#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fvj h LEU 2 N 0.00 0.34 -1.50 0.00 5.85 -1.06 0.36 115.31 119.30 3fvj h LEU 2 Ca 0.00 0.13 -0.05 0.00 0.84 0.00 0.00 57.88 58.80 3fvj h LEU 2 Cb 0.00 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 3fvj h LEU 2 CO 0.00 0.06 -0.20 4.11 -0.34 0.00 0.00 178.44 182.08 3fvj h TRP 3 N 0.45 0.08 -0.01 1.25 5.08 -2.00 -2.08 115.95 118.72 3fvj h TRP 3 Ca 0.50 -0.01 -0.16 0.00 1.08 0.00 0.00 58.89 60.30 3fvj h TRP 3 Cb 0.87 -0.02 -0.02 0.00 -3.00 0.00 0.00 29.16 26.99 3fvj h TRP 3 CO -0.14 0.27 -0.75 1.96 -1.28 0.00 0.00 178.44 178.50 3fvj h GLN 4 N 0.07 0.09 -0.50 0.12 4.20 -1.35 -2.67 115.11 115.06 3fvj h GLN 4 Ca 0.01 -0.08 -0.12 0.00 0.06 0.00 0.00 58.65 58.52 3fvj h GLN 4 Cb 0.39 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.18 3fvj h GLN 4 CO 0.03 0.79 -0.14 0.35 -0.67 0.00 0.00 178.83 179.19 3fvj h PHE 5 N 0.06 1.11 -0.35 2.96 3.57 -0.70 -0.20 116.94 123.38 3fvj h PHE 5 Ca -0.02 -0.24 -0.07 0.00 3.53 0.00 0.00 57.97 61.17 3fvj h PHE 5 Cb 1.32 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 39.77 3fvj h PHE 5 CO 0.01 1.05 -0.08 0.00 -2.23 0.00 0.00 178.31 177.07 3fvj h ARG 6 N 0.85 0.59 -0.53 1.11 3.08 -1.38 -2.02 114.38 116.08 3fvj h ARG 6 Ca 0.13 -0.16 -0.11 0.00 0.07 0.00 0.00 59.98 59.90 3fvj h ARG 6 Cb 0.71 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.67 3fvj h ARG 6 CO 0.05 0.67 -0.12 0.77 -1.07 0.00 0.00 179.97 180.28 3fvj h SER 7 N 0.55 1.01 -0.95 7.04 0.02 -1.10 -2.43 113.55 117.68 3fvj h SER 7 Ca 0.11 -0.36 0.06 0.00 -0.84 0.00 0.00 61.79 60.76 3fvj h SER 7 Cb 0.47 -0.28 -0.06 0.00 0.14 0.00 0.00 62.40 62.67 3fvj h SER 7 CO 0.03 1.13 0.62 0.24 -1.14 0.00 0.00 176.83 177.71 3fvj h MET 8 N 0.88 1.10 -0.47 3.45 2.86 -0.59 -0.94 114.93 121.22 3fvj h MET 8 Ca 0.13 -0.07 -0.05 0.00 -2.06 0.00 0.00 59.70 57.66 3fvj h MET 8 Cb 0.68 -0.25 -0.02 0.00 0.06 0.00 0.00 31.60 32.08 3fvj h MET 8 CO 0.05 0.73 0.10 0.82 1.06 0.00 0.00 176.91 179.67 3fvj h ILE 9 N 1.13 1.24 -0.28 -1.22 2.04 -1.06 -1.64 117.51 117.72 3fvj h ILE 9 Ca 0.40 -0.85 -0.05 0.00 1.00 0.00 0.00 64.86 65.36 3fvj h ILE 9 Cb 0.14 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 3fvj h ILE 9 CO -0.15 0.30 -0.02 0.11 0.00 0.00 0.00 178.15 178.39 3fvj h LYS 10 N 0.64 0.43 0.38 2.37 1.57 -0.91 0.35 116.57 121.40 3fvj h LYS 10 Ca 0.15 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 3fvj h LYS 10 Cb 0.34 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.59 3fvj h LYS 10 CO 0.00 0.48 -0.18 0.00 -0.57 0.00 0.00 179.45 179.18 3fvj h ALA 12 N -0.08 1.00 -2.59 0.00 0.00 -1.15 -3.32 119.26 113.13 3fvj h ALA 12 Ca -0.05 -0.24 -0.60 0.00 0.00 0.00 0.00 54.91 54.02 3fvj h ALA 12 Cb 0.47 -0.04 -0.39 0.00 0.00 0.00 0.00 17.79 17.83 3fvj h ALA 12 CO 0.09 0.33 -0.86 0.42 0.00 0.00 0.00 179.25 179.22 3fvj s ILE 13 N -3.60 0.91 0.27 0.00 1.01 0.10 -4.88 121.20 115.01 3fvj s ILE 13 Ca 0.01 -2.85 -0.05 0.00 0.00 0.00 0.00 60.65 57.76 3fvj s ILE 13 Cb 0.10 -1.62 0.42 0.00 0.01 0.00 0.00 42.46 41.37 3fvj s ILE 13 CO 0.65 -1.13 1.48 -2.65 0.00 0.00 0.00 174.94 173.28 3fvj n PRO 14 N 2.88 -0.08 0.08 2.79 -0.02 -0.79 -1.11 135.00 138.75 3fvj n PRO 14 Ca 0.24 1.45 0.13 0.00 -2.02 0.00 0.00 63.50 63.30 3fvj n PRO 14 Cb 0.43 -2.22 0.46 0.00 -0.02 0.00 0.00 33.50 32.16 3fvj n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fvj n GLY 15 N -1.56 -1.54 3.62 -1.23 0.00 -1.26 -4.93 105.19 98.29 3fvj n GLY 15 Ca 0.17 -0.03 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 3fvj n GLY 15 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3fvj n SER 16 N -2.02 0.55 -3.53 1.61 3.41 -0.26 -4.98 113.62 108.40 3fvj n SER 16 Ca 0.05 0.70 -0.27 0.00 -0.26 0.00 0.00 58.87 59.09 3fvj n SER 16 Cb 0.36 -1.40 -0.09 0.00 -0.26 0.00 0.00 64.21 62.81 3fvj n SER 16 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3fvj n HIS 17 N -2.33 2.37 -0.04 7.33 8.25 -1.26 -4.87 115.22 124.67 3fvj n HIS 17 Ca 0.13 -4.01 -0.01 0.00 -0.26 0.00 0.00 57.72 53.57 3fvj n HIS 17 Cb 0.49 -0.45 -0.01 0.00 1.12 0.00 0.00 29.99 31.14 3fvj n HIS 17 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 3fvj n PRO 18 N 1.50 -0.04 0.04 -0.41 -0.02 -1.26 -0.05 135.00 134.77 3fvj n PRO 18 Ca 0.25 0.36 -0.11 0.00 -2.02 0.00 0.00 63.50 61.98 3fvj n PRO 18 Cb 0.42 -0.53 -0.04 0.00 -0.02 0.00 0.00 33.50 33.33 3fvj n PRO 18 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3fvj h LEU 19 N 0.00 -0.61 -0.60 2.45 7.12 -1.95 0.42 115.31 122.14 3fvj h LEU 19 Ca 0.01 0.09 -0.10 0.00 0.13 0.00 0.00 57.88 58.01 3fvj h LEU 19 Cb 0.03 0.26 -0.02 0.00 -0.53 0.00 0.00 40.66 40.40 3fvj h LEU 19 CO -0.08 -0.27 -0.03 -0.03 -0.13 0.00 0.00 178.44 177.90 3fvj h MET 20 N -0.31 1.07 0.10 1.25 4.05 -1.50 -2.91 114.93 116.69 3fvj h MET 20 Ca 0.07 -0.36 -0.21 0.00 -0.28 0.00 0.00 59.70 58.92 3fvj h MET 20 Cb 0.41 -0.09 0.00 0.00 -0.80 0.00 0.00 31.60 31.12 3fvj h MET 20 CO -0.21 1.06 -1.06 -0.44 0.23 0.00 0.00 176.91 176.49 3fvj h ASP 21 N 0.97 0.34 -0.47 1.39 3.32 -0.33 -3.40 116.42 118.24 3fvj h ASP 21 Ca 0.17 -0.87 0.00 0.00 0.02 0.00 0.00 57.03 56.34 3fvj h ASP 21 Cb 0.60 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.04 3fvj h ASP 21 CO 0.04 1.47 0.00 0.49 -1.72 0.00 0.00 179.24 179.52 3fvj n PHE 22 N -4.10 0.61 -4.31 4.55 3.72 0.13 -4.84 117.46 113.21 3fvj n PHE 22 Ca -0.20 -0.33 -0.35 0.00 -0.05 0.00 0.00 57.45 56.51 3fvj n PHE 22 Cb 0.81 -0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 39.26 3fvj n PHE 22 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 3fvj s ASN 23 N -1.27 5.30 -0.93 4.37 3.84 -1.10 -4.44 114.94 120.71 3fvj s ASN 23 Ca 0.39 0.13 -0.04 0.00 0.21 0.00 0.00 52.86 53.55 3fvj s ASN 23 Cb 0.22 -1.59 -0.05 0.00 -0.55 0.00 0.00 41.25 39.28 3fvj s ASN 23 CO 0.30 0.34 0.81 -3.20 -2.79 0.00 0.00 177.10 172.56 3fvj n ASN 24 N 2.41 -5.41 -3.92 -4.21 5.15 0.31 -4.85 115.26 104.74 3fvj n ASN 24 Ca -0.18 -0.60 -0.20 0.00 -0.60 0.00 0.00 54.58 53.00 3fvj n ASN 24 Cb 0.53 -4.58 -0.16 0.00 -0.53 0.00 0.00 39.78 35.05 3fvj n ASN 24 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 3fvj s TYR 25 N -3.33 0.76 0.00 1.20 6.14 -0.14 -1.39 117.35 120.59 3fvj s TYR 25 Ca 0.34 -0.20 0.00 0.00 0.64 0.00 0.00 57.07 57.84 3fvj s TYR 25 Cb -0.04 -0.63 0.00 0.00 0.42 0.00 0.00 41.96 41.70 3fvj s TYR 25 CO 0.64 -0.16 0.00 0.41 0.64 0.00 0.00 175.55 177.08 3fvj n GLY 26 N 3.80 2.25 0.02 8.97 0.00 0.03 -1.87 105.19 118.39 3fvj n GLY 26 Ca -0.23 -0.45 0.07 0.00 0.00 0.00 0.00 46.02 45.41 3fvj n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fvj n TYR 28 N -2.29 0.00 -2.60 0.00 4.01 -1.25 -3.70 117.16 111.33 3fvj n TYR 28 Ca -0.08 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.23 3fvj n TYR 28 Cb 0.62 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.65 3fvj n TYR 28 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3fvj n GLY 30 N 5.34 -0.53 3.65 0.00 0.00 -1.26 0.11 105.19 112.51 3fvj n GLY 30 Ca 0.48 -0.90 -0.43 0.00 0.00 0.00 0.00 46.02 45.18 3fvj n GLY 30 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3fvj s LEU 31 N 0.00 4.06 0.00 0.99 2.96 -1.26 -4.86 118.68 120.57 3fvj s LEU 31 Ca 0.00 1.29 0.00 0.00 -0.22 0.00 0.00 54.13 55.20 3fvj s LEU 31 Cb 0.00 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.15 3fvj s LEU 31 CO 0.00 -0.72 0.00 0.61 -1.32 0.00 0.00 176.35 174.92 3fvj n GLY 32 N 3.46 0.92 0.00 7.98 0.00 -1.26 -5.01 105.19 111.28 3fvj n GLY 32 Ca 0.12 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.42 3fvj n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fvj n GLY 33 N 0.00 -1.75 3.50 -0.02 0.00 -1.26 -4.61 105.19 101.05 3fvj n GLY 33 Ca 0.00 -1.11 -0.09 0.00 0.00 0.00 0.00 46.02 44.81 3fvj n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fvj s SER 34 N -1.60 -0.43 0.68 1.61 1.04 -1.24 -5.06 113.70 108.70 3fvj s SER 34 Ca 0.00 -0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.38 3fvj s SER 34 Cb 0.00 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.61 3fvj s SER 34 CO 0.00 -0.81 0.00 0.61 0.98 0.00 0.00 173.24 174.02 3fvj n GLY 35 N -0.32 0.38 3.70 7.32 0.00 -1.22 -4.78 105.19 110.27 3fvj n GLY 35 Ca -0.12 -0.87 -0.33 0.00 0.00 0.00 0.00 46.02 44.71 3fvj n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fvj s THR 36 N 0.00 4.25 0.47 2.61 2.01 -1.26 -5.08 115.64 118.64 3fvj s THR 36 Ca 0.00 -0.56 -0.24 0.00 0.31 0.00 0.00 61.69 61.21 3fvj s THR 36 Cb 0.00 -2.90 -0.08 0.00 0.01 0.00 0.00 72.50 69.53 3fvj s THR 36 CO 0.00 0.38 1.28 -2.65 -0.69 0.00 0.00 174.62 172.94 3fvj n PRO 37 N 1.40 1.81 0.16 4.92 -0.02 -1.26 -4.85 135.00 137.16 3fvj n PRO 37 Ca -0.15 0.65 0.12 0.00 -2.02 0.00 0.00 63.50 62.11 3fvj n PRO 37 Cb 0.53 -2.43 0.16 0.00 -0.02 0.00 0.00 33.50 31.74 3fvj n PRO 37 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 3fvj h VAL 38 N 1.80 0.00 -2.63 -1.45 -1.51 -1.94 -3.47 116.25 107.06 3fvj h VAL 38 Ca -0.49 -0.86 0.08 0.00 -1.23 0.00 0.00 66.70 64.20 3fvj h VAL 38 Cb 1.30 1.69 -0.01 0.00 -2.13 0.00 0.00 31.29 32.14 3fvj h VAL 38 CO 0.58 0.00 0.44 -0.90 -1.23 0.00 0.00 177.57 176.46 3fvj n ASP 39 N -2.76 -1.78 -0.10 4.19 5.68 -1.26 -5.02 116.55 115.51 3fvj n ASP 39 Ca 0.03 -2.06 -0.06 0.00 -0.50 0.00 0.00 54.79 52.20 3fvj n ASP 39 Cb 0.51 2.92 0.00 0.00 -1.14 0.00 0.00 41.12 43.41 3fvj n ASP 39 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3fvj h GLU 40 N 0.00 -0.14 -0.14 0.11 5.08 -1.94 -0.05 114.58 117.51 3fvj h GLU 40 Ca -0.27 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.14 3fvj h GLU 40 Cb 1.11 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.35 3fvj h GLU 40 CO 0.35 -0.09 -0.09 1.25 -1.00 0.00 0.00 179.01 179.43 3fvj h LEU 41 N -0.14 -0.29 -1.38 1.33 5.85 -1.89 0.28 115.31 119.07 3fvj h LEU 41 Ca 0.18 0.07 0.08 0.00 0.84 0.00 0.00 57.88 59.04 3fvj h LEU 41 Cb 0.42 0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.56 3fvj h LEU 41 CO -0.45 -0.12 0.49 -0.78 -0.34 0.00 0.00 178.44 177.23 3fvj h ASP 42 N -0.09 0.65 0.19 1.25 3.58 -1.76 -0.03 116.42 120.21 3fvj h ASP 42 Ca 0.08 0.01 -0.13 0.00 0.42 0.00 0.00 57.03 57.41 3fvj h ASP 42 Cb 0.21 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.12 3fvj h ASP 42 CO -0.20 0.41 -0.49 -0.09 -2.88 0.00 0.00 179.24 175.99 3fvj h ARG 43 N 0.73 0.34 -1.00 0.28 2.43 0.17 -1.44 114.38 115.90 3fvj h ARG 43 Ca 0.33 -0.19 0.03 0.00 -0.81 0.00 0.00 59.98 59.34 3fvj h ARG 43 Cb 0.34 0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 29.85 3fvj h ARG 43 CO -0.12 0.76 0.66 0.00 -1.51 0.00 0.00 179.97 179.76 3fvj h GLU 46 N 0.64 0.75 -0.94 0.00 4.81 -0.59 -1.03 114.58 118.22 3fvj h GLU 46 Ca 0.08 -0.11 0.01 0.00 -0.13 0.00 0.00 59.36 59.21 3fvj h GLU 46 Cb 0.78 -0.14 -0.05 0.00 0.63 0.00 0.00 28.75 29.98 3fvj h GLU 46 CO 0.06 0.63 0.62 1.15 -0.73 0.00 0.00 179.01 180.74 3fvj h THR 47 N 0.70 1.24 -0.61 0.32 2.02 -0.76 0.44 112.91 116.25 3fvj h THR 47 Ca 0.18 -0.44 -0.02 0.00 0.77 0.00 0.00 66.41 66.89 3fvj h THR 47 Cb 0.12 -0.15 -0.03 0.00 -1.74 0.00 0.00 68.15 66.36 3fvj h THR 47 CO -0.02 0.24 0.30 -0.74 0.37 0.00 0.00 175.52 175.67 3fvj h HIS 48 N 1.28 0.88 -0.04 3.16 -0.00 -0.77 0.10 115.15 119.76 3fvj h HIS 48 Ca 0.35 -0.04 -0.00 0.00 -0.00 0.00 0.00 60.37 60.68 3fvj h HIS 48 Cb -0.15 -0.27 -0.00 0.00 -0.00 0.00 0.00 27.41 26.99 3fvj h HIS 48 CO -0.00 0.66 0.03 -0.44 -0.00 0.00 0.00 177.93 178.17 3fvj h ASP 49 N 0.84 0.05 -0.73 3.26 5.19 -0.42 -1.32 116.42 123.29 3fvj h ASP 49 Ca 0.21 -0.03 0.02 0.00 -0.62 0.00 0.00 57.03 56.61 3fvj h ASP 49 Cb 0.10 -0.01 -0.04 0.00 0.18 0.00 0.00 39.33 39.56 3fvj h ASP 49 CO -0.03 0.07 0.49 0.78 -3.12 0.00 0.00 179.24 177.43 3fvj h ASN 50 N 0.03 0.80 -0.73 6.45 2.35 -0.60 -0.25 115.58 123.63 3fvj h ASN 50 Ca 0.02 -0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 55.70 3fvj h ASN 50 Cb 0.03 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.17 3fvj h ASN 50 CO -0.00 0.56 0.24 0.00 -1.65 0.00 0.00 177.43 176.58 3fvj h TYR 52 N 1.08 0.26 -0.26 0.00 -1.99 -0.35 -2.01 116.97 113.69 3fvj h TYR 52 Ca 0.24 -0.08 -0.04 0.00 2.00 0.00 0.00 58.73 60.84 3fvj h TYR 52 Cb 0.30 -0.05 -0.01 0.00 2.00 0.00 0.00 36.73 38.96 3fvj h TYR 52 CO 0.02 0.66 -0.00 -0.09 -0.00 0.00 0.00 178.16 178.75 3fvj h ARG 53 N 0.17 0.46 -0.66 4.88 2.43 -0.35 -1.54 114.38 119.77 3fvj h ARG 53 Ca 0.01 -0.15 -0.01 0.00 -0.81 0.00 0.00 59.98 59.02 3fvj h ARG 53 Cb 0.92 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.40 3fvj h ARG 53 CO 0.07 0.63 0.38 -0.44 -1.51 0.00 0.00 179.97 179.10 3fvj h ASP 54 N 0.24 0.80 -0.35 -3.80 3.45 -0.87 -2.12 116.42 113.78 3fvj h ASP 54 Ca 0.07 -0.05 -0.04 0.00 0.43 0.00 0.00 57.03 57.44 3fvj h ASP 54 Cb 0.42 -0.20 -0.01 0.00 -0.56 0.00 0.00 39.33 38.97 3fvj h ASP 54 CO 0.01 0.64 0.08 0.00 -1.57 0.00 0.00 179.24 178.40 3fvj h ALA 55 N 1.50 0.46 0.00 3.45 0.00 -1.07 -2.60 119.26 121.00 3fvj h ALA 55 Ca 0.24 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3fvj h ALA 55 Cb 0.00 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 3fvj h ALA 55 CO -0.04 0.14 -0.10 0.87 0.00 0.00 0.00 179.25 180.12 3fvj h LYS 56 N 0.41 0.00 -0.65 0.00 1.57 -0.88 -2.24 116.57 114.79 3fvj h LYS 56 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3fvj h LYS 56 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 3fvj h LYS 56 CO 0.00 0.10 0.00 0.09 -0.57 0.00 0.00 179.45 179.07 3fvj n ASN 57 N -3.73 3.47 -4.63 0.86 5.03 -0.84 -4.84 115.26 110.59 3fvj n ASN 57 Ca -0.02 -2.38 -0.40 0.00 0.87 0.00 0.00 54.58 52.64 3fvj n ASN 57 Cb 0.21 -0.51 -0.07 0.00 -1.02 0.00 0.00 39.78 38.38 3fvj n ASN 57 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3fvj s LEU 58 N -1.48 4.07 0.31 3.41 1.43 -0.84 -4.94 118.68 120.63 3fvj s LEU 58 Ca 0.33 0.63 0.00 0.00 -1.03 0.00 0.00 54.13 54.07 3fvj s LEU 58 Cb 0.23 -2.76 0.52 0.00 0.03 0.00 0.00 46.19 44.21 3fvj s LEU 58 CO 0.14 -0.31 1.93 0.44 0.23 0.00 0.00 176.35 178.78 3fvj h ASP 59 N 7.88 0.90 0.81 2.29 3.45 -1.89 -1.80 116.42 128.06 3fvj h ASP 59 Ca -0.29 -0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.17 3fvj h ASP 59 Cb 1.13 -0.20 0.00 0.00 -0.56 0.00 0.00 39.33 39.71 3fvj h ASP 59 CO 0.74 0.60 0.00 0.77 -1.57 0.00 0.00 179.24 179.78 3fvj h SER 60 N 1.03 0.00 -3.99 6.45 4.64 -1.96 -3.44 113.55 116.29 3fvj h SER 60 Ca 0.36 0.00 -0.69 0.00 -0.47 0.00 0.00 61.79 60.99 3fvj h SER 60 Cb 0.12 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 61.99 3fvj h SER 60 CO -0.12 0.00 -0.76 0.00 -0.87 0.00 0.00 176.83 175.08 3fvj s LYS 62 N -0.76 0.25 0.24 0.00 2.47 -1.26 -4.70 119.74 115.98 3fvj s LYS 62 Ca 0.12 -0.56 -0.19 0.00 -1.56 0.00 0.00 55.97 53.77 3fvj s LYS 62 Cb -0.11 -1.32 -0.08 0.00 -1.46 0.00 0.00 37.83 34.86 3fvj s LYS 62 CO 0.01 -0.98 0.74 -0.06 0.16 0.00 0.00 175.35 175.21 3fvj s PHE 63 N 2.04 3.62 0.25 4.03 0.40 -1.26 -4.98 117.98 122.09 3fvj s PHE 63 Ca 0.08 1.39 -0.31 0.00 -0.60 0.00 0.00 56.93 57.50 3fvj s PHE 63 Cb -0.16 -2.63 -0.13 0.00 0.51 0.00 0.00 43.02 40.61 3fvj s PHE 63 CO -0.33 0.30 1.46 -0.11 0.70 0.00 0.00 175.22 177.24 3fvj n LEU 64 N 0.59 3.44 -0.99 -0.37 7.94 -1.26 0.68 117.00 127.02 3fvj n LEU 64 Ca -0.01 1.14 -0.12 0.00 -1.11 0.00 0.00 56.01 55.91 3fvj n LEU 64 Cb 0.51 -1.47 -0.05 0.00 0.53 0.00 0.00 43.42 42.94 3fvj n LEU 64 CO 0.43 -0.32 -0.12 0.52 -1.11 0.00 0.00 177.39 176.79 3fvj n VAL 65 N 1.95 0.00 -3.05 1.96 0.31 -1.26 -1.17 118.33 117.07 3fvj n VAL 65 Ca 0.11 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 64.24 3fvj n VAL 65 Cb 0.33 -1.51 0.00 0.00 -0.91 0.00 0.00 33.84 31.76 3fvj n VAL 65 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 3fvj n ASP 66 N -1.01 -4.20 -3.96 4.52 9.92 0.21 -4.94 116.55 117.09 3fvj n ASP 66 Ca -0.12 -0.21 -0.31 0.00 -0.53 0.00 0.00 54.79 53.62 3fvj n ASP 66 Cb 0.57 -3.48 -0.15 0.00 -0.64 0.00 0.00 41.12 37.42 3fvj n ASP 66 CO 0.00 0.00 0.00 0.21 0.13 0.00 0.00 177.20 177.54 3fvj s ASN 67 N -2.53 4.09 0.57 -2.24 2.47 -0.32 -4.93 114.94 112.05 3fvj s ASN 67 Ca 0.27 -1.38 0.28 0.00 0.42 0.00 0.00 52.86 52.45 3fvj s ASN 67 Cb -0.14 -1.28 1.48 0.00 -1.45 0.00 0.00 41.25 39.86 3fvj s ASN 67 CO 0.34 -0.26 1.95 -0.65 -3.72 0.00 0.00 177.10 174.76 3fvj h PRO 68 N 7.89 0.00 0.00 0.43 0.11 -1.92 -0.83 132.00 137.68 3fvj h PRO 68 Ca -0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.95 3fvj h PRO 68 Cb 1.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3fvj h PRO 68 CO 0.44 0.00 0.00 1.88 -0.21 0.00 0.00 178.00 180.11 3fvj h TYR 69 N 0.00 0.00 0.00 0.65 0.05 -1.94 0.11 116.97 115.84 3fvj h TYR 69 Ca 0.23 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.01 3fvj h TYR 69 Cb 1.11 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.85 3fvj h TYR 69 CO 0.00 0.00 -0.42 0.25 -1.05 0.00 0.00 178.16 176.94 3fvj n THR 70 N -2.66 0.26 -2.56 -2.88 -2.24 -0.32 -0.44 114.28 103.45 3fvj n THR 70 Ca -0.02 -0.18 -0.43 0.00 -2.27 0.00 0.00 64.05 61.16 3fvj n THR 70 Cb 0.07 -0.15 -0.02 0.00 -2.10 0.00 0.00 70.33 68.13 3fvj n THR 70 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3fvj s GLU 71 N -3.10 3.74 0.01 -0.78 2.56 0.37 -4.77 118.70 116.73 3fvj s GLU 71 Ca 0.09 0.70 -0.22 0.00 0.00 0.00 0.00 54.97 55.54 3fvj s GLU 71 Cb 0.15 -3.91 -0.05 0.00 2.00 0.00 0.00 34.13 32.32 3fvj s GLU 71 CO 0.67 -1.36 0.65 0.45 -0.56 0.00 0.00 175.26 175.12 3fvj s SER 72 N 2.63 7.05 0.32 -1.70 0.15 -1.26 0.92 113.70 121.81 3fvj s SER 72 Ca 0.50 1.25 0.03 0.00 0.70 0.00 0.00 55.95 58.44 3fvj s SER 72 Cb -0.09 -2.40 -0.01 0.00 -1.71 0.00 0.00 66.02 61.81 3fvj s SER 72 CO 0.30 0.07 0.12 0.00 1.20 0.00 0.00 173.24 174.93 3fvj n TYR 73 N 2.76 0.09 -4.88 3.44 0.18 -1.26 -4.81 117.16 112.68 3fvj n TYR 73 Ca -0.05 -2.10 -0.33 0.00 1.88 0.00 0.00 57.90 57.30 3fvj n TYR 73 Cb 0.51 0.00 -0.14 0.00 -0.38 0.00 0.00 39.34 39.33 3fvj n TYR 73 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 3fvj s SER 74 N -3.00 3.86 0.18 9.48 0.15 -1.26 -4.89 113.70 118.23 3fvj s SER 74 Ca 0.17 -0.33 -0.13 0.00 0.70 0.00 0.00 55.95 56.36 3fvj s SER 74 Cb 0.01 -1.37 0.01 0.00 -1.71 0.00 0.00 66.02 62.95 3fvj s SER 74 CO 0.12 0.21 0.39 -0.72 1.20 0.00 0.00 173.24 174.44 3fvj s TYR 75 N 0.08 0.19 0.01 3.44 -0.85 -1.26 -1.84 117.35 117.11 3fvj s TYR 75 Ca -0.06 -0.54 -0.00 0.00 -0.52 0.00 0.00 57.07 55.94 3fvj s TYR 75 Cb -0.15 0.14 -0.01 0.00 0.38 0.00 0.00 41.96 42.32 3fvj s TYR 75 CO 0.05 -0.82 -0.02 -1.54 -1.52 0.00 0.00 175.55 171.70 3fvj s SER 76 N -2.93 0.15 -0.11 -0.18 1.04 -0.23 -4.94 113.70 106.50 3fvj s SER 76 Ca 0.14 -0.31 -0.01 0.00 0.48 0.00 0.00 55.95 56.25 3fvj s SER 76 Cb 0.01 0.07 -0.03 0.00 0.10 0.00 0.00 66.02 66.17 3fvj s SER 76 CO -0.01 -0.19 -0.06 0.00 0.98 0.00 0.00 173.24 173.96 3fvj s SER 78 N -0.23 1.58 -0.98 0.00 0.15 -0.07 -4.96 113.70 109.19 3fvj s SER 78 Ca 0.03 -0.68 -0.10 0.00 0.70 0.00 0.00 55.95 55.90 3fvj s SER 78 Cb -0.13 0.53 -0.02 0.00 -1.71 0.00 0.00 66.02 64.70 3fvj s SER 78 CO 0.03 -0.38 0.77 0.59 1.20 0.00 0.00 173.24 175.44 3fvj n ASN 79 N 5.31 -6.12 0.00 5.45 3.02 -1.26 -1.90 115.26 119.76 3fvj n ASN 79 Ca -0.02 -0.73 0.00 0.00 -0.03 0.00 0.00 54.58 53.80 3fvj n ASN 79 Cb 0.47 -3.95 0.00 0.00 -0.61 0.00 0.00 39.78 35.68 3fvj n ASN 79 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 3fvj n THR 80 N -3.21 0.00 -3.20 3.41 -1.04 -1.25 -4.95 114.28 104.04 3fvj n THR 80 Ca -0.10 0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 61.52 3fvj n THR 80 Cb 0.59 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 69.04 3fvj n THR 80 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 3fvj s GLU 81 N 0.00 4.29 -0.15 -2.82 2.56 -0.80 -4.10 118.70 117.69 3fvj s GLU 81 Ca 0.00 0.57 -0.08 0.00 0.00 0.00 0.00 54.97 55.46 3fvj s GLU 81 Cb 0.00 -3.50 -0.04 0.00 2.00 0.00 0.00 34.13 32.58 3fvj s GLU 81 CO 0.00 -0.03 0.13 0.42 -0.56 0.00 0.00 175.26 175.22 3fvj s ILE 82 N 1.22 5.44 -0.09 -3.70 1.01 -1.26 -0.89 121.20 122.93 3fvj s ILE 82 Ca 0.28 0.19 0.00 0.00 0.00 0.00 0.00 60.65 61.13 3fvj s ILE 82 Cb -0.16 -3.42 0.02 0.00 0.01 0.00 0.00 42.46 38.92 3fvj s ILE 82 CO 0.12 0.55 -0.07 -0.89 0.00 0.00 0.00 174.94 174.64 3fvj s THR 83 N -0.47 0.94 -0.13 2.92 2.01 -0.12 -4.99 115.64 115.80 3fvj s THR 83 Ca 0.12 -0.27 -0.23 0.00 0.31 0.00 0.00 61.69 61.62 3fvj s THR 83 Cb -0.12 -0.95 -0.03 0.00 0.01 0.00 0.00 72.50 71.42 3fvj s THR 83 CO 0.02 0.34 0.71 0.00 -0.69 0.00 0.00 174.62 175.00 3fvj s ASN 85 N 1.01 6.45 0.51 0.00 3.84 -0.77 -4.86 114.94 121.13 3fvj s ASN 85 Ca 0.35 2.74 0.34 0.00 0.21 0.00 0.00 52.86 56.50 3fvj s ASN 85 Cb -0.17 -2.58 1.83 0.00 -0.55 0.00 0.00 41.25 39.79 3fvj s ASN 85 CO 0.14 -0.96 2.05 0.77 -2.79 0.00 0.00 177.10 176.31 3fvj h SER 86 N 7.84 0.00 -0.05 -4.21 4.64 -1.94 -1.94 113.55 117.89 3fvj h SER 86 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 3fvj h SER 86 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3fvj h SER 86 CO 0.94 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 177.19 3fvj n LYS 87 N -2.73 1.43 -2.16 4.77 5.02 -1.26 -4.86 118.16 118.37 3fvj n LYS 87 Ca -0.02 -0.64 -0.37 0.00 -2.02 0.00 0.00 58.31 55.26 3fvj n LYS 87 Cb 0.08 -1.43 0.00 0.00 -0.02 0.00 0.00 35.03 33.66 3fvj n LYS 87 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3fvj s ASN 88 N -1.81 5.93 0.80 4.39 0.01 -0.73 -4.99 114.94 118.54 3fvj s ASN 88 Ca 0.37 2.38 -0.11 0.00 -0.71 0.00 0.00 52.86 54.78 3fvj s ASN 88 Cb 0.19 -2.61 0.07 0.00 0.41 0.00 0.00 41.25 39.31 3fvj s ASN 88 CO 0.30 -1.09 1.09 0.54 -1.51 0.00 0.00 177.10 176.44 3fvj s ASN 89 N -1.33 4.41 0.30 -1.22 6.03 -1.26 -4.54 114.94 117.32 3fvj s ASN 89 Ca 0.66 1.39 0.01 0.00 -1.03 0.00 0.00 52.86 53.90 3fvj s ASN 89 Cb -0.30 -2.13 0.72 0.00 -3.03 0.00 0.00 41.25 36.51 3fvj s ASN 89 CO 0.36 -2.03 1.60 0.00 -2.03 0.00 0.00 177.10 175.00 3fvj h ALA 90 N -1.13 1.18 -0.14 3.54 0.00 -1.96 0.52 119.26 121.27 3fvj h ALA 90 Ca -0.47 0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 3fvj h ALA 90 Cb 1.26 0.48 -0.00 0.00 0.00 0.00 0.00 17.79 19.53 3fvj h ALA 90 CO 0.58 -0.54 -0.07 0.00 0.00 0.00 0.00 179.25 179.22 3fvj h GLU 92 N -0.05 1.00 -0.72 0.00 5.08 -1.51 -1.90 114.58 116.48 3fvj h GLU 92 Ca 0.03 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 3fvj h GLU 92 Cb 0.53 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 3fvj h GLU 92 CO 0.02 0.71 0.37 0.00 -1.00 0.00 0.00 179.01 179.11 3fvj h ALA 93 N 1.23 0.93 -0.44 3.43 0.00 0.03 1.00 119.26 125.44 3fvj h ALA 93 Ca 0.26 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3fvj h ALA 93 Cb -0.03 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 3fvj h ALA 93 CO -0.05 0.47 0.27 0.35 0.00 0.00 0.00 179.25 180.29 3fvj h PHE 94 N 1.00 0.57 -0.43 0.00 3.04 -0.84 -0.67 116.94 119.62 3fvj h PHE 94 Ca 0.25 0.00 -0.08 0.00 3.98 0.00 0.00 57.97 62.12 3fvj h PHE 94 Cb 0.08 -0.19 -0.01 0.00 2.56 0.00 0.00 35.95 38.39 3fvj h PHE 94 CO 0.00 0.39 -0.06 0.82 -2.02 0.00 0.00 178.31 177.44 3fvj h ILE 95 N 0.59 1.27 -0.82 1.41 1.08 -0.99 -1.89 117.51 118.15 3fvj h ILE 95 Ca 0.16 -1.14 0.06 0.00 -0.39 0.00 0.00 64.86 63.55 3fvj h ILE 95 Cb -0.02 1.14 -0.06 0.00 -3.07 0.00 0.00 36.82 34.81 3fvj h ILE 95 CO -0.03 0.39 0.50 0.00 -0.69 0.00 0.00 178.15 178.32 3fvj h ASN 97 N 0.92 0.69 -0.15 0.00 2.35 -0.98 0.31 115.58 118.73 3fvj h ASN 97 Ca 0.36 -0.34 0.02 0.00 -0.55 0.00 0.00 56.30 55.79 3fvj h ASN 97 Cb 0.17 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 3fvj h ASN 97 CO -0.17 1.05 0.03 0.00 -1.65 0.00 0.00 177.43 176.68 3fvj h ASP 99 N 0.09 0.50 -0.33 0.00 3.45 -1.13 -1.67 116.42 117.32 3fvj h ASP 99 Ca 0.07 -0.18 -0.00 0.00 0.43 0.00 0.00 57.03 57.35 3fvj h ASP 99 Cb 0.06 -0.13 -0.02 0.00 -0.56 0.00 0.00 39.33 38.68 3fvj h ASP 99 CO -0.09 0.54 0.20 -0.09 -1.57 0.00 0.00 179.24 178.23 3fvj h ARG 100 N 0.42 0.45 -0.38 3.56 2.43 -0.65 0.11 114.38 120.33 3fvj h ARG 100 Ca 0.12 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.20 3fvj h ARG 100 Cb 0.20 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 3fvj h ARG 100 CO -0.01 0.34 0.02 -0.91 -1.51 0.00 0.00 179.97 177.89 3fvj h ASN 101 N 0.43 0.55 -0.20 -3.80 2.35 -0.70 -1.47 115.58 112.74 3fvj h ASN 101 Ca 0.12 -0.11 -0.07 0.00 -0.55 0.00 0.00 56.30 55.69 3fvj h ASN 101 Cb -0.00 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.22 3fvj h ASN 101 CO -0.02 0.61 -0.16 0.00 -1.65 0.00 0.00 177.43 176.20 3fvj h ALA 102 N 1.46 0.29 -0.64 -0.83 0.00 -0.83 -0.17 119.26 118.54 3fvj h ALA 102 Ca 0.12 -0.33 0.02 0.00 0.00 0.00 0.00 54.91 54.71 3fvj h ALA 102 Cb 0.34 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 3fvj h ALA 102 CO 0.01 0.19 0.41 0.00 0.00 0.00 0.00 179.25 179.86 3fvj h ALA 103 N 0.66 0.82 -0.39 0.00 0.00 -0.50 0.55 119.26 120.39 3fvj h ALA 103 Ca 0.04 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 3fvj h ALA 103 Cb 0.69 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3fvj h ALA 103 CO 0.04 0.19 -0.05 0.82 0.00 0.00 0.00 179.25 180.25 3fvj h ILE 104 N 0.82 1.27 -0.90 0.00 2.04 -1.23 -2.22 117.51 117.28 3fvj h ILE 104 Ca 0.25 -1.11 0.03 0.00 1.00 0.00 0.00 64.86 65.03 3fvj h ILE 104 Cb -0.04 1.19 -0.05 0.00 -0.74 0.00 0.00 36.82 37.18 3fvj h ILE 104 CO -0.08 0.37 0.59 0.00 0.00 0.00 0.00 178.15 179.03 3fvj h PHE 106 N 1.14 0.94 0.00 0.00 -1.00 -0.68 -2.51 116.94 114.83 3fvj h PHE 106 Ca 0.36 -0.03 0.00 0.00 2.81 0.00 0.00 57.97 61.10 3fvj h PHE 106 Cb -0.01 -0.30 0.00 0.00 3.61 0.00 0.00 35.95 39.25 3fvj h PHE 106 CO -0.01 0.69 0.00 0.66 -1.61 0.00 0.00 178.31 178.03 3fvj h SER 107 N 0.92 0.00 -0.06 2.17 4.64 -0.73 -2.90 113.55 117.59 3fvj h SER 107 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 3fvj h SER 107 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 3fvj h SER 107 CO -0.03 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.22 3fvj n LYS 108 N -2.51 0.75 -3.91 4.77 5.02 -1.00 -5.00 118.16 116.27 3fvj n LYS 108 Ca 0.00 -1.20 -0.36 0.00 -2.02 0.00 0.00 58.31 54.73 3fvj n LYS 108 Cb 0.18 -1.18 -0.07 0.00 -0.02 0.00 0.00 35.03 33.95 3fvj n LYS 108 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3fvj s ALA 109 N -0.78 3.74 0.49 7.82 0.00 -0.98 -5.07 121.76 126.98 3fvj s ALA 109 Ca 0.12 -0.68 -0.23 0.00 0.00 0.00 0.00 51.96 51.17 3fvj s ALA 109 Cb 0.08 -1.96 -0.07 0.00 0.00 0.00 0.00 23.12 21.17 3fvj s ALA 109 CO 0.11 0.48 1.25 -2.30 0.00 0.00 0.00 175.76 175.30 3fvj n PRO 110 N 2.45 1.68 -3.62 0.00 -0.02 -1.26 -4.86 135.00 129.36 3fvj n PRO 110 Ca -0.19 0.61 -0.40 0.00 -2.02 0.00 0.00 63.50 61.50 3fvj n PRO 110 Cb 0.54 -2.41 -0.10 0.00 -0.02 0.00 0.00 33.50 31.52 3fvj n PRO 110 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3fvj s TYR 111 N -1.28 3.41 -0.53 6.00 6.14 -1.26 -4.50 117.35 125.32 3fvj s TYR 111 Ca 0.67 -1.81 -0.21 0.00 0.64 0.00 0.00 57.07 56.36 3fvj s TYR 111 Cb -0.46 -3.20 0.06 0.00 0.42 0.00 0.00 41.96 38.77 3fvj s TYR 111 CO 0.53 -0.93 0.74 -0.80 0.64 0.00 0.00 175.55 175.74 3fvj s ASN 112 N 2.29 6.25 0.56 4.32 0.01 -1.26 -4.92 114.94 122.20 3fvj s ASN 112 Ca 0.05 -0.79 0.27 0.00 -0.71 0.00 0.00 52.86 51.67 3fvj s ASN 112 Cb -0.24 -2.34 1.50 0.00 0.41 0.00 0.00 41.25 40.58 3fvj s ASN 112 CO -0.00 -1.04 2.02 0.11 -1.51 0.00 0.00 177.10 176.68 3fvj h LYS 113 N 9.13 0.00 0.00 -0.60 1.57 -1.98 -0.14 116.57 124.56 3fvj h LYS 113 Ca -0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 3fvj h LYS 113 Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.40 3fvj h LYS 113 CO 1.02 0.00 0.00 1.05 -0.57 0.00 0.00 179.45 180.95 3fvj h GLU 114 N 0.00 0.00 -0.06 3.15 9.09 -2.03 -2.14 114.58 122.60 3fvj h GLU 114 Ca 0.17 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.58 3fvj h GLU 114 Cb 0.80 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.90 3fvj h GLU 114 CO -0.00 0.00 0.00 0.72 0.05 0.00 0.00 179.01 179.78 3fvj n HIS 115 N -2.94 0.05 -2.58 2.06 8.25 -0.06 -4.81 115.22 115.19 3fvj n HIS 115 Ca -0.00 -0.02 -0.41 0.00 -0.26 0.00 0.00 57.72 57.02 3fvj n HIS 115 Cb 0.22 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.29 3fvj n HIS 115 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 3fvj s LYS 116 N -1.95 4.62 -1.29 -0.41 2.36 -0.81 -0.79 119.74 121.48 3fvj s LYS 116 Ca 0.34 1.64 -0.10 0.00 -2.55 0.00 0.00 55.97 55.30 3fvj s LYS 116 Cb 0.20 -3.31 -0.00 0.00 -1.05 0.00 0.00 37.83 33.67 3fvj s LYS 116 CO 0.32 0.11 0.58 -1.71 1.55 0.00 0.00 175.35 176.20 3fvj n ASN 117 N 2.54 -2.48 -4.81 1.43 2.85 -0.48 -4.92 115.26 109.39 3fvj n ASN 117 Ca 0.03 -1.03 -0.33 0.00 -0.11 0.00 0.00 54.58 53.14 3fvj n ASN 117 Cb 0.47 -3.11 -0.02 0.00 1.24 0.00 0.00 39.78 38.35 3fvj n ASN 117 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 3fvj s LEU 118 N -6.80 3.71 -1.28 1.20 2.96 -1.24 -4.94 118.68 112.28 3fvj s LEU 118 Ca 0.21 1.81 -0.19 0.00 -0.22 0.00 0.00 54.13 55.75 3fvj s LEU 118 Cb -0.08 -4.54 0.05 0.00 0.50 0.00 0.00 46.19 42.11 3fvj s LEU 118 CO 0.88 -0.83 1.77 -0.62 -1.32 0.00 0.00 176.35 176.22 3fvj s ASP 119 N -2.43 6.57 0.28 3.68 3.68 -1.26 -4.79 116.67 122.39 3fvj s ASP 119 Ca 0.64 -2.32 0.01 0.00 2.13 0.00 0.00 52.55 53.01 3fvj s ASP 119 Cb -0.14 -2.58 0.60 0.00 -1.45 0.00 0.00 42.92 39.34 3fvj s ASP 119 CO 0.26 -1.46 1.76 0.71 0.13 0.00 0.00 175.17 176.58 3fvj h THR 120 N 5.67 0.71 -0.29 1.71 1.35 -1.92 -0.76 112.91 119.39 3fvj h THR 120 Ca 0.41 -0.23 0.08 0.00 -0.55 0.00 0.00 66.41 66.13 3fvj h THR 120 Cb 0.88 -0.01 -0.01 0.00 -1.73 0.00 0.00 68.15 67.28 3fvj h THR 120 CO 1.42 0.12 0.39 0.50 -0.25 0.00 0.00 175.52 177.71 3fvj h LYS 121 N 0.66 0.00 0.00 4.72 3.64 -1.90 -0.69 116.57 123.00 3fvj h LYS 121 Ca 0.50 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 59.59 3fvj h LYS 121 Cb 0.74 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.51 3fvj h LYS 121 CO -0.38 0.00 -2.08 1.63 -2.27 0.00 0.00 179.45 176.35 3fvj n LYS 122 N -3.52 0.46 -0.31 1.90 5.02 -0.38 -4.75 118.16 116.59 3fvj n LYS 122 Ca 0.04 0.13 0.10 0.00 -2.02 0.00 0.00 58.31 56.57 3fvj n LYS 122 Cb 0.53 -1.33 0.27 0.00 -0.02 0.00 0.00 35.03 34.48 3fvj n LYS 122 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3fvj n TYR 123 N -3.27 0.82 -0.09 2.13 4.01 -0.70 -5.14 117.16 114.92 3fvj n TYR 123 Ca -0.35 -0.48 0.00 0.00 -0.16 0.00 0.00 57.90 56.91 3fvj n TYR 123 Cb 0.84 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.86 3fvj n TYR 123 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40