#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bnj n ASN 5 N 0.00 0.16 -4.85 4.38 6.94 -1.26 -4.80 115.26 115.84 1bnj n ASN 5 Ca 0.00 -1.89 -0.23 0.00 -0.02 0.00 0.00 54.58 52.44 1bnj n ASN 5 Cb 0.00 -0.18 -0.04 0.00 -2.36 0.00 0.00 39.78 37.20 1bnj n ASN 5 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1bnj s THR 6 N 0.00 4.63 0.21 5.53 -4.23 -1.26 0.05 115.64 120.57 1bnj s THR 6 Ca 0.07 -1.22 -0.10 0.00 -1.18 0.00 0.00 61.69 59.26 1bnj s THR 6 Cb 0.08 -3.46 0.15 0.00 1.34 0.00 0.00 72.50 70.61 1bnj s THR 6 CO -0.03 -0.27 1.86 -0.26 -0.54 0.00 0.00 174.62 175.38 1bnj h PHE 7 N 1.73 0.88 -0.25 3.99 0.04 -1.98 -0.75 116.94 120.60 1bnj h PHE 7 Ca -0.49 0.02 -0.13 0.00 2.80 0.00 0.00 57.97 60.18 1bnj h PHE 7 Cb 1.22 -0.29 -0.00 0.00 2.20 0.00 0.00 35.95 39.08 1bnj h PHE 7 CO 0.55 0.51 -0.33 -0.44 -0.60 0.00 0.00 178.31 177.99 1bnj h ASP 8 N 0.92 0.73 0.03 2.17 3.32 -1.98 -0.74 116.42 120.87 1bnj h ASP 8 Ca 0.29 -0.50 -0.00 0.00 0.02 0.00 0.00 57.03 56.83 1bnj h ASP 8 Cb -0.01 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.33 1bnj h ASP 8 CO -0.10 1.09 -0.01 1.23 -1.72 0.00 0.00 179.24 179.72 1bnj h GLY 9 N 0.39 -0.04 1.36 2.75 0.00 -1.96 0.20 103.07 105.77 1bnj h GLY 9 Ca 0.03 0.02 -0.16 0.00 0.00 0.00 0.00 47.33 47.22 1bnj h GLY 9 CO 0.08 -0.02 -0.47 -2.08 0.00 0.00 0.00 176.54 174.06 1bnj h VAL 10 N -0.10 1.30 -0.61 4.60 2.07 -1.15 -2.26 116.25 120.09 1bnj h VAL 10 Ca -0.00 -1.67 -0.03 0.00 0.82 0.00 0.00 66.70 65.82 1bnj h VAL 10 Cb 0.09 1.60 -0.03 0.00 -1.52 0.00 0.00 31.29 31.43 1bnj h VAL 10 CO 0.01 0.53 0.27 0.00 0.02 0.00 0.00 177.57 178.39 1bnj h ALA 11 N 0.93 0.79 -0.30 1.67 0.00 -0.77 -0.80 119.26 120.77 1bnj h ALA 11 Ca 0.03 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 1bnj h ALA 11 Cb 1.02 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1bnj h ALA 11 CO 0.10 0.38 -0.18 -0.44 0.00 0.00 0.00 179.25 179.10 1bnj h ASP 12 N 0.84 0.55 -0.16 0.00 3.32 -0.60 -2.20 116.42 118.16 1bnj h ASP 12 Ca 0.21 -0.17 -0.02 0.00 0.02 0.00 0.00 57.03 57.07 1bnj h ASP 12 Cb 0.16 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 1bnj h ASP 12 CO -0.02 0.74 0.02 0.22 -1.72 0.00 0.00 179.24 178.48 1bnj h TYR 13 N 0.50 0.29 -0.89 4.55 5.03 -1.07 -2.19 116.97 123.19 1bnj h TYR 13 Ca 0.08 -0.04 0.03 0.00 2.58 0.00 0.00 58.73 61.37 1bnj h TYR 13 Cb 0.60 -0.08 -0.05 0.00 1.55 0.00 0.00 36.73 38.75 1bnj h TYR 13 CO 0.02 0.46 0.58 -0.07 -1.32 0.00 0.00 178.16 177.83 1bnj h LEU 14 N 0.05 0.97 -0.86 2.82 3.38 -1.14 0.42 115.31 120.95 1bnj h LEU 14 Ca 0.05 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 1bnj h LEU 14 Cb 0.33 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1bnj h LEU 14 CO 0.00 0.68 -0.54 1.56 0.09 0.00 0.00 178.44 180.23 1bnj h GLN 15 N 1.14 0.00 0.03 1.13 4.20 -1.33 0.30 115.11 120.58 1bnj h GLN 15 Ca 0.35 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.99 1bnj h GLN 15 Cb -0.03 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.75 1bnj h GLN 15 CO -0.11 0.54 -0.33 1.15 -0.67 0.00 0.00 178.83 179.42 1bnj h THR 16 N 0.00 1.63 0.00 -0.54 2.02 -1.11 -3.40 112.91 111.50 1bnj h THR 16 Ca -0.01 -2.36 0.00 0.00 0.77 0.00 0.00 66.41 64.81 1bnj h THR 16 Cb 1.00 3.21 0.00 0.00 -1.74 0.00 0.00 68.15 70.63 1bnj h THR 16 CO 0.07 0.60 -1.04 -1.22 0.37 0.00 0.00 175.52 174.30 1bnj n TYR 17 N -4.48 0.00 -3.47 3.16 4.01 0.15 -4.99 117.16 111.53 1bnj n TYR 17 Ca -0.14 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.39 1bnj n TYR 17 Cb 0.58 -0.06 0.07 0.00 -0.31 0.00 0.00 39.34 39.61 1bnj n TYR 17 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1bnj n HIS 18 N -1.56 -2.57 -3.57 -0.72 8.25 0.09 -4.98 115.22 110.17 1bnj n HIS 18 Ca 0.03 0.91 -0.07 0.00 -0.26 0.00 0.00 57.72 58.32 1bnj n HIS 18 Cb 0.33 -4.61 -0.02 0.00 1.12 0.00 0.00 29.99 26.81 1bnj n HIS 18 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1bnj s LYS 19 N -6.15 0.94 0.56 -0.41 -2.85 -1.25 -5.06 119.74 105.52 1bnj s LYS 19 Ca 0.51 -0.41 -0.15 0.00 -1.00 0.00 0.00 55.97 54.92 1bnj s LYS 19 Cb -0.23 0.39 -0.05 0.00 -2.06 0.00 0.00 37.83 35.88 1bnj s LYS 19 CO 0.65 -0.42 1.02 -0.51 0.10 0.00 0.00 175.35 176.19 1bnj s LEU 20 N -2.63 3.52 1.14 2.77 1.43 -1.26 -4.09 118.68 119.56 1bnj s LEU 20 Ca 0.07 1.66 -0.14 0.00 -1.03 0.00 0.00 54.13 54.69 1bnj s LEU 20 Cb -0.01 -4.51 0.23 0.00 0.03 0.00 0.00 46.19 41.92 1bnj s LEU 20 CO -0.06 -0.89 0.73 -2.65 0.23 0.00 0.00 176.35 173.72 1bnj n PRO 21 N -1.93 -2.07 0.31 1.29 -0.02 -1.26 -4.88 135.00 126.44 1bnj n PRO 21 Ca 0.07 -0.58 0.20 0.00 -2.02 0.00 0.00 63.50 61.18 1bnj n PRO 21 Cb 0.53 -2.04 1.00 0.00 -0.02 0.00 0.00 33.50 32.98 1bnj n PRO 21 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1bnj h ASP 22 N -2.45 0.00 0.00 2.55 3.32 -1.95 -2.53 116.42 115.36 1bnj h ASP 22 Ca -0.58 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.47 1bnj h ASP 22 Cb 1.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.89 1bnj h ASP 22 CO 0.45 0.01 0.00 -0.46 -1.72 0.00 0.00 179.24 177.53 1bnj n ASN 23 N -3.18 0.00 -4.85 6.45 6.94 -1.26 -4.86 115.26 114.50 1bnj n ASN 23 Ca -0.02 -1.41 -0.35 0.00 -0.02 0.00 0.00 54.58 52.78 1bnj n ASN 23 Cb 0.16 0.00 -0.06 0.00 -2.36 0.00 0.00 39.78 37.52 1bnj n ASN 23 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1bnj s TYR 24 N -2.00 3.48 0.06 -2.53 2.02 -0.95 -1.41 117.35 116.02 1bnj s TYR 24 Ca 0.18 0.38 0.03 0.00 -0.37 0.00 0.00 57.07 57.30 1bnj s TYR 24 Cb 0.08 -1.85 -0.03 0.00 -0.40 0.00 0.00 41.96 39.77 1bnj s TYR 24 CO 0.14 0.65 -0.10 0.96 -1.57 0.00 0.00 175.55 175.62 1bnj s ILE 25 N -1.14 0.81 0.89 2.71 -4.36 0.17 -4.90 121.20 115.36 1bnj s ILE 25 Ca 0.20 -1.26 -0.12 0.00 -0.26 0.00 0.00 60.65 59.21 1bnj s ILE 25 Cb -0.12 -0.91 0.12 0.00 1.25 0.00 0.00 42.46 42.81 1bnj s ILE 25 CO 0.11 -0.36 1.14 0.42 0.24 0.00 0.00 174.94 176.48 1bnj s THR 26 N -1.54 2.13 0.13 8.37 -4.23 -1.17 -1.47 115.64 117.85 1bnj s THR 26 Ca -0.04 0.04 -0.19 0.00 -1.18 0.00 0.00 61.69 60.32 1bnj s THR 26 Cb -0.09 -2.82 -0.04 0.00 1.34 0.00 0.00 72.50 70.89 1bnj s THR 26 CO 0.01 -0.06 1.78 0.11 -0.54 0.00 0.00 174.62 175.92 1bnj h LYS 27 N -1.40 0.36 -0.42 3.99 1.57 -1.97 -0.67 116.57 118.03 1bnj h LYS 27 Ca -0.50 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.24 1bnj h LYS 27 Cb 1.32 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.53 1bnj h LYS 27 CO 0.62 0.25 0.18 0.66 -0.57 0.00 0.00 179.45 180.59 1bnj h SER 28 N 0.36 0.54 0.03 0.86 4.64 -1.99 0.10 113.55 118.09 1bnj h SER 28 Ca 0.10 -0.05 -0.19 0.00 -0.47 0.00 0.00 61.79 61.18 1bnj h SER 28 Cb -0.03 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 61.93 1bnj h SER 28 CO -0.02 0.48 -0.68 -0.33 -0.87 0.00 0.00 176.83 175.41 1bnj h GLU 29 N 0.60 0.60 -0.45 4.77 5.08 -1.78 -1.77 114.58 121.63 1bnj h GLU 29 Ca 0.15 -0.45 -0.04 0.00 -1.00 0.00 0.00 59.36 58.02 1bnj h GLU 29 Cb 0.10 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 1bnj h GLU 29 CO -0.02 1.07 0.11 0.00 -1.00 0.00 0.00 179.01 179.17 1bnj h ALA 30 N 0.82 0.59 -0.10 3.43 0.00 -0.80 -2.80 119.26 120.40 1bnj h ALA 30 Ca -0.02 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.73 1bnj h ALA 30 Cb 1.26 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.82 1bnj h ALA 30 CO 0.13 0.27 -0.31 1.96 0.00 0.00 0.00 179.25 181.30 1bnj h GLN 31 N 0.59 -0.39 -0.76 0.00 4.20 -0.66 0.93 115.11 119.03 1bnj h GLN 31 Ca 0.14 0.03 0.08 0.00 0.06 0.00 0.00 58.65 58.96 1bnj h GLN 31 Cb 0.31 0.09 -0.05 0.00 0.30 0.00 0.00 27.48 28.13 1bnj h GLN 31 CO 0.00 -0.26 0.50 0.00 -0.67 0.00 0.00 178.83 178.40 1bnj h ALA 32 N 0.40 1.75 0.00 3.87 0.00 -1.24 -1.20 119.26 122.84 1bnj h ALA 32 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1bnj h ALA 32 Cb 0.54 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1bnj h ALA 32 CO -0.32 0.11 0.00 1.28 0.00 0.00 0.00 179.25 180.32 1bnj n LEU 33 N -4.49 0.16 0.00 0.00 4.77 -0.67 -4.87 117.00 111.91 1bnj n LEU 33 Ca 0.12 0.53 0.00 0.00 -0.03 0.00 0.00 56.01 56.63 1bnj n LEU 33 Cb 0.29 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 1bnj n LEU 33 CO 0.33 -0.18 0.00 0.61 -1.33 0.00 0.00 177.39 176.82 1bnj n GLY 34 N 0.72 1.01 3.68 -0.72 0.00 -0.45 -4.89 105.19 104.54 1bnj n GLY 34 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 1bnj n GLY 34 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1bnj n TRP 35 N 0.00 2.58 -3.92 1.61 -0.00 0.23 -4.96 117.44 112.98 1bnj n TRP 35 Ca 0.00 -0.17 -0.31 0.00 -0.00 0.00 0.00 57.50 57.02 1bnj n TRP 35 Cb 0.00 -2.74 -0.15 0.00 -0.00 0.00 0.00 31.31 28.42 1bnj n TRP 35 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 177.69 177.77 1bnj s VAL 36 N 3.07 1.69 0.20 5.87 1.01 -1.26 -4.43 120.40 126.55 1bnj s VAL 36 Ca 0.84 -1.75 -0.16 0.00 0.00 0.00 0.00 61.98 60.90 1bnj s VAL 36 Cb -0.49 -2.15 0.20 0.00 0.00 0.00 0.00 36.38 33.94 1bnj s VAL 36 CO 0.39 -0.45 1.60 0.00 0.00 0.00 0.00 175.10 176.64 1bnj h ALA 37 N 7.84 0.23 0.00 5.51 0.00 -2.00 0.85 119.26 131.69 1bnj h ALA 37 Ca -0.11 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1bnj h ALA 37 Cb 1.03 0.63 0.00 0.00 0.00 0.00 0.00 17.79 19.46 1bnj h ALA 37 CO 0.47 -0.53 0.19 0.77 0.00 0.00 0.00 179.25 180.15 1bnj h SER 38 N -0.08 0.00 -0.32 0.00 0.02 -2.03 -0.84 113.55 110.29 1bnj h SER 38 Ca 0.28 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.23 1bnj h SER 38 Cb 0.52 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.06 1bnj h SER 38 CO -0.69 0.00 0.00 0.29 -1.14 0.00 0.00 176.83 175.29 1bnj n LYS 39 N -2.53 2.47 -4.29 3.45 5.02 0.29 -4.97 118.16 117.59 1bnj n LYS 39 Ca -0.02 -1.96 -0.34 0.00 -2.02 0.00 0.00 58.31 53.97 1bnj n LYS 39 Cb 0.23 -1.29 -0.06 0.00 -0.02 0.00 0.00 35.03 33.89 1bnj n LYS 39 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1bnj n GLY 40 N 0.66 -0.28 1.58 0.72 0.00 -0.32 -4.87 105.19 102.67 1bnj n GLY 40 Ca 0.12 0.14 0.09 0.00 0.00 0.00 0.00 46.02 46.37 1bnj n GLY 40 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1bnj n ASN 41 N -2.75 4.79 -0.13 1.61 6.94 -1.26 -3.95 115.26 120.52 1bnj n ASN 41 Ca -0.12 -2.48 -0.04 0.00 -0.02 0.00 0.00 54.58 51.92 1bnj n ASN 41 Cb 0.59 -0.58 0.02 0.00 -2.36 0.00 0.00 39.78 37.45 1bnj n ASN 41 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1bnj h LEU 42 N 4.02 -0.43 -2.39 -4.53 5.85 -1.88 -0.47 115.31 115.48 1bnj h LEU 42 Ca 0.00 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.85 1bnj h LEU 42 Cb 1.47 0.28 0.00 0.00 0.37 0.00 0.00 40.66 42.78 1bnj h LEU 42 CO 0.24 -0.15 0.00 0.00 -0.34 0.00 0.00 178.44 178.19 1bnj h ALA 43 N 1.42 1.00 0.08 1.25 0.00 -1.83 0.12 119.26 121.29 1bnj h ALA 43 Ca 0.21 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.85 1bnj h ALA 43 Cb 0.33 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1bnj h ALA 43 CO -0.46 0.00 -1.32 -0.44 0.00 0.00 0.00 179.25 177.04 1bnj h ASP 44 N 0.00 0.26 0.35 0.00 3.32 -1.42 -3.18 116.42 115.75 1bnj h ASP 44 Ca 0.00 -0.31 -0.12 0.00 0.02 0.00 0.00 57.03 56.61 1bnj h ASP 44 Cb 0.13 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 1bnj h ASP 44 CO 0.00 1.25 -1.76 1.33 -1.72 0.00 0.00 179.24 178.35 1bnj n VAL 45 N -3.41 0.72 -3.13 -1.35 0.24 -1.08 -4.70 118.33 105.63 1bnj n VAL 45 Ca -0.10 -0.64 -0.22 0.00 -2.04 0.00 0.00 64.34 61.35 1bnj n VAL 45 Cb 1.01 -0.36 -0.05 0.00 -1.47 0.00 0.00 33.84 32.97 1bnj n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1bnj n ALA 46 N -2.39 1.86 -1.65 2.33 0.00 0.38 -4.94 120.51 116.11 1bnj n ALA 46 Ca -0.11 -3.09 -0.46 0.00 0.00 0.00 0.00 53.44 49.78 1bnj n ALA 46 Cb 0.76 -0.89 -0.03 0.00 0.00 0.00 0.00 19.45 19.30 1bnj n ALA 46 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1bnj n PRO 47 N 1.48 1.82 -0.95 0.00 -0.02 -1.20 -1.76 135.00 134.37 1bnj n PRO 47 Ca 0.19 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 1bnj n PRO 47 Cb 0.54 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 1bnj n PRO 47 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1bnj n GLY 48 N 2.13 0.80 3.93 -1.23 0.00 -1.26 -5.04 105.19 104.52 1bnj n GLY 48 Ca 0.12 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.87 1bnj n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bnj s LYS 49 N -0.14 3.50 0.09 1.61 -0.14 -0.72 -4.82 119.74 119.11 1bnj s LYS 49 Ca 0.00 -0.40 0.06 0.00 -1.36 0.00 0.00 55.97 54.27 1bnj s LYS 49 Cb 0.00 -2.88 -0.03 0.00 -1.68 0.00 0.00 37.83 33.24 1bnj s LYS 49 CO 0.00 0.45 -0.17 -1.12 -0.76 0.00 0.00 175.35 173.75 1bnj s SER 50 N -3.12 2.02 0.12 2.83 0.01 -0.50 -4.82 113.70 110.24 1bnj s SER 50 Ca 0.37 -0.65 -0.30 0.00 1.31 0.00 0.00 55.95 56.68 1bnj s SER 50 Cb -0.11 -0.08 -0.06 0.00 0.21 0.00 0.00 66.02 65.97 1bnj s SER 50 CO 0.29 -0.03 1.09 -0.63 0.41 0.00 0.00 173.24 174.37 1bnj s ILE 51 N -1.26 4.13 -0.29 1.44 -1.09 -1.26 -0.66 121.20 122.22 1bnj s ILE 51 Ca 0.02 1.70 -0.39 0.00 -2.23 0.00 0.00 60.65 59.75 1bnj s ILE 51 Cb -0.10 -4.09 0.16 0.00 -1.58 0.00 0.00 42.46 36.85 1bnj s ILE 51 CO 0.03 0.23 1.39 -0.83 -1.23 0.00 0.00 174.94 174.53 1bnj s GLY 52 N 0.34 -0.20 0.00 6.18 0.00 -0.54 -0.31 107.32 112.78 1bnj s GLY 52 Ca 0.52 1.91 0.00 0.00 0.00 0.00 0.00 44.72 47.14 1bnj s GLY 52 CO 0.32 0.63 0.00 0.61 0.00 0.00 0.00 173.10 174.66 1bnj n GLY 53 N -0.02 0.71 3.87 0.20 0.00 0.59 -3.06 105.19 107.47 1bnj n GLY 53 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 1bnj n GLY 53 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1bnj s ASP 54 N -1.98 6.56 0.18 1.61 1.01 -1.23 -4.73 116.67 118.09 1bnj s ASP 54 Ca 0.00 1.20 -0.30 0.00 0.71 0.00 0.00 52.55 54.16 1bnj s ASP 54 Cb 0.00 -2.35 -0.09 0.00 1.01 0.00 0.00 42.92 41.49 1bnj s ASP 54 CO 0.00 -0.41 1.33 -0.63 0.21 0.00 0.00 175.17 175.67 1bnj s ILE 55 N -2.37 3.22 -0.22 0.77 1.01 -1.26 -0.30 121.20 122.04 1bnj s ILE 55 Ca 0.52 0.98 -0.07 0.00 0.00 0.00 0.00 60.65 62.08 1bnj s ILE 55 Cb -0.10 -3.62 -0.03 0.00 0.01 0.00 0.00 42.46 38.71 1bnj s ILE 55 CO 0.30 0.13 0.06 0.12 0.00 0.00 0.00 174.94 175.55 1bnj s PHE 56 N 0.31 3.12 0.07 3.97 5.36 -0.57 -4.85 117.98 125.39 1bnj s PHE 56 Ca 0.58 -0.28 -0.36 0.00 -0.96 0.00 0.00 56.93 55.92 1bnj s PHE 56 Cb -0.37 -2.18 -0.19 0.00 -0.34 0.00 0.00 43.02 39.94 1bnj s PHE 56 CO 0.37 -0.20 1.59 1.03 -1.46 0.00 0.00 175.22 176.55 1bnj h SER 57 N 7.72 -1.04 -2.58 6.13 0.87 -1.95 -3.37 113.55 119.34 1bnj h SER 57 Ca -0.37 0.04 -0.26 0.00 -1.23 0.00 0.00 61.79 59.98 1bnj h SER 57 Cb 1.18 0.28 0.02 0.00 -0.44 0.00 0.00 62.40 63.44 1bnj h SER 57 CO 0.61 -0.70 -0.36 -3.20 -0.53 0.00 0.00 176.83 172.64 1bnj n ASN 58 N -5.59 -4.29 -0.17 6.23 5.15 -1.26 -4.93 115.26 110.40 1bnj n ASN 58 Ca -0.15 -0.12 0.02 0.00 -0.60 0.00 0.00 54.58 53.73 1bnj n ASN 58 Cb 0.47 -3.27 0.29 0.00 -0.53 0.00 0.00 39.78 36.73 1bnj n ASN 58 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1bnj h ARG 59 N -0.57 0.88 -0.38 1.20 3.08 -2.00 -3.07 114.38 113.52 1bnj h ARG 59 Ca -0.32 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.67 1bnj h ARG 59 Cb 1.23 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 31.08 1bnj h ARG 59 CO 0.36 0.58 0.00 0.39 -1.07 0.00 0.00 179.97 180.23 1bnj n GLU 60 N -4.44 1.94 -1.95 0.04 1.02 -1.26 -4.94 120.64 111.05 1bnj n GLU 60 Ca 0.07 -1.46 -0.19 0.00 -0.02 0.00 0.00 57.16 55.56 1bnj n GLU 60 Cb 0.05 -1.34 -0.04 0.00 -0.02 0.00 0.00 31.44 30.09 1bnj n GLU 60 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1bnj n GLY 61 N 1.17 0.71 0.19 0.62 0.00 -1.16 -4.90 105.19 101.82 1bnj n GLY 61 Ca 0.14 -0.10 0.05 0.00 0.00 0.00 0.00 46.02 46.11 1bnj n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bnj h LYS 62 N 0.00 0.00 -6.32 1.61 1.57 -1.92 -3.44 116.57 108.07 1bnj h LYS 62 Ca -0.42 0.00 -0.64 0.00 -1.87 0.00 0.00 60.65 57.72 1bnj h LYS 62 Cb 1.28 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 33.48 1bnj h LYS 62 CO 0.55 0.37 -0.65 -0.51 -0.57 0.00 0.00 179.45 178.64 1bnj s LEU 63 N -7.62 3.51 -0.11 2.94 1.43 -1.26 -4.90 118.68 112.67 1bnj s LEU 63 Ca -0.02 -0.18 -0.35 0.00 -1.03 0.00 0.00 54.13 52.55 1bnj s LEU 63 Cb 0.13 -2.22 -0.13 0.00 0.03 0.00 0.00 46.19 44.00 1bnj s LEU 63 CO 0.70 0.16 1.83 -2.65 0.23 0.00 0.00 176.35 176.61 1bnj n PRO 64 N 0.43 1.96 -3.95 1.29 -0.02 -1.26 -4.96 135.00 128.48 1bnj n PRO 64 Ca -0.10 0.72 -0.28 0.00 -2.02 0.00 0.00 63.50 61.81 1bnj n PRO 64 Cb 0.52 -2.52 -0.04 0.00 -0.02 0.00 0.00 33.50 31.44 1bnj n PRO 64 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1bnj s GLY 65 N 3.70 1.93 -0.13 -1.23 0.00 -1.26 -5.07 107.32 105.26 1bnj s GLY 65 Ca 0.93 -0.96 -0.30 0.00 0.00 0.00 0.00 44.72 44.38 1bnj s GLY 65 CO 0.53 -0.96 0.94 1.25 0.00 0.00 0.00 173.10 174.87 1bnj s LYS 66 N -2.87 0.69 0.09 2.90 2.20 -1.26 -5.06 119.74 116.43 1bnj s LYS 66 Ca 0.34 0.13 -0.31 0.00 -0.36 0.00 0.00 55.97 55.77 1bnj s LYS 66 Cb -0.12 0.32 -0.08 0.00 -1.51 0.00 0.00 37.83 36.44 1bnj s LYS 66 CO 0.27 -0.22 1.53 -1.54 -0.36 0.00 0.00 175.35 175.03 1bnj s SER 67 N -1.23 6.69 0.00 1.43 1.04 -1.26 -1.90 113.70 118.47 1bnj s SER 67 Ca -0.03 2.41 0.00 0.00 0.48 0.00 0.00 55.95 58.81 1bnj s SER 67 Cb -0.00 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.54 1bnj s SER 67 CO 0.02 -0.79 0.00 0.61 0.98 0.00 0.00 173.24 174.06 1bnj n GLY 68 N 3.77 1.12 3.69 7.32 0.00 -1.26 -5.04 105.19 114.79 1bnj n GLY 68 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 1bnj n GLY 68 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1bnj s ARG 69 N -0.45 4.39 0.16 1.61 3.52 -0.80 -4.95 118.95 122.43 1bnj s ARG 69 Ca 0.00 1.08 0.10 0.00 -0.13 0.00 0.00 55.73 56.77 1bnj s ARG 69 Cb 0.00 -3.52 -0.04 0.00 -1.56 0.00 0.00 34.95 29.83 1bnj s ARG 69 CO 0.00 -0.18 -0.22 0.95 -0.81 0.00 0.00 175.30 175.04 1bnj s THR 70 N 1.61 2.03 0.02 4.11 -4.23 -1.26 -4.73 115.64 113.18 1bnj s THR 70 Ca 0.41 -1.86 0.04 0.00 -1.18 0.00 0.00 61.69 59.10 1bnj s THR 70 Cb -0.18 -1.90 -0.03 0.00 1.34 0.00 0.00 72.50 71.73 1bnj s THR 70 CO 0.17 -0.15 -0.10 0.26 -0.54 0.00 0.00 174.62 174.26 1bnj s TRP 71 N -1.62 2.78 0.29 3.99 0.52 -1.26 -0.40 118.94 123.24 1bnj s TRP 71 Ca 0.15 -0.11 0.06 0.00 0.02 0.00 0.00 56.10 56.22 1bnj s TRP 71 Cb -0.08 -1.56 -0.06 0.00 -1.15 0.00 0.00 33.47 30.62 1bnj s TRP 71 CO 0.07 0.33 -0.02 1.03 0.02 0.00 0.00 176.95 178.38 1bnj s ARG 72 N -1.44 1.58 0.19 4.98 0.52 0.17 -1.51 118.95 123.45 1bnj s ARG 72 Ca 0.16 -1.82 0.03 0.00 -0.52 0.00 0.00 55.73 53.58 1bnj s ARG 72 Cb -0.11 -1.07 -0.05 0.00 0.52 0.00 0.00 34.95 34.24 1bnj s ARG 72 CO 0.07 -0.03 -0.02 -1.83 0.02 0.00 0.00 175.30 173.51 1bnj s GLU 73 N -3.77 1.20 -0.02 3.54 -1.05 0.59 -1.61 118.70 117.59 1bnj s GLU 73 Ca 0.31 -1.58 -0.11 0.00 -0.15 0.00 0.00 54.97 53.44 1bnj s GLU 73 Cb 0.05 -0.50 0.01 0.00 -0.44 0.00 0.00 34.13 33.25 1bnj s GLU 73 CO 0.13 -0.07 0.23 0.00 0.95 0.00 0.00 175.26 176.50 1bnj s ALA 74 N -3.48 -0.57 0.32 -0.84 0.00 -0.27 -0.30 121.76 116.61 1bnj s ALA 74 Ca 0.24 0.18 -0.28 0.00 0.00 0.00 0.00 51.96 52.11 1bnj s ALA 74 Cb 0.05 0.03 -0.09 0.00 0.00 0.00 0.00 23.12 23.11 1bnj s ALA 74 CO 0.05 -0.22 1.05 -0.51 0.00 0.00 0.00 175.76 176.13 1bnj s ASP 75 N -1.17 7.16 0.09 0.00 1.11 0.57 -2.07 116.67 122.37 1bnj s ASP 75 Ca -0.12 2.13 0.08 0.00 0.18 0.00 0.00 52.55 54.82 1bnj s ASP 75 Cb -0.06 -2.61 -0.03 0.00 1.07 0.00 0.00 42.92 41.29 1bnj s ASP 75 CO 0.03 -0.21 -0.22 -0.63 1.18 0.00 0.00 175.17 175.32 1bnj s ILE 76 N -1.35 1.80 -2.05 0.77 -1.09 -0.86 -4.68 121.20 113.73 1bnj s ILE 76 Ca 0.49 -1.50 0.00 0.00 -2.23 0.00 0.00 60.65 57.40 1bnj s ILE 76 Cb -0.27 -1.61 0.00 0.00 -1.58 0.00 0.00 42.46 39.00 1bnj s ILE 76 CO 0.34 0.03 0.00 0.59 -1.23 0.00 0.00 174.94 174.67 1bnj n ASN 77 N 1.23 -5.59 -4.79 3.58 3.02 0.11 -4.51 115.26 108.31 1bnj n ASN 77 Ca -0.19 0.34 -0.39 0.00 -0.03 0.00 0.00 54.58 54.31 1bnj n ASN 77 Cb 0.53 -4.84 -0.06 0.00 -0.61 0.00 0.00 39.78 34.80 1bnj n ASN 77 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1bnj s TYR 78 N -2.85 3.84 0.00 3.10 5.04 -1.26 -4.92 117.35 120.30 1bnj s TYR 78 Ca 0.00 1.45 0.00 0.00 -2.44 0.00 0.00 57.07 56.08 1bnj s TYR 78 Cb 0.00 -2.66 0.00 0.00 0.35 0.00 0.00 41.96 39.65 1bnj s TYR 78 CO 0.00 0.51 0.00 0.25 -1.34 0.00 0.00 175.55 174.97 1bnj n THR 79 N 1.84 0.00 -3.63 4.34 -2.24 -1.26 -4.94 114.28 108.39 1bnj n THR 79 Ca -0.07 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.65 1bnj n THR 79 Cb 0.50 -0.81 -0.02 0.00 -2.10 0.00 0.00 70.33 67.90 1bnj n THR 79 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1bnj s SER 80 N -4.59 -0.28 0.00 3.42 1.04 -1.26 -4.73 113.70 107.30 1bnj s SER 80 Ca 0.00 -0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.22 1bnj s SER 80 Cb 0.00 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.57 1bnj s SER 80 CO 0.00 -0.79 0.00 0.61 0.98 0.00 0.00 173.24 174.04 1bnj n GLY 81 N -0.37 -0.45 3.81 7.32 0.00 -1.25 -4.92 105.19 109.33 1bnj n GLY 81 Ca -0.08 -1.55 -0.32 0.00 0.00 0.00 0.00 46.02 44.08 1bnj n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bnj s PHE 82 N 0.00 3.00 0.51 1.61 0.08 -1.26 -4.34 117.98 117.58 1bnj s PHE 82 Ca 0.00 1.47 -0.21 0.00 0.12 0.00 0.00 56.93 58.31 1bnj s PHE 82 Cb 0.00 -2.95 -0.06 0.00 -0.57 0.00 0.00 43.02 39.44 1bnj s PHE 82 CO 0.00 -1.26 1.15 1.03 -0.10 0.00 0.00 175.22 176.05 1bnj s ARG 83 N -4.64 3.49 0.00 0.44 0.52 -1.26 -4.99 118.95 112.50 1bnj s ARG 83 Ca 0.61 1.71 0.00 0.00 -0.52 0.00 0.00 55.73 57.52 1bnj s ARG 83 Cb -0.15 -2.17 0.00 0.00 0.52 0.00 0.00 34.95 33.15 1bnj s ARG 83 CO 0.48 -0.76 0.00 0.27 0.02 0.00 0.00 175.30 175.31 1bnj n ASN 84 N -0.99 0.00 -0.25 0.23 0.23 -1.26 -5.04 115.26 108.19 1bnj n ASN 84 Ca 0.10 0.00 0.08 0.00 -0.53 0.00 0.00 54.58 54.23 1bnj n ASN 84 Cb 0.50 0.00 0.15 0.00 -2.08 0.00 0.00 39.78 38.35 1bnj n ASN 84 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1bnj n SER 85 N 0.00 2.07 -4.74 0.53 3.41 -1.26 -4.96 113.62 108.67 1bnj n SER 85 Ca 0.00 -3.23 -0.36 0.00 -0.26 0.00 0.00 58.87 55.01 1bnj n SER 85 Cb 0.00 -0.44 -0.07 0.00 -0.26 0.00 0.00 64.21 63.43 1bnj n SER 85 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1bnj s ASP 86 N -2.88 6.38 -0.00 4.04 1.01 -1.26 -1.38 116.67 122.58 1bnj s ASP 86 Ca 0.32 0.44 -0.06 0.00 0.71 0.00 0.00 52.55 53.96 1bnj s ASP 86 Cb 0.29 -2.15 0.00 0.00 1.01 0.00 0.00 42.92 42.07 1bnj s ASP 86 CO 0.00 0.15 0.12 -0.13 0.21 0.00 0.00 175.17 175.52 1bnj s ARG 87 N 0.29 0.42 -0.07 8.23 1.81 -0.21 -2.04 118.95 127.38 1bnj s ARG 87 Ca 0.14 -0.33 0.01 0.00 -1.72 0.00 0.00 55.73 53.83 1bnj s ARG 87 Cb -0.12 0.17 -0.03 0.00 -0.45 0.00 0.00 34.95 34.52 1bnj s ARG 87 CO 0.03 -0.09 -0.07 -1.50 -0.68 0.00 0.00 175.30 172.99 1bnj s ILE 88 N -1.17 3.74 -0.11 1.52 2.07 -0.88 -1.02 121.20 125.35 1bnj s ILE 88 Ca -0.13 -0.47 0.03 0.00 -1.41 0.00 0.00 60.65 58.68 1bnj s ILE 88 Cb -0.07 -2.53 0.01 0.00 0.13 0.00 0.00 42.46 40.00 1bnj s ILE 88 CO 0.01 0.60 -0.20 -0.76 -1.91 0.00 0.00 174.94 172.68 1bnj s LEU 89 N -0.81 1.96 -0.01 8.50 1.02 -0.68 -1.12 118.68 127.55 1bnj s LEU 89 Ca 0.12 -0.52 0.01 0.00 0.02 0.00 0.00 54.13 53.77 1bnj s LEU 89 Cb -0.11 -1.28 0.00 0.00 0.02 0.00 0.00 46.19 44.82 1bnj s LEU 89 CO 0.01 0.09 -0.04 -0.72 0.02 0.00 0.00 176.35 175.71 1bnj s TYR 90 N 0.69 0.41 0.46 0.29 1.13 -0.63 0.09 117.35 119.79 1bnj s TYR 90 Ca -0.12 -0.07 0.04 0.00 -1.41 0.00 0.00 57.07 55.51 1bnj s TYR 90 Cb -0.16 -0.29 0.01 0.00 -1.10 0.00 0.00 41.96 40.42 1bnj s TYR 90 CO 0.02 -0.03 0.65 -1.54 -2.51 0.00 0.00 175.55 172.14 1bnj s SER 91 N 0.06 5.61 0.35 -0.18 1.04 -1.04 0.46 113.70 120.00 1bnj s SER 91 Ca -0.00 -0.08 0.26 0.00 0.48 0.00 0.00 55.95 56.61 1bnj s SER 91 Cb -0.04 -1.02 1.21 0.00 0.10 0.00 0.00 66.02 66.28 1bnj s SER 91 CO -0.00 -0.83 1.79 0.77 0.98 0.00 0.00 173.24 175.94 1bnj h SER 92 N 0.42 0.00 -0.30 7.02 4.64 -1.09 -1.48 113.55 122.75 1bnj h SER 92 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1bnj h SER 92 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1bnj h SER 92 CO 0.51 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.57 1bnj n ASP 93 N -2.43 3.82 -3.53 4.97 5.75 -1.26 -5.00 116.55 118.86 1bnj n ASP 93 Ca 0.00 -2.80 -0.24 0.00 -0.01 0.00 0.00 54.79 51.74 1bnj n ASP 93 Cb 0.17 -0.49 0.07 0.00 -1.03 0.00 0.00 41.12 39.84 1bnj n ASP 93 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1bnj n TRP 94 N -0.21 -2.72 -3.02 2.11 7.02 -0.56 -5.04 117.44 115.02 1bnj n TRP 94 Ca 0.20 0.94 -0.35 0.00 -1.02 0.00 0.00 57.50 57.26 1bnj n TRP 94 Cb 0.82 -4.90 -0.06 0.00 -2.42 0.00 0.00 31.31 24.75 1bnj n TRP 94 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1bnj s LEU 95 N -7.22 4.26 -0.08 -0.99 1.43 -1.26 -4.90 118.68 109.92 1bnj s LEU 95 Ca 0.55 1.49 0.01 0.00 -1.03 0.00 0.00 54.13 55.16 1bnj s LEU 95 Cb -0.25 -3.82 0.02 0.00 0.03 0.00 0.00 46.19 42.17 1bnj s LEU 95 CO 0.68 -0.06 -0.09 -0.63 0.23 0.00 0.00 176.35 176.48 1bnj s ILE 96 N -1.67 1.00 0.32 -0.59 1.01 -0.26 -2.49 121.20 118.53 1bnj s ILE 96 Ca 0.48 -0.35 0.10 0.00 0.00 0.00 0.00 60.65 60.87 1bnj s ILE 96 Cb -0.15 -0.97 -0.06 0.00 0.01 0.00 0.00 42.46 41.29 1bnj s ILE 96 CO 0.20 0.34 -0.07 -0.31 0.00 0.00 0.00 174.94 175.10 1bnj s TYR 97 N 1.09 2.45 0.09 3.97 1.51 0.11 -0.25 117.35 126.33 1bnj s TYR 97 Ca -0.07 -0.43 0.03 0.00 -1.01 0.00 0.00 57.07 55.59 1bnj s TYR 97 Cb -0.14 -1.33 -0.04 0.00 -0.11 0.00 0.00 41.96 40.34 1bnj s TYR 97 CO -0.01 0.58 -0.08 -1.59 -1.11 0.00 0.00 175.55 173.34 1bnj s LYS 98 N -3.63 0.81 0.03 -0.62 -2.85 0.23 -1.69 119.74 112.01 1bnj s LYS 98 Ca 0.33 -1.22 0.03 0.00 -1.00 0.00 0.00 55.97 54.11 1bnj s LYS 98 Cb -0.01 -0.33 -0.02 0.00 -2.06 0.00 0.00 37.83 35.41 1bnj s LYS 98 CO 0.17 0.02 -0.10 -0.08 0.10 0.00 0.00 175.35 175.47 1bnj s THR 99 N -2.99 0.76 0.00 3.79 -1.32 -0.19 -1.38 115.64 114.32 1bnj s THR 99 Ca 0.08 -0.80 0.00 0.00 -1.21 0.00 0.00 61.69 59.76 1bnj s THR 99 Cb 0.01 -0.71 0.00 0.00 -1.51 0.00 0.00 72.50 70.28 1bnj s THR 99 CO -0.02 -0.06 0.79 0.35 -2.21 0.00 0.00 174.62 173.47 1bnj n THR 100 N 2.09 0.63 -2.25 5.08 -2.24 -1.26 -1.04 114.28 115.29 1bnj n THR 100 Ca -0.18 -0.69 -0.07 0.00 -2.27 0.00 0.00 64.05 60.84 1bnj n THR 100 Cb 0.56 0.73 0.07 0.00 -2.10 0.00 0.00 70.33 69.58 1bnj n THR 100 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1bnj n ASP 101 N -0.31 2.72 -2.82 3.42 5.68 -1.20 -4.64 116.55 119.39 1bnj n ASP 101 Ca 0.00 -3.01 -0.14 0.00 -0.50 0.00 0.00 54.79 51.14 1bnj n ASP 101 Cb 0.27 -0.41 0.07 0.00 -1.14 0.00 0.00 41.12 39.90 1bnj n ASP 101 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 1bnj n HIS 102 N -0.57 -1.72 -1.14 2.11 -0.00 -0.48 -3.14 115.22 110.29 1bnj n HIS 102 Ca 0.23 0.71 -0.05 0.00 -0.00 0.00 0.00 57.72 58.61 1bnj n HIS 102 Cb 0.89 -4.27 -0.02 0.00 -0.00 0.00 0.00 29.99 26.60 1bnj n HIS 102 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1bnj n TYR 103 N -3.51 0.00 0.07 1.57 4.01 -1.26 -4.89 117.16 113.15 1bnj n TYR 103 Ca -0.18 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.34 1bnj n TYR 103 Cb 0.61 -1.46 -0.15 0.00 -0.31 0.00 0.00 39.34 38.04 1bnj n TYR 103 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 1bnj h GLN 104 N 0.28 0.36 -5.21 -0.72 4.20 -1.95 -3.46 115.11 108.61 1bnj h GLN 104 Ca -0.10 -0.62 -0.36 0.00 0.06 0.00 0.00 58.65 57.64 1bnj h GLN 104 Cb 0.59 0.23 -0.15 0.00 0.30 0.00 0.00 27.48 28.45 1bnj h GLN 104 CO 0.14 1.29 -0.72 0.95 -0.67 0.00 0.00 178.83 179.82 1bnj s THR 105 N -2.51 1.29 0.17 -0.54 -4.23 -1.26 -5.11 115.64 103.45 1bnj s THR 105 Ca -0.15 -2.03 0.05 0.00 -1.18 0.00 0.00 61.69 58.39 1bnj s THR 105 Cb 0.03 -1.82 -0.05 0.00 1.34 0.00 0.00 72.50 72.01 1bnj s THR 105 CO 0.84 -0.66 -0.11 -0.36 -0.54 0.00 0.00 174.62 173.79 1bnj s PHE 106 N -3.05 1.39 -0.04 3.99 0.08 -1.26 -4.47 117.98 114.62 1bnj s PHE 106 Ca 0.16 -0.72 0.01 0.00 0.12 0.00 0.00 56.93 56.50 1bnj s PHE 106 Cb 0.01 -0.69 0.02 0.00 -0.57 0.00 0.00 43.02 41.79 1bnj s PHE 106 CO 0.02 0.15 -0.04 0.99 -0.10 0.00 0.00 175.22 176.24 1bnj s THR 107 N -3.24 0.49 0.16 0.64 2.01 -0.48 -4.93 115.64 110.29 1bnj s THR 107 Ca 0.19 -0.09 -0.30 0.00 0.31 0.00 0.00 61.69 61.79 1bnj s THR 107 Cb 0.02 -0.53 -0.07 0.00 0.01 0.00 0.00 72.50 71.93 1bnj s THR 107 CO 0.02 0.22 1.17 -0.75 -0.69 0.00 0.00 174.62 174.59 1bnj s LYS 108 N 0.94 4.51 0.00 4.92 2.20 -1.26 0.75 119.74 131.79 1bnj s LYS 108 Ca -0.11 1.81 0.00 0.00 -0.36 0.00 0.00 55.97 57.32 1bnj s LYS 108 Cb -0.14 -3.27 0.00 0.00 -1.51 0.00 0.00 37.83 32.91 1bnj s LYS 108 CO -0.00 -0.08 0.00 0.44 -0.36 0.00 0.00 175.35 175.35 1bnj n ILE 109 N 2.73 0.00 -1.42 5.43 -5.35 0.65 -4.91 119.36 116.50 1bnj n ILE 109 Ca 0.05 -0.24 0.00 0.00 -0.27 0.00 0.00 62.75 62.29 1bnj n ILE 109 Cb 0.45 0.80 0.00 0.00 -1.74 0.00 0.00 39.64 39.15 1bnj n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33