#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1brg s ILE 4 N 0.00 4.11 0.00 0.00 1.01 -1.26 -4.98 121.20 120.07 1brg s ILE 4 Ca 0.00 -0.27 0.01 0.00 0.00 0.00 0.00 60.65 60.38 1brg s ILE 4 Cb 0.00 -2.83 0.01 0.00 0.01 0.00 0.00 42.46 39.65 1brg s ILE 4 CO 0.00 0.46 0.66 -0.46 0.00 0.00 0.00 174.94 175.60 1brg n ASN 5 N 3.77 -0.04 -4.92 3.58 6.94 -1.26 -4.83 115.26 118.51 1brg n ASN 5 Ca -0.17 -1.31 -0.30 0.00 -0.02 0.00 0.00 54.58 52.78 1brg n ASN 5 Cb 0.52 -0.04 -0.04 0.00 -2.36 0.00 0.00 39.78 37.87 1brg n ASN 5 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1brg s THR 6 N 0.00 5.33 0.17 5.53 -4.23 -1.26 -0.08 115.64 121.10 1brg s THR 6 Ca 0.01 -0.49 -0.19 0.00 -1.18 0.00 0.00 61.69 59.84 1brg s THR 6 Cb 0.01 -3.64 0.09 0.00 1.34 0.00 0.00 72.50 70.30 1brg s THR 6 CO -0.00 0.08 1.64 0.25 -0.54 0.00 0.00 174.62 176.05 1brg h LEU 7 N 2.84 -0.58 -0.20 4.79 5.85 -1.98 0.98 115.31 127.01 1brg h LEU 7 Ca -0.46 0.14 -0.22 0.00 0.84 0.00 0.00 57.88 58.18 1brg h LEU 7 Cb 1.17 0.32 0.00 0.00 0.37 0.00 0.00 40.66 42.52 1brg h LEU 7 CO 0.74 -0.20 -0.91 0.44 -0.34 0.00 0.00 178.44 178.16 1brg h ASP 8 N -0.10 0.55 -0.02 1.25 3.32 -1.98 -1.21 116.42 118.22 1brg h ASP 8 Ca 0.19 -0.43 -0.00 0.00 0.02 0.00 0.00 57.03 56.81 1brg h ASP 8 Cb 0.39 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.77 1brg h ASP 8 CO -0.44 1.22 0.01 1.23 -1.72 0.00 0.00 179.24 179.53 1brg h GLY 9 N 1.20 0.04 1.01 2.75 0.00 -1.90 -1.46 103.07 104.70 1brg h GLY 9 Ca -0.07 -0.02 -0.18 0.00 0.00 0.00 0.00 47.33 47.05 1brg h GLY 9 CO 0.16 0.02 -0.63 -2.08 0.00 0.00 0.00 176.54 174.01 1brg h VAL 10 N -0.13 1.32 -0.27 4.60 2.07 -0.89 -2.53 116.25 120.42 1brg h VAL 10 Ca 0.01 -1.89 0.06 0.00 0.82 0.00 0.00 66.70 65.69 1brg h VAL 10 Cb 0.17 2.10 -0.08 0.00 -1.52 0.00 0.00 31.29 31.96 1brg h VAL 10 CO -0.00 0.58 -0.40 0.00 0.02 0.00 0.00 177.57 177.77 1brg h ALA 11 N 0.51 -0.45 -0.51 1.67 0.00 -1.14 -1.80 119.26 117.54 1brg h ALA 11 Ca -0.04 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1brg h ALA 11 Cb 1.27 0.80 -0.02 0.00 0.00 0.00 0.00 17.79 19.83 1brg h ALA 11 CO 0.13 -0.86 0.28 -0.44 0.00 0.00 0.00 179.25 178.36 1brg h ASP 12 N -0.38 0.64 -0.49 0.00 3.32 -1.33 -2.71 116.42 115.47 1brg h ASP 12 Ca 0.12 -0.09 0.06 0.00 0.02 0.00 0.00 57.03 57.14 1brg h ASP 12 Cb 0.59 -0.16 -0.05 0.00 0.22 0.00 0.00 39.33 39.92 1brg h ASP 12 CO -0.48 0.54 0.19 0.22 -1.72 0.00 0.00 179.24 178.00 1brg h TYR 13 N 0.68 0.35 -0.20 4.55 5.03 -1.18 -2.57 116.97 123.64 1brg h TYR 13 Ca 0.18 0.02 0.05 0.00 2.58 0.00 0.00 58.73 61.56 1brg h TYR 13 Cb 0.04 -0.08 -0.05 0.00 1.55 0.00 0.00 36.73 38.19 1brg h TYR 13 CO -0.02 0.13 -0.11 -0.07 -1.32 0.00 0.00 178.16 176.77 1brg h LEU 14 N 0.38 -0.37 -1.37 2.82 3.38 -1.02 0.19 115.31 119.31 1brg h LEU 14 Ca 0.23 0.09 0.03 0.00 0.09 0.00 0.00 57.88 58.31 1brg h LEU 14 Cb 0.22 0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.13 1brg h LEU 14 CO -0.22 -0.15 0.45 1.56 0.09 0.00 0.00 178.44 180.17 1brg h GLN 15 N -0.10 0.80 0.09 1.13 4.20 -1.32 0.48 115.11 120.39 1brg h GLN 15 Ca 0.11 -0.05 -0.33 0.00 0.06 0.00 0.00 58.65 58.44 1brg h GLN 15 Cb 0.27 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 1brg h GLN 15 CO -0.26 0.53 -1.83 2.41 -0.67 0.00 0.00 178.83 179.00 1brg n THR 16 N -4.45 1.70 0.81 -0.54 -1.04 -0.98 -4.54 114.28 105.23 1brg n THR 16 Ca 0.08 -0.48 0.08 0.00 -2.04 0.00 0.00 64.05 61.69 1brg n THR 16 Cb 0.11 -1.81 -0.08 0.00 -1.82 0.00 0.00 70.33 66.73 1brg n THR 16 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1brg n TYR 17 N -3.75 0.00 -2.84 -1.42 4.01 0.64 -5.01 117.16 108.79 1brg n TYR 17 Ca -0.33 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.19 1brg n TYR 17 Cb 0.95 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 40.00 1brg n TYR 17 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1brg n HIS 18 N -1.17 -1.69 -3.61 -0.72 8.25 0.17 -4.94 115.22 111.50 1brg n HIS 18 Ca 0.04 0.38 -0.03 0.00 -0.26 0.00 0.00 57.72 57.85 1brg n HIS 18 Cb 0.29 -4.34 -0.01 0.00 1.12 0.00 0.00 29.99 27.04 1brg n HIS 18 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1brg s LYS 19 N -5.51 0.49 0.41 -0.41 -2.85 -1.26 -5.07 119.74 105.54 1brg s LYS 19 Ca 0.22 -0.23 -0.23 0.00 -1.00 0.00 0.00 55.97 54.73 1brg s LYS 19 Cb -0.10 0.20 -0.09 0.00 -2.06 0.00 0.00 37.83 35.78 1brg s LYS 19 CO 0.27 -0.22 1.02 -0.51 0.10 0.00 0.00 175.35 176.01 1brg s LEU 20 N -2.57 4.07 0.61 2.77 1.43 -1.26 -4.17 118.68 119.56 1brg s LEU 20 Ca 0.11 1.94 -0.19 0.00 -1.03 0.00 0.00 54.13 54.96 1brg s LEU 20 Cb 0.01 -4.30 -0.03 0.00 0.03 0.00 0.00 46.19 41.90 1brg s LEU 20 CO -0.04 -0.49 1.24 -2.84 0.23 0.00 0.00 176.35 174.45 1brg s PRO 21 N -2.71 2.83 0.00 1.29 0.02 -1.26 -4.91 135.00 130.26 1brg s PRO 21 Ca 0.60 1.92 0.00 0.00 0.02 0.00 0.00 61.00 63.54 1brg s PRO 21 Cb -0.18 -1.91 0.00 0.00 0.02 0.00 0.00 34.50 32.42 1brg s PRO 21 CO 0.23 -1.34 0.75 -0.25 -0.33 0.00 0.00 177.00 176.06 1brg n ASP 22 N -1.68 0.00 -0.44 2.53 8.00 -1.26 -2.41 116.55 121.30 1brg n ASP 22 Ca 0.14 0.28 0.09 0.00 0.71 0.00 0.00 54.79 56.02 1brg n ASP 22 Cb 0.49 -0.28 0.37 0.00 -0.02 0.00 0.00 41.12 41.68 1brg n ASP 22 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1brg n ASN 23 N -1.25 1.31 -4.83 -2.24 6.94 -1.26 -4.85 115.26 109.08 1brg n ASN 23 Ca 0.00 -1.69 -0.36 0.00 -0.02 0.00 0.00 54.58 52.50 1brg n ASN 23 Cb 0.08 -0.10 -0.07 0.00 -2.36 0.00 0.00 39.78 37.33 1brg n ASN 23 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1brg s TYR 24 N -1.81 3.50 -0.05 -2.53 2.02 -1.01 -1.09 117.35 116.38 1brg s TYR 24 Ca 0.29 0.44 -0.08 0.00 -0.37 0.00 0.00 57.07 57.35 1brg s TYR 24 Cb 0.15 -1.95 0.02 0.00 -0.40 0.00 0.00 41.96 39.78 1brg s TYR 24 CO 0.23 0.63 0.20 0.96 -1.57 0.00 0.00 175.55 176.01 1brg s ILE 25 N -0.81 0.03 0.95 2.71 -4.36 -0.63 -4.90 121.20 114.19 1brg s ILE 25 Ca 0.14 -0.24 -0.13 0.00 -0.26 0.00 0.00 60.65 60.16 1brg s ILE 25 Cb -0.12 -0.37 0.16 0.00 1.25 0.00 0.00 42.46 43.38 1brg s ILE 25 CO 0.03 -0.13 1.13 0.42 0.24 0.00 0.00 174.94 176.63 1brg s THR 26 N -0.44 1.98 0.26 8.37 -4.23 -1.20 -1.34 115.64 119.04 1brg s THR 26 Ca -0.05 0.00 -0.04 0.00 -1.18 0.00 0.00 61.69 60.41 1brg s THR 26 Cb -0.04 -2.68 0.26 0.00 1.34 0.00 0.00 72.50 71.39 1brg s THR 26 CO 0.01 0.00 1.91 0.50 -0.54 0.00 0.00 174.62 176.50 1brg h LYS 27 N -1.65 1.24 -0.15 3.99 3.64 -1.96 -1.22 116.57 120.46 1brg h LYS 27 Ca -0.51 -0.07 -0.08 0.00 -1.27 0.00 0.00 60.65 58.72 1brg h LYS 27 Cb 1.33 -0.28 -0.01 0.00 -0.41 0.00 0.00 32.23 32.86 1brg h LYS 27 CO 0.59 0.82 -0.24 0.77 -2.27 0.00 0.00 179.45 179.13 1brg h SER 28 N 1.28 0.27 -0.05 4.20 0.02 -1.99 -1.31 113.55 115.97 1brg h SER 28 Ca 0.40 -0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.26 1brg h SER 28 Cb -0.01 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.46 1brg h SER 28 CO -0.12 0.52 0.00 -0.33 -1.14 0.00 0.00 176.83 175.76 1brg h GLU 29 N 0.25 0.09 -0.03 3.45 5.08 -1.72 -1.68 114.58 120.03 1brg h GLU 29 Ca 0.04 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1brg h GLU 29 Cb 0.57 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 1brg h GLU 29 CO 0.04 0.36 -0.02 0.00 -1.00 0.00 0.00 179.01 178.39 1brg h ALA 30 N 0.73 0.01 -0.57 3.43 0.00 -0.97 -3.01 119.26 118.88 1brg h ALA 30 Ca 0.01 0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.05 1brg h ALA 30 Cb 0.32 0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.06 1brg h ALA 30 CO 0.00 -0.51 0.06 1.96 0.00 0.00 0.00 179.25 180.76 1brg h GLN 31 N -0.02 0.17 0.00 0.00 4.20 -1.18 -0.07 115.11 118.22 1brg h GLN 31 Ca 0.02 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1brg h GLN 31 Cb 0.05 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.79 1brg h GLN 31 CO -0.04 0.11 0.00 0.00 -0.67 0.00 0.00 178.83 178.23 1brg h ALA 32 N 1.49 1.00 0.00 3.87 0.00 -1.17 -2.37 119.26 122.08 1brg h ALA 32 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1brg h ALA 32 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1brg h ALA 32 CO -0.44 0.00 -0.84 1.28 0.00 0.00 0.00 179.25 179.25 1brg n LEU 33 N -2.69 0.76 0.00 0.00 4.77 -0.06 -4.96 117.00 114.83 1brg n LEU 33 Ca -0.01 -0.26 0.00 0.00 -0.03 0.00 0.00 56.01 55.71 1brg n LEU 33 Cb 0.16 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1brg n LEU 33 CO 0.19 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 1brg n GLY 34 N 1.48 1.27 3.74 -0.72 0.00 -0.89 -4.94 105.19 105.13 1brg n GLY 34 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 1brg n GLY 34 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1brg s TRP 35 N -2.00 3.57 -0.28 1.61 -0.00 -1.06 -4.99 118.94 115.79 1brg s TRP 35 Ca 0.00 1.59 0.02 0.00 -0.00 0.00 0.00 56.10 57.71 1brg s TRP 35 Cb 0.00 -3.30 0.08 0.00 -0.00 0.00 0.00 33.47 30.25 1brg s TRP 35 CO 0.00 -0.69 0.00 0.08 -0.00 0.00 0.00 176.95 176.34 1brg s VAL 36 N -0.40 1.70 0.32 5.86 1.01 -1.26 -4.46 120.40 123.16 1brg s VAL 36 Ca 0.49 -1.64 0.03 0.00 0.00 0.00 0.00 61.98 60.86 1brg s VAL 36 Cb -0.30 -2.09 0.29 0.00 0.00 0.00 0.00 36.38 34.27 1brg s VAL 36 CO 0.36 -0.36 1.91 0.00 0.00 0.00 0.00 175.10 177.02 1brg h ALA 37 N 7.86 1.60 0.00 5.51 0.00 -1.98 0.55 119.26 132.79 1brg h ALA 37 Ca -0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1brg h ALA 37 Cb 1.04 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1brg h ALA 37 CO 0.46 0.24 0.00 0.43 0.00 0.00 0.00 179.25 180.38 1brg n SER 38 N -4.51 0.28 -0.03 0.00 7.64 -1.26 -2.59 113.62 113.15 1brg n SER 38 Ca 0.14 0.56 0.04 0.00 1.01 0.00 0.00 58.87 60.62 1brg n SER 38 Cb 0.26 -0.62 -0.16 0.00 -1.01 0.00 0.00 64.21 62.68 1brg n SER 38 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1brg n LYS 39 N -1.80 0.67 -2.51 1.43 4.76 0.13 -4.99 118.16 115.85 1brg n LYS 39 Ca 0.04 -0.12 -0.11 0.00 -2.87 0.00 0.00 58.31 55.24 1brg n LYS 39 Cb 0.24 -1.54 0.01 0.00 -1.84 0.00 0.00 35.03 31.90 1brg n LYS 39 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1brg n GLY 40 N 1.41 0.04 1.92 0.72 0.00 -0.86 -4.88 105.19 103.53 1brg n GLY 40 Ca -0.13 -0.36 0.04 0.00 0.00 0.00 0.00 46.02 45.57 1brg n GLY 40 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1brg n ASN 41 N -0.28 5.55 -0.08 1.61 6.94 -1.24 -3.81 115.26 123.95 1brg n ASN 41 Ca -0.08 -3.01 -0.08 0.00 -0.02 0.00 0.00 54.58 51.39 1brg n ASN 41 Cb 0.57 -0.70 -0.01 0.00 -2.36 0.00 0.00 39.78 37.28 1brg n ASN 41 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1brg h LEU 42 N 3.69 0.24 -2.01 -4.53 5.85 -1.88 -0.79 115.31 115.89 1brg h LEU 42 Ca 0.06 0.01 0.16 0.00 0.84 0.00 0.00 57.88 58.95 1brg h LEU 42 Cb 2.07 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 43.04 1brg h LEU 42 CO 0.55 0.18 0.42 0.00 -0.34 0.00 0.00 178.44 179.25 1brg h ALA 43 N 1.13 2.45 0.18 1.25 0.00 -1.84 0.29 119.26 122.72 1brg h ALA 43 Ca 0.11 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1brg h ALA 43 Cb 0.02 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1brg h ALA 43 CO -0.07 -0.70 -0.08 -0.44 0.00 0.00 0.00 179.25 177.96 1brg h ASP 44 N 0.00 -0.20 0.60 0.00 5.19 -1.51 -3.04 116.42 117.46 1brg h ASP 44 Ca 0.26 -0.32 -0.28 0.00 -0.62 0.00 0.00 57.03 56.06 1brg h ASP 44 Cb 1.10 0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.67 1brg h ASP 44 CO -0.00 0.28 -1.28 -0.37 -3.12 0.00 0.00 179.24 174.74 1brg h VAL 45 N -0.75 1.45 -2.15 -1.35 -1.51 -1.01 -3.39 116.25 107.54 1brg h VAL 45 Ca -0.02 -3.03 -0.58 0.00 -1.23 0.00 0.00 66.70 61.84 1brg h VAL 45 Cb 0.51 2.93 -0.40 0.00 -2.13 0.00 0.00 31.29 32.21 1brg h VAL 45 CO 0.04 0.88 -0.97 0.00 -1.23 0.00 0.00 177.57 176.30 1brg n ALA 46 N -2.55 2.86 -1.69 5.19 0.00 0.98 -5.03 120.51 120.27 1brg n ALA 46 Ca -0.10 -3.66 -0.45 0.00 0.00 0.00 0.00 53.44 49.23 1brg n ALA 46 Cb 1.03 -0.83 -0.03 0.00 0.00 0.00 0.00 19.45 19.62 1brg n ALA 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1brg n PRO 47 N 1.56 2.26 -0.69 0.00 -0.04 -1.15 -2.26 135.00 134.68 1brg n PRO 47 Ca 0.24 0.81 0.00 0.00 -0.04 0.00 0.00 63.50 64.51 1brg n PRO 47 Cb 0.49 -2.55 0.00 0.00 -0.04 0.00 0.00 33.50 31.40 1brg n PRO 47 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1brg n GLY 48 N 2.92 0.73 3.81 0.55 0.00 -1.26 -5.04 105.19 106.90 1brg n GLY 48 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 1brg n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1brg s LYS 49 N -0.31 3.00 0.10 1.61 -0.14 -0.96 -4.79 119.74 118.25 1brg s LYS 49 Ca 0.00 -0.68 0.05 0.00 -1.36 0.00 0.00 55.97 53.98 1brg s LYS 49 Cb 0.00 -2.77 -0.04 0.00 -1.68 0.00 0.00 37.83 33.34 1brg s LYS 49 CO 0.00 0.56 -0.12 -1.12 -0.76 0.00 0.00 175.35 173.91 1brg s SER 50 N -2.57 1.69 0.14 2.83 0.01 -0.25 -4.76 113.70 110.79 1brg s SER 50 Ca 0.31 -0.79 -0.30 0.00 1.31 0.00 0.00 55.95 56.48 1brg s SER 50 Cb -0.12 -0.03 -0.07 0.00 0.21 0.00 0.00 66.02 66.02 1brg s SER 50 CO 0.23 -0.19 1.00 -0.63 0.41 0.00 0.00 173.24 174.06 1brg s ILE 51 N -2.18 4.29 -0.26 1.44 -1.09 -1.26 -1.60 121.20 120.54 1brg s ILE 51 Ca 0.06 1.96 -0.26 0.00 -2.23 0.00 0.00 60.65 60.17 1brg s ILE 51 Cb -0.05 -4.25 0.13 0.00 -1.58 0.00 0.00 42.46 36.72 1brg s ILE 51 CO 0.01 0.32 1.08 -0.83 -1.23 0.00 0.00 174.94 174.30 1brg s GLY 52 N -0.14 -0.10 0.00 6.18 0.00 -0.45 -0.15 107.32 112.65 1brg s GLY 52 Ca 0.47 2.67 0.00 0.00 0.00 0.00 0.00 44.72 47.86 1brg s GLY 52 CO 0.31 1.70 0.00 0.61 0.00 0.00 0.00 173.10 175.72 1brg n GLY 53 N 1.85 1.64 3.82 0.20 0.00 0.16 -3.22 105.19 109.64 1brg n GLY 53 Ca -0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 1brg n GLY 53 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1brg s ASP 54 N -1.84 6.06 0.38 1.61 1.01 -1.24 -4.75 116.67 117.90 1brg s ASP 54 Ca 0.00 1.68 -0.27 0.00 0.71 0.00 0.00 52.55 54.67 1brg s ASP 54 Cb 0.00 -2.52 -0.09 0.00 1.01 0.00 0.00 42.92 41.32 1brg s ASP 54 CO 0.00 -0.98 1.33 -0.63 0.21 0.00 0.00 175.17 175.10 1brg s ILE 55 N -2.64 2.57 -0.24 0.77 -1.09 -1.26 -1.32 121.20 117.99 1brg s ILE 55 Ca 0.61 0.54 0.02 0.00 -2.23 0.00 0.00 60.65 59.59 1brg s ILE 55 Cb -0.13 -3.33 0.05 0.00 -1.58 0.00 0.00 42.46 37.47 1brg s ILE 55 CO 0.38 0.10 -0.12 0.12 -1.23 0.00 0.00 174.94 174.19 1brg s PHE 56 N -1.20 3.08 0.13 3.97 5.36 0.58 -4.79 117.98 125.10 1brg s PHE 56 Ca 0.54 -2.13 -0.19 0.00 -0.96 0.00 0.00 56.93 54.19 1brg s PHE 56 Cb -0.40 -1.89 -0.02 0.00 -0.34 0.00 0.00 43.02 40.38 1brg s PHE 56 CO 0.52 -0.85 1.72 0.66 -1.46 0.00 0.00 175.22 175.81 1brg h SER 57 N 7.82 -0.10 -2.20 6.13 4.64 -1.95 -3.38 113.55 124.52 1brg h SER 57 Ca -0.24 0.05 -0.14 0.00 -0.47 0.00 0.00 61.79 60.99 1brg h SER 57 Cb 1.06 0.09 0.03 0.00 -0.31 0.00 0.00 62.40 63.28 1brg h SER 57 CO 0.49 -0.02 -0.22 -3.20 -0.87 0.00 0.00 176.83 173.01 1brg n ASN 58 N -5.15 -3.28 -0.24 4.97 5.15 -1.26 -4.89 115.26 110.56 1brg n ASN 58 Ca -0.02 -0.13 0.04 0.00 -0.60 0.00 0.00 54.58 53.86 1brg n ASN 58 Cb 0.12 -2.05 0.14 0.00 -0.53 0.00 0.00 39.78 37.45 1brg n ASN 58 CO 0.00 0.00 0.00 -0.09 1.40 0.00 0.00 177.26 178.57 1brg h ARG 59 N -0.67 0.11 -0.11 1.20 9.65 -2.00 -0.41 114.38 122.15 1brg h ARG 59 Ca -0.19 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.68 1brg h ARG 59 Cb 1.13 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.68 1brg h ARG 59 CO 0.20 0.08 0.00 0.39 2.80 0.00 0.00 179.97 183.43 1brg n GLU 60 N -5.31 1.24 -4.36 0.20 1.02 -1.26 -4.93 120.64 107.24 1brg n GLU 60 Ca 0.12 -0.38 -0.39 0.00 -0.02 0.00 0.00 57.16 56.49 1brg n GLU 60 Cb 0.43 -1.08 -0.06 0.00 -0.02 0.00 0.00 31.44 30.71 1brg n GLU 60 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1brg n GLY 61 N 0.66 -0.42 0.23 0.62 0.00 -0.16 -4.77 105.19 101.35 1brg n GLY 61 Ca 0.03 0.09 0.13 0.00 0.00 0.00 0.00 46.02 46.28 1brg n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1brg h LYS 62 N -1.05 0.00 -6.07 1.61 6.56 -1.92 -3.44 116.57 112.26 1brg h LYS 62 Ca -0.58 0.00 -0.68 0.00 -1.06 0.00 0.00 60.65 58.33 1brg h LYS 62 Cb 1.37 0.00 -0.16 0.00 -0.57 0.00 0.00 32.23 32.87 1brg h LYS 62 CO 0.83 0.02 -0.65 -0.51 -2.06 0.00 0.00 179.45 177.08 1brg s LEU 63 N -6.22 3.42 -0.21 2.94 1.43 -1.26 -4.98 118.68 113.81 1brg s LEU 63 Ca 0.05 0.06 -0.34 0.00 -1.03 0.00 0.00 54.13 52.87 1brg s LEU 63 Cb 0.06 -1.80 -0.11 0.00 0.03 0.00 0.00 46.19 44.37 1brg s LEU 63 CO 0.64 0.36 2.01 -2.65 0.23 0.00 0.00 176.35 176.94 1brg n PRO 64 N 2.04 1.71 -1.53 1.29 -0.02 -1.26 -4.99 135.00 132.23 1brg n PRO 64 Ca -0.18 0.57 -0.29 0.00 -2.02 0.00 0.00 63.50 61.58 1brg n PRO 64 Cb 0.53 -2.62 0.17 0.00 -0.02 0.00 0.00 33.50 31.56 1brg n PRO 64 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1brg s GLY 65 N 5.65 1.62 0.00 -1.23 0.00 -1.26 -5.06 107.32 107.04 1brg s GLY 65 Ca 1.00 -0.76 0.00 0.00 0.00 0.00 0.00 44.72 44.96 1brg s GLY 65 CO 0.50 -0.09 0.00 1.17 0.00 0.00 0.00 173.10 174.68 1brg n LYS 66 N -3.96 0.00 -1.68 2.90 4.81 -1.26 -5.06 118.16 113.90 1brg n LYS 66 Ca 0.10 0.00 -0.52 0.00 -0.87 0.00 0.00 58.31 57.01 1brg n LYS 66 Cb 0.59 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.59 1brg n LYS 66 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1brg n SER 67 N 0.00 2.74 -1.40 3.14 2.88 -1.26 -1.40 113.62 118.32 1brg n SER 67 Ca 0.00 1.05 -0.15 0.00 -1.33 0.00 0.00 58.87 58.44 1brg n SER 67 Cb 0.00 -1.26 -0.03 0.00 -0.75 0.00 0.00 64.21 62.17 1brg n SER 67 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1brg n GLY 68 N 3.96 0.63 3.71 0.46 0.00 -1.26 -5.01 105.19 107.69 1brg n GLY 68 Ca 0.23 -0.30 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 1brg n GLY 68 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1brg s ARG 69 N -3.99 3.82 0.07 1.61 3.52 -0.49 -5.00 118.95 118.49 1brg s ARG 69 Ca 0.00 -0.27 0.08 0.00 -0.13 0.00 0.00 55.73 55.41 1brg s ARG 69 Cb 0.00 -3.22 -0.03 0.00 -1.56 0.00 0.00 34.95 30.14 1brg s ARG 69 CO 0.00 0.43 -0.23 0.95 -0.81 0.00 0.00 175.30 175.64 1brg s THR 70 N -0.05 1.85 -0.10 4.11 -4.23 -1.26 -4.82 115.64 111.15 1brg s THR 70 Ca 0.08 -1.38 -0.02 0.00 -1.18 0.00 0.00 61.69 59.19 1brg s THR 70 Cb -0.12 -1.62 -0.03 0.00 1.34 0.00 0.00 72.50 72.07 1brg s THR 70 CO 0.01 0.17 -0.03 0.26 -0.54 0.00 0.00 174.62 174.49 1brg s TRP 71 N -0.91 3.06 0.21 3.99 0.52 -1.26 -0.49 118.94 124.07 1brg s TRP 71 Ca 0.09 0.03 0.04 0.00 0.02 0.00 0.00 56.10 56.28 1brg s TRP 71 Cb -0.09 -1.81 -0.05 0.00 -1.15 0.00 0.00 33.47 30.37 1brg s TRP 71 CO 0.03 0.31 -0.04 1.03 0.02 0.00 0.00 176.95 178.30 1brg s ARG 72 N -0.56 1.28 0.14 4.98 0.52 0.21 -0.31 118.95 125.21 1brg s ARG 72 Ca 0.09 -1.62 0.04 0.00 -0.52 0.00 0.00 55.73 53.72 1brg s ARG 72 Cb -0.12 -0.67 -0.04 0.00 0.52 0.00 0.00 34.95 34.64 1brg s ARG 72 CO 0.02 -0.04 -0.10 -1.83 0.02 0.00 0.00 175.30 173.37 1brg s GLU 73 N -3.82 1.03 0.00 3.54 -1.05 -0.43 -1.09 118.70 116.88 1brg s GLU 73 Ca 0.25 -1.40 -0.06 0.00 -0.15 0.00 0.00 54.97 53.62 1brg s GLU 73 Cb 0.05 -0.63 -0.00 0.00 -0.44 0.00 0.00 34.13 33.11 1brg s GLU 73 CO 0.07 0.08 0.11 0.00 0.95 0.00 0.00 175.26 176.47 1brg s ALA 74 N -3.13 -0.26 0.41 -0.84 0.00 0.96 0.36 121.76 119.26 1brg s ALA 74 Ca 0.15 -0.17 -0.20 0.00 0.00 0.00 0.00 51.96 51.73 1brg s ALA 74 Cb 0.01 0.10 -0.11 0.00 0.00 0.00 0.00 23.12 23.12 1brg s ALA 74 CO 0.01 -0.19 0.92 -0.51 0.00 0.00 0.00 175.76 175.98 1brg s ASP 75 N -1.31 6.92 0.02 0.00 1.11 0.78 0.00 116.67 124.20 1brg s ASP 75 Ca -0.14 1.63 0.07 0.00 0.18 0.00 0.00 52.55 54.29 1brg s ASP 75 Cb -0.08 -2.51 -0.02 0.00 1.07 0.00 0.00 42.92 41.38 1brg s ASP 75 CO 0.01 -0.33 -0.21 -0.63 1.18 0.00 0.00 175.17 175.19 1brg s ILE 76 N -2.15 1.68 -1.96 0.77 -1.09 -1.07 -4.78 121.20 112.59 1brg s ILE 76 Ca 0.61 -1.11 0.00 0.00 -2.23 0.00 0.00 60.65 57.92 1brg s ILE 76 Cb -0.09 -1.44 0.00 0.00 -1.58 0.00 0.00 42.46 39.35 1brg s ILE 76 CO 0.14 0.29 0.00 0.59 -1.23 0.00 0.00 174.94 174.73 1brg n ASN 77 N 2.08 -5.70 -4.81 3.58 3.02 0.89 -4.57 115.26 109.74 1brg n ASN 77 Ca -0.17 0.22 -0.36 0.00 -0.03 0.00 0.00 54.58 54.24 1brg n ASN 77 Cb 0.53 -4.84 -0.06 0.00 -0.61 0.00 0.00 39.78 34.80 1brg n ASN 77 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1brg s TYR 78 N -2.91 3.66 0.00 3.10 5.04 -1.26 -4.92 117.35 120.05 1brg s TYR 78 Ca 0.00 1.43 0.00 0.00 -2.44 0.00 0.00 57.07 56.06 1brg s TYR 78 Cb 0.00 -2.65 0.00 0.00 0.35 0.00 0.00 41.96 39.66 1brg s TYR 78 CO 0.00 0.33 0.00 0.25 -1.34 0.00 0.00 175.55 174.79 1brg n THR 79 N 0.73 0.00 -3.58 4.34 -2.24 -1.26 -4.94 114.28 107.33 1brg n THR 79 Ca -0.02 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.67 1brg n THR 79 Cb 0.51 -0.15 -0.02 0.00 -2.10 0.00 0.00 70.33 68.57 1brg n THR 79 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1brg s SER 80 N -3.57 -0.42 0.00 3.42 1.04 -1.26 -4.69 113.70 108.22 1brg s SER 80 Ca 0.00 -0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.23 1brg s SER 80 Cb 0.00 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.71 1brg s SER 80 CO 0.00 -1.01 0.00 0.61 0.98 0.00 0.00 173.24 173.82 1brg n GLY 81 N -0.39 -1.15 3.72 7.32 0.00 -1.25 -4.88 105.19 108.56 1brg n GLY 81 Ca -0.11 -1.28 -0.34 0.00 0.00 0.00 0.00 46.02 44.29 1brg n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1brg s PHE 82 N 0.00 1.99 0.29 1.61 0.08 -1.25 -4.56 117.98 116.14 1brg s PHE 82 Ca 0.00 1.62 -0.29 0.00 0.12 0.00 0.00 56.93 58.38 1brg s PHE 82 Cb 0.00 -3.45 -0.10 0.00 -0.57 0.00 0.00 43.02 38.90 1brg s PHE 82 CO 0.00 -2.64 1.14 1.03 -0.10 0.00 0.00 175.22 174.65 1brg s ARG 83 N -4.03 4.58 0.00 0.44 0.52 -1.26 -5.03 118.95 114.17 1brg s ARG 83 Ca 0.73 1.89 0.00 0.00 -0.52 0.00 0.00 55.73 57.83 1brg s ARG 83 Cb -0.28 -3.16 0.00 0.00 0.52 0.00 0.00 34.95 32.02 1brg s ARG 83 CO 0.47 0.13 0.00 0.27 0.02 0.00 0.00 175.30 176.20 1brg n ASN 84 N 1.11 -0.05 -0.55 0.23 0.23 -1.26 -5.00 115.26 109.96 1brg n ASN 84 Ca -0.01 -0.06 0.06 0.00 -0.53 0.00 0.00 54.58 54.04 1brg n ASN 84 Cb 0.44 0.00 0.10 0.00 -2.08 0.00 0.00 39.78 38.25 1brg n ASN 84 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1brg n SER 85 N -0.25 2.47 -4.78 0.53 3.41 -1.26 -4.95 113.62 108.78 1brg n SER 85 Ca 0.00 -1.75 -0.37 0.00 -0.26 0.00 0.00 58.87 56.49 1brg n SER 85 Cb 0.00 -0.13 -0.06 0.00 -0.26 0.00 0.00 64.21 63.76 1brg n SER 85 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1brg s ASP 86 N -0.97 6.56 0.04 4.04 1.01 -1.26 -2.38 116.67 123.71 1brg s ASP 86 Ca 0.19 0.66 -0.04 0.00 0.71 0.00 0.00 52.55 54.07 1brg s ASP 86 Cb 0.11 -2.19 -0.02 0.00 1.01 0.00 0.00 42.92 41.83 1brg s ASP 86 CO 0.15 0.20 0.05 -0.13 0.21 0.00 0.00 175.17 175.65 1brg s ARG 87 N -0.20 0.55 -0.08 8.23 1.81 0.21 -2.61 118.95 126.86 1brg s ARG 87 Ca 0.19 -0.83 0.02 0.00 -1.72 0.00 0.00 55.73 53.39 1brg s ARG 87 Cb -0.14 0.21 -0.02 0.00 -0.45 0.00 0.00 34.95 34.54 1brg s ARG 87 CO 0.07 -0.12 -0.12 -1.50 -0.68 0.00 0.00 175.30 172.95 1brg s ILE 88 N -2.69 3.22 -0.20 1.52 2.07 0.10 -1.51 121.20 123.71 1brg s ILE 88 Ca -0.04 -0.64 0.01 0.00 -1.41 0.00 0.00 60.65 58.57 1brg s ILE 88 Cb -0.01 -2.30 0.03 0.00 0.13 0.00 0.00 42.46 40.31 1brg s ILE 88 CO -0.05 0.57 -0.17 -0.76 -1.91 0.00 0.00 174.94 172.62 1brg s LEU 89 N -0.43 2.44 -0.01 8.50 1.02 -0.19 -0.03 118.68 129.99 1brg s LEU 89 Ca 0.05 -0.84 0.06 0.00 0.02 0.00 0.00 54.13 53.42 1brg s LEU 89 Cb -0.12 -1.47 -0.01 0.00 0.02 0.00 0.00 46.19 44.60 1brg s LEU 89 CO 0.02 -0.06 -0.18 -0.72 0.02 0.00 0.00 176.35 175.43 1brg s TYR 90 N 1.26 1.59 0.26 0.29 1.13 -0.25 0.79 117.35 122.42 1brg s TYR 90 Ca 0.01 -0.31 0.05 0.00 -1.41 0.00 0.00 57.07 55.42 1brg s TYR 90 Cb -0.15 -1.01 -0.03 0.00 -1.10 0.00 0.00 41.96 39.67 1brg s TYR 90 CO -0.11 -0.01 0.37 -1.54 -2.51 0.00 0.00 175.55 171.75 1brg s SER 91 N -0.51 6.23 0.38 -0.18 1.04 -0.60 -0.62 113.70 119.44 1brg s SER 91 Ca 0.07 0.01 0.27 0.00 0.48 0.00 0.00 55.95 56.78 1brg s SER 91 Cb -0.07 -1.74 1.35 0.00 0.10 0.00 0.00 66.02 65.66 1brg s SER 91 CO -0.00 -0.13 1.82 0.77 0.98 0.00 0.00 173.24 176.68 1brg h SER 92 N 1.14 0.00 -0.50 7.02 4.64 -1.13 -0.37 113.55 124.35 1brg h SER 92 Ca -0.51 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.68 1brg h SER 92 Cb 1.23 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.25 1brg h SER 92 CO 0.60 0.00 0.11 -0.90 -0.87 0.00 0.00 176.83 175.76 1brg n ASP 93 N -2.46 4.07 -2.16 4.97 5.75 -1.26 -4.93 116.55 120.54 1brg n ASP 93 Ca -0.01 -3.26 -0.17 0.00 -0.01 0.00 0.00 54.79 51.34 1brg n ASP 93 Cb 0.11 -0.66 0.01 0.00 -1.03 0.00 0.00 41.12 39.55 1brg n ASP 93 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1brg n TRP 94 N -0.46 -1.12 -2.93 2.11 7.02 -0.15 -5.02 117.44 116.89 1brg n TRP 94 Ca 0.33 0.17 -0.38 0.00 -1.02 0.00 0.00 57.50 56.59 1brg n TRP 94 Cb 1.15 -3.60 -0.06 0.00 -2.42 0.00 0.00 31.31 26.38 1brg n TRP 94 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1brg s LEU 95 N -5.14 4.48 -0.04 -0.99 1.43 -1.26 -4.85 118.68 112.31 1brg s LEU 95 Ca 0.10 1.67 0.03 0.00 -1.03 0.00 0.00 54.13 54.89 1brg s LEU 95 Cb -0.04 -3.58 0.01 0.00 0.03 0.00 0.00 46.19 42.60 1brg s LEU 95 CO 0.12 0.09 -0.10 -0.63 0.23 0.00 0.00 176.35 176.06 1brg s ILE 96 N -1.36 0.90 0.32 -0.59 -1.09 -0.98 -1.56 121.20 116.84 1brg s ILE 96 Ca 0.42 -0.40 0.05 0.00 -2.23 0.00 0.00 60.65 58.48 1brg s ILE 96 Cb -0.21 -0.81 -0.06 0.00 -1.58 0.00 0.00 42.46 39.80 1brg s ILE 96 CO 0.25 0.28 0.02 -0.31 -1.23 0.00 0.00 174.94 173.95 1brg s TYR 97 N 0.33 2.02 0.08 3.97 1.51 0.24 -1.93 117.35 123.56 1brg s TYR 97 Ca -0.06 -0.85 0.03 0.00 -1.01 0.00 0.00 57.07 55.19 1brg s TYR 97 Cb -0.11 -1.29 -0.03 0.00 -0.11 0.00 0.00 41.96 40.42 1brg s TYR 97 CO 0.01 0.14 -0.10 -1.59 -1.11 0.00 0.00 175.55 172.90 1brg s LYS 98 N -3.82 0.77 0.00 -0.62 -2.85 -0.67 -1.02 119.74 111.54 1brg s LYS 98 Ca 0.34 -1.06 0.02 0.00 -1.00 0.00 0.00 55.97 54.27 1brg s LYS 98 Cb 0.07 -0.48 -0.01 0.00 -2.06 0.00 0.00 37.83 35.35 1brg s LYS 98 CO 0.15 0.08 -0.06 -0.08 0.10 0.00 0.00 175.35 175.54 1brg s THR 99 N -2.18 0.44 -0.06 3.79 -1.32 -0.57 -1.66 115.64 114.09 1brg s THR 99 Ca 0.02 -0.36 0.08 0.00 -1.21 0.00 0.00 61.69 60.22 1brg s THR 99 Cb -0.05 -0.40 0.12 0.00 -1.51 0.00 0.00 72.50 70.67 1brg s THR 99 CO -0.00 0.04 1.01 0.35 -2.21 0.00 0.00 174.62 173.81 1brg n THR 100 N 2.72 1.14 -2.76 5.08 -2.24 -1.26 -0.62 114.28 116.34 1brg n THR 100 Ca -0.14 -1.30 -0.03 0.00 -2.27 0.00 0.00 64.05 60.31 1brg n THR 100 Cb 0.58 0.24 0.06 0.00 -2.10 0.00 0.00 70.33 69.11 1brg n THR 100 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1brg n ASP 101 N -0.78 0.80 -3.04 3.42 5.75 -1.16 -4.61 116.55 116.94 1brg n ASP 101 Ca 0.07 -2.24 -0.14 0.00 -0.01 0.00 0.00 54.79 52.47 1brg n ASP 101 Cb 0.50 -0.19 0.07 0.00 -1.03 0.00 0.00 41.12 40.47 1brg n ASP 101 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1brg n HIS 102 N -0.64 -1.93 -1.23 2.11 8.25 -1.00 -3.05 115.22 117.73 1brg n HIS 102 Ca 0.03 0.78 -0.11 0.00 -0.26 0.00 0.00 57.72 58.16 1brg n HIS 102 Cb 0.82 -4.39 -0.05 0.00 1.12 0.00 0.00 29.99 27.50 1brg n HIS 102 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1brg n TYR 103 N -3.44 -0.16 0.08 4.41 4.02 -1.26 -4.85 117.16 115.96 1brg n TYR 103 Ca -0.19 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 57.63 1brg n TYR 103 Cb 0.63 -2.48 0.05 0.00 -0.02 0.00 0.00 39.34 37.53 1brg n TYR 103 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 176.86 177.81 1brg h GLN 104 N 0.00 0.26 -2.83 -0.72 4.20 -1.96 -3.46 115.11 110.60 1brg h GLN 104 Ca -0.22 -0.22 -0.11 0.00 0.06 0.00 0.00 58.65 58.16 1brg h GLN 104 Cb 0.95 0.05 -0.21 0.00 0.30 0.00 0.00 27.48 28.57 1brg h GLN 104 CO 0.32 0.88 -0.20 0.99 -0.67 0.00 0.00 178.83 180.15 1brg s THR 105 N -3.52 0.04 0.06 -0.54 2.01 -1.26 -5.12 115.64 107.31 1brg s THR 105 Ca -0.04 -0.31 0.05 0.00 0.31 0.00 0.00 61.69 61.69 1brg s THR 105 Cb 0.11 -0.66 -0.03 0.00 0.01 0.00 0.00 72.50 71.93 1brg s THR 105 CO 0.82 -0.17 -0.13 -0.36 -0.69 0.00 0.00 174.62 174.09 1brg s PHE 106 N -1.00 1.12 -0.06 4.92 0.40 -1.26 -4.24 117.98 117.86 1brg s PHE 106 Ca -0.10 -0.46 0.03 0.00 -0.60 0.00 0.00 56.93 55.80 1brg s PHE 106 Cb -0.04 -0.64 0.01 0.00 0.51 0.00 0.00 43.02 42.86 1brg s PHE 106 CO 0.04 0.03 -0.14 0.99 0.70 0.00 0.00 175.22 176.84 1brg s THR 107 N -1.26 1.28 0.10 0.64 2.01 -0.66 -4.97 115.64 112.79 1brg s THR 107 Ca -0.03 -0.59 -0.30 0.00 0.31 0.00 0.00 61.69 61.08 1brg s THR 107 Cb -0.10 -1.14 -0.07 0.00 0.01 0.00 0.00 72.50 71.21 1brg s THR 107 CO 0.02 0.38 1.21 -0.75 -0.69 0.00 0.00 174.62 174.79 1brg s LYS 108 N 0.44 4.44 -0.00 4.92 2.47 -1.26 -1.66 119.74 129.09 1brg s LYS 108 Ca -0.12 1.82 0.01 0.00 -1.56 0.00 0.00 55.97 56.13 1brg s LYS 108 Cb -0.14 -3.31 -0.01 0.00 -1.46 0.00 0.00 37.83 32.91 1brg s LYS 108 CO 0.04 -0.21 0.03 0.44 0.16 0.00 0.00 175.35 175.80 1brg n ILE 109 N 3.49 0.00 -1.63 5.43 -5.35 -0.81 -4.94 119.36 115.53 1brg n ILE 109 Ca 0.08 -0.30 0.00 0.00 -0.27 0.00 0.00 62.75 62.26 1brg n ILE 109 Cb 0.45 0.80 0.00 0.00 -1.74 0.00 0.00 39.64 39.15 1brg n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33