#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1brn s ILE 4 N 0.00 0.90 0.00 1.55 2.07 -1.26 -4.99 121.20 119.47 1brn s ILE 4 Ca 0.00 -0.52 0.06 0.00 -1.41 0.00 0.00 60.65 58.78 1brn s ILE 4 Cb 0.00 -1.14 0.10 0.00 0.13 0.00 0.00 42.46 41.55 1brn s ILE 4 CO 0.00 0.08 0.93 -0.46 -1.91 0.00 0.00 174.94 173.58 1brn n ASN 5 N 4.94 0.11 -4.96 4.50 6.94 -1.26 -4.81 115.26 120.72 1brn n ASN 5 Ca -0.11 -1.78 -0.22 0.00 -0.02 0.00 0.00 54.58 52.45 1brn n ASN 5 Cb 0.48 -0.12 -0.02 0.00 -2.36 0.00 0.00 39.78 37.76 1brn n ASN 5 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1brn s THR 6 N 0.00 5.18 0.12 5.53 -4.23 -1.26 -0.23 115.64 120.75 1brn s THR 6 Ca 0.08 -0.83 -0.28 0.00 -1.18 0.00 0.00 61.69 59.48 1brn s THR 6 Cb 0.09 -3.85 -0.08 0.00 1.34 0.00 0.00 72.50 70.01 1brn s THR 6 CO -0.04 -0.39 1.62 -0.26 -0.54 0.00 0.00 174.62 175.01 1brn h PHE 7 N 1.04 -0.82 -0.54 3.99 0.04 -1.98 0.15 116.94 118.81 1brn h PHE 7 Ca -0.51 0.02 -0.07 0.00 2.80 0.00 0.00 57.97 60.21 1brn h PHE 7 Cb 1.23 0.35 -0.02 0.00 2.20 0.00 0.00 35.95 39.71 1brn h PHE 7 CO 0.47 -0.41 0.08 -0.44 -0.60 0.00 0.00 178.31 177.41 1brn h ASP 8 N -0.50 0.86 -0.08 2.17 3.32 -1.98 -0.06 116.42 120.14 1brn h ASP 8 Ca 0.04 -0.26 0.01 0.00 0.02 0.00 0.00 57.03 56.84 1brn h ASP 8 Cb 0.55 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 1brn h ASP 8 CO -0.20 0.91 0.01 1.23 -1.72 0.00 0.00 179.24 179.47 1brn h GLY 9 N 0.78 0.09 1.16 2.75 0.00 -1.93 0.19 103.07 106.12 1brn h GLY 9 Ca 0.16 -0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.29 1brn h GLY 9 CO 0.01 0.00 -0.60 -2.08 0.00 0.00 0.00 176.54 173.87 1brn h VAL 10 N 0.05 1.27 -0.82 4.60 2.07 -0.93 -1.82 116.25 120.67 1brn h VAL 10 Ca 0.04 -1.78 0.01 0.00 0.82 0.00 0.00 66.70 65.78 1brn h VAL 10 Cb 0.03 1.70 -0.04 0.00 -1.52 0.00 0.00 31.29 31.46 1brn h VAL 10 CO -0.05 0.58 0.55 0.00 0.02 0.00 0.00 177.57 178.66 1brn h ALA 11 N 0.66 1.04 -0.23 1.67 0.00 -0.84 0.74 119.26 122.30 1brn h ALA 11 Ca -0.00 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1brn h ALA 11 Cb 1.21 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1brn h ALA 11 CO 0.13 0.45 -0.01 -0.44 0.00 0.00 0.00 179.25 179.38 1brn h ASP 12 N 1.11 0.41 -0.33 0.00 3.32 -0.54 -1.13 116.42 119.26 1brn h ASP 12 Ca 0.30 -0.32 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1brn h ASP 12 Cb -0.13 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 1brn h ASP 12 CO -0.07 0.63 0.22 0.22 -1.72 0.00 0.00 179.24 178.52 1brn h TYR 13 N 0.17 0.42 -0.54 4.55 5.03 -1.09 -1.03 116.97 124.49 1brn h TYR 13 Ca 0.06 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.39 1brn h TYR 13 Cb 0.43 -0.14 -0.03 0.00 1.55 0.00 0.00 36.73 38.54 1brn h TYR 13 CO 0.04 0.27 0.35 -0.07 -1.32 0.00 0.00 178.16 177.42 1brn h LEU 14 N 0.45 0.62 -0.62 2.82 3.38 -0.79 0.13 115.31 121.29 1brn h LEU 14 Ca 0.12 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 1brn h LEU 14 Cb -0.05 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 1brn h LEU 14 CO -0.03 0.46 0.26 1.56 0.09 0.00 0.00 178.44 180.79 1brn h GLN 15 N 0.73 0.92 0.03 1.13 1.08 -0.92 0.92 115.11 118.99 1brn h GLN 15 Ca 0.20 -0.16 -0.00 0.00 -1.45 0.00 0.00 58.65 57.23 1brn h GLN 15 Cb -0.07 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 27.21 1brn h GLN 15 CO -0.04 0.77 -0.01 1.15 -0.95 0.00 0.00 178.83 179.75 1brn h THR 16 N 0.87 1.37 -0.01 -0.54 2.02 -0.92 -3.39 112.91 112.31 1brn h THR 16 Ca 0.21 -1.34 0.00 0.00 0.77 0.00 0.00 66.41 66.05 1brn h THR 16 Cb 0.18 2.26 0.00 0.00 -1.74 0.00 0.00 68.15 68.85 1brn h THR 16 CO -0.02 0.34 -0.37 -1.22 0.37 0.00 0.00 175.52 174.62 1brn n TYR 17 N -4.83 0.00 -3.40 3.16 4.01 0.41 -5.00 117.16 111.51 1brn n TYR 17 Ca -0.09 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.41 1brn n TYR 17 Cb 0.29 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.37 1brn n TYR 17 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1brn n HIS 18 N -0.20 -2.32 -3.57 -0.72 8.25 0.32 -4.96 115.22 112.01 1brn n HIS 18 Ca 0.06 0.75 -0.09 0.00 -0.26 0.00 0.00 57.72 58.18 1brn n HIS 18 Cb 0.34 -4.44 -0.02 0.00 1.12 0.00 0.00 29.99 26.99 1brn n HIS 18 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1brn s LYS 19 N -6.10 1.26 0.41 -0.41 -2.85 -1.26 -5.08 119.74 105.72 1brn s LYS 19 Ca 0.47 -0.56 -0.16 0.00 -1.00 0.00 0.00 55.97 54.72 1brn s LYS 19 Cb -0.22 0.52 -0.09 0.00 -2.06 0.00 0.00 37.83 35.98 1brn s LYS 19 CO 0.58 -0.56 0.86 -0.51 0.10 0.00 0.00 175.35 175.82 1brn s LEU 20 N -2.74 3.90 0.87 2.77 1.43 -1.26 -4.09 118.68 119.55 1brn s LEU 20 Ca 0.05 1.44 -0.11 0.00 -1.03 0.00 0.00 54.13 54.48 1brn s LEU 20 Cb -0.02 -4.29 0.11 0.00 0.03 0.00 0.00 46.19 42.02 1brn s LEU 20 CO -0.06 -0.36 1.11 -2.16 0.23 0.00 0.00 176.35 175.10 1brn s PRO 21 N -3.41 1.45 0.64 1.29 0.04 -1.26 -4.90 135.00 128.85 1brn s PRO 21 Ca 0.57 1.22 0.26 0.00 0.04 0.00 0.00 61.00 63.09 1brn s PRO 21 Cb -0.10 -1.80 1.39 0.00 0.04 0.00 0.00 34.50 34.03 1brn s PRO 21 CO 0.21 -2.22 1.79 0.38 0.04 0.00 0.00 177.00 177.20 1brn h ASP 22 N -1.56 0.00 -0.04 6.66 2.03 -1.96 -2.68 116.42 118.88 1brn h ASP 22 Ca -0.46 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.84 1brn h ASP 22 Cb 1.26 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.76 1brn h ASP 22 CO 0.48 0.00 0.00 -0.46 -1.03 0.00 0.00 179.24 178.23 1brn n ASN 23 N -3.13 0.22 -4.67 4.15 6.94 -1.26 -4.82 115.26 112.69 1brn n ASN 23 Ca 0.03 -1.95 -0.35 0.00 -0.02 0.00 0.00 54.58 52.29 1brn n ASN 23 Cb 0.58 -0.03 -0.10 0.00 -2.36 0.00 0.00 39.78 37.88 1brn n ASN 23 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1brn s TYR 24 N -1.95 3.18 0.05 -2.53 2.02 -1.01 -0.52 117.35 116.58 1brn s TYR 24 Ca 0.05 0.14 0.03 0.00 -0.37 0.00 0.00 57.07 56.93 1brn s TYR 24 Cb 0.03 -1.85 -0.02 0.00 -0.40 0.00 0.00 41.96 39.71 1brn s TYR 24 CO 0.04 0.39 -0.10 0.96 -1.57 0.00 0.00 175.55 175.27 1brn s ILE 25 N -0.61 0.77 0.94 2.71 -4.36 -0.27 -4.90 121.20 115.49 1brn s ILE 25 Ca 0.10 -1.05 -0.12 0.00 -0.26 0.00 0.00 60.65 59.32 1brn s ILE 25 Cb -0.12 -0.77 0.15 0.00 1.25 0.00 0.00 42.46 42.97 1brn s ILE 25 CO 0.02 -0.23 1.12 0.42 0.24 0.00 0.00 174.94 176.51 1brn s THR 26 N -1.15 2.05 0.18 8.37 -4.23 -1.20 -0.70 115.64 118.97 1brn s THR 26 Ca -0.05 0.02 -0.12 0.00 -1.18 0.00 0.00 61.69 60.35 1brn s THR 26 Cb -0.09 -2.67 0.10 0.00 1.34 0.00 0.00 72.50 71.17 1brn s THR 26 CO 0.01 -0.02 1.83 0.11 -0.54 0.00 0.00 174.62 176.01 1brn h LYS 27 N -1.63 0.83 -0.92 3.99 1.57 -1.97 0.42 116.57 118.86 1brn h LYS 27 Ca -0.52 -0.07 0.02 0.00 -1.87 0.00 0.00 60.65 58.21 1brn h LYS 27 Cb 1.33 -0.18 -0.05 0.00 0.08 0.00 0.00 32.23 33.41 1brn h LYS 27 CO 0.60 0.58 0.61 1.03 -0.57 0.00 0.00 179.45 181.70 1brn h SER 28 N 0.83 1.03 -0.28 0.86 0.87 -1.98 0.31 113.55 115.20 1brn h SER 28 Ca 0.22 -0.02 -0.06 0.00 -1.23 0.00 0.00 61.79 60.70 1brn h SER 28 Cb -0.04 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.66 1brn h SER 28 CO -0.04 0.73 -0.06 -0.33 -0.53 0.00 0.00 176.83 176.60 1brn h GLU 29 N 1.22 0.53 -0.54 2.24 5.08 -1.81 -0.97 114.58 120.32 1brn h GLU 29 Ca 0.35 -0.20 -0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1brn h GLU 29 Cb -0.09 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.11 1brn h GLU 29 CO -0.09 0.73 0.32 0.00 -1.00 0.00 0.00 179.01 178.98 1brn h ALA 30 N 0.78 0.69 -0.57 3.43 0.00 -0.41 -1.86 119.26 121.32 1brn h ALA 30 Ca 0.07 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1brn h ALA 30 Cb 0.53 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1brn h ALA 30 CO 0.03 0.18 0.28 1.96 0.00 0.00 0.00 179.25 181.70 1brn h GLN 31 N 0.73 0.80 -0.03 0.00 4.20 -0.28 -1.04 115.11 119.50 1brn h GLN 31 Ca 0.19 -0.09 -0.06 0.00 0.06 0.00 0.00 58.65 58.75 1brn h GLN 31 Cb -0.01 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.61 1brn h GLN 31 CO -0.04 0.61 -0.29 0.00 -0.67 0.00 0.00 178.83 178.45 1brn h ALA 32 N 1.51 1.48 -0.00 3.87 0.00 -0.57 -2.43 119.26 123.12 1brn h ALA 32 Ca 0.20 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1brn h ALA 32 Cb 0.07 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1brn h ALA 32 CO -0.03 0.39 -0.08 1.28 0.00 0.00 0.00 179.25 180.81 1brn n LEU 33 N -4.18 0.15 0.00 0.00 4.77 -0.49 -4.90 117.00 112.36 1brn n LEU 33 Ca -0.02 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 1brn n LEU 33 Cb 0.35 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 1brn n LEU 33 CO 0.38 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 1brn n GLY 34 N 1.38 1.22 3.72 -0.72 0.00 -0.91 -4.86 105.19 105.02 1brn n GLY 34 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1brn n GLY 34 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1brn s TRP 35 N -2.00 3.28 -0.22 1.61 -0.00 -0.66 -4.95 118.94 116.00 1brn s TRP 35 Ca 0.00 1.12 -0.01 0.00 -0.00 0.00 0.00 56.10 57.22 1brn s TRP 35 Cb 0.00 -3.61 0.06 0.00 -0.00 0.00 0.00 33.47 29.92 1brn s TRP 35 CO 0.00 -2.00 -0.02 0.14 -0.00 0.00 0.00 176.95 175.07 1brn s VAL 36 N 0.65 1.15 0.19 5.86 -7.23 -1.26 -4.47 120.40 115.28 1brn s VAL 36 Ca 0.60 -0.99 -0.25 0.00 -1.81 0.00 0.00 61.98 59.54 1brn s VAL 36 Cb -0.36 -1.52 0.07 0.00 0.56 0.00 0.00 36.38 35.14 1brn s VAL 36 CO 0.34 -0.16 1.56 0.00 -0.31 0.00 0.00 175.10 176.52 1brn h ALA 37 N 8.06 -0.24 0.00 1.32 0.00 -2.00 0.24 119.26 126.65 1brn h ALA 37 Ca -0.17 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1brn h ALA 37 Cb 1.09 1.09 0.00 0.00 0.00 0.00 0.00 17.79 19.96 1brn h ALA 37 CO 0.39 -0.80 0.00 -1.13 0.00 0.00 0.00 179.25 177.70 1brn n SER 38 N -5.39 0.17 -0.00 0.00 3.41 -1.26 -1.44 113.62 109.11 1brn n SER 38 Ca 0.04 0.58 0.10 0.00 -0.26 0.00 0.00 58.87 59.33 1brn n SER 38 Cb 0.34 -0.60 -0.12 0.00 -0.26 0.00 0.00 64.21 63.58 1brn n SER 38 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1brn n LYS 39 N -1.72 0.37 -3.69 4.33 4.01 0.84 -4.98 118.16 117.31 1brn n LYS 39 Ca -0.00 -0.02 -0.28 0.00 -0.51 0.00 0.00 58.31 57.50 1brn n LYS 39 Cb 0.02 -1.46 0.01 0.00 -0.51 0.00 0.00 35.03 33.09 1brn n LYS 39 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1brn n GLY 40 N 1.46 -0.49 1.41 0.72 0.00 -0.52 -4.88 105.19 102.89 1brn n GLY 40 Ca 0.03 0.15 0.08 0.00 0.00 0.00 0.00 46.02 46.28 1brn n GLY 40 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1brn n ASN 41 N -2.61 4.16 -0.14 1.61 6.94 -1.26 -4.05 115.26 119.91 1brn n ASN 41 Ca 0.02 -2.36 -0.05 0.00 -0.02 0.00 0.00 54.58 52.17 1brn n ASN 41 Cb 0.53 -0.53 0.02 0.00 -2.36 0.00 0.00 39.78 37.44 1brn n ASN 41 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1brn h LEU 42 N 3.60 -0.74 -1.59 -4.53 5.85 -1.89 0.46 115.31 116.48 1brn h LEU 42 Ca 0.00 0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.89 1brn h LEU 42 Cb 1.27 0.40 0.00 0.00 0.37 0.00 0.00 40.66 42.70 1brn h LEU 42 CO 0.19 -0.24 0.00 0.00 -0.34 0.00 0.00 178.44 178.05 1brn h ALA 43 N 1.18 1.00 0.04 1.25 0.00 -1.83 0.20 119.26 121.10 1brn h ALA 43 Ca 0.22 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.80 1brn h ALA 43 Cb 0.46 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 1brn h ALA 43 CO -0.53 0.00 -1.92 -0.40 0.00 0.00 0.00 179.25 176.40 1brn n ASP 44 N -2.47 1.30 0.07 0.00 5.75 0.07 -3.38 116.55 117.89 1brn n ASP 44 Ca -0.01 0.27 0.00 0.00 -0.01 0.00 0.00 54.79 55.04 1brn n ASP 44 Cb 0.10 -0.27 -0.05 0.00 -1.03 0.00 0.00 41.12 39.87 1brn n ASP 44 CO 0.00 0.00 0.00 -0.37 -0.11 0.00 0.00 177.20 176.72 1brn h VAL 45 N 0.03 0.69 -2.10 2.12 -1.51 -0.78 -3.42 116.25 111.29 1brn h VAL 45 Ca -0.38 -2.17 -0.56 0.00 -1.23 0.00 0.00 66.70 62.37 1brn h VAL 45 Cb 2.04 2.21 -0.37 0.00 -2.13 0.00 0.00 31.29 33.04 1brn h VAL 45 CO 0.07 0.40 -1.01 0.00 -1.23 0.00 0.00 177.57 175.79 1brn n ALA 46 N -2.34 2.43 -1.66 5.19 0.00 0.65 -4.92 120.51 119.85 1brn n ALA 46 Ca -0.06 -3.14 -0.47 0.00 0.00 0.00 0.00 53.44 49.77 1brn n ALA 46 Cb 0.82 -0.81 -0.05 0.00 0.00 0.00 0.00 19.45 19.41 1brn n ALA 46 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1brn n PRO 47 N 2.15 2.02 -1.03 0.00 -0.02 -1.22 -1.78 135.00 135.12 1brn n PRO 47 Ca 0.25 0.73 -0.01 0.00 -2.02 0.00 0.00 63.50 62.45 1brn n PRO 47 Cb 0.51 -2.50 -0.00 0.00 -0.02 0.00 0.00 33.50 31.48 1brn n PRO 47 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1brn n GLY 48 N 3.55 0.41 3.84 -1.23 0.00 -1.26 -5.02 105.19 105.49 1brn n GLY 48 Ca 0.19 -0.10 -0.28 0.00 0.00 0.00 0.00 46.02 45.83 1brn n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1brn s LYS 49 N -0.95 3.08 0.09 1.61 -0.14 -0.74 -4.84 119.74 117.85 1brn s LYS 49 Ca 0.00 -0.73 0.05 0.00 -1.36 0.00 0.00 55.97 53.94 1brn s LYS 49 Cb 0.00 -2.78 -0.03 0.00 -1.68 0.00 0.00 37.83 33.34 1brn s LYS 49 CO 0.00 0.52 -0.14 -1.12 -0.76 0.00 0.00 175.35 173.85 1brn s SER 50 N -2.93 1.80 0.14 2.83 0.01 0.32 -4.85 113.70 111.02 1brn s SER 50 Ca 0.32 -0.68 -0.30 0.00 1.31 0.00 0.00 55.95 56.60 1brn s SER 50 Cb -0.11 -0.06 -0.07 0.00 0.21 0.00 0.00 66.02 66.00 1brn s SER 50 CO 0.25 -0.09 1.03 -0.63 0.41 0.00 0.00 173.24 174.20 1brn s ILE 51 N -1.52 4.23 -0.20 1.44 -1.09 -1.26 -1.11 121.20 121.69 1brn s ILE 51 Ca 0.01 1.87 -0.33 0.00 -2.23 0.00 0.00 60.65 59.98 1brn s ILE 51 Cb -0.08 -4.19 0.15 0.00 -1.58 0.00 0.00 42.46 36.75 1brn s ILE 51 CO 0.02 0.30 1.20 -0.83 -1.23 0.00 0.00 174.94 174.40 1brn s GLY 52 N -0.01 -0.21 0.00 6.18 0.00 0.13 -0.87 107.32 112.54 1brn s GLY 52 Ca 0.48 1.92 0.00 0.00 0.00 0.00 0.00 44.72 47.12 1brn s GLY 52 CO 0.32 0.73 0.00 0.61 0.00 0.00 0.00 173.10 174.76 1brn n GLY 53 N 0.17 0.47 3.87 0.20 0.00 -0.44 -3.24 105.19 106.22 1brn n GLY 53 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 1brn n GLY 53 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1brn s ASP 54 N -2.63 6.46 0.28 1.61 2.15 -1.20 -4.77 116.67 118.57 1brn s ASP 54 Ca 0.00 1.22 -0.29 0.00 0.43 0.00 0.00 52.55 53.91 1brn s ASP 54 Cb 0.00 -2.36 -0.10 0.00 -0.30 0.00 0.00 42.92 40.16 1brn s ASP 54 CO 0.00 -0.52 1.35 -0.63 -0.17 0.00 0.00 175.17 175.19 1brn s ILE 55 N -2.58 2.80 -0.27 4.11 -1.09 -1.26 -1.16 121.20 121.75 1brn s ILE 55 Ca 0.53 0.73 -0.05 0.00 -2.23 0.00 0.00 60.65 59.63 1brn s ILE 55 Cb -0.10 -3.47 0.01 0.00 -1.58 0.00 0.00 42.46 37.32 1brn s ILE 55 CO 0.36 0.14 0.02 0.12 -1.23 0.00 0.00 174.94 174.36 1brn s PHE 56 N -0.54 3.09 -0.69 3.97 5.36 0.36 -4.81 117.98 124.73 1brn s PHE 56 Ca 0.54 -1.08 0.24 0.00 -0.96 0.00 0.00 56.93 55.67 1brn s PHE 56 Cb -0.40 -2.18 0.91 0.00 -0.34 0.00 0.00 43.02 41.01 1brn s PHE 56 CO 0.47 -0.60 1.74 0.45 -1.46 0.00 0.00 175.22 175.82 1brn n SER 57 N 4.81 0.60 -3.36 6.13 2.88 -1.26 -4.15 113.62 119.27 1brn n SER 57 Ca -0.16 0.60 -0.24 0.00 -1.33 0.00 0.00 58.87 57.74 1brn n SER 57 Cb 0.48 -0.74 0.02 0.00 -0.75 0.00 0.00 64.21 63.22 1brn n SER 57 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1brn n ASN 58 N -2.10 -4.74 0.03 -3.46 5.15 -1.26 -4.87 115.26 104.00 1brn n ASN 58 Ca 0.04 -0.43 0.12 0.00 -0.60 0.00 0.00 54.58 53.72 1brn n ASN 58 Cb 0.32 -3.86 0.57 0.00 -0.53 0.00 0.00 39.78 36.29 1brn n ASN 58 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1brn h ARG 59 N -1.35 0.22 0.00 1.20 3.08 -2.00 -1.11 114.38 114.42 1brn h ARG 59 Ca -0.49 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.55 1brn h ARG 59 Cb 1.33 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.33 1brn h ARG 59 CO 0.57 0.14 0.00 0.93 -1.07 0.00 0.00 179.97 180.54 1brn h GLU 60 N 0.22 0.00 -1.02 0.04 3.07 -1.99 -3.47 114.58 111.44 1brn h GLU 60 Ca 0.19 0.00 -0.21 0.00 -0.50 0.00 0.00 59.36 58.85 1brn h GLU 60 Cb 0.48 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.35 1brn h GLU 60 CO -0.04 0.00 -0.23 0.41 -1.40 0.00 0.00 179.01 177.76 1brn n GLY 61 N 0.96 0.50 0.20 -3.84 0.00 -0.42 -4.91 105.19 97.68 1brn n GLY 61 Ca 0.04 -0.51 0.08 0.00 0.00 0.00 0.00 46.02 45.64 1brn n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1brn h LYS 62 N 0.00 0.00 -6.14 1.61 6.56 -1.91 -3.44 116.57 113.25 1brn h LYS 62 Ca -0.23 0.00 -0.59 0.00 -1.06 0.00 0.00 60.65 58.77 1brn h LYS 62 Cb 0.95 0.00 -0.07 0.00 -0.57 0.00 0.00 32.23 32.54 1brn h LYS 62 CO 0.29 0.29 -0.55 -0.51 -2.06 0.00 0.00 179.45 176.91 1brn s LEU 63 N -6.66 3.94 0.06 2.94 1.43 -1.26 -4.95 118.68 114.19 1brn s LEU 63 Ca 0.02 -0.01 -0.34 0.00 -1.03 0.00 0.00 54.13 52.77 1brn s LEU 63 Cb 0.09 -2.57 -0.13 0.00 0.03 0.00 0.00 46.19 43.61 1brn s LEU 63 CO 0.67 0.11 1.69 -2.65 0.23 0.00 0.00 176.35 176.40 1brn n PRO 64 N -0.09 2.14 -4.23 1.29 -0.02 -1.26 -4.99 135.00 127.84 1brn n PRO 64 Ca -0.08 0.78 -0.28 0.00 -2.02 0.00 0.00 63.50 61.90 1brn n PRO 64 Cb 0.53 -2.57 -0.09 0.00 -0.02 0.00 0.00 33.50 31.35 1brn n PRO 64 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1brn s GLY 65 N 2.15 1.77 -0.28 -1.23 0.00 -1.26 -5.11 107.32 103.36 1brn s GLY 65 Ca 0.84 -1.33 -0.23 0.00 0.00 0.00 0.00 44.72 44.00 1brn s GLY 65 CO 0.44 -1.33 0.86 0.54 0.00 0.00 0.00 173.10 173.60 1brn s LYS 66 N -2.59 0.66 0.14 2.90 3.01 -1.26 -5.09 119.74 117.51 1brn s LYS 66 Ca 0.24 0.84 -0.34 0.00 -1.01 0.00 0.00 55.97 55.70 1brn s LYS 66 Cb -0.10 0.29 -0.16 0.00 -1.01 0.00 0.00 37.83 36.85 1brn s LYS 66 CO 0.16 -0.09 1.20 0.45 0.51 0.00 0.00 175.35 177.58 1brn n SER 67 N 2.76 1.32 0.00 2.83 2.88 -1.26 -0.87 113.62 121.29 1brn n SER 67 Ca -0.14 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.53 1brn n SER 67 Cb 0.56 -1.19 0.00 0.00 -0.75 0.00 0.00 64.21 62.83 1brn n SER 67 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1brn n GLY 68 N 2.14 0.77 3.72 0.46 0.00 -1.26 -5.01 105.19 106.01 1brn n GLY 68 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 1brn n GLY 68 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1brn s ARG 69 N -0.15 4.32 -0.06 1.61 3.52 -0.05 -5.00 118.95 123.15 1brn s ARG 69 Ca 0.00 0.38 0.02 0.00 -0.13 0.00 0.00 55.73 56.00 1brn s ARG 69 Cb 0.00 -3.43 -0.03 0.00 -1.56 0.00 0.00 34.95 29.93 1brn s ARG 69 CO 0.00 0.18 -0.08 0.99 -0.81 0.00 0.00 175.30 175.58 1brn s THR 70 N 0.56 3.57 -0.02 4.11 2.01 -1.26 -4.82 115.64 119.80 1brn s THR 70 Ca 0.24 -0.55 0.05 0.00 0.31 0.00 0.00 61.69 61.74 1brn s THR 70 Cb -0.15 -2.45 -0.03 0.00 0.01 0.00 0.00 72.50 69.88 1brn s THR 70 CO 0.09 0.58 -0.16 0.26 -0.69 0.00 0.00 174.62 174.70 1brn s TRP 71 N -0.81 2.64 0.14 4.92 0.52 -1.26 -0.83 118.94 124.27 1brn s TRP 71 Ca 0.13 -0.20 0.05 0.00 0.02 0.00 0.00 56.10 56.10 1brn s TRP 71 Cb -0.11 -1.57 -0.04 0.00 -1.15 0.00 0.00 33.47 30.60 1brn s TRP 71 CO 0.02 0.20 -0.11 1.03 0.02 0.00 0.00 176.95 178.11 1brn s ARG 72 N -0.99 1.05 0.09 4.98 0.52 -0.06 -0.49 118.95 124.06 1brn s ARG 72 Ca 0.13 -1.38 0.03 0.00 -0.52 0.00 0.00 55.73 53.98 1brn s ARG 72 Cb -0.11 -0.72 -0.04 0.00 0.52 0.00 0.00 34.95 34.61 1brn s ARG 72 CO 0.02 0.11 -0.09 -1.83 0.02 0.00 0.00 175.30 173.53 1brn s GLU 73 N -3.39 0.80 -0.05 3.54 4.04 -0.31 -1.17 118.70 122.16 1brn s GLU 73 Ca 0.14 -1.16 -0.08 0.00 0.04 0.00 0.00 54.97 53.92 1brn s GLU 73 Cb -0.00 -0.40 0.01 0.00 0.02 0.00 0.00 34.13 33.77 1brn s GLU 73 CO 0.02 0.05 0.19 0.00 -1.84 0.00 0.00 175.26 173.67 1brn s ALA 74 N -2.66 -0.47 0.43 -0.84 0.00 -0.45 -1.33 121.76 116.44 1brn s ALA 74 Ca 0.05 0.35 -0.25 0.00 0.00 0.00 0.00 51.96 52.11 1brn s ALA 74 Cb -0.01 -0.18 -0.08 0.00 0.00 0.00 0.00 23.12 22.85 1brn s ALA 74 CO -0.01 -0.14 1.31 -0.51 0.00 0.00 0.00 175.76 176.41 1brn s ASP 75 N -0.41 6.15 0.07 0.00 1.11 -0.04 -1.07 116.67 122.47 1brn s ASP 75 Ca -0.05 2.66 0.07 0.00 0.18 0.00 0.00 52.55 55.41 1brn s ASP 75 Cb -0.03 -2.64 -0.03 0.00 1.07 0.00 0.00 42.92 41.29 1brn s ASP 75 CO 0.01 -0.96 -0.18 -0.63 1.18 0.00 0.00 175.17 174.58 1brn s ILE 76 N -1.29 1.48 -1.03 0.77 -1.09 -0.81 -4.78 121.20 114.45 1brn s ILE 76 Ca 0.59 -1.32 0.00 0.00 -2.23 0.00 0.00 60.65 57.69 1brn s ILE 76 Cb -0.38 -1.34 0.00 0.00 -1.58 0.00 0.00 42.46 39.16 1brn s ILE 76 CO 0.48 -0.02 0.00 0.59 -1.23 0.00 0.00 174.94 174.76 1brn n ASN 77 N 1.44 -5.33 -4.71 3.58 5.03 0.68 -4.58 115.26 111.36 1brn n ASN 77 Ca -0.19 0.24 -0.41 0.00 0.87 0.00 0.00 54.58 55.09 1brn n ASN 77 Cb 0.54 -3.68 -0.04 0.00 -1.02 0.00 0.00 39.78 35.58 1brn n ASN 77 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 1brn s TYR 78 N -1.98 3.67 0.09 3.10 5.04 -1.26 -4.88 117.35 121.13 1brn s TYR 78 Ca 0.00 1.63 0.00 0.00 -2.44 0.00 0.00 57.07 56.26 1brn s TYR 78 Cb 0.00 -3.05 0.00 0.00 0.35 0.00 0.00 41.96 39.26 1brn s TYR 78 CO 0.00 0.04 0.00 2.41 -1.34 0.00 0.00 175.55 176.66 1brn n THR 79 N 3.71 0.45 -3.84 4.34 -1.04 -1.26 -4.93 114.28 111.72 1brn n THR 79 Ca 0.04 0.15 -0.09 0.00 -2.04 0.00 0.00 64.05 62.11 1brn n THR 79 Cb 0.51 -1.20 -0.04 0.00 -1.82 0.00 0.00 70.33 67.78 1brn n THR 79 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1brn s SER 80 N -5.36 -0.18 0.09 8.00 1.04 -1.26 -4.76 113.70 111.26 1brn s SER 80 Ca 0.00 -0.65 0.00 0.00 0.48 0.00 0.00 55.95 55.78 1brn s SER 80 Cb 0.00 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.69 1brn s SER 80 CO 0.00 -1.07 0.00 0.61 0.98 0.00 0.00 173.24 173.76 1brn n GLY 81 N -0.34 -0.91 3.76 7.32 0.00 -1.26 -4.86 105.19 108.91 1brn n GLY 81 Ca -0.07 -1.20 -0.34 0.00 0.00 0.00 0.00 46.02 44.41 1brn n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1brn s PHE 82 N 0.00 2.54 0.60 1.61 0.40 -1.26 -4.59 117.98 117.28 1brn s PHE 82 Ca 0.00 1.55 -0.16 0.00 -0.60 0.00 0.00 56.93 57.72 1brn s PHE 82 Cb 0.00 -3.28 -0.03 0.00 0.51 0.00 0.00 43.02 40.22 1brn s PHE 82 CO 0.00 -1.83 1.08 1.03 0.70 0.00 0.00 175.22 176.20 1brn s ARG 83 N -3.72 3.19 0.00 0.44 0.52 -1.26 -5.03 118.95 113.09 1brn s ARG 83 Ca 0.71 1.31 0.00 0.00 -0.52 0.00 0.00 55.73 57.23 1brn s ARG 83 Cb -0.24 -2.01 0.00 0.00 0.52 0.00 0.00 34.95 33.22 1brn s ARG 83 CO 0.36 -0.93 0.00 0.27 0.02 0.00 0.00 175.30 175.02 1brn n ASN 84 N -2.01 0.00 -0.83 0.23 0.23 -1.26 -5.04 115.26 106.58 1brn n ASN 84 Ca 0.10 -0.10 0.10 0.00 -0.53 0.00 0.00 54.58 54.15 1brn n ASN 84 Cb 0.52 0.00 0.10 0.00 -2.08 0.00 0.00 39.78 38.33 1brn n ASN 84 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 1brn n SER 85 N -0.29 2.77 -4.64 0.53 2.88 -1.26 -4.94 113.62 108.67 1brn n SER 85 Ca 0.00 -1.85 -0.40 0.00 -1.33 0.00 0.00 58.87 55.29 1brn n SER 85 Cb 0.00 -0.05 -0.06 0.00 -0.75 0.00 0.00 64.21 63.35 1brn n SER 85 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1brn s ASP 86 N -1.58 6.59 -0.01 -3.46 1.01 -1.26 -1.11 116.67 116.86 1brn s ASP 86 Ca 0.25 0.72 -0.06 0.00 0.71 0.00 0.00 52.55 54.18 1brn s ASP 86 Cb 0.17 -2.32 0.00 0.00 1.01 0.00 0.00 42.92 41.78 1brn s ASP 86 CO 0.25 -0.29 0.11 -0.13 0.21 0.00 0.00 175.17 175.33 1brn s ARG 87 N 2.10 0.39 -0.09 8.23 1.81 -0.79 -1.92 118.95 128.69 1brn s ARG 87 Ca 0.26 -0.30 -0.02 0.00 -1.72 0.00 0.00 55.73 53.95 1brn s ARG 87 Cb -0.16 0.16 -0.03 0.00 -0.45 0.00 0.00 34.95 34.47 1brn s ARG 87 CO 0.09 -0.09 0.00 -1.50 -0.68 0.00 0.00 175.30 173.13 1brn s ILE 88 N -1.09 4.30 -0.07 1.52 2.07 -0.23 -3.22 121.20 124.47 1brn s ILE 88 Ca -0.12 -0.25 0.04 0.00 -1.41 0.00 0.00 60.65 58.91 1brn s ILE 88 Cb -0.07 -2.81 -0.01 0.00 0.13 0.00 0.00 42.46 39.70 1brn s ILE 88 CO 0.01 0.60 -0.20 -0.76 -1.91 0.00 0.00 174.94 172.68 1brn s LEU 89 N -0.83 2.34 -0.02 8.50 2.01 0.10 -1.34 118.68 129.44 1brn s LEU 89 Ca 0.13 -0.41 -0.02 0.00 0.01 0.00 0.00 54.13 53.84 1brn s LEU 89 Cb -0.11 -1.46 0.00 0.00 0.01 0.00 0.00 46.19 44.63 1brn s LEU 89 CO 0.02 0.25 0.04 -0.72 1.01 0.00 0.00 176.35 176.95 1brn s TYR 90 N -0.15 -0.04 0.39 0.29 1.13 -0.32 -0.63 117.35 118.03 1brn s TYR 90 Ca -0.03 0.10 0.06 0.00 -1.41 0.00 0.00 57.07 55.79 1brn s TYR 90 Cb -0.14 0.01 0.00 0.00 -1.10 0.00 0.00 41.96 40.73 1brn s TYR 90 CO 0.04 -0.03 0.55 -1.54 -2.51 0.00 0.00 175.55 172.05 1brn s SER 91 N -0.05 5.80 0.59 -0.18 1.04 -0.50 -0.89 113.70 119.51 1brn s SER 91 Ca -0.01 -0.22 0.32 0.00 0.48 0.00 0.00 55.95 56.52 1brn s SER 91 Cb -0.01 -1.03 1.83 0.00 0.10 0.00 0.00 66.02 66.92 1brn s SER 91 CO 0.00 -0.63 2.23 0.77 0.98 0.00 0.00 173.24 176.59 1brn h SER 92 N 0.70 0.00 -0.60 7.02 4.64 -1.34 -1.03 113.55 122.94 1brn h SER 92 Ca -0.43 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.74 1brn h SER 92 Cb 1.27 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.27 1brn h SER 92 CO 0.50 0.03 0.15 -0.90 -0.87 0.00 0.00 176.83 175.74 1brn n ASP 93 N -3.66 4.64 -3.62 4.97 5.75 -1.26 -4.96 116.55 118.40 1brn n ASP 93 Ca -0.03 -3.19 -0.26 0.00 -0.01 0.00 0.00 54.79 51.30 1brn n ASP 93 Cb 0.12 -0.69 0.05 0.00 -1.03 0.00 0.00 41.12 39.57 1brn n ASP 93 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1brn n TRP 94 N -0.18 -2.54 -2.94 2.11 7.02 -0.39 -5.02 117.44 115.51 1brn n TRP 94 Ca 0.35 0.90 -0.39 0.00 -1.02 0.00 0.00 57.50 57.33 1brn n TRP 94 Cb 1.25 -4.53 -0.06 0.00 -2.42 0.00 0.00 31.31 25.55 1brn n TRP 94 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1brn s LEU 95 N -7.20 4.58 -0.08 -0.99 1.43 -1.26 -4.84 118.68 110.32 1brn s LEU 95 Ca 0.57 1.70 0.01 0.00 -1.03 0.00 0.00 54.13 55.38 1brn s LEU 95 Cb -0.27 -3.41 0.02 0.00 0.03 0.00 0.00 46.19 42.56 1brn s LEU 95 CO 0.71 0.18 -0.10 -0.63 0.23 0.00 0.00 176.35 176.74 1brn s ILE 96 N -1.20 1.05 0.24 -0.59 -1.09 -0.89 -1.41 121.20 117.30 1brn s ILE 96 Ca 0.38 -0.38 0.08 0.00 -2.23 0.00 0.00 60.65 58.49 1brn s ILE 96 Cb -0.23 -1.01 -0.05 0.00 -1.58 0.00 0.00 42.46 39.59 1brn s ILE 96 CO 0.27 0.35 -0.12 -0.31 -1.23 0.00 0.00 174.94 173.90 1brn s TYR 97 N 1.08 1.83 0.15 3.97 1.51 0.20 -1.24 117.35 124.86 1brn s TYR 97 Ca -0.07 -0.61 0.05 0.00 -1.01 0.00 0.00 57.07 55.43 1brn s TYR 97 Cb -0.14 -0.92 -0.04 0.00 -0.11 0.00 0.00 41.96 40.74 1brn s TYR 97 CO -0.01 0.35 -0.10 -1.59 -1.11 0.00 0.00 175.55 173.08 1brn s LYS 98 N -3.67 1.08 -0.26 -0.62 -2.85 0.55 0.02 119.74 114.00 1brn s LYS 98 Ca 0.26 -1.46 -0.23 0.00 -1.00 0.00 0.00 55.97 53.53 1brn s LYS 98 Cb 0.01 -0.65 0.07 0.00 -2.06 0.00 0.00 37.83 35.19 1brn s LYS 98 CO 0.09 0.08 0.69 0.99 0.10 0.00 0.00 175.35 177.30 1brn s THR 99 N -3.31 -0.00 0.00 3.79 2.01 -1.20 0.41 115.64 117.35 1brn s THR 99 Ca 0.17 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.17 1brn s THR 99 Cb 0.02 -0.96 0.00 0.00 0.01 0.00 0.00 72.50 71.57 1brn s THR 99 CO 0.01 0.00 0.81 0.35 -0.69 0.00 0.00 174.62 175.10 1brn n THR 100 N 2.86 0.64 -2.39 -0.82 -2.24 -1.26 -1.88 114.28 109.20 1brn n THR 100 Ca -0.15 -0.77 -0.10 0.00 -2.27 0.00 0.00 64.05 60.76 1brn n THR 100 Cb 0.56 0.71 0.04 0.00 -2.10 0.00 0.00 70.33 69.53 1brn n THR 100 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1brn n ASP 101 N -0.32 3.07 -3.63 3.42 5.68 -1.20 -4.55 116.55 119.01 1brn n ASP 101 Ca 0.00 -2.90 -0.24 0.00 -0.50 0.00 0.00 54.79 51.15 1brn n ASP 101 Cb 0.20 -0.41 0.04 0.00 -1.14 0.00 0.00 41.12 39.81 1brn n ASP 101 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 1brn n HIS 102 N -0.62 -1.98 -1.57 2.11 -0.00 -0.26 -2.98 115.22 109.91 1brn n HIS 102 Ca 0.24 0.70 -0.13 0.00 -0.00 0.00 0.00 57.72 58.54 1brn n HIS 102 Cb 0.89 -3.99 -0.04 0.00 -0.00 0.00 0.00 29.99 26.85 1brn n HIS 102 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1brn n TYR 103 N -4.08 -0.14 0.04 1.57 4.01 -1.26 -4.92 117.16 112.38 1brn n TYR 103 Ca -0.19 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.32 1brn n TYR 103 Cb 0.64 -2.41 -0.14 0.00 -0.31 0.00 0.00 39.34 37.11 1brn n TYR 103 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 1brn h GLN 104 N 0.00 0.34 -4.89 -0.72 1.08 -1.95 -3.47 115.11 105.50 1brn h GLN 104 Ca -0.27 -0.58 -0.33 0.00 -1.45 0.00 0.00 58.65 56.03 1brn h GLN 104 Cb 0.91 0.22 -0.21 0.00 -0.05 0.00 0.00 27.48 28.36 1brn h GLN 104 CO 0.37 1.28 -0.75 0.95 -0.95 0.00 0.00 178.83 179.73 1brn s THR 105 N -2.56 0.80 0.05 -0.54 -4.23 -1.26 -5.09 115.64 102.82 1brn s THR 105 Ca -0.18 -1.27 0.03 0.00 -1.18 0.00 0.00 61.69 59.08 1brn s THR 105 Cb 0.06 -0.92 -0.03 0.00 1.34 0.00 0.00 72.50 72.95 1brn s THR 105 CO 0.82 -0.37 -0.09 -0.36 -0.54 0.00 0.00 174.62 174.07 1brn s PHE 106 N -1.59 0.82 -0.06 3.99 0.40 -1.26 -4.17 117.98 116.11 1brn s PHE 106 Ca -0.04 -0.52 0.04 0.00 -0.60 0.00 0.00 56.93 55.81 1brn s PHE 106 Cb -0.08 -0.48 -0.00 0.00 0.51 0.00 0.00 43.02 42.97 1brn s PHE 106 CO 0.01 -0.05 -0.19 0.99 0.70 0.00 0.00 175.22 176.68 1brn s THR 107 N -1.51 1.59 0.10 0.64 2.01 0.17 -4.95 115.64 113.69 1brn s THR 107 Ca -0.07 -0.79 -0.30 0.00 0.31 0.00 0.00 61.69 60.84 1brn s THR 107 Cb -0.09 -1.37 -0.06 0.00 0.01 0.00 0.00 72.50 70.99 1brn s THR 107 CO 0.01 0.45 1.08 -0.75 -0.69 0.00 0.00 174.62 174.72 1brn s LYS 108 N 0.13 4.56 0.00 4.92 2.20 -1.26 -0.33 119.74 129.97 1brn s LYS 108 Ca -0.07 1.63 0.00 0.00 -0.36 0.00 0.00 55.97 57.16 1brn s LYS 108 Cb -0.13 -3.35 0.00 0.00 -1.51 0.00 0.00 37.83 32.84 1brn s LYS 108 CO 0.04 -0.01 0.06 0.44 -0.36 0.00 0.00 175.35 175.52 1brn n ILE 109 N 3.14 0.00 -1.09 5.43 -5.35 -0.37 -4.92 119.36 116.19 1brn n ILE 109 Ca 0.05 -0.27 0.00 0.00 -0.27 0.00 0.00 62.75 62.26 1brn n ILE 109 Cb 0.48 1.11 0.00 0.00 -1.74 0.00 0.00 39.64 39.48 1brn n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33