#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bnj s VAL 3 N nan 3.51 -0.51 0.00 -7.23 -1.26 -5.68 120.40 nan 1bnj s VAL 3 Ca nan 0.54 -0.12 0.00 -1.81 0.00 0.00 61.98 nan 1bnj s VAL 3 Cb nan -3.61 0.13 0.00 0.56 0.00 0.00 36.38 nan 1bnj s VAL 3 CO nan -0.34 0.42 -0.63 -0.31 0.00 0.00 175.10 nan 1bnj s ILE 4 N 6.32 4.69 -0.04 -0.62 1.01 -1.26 -4.87 121.20 126.43 1bnj s ILE 4 Ca 0.78 -1.67 0.05 0.00 0.00 0.00 0.00 60.65 59.81 1bnj s ILE 4 Cb -0.24 -4.05 0.08 0.00 0.01 0.00 0.00 42.46 38.26 1bnj s ILE 4 CO 0.33 -0.82 1.02 -0.46 0.00 0.00 0.00 174.94 175.00 1bnj n ASN 5 N 5.04 0.67 -4.83 3.58 6.94 -1.26 -4.76 115.26 120.65 1bnj n ASN 5 Ca -0.10 -2.26 -0.30 0.00 -0.02 0.00 0.00 54.58 51.89 1bnj n ASN 5 Cb 0.40 -0.25 -0.05 0.00 -2.36 0.00 0.00 39.78 37.52 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 -0.80 4.85 0.21 5.53 -4.23 -1.26 -0.12 115.64 119.82 1bnj s THR 6 Ca 0.09 -0.64 -0.10 0.00 -1.18 0.00 0.00 61.69 59.85 1bnj s THR 6 Cb 0.08 -3.36 0.19 0.00 1.34 0.00 0.00 72.50 70.75 1bnj s THR 6 CO 0.01 0.12 1.67 -0.26 -0.54 0.00 0.00 174.62 175.62 1bnj h PHE 7 N 3.16 0.02 -0.03 3.99 0.04 -1.98 0.71 116.94 122.85 1bnj h PHE 7 Ca -0.46 0.04 -0.03 0.00 2.80 0.00 0.00 57.97 60.32 1bnj h PHE 7 Cb 1.16 0.09 0.00 0.00 2.20 0.00 0.00 35.95 39.40 1bnj h PHE 7 CO 0.61 -0.14 -0.09 -0.44 -0.60 0.00 0.00 178.31 177.65 1bnj h ASP 8 N 0.15 0.14 -0.31 2.17 3.32 -1.98 -0.69 116.42 119.22 1bnj h ASP 8 Ca 0.33 -0.60 0.04 0.00 0.02 0.00 0.00 57.03 56.81 1bnj h ASP 8 Cb 0.53 -0.04 -0.04 0.00 0.22 0.00 0.00 39.33 40.00 1bnj h ASP 8 CO -0.51 0.72 0.09 1.23 -1.72 0.00 0.00 179.24 179.05 1bnj h GLY 9 N -0.43 0.38 1.10 2.75 0.00 -1.87 0.34 103.07 105.34 1bnj h GLY 9 Ca -0.00 -0.05 -0.21 0.00 0.00 0.00 0.00 47.33 47.07 1bnj h GLY 9 CO 0.02 0.01 -0.72 -2.08 0.00 0.00 0.00 176.54 173.77 1bnj h VAL 10 N 0.22 1.30 -0.09 4.60 2.07 0.36 -1.61 116.25 123.09 1bnj h VAL 10 Ca 0.14 -1.94 0.04 0.00 0.82 0.00 0.00 66.70 65.76 1bnj h VAL 10 Cb 0.13 2.04 -0.06 0.00 -1.52 0.00 0.00 31.29 31.87 1bnj h VAL 10 CO -0.16 0.61 -0.46 0.00 0.02 0.00 0.00 177.57 177.58 1bnj h ALA 11 N 0.53 -0.70 -0.17 1.67 0.00 -0.71 -0.75 119.26 119.13 1bnj h ALA 11 Ca -0.05 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1bnj h ALA 11 Cb 1.35 0.84 -0.01 0.00 0.00 0.00 0.00 17.79 19.98 1bnj h ALA 11 CO 0.15 -0.99 0.00 -0.44 0.00 0.00 0.00 179.25 177.98 1bnj h ASP 12 N -0.55 0.22 -0.47 0.00 3.32 -0.36 -3.00 116.42 115.58 1bnj h ASP 12 Ca 0.06 -0.02 -0.09 0.00 0.02 0.00 0.00 57.03 56.99 1bnj h ASP 12 Cb 0.66 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.14 1bnj h ASP 12 CO -0.39 0.26 -0.05 0.22 -1.72 0.00 0.00 179.24 177.56 1bnj h TYR 13 N 0.24 0.97 -0.24 4.55 5.03 -0.63 -3.15 116.97 123.73 1bnj h TYR 13 Ca 0.06 -0.19 0.01 0.00 2.58 0.00 0.00 58.73 61.20 1bnj h TYR 13 Cb 0.16 -0.24 -0.02 0.00 1.55 0.00 0.00 36.73 38.18 1bnj h TYR 13 CO 0.00 0.93 0.12 -0.07 -1.32 0.00 0.00 178.16 177.83 1bnj h LEU 14 N 0.72 0.18 -1.40 2.82 3.38 -1.01 0.18 115.31 120.19 1bnj h LEU 14 Ca 0.13 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 1bnj h LEU 14 Cb 0.58 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1bnj h LEU 14 CO 0.03 0.14 -0.20 1.56 0.09 0.00 0.00 178.44 180.06 1bnj h GLN 15 N 0.26 0.00 0.00 1.13 4.20 -1.63 0.66 115.11 119.73 1bnj h GLN 15 Ca 0.10 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.61 1bnj h GLN 15 Cb 0.02 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.77 1bnj h GLN 15 CO -0.07 0.20 -1.29 2.41 -0.67 0.00 0.00 178.83 179.41 1bnj n THR 16 N -3.49 1.50 0.99 -0.54 -1.04 -1.15 -4.66 114.28 105.90 1bnj n THR 16 Ca -0.01 -0.02 0.11 0.00 -2.04 0.00 0.00 64.05 62.09 1bnj n THR 16 Cb 0.37 -2.12 0.02 0.00 -1.82 0.00 0.00 70.33 66.78 1bnj n THR 16 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1bnj n TYR 17 N -4.45 0.00 -3.93 -1.42 4.01 0.64 -4.98 117.16 107.03 1bnj n TYR 17 Ca -0.29 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.14 1bnj n TYR 17 Cb 0.61 -0.10 0.01 0.00 -0.31 0.00 0.00 39.34 39.55 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 -1.51 -2.08 -3.53 -0.72 8.25 0.23 -4.95 115.22 110.91 1bnj n HIS 18 Ca 0.05 0.82 -0.09 0.00 -0.26 0.00 0.00 57.72 58.24 1bnj n HIS 18 Cb 0.33 -3.57 -0.03 0.00 1.12 0.00 0.00 29.99 27.85 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 -6.64 0.72 0.72 -0.41 -2.85 -1.26 -5.06 119.74 104.96 1bnj s LYS 19 Ca 0.66 -0.14 -0.11 0.00 -1.00 0.00 0.00 55.97 55.38 1bnj s LYS 19 Cb -0.34 0.33 0.03 0.00 -2.06 0.00 0.00 37.83 35.79 1bnj s LYS 19 CO 0.81 -0.29 1.08 -0.51 0.10 0.00 0.00 175.35 176.54 1bnj s LEU 20 N -2.02 3.13 1.17 2.77 1.43 -1.26 -4.19 118.68 119.71 1bnj s LEU 20 Ca 0.03 1.74 -0.15 0.00 -1.03 0.00 0.00 54.13 54.72 1bnj s LEU 20 Cb -0.01 -4.51 0.27 0.00 0.03 0.00 0.00 46.19 41.97 1bnj s LEU 20 CO -0.05 -1.70 1.04 -2.84 0.23 0.00 0.00 176.35 173.04 1bnj s PRO 21 N -4.86 -0.93 0.00 1.29 0.02 -1.26 -4.93 135.00 124.32 1bnj s PRO 21 Ca 0.60 0.45 0.31 0.00 0.02 0.00 0.00 61.00 62.38 1bnj s PRO 21 Cb -0.16 -1.58 1.70 0.00 0.02 0.00 0.00 34.50 34.48 1bnj s PRO 21 CO 0.53 -3.63 2.11 -0.25 -0.33 0.00 0.00 177.00 175.44 1bnj n ASP 22 N -4.80 0.34 -0.07 2.53 8.00 -1.26 -3.00 116.55 118.30 1bnj n ASP 22 Ca 0.06 -1.09 0.10 0.00 0.71 0.00 0.00 54.79 54.57 1bnj n ASP 22 Cb 0.57 -0.00 0.56 0.00 -0.02 0.00 0.00 41.12 42.23 1bnj n ASP 22 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1bnj n ASN 23 N -0.74 0.22 -4.84 -2.24 6.94 -1.26 -4.84 115.26 108.50 1bnj n ASN 23 Ca 0.23 -1.42 -0.33 0.00 -0.02 0.00 0.00 54.58 53.04 1bnj n ASN 23 Cb 0.17 -0.01 -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 -1.97 3.40 0.02 -2.53 2.02 -1.16 -0.47 117.35 116.65 1bnj s TYR 24 Ca 0.30 0.26 -0.01 0.00 -0.37 0.00 0.00 57.07 57.25 1bnj s TYR 24 Cb 0.14 -1.76 -0.02 0.00 -0.40 0.00 0.00 41.96 39.92 1bnj s TYR 24 CO 0.23 0.59 -0.01 0.96 -1.57 0.00 0.00 175.55 175.76 1bnj s ILE 25 N -1.29 0.11 0.62 2.71 -4.36 -0.49 -4.87 121.20 113.64 1bnj s ILE 25 Ca 0.26 -0.94 -0.09 0.00 -0.26 0.00 0.00 60.65 59.62 1bnj s ILE 25 Cb -0.12 -0.37 -0.01 0.00 1.25 0.00 0.00 42.46 43.21 1bnj s ILE 25 CO 0.18 -0.52 0.99 0.42 0.24 0.00 0.00 174.94 176.24 1bnj s THR 26 N -1.63 4.10 0.23 8.37 -4.23 -1.20 -0.26 115.64 121.02 1bnj s THR 26 Ca -0.14 0.44 -0.07 0.00 -1.18 0.00 0.00 61.69 60.75 1bnj s THR 26 Cb -0.08 -3.65 0.20 0.00 1.34 0.00 0.00 72.50 70.31 1bnj s THR 26 CO -0.01 -0.78 1.85 0.11 -0.54 0.00 0.00 174.62 175.25 1bnj h LYS 27 N -0.31 0.92 -0.43 3.99 1.57 -1.96 -0.91 116.57 119.43 1bnj h LYS 27 Ca -0.45 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.18 1bnj h LYS 27 Cb 1.23 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 33.31 1bnj h LYS 27 CO 0.62 0.61 -0.10 0.66 -0.57 0.00 0.00 179.45 180.67 1bnj h SER 28 N 0.95 0.75 -0.68 0.86 4.64 -1.99 0.41 113.55 118.49 1bnj h SER 28 Ca 0.35 -0.22 -0.04 0.00 -0.47 0.00 0.00 61.79 61.42 1bnj h SER 28 Cb 0.13 -0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 61.99 1bnj h SER 28 CO -0.16 0.88 0.28 -0.33 -0.87 0.00 0.00 176.83 176.63 1bnj h GLU 29 N 0.70 1.01 -0.21 4.77 5.08 -1.74 -2.26 114.58 121.92 1bnj h GLU 29 Ca 0.12 -0.18 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 1bnj h GLU 29 Cb 0.57 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1bnj h GLU 29 CO 0.04 0.83 0.02 0.00 -1.00 0.00 0.00 179.01 178.90 1bnj h ALA 30 N 1.13 0.29 -0.89 3.43 0.00 -0.75 -2.84 119.26 119.61 1bnj h ALA 30 Ca 0.23 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.99 1bnj h ALA 30 Cb 0.20 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 1bnj h ALA 30 CO -0.02 -0.02 0.58 1.96 0.00 0.00 0.00 179.25 181.76 1bnj h GLN 31 N 0.14 1.03 0.00 0.00 4.20 0.02 -0.84 115.11 119.67 1bnj h GLN 31 Ca 0.06 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1bnj h GLN 31 Cb 0.36 -0.23 -0.00 0.00 0.30 0.00 0.00 27.48 27.91 1bnj h GLN 31 CO 0.01 0.68 -0.04 0.00 -0.67 0.00 0.00 178.83 178.81 1bnj h ALA 32 N 1.50 1.09 -0.51 3.87 0.00 -1.25 -2.03 119.26 121.92 1bnj h ALA 32 Ca 0.37 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1bnj h ALA 32 Cb 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1bnj h ALA 32 CO -0.13 0.05 0.00 1.28 0.00 0.00 0.00 179.25 180.45 1bnj n LEU 33 N -3.26 3.15 0.00 0.00 4.77 -0.39 -4.94 117.00 116.34 1bnj n LEU 33 Ca -0.01 -1.50 0.00 0.00 -0.03 0.00 0.00 56.01 54.46 1bnj n LEU 33 Cb 0.21 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 1bnj n LEU 33 CO 0.26 0.75 0.00 0.61 -1.33 0.00 0.00 177.39 177.68 1bnj n GLY 34 N 1.45 0.89 3.68 -0.72 0.00 -0.76 -4.83 105.19 104.90 1bnj n GLY 34 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1bnj n GLY 34 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1bnj s TRP 35 N -2.03 2.13 -0.28 1.61 -0.00 -0.77 -4.95 118.94 114.65 1bnj s TRP 35 Ca 0.00 0.09 0.02 0.00 -0.00 0.00 0.00 56.10 56.21 1bnj s TRP 35 Cb 0.00 -4.07 0.06 0.00 -0.00 0.00 0.00 33.47 29.47 1bnj s TRP 35 CO 0.00 -4.42 -0.07 0.08 -0.00 0.00 0.00 176.95 172.54 1bnj s VAL 36 N 3.07 2.30 0.22 5.86 1.01 -1.26 -4.55 120.40 127.06 1bnj s VAL 36 Ca 0.78 -1.70 -0.07 0.00 0.00 0.00 0.00 61.98 60.98 1bnj s VAL 36 Cb -0.41 -2.40 0.18 0.00 0.00 0.00 0.00 36.38 33.74 1bnj s VAL 36 CO 0.35 -0.12 1.74 0.00 0.00 0.00 0.00 175.10 177.06 1bnj h ALA 37 N 7.78 0.89 0.00 5.51 0.00 -2.00 -2.29 119.26 129.16 1bnj h ALA 37 Ca -0.17 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1bnj h ALA 37 Cb 1.04 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1bnj h ALA 37 CO 0.48 -0.20 0.00 0.43 0.00 0.00 0.00 179.25 179.96 1bnj n SER 38 N -5.00 0.44 -0.06 0.00 7.64 -1.26 -2.05 113.62 113.32 1bnj n SER 38 Ca 0.11 0.67 0.07 0.00 1.01 0.00 0.00 58.87 60.73 1bnj n SER 38 Cb 0.33 -0.74 -0.07 0.00 -1.01 0.00 0.00 64.21 62.72 1bnj n SER 38 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1bnj n LYS 39 N -2.05 2.10 -2.70 1.43 5.02 -0.87 -5.03 118.16 116.06 1bnj n LYS 39 Ca -0.00 -0.14 -0.21 0.00 -2.02 0.00 0.00 58.31 55.94 1bnj n LYS 39 Cb 0.08 -1.20 0.01 0.00 -0.02 0.00 0.00 35.03 33.90 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 1.30 -0.51 1.47 0.72 0.00 -0.87 -4.91 105.19 102.40 1bnj n GLY 40 Ca 0.03 0.06 0.08 0.00 0.00 0.00 0.00 46.02 46.19 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 -2.22 4.35 -0.27 1.61 6.94 -1.25 -3.85 115.26 120.56 1bnj n ASN 41 Ca -0.18 -2.45 0.03 0.00 -0.02 0.00 0.00 54.58 51.97 1bnj n ASN 41 Cb 0.65 -0.56 0.17 0.00 -2.36 0.00 0.00 39.78 37.68 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 3.56 0.54 -1.84 -4.53 5.85 -1.87 0.12 115.31 117.15 1bnj h LEU 42 Ca 0.00 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 1bnj h LEU 42 Cb 1.37 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.37 1bnj h LEU 42 CO 0.24 0.29 -0.03 0.00 -0.34 0.00 0.00 178.44 178.60 1bnj h ALA 43 N 1.48 1.03 -0.10 1.25 0.00 -1.82 0.36 119.26 121.46 1bnj h ALA 43 Ca 0.40 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 55.07 1bnj h ALA 43 Cb 0.45 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.24 1bnj h ALA 43 CO -0.29 0.04 -0.73 -0.44 0.00 0.00 0.00 179.25 177.83 1bnj h ASP 44 N 0.00 0.83 0.40 0.00 3.32 -1.10 -3.20 116.42 116.66 1bnj h ASP 44 Ca -0.00 -0.66 -0.11 0.00 0.02 0.00 0.00 57.03 56.28 1bnj h ASP 44 Cb 0.39 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 1bnj h ASP 44 CO 0.00 1.36 -1.70 1.33 -1.72 0.00 0.00 179.24 178.51 1bnj n VAL 45 N -4.03 0.69 -3.20 -1.35 0.24 -1.03 -4.65 118.33 104.99 1bnj n VAL 45 Ca -0.08 -0.62 -0.24 0.00 -2.04 0.00 0.00 64.34 61.35 1bnj n VAL 45 Cb 0.72 -0.35 -0.07 0.00 -1.47 0.00 0.00 33.84 32.67 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 -2.36 2.53 -1.65 2.33 0.00 0.13 -4.98 120.51 116.50 1bnj n ALA 46 Ca -0.10 -3.50 -0.48 0.00 0.00 0.00 0.00 53.44 49.37 1bnj n ALA 46 Cb 0.74 -0.82 -0.05 0.00 0.00 0.00 0.00 19.45 19.32 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 1.31 1.90 -0.23 0.00 -0.02 -1.21 -1.89 135.00 134.86 1bnj n PRO 47 Ca 0.22 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.38 1bnj n PRO 47 Cb 0.53 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 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 3.26 2.46 3.93 -1.23 0.00 -1.26 -5.01 105.19 107.35 1bnj n GLY 48 Ca 0.18 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.01 3.51 0.08 1.61 -0.14 -0.79 -4.82 119.74 119.18 1bnj s LYS 49 Ca 0.00 -0.23 0.05 0.00 -1.36 0.00 0.00 55.97 54.43 1bnj s LYS 49 Cb 0.00 -2.64 -0.03 0.00 -1.68 0.00 0.00 37.83 33.48 1bnj s LYS 49 CO 0.00 0.13 -0.14 -1.12 -0.76 0.00 0.00 175.35 173.46 1bnj s SER 50 N -3.88 1.73 0.07 2.83 0.01 0.38 -4.84 113.70 110.00 1bnj s SER 50 Ca 0.41 -0.63 -0.30 0.00 1.31 0.00 0.00 55.95 56.74 1bnj s SER 50 Cb -0.10 -0.05 -0.06 0.00 0.21 0.00 0.00 66.02 66.02 1bnj s SER 50 CO 0.36 -0.08 1.18 -0.63 0.41 0.00 0.00 173.24 174.48 1bnj s ILE 51 N -1.33 4.04 -0.22 1.44 -1.09 -1.26 -1.39 121.20 121.39 1bnj s ILE 51 Ca -0.01 1.49 -0.31 0.00 -2.23 0.00 0.00 60.65 59.59 1bnj s ILE 51 Cb -0.10 -3.96 0.16 0.00 -1.58 0.00 0.00 42.46 36.98 1bnj s ILE 51 CO 0.02 0.13 1.21 -0.83 -1.23 0.00 0.00 174.94 174.24 1bnj s GLY 52 N 0.92 -0.13 0.00 6.18 0.00 0.64 -0.98 107.32 113.95 1bnj s GLY 52 Ca 0.57 2.21 0.00 0.00 0.00 0.00 0.00 44.72 47.51 1bnj s GLY 52 CO 0.30 0.90 0.00 0.61 0.00 0.00 0.00 173.10 174.91 1bnj n GLY 53 N 0.38 1.48 3.84 0.20 0.00 0.32 -3.26 105.19 108.14 1bnj n GLY 53 Ca -0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.83 6.03 0.10 1.61 1.01 -1.23 -4.75 116.67 117.62 1bnj s ASP 54 Ca 0.00 1.59 -0.31 0.00 0.71 0.00 0.00 52.55 54.54 1bnj s ASP 54 Cb 0.00 -2.50 -0.08 0.00 1.01 0.00 0.00 42.92 41.35 1bnj s ASP 54 CO 0.00 -1.00 1.41 -0.63 0.21 0.00 0.00 175.17 175.16 1bnj s ILE 55 N -2.85 3.31 -0.26 0.77 -1.09 -1.26 -1.34 121.20 118.48 1bnj s ILE 55 Ca 0.59 0.92 -0.08 0.00 -2.23 0.00 0.00 60.65 59.84 1bnj s ILE 55 Cb -0.12 -3.59 -0.03 0.00 -1.58 0.00 0.00 42.46 37.14 1bnj s ILE 55 CO 0.45 0.06 0.09 0.12 -1.23 0.00 0.00 174.94 174.43 1bnj s PHE 56 N 1.31 3.11 0.22 3.97 5.36 0.11 -4.87 117.98 127.19 1bnj s PHE 56 Ca 0.65 -0.34 -0.07 0.00 -0.96 0.00 0.00 56.93 56.21 1bnj s PHE 56 Cb -0.37 -2.26 0.31 0.00 -0.34 0.00 0.00 43.02 40.36 1bnj s PHE 56 CO 0.30 -0.33 1.80 1.03 -1.46 0.00 0.00 175.22 176.56 1bnj h SER 57 N 8.26 0.56 -4.10 6.13 0.87 -1.94 -3.39 113.55 119.95 1bnj h SER 57 Ca -0.38 0.04 -0.36 0.00 -1.23 0.00 0.00 61.79 59.87 1bnj h SER 57 Cb 1.18 -0.06 0.06 0.00 -0.44 0.00 0.00 62.40 63.14 1bnj h SER 57 CO 0.57 0.34 -0.54 -3.20 -0.53 0.00 0.00 176.83 173.47 1bnj n ASN 58 N -4.80 -5.63 0.23 6.23 5.15 -1.26 -4.86 115.26 110.33 1bnj n ASN 58 Ca 0.11 -0.27 0.09 0.00 -0.60 0.00 0.00 54.58 53.90 1bnj n ASN 58 Cb 0.23 -4.43 0.58 0.00 -0.53 0.00 0.00 39.78 35.62 1bnj n ASN 58 CO 0.00 0.00 0.00 0.08 1.40 0.00 0.00 177.26 178.74 1bnj h ARG 59 N -1.35 0.00 -0.51 1.20 0.11 -1.99 -2.66 114.38 109.19 1bnj h ARG 59 Ca -0.47 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.61 1bnj h ARG 59 Cb 1.32 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.40 1bnj h ARG 59 CO 0.50 0.20 0.00 0.39 0.10 0.00 0.00 179.97 181.16 1bnj n GLU 60 N -3.85 2.22 -2.04 0.08 1.02 -1.26 -4.96 120.64 111.84 1bnj n GLU 60 Ca -0.02 -1.80 -0.17 0.00 -0.02 0.00 0.00 57.16 55.15 1bnj n GLU 60 Cb 0.29 -1.41 -0.03 0.00 -0.02 0.00 0.00 31.44 30.27 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 1.25 0.37 0.12 0.62 0.00 -1.00 -4.86 105.19 101.68 1bnj n GLY 61 Ca 0.17 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.15 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 0.02 -5.89 1.61 1.57 -1.93 -3.44 116.57 108.52 1bnj h LYS 62 Ca -0.38 -0.02 -0.63 0.00 -1.87 0.00 0.00 60.65 57.75 1bnj h LYS 62 Cb 1.23 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.49 1bnj h LYS 62 CO 0.49 0.75 -0.45 -0.51 -0.57 0.00 0.00 179.45 179.17 1bnj s LEU 63 N -7.36 4.36 0.05 2.94 1.43 -1.26 -4.96 118.68 113.88 1bnj s LEU 63 Ca -0.01 0.42 -0.30 0.00 -1.03 0.00 0.00 54.13 53.21 1bnj s LEU 63 Cb 0.12 -2.76 -0.09 0.00 0.03 0.00 0.00 46.19 43.49 1bnj s LEU 63 CO 0.78 0.22 1.90 -2.16 0.23 0.00 0.00 176.35 177.33 1bnj s PRO 64 N -2.06 4.15 0.43 1.29 0.04 -1.26 -4.98 135.00 132.61 1bnj s PRO 64 Ca 0.30 2.57 -0.05 0.00 0.04 0.00 0.00 61.00 63.86 1bnj s PRO 64 Cb -0.13 -4.00 -0.04 0.00 0.04 0.00 0.00 34.50 30.37 1bnj s PRO 64 CO 0.20 -0.91 0.72 0.20 0.04 0.00 0.00 177.00 177.25 1bnj s GLY 65 N 3.88 1.59 -0.28 0.56 0.00 -1.26 -5.09 107.32 106.73 1bnj s GLY 65 Ca 0.85 -0.51 -0.21 0.00 0.00 0.00 0.00 44.72 44.85 1bnj s GLY 65 CO 0.39 -0.36 0.89 1.25 0.00 0.00 0.00 173.10 175.27 1bnj s LYS 66 N -4.39 0.58 0.09 2.90 2.20 -1.26 -5.08 119.74 114.77 1bnj s LYS 66 Ca 0.47 0.81 -0.31 0.00 -0.36 0.00 0.00 55.97 56.58 1bnj s LYS 66 Cb -0.10 0.22 -0.09 0.00 -1.51 0.00 0.00 37.83 36.34 1bnj s LYS 66 CO 0.40 -0.09 1.73 0.45 -0.36 0.00 0.00 175.35 177.48 1bnj s SER 67 N 0.79 6.53 0.00 1.43 0.15 -1.26 -2.00 113.70 119.33 1bnj s SER 67 Ca -0.03 2.60 0.00 0.00 0.70 0.00 0.00 55.95 59.22 1bnj s SER 67 Cb -0.05 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 1bnj s SER 67 CO -0.09 -0.94 0.00 0.61 1.20 0.00 0.00 173.24 174.02 1bnj n GLY 68 N 4.10 0.77 3.33 9.45 0.00 -1.26 -5.04 105.19 116.54 1bnj n GLY 68 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.59 3.41 -0.13 1.61 3.52 -0.85 -4.90 118.95 121.04 1bnj s ARG 69 Ca 0.00 -0.61 -0.02 0.00 -0.13 0.00 0.00 55.73 54.97 1bnj s ARG 69 Cb 0.00 -3.01 -0.03 0.00 -1.56 0.00 0.00 34.95 30.36 1bnj s ARG 69 CO 0.00 -0.15 -0.06 0.99 -0.81 0.00 0.00 175.30 175.27 1bnj s THR 70 N 1.37 3.76 -0.13 4.11 2.01 -1.26 -4.76 115.64 120.73 1bnj s THR 70 Ca 0.04 -0.42 -0.06 0.00 0.31 0.00 0.00 61.69 61.56 1bnj s THR 70 Cb -0.14 -2.61 -0.04 0.00 0.01 0.00 0.00 72.50 69.72 1bnj s THR 70 CO -0.02 0.53 0.10 0.26 -0.69 0.00 0.00 174.62 174.80 1bnj s TRP 71 N -0.02 3.44 0.27 4.92 0.52 -1.26 -1.53 118.94 125.28 1bnj s TRP 71 Ca 0.00 0.38 0.05 0.00 0.02 0.00 0.00 56.10 56.55 1bnj s TRP 71 Cb -0.13 -1.96 -0.06 0.00 -1.15 0.00 0.00 33.47 30.17 1bnj s TRP 71 CO 0.03 0.55 -0.03 1.03 0.02 0.00 0.00 176.95 178.56 1bnj s ARG 72 N -0.65 1.49 0.22 4.98 0.52 0.64 0.04 118.95 126.21 1bnj s ARG 72 Ca 0.12 -1.77 0.07 0.00 -0.52 0.00 0.00 55.73 53.64 1bnj s ARG 72 Cb -0.12 -0.95 -0.05 0.00 0.52 0.00 0.00 34.95 34.35 1bnj s ARG 72 CO 0.02 -0.03 -0.12 -1.83 0.02 0.00 0.00 175.30 173.36 1bnj s GLU 73 N -3.79 1.37 -0.10 3.54 -1.05 -0.45 -1.84 118.70 116.38 1bnj s GLU 73 Ca 0.30 -1.63 -0.15 0.00 -0.15 0.00 0.00 54.97 53.34 1bnj s GLU 73 Cb 0.05 -1.10 0.03 0.00 -0.44 0.00 0.00 34.13 32.68 1bnj s GLU 73 CO 0.11 0.14 0.38 0.00 0.95 0.00 0.00 175.26 176.84 1bnj s ALA 74 N -3.00 -0.94 0.24 -0.84 0.00 -0.86 0.12 121.76 116.47 1bnj s ALA 74 Ca 0.24 0.86 -0.30 0.00 0.00 0.00 0.00 51.96 52.76 1bnj s ALA 74 Cb 0.00 -0.38 -0.09 0.00 0.00 0.00 0.00 23.12 22.66 1bnj s ALA 74 CO 0.08 -0.22 1.06 -0.51 0.00 0.00 0.00 175.76 176.17 1bnj s ASP 75 N -0.35 7.36 0.17 0.00 1.11 -0.15 -0.86 116.67 123.95 1bnj s ASP 75 Ca -0.05 2.14 0.11 0.00 0.18 0.00 0.00 52.55 54.93 1bnj s ASP 75 Cb -0.03 -2.62 -0.04 0.00 1.07 0.00 0.00 42.92 41.30 1bnj s ASP 75 CO 0.02 -0.09 -0.23 -0.63 1.18 0.00 0.00 175.17 175.42 1bnj s ILE 76 N -0.90 2.43 -1.66 0.77 -1.09 -0.31 -4.69 121.20 115.74 1bnj s ILE 76 Ca 0.45 -1.88 -0.01 0.00 -2.23 0.00 0.00 60.65 56.98 1bnj s ILE 76 Cb -0.30 -2.14 0.00 0.00 -1.58 0.00 0.00 42.46 38.45 1bnj s ILE 76 CO 0.37 -0.04 0.14 0.59 -1.23 0.00 0.00 174.94 174.77 1bnj n ASN 77 N 0.48 -5.74 -4.84 3.58 3.02 0.83 -4.51 115.26 108.08 1bnj n ASN 77 Ca -0.14 -0.06 -0.38 0.00 -0.03 0.00 0.00 54.58 53.97 1bnj n ASN 77 Cb 0.55 -4.75 -0.06 0.00 -0.61 0.00 0.00 39.78 34.90 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 -3.03 3.66 0.00 3.10 5.04 -1.26 -4.97 117.35 119.89 1bnj s TYR 78 Ca 0.07 0.79 0.00 0.00 -2.44 0.00 0.00 57.07 55.50 1bnj s TYR 78 Cb -0.03 -2.16 0.00 0.00 0.35 0.00 0.00 41.96 40.11 1bnj s TYR 78 CO 0.09 0.65 0.00 0.25 -1.34 0.00 0.00 175.55 175.20 1bnj n THR 79 N 2.00 0.00 -3.84 4.34 -2.24 -1.26 -4.93 114.28 108.35 1bnj n THR 79 Ca -0.16 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.55 1bnj n THR 79 Cb 0.53 -1.00 -0.02 0.00 -2.10 0.00 0.00 70.33 67.75 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 -4.66 -0.22 0.00 3.42 1.04 -1.26 -4.77 113.70 107.25 1bnj s SER 80 Ca 0.00 -0.63 0.00 0.00 0.48 0.00 0.00 55.95 55.80 1bnj s SER 80 Cb 0.00 0.71 0.00 0.00 0.10 0.00 0.00 66.02 66.83 1bnj s SER 80 CO 0.00 -1.32 0.00 0.61 0.98 0.00 0.00 173.24 173.51 1bnj n GLY 81 N -0.47 -1.20 3.74 7.32 0.00 -1.25 -4.87 105.19 108.45 1bnj n GLY 81 Ca -0.05 -1.32 -0.35 0.00 0.00 0.00 0.00 46.02 44.30 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 2.20 0.66 1.61 0.08 -1.26 -4.60 117.98 116.67 1bnj s PHE 82 Ca 0.00 1.54 -0.15 0.00 0.12 0.00 0.00 56.93 58.44 1bnj s PHE 82 Cb 0.00 -3.51 -0.00 0.00 -0.57 0.00 0.00 43.02 38.94 1bnj s PHE 82 CO 0.00 -2.50 1.12 1.03 -0.10 0.00 0.00 175.22 174.77 1bnj s ARG 83 N -3.60 2.79 0.00 0.44 0.52 -1.26 -4.98 118.95 112.86 1bnj s ARG 83 Ca 0.77 1.44 0.00 0.00 -0.52 0.00 0.00 55.73 57.42 1bnj s ARG 83 Cb -0.31 -1.94 0.00 0.00 0.52 0.00 0.00 34.95 33.22 1bnj s ARG 83 CO 0.40 -1.27 0.00 0.27 0.02 0.00 0.00 175.30 174.72 1bnj n ASN 84 N -2.35 0.00 -0.84 0.23 0.23 -1.26 -5.04 115.26 106.22 1bnj n ASN 84 Ca 0.11 -0.48 0.09 0.00 -0.53 0.00 0.00 54.58 53.77 1bnj n ASN 84 Cb 0.52 0.00 0.15 0.00 -2.08 0.00 0.00 39.78 38.37 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 -1.43 2.93 -4.70 0.53 3.41 -1.26 -4.95 113.62 108.16 1bnj n SER 85 Ca 0.00 -1.86 -0.40 0.00 -0.26 0.00 0.00 58.87 56.35 1bnj n SER 85 Cb 0.00 -0.17 -0.05 0.00 -0.26 0.00 0.00 64.21 63.73 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 -1.24 6.89 -0.02 4.04 1.01 -1.26 -2.21 116.67 123.88 1bnj s ASP 86 Ca 0.28 1.08 -0.03 0.00 0.71 0.00 0.00 52.55 54.59 1bnj s ASP 86 Cb 0.17 -2.39 0.01 0.00 1.01 0.00 0.00 42.92 41.71 1bnj s ASP 86 CO 0.23 -0.18 0.07 -0.13 0.21 0.00 0.00 175.17 175.37 1bnj s ARG 87 N 1.23 0.12 -0.14 8.23 1.81 -0.63 -1.16 118.95 128.42 1bnj s ARG 87 Ca 0.35 0.03 -0.08 0.00 -1.72 0.00 0.00 55.73 54.31 1bnj s ARG 87 Cb -0.17 0.06 -0.04 0.00 -0.45 0.00 0.00 34.95 34.34 1bnj s ARG 87 CO 0.15 -0.02 0.14 -1.50 -0.68 0.00 0.00 175.30 173.39 1bnj s ILE 88 N -0.14 5.48 -0.12 1.52 2.07 -0.04 -2.45 121.20 127.53 1bnj s ILE 88 Ca -0.02 0.22 0.02 0.00 -1.41 0.00 0.00 60.65 59.46 1bnj s ILE 88 Cb -0.02 -3.42 -0.01 0.00 0.13 0.00 0.00 42.46 39.14 1bnj s ILE 88 CO 0.00 0.58 -0.19 -0.76 -1.91 0.00 0.00 174.94 172.66 1bnj s LEU 89 N -0.70 2.39 -0.04 8.50 1.43 0.42 -2.03 118.68 128.65 1bnj s LEU 89 Ca 0.14 -0.45 0.01 0.00 -1.03 0.00 0.00 54.13 52.79 1bnj s LEU 89 Cb -0.12 -1.51 0.02 0.00 0.03 0.00 0.00 46.19 44.62 1bnj s LEU 89 CO 0.03 0.16 -0.03 -0.72 0.23 0.00 0.00 176.35 176.02 1bnj s TYR 90 N 0.37 0.60 0.64 0.29 1.13 -0.77 0.15 117.35 119.75 1bnj s TYR 90 Ca -0.15 -0.13 0.00 0.00 -1.41 0.00 0.00 57.07 55.38 1bnj s TYR 90 Cb -0.17 -0.57 0.08 0.00 -1.10 0.00 0.00 41.96 40.20 1bnj s TYR 90 CO 0.07 -0.17 0.89 -1.54 -2.51 0.00 0.00 175.55 172.29 1bnj s SER 91 N 0.92 4.82 0.54 -0.18 1.04 -0.76 -0.26 113.70 119.82 1bnj s SER 91 Ca -0.11 -0.17 0.32 0.00 0.48 0.00 0.00 55.95 56.46 1bnj s SER 91 Cb -0.14 -0.46 1.43 0.00 0.10 0.00 0.00 66.02 66.95 1bnj s SER 91 CO -0.00 -1.50 2.02 0.77 0.98 0.00 0.00 173.24 175.50 1bnj h SER 92 N -0.24 0.00 -0.49 7.02 4.64 -1.62 -2.84 113.55 120.01 1bnj h SER 92 Ca -0.39 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 60.78 1bnj h SER 92 Cb 1.28 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.29 1bnj h SER 92 CO 0.47 0.08 0.11 -0.90 -0.87 0.00 0.00 176.83 175.71 1bnj n ASP 93 N -3.27 3.90 -3.64 4.97 5.75 -1.26 -4.97 116.55 118.03 1bnj n ASP 93 Ca -0.01 -3.31 -0.23 0.00 -0.01 0.00 0.00 54.79 51.24 1bnj n ASP 93 Cb 0.29 -0.66 0.06 0.00 -1.03 0.00 0.00 41.12 39.78 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 -0.55 -2.40 -2.84 2.11 7.02 -1.07 -5.02 117.44 114.69 1bnj n TRP 94 Ca 0.33 0.94 -0.41 0.00 -1.02 0.00 0.00 57.50 57.35 1bnj n TRP 94 Cb 1.15 -4.71 -0.04 0.00 -2.42 0.00 0.00 31.31 25.29 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 -6.94 4.45 -0.18 -0.99 1.43 -1.26 -4.87 118.68 110.32 1bnj s LEU 95 Ca 0.34 1.61 0.01 0.00 -1.03 0.00 0.00 54.13 55.06 1bnj s LEU 95 Cb -0.16 -3.42 0.02 0.00 0.03 0.00 0.00 46.19 42.66 1bnj s LEU 95 CO 0.77 -0.06 -0.20 -0.63 0.23 0.00 0.00 176.35 176.46 1bnj s ILE 96 N 0.15 2.05 0.21 -0.59 -1.09 -0.90 -1.82 121.20 119.20 1bnj s ILE 96 Ca 0.44 -0.95 0.11 0.00 -2.23 0.00 0.00 60.65 58.02 1bnj s ILE 96 Cb -0.22 -1.86 -0.04 0.00 -1.58 0.00 0.00 42.46 38.76 1bnj s ILE 96 CO 0.26 0.52 -0.20 -0.31 -1.23 0.00 0.00 174.94 173.99 1bnj s TYR 97 N 1.29 2.38 0.13 3.97 1.51 0.12 -0.54 117.35 126.21 1bnj s TYR 97 Ca 0.05 -0.32 0.06 0.00 -1.01 0.00 0.00 57.07 55.85 1bnj s TYR 97 Cb -0.13 -1.14 -0.04 0.00 -0.11 0.00 0.00 41.96 40.54 1bnj s TYR 97 CO -0.13 0.55 -0.15 -1.59 -1.11 0.00 0.00 175.55 173.13 1bnj s LYS 98 N -2.90 1.05 -0.00 -0.62 -2.85 0.71 0.16 119.74 115.29 1bnj s LYS 98 Ca 0.24 -1.26 0.01 0.00 -1.00 0.00 0.00 55.97 53.96 1bnj s LYS 98 Cb -0.07 -0.95 -0.00 0.00 -2.06 0.00 0.00 37.83 34.74 1bnj s LYS 98 CO 0.12 0.18 -0.04 -0.08 0.10 0.00 0.00 175.35 175.64 1bnj s THR 99 N -2.12 0.29 -0.02 3.79 -1.32 -1.03 -2.19 115.64 113.05 1bnj s THR 99 Ca 0.10 -0.16 0.03 0.00 -1.21 0.00 0.00 61.69 60.44 1bnj s THR 99 Cb -0.05 -0.25 0.04 0.00 -1.51 0.00 0.00 72.50 70.73 1bnj s THR 99 CO 0.03 0.08 0.94 0.35 -2.21 0.00 0.00 174.62 173.81 1bnj n THR 100 N 2.98 0.92 -2.77 5.08 -2.24 -1.26 -1.60 114.28 115.40 1bnj n THR 100 Ca -0.13 -0.98 -0.04 0.00 -2.27 0.00 0.00 64.05 60.64 1bnj n THR 100 Cb 0.59 0.48 0.04 0.00 -2.10 0.00 0.00 70.33 69.34 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 -0.53 1.42 -2.29 3.42 5.68 -1.22 -4.66 116.55 118.38 1bnj n ASP 101 Ca 0.02 -2.30 -0.15 0.00 -0.50 0.00 0.00 54.79 51.87 1bnj n ASP 101 Cb 0.36 -0.46 0.04 0.00 -1.14 0.00 0.00 41.12 39.92 1bnj n ASP 101 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1bnj n HIS 102 N -0.41 -1.63 -1.82 2.11 8.25 -0.94 -3.38 115.22 117.41 1bnj n HIS 102 Ca 0.07 0.54 -0.16 0.00 -0.26 0.00 0.00 57.72 57.91 1bnj n HIS 102 Cb 0.81 -3.41 -0.04 0.00 1.12 0.00 0.00 29.99 28.46 1bnj n HIS 102 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1bnj n TYR 103 N -4.05 -0.32 0.08 4.41 4.01 -1.26 -4.89 117.16 115.13 1bnj n TYR 103 Ca -0.02 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.50 1bnj n TYR 103 Cb 0.55 -3.00 -0.15 0.00 -0.31 0.00 0.00 39.34 36.42 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 0.00 0.40 -4.56 -0.72 4.20 -1.98 -3.47 115.11 108.98 1bnj h GLN 104 Ca -0.35 -0.68 -0.30 0.00 0.06 0.00 0.00 58.65 57.38 1bnj h GLN 104 Cb 1.15 0.25 -0.23 0.00 0.30 0.00 0.00 27.48 28.94 1bnj h GLN 104 CO 0.47 1.32 -0.74 0.95 -0.67 0.00 0.00 178.83 180.16 1bnj s THR 105 N -2.54 0.55 0.06 -0.54 -4.23 -1.26 -5.10 115.64 102.58 1bnj s THR 105 Ca -0.14 -0.85 0.06 0.00 -1.18 0.00 0.00 61.69 59.58 1bnj s THR 105 Cb 0.04 -0.57 -0.03 0.00 1.34 0.00 0.00 72.50 73.28 1bnj s THR 105 CO 0.86 -0.22 -0.17 -0.36 -0.54 0.00 0.00 174.62 174.19 1bnj s PHE 106 N -1.00 1.47 0.00 3.99 0.08 -1.26 -4.13 117.98 117.13 1bnj s PHE 106 Ca -0.06 -0.39 -0.01 0.00 0.12 0.00 0.00 56.93 56.60 1bnj s PHE 106 Cb -0.08 -0.85 -0.01 0.00 -0.57 0.00 0.00 43.02 41.52 1bnj s PHE 106 CO 0.00 0.08 0.01 0.95 -0.10 0.00 0.00 175.22 176.17 1bnj s THR 107 N -0.96 0.04 0.22 0.64 -4.23 -0.93 -4.96 115.64 105.47 1bnj s THR 107 Ca 0.03 -0.35 -0.30 0.00 -1.18 0.00 0.00 61.69 59.89 1bnj s THR 107 Cb -0.09 -0.14 -0.09 0.00 1.34 0.00 0.00 72.50 73.52 1bnj s THR 107 CO 0.02 -0.19 1.39 -0.75 -0.54 0.00 0.00 174.62 174.55 1bnj s LYS 108 N -0.57 4.31 0.00 3.99 2.20 -1.26 -0.21 119.74 128.21 1bnj s LYS 108 Ca -0.06 2.20 0.00 0.00 -0.36 0.00 0.00 55.97 57.75 1bnj s LYS 108 Cb -0.04 -3.15 0.00 0.00 -1.51 0.00 0.00 37.83 33.13 1bnj s LYS 108 CO -0.00 -0.36 0.00 0.44 -0.36 0.00 0.00 175.35 175.06 1bnj n ILE 109 N 2.56 0.00 -1.21 5.43 -5.35 0.30 -4.90 119.36 116.18 1bnj n ILE 109 Ca 0.07 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.55 1bnj n ILE 109 Cb 0.41 -0.10 0.00 0.00 -1.74 0.00 0.00 39.64 38.21 1bnj n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33