.00 0.00 36.38 35.50 1fnj s VAL 91 CO 0.08 0.17 0.19 -0.32 0.00 0.00 0.00 175.10 175.21 1fnj s MET 92 N -0.73 0.80 -0.26 2.72 1.75 -0.21 -2.01 119.30 121.37 1fnj s MET 92 Ca 0.04 -1.42 -0.14 0.00 -1.25 0.00 0.00 55.69 52.92 1fnj s MET 92 Cb -0.07 -1.79 -0.04 0.00 2.84 0.00 0.00 34.83 35.77 1fnj s MET 92 CO 0.00 -1.12 0.32 1.41 -0.65 0.00 0.00 175.02 174.98 1fnj s MET 93 N 1.06 4.03 -0.28 4.11 1.75 0.04 -1.28 119.30 128.73 1fnj s MET 93 Ca 0.15 -0.04 -0.12 0.00 -1.25 0.00 0.00 55.69 54.43 1fnj s MET 93 Cb -0.22 -3.63 -0.05 0.00 2.84 0.00 0.00 34.83 33.78 1fnj s MET 93 CO -0.09 -0.20 0.24 0.99 -0.65 0.00 0.00 175.02 175.31 1fnj s THR 94 N 1.82 5.28 0.11 10.11 2.01 -0.44 0.58 115.64 135.11 1fnj s THR 94 Ca 0.13 0.28 0.03 0.00 0.31 0.00 0.00 61.69 62.44 1fnj s THR 94 Cb -0.15 -3.57 -0.04 0.00 0.01 0.00 0.00 72.50 68.74 1fnj s THR 94 CO 0.09 0.23 -0.08 0.68 -0.69 0.00 0.00 174.62 174.85 1fnj s VAL 95 N 1.81 0.87 -0.09 3.82 -7.23 0.12 -0.19 120.40 119.51 1fnj s VAL 95 Ca 0.09 -1.87 -0.18 0.00 -1.81 0.00 0.00 61.98 58.21 1fnj s VAL 95 Cb -0.16 -1.61 -0.04 0.00 0.56 0.00 0.00 36.38 35.12 1fnj s VAL 95 CO 0.10 -0.75 0.50 -1.58 -0.31 0.00 0.00 175.10 173.06 1fnj s GLN 96 N -3.49 4.31 0.06 4.82 0.74 -0.13 -0.22 119.66 125.75 1fnj s GLN 96 Ca 0.11 0.50 -0.26 0.00 0.05 0.00 0.00 55.36 55.76 1fnj s GLN 96 Cb 0.02 -3.41 0.09 0.00 1.10 0.00 0.00 33.01 30.81 1fnj s GLN 96 CO -0.02 0.21 0.75 -0.08 -0.55 0.00 0.00 175.29 175.60 1fnj s THR 97 N 0.42 0.00 -0.34 -0.34 -1.32 -0.68 -4.92 115.64 108.47 1fnj s THR 97 Ca 0.27 0.00 0.22 0.00 -1.21 0.00 0.00 61.69 60.97 1fnj s THR 97 Cb -0.16 -1.00 -0.24 0.00 -1.51 0.00 0.00 72.50 69.59 1fnj s THR 97 CO 0.12 0.00 0.72 0.47 -2.21 0.00 0.00 174.62 173.72 1fnj n ASP 98 N -0.21 0.39 -4.68 8.08 8.00 -1.26 -3.83 116.55 123.04 1fnj n ASP 98 Ca -0.13 -0.18 -0.44 0.00 0.71 0.00 0.00 54.79 54.75 1fnj n ASP 98 Cb 0.63 1.42 -0.03 0.00 -0.02 0.00 0.00 41.12 43.12 1fnj n ASP 98 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1fnj n VAL 99 N -2.11 0.48 -1.62 2.53 0.31 -1.26 -4.94 118.33 111.71 1fnj n VAL 99 Ca -0.01 -0.09 -0.39 0.00 -0.01 0.00 0.00 64.34 63.84 1fnj n VAL 99 Cb 0.50 -2.09 0.03 0.00 -0.91 0.00 0.00 33.84 31.37 1fnj n VAL 99 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1fnj n PRO 100 N 6.11 1.20 -0.33 5.55 -0.05 -1.26 -4.81 135.00 141.42 1fnj n PRO 100 Ca 0.19 0.44 0.19 0.00 -0.05 0.00 0.00 63.50 64.28 1fnj n PRO 100 Cb 0.36 -2.15 0.44 0.00 -0.05 0.00 0.00 33.50 32.11 1fnj n PRO 100 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 175.50 175.82 1fnj h GLN 101 N 1.08 0.50 0.00 0.54 4.15 -1.99 0.44 115.11 119.84 1fnj h GLN 101 Ca -0.47 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 58.92 1fnj h GLN 101 Cb 1.34 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.92 1fnj h GLN 101 CO 0.54 0.33 0.00 -0.40 -1.93 0.00 0.00 178.83 177.37 1fnj n ASP 102 N -4.70 0.00 -0.39 -0.69 5.75 -1.26 -3.33 116.55 111.93 1fnj n ASP 102 Ca 0.25 0.17 0.05 0.00 -0.01 0.00 0.00 54.79 55.25 1fnj n ASP 102 Cb 0.77 -0.38 0.03 0.00 -1.03 0.00 0.00 41.12 40.52 1fnj n ASP 102 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1fnj n GLN 103 N -1.38 0.95 -2.14 0.11 6.02 0.13 -4.99 117.38 116.07 1fnj n GLN 103 Ca 0.09 -1.02 -0.41 0.00 -0.01 0.00 0.00 57.00 55.66 1fnj n GLN 103 Cb 0.24 -1.18 -0.03 0.00 1.02 0.00 0.00 30.24 30.29 1fnj n GLN 103 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1fnj s ILE 104 N -1.05 2.95 -0.60 5.09 -1.09 -1.13 -4.96 121.20 120.42 1fnj s ILE 104 Ca 0.12 0.82 -0.18 0.00 -2.23 0.00 0.00 60.65 59.18 1fnj s ILE 104 Cb 0.09 -3.52 0.11 0.00 -1.58 0.00 0.00 42.46 37.56 1fnj s ILE 104 CO 0.17 0.14 0.69 -0.13 -1.23 0.00 0.00 174.94 174.58 1fnj s ARG 105 N -0.58 3.06 0.19 2.79 1.81 -1.26 -5.04 118.95 119.91 1fnj s ARG 105 Ca 0.55 -1.40 -0.23 0.00 -1.72 0.00 0.00 55.73 52.94 1fnj s ARG 105 Cb -0.39 -4.29 -0.08 0.00 -0.45 0.00 0.00 34.95 29.75 1fnj s ARG 105 CO 0.43 -1.52 0.75 -1.01 -0.68 0.00 0.00 175.30 173.27 1fnj s HIS 106 N 2.51 3.80 -0.18 -0.53 3.76 -1.26 -4.80 115.29 118.59 1fnj s HIS 106 Ca 0.11 1.53 -0.02 0.00 -0.15 0.00 0.00 55.06 56.53 1fnj s HIS 106 Cb -0.24 -2.71 -0.01 0.00 1.11 0.00 0.00 32.58 30.73 1fnj s HIS 106 CO 0.05 0.45 -0.10 0.08 -0.85 0.00 0.00 174.74 174.37 1fnj s VAL 107 N -1.29 3.07 -0.19 -0.90 1.01 -0.46 -4.99 120.40 116.63 1fnj s VAL 107 Ca 0.38 -0.62 0.01 0.00 0.00 0.00 0.00 61.98 61.76 1fnj s VAL 107 Cb -0.20 -2.35 0.04 0.00 0.00 0.00 0.00 36.38 33.87 1fnj s VAL 107 CO 0.24 0.48 -0.13 -0.31 0.00 0.00 0.00 175.10 175.37 1fnj s TYR 108 N 1.07 2.55 0.35 5.22 1.51 -1.26 -0.05 117.35 126.75 1fnj s TYR 108 Ca 0.00 -1.63 0.08 0.00 -1.01 0.00 0.00 57.07 54.51 1fnj s TYR 108 Cb -0.15 -1.72 -0.07 0.00 -0.11 0.00 0.00 41.96 39.91 1fnj s TYR 108 CO -0.02 -0.76 -0.04 -0.51 -1.11 0.00 0.00 175.55 173.11 1fnj s LEU 109 N 1.35 2.70 0.00 -1.29 1.43 0.03 -4.56 118.68 118.34 1fnj s LEU 109 Ca 0.00 -1.27 0.00 0.00 -1.03 0.00 0.00 54.13 51.83 1fnj s LEU 109 Cb -0.15 -0.87 0.00 0.00 0.03 0.00 0.00 46.19 45.20 1fnj s LEU 109 CO -0.09 -0.33 0.00 -0.62 0.23 0.00 0.00 176.35 175.53 1fnj n GLU 110 N -0.81 0.00 0.00 1.70 -0.58 -1.26 -1.79 120.64 117.90 1fnj n GLU 110 Ca -0.05 0.00 0.06 0.00 -0.42 0.00 0.00 57.16 56.76 1fnj n GLU 110 Cb 0.65 0.00 0.32 0.00 -0.57 0.00 0.00 31.44 31.83 1fnj n GLU 110 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1fnj n LYS 111 N 12.77 0.12 -0.02 3.49 5.02 -1.26 -2.51 118.16 135.77 1fnj n LYS 111 Ca 0.00 0.20 0.09 0.00 -2.02 0.00 0.00 58.31 56.58 1fnj n LYS 111 Cb 0.00 -1.50 0.48 0.00 -0.02 0.00 0.00 35.03 33.99 1fnj n LYS 111 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1fnj n ALA 112 N -1.37 2.59 0.25 7.82 0.00 -0.74 -3.38 120.51 125.67 1fnj n ALA 112 Ca 0.05 -0.18 0.13 0.00 0.00 0.00 0.00 53.44 53.43 1fnj n ALA 112 Cb 0.13 -1.24 0.64 0.00 0.00 0.00 0.00 19.45 18.97 1fnj n ALA 112 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1fnj h VAL 113 N 0.41 0.47 0.00 0.00 -1.51 -1.59 -2.51 116.25 111.52 1fnj h VAL 113 Ca 0.00 -0.75 0.00 0.00 -1.23 0.00 0.00 66.70 64.72 1fnj h VAL 113 Cb 0.09 1.52 0.00 0.00 -2.13 0.00 0.00 31.29 30.77 1fnj h VAL 113 CO 0.00 0.14 0.00 1.33 -1.23 0.00 0.00 177.57 177.81 1fnj n VAL 114 N -3.45 1.29 0.07 7.19 0.24 -1.22 -2.01 118.33 120.44 1fnj n VAL 114 Ca -0.01 0.40 0.08 0.00 -2.04 0.00 0.00 64.34 62.77 1fnj n VAL 114 Cb 0.32 -1.30 -0.04 0.00 -1.47 0.00 0.00 33.84 31.35 1fnj n VAL 114 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1fnj n LEU 115 N -1.75 0.75 0.00 1.34 4.77 -0.94 -5.21 117.00 115.95 1fnj n LEU 115 Ca 0.01 0.30 0.03 0.00 -0.03 0.00 0.00 56.01 56.33 1fnj n LEU 115 Cb 0.11 -0.01 0.19 0.00 -2.33 0.00 0.00 43.42 41.38 1fnj n LEU 115 CO 0.10 -0.07 0.42 0.54 -1.33 0.00 0.00 177.39 177.05