#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1brh s ILE 4 N 0.00 2.97 0.00 0.00 1.01 -1.26 -4.95 121.20 118.97 1brh s ILE 4 Ca 0.00 -1.05 0.08 0.00 0.00 0.00 0.00 60.65 59.68 1brh s ILE 4 Cb 0.00 -2.54 0.14 0.00 0.01 0.00 0.00 42.46 40.06 1brh s ILE 4 CO 0.00 0.15 0.96 -0.46 0.00 0.00 0.00 174.94 175.59 1brh n ASN 5 N 4.68 0.11 -4.91 3.58 6.94 -1.26 -4.81 115.26 119.58 1brh n ASN 5 Ca -0.16 -1.81 -0.21 0.00 -0.02 0.00 0.00 54.58 52.38 1brh n ASN 5 Cb 0.47 -0.09 -0.03 0.00 -2.36 0.00 0.00 39.78 37.77 1brh n ASN 5 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1brh s THR 6 N 0.00 4.45 0.11 5.53 -4.23 -1.26 -0.39 115.64 119.85 1brh s THR 6 Ca 0.11 -1.19 -0.21 0.00 -1.18 0.00 0.00 61.69 59.22 1brh s THR 6 Cb 0.12 -3.51 -0.09 0.00 1.34 0.00 0.00 72.50 70.37 1brh s THR 6 CO -0.05 -0.27 1.73 -0.26 -0.54 0.00 0.00 174.62 175.23 1brh h PHE 7 N 1.22 -0.00 -0.40 3.99 0.04 -1.99 -1.52 116.94 118.28 1brh h PHE 7 Ca -0.48 0.01 -0.05 0.00 2.80 0.00 0.00 57.97 60.24 1brh h PHE 7 Cb 1.24 0.02 -0.02 0.00 2.20 0.00 0.00 35.95 39.40 1brh h PHE 7 CO 0.49 -0.01 0.05 -0.44 -0.60 0.00 0.00 178.31 177.80 1brh h ASP 8 N 0.04 0.65 -0.51 2.17 3.32 -1.99 -2.11 116.42 118.00 1brh h ASP 8 Ca 0.05 -0.27 0.03 0.00 0.02 0.00 0.00 57.03 56.86 1brh h ASP 8 Cb 0.06 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.40 1brh h ASP 8 CO -0.09 0.76 0.30 1.23 -1.72 0.00 0.00 179.24 179.72 1brh h GLY 9 N 0.52 0.72 1.34 2.75 0.00 -1.95 0.53 103.07 106.98 1brh h GLY 9 Ca 0.12 -0.22 -0.23 0.00 0.00 0.00 0.00 47.33 47.00 1brh h GLY 9 CO 0.01 0.18 -0.87 -2.08 0.00 0.00 0.00 176.54 173.78 1brh h VAL 10 N 0.59 1.32 -0.20 4.60 2.07 -1.29 -2.28 116.25 121.07 1brh h VAL 10 Ca 0.21 -2.16 -0.01 0.00 0.82 0.00 0.00 66.70 65.56 1brh h VAL 10 Cb 0.04 2.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.99 1brh h VAL 10 CO -0.10 0.67 0.09 0.00 0.02 0.00 0.00 177.57 178.24 1brh h ALA 11 N 0.63 0.25 -0.68 1.67 0.00 -1.13 -0.69 119.26 119.31 1brh h ALA 11 Ca -0.07 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 1brh h ALA 11 Cb 1.49 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.18 1brh h ALA 11 CO 0.16 -0.18 0.11 -0.44 0.00 0.00 0.00 179.25 178.91 1brh h ASP 12 N 0.18 1.07 0.06 0.00 3.32 -0.96 -2.42 116.42 117.67 1brh h ASP 12 Ca 0.07 -0.26 -0.00 0.00 0.02 0.00 0.00 57.03 56.86 1brh h ASP 12 Cb 0.14 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.40 1brh h ASP 12 CO -0.01 1.06 -0.03 0.22 -1.72 0.00 0.00 179.24 178.76 1brh h TYR 13 N 1.05 -0.07 -0.59 4.55 5.03 -1.28 -2.37 116.97 123.29 1brh h TYR 13 Ca 0.21 -0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.51 1brh h TYR 13 Cb 0.44 0.02 -0.03 0.00 1.55 0.00 0.00 36.73 38.72 1brh h TYR 13 CO 0.03 0.01 0.34 0.00 -1.32 0.00 0.00 178.16 177.22 1brh h ALA 14 N 0.81 0.75 0.00 1.82 0.00 -1.09 0.25 119.26 121.80 1brh h ALA 14 Ca -0.01 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1brh h ALA 14 Cb 0.11 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1brh h ALA 14 CO 0.01 0.25 -0.25 1.96 0.00 0.00 0.00 179.25 181.23 1brh h GLN 15 N 0.79 0.00 0.06 0.00 4.20 -1.41 0.19 115.11 118.94 1brh h GLN 15 Ca 0.21 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.68 1brh h GLN 15 Cb 0.01 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 1brh h GLN 15 CO -0.04 0.25 -1.28 1.15 -0.67 0.00 0.00 178.83 178.24 1brh h THR 16 N 0.00 1.01 -0.01 -0.54 2.02 -1.08 -3.40 112.91 110.91 1brh h THR 16 Ca -0.00 -2.29 0.00 0.00 0.77 0.00 0.00 66.41 64.89 1brh h THR 16 Cb 0.65 2.55 0.00 0.00 -1.74 0.00 0.00 68.15 69.61 1brh h THR 16 CO 0.03 0.55 -0.31 -1.22 0.37 0.00 0.00 175.52 174.94 1brh n TYR 17 N -4.16 0.00 -2.59 3.16 4.01 0.84 -5.02 117.16 113.40 1brh n TYR 17 Ca -0.27 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.29 1brh n TYR 17 Cb 0.78 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.82 1brh n TYR 17 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1brh n HIS 18 N 0.08 -1.19 -3.72 -0.72 8.25 0.66 -4.97 115.22 113.61 1brh n HIS 18 Ca 0.08 0.21 -0.06 0.00 -0.26 0.00 0.00 57.72 57.69 1brh n HIS 18 Cb 0.39 -3.60 -0.02 0.00 1.12 0.00 0.00 29.99 27.88 1brh n HIS 18 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1brh s LYS 19 N -5.15 1.31 0.47 -0.41 -2.85 -1.25 -5.06 119.74 106.79 1brh s LYS 19 Ca 0.12 -0.68 -0.07 0.00 -1.00 0.00 0.00 55.97 54.34 1brh s LYS 19 Cb -0.05 0.47 -0.05 0.00 -2.06 0.00 0.00 37.83 36.14 1brh s LYS 19 CO 0.15 -0.60 0.80 -0.51 0.10 0.00 0.00 175.35 175.30 1brh s LEU 20 N -2.86 3.66 0.94 2.77 1.43 -1.26 -3.97 118.68 119.39 1brh s LEU 20 Ca 0.10 1.03 -0.10 0.00 -1.03 0.00 0.00 54.13 54.12 1brh s LEU 20 Cb -0.03 -3.97 0.16 0.00 0.03 0.00 0.00 46.19 42.39 1brh s LEU 20 CO 0.01 -0.55 1.12 -2.84 0.23 0.00 0.00 176.35 174.33 1brh s PRO 21 N -4.50 0.81 0.53 1.29 0.02 -1.26 -4.91 135.00 126.97 1brh s PRO 21 Ca 0.49 1.41 0.22 0.00 0.02 0.00 0.00 61.00 63.15 1brh s PRO 21 Cb -0.10 -1.71 1.37 0.00 0.02 0.00 0.00 34.50 34.08 1brh s PRO 21 CO 0.41 -2.73 2.06 -0.44 -0.33 0.00 0.00 177.00 175.97 1brh h ASP 22 N -1.94 0.00 0.00 2.53 3.32 -1.96 -2.86 116.42 115.51 1brh h ASP 22 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 1brh h ASP 22 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.83 1brh h ASP 22 CO 0.44 0.00 0.00 -0.46 -1.72 0.00 0.00 179.24 177.50 1brh n ASN 23 N -4.39 0.00 -4.84 6.45 6.94 -1.26 -4.84 115.26 113.32 1brh n ASN 23 Ca 0.05 -1.40 -0.36 0.00 -0.02 0.00 0.00 54.58 52.85 1brh n ASN 23 Cb 0.41 0.00 -0.06 0.00 -2.36 0.00 0.00 39.78 37.76 1brh n ASN 23 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1brh s TYR 24 N -2.00 3.49 0.06 -2.53 2.02 -1.08 -1.06 117.35 116.24 1brh s TYR 24 Ca 0.08 0.41 0.03 0.00 -0.37 0.00 0.00 57.07 57.22 1brh s TYR 24 Cb 0.04 -1.88 -0.03 0.00 -0.40 0.00 0.00 41.96 39.69 1brh s TYR 24 CO 0.06 0.66 -0.09 0.96 -1.57 0.00 0.00 175.55 175.58 1brh s ILE 25 N -1.08 0.66 0.91 2.71 -4.36 -0.19 -4.86 121.20 114.99 1brh s ILE 25 Ca 0.18 -1.28 -0.14 0.00 -0.26 0.00 0.00 60.65 59.15 1brh s ILE 25 Cb -0.12 -0.88 0.15 0.00 1.25 0.00 0.00 42.46 42.86 1brh s ILE 25 CO 0.07 -0.45 1.23 0.42 0.24 0.00 0.00 174.94 176.45 1brh s THR 26 N -1.78 1.98 0.41 8.37 -4.23 -1.19 -1.28 115.64 117.91 1brh s THR 26 Ca -0.05 0.00 0.09 0.00 -1.18 0.00 0.00 61.69 60.55 1brh s THR 26 Cb -0.07 -2.94 0.22 0.00 1.34 0.00 0.00 72.50 71.05 1brh s THR 26 CO -0.00 0.00 2.00 0.11 -0.54 0.00 0.00 174.62 176.19 1brh h LYS 27 N -1.45 0.38 -0.32 3.99 1.57 -1.97 -1.55 116.57 117.21 1brh h LYS 27 Ca -0.46 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.23 1brh h LYS 27 Cb 1.29 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.51 1brh h LYS 27 CO 0.52 0.34 0.02 0.77 -0.57 0.00 0.00 179.45 180.53 1brh h SER 28 N 0.38 0.54 -0.09 0.86 0.02 -1.99 -0.13 113.55 113.13 1brh h SER 28 Ca 0.09 -0.29 -0.17 0.00 -0.84 0.00 0.00 61.79 60.59 1brh h SER 28 Cb 0.13 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.52 1brh h SER 28 CO -0.01 0.70 -0.53 1.05 -1.14 0.00 0.00 176.83 176.90 1brh h GLU 29 N 0.37 0.67 -0.02 3.45 4.11 -1.85 -2.16 114.58 119.16 1brh h GLU 29 Ca 0.09 -0.42 0.02 0.00 0.07 0.00 0.00 59.36 59.13 1brh h GLU 29 Cb 0.41 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.68 1brh h GLU 29 CO 0.01 1.04 -0.11 0.00 0.07 0.00 0.00 179.01 180.02 1brh h ALA 30 N 0.88 -0.11 -0.51 1.06 0.00 -1.07 -1.58 119.26 117.94 1brh h ALA 30 Ca 0.01 0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.01 1brh h ALA 30 Cb 1.10 0.20 -0.06 0.00 0.00 0.00 0.00 17.79 19.03 1brh h ALA 30 CO 0.11 -0.60 0.17 1.96 0.00 0.00 0.00 179.25 180.89 1brh h GLN 31 N -0.18 0.33 0.00 0.00 4.20 -1.01 -0.44 115.11 118.01 1brh h GLN 31 Ca 0.05 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 1brh h GLN 31 Cb 0.24 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 27.94 1brh h GLN 31 CO -0.12 0.22 -0.06 0.00 -0.67 0.00 0.00 178.83 178.20 1brh h ALA 32 N 1.35 1.67 -0.00 3.87 0.00 -0.88 -2.38 119.26 122.88 1brh h ALA 32 Ca 0.25 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1brh h ALA 32 Cb 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1brh h ALA 32 CO -0.26 0.08 -0.37 1.28 0.00 0.00 0.00 179.25 179.97 1brh n LEU 33 N -4.13 0.71 0.00 0.00 4.77 -0.64 -4.94 117.00 112.77 1brh n LEU 33 Ca -0.03 -0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 1brh n LEU 33 Cb 0.14 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 1brh n LEU 33 CO 0.32 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 1brh n GLY 34 N 1.42 1.28 3.69 -0.72 0.00 -0.89 -4.94 105.19 105.03 1brh n GLY 34 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1brh n GLY 34 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1brh s TRP 35 N -2.00 2.79 -0.28 1.61 -0.00 -0.26 -4.92 118.94 115.88 1brh s TRP 35 Ca 0.00 0.69 0.03 0.00 -0.00 0.00 0.00 56.10 56.82 1brh s TRP 35 Cb 0.00 -3.76 0.08 0.00 -0.00 0.00 0.00 33.47 29.79 1brh s TRP 35 CO 0.00 -2.87 -0.03 0.08 -0.00 0.00 0.00 176.95 174.13 1brh s VAL 36 N 2.23 1.97 0.19 5.86 1.01 -1.26 -4.37 120.40 126.03 1brh s VAL 36 Ca 0.67 -1.75 -0.19 0.00 0.00 0.00 0.00 61.98 60.71 1brh s VAL 36 Cb -0.35 -2.26 0.14 0.00 0.00 0.00 0.00 36.38 33.91 1brh s VAL 36 CO 0.29 -0.27 1.60 0.00 0.00 0.00 0.00 175.10 176.72 1brh h ALA 37 N 7.78 0.06 0.00 5.51 0.00 -2.00 -0.77 119.26 129.86 1brh h ALA 37 Ca -0.14 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1brh h ALA 37 Cb 1.04 0.66 0.00 0.00 0.00 0.00 0.00 17.79 19.49 1brh h ALA 37 CO 0.47 -0.61 0.00 0.77 0.00 0.00 0.00 179.25 179.88 1brh h SER 38 N -0.14 0.00 0.48 0.00 0.02 -2.03 -2.34 113.55 109.53 1brh h SER 38 Ca 0.24 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 1brh h SER 38 Cb 0.52 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.06 1brh h SER 38 CO -0.63 0.00 -0.93 0.29 -1.14 0.00 0.00 176.83 174.43 1brh n LYS 39 N -2.65 0.25 -3.00 3.45 5.02 -0.31 -4.99 118.16 115.93 1brh n LYS 39 Ca -0.01 0.01 -0.22 0.00 -2.02 0.00 0.00 58.31 56.07 1brh n LYS 39 Cb 0.12 -1.59 0.04 0.00 -0.02 0.00 0.00 35.03 33.57 1brh n LYS 39 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1brh n GLY 40 N 1.38 -0.47 1.34 0.72 0.00 -0.88 -4.93 105.19 102.34 1brh n GLY 40 Ca 0.02 0.10 0.08 0.00 0.00 0.00 0.00 46.02 46.22 1brh n GLY 40 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1brh n ASN 41 N -2.36 4.56 -0.28 1.61 6.94 -1.25 -3.89 115.26 120.59 1brh n ASN 41 Ca -0.11 -2.73 0.04 0.00 -0.02 0.00 0.00 54.58 51.75 1brh n ASN 41 Cb 0.62 -0.56 0.18 0.00 -2.36 0.00 0.00 39.78 37.65 1brh n ASN 41 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1brh h LEU 42 N 3.07 0.54 0.00 -4.53 5.85 -1.87 0.36 115.31 118.73 1brh h LEU 42 Ca 0.00 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1brh h LEU 42 Cb 1.53 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.53 1brh h LEU 42 CO 0.28 0.28 0.00 0.00 -0.34 0.00 0.00 178.44 178.66 1brh n ALA 43 N -2.41 2.39 0.01 1.25 0.00 -1.26 -0.50 120.51 119.98 1brh n ALA 43 Ca 0.14 -0.15 -0.22 0.00 0.00 0.00 0.00 53.44 53.21 1brh n ALA 43 Cb 0.33 -1.41 -0.14 0.00 0.00 0.00 0.00 19.45 18.24 1brh n ALA 43 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1brh h ASP 44 N 0.00 0.39 0.67 0.00 3.32 -0.64 -3.23 116.42 116.93 1brh h ASP 44 Ca 0.00 -0.86 0.00 0.00 0.02 0.00 0.00 57.03 56.19 1brh h ASP 44 Cb 0.06 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.48 1brh h ASP 44 CO 0.00 1.70 -0.99 1.33 -1.72 0.00 0.00 179.24 179.56 1brh n VAL 45 N -3.81 0.34 -2.93 -1.35 0.24 -0.80 -4.58 118.33 105.44 1brh n VAL 45 Ca -0.28 -0.36 -0.14 0.00 -2.04 0.00 0.00 64.34 61.53 1brh n VAL 45 Cb 0.94 -0.05 0.02 0.00 -1.47 0.00 0.00 33.84 33.29 1brh n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1brh n ALA 46 N -1.96 0.37 -1.56 2.33 0.00 0.34 -4.96 120.51 115.07 1brh n ALA 46 Ca 0.01 -2.30 -0.45 0.00 0.00 0.00 0.00 53.44 50.71 1brh n ALA 46 Cb 0.48 -1.08 -0.01 0.00 0.00 0.00 0.00 19.45 18.84 1brh n ALA 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1brh n PRO 47 N 0.75 1.16 0.00 0.00 -0.04 -1.22 -1.93 135.00 133.72 1brh n PRO 47 Ca 0.14 0.41 0.00 0.00 -0.04 0.00 0.00 63.50 64.01 1brh n PRO 47 Cb 0.65 -1.74 0.00 0.00 -0.04 0.00 0.00 33.50 32.37 1brh n PRO 47 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1brh n GLY 48 N 1.33 3.10 3.90 0.55 0.00 -1.26 -5.04 105.19 107.77 1brh n GLY 48 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 1brh n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1brh s LYS 49 N -0.20 3.65 0.06 1.61 3.01 -0.81 -4.89 119.74 122.17 1brh s LYS 49 Ca 0.00 0.15 0.02 0.00 -1.01 0.00 0.00 55.97 55.13 1brh s LYS 49 Cb 0.00 -2.53 -0.03 0.00 -1.01 0.00 0.00 37.83 34.26 1brh s LYS 49 CO 0.00 0.07 -0.07 -1.12 0.51 0.00 0.00 175.35 174.74 1brh s SER 50 N -3.36 0.93 0.04 2.83 0.01 -0.22 -4.87 113.70 109.06 1brh s SER 50 Ca 0.46 -0.70 -0.30 0.00 1.31 0.00 0.00 55.95 56.72 1brh s SER 50 Cb -0.10 0.06 -0.05 0.00 0.21 0.00 0.00 66.02 66.13 1brh s SER 50 CO 0.33 -0.29 1.14 -0.63 0.41 0.00 0.00 173.24 174.20 1brh s ILE 51 N -2.11 4.26 -0.18 1.44 -1.09 -1.26 -1.02 121.20 121.23 1brh s ILE 51 Ca -0.03 1.62 -0.30 0.00 -2.23 0.00 0.00 60.65 59.71 1brh s ILE 51 Cb -0.05 -4.04 0.14 0.00 -1.58 0.00 0.00 42.46 36.93 1brh s ILE 51 CO -0.01 0.12 1.10 -0.83 -1.23 0.00 0.00 174.94 174.09 1brh s GLY 52 N 1.05 -0.21 0.00 6.18 0.00 -0.41 -1.19 107.32 112.75 1brh s GLY 52 Ca 0.57 2.07 0.00 0.00 0.00 0.00 0.00 44.72 47.36 1brh s GLY 52 CO 0.29 0.92 0.00 0.61 0.00 0.00 0.00 173.10 174.92 1brh n GLY 53 N 0.48 0.48 3.84 0.20 0.00 -0.09 -3.18 105.19 106.93 1brh n GLY 53 Ca -0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 1brh n GLY 53 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1brh s ASP 54 N -2.01 6.72 0.32 1.61 1.01 -1.24 -4.78 116.67 118.30 1brh s ASP 54 Ca 0.00 1.54 -0.29 0.00 0.71 0.00 0.00 52.55 54.51 1brh s ASP 54 Cb 0.00 -2.49 -0.10 0.00 1.01 0.00 0.00 42.92 41.34 1brh s ASP 54 CO 0.00 -0.47 1.39 -0.63 0.21 0.00 0.00 175.17 175.66 1brh s ILE 55 N -2.42 2.54 -0.21 0.77 -1.09 -1.26 -1.57 121.20 117.96 1brh s ILE 55 Ca 0.59 0.51 -0.02 0.00 -2.23 0.00 0.00 60.65 59.50 1brh s ILE 55 Cb -0.10 -3.33 -0.00 0.00 -1.58 0.00 0.00 42.46 37.46 1brh s ILE 55 CO 0.25 0.11 -0.09 0.12 -1.23 0.00 0.00 174.94 174.10 1brh s PHE 56 N -0.82 2.90 0.25 3.97 5.36 -0.01 -4.83 117.98 124.80 1brh s PHE 56 Ca 0.53 -1.14 0.16 0.00 -0.96 0.00 0.00 56.93 55.52 1brh s PHE 56 Cb -0.42 -2.05 0.63 0.00 -0.34 0.00 0.00 43.02 40.84 1brh s PHE 56 CO 0.53 -0.62 1.73 0.66 -1.46 0.00 0.00 175.22 176.06 1brh h SER 57 N 8.04 0.00 -4.52 6.13 4.64 -1.95 -3.38 113.55 122.50 1brh h SER 57 Ca -0.43 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.57 1brh h SER 57 Cb 1.16 0.00 0.09 0.00 -0.31 0.00 0.00 62.40 63.34 1brh h SER 57 CO 0.61 0.44 -0.53 -3.20 -0.87 0.00 0.00 176.83 173.28 1brh n ASN 58 N -3.71 -5.48 0.23 4.97 5.15 -1.26 -4.89 115.26 110.26 1brh n ASN 58 Ca -0.01 -0.37 0.07 0.00 -0.60 0.00 0.00 54.58 53.68 1brh n ASN 58 Cb 0.51 -4.17 0.56 0.00 -0.53 0.00 0.00 39.78 36.15 1brh n ASN 58 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1brh h ARG 59 N -1.84 0.00 -0.00 1.20 3.08 -2.00 -1.94 114.38 112.87 1brh h ARG 59 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.60 1brh h ARG 59 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.35 1brh h ARG 59 CO 0.46 0.19 -0.21 0.39 -1.07 0.00 0.00 179.97 179.72 1brh n GLU 60 N -4.06 0.22 -2.08 0.04 1.02 -1.26 -4.94 120.64 109.59 1brh n GLU 60 Ca -0.02 -0.08 -0.17 0.00 -0.02 0.00 0.00 57.16 56.87 1brh n GLU 60 Cb 0.27 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.16 1brh n GLU 60 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1brh n GLY 61 N 1.43 0.25 0.20 0.62 0.00 -0.73 -4.94 105.19 102.02 1brh n GLY 61 Ca 0.09 -0.20 0.08 0.00 0.00 0.00 0.00 46.02 45.99 1brh n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1brh h LYS 62 N 0.00 0.00 -6.06 1.61 1.57 -1.92 -3.44 116.57 108.32 1brh h LYS 62 Ca -0.38 0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 57.75 1brh h LYS 62 Cb 1.23 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 33.45 1brh h LYS 62 CO 0.48 0.28 -0.58 -0.51 -0.57 0.00 0.00 179.45 178.54 1brh s LEU 63 N -6.68 3.87 0.20 2.94 1.43 -1.26 -4.94 118.68 114.24 1brh s LEU 63 Ca 0.02 0.09 -0.33 0.00 -1.03 0.00 0.00 54.13 52.89 1brh s LEU 63 Cb 0.09 -2.37 -0.13 0.00 0.03 0.00 0.00 46.19 43.82 1brh s LEU 63 CO 0.67 0.23 1.67 -0.81 0.23 0.00 0.00 176.35 178.34 1brh n PRO 64 N 0.91 2.56 -3.27 1.29 -0.04 -1.26 -5.01 135.00 130.18 1brh n PRO 64 Ca -0.11 0.92 -0.19 0.00 -0.04 0.00 0.00 63.50 64.08 1brh n PRO 64 Cb 0.52 -2.74 0.00 0.00 -0.04 0.00 0.00 33.50 31.25 1brh n PRO 64 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1brh s GLY 65 N 1.04 1.66 -0.28 0.55 0.00 -1.26 -5.09 107.32 103.94 1brh s GLY 65 Ca 0.76 -1.42 -0.26 0.00 0.00 0.00 0.00 44.72 43.79 1brh s GLY 65 CO 0.35 -1.30 1.30 1.25 0.00 0.00 0.00 173.10 174.70 1brh s LYS 66 N -4.30 0.20 -0.19 2.90 2.20 -1.26 -5.05 119.74 114.24 1brh s LYS 66 Ca 0.48 0.16 -0.39 0.00 -0.36 0.00 0.00 55.97 55.86 1brh s LYS 66 Cb -0.10 0.09 -0.15 0.00 -1.51 0.00 0.00 37.83 36.16 1brh s LYS 66 CO 0.33 -0.04 1.68 0.43 -0.36 0.00 0.00 175.35 177.40 1brh n SER 67 N 1.36 2.37 -0.04 1.43 7.64 -1.26 -0.41 113.62 124.71 1brh n SER 67 Ca -0.08 1.07 -0.01 0.00 1.01 0.00 0.00 58.87 60.86 1brh n SER 67 Cb 0.57 -1.18 -0.00 0.00 -1.01 0.00 0.00 64.21 62.59 1brh n SER 67 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1brh n GLY 68 N 3.91 0.36 3.68 0.23 0.00 -1.26 -5.01 105.19 107.11 1brh n GLY 68 Ca 0.25 -0.05 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 1brh n GLY 68 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1brh s ARG 69 N -0.87 4.30 0.00 1.61 3.52 0.45 -4.94 118.95 123.02 1brh s ARG 69 Ca 0.00 0.71 0.02 0.00 -0.13 0.00 0.00 55.73 56.33 1brh s ARG 69 Cb 0.00 -3.52 -0.04 0.00 -1.56 0.00 0.00 34.95 29.83 1brh s ARG 69 CO 0.00 -0.12 -0.03 0.99 -0.81 0.00 0.00 175.30 175.34 1brh s THR 70 N 1.48 3.95 -0.00 4.11 2.01 -1.26 -4.76 115.64 121.17 1brh s THR 70 Ca 0.32 -0.69 0.05 0.00 0.31 0.00 0.00 61.69 61.68 1brh s THR 70 Cb -0.16 -2.75 -0.03 0.00 0.01 0.00 0.00 72.50 69.57 1brh s THR 70 CO 0.13 0.37 -0.16 0.26 -0.69 0.00 0.00 174.62 174.53 1brh s TRP 71 N -1.06 2.63 0.12 4.92 0.52 -1.26 -0.57 118.94 124.25 1brh s TRP 71 Ca 0.19 -0.21 0.03 0.00 0.02 0.00 0.00 56.10 56.13 1brh s TRP 71 Cb -0.11 -1.54 -0.04 0.00 -1.15 0.00 0.00 33.47 30.62 1brh s TRP 71 CO 0.09 0.22 -0.07 1.03 0.02 0.00 0.00 176.95 178.24 1brh s ARG 72 N -1.12 0.94 0.18 4.98 0.52 -0.56 -0.83 118.95 123.06 1brh s ARG 72 Ca 0.13 -1.39 0.06 0.00 -0.52 0.00 0.00 55.73 54.01 1brh s ARG 72 Cb -0.11 -0.36 -0.05 0.00 0.52 0.00 0.00 34.95 34.96 1brh s ARG 72 CO 0.03 0.00 -0.11 -1.83 0.02 0.00 0.00 175.30 173.42 1brh s GLU 73 N -3.81 1.19 -0.09 3.54 -1.05 -0.61 -0.62 118.70 117.26 1brh s GLU 73 Ca 0.15 -1.53 -0.11 0.00 -0.15 0.00 0.00 54.97 53.33 1brh s GLU 73 Cb 0.04 -0.83 0.03 0.00 -0.44 0.00 0.00 34.13 32.93 1brh s GLU 73 CO -0.02 0.11 0.29 0.00 0.95 0.00 0.00 175.26 176.59 1brh s ALA 74 N -3.19 -0.72 0.25 -0.84 0.00 -0.29 -0.91 121.76 116.06 1brh s ALA 74 Ca 0.20 0.69 -0.30 0.00 0.00 0.00 0.00 51.96 52.55 1brh s ALA 74 Cb 0.01 -0.35 -0.09 0.00 0.00 0.00 0.00 23.12 22.70 1brh s ALA 74 CO 0.04 -0.17 1.06 -0.51 0.00 0.00 0.00 175.76 176.18 1brh s ASP 75 N -0.22 7.36 0.05 0.00 1.11 -0.34 -0.49 116.67 124.14 1brh s ASP 75 Ca -0.03 2.15 0.09 0.00 0.18 0.00 0.00 52.55 54.94 1brh s ASP 75 Cb -0.03 -2.62 -0.03 0.00 1.07 0.00 0.00 42.92 41.31 1brh s ASP 75 CO 0.01 -0.09 -0.26 -0.63 1.18 0.00 0.00 175.17 175.38 1brh s ILE 76 N -0.94 2.13 -1.37 0.77 -1.09 -0.94 -4.70 121.20 115.06 1brh s ILE 76 Ca 0.45 -1.39 0.00 0.00 -2.23 0.00 0.00 60.65 57.48 1brh s ILE 76 Cb -0.30 -1.82 0.00 0.00 -1.58 0.00 0.00 42.46 38.76 1brh s ILE 76 CO 0.37 0.36 0.00 0.59 -1.23 0.00 0.00 174.94 175.04 1brh n ASN 77 N 1.78 -4.67 -4.75 3.58 3.02 0.48 -4.56 115.26 110.14 1brh n ASN 77 Ca -0.17 0.32 -0.40 0.00 -0.03 0.00 0.00 54.58 54.30 1brh n ASN 77 Cb 0.52 -3.30 -0.05 0.00 -0.61 0.00 0.00 39.78 36.34 1brh n ASN 77 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1brh s TYR 78 N -2.44 3.82 0.03 3.10 5.04 -1.26 -4.94 117.35 120.70 1brh s TYR 78 Ca 0.00 1.64 0.00 0.00 -2.44 0.00 0.00 57.07 56.27 1brh s TYR 78 Cb 0.00 -2.89 0.00 0.00 0.35 0.00 0.00 41.96 39.42 1brh s TYR 78 CO 0.00 0.33 0.00 0.25 -1.34 0.00 0.00 175.55 174.79 1brh n THR 79 N 2.38 0.13 -3.62 4.34 -2.24 -1.26 -4.98 114.28 109.04 1brh n THR 79 Ca -0.02 0.04 -0.08 0.00 -2.27 0.00 0.00 64.05 61.72 1brh n THR 79 Cb 0.49 -1.12 -0.02 0.00 -2.10 0.00 0.00 70.33 67.58 1brh n THR 79 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1brh s SER 80 N -5.10 -0.36 0.00 3.42 1.04 -1.26 -4.78 113.70 106.65 1brh s SER 80 Ca 0.00 -0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.20 1brh s SER 80 Cb 0.00 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.68 1brh s SER 80 CO 0.00 -0.97 0.00 0.61 0.98 0.00 0.00 173.24 173.86 1brh n GLY 81 N -0.39 -1.19 3.74 7.32 0.00 -1.25 -4.90 105.19 108.52 1brh n GLY 81 Ca -0.10 -1.49 -0.34 0.00 0.00 0.00 0.00 46.02 44.09 1brh n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1brh s PHE 82 N 0.00 2.21 0.52 1.61 0.08 -1.25 -4.54 117.98 116.61 1brh s PHE 82 Ca 0.00 1.57 -0.22 0.00 0.12 0.00 0.00 56.93 58.40 1brh s PHE 82 Cb 0.00 -3.43 -0.05 0.00 -0.57 0.00 0.00 43.02 38.97 1brh s PHE 82 CO 0.00 -2.39 1.31 1.03 -0.10 0.00 0.00 175.22 175.07 1brh s ARG 83 N -3.83 3.29 0.00 0.44 0.52 -1.26 -5.03 118.95 113.09 1brh s ARG 83 Ca 0.74 2.13 0.00 0.00 -0.52 0.00 0.00 55.73 58.08 1brh s ARG 83 Cb -0.28 -2.30 0.00 0.00 0.52 0.00 0.00 34.95 32.89 1brh s ARG 83 CO 0.42 -1.03 0.00 0.27 0.02 0.00 0.00 175.30 174.98 1brh n ASN 84 N -0.89 0.00 -1.05 0.23 0.23 -1.26 -5.03 115.26 107.49 1brh n ASN 84 Ca 0.10 -0.62 0.10 0.00 -0.53 0.00 0.00 54.58 53.62 1brh n ASN 84 Cb 0.46 0.00 0.22 0.00 -2.08 0.00 0.00 39.78 38.37 1brh n ASN 84 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1brh n SER 85 N -1.87 3.37 -4.74 0.53 3.41 -1.26 -4.94 113.62 108.12 1brh n SER 85 Ca 0.00 -1.95 -0.37 0.00 -0.26 0.00 0.00 58.87 56.29 1brh n SER 85 Cb 0.00 -0.29 -0.07 0.00 -0.26 0.00 0.00 64.21 63.60 1brh n SER 85 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1brh s ASP 86 N -1.23 6.52 0.00 4.04 1.01 -1.26 -2.31 116.67 123.44 1brh s ASP 86 Ca 0.36 0.61 -0.10 0.00 0.71 0.00 0.00 52.55 54.12 1brh s ASP 86 Cb 0.20 -2.21 0.01 0.00 1.01 0.00 0.00 42.92 41.94 1brh s ASP 86 CO 0.28 0.10 0.21 -0.13 0.21 0.00 0.00 175.17 175.84 1brh s ARG 87 N 0.34 0.59 -0.07 8.23 1.81 -0.12 -2.22 118.95 127.50 1brh s ARG 87 Ca 0.19 -0.36 0.01 0.00 -1.72 0.00 0.00 55.73 53.85 1brh s ARG 87 Cb -0.14 0.25 -0.03 0.00 -0.45 0.00 0.00 34.95 34.58 1brh s ARG 87 CO 0.06 -0.15 -0.07 -1.50 -0.68 0.00 0.00 175.30 172.96 1brh s ILE 88 N -1.53 3.71 -0.17 1.52 2.07 0.36 -1.42 121.20 125.74 1brh s ILE 88 Ca -0.13 -0.47 -0.01 0.00 -1.41 0.00 0.00 60.65 58.62 1brh s ILE 88 Cb -0.06 -2.52 -0.01 0.00 0.13 0.00 0.00 42.46 40.00 1brh s ILE 88 CO 0.02 0.59 -0.11 -0.76 -1.91 0.00 0.00 174.94 172.77 1brh s LEU 89 N -0.75 2.68 -0.03 8.50 2.01 -0.12 -1.13 118.68 129.84 1brh s LEU 89 Ca 0.11 -0.41 0.02 0.00 0.01 0.00 0.00 54.13 53.87 1brh s LEU 89 Cb -0.11 -1.64 0.01 0.00 0.01 0.00 0.00 46.19 44.46 1brh s LEU 89 CO 0.02 0.07 -0.08 -0.72 1.01 0.00 0.00 176.35 176.64 1brh s TYR 90 N 0.92 0.90 0.54 0.29 1.13 0.21 -1.18 117.35 120.16 1brh s TYR 90 Ca -0.02 -0.23 -0.02 0.00 -1.41 0.00 0.00 57.07 55.39 1brh s TYR 90 Cb -0.15 -0.66 0.02 0.00 -1.10 0.00 0.00 41.96 40.07 1brh s TYR 90 CO -0.01 -0.11 0.80 -1.54 -2.51 0.00 0.00 175.55 172.18 1brh s SER 91 N 0.29 5.52 0.64 -0.18 1.04 -0.70 -1.49 113.70 118.81 1brh s SER 91 Ca -0.04 0.36 0.38 0.00 0.48 0.00 0.00 55.95 57.12 1brh s SER 91 Cb -0.09 -1.38 2.15 0.00 0.10 0.00 0.00 66.02 66.80 1brh s SER 91 CO 0.00 -1.01 2.29 0.77 0.98 0.00 0.00 173.24 176.28 1brh h SER 92 N 0.05 0.00 -0.48 7.02 4.64 -1.19 -0.37 113.55 123.21 1brh h SER 92 Ca -0.45 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 60.64 1brh h SER 92 Cb 1.27 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.22 1brh h SER 92 CO 0.57 0.00 0.07 -0.90 -0.87 0.00 0.00 176.83 175.71 1brh n ASP 93 N -3.36 2.85 -3.60 4.97 5.75 -1.26 -4.98 116.55 116.92 1brh n ASP 93 Ca -0.03 -3.69 -0.27 0.00 -0.01 0.00 0.00 54.79 50.79 1brh n ASP 93 Cb 0.11 -0.67 0.01 0.00 -1.03 0.00 0.00 41.12 39.54 1brh n ASP 93 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1brh n TRP 94 N -1.07 -2.03 -2.81 2.11 7.02 -0.15 -5.00 117.44 115.51 1brh n TRP 94 Ca 0.38 0.68 -0.37 0.00 -1.02 0.00 0.00 57.50 57.16 1brh n TRP 94 Cb 1.16 -3.59 -0.06 0.00 -2.42 0.00 0.00 31.31 26.40 1brh n TRP 94 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1brh s LEU 95 N -6.90 4.40 -0.10 -0.99 1.43 -1.26 -4.81 118.68 110.44 1brh s LEU 95 Ca 0.52 1.81 0.02 0.00 -1.03 0.00 0.00 54.13 55.46 1brh s LEU 95 Cb -0.26 -3.89 0.01 0.00 0.03 0.00 0.00 46.19 42.07 1brh s LEU 95 CO 0.64 -0.01 -0.18 -0.63 0.23 0.00 0.00 176.35 176.40 1brh s ILE 96 N -1.52 1.66 0.17 -0.59 -1.09 -1.17 -1.73 121.20 116.93 1brh s ILE 96 Ca 0.48 -0.76 0.06 0.00 -2.23 0.00 0.00 60.65 58.20 1brh s ILE 96 Cb -0.20 -1.48 -0.05 0.00 -1.58 0.00 0.00 42.46 39.16 1brh s ILE 96 CO 0.25 0.47 -0.11 -0.31 -1.23 0.00 0.00 174.94 174.01 1brh s TYR 97 N 0.75 1.45 0.13 3.97 1.51 -0.33 -0.84 117.35 123.99 1brh s TYR 97 Ca -0.11 -0.70 0.04 0.00 -1.01 0.00 0.00 57.07 55.28 1brh s TYR 97 Cb -0.16 -0.72 -0.04 0.00 -0.11 0.00 0.00 41.96 40.93 1brh s TYR 97 CO 0.02 0.17 -0.09 -1.59 -1.11 0.00 0.00 175.55 172.95 1brh s LYS 98 N -3.72 0.98 -0.04 -0.62 -2.85 0.38 -0.95 119.74 112.92 1brh s LYS 98 Ca 0.20 -1.39 -0.03 0.00 -1.00 0.00 0.00 55.97 53.75 1brh s LYS 98 Cb 0.02 -0.51 0.02 0.00 -2.06 0.00 0.00 37.83 35.30 1brh s LYS 98 CO 0.03 0.05 0.11 -0.08 0.10 0.00 0.00 175.35 175.56 1brh s THR 99 N -3.31 -0.02 -0.04 3.79 -1.32 -0.50 -1.33 115.64 112.91 1brh s THR 99 Ca 0.14 0.07 0.06 0.00 -1.21 0.00 0.00 61.69 60.75 1brh s THR 99 Cb 0.03 -0.17 0.09 0.00 -1.51 0.00 0.00 72.50 70.94 1brh s THR 99 CO -0.01 0.03 1.02 0.35 -2.21 0.00 0.00 174.62 173.80 1brh n THR 100 N 3.44 1.20 -2.71 5.08 -2.24 -1.26 -0.95 114.28 116.84 1brh n THR 100 Ca -0.17 -1.32 -0.07 0.00 -2.27 0.00 0.00 64.05 60.22 1brh n THR 100 Cb 0.57 0.29 0.04 0.00 -2.10 0.00 0.00 70.33 69.13 1brh n THR 100 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1brh n ASP 101 N -0.76 1.38 -3.60 3.42 5.68 -1.19 -4.60 116.55 116.88 1brh n ASP 101 Ca 0.05 -2.53 -0.20 0.00 -0.50 0.00 0.00 54.79 51.61 1brh n ASP 101 Cb 0.40 -0.47 0.05 0.00 -1.14 0.00 0.00 41.12 39.96 1brh n ASP 101 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1brh n HIS 102 N -0.22 -2.02 -1.57 2.11 8.25 -0.98 -2.85 115.22 117.95 1brh n HIS 102 Ca 0.08 0.85 -0.15 0.00 -0.26 0.00 0.00 57.72 58.24 1brh n HIS 102 Cb 0.82 -4.53 -0.06 0.00 1.12 0.00 0.00 29.99 27.34 1brh n HIS 102 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1brh n TYR 103 N -4.17 -0.11 -0.05 4.41 4.01 -1.26 -4.90 117.16 115.09 1brh n TYR 103 Ca -0.28 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.31 1brh n TYR 103 Cb 0.67 -2.73 -0.13 0.00 -0.31 0.00 0.00 39.34 36.84 1brh n TYR 103 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 1brh h GLN 104 N 0.00 0.05 -5.20 -0.72 4.20 -1.94 -3.47 115.11 108.04 1brh h GLN 104 Ca -0.32 -0.08 -0.38 0.00 0.06 0.00 0.00 58.65 57.93 1brh h GLN 104 Cb 1.03 0.03 -0.21 0.00 0.30 0.00 0.00 27.48 28.63 1brh h GLN 104 CO 0.45 0.99 -0.76 0.95 -0.67 0.00 0.00 178.83 179.78 1brh s THR 105 N -2.47 1.03 0.14 -0.54 -4.23 -1.26 -5.11 115.64 103.20 1brh s THR 105 Ca -0.18 -1.36 0.05 0.00 -1.18 0.00 0.00 61.69 59.02 1brh s THR 105 Cb -0.02 -1.09 -0.04 0.00 1.34 0.00 0.00 72.50 72.69 1brh s THR 105 CO 0.71 -0.31 -0.12 -0.36 -0.54 0.00 0.00 174.62 174.00 1brh s PHE 106 N -1.53 1.32 -0.01 3.99 0.08 -1.26 -4.41 117.98 116.16 1brh s PHE 106 Ca -0.01 -0.65 0.01 0.00 0.12 0.00 0.00 56.93 56.39 1brh s PHE 106 Cb -0.09 -0.68 0.01 0.00 -0.57 0.00 0.00 43.02 41.70 1brh s PHE 106 CO 0.02 0.12 -0.02 0.99 -0.10 0.00 0.00 175.22 176.22 1brh s THR 107 N -2.75 0.27 0.20 0.64 2.01 -0.44 -4.93 115.64 110.64 1brh s THR 107 Ca 0.13 -0.07 -0.30 0.00 0.31 0.00 0.00 61.69 61.76 1brh s THR 107 Cb -0.01 -0.28 -0.08 0.00 0.01 0.00 0.00 72.50 72.14 1brh s THR 107 CO 0.02 0.11 1.08 -0.75 -0.69 0.00 0.00 174.62 174.40 1brh s LYS 108 N 0.36 4.63 0.00 4.92 2.20 -1.26 -0.47 119.74 130.11 1brh s LYS 108 Ca -0.04 1.71 0.00 0.00 -0.36 0.00 0.00 55.97 57.28 1brh s LYS 108 Cb -0.07 -3.26 0.00 0.00 -1.51 0.00 0.00 37.83 32.99 1brh s LYS 108 CO -0.01 0.14 0.18 0.44 -0.36 0.00 0.00 175.35 175.75 1brh n ILE 109 N 2.09 0.00 -1.83 5.43 -5.35 -0.02 -4.90 119.36 114.79 1brh n ILE 109 Ca 0.02 -0.42 0.00 0.00 -0.27 0.00 0.00 62.75 62.08 1brh n ILE 109 Cb 0.46 1.07 0.00 0.00 -1.74 0.00 0.00 39.64 39.43 1brh n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33