#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fnj s TYR 18 N 0.00 2.70 0.07 1.12 1.51 -1.26 0.92 117.35 122.41 2fnj s TYR 18 Ca 0.00 -0.20 0.03 0.00 -1.01 0.00 0.00 57.07 55.89 2fnj s TYR 18 Cb 0.00 -1.28 -0.03 0.00 -0.11 0.00 0.00 41.96 40.54 2fnj s TYR 18 CO 0.00 0.55 -0.09 0.14 -1.11 0.00 0.00 175.55 175.03 2fnj s VAL 19 N -1.91 0.79 -0.22 0.71 -7.23 0.33 -4.52 120.40 108.35 2fnj s VAL 19 Ca 0.28 -1.41 -0.07 0.00 -1.81 0.00 0.00 61.98 58.96 2fnj s VAL 19 Cb -0.08 -1.07 -0.03 0.00 0.56 0.00 0.00 36.38 35.75 2fnj s VAL 19 CO 0.17 -0.48 0.05 -0.75 -0.31 0.00 0.00 175.10 173.79 2fnj s LYS 20 N -2.30 3.72 -0.21 4.82 2.20 -1.12 -1.39 119.74 125.46 2fnj s LYS 20 Ca -0.01 -0.45 -0.05 0.00 -0.36 0.00 0.00 55.97 55.10 2fnj s LYS 20 Cb -0.06 -3.25 -0.02 0.00 -1.51 0.00 0.00 37.83 33.00 2fnj s LYS 20 CO -0.00 -0.03 -0.01 -0.51 -0.36 0.00 0.00 175.35 174.44 2fnj s LEU 21 N 1.18 3.17 -0.18 5.43 1.43 0.73 -1.18 118.68 129.26 2fnj s LEU 21 Ca 0.04 -0.26 -0.04 0.00 -1.03 0.00 0.00 54.13 52.85 2fnj s LEU 21 Cb -0.14 -1.81 -0.02 0.00 0.03 0.00 0.00 46.19 44.25 2fnj s LEU 21 CO 0.03 0.03 -0.04 -0.63 0.23 0.00 0.00 176.35 175.97 2fnj s ILE 22 N 1.20 3.67 0.80 -0.59 1.01 0.17 0.20 121.20 127.66 2fnj s ILE 22 Ca 0.03 -0.42 -0.12 0.00 0.00 0.00 0.00 60.65 60.14 2fnj s ILE 22 Cb -0.15 -2.63 0.07 0.00 0.01 0.00 0.00 42.46 39.76 2fnj s ILE 22 CO 0.01 0.46 1.14 -0.94 0.00 0.00 0.00 174.94 175.60 2fnj s SER 23 N 0.86 4.58 0.42 3.58 1.04 -0.14 -0.98 113.70 123.05 2fnj s SER 23 Ca -0.01 0.98 0.08 0.00 0.48 0.00 0.00 55.95 57.48 2fnj s SER 23 Cb -0.15 -1.60 0.88 0.00 0.10 0.00 0.00 66.02 65.25 2fnj s SER 23 CO 0.01 -1.88 2.06 0.77 0.98 0.00 0.00 173.24 175.19 2fnj h SER 24 N -1.03 0.44 -0.35 7.02 4.64 -0.29 -1.77 113.55 122.21 2fnj h SER 24 Ca -0.47 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 2fnj h SER 24 Cb 1.30 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2fnj h SER 24 CO 0.64 0.32 0.00 -0.90 -0.87 0.00 0.00 176.83 176.02 2fnj n ASP 25 N -4.48 3.73 0.00 4.97 5.75 -1.26 -4.93 116.55 120.33 2fnj n ASP 25 Ca 0.03 -2.51 0.00 0.00 -0.01 0.00 0.00 54.79 52.29 2fnj n ASP 25 Cb 0.06 -0.59 0.00 0.00 -1.03 0.00 0.00 41.12 39.56 2fnj n ASP 25 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2fnj n GLY 26 N 0.44 0.57 3.74 6.12 0.00 -0.66 -5.00 105.19 110.40 2fnj n GLY 26 Ca 0.16 -0.05 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 2fnj n GLY 26 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2fnj s HIS 27 N -2.00 3.77 -0.27 1.61 3.76 -1.26 -4.83 115.29 116.07 2fnj s HIS 27 Ca 0.00 1.62 -0.09 0.00 -0.15 0.00 0.00 55.06 56.45 2fnj s HIS 27 Cb 0.00 -2.93 -0.03 0.00 1.11 0.00 0.00 32.58 30.73 2fnj s HIS 27 CO 0.00 0.24 0.12 -1.21 -0.85 0.00 0.00 174.74 173.04 2fnj s GLU 28 N -0.01 3.68 -0.27 1.40 2.02 -1.26 -0.97 118.70 123.29 2fnj s GLU 28 Ca 0.42 -0.48 -0.07 0.00 0.02 0.00 0.00 54.97 54.86 2fnj s GLU 28 Cb -0.22 -3.46 -0.02 0.00 0.10 0.00 0.00 34.13 30.54 2fnj s GLU 28 CO 0.26 -0.23 0.08 -0.06 0.02 0.00 0.00 175.26 175.33 2fnj s PHE 29 N 1.66 3.11 -0.39 1.61 0.40 0.13 -4.93 117.98 119.57 2fnj s PHE 29 Ca 0.06 -0.60 -0.15 0.00 -0.60 0.00 0.00 56.93 55.65 2fnj s PHE 29 Cb -0.16 -2.26 0.01 0.00 0.51 0.00 0.00 43.02 41.13 2fnj s PHE 29 CO 0.06 -0.43 0.31 0.42 0.70 0.00 0.00 175.22 176.28 2fnj s ILE 30 N 1.58 5.24 0.15 0.64 1.01 -1.26 -0.19 121.20 128.36 2fnj s ILE 30 Ca 0.05 -0.48 0.07 0.00 0.00 0.00 0.00 60.65 60.29 2fnj s ILE 30 Cb -0.16 -3.89 -0.04 0.00 0.01 0.00 0.00 42.46 38.38 2fnj s ILE 30 CO 0.04 -0.24 -0.15 0.68 0.00 0.00 0.00 174.94 175.26 2fnj s VAL 31 N 1.77 1.52 0.29 2.92 -7.23 -0.49 -4.94 120.40 114.25 2fnj s VAL 31 Ca 0.07 -1.85 -0.30 0.00 -1.81 0.00 0.00 61.98 58.08 2fnj s VAL 31 Cb -0.18 -1.71 -0.11 0.00 0.56 0.00 0.00 36.38 34.94 2fnj s VAL 31 CO 0.11 -0.42 1.57 -0.54 -0.31 0.00 0.00 175.10 175.50 2fnj s LYS 32 N -2.88 4.14 0.21 4.82 1.02 -1.26 -0.51 119.74 125.28 2fnj s LYS 32 Ca 0.13 2.54 -0.09 0.00 0.02 0.00 0.00 55.97 58.56 2fnj s LYS 32 Cb -0.04 -3.03 0.30 0.00 -0.52 0.00 0.00 37.83 34.54 2fnj s LYS 32 CO 0.04 -0.60 1.71 -0.09 -0.92 0.00 0.00 175.35 175.50 2fnj h ARG 33 N 4.82 0.28 -0.79 1.68 2.43 0.26 -1.00 114.38 122.07 2fnj h ARG 33 Ca -0.47 -0.02 0.06 0.00 -0.81 0.00 0.00 59.98 58.74 2fnj h ARG 33 Cb 1.22 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 30.66 2fnj h ARG 33 CO 0.79 0.19 0.52 0.93 -1.51 0.00 0.00 179.97 180.88 2fnj h GLU 34 N 0.29 0.85 -0.42 0.20 3.07 -1.90 -1.72 114.58 114.94 2fnj h GLU 34 Ca 0.32 -0.05 -0.09 0.00 -0.50 0.00 0.00 59.36 59.04 2fnj h GLU 34 Cb 0.47 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 28.17 2fnj h GLU 34 CO -0.39 0.56 -0.08 0.45 -1.40 0.00 0.00 179.01 178.16 2fnj h HIS 35 N 0.87 0.89 0.00 4.33 3.86 -1.57 -2.95 115.15 120.59 2fnj h HIS 35 Ca 0.34 -0.18 -0.04 0.00 -1.16 0.00 0.00 60.37 59.33 2fnj h HIS 35 Cb 0.21 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 28.45 2fnj h HIS 35 CO -0.00 0.90 -0.18 0.00 0.86 0.00 0.00 177.93 179.51 2fnj h ALA 36 N 0.86 1.49 0.00 2.45 0.00 -0.64 -2.07 119.26 121.34 2fnj h ALA 36 Ca 0.11 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2fnj h ALA 36 Cb 0.60 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2fnj h ALA 36 CO 0.04 0.22 0.00 1.28 0.00 0.00 0.00 179.25 180.79 2fnj n LEU 37 N -4.01 0.00 0.26 0.00 4.77 -0.72 -1.97 117.00 115.32 2fnj n LEU 37 Ca -0.02 0.30 0.09 0.00 -0.03 0.00 0.00 56.01 56.34 2fnj n LEU 37 Cb 0.26 -0.30 0.66 0.00 -2.33 0.00 0.00 43.42 41.71 2fnj n LEU 37 CO 0.34 -0.19 1.05 0.74 -1.33 0.00 0.00 177.39 178.01 2fnj h THR 38 N 0.00 0.95 -3.38 -5.08 2.02 -1.49 -3.39 112.91 102.54 2fnj h THR 38 Ca 0.00 -0.10 -0.60 0.00 0.77 0.00 0.00 66.41 66.48 2fnj h THR 38 Cb 0.11 1.05 -0.10 0.00 -1.74 0.00 0.00 68.15 67.48 2fnj h THR 38 CO 0.00 0.03 0.32 -0.55 0.37 0.00 0.00 175.52 175.68 2fnj s SER 39 N -6.93 6.72 0.30 4.18 0.15 -0.83 -4.64 113.70 112.64 2fnj s SER 39 Ca -0.05 0.89 -0.01 0.00 0.70 0.00 0.00 55.95 57.48 2fnj s SER 39 Cb 0.17 -2.39 0.47 0.00 -1.71 0.00 0.00 66.02 62.56 2fnj s SER 39 CO 0.66 -0.44 1.93 1.23 1.20 0.00 0.00 173.24 177.82 2fnj h GLY 40 N 8.99 1.28 0.80 9.45 0.00 -0.46 -0.62 103.07 122.51 2fnj h GLY 40 Ca -0.25 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 46.64 2fnj h GLY 40 CO 0.82 0.36 0.02 -0.84 0.00 0.00 0.00 176.54 176.90 2fnj h THR 41 N 1.09 1.19 -0.75 4.70 2.02 -1.62 -1.74 112.91 117.80 2fnj h THR 41 Ca 0.36 -0.59 -0.04 0.00 0.77 0.00 0.00 66.41 66.91 2fnj h THR 41 Cb 0.06 1.46 -0.03 0.00 -1.74 0.00 0.00 68.15 67.89 2fnj h THR 41 CO -0.11 0.16 0.30 0.40 0.37 0.00 0.00 175.52 176.64 2fnj h ILE 42 N -0.11 1.25 -0.36 3.11 2.04 -1.72 -0.85 117.51 120.87 2fnj h ILE 42 Ca 0.02 -0.79 0.04 0.00 1.00 0.00 0.00 64.86 65.14 2fnj h ILE 42 Cb 0.25 0.35 -0.04 0.00 -0.74 0.00 0.00 36.82 36.64 2fnj h ILE 42 CO 0.00 0.32 0.12 0.50 0.00 0.00 0.00 178.15 179.09 2fnj h LYS 43 N 1.09 0.25 -0.43 2.37 3.64 -0.98 -0.21 116.57 122.30 2fnj h LYS 43 Ca 0.25 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.54 2fnj h LYS 43 Cb 0.20 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.95 2fnj h LYS 43 CO -0.02 0.17 -0.06 0.00 -2.27 0.00 0.00 179.45 177.27 2fnj h ALA 44 N 1.24 1.08 0.00 5.00 0.00 -0.85 -2.66 119.26 123.06 2fnj h ALA 44 Ca 0.16 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 2fnj h ALA 44 Cb 0.15 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2fnj h ALA 44 CO -0.18 0.57 -0.45 0.52 0.00 0.00 0.00 179.25 179.71 2fnj h MET 45 N 0.68 0.00 0.00 0.00 2.86 -0.57 -2.75 114.93 115.15 2fnj h MET 45 Ca 0.13 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 2fnj h MET 45 Cb 0.51 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.17 2fnj h MET 45 CO 0.03 0.45 -0.29 1.28 1.06 0.00 0.00 176.91 179.44 2fnj n LEU 46 N -3.72 0.31 -0.08 1.22 4.32 -0.14 -4.18 117.00 114.73 2fnj n LEU 46 Ca -0.01 0.23 -0.08 0.00 -0.02 0.00 0.00 56.01 56.13 2fnj n LEU 46 Cb 0.52 -0.35 -0.03 0.00 -1.62 0.00 0.00 43.42 41.94 2fnj n LEU 46 CO 0.39 0.06 -0.39 -1.20 -1.22 0.00 0.00 177.39 175.03 2fnj n SER 47 N -1.54 1.82 0.00 -1.43 7.64 -1.03 -5.09 113.62 113.99 2fnj n SER 47 Ca 0.06 0.60 0.00 0.00 1.01 0.00 0.00 58.87 60.54 2fnj n SER 47 Cb 0.34 -0.89 0.00 0.00 -1.01 0.00 0.00 64.21 62.66 2fnj n SER 47 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2fnj n GLY 48 N 1.58 0.91 0.00 0.23 0.00 -1.06 -5.13 105.19 101.72 2fnj n GLY 48 Ca -0.12 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.38 2fnj n GLY 48 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2fnj n PRO 49 N 1.92 0.00 0.00 1.61 -0.02 -1.26 -4.99 135.00 132.26 2fnj n PRO 49 Ca 0.00 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 2fnj n PRO 49 Cb 0.00 -1.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 2fnj n PRO 49 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2fnj n ASN 58 N -1.34 0.00 -4.84 2.55 2.04 -1.26 -5.29 115.26 107.13 2fnj n ASN 58 Ca 0.00 0.00 -0.21 0.00 -0.44 0.00 0.00 54.58 53.93 2fnj n ASN 58 Cb 0.08 0.00 -0.04 0.00 -2.53 0.00 0.00 39.78 37.30 2fnj n ASN 58 CO 0.00 0.00 0.00 -1.61 -0.44 0.00 0.00 177.26 175.21 2fnj s GLU 59 N -2.34 2.64 -0.05 -3.83 2.02 -1.26 -2.79 118.70 113.09 2fnj s GLU 59 Ca 0.00 -1.38 -0.02 0.00 0.02 0.00 0.00 54.97 53.60 2fnj s GLU 59 Cb 0.00 -2.41 0.03 0.00 0.10 0.00 0.00 34.13 31.85 2fnj s GLU 59 CO 0.00 0.05 0.08 0.08 0.02 0.00 0.00 175.26 175.49 2fnj s VAL 60 N -2.35 -0.11 -0.07 2.63 1.01 -0.33 -4.95 120.40 116.23 2fnj s VAL 60 Ca 0.42 0.32 -0.00 0.00 0.00 0.00 0.00 61.98 62.72 2fnj s VAL 60 Cb -0.05 -0.17 -0.03 0.00 0.00 0.00 0.00 36.38 36.13 2fnj s VAL 60 CO 0.26 0.13 -0.03 0.21 0.00 0.00 0.00 175.10 175.68 2fnj s ASN 61 N 1.75 4.99 -0.20 3.32 3.84 -1.26 -0.65 114.94 126.72 2fnj s ASN 61 Ca -0.01 0.06 0.01 0.00 0.21 0.00 0.00 52.86 53.13 2fnj s ASN 61 Cb -0.12 -1.33 0.04 0.00 -0.55 0.00 0.00 41.25 39.28 2fnj s ASN 61 CO -0.04 0.36 -0.14 -0.36 -2.79 0.00 0.00 177.10 174.13 2fnj s PHE 62 N -0.88 2.72 0.27 0.43 0.08 -0.15 -4.94 117.98 115.50 2fnj s PHE 62 Ca 0.14 -1.75 0.03 0.00 0.12 0.00 0.00 56.93 55.47 2fnj s PHE 62 Cb -0.11 -1.80 0.36 0.00 -0.57 0.00 0.00 43.02 40.89 2fnj s PHE 62 CO 0.03 -0.79 1.66 0.00 -0.10 0.00 0.00 175.22 176.02 2fnj h ARG 63 N 7.92 0.40 0.00 0.44 2.47 -1.91 -2.38 114.38 121.32 2fnj h ARG 63 Ca -0.33 -0.19 0.00 0.00 -1.26 0.00 0.00 59.98 58.20 2fnj h ARG 63 Cb 1.10 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.42 2fnj h ARG 63 CO 0.54 0.72 -0.06 0.39 0.56 0.00 0.00 179.97 182.12 2fnj n GLU 64 N -4.04 1.46 -3.91 0.04 -0.58 -1.26 -4.67 120.64 107.68 2fnj n GLU 64 Ca -0.01 -2.03 -0.35 0.00 -0.42 0.00 0.00 57.16 54.35 2fnj n GLU 64 Cb 0.48 -1.21 -0.14 0.00 -0.57 0.00 0.00 31.44 30.00 2fnj n GLU 64 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 2fnj s ILE 65 N -1.94 2.94 0.72 -3.67 1.01 -1.26 -4.97 121.20 114.05 2fnj s ILE 65 Ca 0.19 -1.48 -0.11 0.00 0.00 0.00 0.00 60.65 59.25 2fnj s ILE 65 Cb 0.17 -2.74 0.02 0.00 0.01 0.00 0.00 42.46 39.92 2fnj s ILE 65 CO 0.02 -0.17 1.07 -2.16 0.00 0.00 0.00 174.94 173.70 2fnj s PRO 66 N 1.22 2.72 0.32 2.79 0.04 -1.26 -0.58 135.00 140.25 2fnj s PRO 66 Ca -0.04 0.86 0.05 0.00 0.04 0.00 0.00 61.00 61.91 2fnj s PRO 66 Cb -0.20 -1.97 0.69 0.00 0.04 0.00 0.00 34.50 33.06 2fnj s PRO 66 CO -0.02 -1.23 1.86 0.66 0.04 0.00 0.00 177.00 178.31 2fnj h SER 67 N -0.81 0.78 0.59 6.66 4.64 -1.94 0.10 113.55 123.57 2fnj h SER 67 Ca -0.45 0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 60.90 2fnj h SER 67 Cb 1.23 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 63.20 2fnj h SER 67 CO 0.58 0.41 -0.06 1.12 -0.87 0.00 0.00 176.83 178.01 2fnj h HIS 68 N 0.84 0.00 0.03 4.77 2.07 -2.00 0.16 115.15 121.03 2fnj h HIS 68 Ca 0.46 0.00 -0.29 0.00 -2.85 0.00 0.00 60.37 57.69 2fnj h HIS 68 Cb 0.58 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 30.53 2fnj h HIS 68 CO -0.00 0.06 -1.58 0.28 -3.07 0.00 0.00 177.93 173.62 2fnj n VAL 69 N -3.29 1.60 -0.20 6.12 0.31 -0.53 -3.78 118.33 118.55 2fnj n VAL 69 Ca -0.01 -0.24 -0.01 0.00 -0.01 0.00 0.00 64.34 64.08 2fnj n VAL 69 Cb 0.25 -1.93 0.22 0.00 -0.91 0.00 0.00 33.84 31.46 2fnj n VAL 69 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 2fnj h LEU 70 N -0.69 0.86 -0.29 7.52 6.46 -0.90 -0.83 115.31 127.44 2fnj h LEU 70 Ca -0.40 -0.06 -0.01 0.00 -0.12 0.00 0.00 57.88 57.29 2fnj h LEU 70 Cb 1.54 -0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 41.24 2fnj h LEU 70 CO -0.14 0.69 0.15 0.77 -0.62 0.00 0.00 178.44 179.29 2fnj h SER 71 N 0.97 0.37 -0.79 1.25 4.64 -1.15 -0.79 113.55 118.05 2fnj h SER 71 Ca 0.25 -0.10 0.03 0.00 -0.47 0.00 0.00 61.79 61.50 2fnj h SER 71 Cb 0.02 -0.10 -0.05 0.00 -0.31 0.00 0.00 62.40 61.97 2fnj h SER 71 CO -0.04 0.37 0.50 0.11 -0.87 0.00 0.00 176.83 176.90 2fnj h LYS 72 N 0.35 0.95 -0.68 4.77 1.79 -1.51 -1.79 116.57 120.45 2fnj h LYS 72 Ca 0.10 -0.06 0.01 0.00 -2.18 0.00 0.00 60.65 58.53 2fnj h LYS 72 Cb 0.08 -0.22 -0.04 0.00 -1.58 0.00 0.00 32.23 30.48 2fnj h LYS 72 CO -0.02 0.63 0.45 0.28 -1.08 0.00 0.00 179.45 179.71 2fnj h VAL 73 N 0.98 1.15 -0.58 0.50 2.07 -0.75 -1.55 116.25 118.08 2fnj h VAL 73 Ca 0.32 -0.31 -0.06 0.00 0.82 0.00 0.00 66.70 67.47 2fnj h VAL 73 Cb 0.01 0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 29.92 2fnj h VAL 73 CO -0.11 0.16 0.13 0.00 0.02 0.00 0.00 177.57 177.77 2fnj h MET 75 N 0.86 0.78 -0.72 0.00 2.07 -0.83 -1.50 114.93 115.59 2fnj h MET 75 Ca 0.18 -0.12 -0.05 0.00 -2.07 0.00 0.00 59.70 57.64 2fnj h MET 75 Cb 0.33 -0.14 -0.03 0.00 -1.87 0.00 0.00 31.60 29.89 2fnj h MET 75 CO 0.00 0.65 0.24 -0.92 1.07 0.00 0.00 176.91 177.95 2fnj h TYR 76 N 0.77 1.15 -0.53 -0.22 3.20 -0.23 -0.50 116.97 120.60 2fnj h TYR 76 Ca 0.18 -0.11 0.03 0.00 3.14 0.00 0.00 58.73 61.97 2fnj h TYR 76 Cb 0.17 -0.33 -0.04 0.00 1.54 0.00 0.00 36.73 38.07 2fnj h TYR 76 CO 0.01 0.91 0.30 0.74 -1.64 0.00 0.00 178.16 178.48 2fnj h PHE 77 N 1.06 0.56 -0.49 -3.82 0.04 -0.29 0.34 116.94 114.34 2fnj h PHE 77 Ca 0.23 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 61.01 2fnj h PHE 77 Cb 0.29 -0.18 -0.02 0.00 2.20 0.00 0.00 35.95 38.24 2fnj h PHE 77 CO 0.02 0.31 0.23 1.15 -0.60 0.00 0.00 178.31 179.42 2fnj h THR 78 N 0.60 1.19 0.39 -1.55 2.02 -0.99 -2.04 112.91 112.53 2fnj h THR 78 Ca 0.22 -0.54 -0.02 0.00 0.77 0.00 0.00 66.41 66.84 2fnj h THR 78 Cb 0.07 0.65 0.00 0.00 -1.74 0.00 0.00 68.15 67.13 2fnj h THR 78 CO -0.12 0.21 -0.19 0.22 0.37 0.00 0.00 175.52 176.01 2fnj h TYR 79 N 0.64 -0.49 -0.23 3.16 3.20 -0.54 -1.99 116.97 120.72 2fnj h TYR 79 Ca 0.17 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.08 2fnj h TYR 79 Cb 0.12 0.16 -0.05 0.00 1.54 0.00 0.00 36.73 38.50 2fnj h TYR 79 CO -0.01 -0.28 -0.08 -0.22 -1.64 0.00 0.00 178.16 175.93 2fnj h LYS 80 N -0.56 -0.04 -0.26 1.82 1.63 -0.24 -1.54 116.57 117.38 2fnj h LYS 80 Ca -0.05 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.72 2fnj h LYS 80 Cb 0.43 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.05 2fnj h LYS 80 CO 0.09 -0.03 0.03 0.28 -3.45 0.00 0.00 179.45 176.37 2fnj h VAL 81 N -0.04 1.24 -0.68 2.00 2.07 -1.40 -1.57 116.25 117.87 2fnj h VAL 81 Ca 0.12 -0.82 0.01 0.00 0.82 0.00 0.00 66.70 66.83 2fnj h VAL 81 Cb 0.22 1.28 -0.03 0.00 -1.52 0.00 0.00 31.29 31.23 2fnj h VAL 81 CO -0.26 0.26 0.45 -0.09 0.02 0.00 0.00 177.57 177.95 2fnj h ARG 82 N 0.23 0.89 -0.00 1.57 9.65 -1.20 -2.82 114.38 122.70 2fnj h ARG 82 Ca 0.08 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.90 2fnj h ARG 82 Cb 0.36 -0.20 0.00 0.00 -1.39 0.00 0.00 29.97 28.74 2fnj h ARG 82 CO 0.01 0.59 -0.50 0.66 2.80 0.00 0.00 179.97 183.53 2fnj n TYR 83 N -4.62 0.00 0.06 2.20 4.01 -0.59 -3.82 117.16 114.41 2fnj n TYR 83 Ca 0.06 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.65 2fnj n TYR 83 Cb 0.02 -0.14 -0.14 0.00 -0.31 0.00 0.00 39.34 38.77 2fnj n TYR 83 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 2fnj h THR 84 N 0.69 1.25 -1.93 -0.72 2.02 -1.23 -3.34 112.91 109.64 2fnj h THR 84 Ca 0.00 -2.90 -0.78 0.00 0.77 0.00 0.00 66.41 63.49 2fnj h THR 84 Cb 0.53 2.77 -0.23 0.00 -1.74 0.00 0.00 68.15 69.48 2fnj h THR 84 CO 0.00 0.82 1.39 0.59 0.37 0.00 0.00 175.52 178.69 2fnj n ASN 85 N -3.42 7.54 -3.60 4.18 3.02 -1.07 -4.88 115.26 117.03 2fnj n ASN 85 Ca -0.13 -3.54 -0.03 0.00 -0.03 0.00 0.00 54.58 50.84 2fnj n ASN 85 Cb 1.03 -1.22 -0.02 0.00 -0.61 0.00 0.00 39.78 38.97 2fnj n ASN 85 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2fnj s SER 86 N -0.85 -0.14 0.00 6.41 0.15 -1.26 -4.95 113.70 113.07 2fnj s SER 86 Ca 0.44 -0.06 0.00 0.00 0.70 0.00 0.00 55.95 57.03 2fnj s SER 86 Cb 0.20 0.19 0.00 0.00 -1.71 0.00 0.00 66.02 64.70 2fnj s SER 86 CO -0.14 -0.33 0.81 -1.20 1.20 0.00 0.00 173.24 173.59 2fnj n SER 87 N -0.25 1.57 -4.78 5.45 7.64 -1.26 -4.99 113.62 117.01 2fnj n SER 87 Ca -0.03 -1.65 -0.37 0.00 1.01 0.00 0.00 58.87 57.83 2fnj n SER 87 Cb 0.60 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.74 2fnj n SER 87 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2fnj s THR 88 N -0.65 4.14 -0.20 0.44 -4.23 -1.26 -4.93 115.64 108.95 2fnj s THR 88 Ca 0.00 1.76 -0.42 0.00 -1.18 0.00 0.00 61.69 61.85 2fnj s THR 88 Cb 0.00 -3.97 -0.19 0.00 1.34 0.00 0.00 72.50 69.68 2fnj s THR 88 CO 0.00 0.13 1.37 -0.62 -0.54 0.00 0.00 174.62 174.95 2fnj n GLU 89 N 0.50 0.25 -2.83 3.99 1.02 -1.26 -4.88 120.64 117.43 2fnj n GLU 89 Ca 0.02 0.09 -0.42 0.00 -0.02 0.00 0.00 57.16 56.83 2fnj n GLU 89 Cb 0.50 -1.63 -0.04 0.00 -0.02 0.00 0.00 31.44 30.26 2fnj n GLU 89 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2fnj s ILE 90 N 1.53 4.80 1.05 -3.67 1.01 -1.26 -5.05 121.20 119.61 2fnj s ILE 90 Ca 0.96 1.70 -0.16 0.00 0.00 0.00 0.00 60.65 63.16 2fnj s ILE 90 Cb -1.30 -4.17 0.22 0.00 0.01 0.00 0.00 42.46 37.22 2fnj s ILE 90 CO 0.66 -0.09 1.15 -2.16 0.00 0.00 0.00 174.94 174.50 2fnj s PRO 91 N 2.84 -0.02 0.21 2.79 0.04 -1.26 -5.01 135.00 134.59 2fnj s PRO 91 Ca 0.38 0.07 -0.29 0.00 0.04 0.00 0.00 61.00 61.20 2fnj s PRO 91 Cb -0.15 -1.72 -0.08 0.00 0.04 0.00 0.00 34.50 32.58 2fnj s PRO 91 CO 0.08 -2.94 0.90 -2.00 0.04 0.00 0.00 177.00 173.08 2fnj s GLU 92 N -5.38 4.77 -0.46 4.56 2.12 -1.26 -5.01 118.70 118.04 2fnj s GLU 92 Ca 0.69 1.40 -0.22 0.00 0.36 0.00 0.00 54.97 57.20 2fnj s GLU 92 Cb -0.12 -3.29 0.03 0.00 0.26 0.00 0.00 34.13 31.02 2fnj s GLU 92 CO 0.55 0.50 0.72 0.12 -0.54 0.00 0.00 175.26 176.61 2fnj s PHE 93 N -1.05 3.01 0.10 5.30 5.36 -1.26 -5.01 117.98 124.42 2fnj s PHE 93 Ca 0.40 -0.05 -0.31 0.00 -0.96 0.00 0.00 56.93 56.02 2fnj s PHE 93 Cb -0.25 -3.55 -0.09 0.00 -0.34 0.00 0.00 43.02 38.79 2fnj s PHE 93 CO 0.30 -0.98 1.61 -1.25 -1.46 0.00 0.00 175.22 173.44 2fnj s PRO 94 N 3.07 4.21 -0.22 10.12 0.04 -1.26 -5.01 135.00 145.95 2fnj s PRO 94 Ca 0.25 2.32 -0.03 0.00 0.04 0.00 0.00 61.00 63.57 2fnj s PRO 94 Cb -0.14 -3.46 0.07 0.00 0.04 0.00 0.00 34.50 31.02 2fnj s PRO 94 CO 0.19 -0.68 0.07 0.42 0.04 0.00 0.00 177.00 177.05 2fnj s ILE 95 N 2.14 0.29 0.27 0.56 1.01 -1.26 -5.13 121.20 119.08 2fnj s ILE 95 Ca 0.72 -0.57 -0.29 0.00 0.00 0.00 0.00 60.65 60.51 2fnj s ILE 95 Cb -0.40 -0.96 -0.10 0.00 0.01 0.00 0.00 42.46 41.01 2fnj s ILE 95 CO 0.32 -0.37 1.28 0.00 0.00 0.00 0.00 174.94 176.17 2fnj s ALA 96 N 1.95 3.50 0.41 9.38 0.00 -1.26 -4.89 121.76 130.85 2fnj s ALA 96 Ca 0.03 1.15 0.21 0.00 0.00 0.00 0.00 51.96 53.34 2fnj s ALA 96 Cb -0.17 -3.46 1.17 0.00 0.00 0.00 0.00 23.12 20.67 2fnj s ALA 96 CO -0.15 -0.52 1.77 -1.35 0.00 0.00 0.00 175.76 175.50 2fnj h PRO 97 N 4.25 0.32 -0.73 0.00 0.11 -2.00 -1.54 132.00 132.41 2fnj h PRO 97 Ca -0.47 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.63 2fnj h PRO 97 Cb 1.22 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 32.22 2fnj h PRO 97 CO 0.70 0.21 0.48 0.93 -0.21 0.00 0.00 178.00 180.12 2fnj h GLU 98 N 0.33 0.97 0.00 1.05 3.07 -2.06 -3.08 114.58 114.86 2fnj h GLU 98 Ca 0.60 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 59.40 2fnj h GLU 98 Cb 1.64 -0.22 0.00 0.00 -0.84 0.00 0.00 28.75 29.34 2fnj h GLU 98 CO -0.28 0.64 -1.19 1.51 -1.40 0.00 0.00 179.01 178.29 2fnj n ILE 99 N -4.42 0.08 -0.31 3.13 3.06 -0.61 -4.61 119.36 115.68 2fnj n ILE 99 Ca 0.08 -0.21 0.17 0.00 -2.50 0.00 0.00 62.75 60.28 2fnj n ILE 99 Cb 0.03 0.41 0.36 0.00 0.54 0.00 0.00 39.64 40.98 2fnj n ILE 99 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2fnj h ALA 100 N 2.59 1.53 -0.21 1.51 0.00 -1.38 0.21 119.26 123.51 2fnj h ALA 100 Ca 0.00 0.21 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 2fnj h ALA 100 Cb 0.71 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 2fnj h ALA 100 CO 0.00 -0.50 -0.14 1.25 0.00 0.00 0.00 179.25 179.87 2fnj h LEU 101 N 0.26 0.48 -0.62 0.00 5.85 -1.81 -1.11 115.31 118.36 2fnj h LEU 101 Ca 0.62 -0.44 -0.12 0.00 0.84 0.00 0.00 57.88 58.78 2fnj h LEU 101 Cb 1.31 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.20 2fnj h LEU 101 CO -0.64 0.81 -0.18 -0.33 -0.34 0.00 0.00 178.44 177.76 2fnj h GLU 102 N 0.14 0.90 -0.77 1.25 5.08 -1.62 -2.39 114.58 117.17 2fnj h GLU 102 Ca 0.04 -0.35 -0.04 0.00 -1.00 0.00 0.00 59.36 58.00 2fnj h GLU 102 Cb 0.65 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.82 2fnj h GLU 102 CO 0.04 1.00 0.31 1.25 -1.00 0.00 0.00 179.01 180.61 2fnj h LEU 103 N 0.79 1.06 -0.31 1.33 6.46 -0.59 -1.52 115.31 122.52 2fnj h LEU 103 Ca 0.11 -0.16 -0.02 0.00 -0.12 0.00 0.00 57.88 57.69 2fnj h LEU 103 Cb 0.72 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 40.37 2fnj h LEU 103 CO 0.06 0.94 0.10 0.25 -0.62 0.00 0.00 178.44 179.17 2fnj h LEU 104 N 1.12 0.44 -1.13 2.25 6.46 -0.97 0.20 115.31 123.69 2fnj h LEU 104 Ca 0.26 -0.19 -0.04 0.00 -0.12 0.00 0.00 57.88 57.78 2fnj h LEU 104 Cb 0.21 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 40.00 2fnj h LEU 104 CO -0.02 0.52 0.16 0.24 -0.62 0.00 0.00 178.44 178.72 2fnj h MET 105 N 0.34 0.77 -0.25 1.25 2.86 -1.19 -0.46 114.93 118.26 2fnj h MET 105 Ca 0.10 -0.14 -0.11 0.00 -2.06 0.00 0.00 59.70 57.49 2fnj h MET 105 Cb 0.23 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 31.76 2fnj h MET 105 CO -0.00 0.67 -0.29 0.00 1.06 0.00 0.00 176.91 178.35 2fnj h ALA 106 N 1.42 0.37 -0.75 6.32 0.00 -0.92 -2.09 119.26 123.61 2fnj h ALA 106 Ca 0.17 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 2fnj h ALA 106 Cb 0.23 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 2fnj h ALA 106 CO -0.01 0.38 0.42 0.00 0.00 0.00 0.00 179.25 180.04 2fnj h ALA 107 N 0.67 0.96 -0.30 0.00 0.00 -0.16 0.12 119.26 120.55 2fnj h ALA 107 Ca 0.03 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2fnj h ALA 107 Cb 0.86 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2fnj h ALA 107 CO 0.07 0.47 0.13 -0.91 0.00 0.00 0.00 179.25 179.01 2fnj h ASN 108 N 1.04 0.40 -0.76 0.00 -0.26 -1.07 0.21 115.58 115.13 2fnj h ASN 108 Ca 0.27 -0.14 -0.05 0.00 -0.56 0.00 0.00 56.30 55.81 2fnj h ASN 108 Cb 0.02 -0.10 -0.03 0.00 -1.06 0.00 0.00 38.32 37.15 2fnj h ASN 108 CO -0.04 0.43 0.28 0.15 -1.06 0.00 0.00 177.43 177.18 2fnj h PHE 109 N 0.34 1.19 -0.00 1.19 3.57 -0.98 -2.83 116.94 119.42 2fnj h PHE 109 Ca 0.10 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2fnj h PHE 109 Cb 0.15 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 38.54 2fnj h PHE 109 CO -0.01 0.91 -0.30 1.28 -2.23 0.00 0.00 178.31 177.96 2fnj n LEU 110 N -4.27 0.31 -3.29 0.59 4.77 0.38 -4.71 117.00 110.80 2fnj n LEU 110 Ca 0.07 0.19 -0.08 0.00 -0.03 0.00 0.00 56.01 56.15 2fnj n LEU 110 Cb 0.20 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 2fnj n LEU 110 CO 0.41 0.08 0.16 -0.67 -1.33 0.00 0.00 177.39 176.04 2fnj n ASP 111 N -1.49 -6.89 0.00 -1.43 2.03 0.71 -1.96 116.55 107.52 2fnj n ASP 111 Ca 0.06 -0.36 0.00 0.00 0.52 0.00 0.00 54.79 55.01 2fnj n ASP 111 Cb 0.34 -4.25 0.00 0.00 -0.72 0.00 0.00 41.12 36.49 2fnj n ASP 111 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28