#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1brj s ILE 4 N nan 2.44 -0.01 0.00 1.01 -1.26 -4.92 121.20 nan 1brj s ILE 4 Ca nan -1.36 0.17 0.00 0.00 0.00 0.00 60.65 nan 1brj s ILE 4 Cb nan -2.33 0.29 0.00 0.01 0.00 0.00 42.46 nan 1brj s ILE 4 CO nan 0.09 1.12 -0.46 0.00 0.00 0.00 174.94 nan 1brj n ASN 5 N 4.54 0.35 -4.76 3.58 6.94 -1.26 -4.78 115.26 119.87 1brj n ASN 5 Ca -0.15 -2.00 -0.24 0.00 -0.02 0.00 0.00 54.58 52.16 1brj n ASN 5 Cb 0.44 -0.10 -0.06 0.00 -2.36 0.00 0.00 39.78 37.71 1brj n ASN 5 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1brj s THR 6 N -0.08 4.20 0.19 5.53 -4.23 -1.26 -1.05 115.64 118.94 1brj s THR 6 Ca 0.23 -1.36 -0.13 0.00 -1.18 0.00 0.00 61.69 59.26 1brj s THR 6 Cb 0.26 -3.19 0.13 0.00 1.34 0.00 0.00 72.50 71.05 1brj s THR 6 CO -0.11 -0.22 1.69 -0.26 -0.54 0.00 0.00 174.62 175.18 1brj h PHE 7 N 2.11 0.06 -0.15 3.99 0.04 -1.99 -0.06 116.94 120.93 1brj h PHE 7 Ca -0.47 0.04 -0.21 0.00 2.80 0.00 0.00 57.97 60.12 1brj h PHE 7 Cb 1.22 0.05 0.01 0.00 2.20 0.00 0.00 35.95 39.43 1brj h PHE 7 CO 0.59 -0.08 -0.72 -0.44 -0.60 0.00 0.00 178.31 177.07 1brj h ASP 8 N 0.17 0.89 -0.37 2.17 3.32 -1.98 -2.12 116.42 118.49 1brj h ASP 8 Ca 0.27 -0.63 -0.04 0.00 0.02 0.00 0.00 57.03 56.65 1brj h ASP 8 Cb 0.39 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 1brj h ASP 8 CO -0.40 1.37 0.06 1.23 -1.72 0.00 0.00 179.24 179.78 1brj h GLY 9 N 0.46 0.66 1.31 2.75 0.00 -1.94 -1.46 103.07 104.85 1brj h GLY 9 Ca -0.05 -0.44 -0.22 0.00 0.00 0.00 0.00 47.33 46.62 1brj h GLY 9 CO 0.15 0.41 -0.84 -0.39 0.00 0.00 0.00 176.54 175.87 1brj h VAL 10 N 0.45 1.31 -0.42 4.60 -1.51 -1.05 -1.45 116.25 118.18 1brj h VAL 10 Ca 0.11 -2.11 0.04 0.00 -1.23 0.00 0.00 66.70 63.51 1brj h VAL 10 Cb 0.36 2.13 -0.04 0.00 -2.13 0.00 0.00 31.29 31.61 1brj h VAL 10 CO 0.01 0.65 0.20 0.00 -1.23 0.00 0.00 177.57 177.20 1brj h ALA 11 N 0.63 0.52 -0.39 5.19 0.00 -1.35 0.12 119.26 123.96 1brj h ALA 11 Ca -0.07 0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.71 1brj h ALA 11 Cb 1.46 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 1brj h ALA 11 CO 0.16 -0.16 -0.35 -0.44 0.00 0.00 0.00 179.25 178.46 1brj h ASP 12 N 0.40 0.97 -0.69 0.00 3.32 -1.28 -2.94 116.42 116.22 1brj h ASP 12 Ca 0.18 -0.43 0.02 0.00 0.02 0.00 0.00 57.03 56.82 1brj h ASP 12 Cb 0.10 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.34 1brj h ASP 12 CO -0.14 1.22 0.44 0.22 -1.72 0.00 0.00 179.24 179.27 1brj h TYR 13 N 0.76 0.83 -0.33 4.55 5.03 -0.89 -3.04 116.97 123.88 1brj h TYR 13 Ca 0.07 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.40 1brj h TYR 13 Cb 0.94 -0.28 -0.02 0.00 1.55 0.00 0.00 36.73 38.92 1brj h TYR 13 CO 0.06 0.50 0.22 -0.07 -1.32 0.00 0.00 178.16 177.55 1brj h LEU 14 N 0.89 0.38 -1.30 2.82 3.38 -0.64 -1.43 115.31 119.41 1brj h LEU 14 Ca 0.26 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 1brj h LEU 14 Cb -0.05 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 1brj h LEU 14 CO -0.08 0.29 0.31 1.56 0.09 0.00 0.00 178.44 180.61 1brj h GLN 15 N 0.45 0.78 0.00 1.13 4.20 -1.46 0.79 115.11 121.00 1brj h GLN 15 Ca 0.12 -0.08 -0.13 0.00 0.06 0.00 0.00 58.65 58.62 1brj h GLN 15 Cb -0.04 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.56 1brj h GLN 15 CO -0.03 0.58 -0.72 1.15 -0.67 0.00 0.00 178.83 179.14 1brj h THR 16 N 0.79 1.30 0.00 -0.54 2.02 -1.56 -3.40 112.91 111.52 1brj h THR 16 Ca 0.20 -2.26 0.00 0.00 0.77 0.00 0.00 66.41 65.12 1brj h THR 16 Cb 0.03 2.74 0.00 0.00 -1.74 0.00 0.00 68.15 69.18 1brj h THR 16 CO -0.03 0.45 -1.38 -1.22 0.37 0.00 0.00 175.52 173.71 1brj n TYR 17 N -4.49 0.05 -2.70 3.16 4.01 -0.54 -5.03 117.16 111.62 1brj n TYR 17 Ca -0.22 0.01 -0.20 0.00 -0.16 0.00 0.00 57.90 57.33 1brj n TYR 17 Cb 0.60 -0.27 0.01 0.00 -0.31 0.00 0.00 39.34 39.37 1brj n TYR 17 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1brj n HIS 18 N -1.87 -1.46 -3.49 -0.72 8.25 0.28 -4.97 115.22 111.23 1brj n HIS 18 Ca 0.01 0.22 -0.12 0.00 -0.26 0.00 0.00 57.72 57.57 1brj n HIS 18 Cb 0.44 -3.93 -0.03 0.00 1.12 0.00 0.00 29.99 27.59 1brj n HIS 18 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1brj s LYS 19 N -5.35 1.20 0.53 -0.41 0.00 -1.26 -5.05 119.74 109.40 1brj s LYS 19 Ca 0.14 -0.48 -0.16 0.00 0.00 0.00 0.00 55.97 55.47 1brj s LYS 19 Cb -0.06 0.55 -0.07 0.00 0.00 0.00 0.00 37.83 38.24 1brj s LYS 19 CO 0.17 -0.50 1.00 -0.51 0.00 0.00 0.00 175.35 175.51 1brj s LEU 20 N -2.63 3.58 1.03 2.77 1.43 -1.26 -4.27 118.68 119.32 1brj s LEU 20 Ca 0.00 1.59 -0.11 0.00 -1.03 0.00 0.00 54.13 54.58 1brj s LEU 20 Cb -0.00 -4.51 0.21 0.00 0.03 0.00 0.00 46.19 41.92 1brj s LEU 20 CO -0.11 -0.68 1.10 -2.84 0.23 0.00 0.00 176.35 174.05 1brj s PRO 21 N -4.16 0.14 0.58 1.29 0.02 -1.26 -4.90 135.00 126.72 1brj s PRO 21 Ca 0.59 1.27 0.39 0.00 0.02 0.00 0.00 61.00 63.27 1brj s PRO 21 Cb -0.11 -1.65 2.00 0.00 0.02 0.00 0.00 34.50 34.77 1brj s PRO 21 CO 0.34 -3.14 2.18 -0.44 -0.33 0.00 0.00 177.00 175.60 1brj h ASP 22 N -2.23 0.00 0.00 2.53 3.32 -1.96 -3.17 116.42 114.92 1brj h ASP 22 Ca -0.51 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.54 1brj h ASP 22 Cb 1.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.85 1brj h ASP 22 CO 0.45 0.00 0.00 -0.46 -1.72 0.00 0.00 179.24 177.51 1brj n ASN 23 N -2.94 0.00 -4.70 6.45 6.94 -1.26 -4.81 115.26 114.94 1brj n ASN 23 Ca -0.02 -1.73 -0.35 0.00 -0.02 0.00 0.00 54.58 52.46 1brj n ASN 23 Cb 0.12 0.00 -0.09 0.00 -2.36 0.00 0.00 39.78 37.45 1brj n ASN 23 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1brj s TYR 24 N -2.00 3.21 -0.02 -2.53 2.02 -1.20 -0.31 117.35 116.52 1brj s TYR 24 Ca 0.08 0.21 -0.04 0.00 -0.37 0.00 0.00 57.07 56.95 1brj s TYR 24 Cb 0.04 -1.82 0.00 0.00 -0.40 0.00 0.00 41.96 39.78 1brj s TYR 24 CO 0.06 0.47 0.09 0.96 -1.57 0.00 0.00 175.55 175.56 1brj s ILE 25 N -0.81 0.04 0.82 2.71 -4.36 -0.86 -4.93 121.20 113.82 1brj s ILE 25 Ca 0.12 -0.31 -0.12 0.00 -0.26 0.00 0.00 60.65 60.09 1brj s ILE 25 Cb -0.12 -0.24 0.08 0.00 1.25 0.00 0.00 42.46 43.44 1brj s ILE 25 CO 0.02 -0.17 1.14 0.42 0.24 0.00 0.00 174.94 176.59 1brj s THR 26 N -0.53 2.48 0.37 8.37 -4.23 -1.18 -1.27 115.64 119.64 1brj s THR 26 Ca -0.06 0.15 0.07 0.00 -1.18 0.00 0.00 61.69 60.68 1brj s THR 26 Cb -0.04 -3.02 0.30 0.00 1.34 0.00 0.00 72.50 71.08 1brj s THR 26 CO 0.00 -0.20 1.94 0.11 -0.54 0.00 0.00 174.62 175.93 1brj h LYS 27 N -1.13 0.69 -0.37 3.99 1.57 -1.96 -1.64 116.57 117.72 1brj h LYS 27 Ca -0.47 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.19 1brj h LYS 27 Cb 1.30 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.45 1brj h LYS 27 CO 0.63 0.46 -0.06 0.77 -0.57 0.00 0.00 179.45 180.67 1brj h SER 28 N 0.71 0.69 -0.09 0.86 0.02 -1.99 -1.67 113.55 112.07 1brj h SER 28 Ca 0.35 -0.35 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1brj h SER 28 Cb 0.41 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.76 1brj h SER 28 CO -0.13 0.87 0.05 -0.33 -1.14 0.00 0.00 176.83 176.16 1brj h GLU 29 N 0.49 0.13 -0.42 3.45 5.08 -1.83 -2.36 114.58 119.13 1brj h GLU 29 Ca 0.10 -0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.52 1brj h GLU 29 Cb 0.56 -0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.70 1brj h GLU 29 CO 0.03 0.17 -0.11 0.00 -1.00 0.00 0.00 179.01 178.10 1brj h ALA 30 N 0.95 0.27 -0.85 3.43 0.00 -1.20 -2.45 119.26 119.41 1brj h ALA 30 Ca 0.03 0.16 0.04 0.00 0.00 0.00 0.00 54.91 55.14 1brj h ALA 30 Cb 0.08 0.32 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 1brj h ALA 30 CO -0.00 -0.45 0.54 1.96 0.00 0.00 0.00 179.25 181.29 1brj h GLN 31 N -0.00 1.01 0.00 0.00 4.20 -1.17 -1.82 115.11 117.33 1brj h GLN 31 Ca 0.20 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.84 1brj h GLN 31 Cb 0.31 -0.23 -0.00 0.00 0.30 0.00 0.00 27.48 27.86 1brj h GLN 31 CO -0.43 0.67 -0.03 0.00 -0.67 0.00 0.00 178.83 178.37 1brj h ALA 32 N 1.36 1.10 0.00 3.87 0.00 -0.94 -2.23 119.26 122.42 1brj h ALA 32 Ca 0.34 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1brj h ALA 32 Cb 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1brj h ALA 32 CO -0.13 0.03 -0.68 -0.07 0.00 0.00 0.00 179.25 178.40 1brj h LEU 33 N 0.00 0.00 0.00 0.00 3.38 -1.17 -3.48 115.31 114.04 1brj h LEU 33 Ca -0.00 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1brj h LEU 33 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1brj h LEU 33 CO 0.00 0.10 0.00 0.61 0.09 0.00 0.00 178.44 179.24 1brj n GLY 34 N 1.32 1.35 3.69 0.83 0.00 -0.84 -4.96 105.19 106.59 1brj n GLY 34 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1brj n GLY 34 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1brj s TRP 35 N -2.00 3.31 -0.38 1.61 -0.00 -1.11 -4.95 118.94 115.42 1brj s TRP 35 Ca 0.00 1.32 -0.01 0.00 -0.00 0.00 0.00 56.10 57.40 1brj s TRP 35 Cb 0.00 -3.37 0.10 0.00 -0.00 0.00 0.00 33.47 30.20 1brj s TRP 35 CO 0.00 -1.07 0.15 0.08 -0.00 0.00 0.00 176.95 176.11 1brj s VAL 36 N 1.87 3.03 0.27 5.86 1.01 -1.26 -4.51 120.40 126.66 1brj s VAL 36 Ca 0.55 -2.05 -0.01 0.00 0.00 0.00 0.00 61.98 60.47 1brj s VAL 36 Cb -0.24 -3.07 0.27 0.00 0.00 0.00 0.00 36.38 33.33 1brj s VAL 36 CO 0.23 -0.60 1.85 0.00 0.00 0.00 0.00 175.10 176.58 1brj h ALA 37 N 7.95 1.41 0.00 5.51 0.00 -1.99 -1.30 119.26 130.84 1brj h ALA 37 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1brj h ALA 37 Cb 1.04 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1brj h ALA 37 CO 0.64 0.31 0.00 0.43 0.00 0.00 0.00 179.25 180.63 1brj n SER 38 N -4.58 0.21 -0.04 0.00 7.64 -1.26 -2.35 113.62 113.24 1brj n SER 38 Ca 0.17 0.57 0.08 0.00 1.01 0.00 0.00 58.87 60.69 1brj n SER 38 Cb 0.27 -0.61 -0.08 0.00 -1.01 0.00 0.00 64.21 62.78 1brj n SER 38 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1brj n LYS 39 N -1.75 1.76 -3.58 1.43 5.02 -0.51 -5.01 118.16 115.53 1brj n LYS 39 Ca 0.02 -0.09 -0.24 0.00 -2.02 0.00 0.00 58.31 55.98 1brj n LYS 39 Cb 0.13 -1.25 0.08 0.00 -0.02 0.00 0.00 35.03 33.97 1brj n LYS 39 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1brj n GLY 40 N 1.35 -0.55 1.08 0.72 0.00 -0.99 -4.89 105.19 101.91 1brj n GLY 40 Ca 0.03 0.25 0.08 0.00 0.00 0.00 0.00 46.02 46.39 1brj n GLY 40 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1brj n ASN 41 N -3.00 4.18 -0.13 1.61 6.94 -1.25 -3.57 115.26 120.04 1brj n ASN 41 Ca 0.00 -3.03 -0.04 0.00 -0.02 0.00 0.00 54.58 51.49 1brj n ASN 41 Cb 0.56 -0.57 0.03 0.00 -2.36 0.00 0.00 39.78 37.44 1brj n ASN 41 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1brj h LEU 42 N 2.15 -0.33 -1.78 -4.53 5.85 -1.87 -0.97 115.31 113.84 1brj h LEU 42 Ca 0.01 0.12 0.05 0.00 0.84 0.00 0.00 57.88 58.90 1brj h LEU 42 Cb 1.56 0.24 -0.02 0.00 0.37 0.00 0.00 40.66 42.81 1brj h LEU 42 CO 0.28 -0.11 0.24 0.00 -0.34 0.00 0.00 178.44 178.51 1brj h ALA 43 N 1.42 1.98 -0.08 1.25 0.00 -1.85 0.22 119.26 122.21 1brj h ALA 43 Ca 0.21 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.87 1brj h ALA 43 Cb 0.32 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.05 1brj h ALA 43 CO -0.42 -0.04 -0.90 -0.44 0.00 0.00 0.00 179.25 177.45 1brj h ASP 44 N 0.28 0.88 0.30 0.00 3.32 -1.56 -3.09 116.42 116.56 1brj h ASP 44 Ca 0.16 -0.63 -0.33 0.00 0.02 0.00 0.00 57.03 56.24 1brj h ASP 44 Cb 0.26 -0.26 0.02 0.00 0.22 0.00 0.00 39.33 39.57 1brj h ASP 44 CO -0.03 1.43 -1.56 -0.37 -1.72 0.00 0.00 179.24 176.99 1brj h VAL 45 N 0.45 1.16 -2.58 -1.35 -1.51 -0.71 -3.41 116.25 108.30 1brj h VAL 45 Ca -0.08 -2.69 -0.60 0.00 -1.23 0.00 0.00 66.70 62.10 1brj h VAL 45 Cb 1.53 2.90 -0.40 0.00 -2.13 0.00 0.00 31.29 33.19 1brj h VAL 45 CO 0.18 0.84 -0.83 0.00 -1.23 0.00 0.00 177.57 176.52 1brj n ALA 46 N -2.74 3.07 -1.65 5.19 0.00 0.01 -5.05 120.51 119.34 1brj n ALA 46 Ca -0.19 -3.67 -0.46 0.00 0.00 0.00 0.00 53.44 49.12 1brj n ALA 46 Cb 1.08 -0.85 -0.03 0.00 0.00 0.00 0.00 19.45 19.64 1brj n ALA 46 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1brj n PRO 47 N 2.38 1.91 -0.70 0.00 -0.02 -1.17 -2.25 135.00 135.16 1brj n PRO 47 Ca 0.26 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.42 1brj n PRO 47 Cb 0.44 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 1brj n PRO 47 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1brj n GLY 48 N 2.54 1.22 3.90 -1.23 0.00 -1.26 -5.03 105.19 105.33 1brj n GLY 48 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 1brj n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1brj s LYS 49 N -0.15 3.66 0.06 1.61 -0.14 -0.95 -4.82 119.74 119.01 1brj s LYS 49 Ca 0.00 0.02 0.05 0.00 -1.36 0.00 0.00 55.97 54.68 1brj s LYS 49 Cb 0.00 -2.69 -0.03 0.00 -1.68 0.00 0.00 37.83 33.43 1brj s LYS 49 CO 0.00 0.29 -0.14 -1.12 -0.76 0.00 0.00 175.35 173.62 1brj s SER 50 N -2.88 1.67 0.14 2.83 0.01 0.57 -4.81 113.70 111.23 1brj s SER 50 Ca 0.44 -0.56 -0.30 0.00 1.31 0.00 0.00 55.95 56.84 1brj s SER 50 Cb -0.11 -0.07 -0.07 0.00 0.21 0.00 0.00 66.02 65.98 1brj s SER 50 CO 0.27 -0.04 1.03 -0.63 0.41 0.00 0.00 173.24 174.28 1brj s ILE 51 N -1.12 4.20 -0.22 1.44 -1.09 -1.26 -2.02 121.20 121.12 1brj s ILE 51 Ca -0.01 1.86 -0.32 0.00 -2.23 0.00 0.00 60.65 59.95 1brj s ILE 51 Cb -0.09 -4.19 0.16 0.00 -1.58 0.00 0.00 42.46 36.76 1brj s ILE 51 CO 0.02 0.30 1.24 -0.83 -1.23 0.00 0.00 174.94 174.43 1brj s GLY 52 N -0.05 -0.15 0.00 6.18 0.00 -0.40 -0.80 107.32 112.11 1brj s GLY 52 Ca 0.48 2.11 0.00 0.00 0.00 0.00 0.00 44.72 47.32 1brj s GLY 52 CO 0.32 0.82 0.00 0.61 0.00 0.00 0.00 173.10 174.85 1brj n GLY 53 N 0.26 0.85 3.81 0.20 0.00 0.17 -3.11 105.19 107.36 1brj n GLY 53 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 1brj n GLY 53 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1brj s ASP 54 N -1.98 6.13 0.33 1.61 1.01 -1.21 -4.75 116.67 117.81 1brj s ASP 54 Ca 0.00 1.82 -0.28 0.00 0.71 0.00 0.00 52.55 54.79 1brj s ASP 54 Cb 0.00 -2.54 -0.10 0.00 1.01 0.00 0.00 42.92 41.29 1brj s ASP 54 CO 0.00 -0.92 1.22 -0.63 0.21 0.00 0.00 175.17 175.05 1brj s ILE 55 N -2.30 3.01 -0.19 0.77 1.01 -1.26 -0.92 121.20 121.31 1brj s ILE 55 Ca 0.64 0.99 -0.04 0.00 0.00 0.00 0.00 60.65 62.25 1brj s ILE 55 Cb -0.15 -3.62 -0.02 0.00 0.01 0.00 0.00 42.46 38.69 1brj s ILE 55 CO 0.29 0.21 -0.04 0.12 0.00 0.00 0.00 174.94 175.52 1brj s PHE 56 N -1.19 2.97 0.19 3.97 5.36 -0.42 -4.82 117.98 124.04 1brj s PHE 56 Ca 0.49 -0.68 -0.07 0.00 -0.96 0.00 0.00 56.93 55.71 1brj s PHE 56 Cb -0.36 -2.04 0.12 0.00 -0.34 0.00 0.00 43.02 40.39 1brj s PHE 56 CO 0.47 -0.35 1.64 0.66 -1.46 0.00 0.00 175.22 176.19 1brj h SER 57 N 7.55 0.98 -4.67 6.13 4.64 -1.96 -3.39 113.55 122.83 1brj h SER 57 Ca -0.36 -0.30 -0.26 0.00 -0.47 0.00 0.00 61.79 60.40 1brj h SER 57 Cb 1.18 -0.26 0.12 0.00 -0.31 0.00 0.00 62.40 63.12 1brj h SER 57 CO 0.60 1.06 -0.55 -3.20 -0.87 0.00 0.00 176.83 173.88 1brj n ASN 58 N -4.16 -3.05 0.18 4.97 5.15 -1.26 -4.95 115.26 112.14 1brj n ASN 58 Ca 0.02 -0.44 -0.14 0.00 -0.60 0.00 0.00 54.58 53.42 1brj n ASN 58 Cb 0.37 -3.90 -0.08 0.00 -0.53 0.00 0.00 39.78 35.63 1brj n ASN 58 CO 0.00 0.00 0.00 -0.09 1.40 0.00 0.00 177.26 178.57 1brj h ARG 59 N -1.60 -0.42 0.00 1.20 9.65 -1.99 -2.77 114.38 118.45 1brj h ARG 59 Ca -0.43 0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.48 1brj h ARG 59 Cb 1.26 0.10 0.00 0.00 -1.39 0.00 0.00 29.97 29.93 1brj h ARG 59 CO 0.38 -0.18 0.00 0.39 2.80 0.00 0.00 179.97 183.37 1brj n GLU 60 N -5.21 0.58 -4.07 0.20 1.02 -1.26 -4.88 120.64 107.01 1brj n GLU 60 Ca -0.10 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.70 1brj n GLU 60 Cb 0.24 -1.20 -0.03 0.00 -0.02 0.00 0.00 31.44 30.43 1brj n GLU 60 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1brj n GLY 61 N 0.11 -0.45 0.13 0.62 0.00 -1.04 -4.88 105.19 99.68 1brj n GLY 61 Ca 0.05 0.10 0.13 0.00 0.00 0.00 0.00 46.02 46.31 1brj n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1brj h LYS 62 N -1.18 0.00 -6.13 1.61 6.56 -1.90 -3.45 116.57 112.08 1brj h LYS 62 Ca -0.53 0.00 -0.66 0.00 -1.06 0.00 0.00 60.65 58.39 1brj h LYS 62 Cb 1.35 0.00 -0.13 0.00 -0.57 0.00 0.00 32.23 32.88 1brj h LYS 62 CO 0.73 0.00 -0.63 -0.51 -2.06 0.00 0.00 179.45 176.98 1brj s LEU 63 N -4.99 3.58 0.14 2.94 1.43 -1.26 -4.95 118.68 115.57 1brj s LEU 63 Ca 0.09 0.01 -0.31 0.00 -1.03 0.00 0.00 54.13 52.89 1brj s LEU 63 Cb 0.10 -2.07 -0.09 0.00 0.03 0.00 0.00 46.19 44.16 1brj s LEU 63 CO 0.63 0.27 1.53 -2.16 0.23 0.00 0.00 176.35 176.85 1brj s PRO 64 N -1.62 4.24 0.48 1.29 0.04 -1.26 -5.03 135.00 133.14 1brj s PRO 64 Ca 0.20 2.28 -0.05 0.00 0.04 0.00 0.00 61.00 63.48 1brj s PRO 64 Cb -0.12 -3.22 -0.03 0.00 0.04 0.00 0.00 34.50 31.18 1brj s PRO 64 CO 0.11 -0.57 0.78 0.20 0.04 0.00 0.00 177.00 177.56 1brj s GLY 65 N 1.24 1.50 0.00 0.56 0.00 -1.26 -5.09 107.32 104.27 1brj s GLY 65 Ca 0.69 -0.56 0.00 0.00 0.00 0.00 0.00 44.72 44.85 1brj s GLY 65 CO 0.31 -0.39 0.00 1.17 0.00 0.00 0.00 173.10 174.19 1brj n LYS 66 N -2.26 0.00 -1.43 2.90 4.81 -1.26 -5.05 118.16 115.87 1brj n LYS 66 Ca 0.01 0.00 -0.55 0.00 -0.87 0.00 0.00 58.31 56.89 1brj n LYS 66 Cb 0.55 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.53 1brj n LYS 66 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1brj n SER 67 N 0.00 -0.14 0.00 3.14 7.64 -1.26 0.28 113.62 123.28 1brj n SER 67 Ca 0.00 1.11 0.00 0.00 1.01 0.00 0.00 58.87 60.99 1brj n SER 67 Cb 0.00 -0.89 0.00 0.00 -1.01 0.00 0.00 64.21 62.31 1brj n SER 67 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1brj n GLY 68 N 1.49 0.23 3.65 0.23 0.00 -1.26 -4.99 105.19 104.54 1brj n GLY 68 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 1brj n GLY 68 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1brj s ARG 69 N -1.10 4.12 0.06 1.61 3.52 0.14 -4.96 118.95 122.34 1brj s ARG 69 Ca 0.00 0.15 0.03 0.00 -0.13 0.00 0.00 55.73 55.78 1brj s ARG 69 Cb 0.00 -3.58 -0.04 0.00 -1.56 0.00 0.00 34.95 29.77 1brj s ARG 69 CO 0.00 -0.13 0.05 0.99 -0.81 0.00 0.00 175.30 175.40 1brj s THR 70 N 1.60 4.36 -0.02 4.11 2.01 -1.26 -4.74 115.64 121.70 1brj s THR 70 Ca 0.18 -0.77 0.04 0.00 0.31 0.00 0.00 61.69 61.45 1brj s THR 70 Cb -0.15 -3.07 -0.03 0.00 0.01 0.00 0.00 72.50 69.26 1brj s THR 70 CO 0.08 0.18 -0.14 0.26 -0.69 0.00 0.00 174.62 174.31 1brj s TRP 71 N -1.31 2.70 0.23 4.92 0.52 -1.26 -0.73 118.94 124.01 1brj s TRP 71 Ca 0.27 -0.16 0.02 0.00 0.02 0.00 0.00 56.10 56.25 1brj s TRP 71 Cb -0.12 -1.59 -0.05 0.00 -1.15 0.00 0.00 33.47 30.56 1brj s TRP 71 CO 0.19 0.24 0.03 1.03 0.02 0.00 0.00 176.95 178.45 1brj s ARG 72 N -1.01 1.31 0.16 4.98 0.52 0.11 -1.30 118.95 123.73 1brj s ARG 72 Ca 0.13 -1.67 0.05 0.00 -0.52 0.00 0.00 55.73 53.72 1brj s ARG 72 Cb -0.11 -0.44 -0.05 0.00 0.52 0.00 0.00 34.95 34.88 1brj s ARG 72 CO 0.03 -0.16 -0.10 -1.83 0.02 0.00 0.00 175.30 173.25 1brj s GLU 73 N -3.92 1.12 -0.10 3.54 -1.05 -0.10 -0.65 118.70 117.54 1brj s GLU 73 Ca 0.30 -1.49 -0.08 0.00 -0.15 0.00 0.00 54.97 53.55 1brj s GLU 73 Cb 0.06 -0.70 0.03 0.00 -0.44 0.00 0.00 34.13 33.08 1brj s GLU 73 CO 0.09 0.08 0.25 0.00 0.95 0.00 0.00 175.26 176.63 1brj s ALA 74 N -3.28 -0.61 0.23 -0.84 0.00 -0.77 0.46 121.76 116.96 1brj s ALA 74 Ca 0.19 0.75 -0.30 0.00 0.00 0.00 0.00 51.96 52.59 1brj s ALA 74 Cb 0.02 -0.44 -0.09 0.00 0.00 0.00 0.00 23.12 22.61 1brj s ALA 74 CO 0.02 -0.13 0.97 -0.51 0.00 0.00 0.00 175.76 176.11 1brj s ASP 75 N 0.29 7.57 0.03 0.00 1.11 0.02 -1.31 116.67 124.38 1brj s ASP 75 Ca -0.01 1.99 0.08 0.00 0.18 0.00 0.00 52.55 54.79 1brj s ASP 75 Cb -0.03 -2.61 -0.03 0.00 1.07 0.00 0.00 42.92 41.32 1brj s ASP 75 CO -0.01 0.08 -0.23 -0.63 1.18 0.00 0.00 175.17 175.57 1brj s ILE 76 N -1.06 2.42 -1.39 0.77 -1.09 -0.94 -4.74 121.20 115.17 1brj s ILE 76 Ca 0.42 -1.25 0.00 0.00 -2.23 0.00 0.00 60.65 57.59 1brj s ILE 76 Cb -0.27 -1.96 0.00 0.00 -1.58 0.00 0.00 42.46 38.65 1brj s ILE 76 CO 0.33 0.39 0.00 0.59 -1.23 0.00 0.00 174.94 175.02 1brj n ASN 77 N 1.79 -4.58 -4.72 3.58 3.02 -0.22 -4.54 115.26 109.60 1brj n ASN 77 Ca -0.17 0.18 -0.39 0.00 -0.03 0.00 0.00 54.58 54.17 1brj n ASN 77 Cb 0.52 -3.53 -0.05 0.00 -0.61 0.00 0.00 39.78 36.11 1brj n ASN 77 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1brj s TYR 78 N -2.62 3.56 0.05 3.10 5.04 -1.26 -4.93 117.35 120.29 1brj s TYR 78 Ca 0.00 1.17 0.00 0.00 -2.44 0.00 0.00 57.07 55.80 1brj s TYR 78 Cb 0.00 -2.75 0.00 0.00 0.35 0.00 0.00 41.96 39.56 1brj s TYR 78 CO 0.00 0.11 0.00 0.25 -1.34 0.00 0.00 175.55 174.57 1brj n THR 79 N 3.74 0.43 -3.86 4.34 -2.24 -1.26 -4.93 114.28 110.50 1brj n THR 79 Ca -0.03 0.14 -0.09 0.00 -2.27 0.00 0.00 64.05 61.81 1brj n THR 79 Cb 0.51 -1.44 -0.00 0.00 -2.10 0.00 0.00 70.33 67.30 1brj n THR 79 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1brj s SER 80 N -5.35 -0.04 0.00 3.42 1.04 -1.26 -4.74 113.70 106.76 1brj s SER 80 Ca 0.00 -0.94 0.00 0.00 0.48 0.00 0.00 55.95 55.49 1brj s SER 80 Cb 0.00 0.77 0.00 0.00 0.10 0.00 0.00 66.02 66.89 1brj s SER 80 CO 0.00 -1.48 0.00 0.61 0.98 0.00 0.00 173.24 173.35 1brj n GLY 81 N -0.49 -1.32 3.77 7.32 0.00 -1.23 -4.87 105.19 108.35 1brj n GLY 81 Ca -0.05 -1.33 -0.37 0.00 0.00 0.00 0.00 46.02 44.27 1brj n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1brj s PHE 82 N 0.00 2.71 0.47 1.61 0.08 -1.26 -4.43 117.98 117.16 1brj s PHE 82 Ca 0.00 1.52 -0.23 0.00 0.12 0.00 0.00 56.93 58.34 1brj s PHE 82 Cb 0.00 -3.41 -0.08 0.00 -0.57 0.00 0.00 43.02 38.96 1brj s PHE 82 CO 0.00 -1.74 1.21 0.54 -0.10 0.00 0.00 175.22 175.13 1brj n ARG 83 N -0.88 1.65 -0.29 0.44 1.74 -1.26 -5.02 116.66 113.04 1brj n ARG 83 Ca 0.09 0.60 0.00 0.00 -0.77 0.00 0.00 57.85 57.77 1brj n ARG 83 Cb 0.49 -2.35 0.00 0.00 -1.02 0.00 0.00 32.46 29.58 1brj n ARG 83 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1brj n ASN 84 N -0.15 0.00 -1.16 0.55 0.23 -1.26 -5.02 115.26 108.44 1brj n ASN 84 Ca 0.09 -0.82 0.09 0.00 -0.53 0.00 0.00 54.58 53.40 1brj n ASN 84 Cb 0.42 0.00 0.28 0.00 -2.08 0.00 0.00 39.78 38.39 1brj n ASN 84 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1brj n SER 85 N -2.47 3.87 -4.69 0.53 3.41 -1.26 -4.92 113.62 108.09 1brj n SER 85 Ca 0.00 -2.22 -0.37 0.00 -0.26 0.00 0.00 58.87 56.02 1brj n SER 85 Cb 0.00 -0.44 -0.08 0.00 -0.26 0.00 0.00 64.21 63.43 1brj n SER 85 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1brj s ASP 86 N -1.06 6.39 0.02 4.04 1.01 -1.26 -1.78 116.67 124.04 1brj s ASP 86 Ca 0.41 0.46 0.01 0.00 0.71 0.00 0.00 52.55 54.14 1brj s ASP 86 Cb 0.24 -2.19 -0.02 0.00 1.01 0.00 0.00 42.92 41.96 1brj s ASP 86 CO 0.23 0.02 -0.05 -0.13 0.21 0.00 0.00 175.17 175.45 1brj s ARG 87 N 0.90 0.39 -0.20 8.23 1.81 -0.15 -2.21 118.95 127.73 1brj s ARG 87 Ca 0.16 -0.56 -0.09 0.00 -1.72 0.00 0.00 55.73 53.52 1brj s ARG 87 Cb -0.14 -0.15 -0.05 0.00 -0.45 0.00 0.00 34.95 34.16 1brj s ARG 87 CO 0.06 0.02 0.11 0.00 -0.68 0.00 0.00 175.30 174.81 1brj s ALA 88 N -1.10 3.58 -0.18 2.13 0.00 -0.42 -0.84 121.76 124.93 1brj s ALA 88 Ca -0.09 -0.72 -0.01 0.00 0.00 0.00 0.00 51.96 51.13 1brj s ALA 88 Cb -0.08 -2.09 -0.00 0.00 0.00 0.00 0.00 23.12 20.95 1brj s ALA 88 CO -0.00 0.14 -0.11 -0.51 0.00 0.00 0.00 175.76 175.28 1brj s LEU 89 N 0.41 2.61 0.03 0.00 2.01 -0.01 -1.85 118.68 121.88 1brj s LEU 89 Ca 0.06 -0.45 0.04 0.00 0.01 0.00 0.00 54.13 53.79 1brj s LEU 89 Cb -0.12 -1.63 -0.02 0.00 0.01 0.00 0.00 46.19 44.44 1brj s LEU 89 CO -0.01 0.04 -0.12 -0.72 1.01 0.00 0.00 176.35 176.55 1brj s TYR 90 N 1.12 1.04 0.37 0.29 1.13 0.17 -1.00 117.35 120.47 1brj s TYR 90 Ca 0.01 -0.33 0.07 0.00 -1.41 0.00 0.00 57.07 55.41 1brj s TYR 90 Cb -0.14 -0.63 -0.01 0.00 -1.10 0.00 0.00 41.96 40.08 1brj s TYR 90 CO -0.03 0.01 0.43 -1.54 -2.51 0.00 0.00 175.55 171.91 1brj s SER 91 N -0.99 5.59 0.61 -0.18 1.04 -0.85 0.10 113.70 119.02 1brj s SER 91 Ca 0.00 -0.40 0.32 0.00 0.48 0.00 0.00 55.95 56.35 1brj s SER 91 Cb -0.07 -0.94 1.85 0.00 0.10 0.00 0.00 66.02 66.96 1brj s SER 91 CO 0.01 -0.52 2.17 0.77 0.98 0.00 0.00 173.24 176.65 1brj h SER 92 N 0.95 0.00 -0.49 7.02 4.64 -1.29 0.30 113.55 124.68 1brj h SER 92 Ca -0.44 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.85 1brj h SER 92 Cb 1.26 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.33 1brj h SER 92 CO 0.53 0.00 0.03 -0.90 -0.87 0.00 0.00 176.83 175.63 1brj n ASP 93 N -3.58 4.96 -3.11 4.97 5.68 -1.26 -4.97 116.55 119.23 1brj n ASP 93 Ca -0.01 -3.03 -0.23 0.00 -0.50 0.00 0.00 54.79 51.03 1brj n ASP 93 Cb 0.23 -0.65 0.04 0.00 -1.14 0.00 0.00 41.12 39.60 1brj n ASP 93 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1brj n TRP 94 N 0.10 -2.14 -2.98 2.11 7.02 0.10 -5.02 117.44 116.64 1brj n TRP 94 Ca 0.28 0.61 -0.40 0.00 -1.02 0.00 0.00 57.50 56.97 1brj n TRP 94 Cb 1.13 -4.62 -0.05 0.00 -2.42 0.00 0.00 31.31 25.34 1brj n TRP 94 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1brj s LEU 95 N -6.80 4.53 -0.07 -0.99 1.43 -1.26 -4.84 118.68 110.67 1brj s LEU 95 Ca 0.35 1.55 0.05 0.00 -1.03 0.00 0.00 54.13 55.06 1brj s LEU 95 Cb -0.16 -3.27 -0.00 0.00 0.03 0.00 0.00 46.19 42.79 1brj s LEU 95 CO 0.44 0.12 -0.23 -0.63 0.23 0.00 0.00 176.35 176.27 1brj s ILE 96 N -0.62 1.96 0.27 -0.59 -1.09 -0.69 -2.00 121.20 118.44 1brj s ILE 96 Ca 0.37 -0.99 0.08 0.00 -2.23 0.00 0.00 60.65 57.88 1brj s ILE 96 Cb -0.22 -1.68 -0.06 0.00 -1.58 0.00 0.00 42.46 38.93 1brj s ILE 96 CO 0.25 0.54 -0.10 -0.31 -1.23 0.00 0.00 174.94 174.09 1brj s TYR 97 N 0.10 2.00 0.14 3.97 1.51 -0.17 -0.12 117.35 124.78 1brj s TYR 97 Ca -0.11 -0.59 0.06 0.00 -1.01 0.00 0.00 57.07 55.42 1brj s TYR 97 Cb -0.15 -1.06 -0.04 0.00 -0.11 0.00 0.00 41.96 40.60 1brj s TYR 97 CO 0.06 0.40 -0.14 -1.59 -1.11 0.00 0.00 175.55 173.17 1brj s LYS 98 N -3.66 1.08 0.00 -0.62 -2.85 0.12 -0.83 119.74 112.98 1brj s LYS 98 Ca 0.28 -1.32 0.02 0.00 -1.00 0.00 0.00 55.97 53.95 1brj s LYS 98 Cb 0.01 -0.90 -0.01 0.00 -2.06 0.00 0.00 37.83 34.88 1brj s LYS 98 CO 0.12 0.16 -0.06 -0.08 0.10 0.00 0.00 175.35 175.58 1brj s THR 99 N -2.45 0.49 -0.03 3.79 -1.32 -0.02 -1.24 115.64 114.86 1brj s THR 99 Ca 0.12 -0.39 0.05 0.00 -1.21 0.00 0.00 61.69 60.26 1brj s THR 99 Cb -0.03 -0.44 0.08 0.00 -1.51 0.00 0.00 72.50 70.60 1brj s THR 99 CO 0.03 0.06 0.92 0.35 -2.21 0.00 0.00 174.62 173.77 1brj n THR 100 N 2.70 0.81 -2.51 5.08 -2.24 -1.26 -0.98 114.28 115.89 1brj n THR 100 Ca -0.14 -0.91 -0.10 0.00 -2.27 0.00 0.00 64.05 60.63 1brj n THR 100 Cb 0.57 0.42 0.04 0.00 -2.10 0.00 0.00 70.33 69.26 1brj n THR 100 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1brj n ASP 101 N -0.53 2.94 -3.26 3.42 5.68 -1.15 -4.57 116.55 119.09 1brj n ASP 101 Ca 0.04 -2.77 -0.20 0.00 -0.50 0.00 0.00 54.79 51.36 1brj n ASP 101 Cb 0.50 -0.43 0.07 0.00 -1.14 0.00 0.00 41.12 40.13 1brj n ASP 101 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1brj n HIS 102 N -0.61 -2.48 -1.51 2.11 8.25 -0.74 -3.17 115.22 117.08 1brj n HIS 102 Ca 0.22 0.90 -0.12 0.00 -0.26 0.00 0.00 57.72 58.47 1brj n HIS 102 Cb 0.86 -4.65 -0.04 0.00 1.12 0.00 0.00 29.99 27.27 1brj n HIS 102 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1brj n TYR 103 N -4.58 -0.11 0.03 4.41 4.02 -1.26 -4.90 117.16 114.78 1brj n TYR 103 Ca -0.04 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.64 1brj n TYR 103 Cb 0.57 -2.27 -0.14 0.00 -0.02 0.00 0.00 39.34 37.48 1brj n TYR 103 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 176.86 177.81 1brj h GLN 104 N 0.00 0.28 -5.04 -0.72 4.20 -1.96 -3.47 115.11 108.41 1brj h GLN 104 Ca -0.25 -0.49 -0.36 0.00 0.06 0.00 0.00 58.65 57.62 1brj h GLN 104 Cb 0.85 0.18 -0.21 0.00 0.30 0.00 0.00 27.48 28.60 1brj h GLN 104 CO 0.35 1.23 -0.76 0.95 -0.67 0.00 0.00 178.83 179.93 1brj s THR 105 N -2.46 0.90 0.01 -0.54 -4.23 -1.26 -5.12 115.64 102.94 1brj s THR 105 Ca -0.16 -1.26 0.04 0.00 -1.18 0.00 0.00 61.69 59.13 1brj s THR 105 Cb 0.03 -0.94 -0.01 0.00 1.34 0.00 0.00 72.50 72.92 1brj s THR 105 CO 0.81 -0.31 -0.14 -0.36 -0.54 0.00 0.00 174.62 174.08 1brj s PHE 106 N -1.42 1.21 -0.08 3.99 0.08 -1.26 -4.29 117.98 116.22 1brj s PHE 106 Ca -0.04 -0.28 0.04 0.00 0.12 0.00 0.00 56.93 56.77 1brj s PHE 106 Cb -0.09 -0.76 -0.00 0.00 -0.57 0.00 0.00 43.02 41.60 1brj s PHE 106 CO 0.01 0.00 -0.21 0.99 -0.10 0.00 0.00 175.22 175.91 1brj s THR 107 N -0.54 1.82 0.04 0.64 2.01 -0.38 -4.94 115.64 114.30 1brj s THR 107 Ca 0.04 -0.90 -0.30 0.00 0.31 0.00 0.00 61.69 60.83 1brj s THR 107 Cb -0.06 -1.57 -0.06 0.00 0.01 0.00 0.00 72.50 70.81 1brj s THR 107 CO 0.00 0.51 1.35 -0.75 -0.69 0.00 0.00 174.62 175.04 1brj s LYS 108 N 0.25 4.32 -0.00 4.92 2.20 -1.26 0.16 119.74 130.33 1brj s LYS 108 Ca -0.13 1.94 0.01 0.00 -0.36 0.00 0.00 55.97 57.43 1brj s LYS 108 Cb -0.16 -3.45 -0.01 0.00 -1.51 0.00 0.00 37.83 32.70 1brj s LYS 108 CO 0.06 -0.48 0.04 0.44 -0.36 0.00 0.00 175.35 175.05 1brj n ILE 109 N 4.35 0.00 -1.43 5.43 -5.35 0.83 -4.91 119.36 118.28 1brj n ILE 109 Ca 0.12 -0.38 0.00 0.00 -0.27 0.00 0.00 62.75 62.22 1brj n ILE 109 Cb 0.44 0.89 0.00 0.00 -1.74 0.00 0.00 39.64 39.23 1brj n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33