#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bsc s ILE 4 N 0.00 5.10 0.00 1.34 1.01 -1.26 -4.87 121.20 122.52 1bsc s ILE 4 Ca 0.00 -1.06 0.11 0.00 0.00 0.00 0.00 60.65 59.70 1bsc s ILE 4 Cb 0.00 -4.27 0.19 0.00 0.01 0.00 0.00 42.46 38.39 1bsc s ILE 4 CO 0.00 -0.78 1.02 -0.46 0.00 0.00 0.00 174.94 174.73 1bsc n ASN 5 N 5.56 0.30 -4.92 3.58 6.94 -1.26 -4.79 115.26 120.67 1bsc n ASN 5 Ca -0.11 -1.90 -0.25 0.00 -0.02 0.00 0.00 54.58 52.30 1bsc n ASN 5 Cb 0.43 -0.16 -0.03 0.00 -2.36 0.00 0.00 39.78 37.66 1bsc n ASN 5 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1bsc s THR 6 N 0.00 5.14 0.16 5.53 -4.23 -1.26 -0.18 115.64 120.80 1bsc s THR 6 Ca 0.15 -0.83 -0.20 0.00 -1.18 0.00 0.00 61.69 59.63 1bsc s THR 6 Cb 0.17 -3.68 0.06 0.00 1.34 0.00 0.00 72.50 70.39 1bsc s THR 6 CO -0.07 -0.14 1.65 -0.26 -0.54 0.00 0.00 174.62 175.25 1bsc h PHE 7 N 2.00 -0.43 -0.21 3.99 0.04 -1.98 0.98 116.94 121.33 1bsc h PHE 7 Ca -0.49 0.04 -0.03 0.00 2.80 0.00 0.00 57.97 60.28 1bsc h PHE 7 Cb 1.20 0.24 -0.01 0.00 2.20 0.00 0.00 35.95 39.58 1bsc h PHE 7 CO 0.53 -0.25 -0.01 -0.44 -0.60 0.00 0.00 178.31 177.54 1bsc h ASP 8 N -0.13 0.36 -0.45 2.17 3.32 -1.98 0.17 116.42 119.88 1bsc h ASP 8 Ca 0.16 -0.32 -0.00 0.00 0.02 0.00 0.00 57.03 56.89 1bsc h ASP 8 Cb 0.38 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 1bsc h ASP 8 CO -0.39 0.59 0.28 1.23 -1.72 0.00 0.00 179.24 179.23 1bsc h GLY 9 N 0.12 0.65 0.64 2.75 0.00 -1.89 -0.70 103.07 104.64 1bsc h GLY 9 Ca 0.06 -0.26 -0.06 0.00 0.00 0.00 0.00 47.33 47.07 1bsc h GLY 9 CO 0.01 0.26 -0.16 -2.08 0.00 0.00 0.00 176.54 174.56 1bsc h VAL 10 N 0.60 1.40 -0.79 4.60 2.07 -0.81 -1.64 116.25 121.68 1bsc h VAL 10 Ca 0.16 -1.46 0.04 0.00 0.82 0.00 0.00 66.70 66.26 1bsc h VAL 10 Cb -0.02 2.15 -0.05 0.00 -1.52 0.00 0.00 31.29 31.85 1bsc h VAL 10 CO -0.03 0.41 0.50 0.00 0.02 0.00 0.00 177.57 178.47 1bsc h ALA 11 N 0.50 1.04 -0.37 1.67 0.00 -0.57 -0.49 119.26 121.04 1bsc h ALA 11 Ca 0.00 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 1bsc h ALA 11 Cb 0.75 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1bsc h ALA 11 CO 0.04 0.30 -0.35 -0.44 0.00 0.00 0.00 179.25 178.80 1bsc h ASP 12 N 0.96 0.90 -0.49 0.00 3.32 -1.12 -2.47 116.42 117.52 1bsc h ASP 12 Ca 0.32 -0.39 -0.09 0.00 0.02 0.00 0.00 57.03 56.89 1bsc h ASP 12 Cb 0.03 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.31 1bsc h ASP 12 CO -0.12 1.15 -0.02 0.22 -1.72 0.00 0.00 179.24 178.75 1bsc h TYR 13 N 0.71 1.00 -0.60 4.55 5.03 -0.92 -2.66 116.97 124.08 1bsc h TYR 13 Ca 0.07 -0.16 -0.07 0.00 2.58 0.00 0.00 58.73 61.14 1bsc h TYR 13 Cb 0.91 -0.26 -0.02 0.00 1.55 0.00 0.00 36.73 38.91 1bsc h TYR 13 CO 0.05 0.91 0.09 -0.07 -1.32 0.00 0.00 178.16 177.82 1bsc h LEU 14 N 0.85 0.96 -1.26 2.82 3.38 -0.93 -1.55 115.31 119.58 1bsc h LEU 14 Ca 0.15 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 1bsc h LEU 14 Cb 0.53 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 1bsc h LEU 14 CO 0.03 0.98 -0.01 1.56 0.09 0.00 0.00 178.44 181.10 1bsc h GLN 15 N 0.90 0.00 0.00 1.13 4.20 -1.39 0.20 115.11 120.15 1bsc h GLN 15 Ca 0.18 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.89 1bsc h GLN 15 Cb 0.44 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.22 1bsc h GLN 15 CO 0.01 0.01 -0.41 2.41 -0.67 0.00 0.00 178.83 180.18 1bsc n THR 16 N -3.10 1.11 0.96 -0.54 -1.04 -0.94 -4.54 114.28 106.19 1bsc n THR 16 Ca 0.01 0.28 0.13 0.00 -2.04 0.00 0.00 64.05 62.42 1bsc n THR 16 Cb 0.34 -2.20 0.34 0.00 -1.82 0.00 0.00 70.33 66.99 1bsc n THR 16 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1bsc n TYR 17 N -4.10 0.05 -3.46 -1.42 4.02 -0.63 -4.96 117.16 106.66 1bsc n TYR 17 Ca -0.06 0.02 -0.23 0.00 -0.01 0.00 0.00 57.90 57.61 1bsc n TYR 17 Cb 0.21 -0.35 0.07 0.00 -0.02 0.00 0.00 39.34 39.25 1bsc n TYR 17 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 1bsc n HIS 18 N -1.56 -2.66 -3.78 -0.72 8.25 0.69 -4.96 115.22 110.48 1bsc n HIS 18 Ca 0.06 0.90 -0.03 0.00 -0.26 0.00 0.00 57.72 58.39 1bsc n HIS 18 Cb 0.35 -4.89 -0.00 0.00 1.12 0.00 0.00 29.99 26.56 1bsc n HIS 18 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1bsc s LYS 19 N -6.17 1.15 0.38 -0.41 -2.85 -1.25 -5.07 119.74 105.52 1bsc s LYS 19 Ca 0.52 -0.67 -0.11 0.00 -1.00 0.00 0.00 55.97 54.71 1bsc s LYS 19 Cb -0.23 0.36 -0.07 0.00 -2.06 0.00 0.00 37.83 35.84 1bsc s LYS 19 CO 0.64 -0.53 0.74 -0.51 0.10 0.00 0.00 175.35 175.80 1bsc s LEU 20 N -3.10 3.89 0.84 2.77 1.43 -1.26 -4.12 118.68 119.14 1bsc s LEU 20 Ca 0.16 1.12 -0.11 0.00 -1.03 0.00 0.00 54.13 54.26 1bsc s LEU 20 Cb -0.01 -3.98 0.10 0.00 0.03 0.00 0.00 46.19 42.33 1bsc s LEU 20 CO 0.03 -0.34 1.16 -2.84 0.23 0.00 0.00 176.35 174.58 1bsc s PRO 21 N -3.66 1.52 0.33 1.29 0.02 -1.26 -4.85 135.00 128.39 1bsc s PRO 21 Ca 0.51 1.55 0.17 0.00 0.02 0.00 0.00 61.00 63.25 1bsc s PRO 21 Cb -0.10 -1.78 0.91 0.00 0.02 0.00 0.00 34.50 33.54 1bsc s PRO 21 CO 0.29 -2.26 1.45 -0.40 -0.33 0.00 0.00 177.00 175.74 1bsc n ASP 22 N -3.71 0.43 -0.76 2.53 5.68 -1.26 -2.19 116.55 117.27 1bsc n ASP 22 Ca 0.12 0.64 0.04 0.00 -0.50 0.00 0.00 54.79 55.09 1bsc n ASP 22 Cb 0.52 -0.64 0.15 0.00 -1.14 0.00 0.00 41.12 40.01 1bsc n ASP 22 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 1bsc n ASN 23 N -2.14 2.17 -4.67 -1.12 6.94 -1.26 -4.88 115.26 110.29 1bsc n ASN 23 Ca -0.01 -2.14 -0.31 0.00 -0.02 0.00 0.00 54.58 52.10 1bsc n ASN 23 Cb 0.21 -0.34 -0.09 0.00 -2.36 0.00 0.00 39.78 37.21 1bsc n ASN 23 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1bsc s TYR 24 N -1.64 3.00 0.01 -2.53 1.51 -0.93 -1.46 117.35 115.32 1bsc s TYR 24 Ca 0.22 0.00 0.00 0.00 -1.01 0.00 0.00 57.07 56.28 1bsc s TYR 24 Cb 0.13 -1.58 -0.01 0.00 -0.11 0.00 0.00 41.96 40.39 1bsc s TYR 24 CO 0.12 0.46 -0.02 0.96 -1.11 0.00 0.00 175.55 175.96 1bsc s ILE 25 N -1.20 0.09 1.01 2.71 -4.36 0.01 -4.86 121.20 114.59 1bsc s ILE 25 Ca 0.23 -0.66 -0.14 0.00 -0.26 0.00 0.00 60.65 59.81 1bsc s ILE 25 Cb -0.12 -0.20 0.19 0.00 1.25 0.00 0.00 42.46 43.59 1bsc s ILE 25 CO 0.14 -0.36 1.13 0.42 0.24 0.00 0.00 174.94 176.52 1bsc s THR 26 N -1.06 1.92 0.28 8.37 -4.23 -1.18 -0.50 115.64 119.24 1bsc s THR 26 Ca -0.11 0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 60.39 1bsc s THR 26 Cb -0.07 -2.64 0.14 0.00 1.34 0.00 0.00 72.50 71.27 1bsc s THR 26 CO -0.01 0.00 1.80 0.11 -0.54 0.00 0.00 174.62 175.99 1bsc h LYS 27 N -1.87 0.78 -0.56 3.99 1.57 -1.97 -1.78 116.57 116.74 1bsc h LYS 27 Ca -0.50 -0.18 -0.10 0.00 -1.87 0.00 0.00 60.65 58.00 1bsc h LYS 27 Cb 1.32 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 33.50 1bsc h LYS 27 CO 0.53 0.75 -0.04 0.66 -0.57 0.00 0.00 179.45 180.78 1bsc h SER 28 N 0.75 1.01 -0.44 0.86 4.64 -1.99 0.07 113.55 118.44 1bsc h SER 28 Ca 0.16 -0.32 -0.05 0.00 -0.47 0.00 0.00 61.79 61.11 1bsc h SER 28 Cb 0.36 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 62.16 1bsc h SER 28 CO 0.01 1.09 0.09 -0.33 -0.87 0.00 0.00 176.83 176.81 1bsc h GLU 29 N 0.90 0.72 0.23 4.77 5.08 -1.86 -2.47 114.58 121.95 1bsc h GLU 29 Ca 0.16 -0.19 0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1bsc h GLU 29 Cb 0.59 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 1bsc h GLU 29 CO 0.04 0.74 -0.26 0.00 -1.00 0.00 0.00 179.01 178.52 1bsc h ALA 30 N 0.95 -0.52 -0.60 3.43 0.00 -1.13 -2.49 119.26 118.89 1bsc h ALA 30 Ca 0.14 -0.07 0.10 0.00 0.00 0.00 0.00 54.91 55.07 1bsc h ALA 30 Cb 0.36 0.38 -0.08 0.00 0.00 0.00 0.00 17.79 18.45 1bsc h ALA 30 CO 0.01 -0.83 0.20 1.96 0.00 0.00 0.00 179.25 180.59 1bsc h GLN 31 N -0.54 0.35 -0.96 0.00 4.20 -0.92 -1.80 115.11 115.44 1bsc h GLN 31 Ca 0.00 -0.02 0.06 0.00 0.06 0.00 0.00 58.65 58.75 1bsc h GLN 31 Cb 0.51 -0.08 -0.06 0.00 0.30 0.00 0.00 27.48 28.14 1bsc h GLN 31 CO -0.08 0.23 0.62 0.00 -0.67 0.00 0.00 178.83 178.93 1bsc h ALA 32 N 1.44 1.32 0.00 3.87 0.00 -1.23 -0.34 119.26 124.32 1bsc h ALA 32 Ca 0.31 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1bsc h ALA 32 Cb 0.41 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1bsc h ALA 32 CO -0.34 0.41 0.00 1.28 0.00 0.00 0.00 179.25 180.61 1bsc n LEU 33 N -4.53 0.00 0.00 0.00 4.77 -0.75 -4.87 117.00 111.62 1bsc n LEU 33 Ca 0.14 0.48 0.00 0.00 -0.03 0.00 0.00 56.01 56.61 1bsc n LEU 33 Cb 0.17 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.77 1bsc n LEU 33 CO 0.32 -0.17 0.00 0.61 -1.33 0.00 0.00 177.39 176.82 1bsc n GLY 34 N 0.44 1.48 3.68 -0.72 0.00 -0.14 -4.94 105.19 105.00 1bsc n GLY 34 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1bsc n GLY 34 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1bsc s TRP 35 N -2.00 3.05 -0.30 1.61 -0.00 -0.76 -4.94 118.94 115.60 1bsc s TRP 35 Ca 0.00 1.11 0.03 0.00 -0.00 0.00 0.00 56.10 57.24 1bsc s TRP 35 Cb 0.00 -3.47 0.08 0.00 -0.00 0.00 0.00 33.47 30.08 1bsc s TRP 35 CO 0.00 -1.56 -0.01 0.08 -0.00 0.00 0.00 176.95 175.46 1bsc s VAL 36 N 2.58 2.07 0.28 5.86 1.01 -1.26 -4.41 120.40 126.53 1bsc s VAL 36 Ca 0.57 -1.94 0.02 0.00 0.00 0.00 0.00 61.98 60.63 1bsc s VAL 36 Cb -0.25 -2.40 0.29 0.00 0.00 0.00 0.00 36.38 34.03 1bsc s VAL 36 CO 0.21 -0.37 1.67 0.00 0.00 0.00 0.00 175.10 176.61 1bsc h ALA 37 N 7.73 1.31 0.00 5.51 0.00 -1.99 -0.29 119.26 131.53 1bsc h ALA 37 Ca -0.11 0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1bsc h ALA 37 Cb 1.03 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 1bsc h ALA 37 CO 0.49 -0.40 -0.02 0.77 0.00 0.00 0.00 179.25 180.09 1bsc h SER 38 N 0.29 0.00 -0.36 0.00 0.02 -2.03 -1.76 113.55 109.72 1bsc h SER 38 Ca 0.54 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.49 1bsc h SER 38 Cb 1.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.59 1bsc h SER 38 CO -0.58 0.02 0.00 0.29 -1.14 0.00 0.00 176.83 175.41 1bsc n LYS 39 N -3.15 2.47 -4.34 3.45 5.02 -0.13 -5.00 118.16 116.47 1bsc n LYS 39 Ca -0.01 -2.25 -0.38 0.00 -2.02 0.00 0.00 58.31 53.65 1bsc n LYS 39 Cb 0.21 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.67 1bsc n LYS 39 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1bsc n GLY 40 N 1.46 -0.40 1.49 0.72 0.00 -0.66 -4.87 105.19 102.93 1bsc n GLY 40 Ca 0.19 0.11 0.09 0.00 0.00 0.00 0.00 46.02 46.41 1bsc n GLY 40 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1bsc n ASN 41 N -2.61 4.66 -0.22 1.61 6.94 -1.26 -3.81 115.26 120.58 1bsc n ASN 41 Ca 0.06 -2.50 -0.02 0.00 -0.02 0.00 0.00 54.58 52.09 1bsc n ASN 41 Cb 0.49 -0.56 0.05 0.00 -2.36 0.00 0.00 39.78 37.40 1bsc n ASN 41 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1bsc h LEU 42 N 3.76 -0.85 -2.38 -4.53 5.85 -1.88 0.79 115.31 116.08 1bsc h LEU 42 Ca 0.00 0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.93 1bsc h LEU 42 Cb 1.45 0.49 -0.00 0.00 0.37 0.00 0.00 40.66 42.97 1bsc h LEU 42 CO 0.24 -0.26 -0.03 0.00 -0.34 0.00 0.00 178.44 178.04 1bsc h ALA 43 N 1.42 1.35 0.12 1.25 0.00 -1.84 0.31 119.26 121.88 1bsc h ALA 43 Ca 0.29 -0.03 -0.29 0.00 0.00 0.00 0.00 54.91 54.88 1bsc h ALA 43 Cb 0.53 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.33 1bsc h ALA 43 CO -0.70 0.04 -1.24 -0.44 0.00 0.00 0.00 179.25 176.91 1bsc h ASP 44 N 0.00 0.74 0.12 0.00 3.32 -1.22 -3.25 116.42 116.13 1bsc h ASP 44 Ca -0.00 -0.70 0.00 0.00 0.02 0.00 0.00 57.03 56.35 1bsc h ASP 44 Cb 0.11 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.42 1bsc h ASP 44 CO 0.00 1.52 -1.05 1.33 -1.72 0.00 0.00 179.24 179.33 1bsc n VAL 45 N -3.72 0.02 -2.98 -1.35 0.24 -0.79 -4.61 118.33 105.14 1bsc n VAL 45 Ca -0.12 -0.09 -0.15 0.00 -2.04 0.00 0.00 64.34 61.94 1bsc n VAL 45 Cb 0.99 0.69 0.00 0.00 -1.47 0.00 0.00 33.84 34.05 1bsc n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1bsc n ALA 46 N -1.62 0.63 -1.62 2.33 0.00 0.10 -4.90 120.51 115.43 1bsc n ALA 46 Ca 0.03 -2.46 -0.51 0.00 0.00 0.00 0.00 53.44 50.50 1bsc n ALA 46 Cb 0.37 -1.05 -0.06 0.00 0.00 0.00 0.00 19.45 18.71 1bsc n ALA 46 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1bsc n PRO 47 N 1.06 1.38 -1.07 0.00 -0.02 -1.23 -1.78 135.00 133.34 1bsc n PRO 47 Ca 0.16 0.50 -0.02 0.00 -2.02 0.00 0.00 63.50 62.11 1bsc n PRO 47 Cb 0.62 -2.17 -0.01 0.00 -0.02 0.00 0.00 33.50 31.91 1bsc n PRO 47 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1bsc n GLY 48 N 2.90 0.47 3.89 -1.23 0.00 -1.26 -5.01 105.19 104.93 1bsc n GLY 48 Ca 0.19 -0.13 -0.25 0.00 0.00 0.00 0.00 46.02 45.82 1bsc n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bsc s LYS 49 N -1.38 3.21 0.07 1.61 -0.14 -0.74 -4.85 119.74 117.52 1bsc s LYS 49 Ca 0.00 -0.75 0.05 0.00 -1.36 0.00 0.00 55.97 53.91 1bsc s LYS 49 Cb 0.00 -2.81 -0.03 0.00 -1.68 0.00 0.00 37.83 33.31 1bsc s LYS 49 CO 0.00 0.49 -0.14 -1.12 -0.76 0.00 0.00 175.35 173.81 1bsc s SER 50 N -3.33 1.71 -0.01 2.83 0.01 -0.53 -4.83 113.70 109.55 1bsc s SER 50 Ca 0.33 -0.61 -0.30 0.00 1.31 0.00 0.00 55.95 56.68 1bsc s SER 50 Cb -0.10 -0.06 -0.03 0.00 0.21 0.00 0.00 66.02 66.04 1bsc s SER 50 CO 0.26 -0.06 1.06 -0.63 0.41 0.00 0.00 173.24 174.28 1bsc s ILE 51 N -1.23 4.60 -0.15 1.44 -1.09 -1.26 -0.81 121.20 122.70 1bsc s ILE 51 Ca -0.01 1.87 -0.32 0.00 -2.23 0.00 0.00 60.65 59.96 1bsc s ILE 51 Cb -0.10 -4.20 0.13 0.00 -1.58 0.00 0.00 42.46 36.72 1bsc s ILE 51 CO 0.02 0.11 1.09 -0.83 -1.23 0.00 0.00 174.94 174.10 1bsc s GLY 52 N 1.08 -0.28 0.00 6.18 0.00 0.35 -0.63 107.32 114.02 1bsc s GLY 52 Ca 0.53 1.72 0.00 0.00 0.00 0.00 0.00 44.72 46.98 1bsc s GLY 52 CO 0.26 0.69 0.00 0.61 0.00 0.00 0.00 173.10 174.66 1bsc n GLY 53 N 0.16 0.28 3.79 0.20 0.00 0.57 -3.09 105.19 107.09 1bsc n GLY 53 Ca -0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 1bsc n GLY 53 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1bsc s ASP 54 N -2.30 6.11 0.41 1.61 1.01 -1.23 -4.80 116.67 117.48 1bsc s ASP 54 Ca 0.00 1.96 -0.25 0.00 0.71 0.00 0.00 52.55 54.97 1bsc s ASP 54 Cb 0.00 -2.56 -0.08 0.00 1.01 0.00 0.00 42.92 41.29 1bsc s ASP 54 CO 0.00 -0.94 1.12 -0.63 0.21 0.00 0.00 175.17 174.93 1bsc s ILE 55 N -2.03 3.37 -0.17 0.77 -1.09 -1.26 -1.87 121.20 118.92 1bsc s ILE 55 Ca 0.68 1.09 -0.03 0.00 -2.23 0.00 0.00 60.65 60.17 1bsc s ILE 55 Cb -0.18 -3.59 -0.02 0.00 -1.58 0.00 0.00 42.46 37.10 1bsc s ILE 55 CO 0.24 0.05 -0.07 0.12 -1.23 0.00 0.00 174.94 174.06 1bsc s PHE 56 N -1.52 2.93 0.26 3.97 5.36 0.27 -4.83 117.98 124.41 1bsc s PHE 56 Ca 0.58 -0.66 0.03 0.00 -0.96 0.00 0.00 56.93 55.93 1bsc s PHE 56 Cb -0.27 -1.98 0.33 0.00 -0.34 0.00 0.00 43.02 40.76 1bsc s PHE 56 CO 0.34 -0.29 1.63 0.66 -1.46 0.00 0.00 175.22 176.10 1bsc h SER 57 N 7.24 0.36 -1.10 6.13 4.64 -1.96 -3.38 113.55 125.48 1bsc h SER 57 Ca -0.33 -0.17 -0.30 0.00 -0.47 0.00 0.00 61.79 60.52 1bsc h SER 57 Cb 1.19 -0.10 -0.09 0.00 -0.31 0.00 0.00 62.40 63.09 1bsc h SER 57 CO 0.59 0.78 -0.30 -3.20 -0.87 0.00 0.00 176.83 173.83 1bsc n ASN 58 N -3.99 -4.69 -0.21 4.97 5.15 -1.26 -4.85 115.26 110.38 1bsc n ASN 58 Ca -0.02 0.26 0.02 0.00 -0.60 0.00 0.00 54.58 54.24 1bsc n ASN 58 Cb 0.53 -3.59 0.13 0.00 -0.53 0.00 0.00 39.78 36.32 1bsc n ASN 58 CO 0.00 0.00 0.00 0.08 1.40 0.00 0.00 177.26 178.74 1bsc h ARG 59 N 0.00 0.26 -0.32 1.20 -0.00 -2.00 0.30 114.38 113.82 1bsc h ARG 59 Ca -0.32 -0.02 0.00 0.00 -0.00 0.00 0.00 59.98 59.65 1bsc h ARG 59 Cb 1.05 -0.06 0.00 0.00 -0.00 0.00 0.00 29.97 30.96 1bsc h ARG 59 CO 0.43 0.17 0.00 -0.85 -0.00 0.00 0.00 179.97 179.72 1bsc n GLU 60 N -5.13 0.49 -1.61 0.08 0.28 -1.26 -4.84 120.64 108.65 1bsc n GLU 60 Ca 0.10 0.00 -0.03 0.00 -0.16 0.00 0.00 57.16 57.07 1bsc n GLU 60 Cb 0.35 -1.16 -0.01 0.00 1.43 0.00 0.00 31.44 32.06 1bsc n GLU 60 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1bsc n GLY 61 N 0.16 -0.01 0.19 -1.84 0.00 0.09 -4.84 105.19 98.94 1bsc n GLY 61 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 1bsc n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bsc h LYS 62 N 0.00 0.00 -5.83 1.61 1.57 -1.89 -3.44 116.57 108.60 1bsc h LYS 62 Ca -0.06 0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 58.07 1bsc h LYS 62 Cb 0.51 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.76 1bsc h LYS 62 CO 0.09 0.34 -0.51 -0.51 -0.57 0.00 0.00 179.45 178.29 1bsc s LEU 63 N -6.94 4.26 0.10 2.94 1.43 -1.26 -4.99 118.68 114.21 1bsc s LEU 63 Ca 0.01 0.32 -0.33 0.00 -1.03 0.00 0.00 54.13 53.10 1bsc s LEU 63 Cb 0.10 -2.45 -0.12 0.00 0.03 0.00 0.00 46.19 43.76 1bsc s LEU 63 CO 0.68 0.29 1.77 -0.81 0.23 0.00 0.00 176.35 178.50 1bsc n PRO 64 N 1.17 2.48 -3.71 1.29 -0.04 -1.26 -4.98 135.00 129.94 1bsc n PRO 64 Ca -0.13 0.90 -0.21 0.00 -0.04 0.00 0.00 63.50 64.02 1bsc n PRO 64 Cb 0.53 -2.75 -0.01 0.00 -0.04 0.00 0.00 33.50 31.23 1bsc n PRO 64 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1bsc s GLY 65 N 2.38 1.33 -0.27 0.55 0.00 -1.26 -5.07 107.32 104.98 1bsc s GLY 65 Ca 0.83 -1.21 -0.28 0.00 0.00 0.00 0.00 44.72 44.05 1bsc s GLY 65 CO 0.40 -1.19 1.32 1.25 0.00 0.00 0.00 173.10 174.88 1bsc s LYS 66 N -4.11 0.15 0.15 2.90 2.20 -1.26 -5.07 119.74 114.70 1bsc s LYS 66 Ca 0.38 0.07 -0.31 0.00 -0.36 0.00 0.00 55.97 55.74 1bsc s LYS 66 Cb -0.09 0.07 -0.10 0.00 -1.51 0.00 0.00 37.83 36.20 1bsc s LYS 66 CO 0.31 -0.04 1.65 -1.54 -0.36 0.00 0.00 175.35 175.37 1bsc s SER 67 N -0.75 6.53 0.00 1.43 1.04 -1.26 -0.47 113.70 120.22 1bsc s SER 67 Ca 0.07 2.66 0.00 0.00 0.48 0.00 0.00 55.95 59.16 1bsc s SER 67 Cb -0.02 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.52 1bsc s SER 67 CO -0.08 -0.89 0.00 0.61 0.98 0.00 0.00 173.24 173.85 1bsc n GLY 68 N 3.92 0.80 3.75 7.32 0.00 -1.26 -5.03 105.19 114.68 1bsc n GLY 68 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 1bsc n GLY 68 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1bsc s ARG 69 N -0.25 4.20 -0.01 1.61 3.52 0.38 -4.90 118.95 123.50 1bsc s ARG 69 Ca 0.00 0.20 0.07 0.00 -0.13 0.00 0.00 55.73 55.87 1bsc s ARG 69 Cb 0.00 -3.39 -0.03 0.00 -1.56 0.00 0.00 34.95 29.97 1bsc s ARG 69 CO 0.00 0.30 -0.21 0.99 -0.81 0.00 0.00 175.30 175.58 1bsc s THR 70 N 0.24 2.55 -0.02 4.11 2.01 -1.26 -4.76 115.64 118.51 1bsc s THR 70 Ca 0.19 -1.05 0.01 0.00 0.31 0.00 0.00 61.69 61.16 1bsc s THR 70 Cb -0.14 -1.98 -0.03 0.00 0.01 0.00 0.00 72.50 70.36 1bsc s THR 70 CO 0.06 0.50 -0.01 0.26 -0.69 0.00 0.00 174.62 174.74 1bsc s TRP 71 N -0.75 3.05 0.12 4.92 0.52 -1.26 -1.88 118.94 123.66 1bsc s TRP 71 Ca 0.12 0.08 0.05 0.00 0.02 0.00 0.00 56.10 56.36 1bsc s TRP 71 Cb -0.10 -1.68 -0.04 0.00 -1.15 0.00 0.00 33.47 30.50 1bsc s TRP 71 CO 0.01 0.44 -0.12 1.03 0.02 0.00 0.00 176.95 178.33 1bsc s ARG 72 N -1.38 0.97 0.17 4.98 0.52 0.36 -0.57 118.95 123.99 1bsc s ARG 72 Ca 0.18 -1.24 0.07 0.00 -0.52 0.00 0.00 55.73 54.21 1bsc s ARG 72 Cb -0.11 -0.73 -0.04 0.00 0.52 0.00 0.00 34.95 34.58 1bsc s ARG 72 CO 0.08 0.13 -0.15 -1.83 0.02 0.00 0.00 175.30 173.55 1bsc s GLU 73 N -2.88 1.21 -0.16 3.54 -1.05 -0.78 -0.13 118.70 118.45 1bsc s GLU 73 Ca 0.09 -1.44 -0.13 0.00 -0.15 0.00 0.00 54.97 53.33 1bsc s GLU 73 Cb -0.03 -1.05 0.04 0.00 -0.44 0.00 0.00 34.13 32.65 1bsc s GLU 73 CO 0.02 0.19 0.41 0.00 0.95 0.00 0.00 175.26 176.82 1bsc s ALA 74 N -2.58 -1.02 0.29 -0.84 0.00 -0.64 -0.32 121.76 116.66 1bsc s ALA 74 Ca 0.17 1.21 -0.29 0.00 0.00 0.00 0.00 51.96 53.05 1bsc s ALA 74 Cb -0.03 -0.71 -0.10 0.00 0.00 0.00 0.00 23.12 22.29 1bsc s ALA 74 CO 0.05 -0.20 1.19 -0.51 0.00 0.00 0.00 175.76 176.29 1bsc s ASP 75 N 0.41 7.06 0.03 0.00 1.11 0.19 -0.62 116.67 124.85 1bsc s ASP 75 Ca -0.02 2.43 0.09 0.00 0.18 0.00 0.00 52.55 55.24 1bsc s ASP 75 Cb -0.04 -2.63 -0.03 0.00 1.07 0.00 0.00 42.92 41.29 1bsc s ASP 75 CO -0.02 -0.32 -0.26 -0.63 1.18 0.00 0.00 175.17 175.13 1bsc s ILE 76 N -1.05 2.16 -0.57 0.77 -1.09 -0.17 -4.67 121.20 116.59 1bsc s ILE 76 Ca 0.47 -1.34 0.00 0.00 -2.23 0.00 0.00 60.65 57.55 1bsc s ILE 76 Cb -0.35 -1.83 0.00 0.00 -1.58 0.00 0.00 42.46 38.70 1bsc s ILE 76 CO 0.45 0.40 0.00 0.59 -1.23 0.00 0.00 174.94 175.15 1bsc n ASN 77 N 1.87 -4.52 -4.74 3.58 3.02 0.74 -4.59 115.26 110.63 1bsc n ASN 77 Ca -0.17 0.13 -0.41 0.00 -0.03 0.00 0.00 54.58 54.11 1bsc n ASN 77 Cb 0.52 -2.49 -0.05 0.00 -0.61 0.00 0.00 39.78 37.15 1bsc n ASN 77 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1bsc s TYR 78 N -1.91 3.85 0.01 3.10 5.04 -1.26 -4.93 117.35 121.25 1bsc s TYR 78 Ca 0.00 1.81 0.00 0.00 -2.44 0.00 0.00 57.07 56.44 1bsc s TYR 78 Cb 0.00 -3.02 0.00 0.00 0.35 0.00 0.00 41.96 39.29 1bsc s TYR 78 CO 0.00 0.27 0.00 0.25 -1.34 0.00 0.00 175.55 174.73 1bsc n THR 79 N 2.47 0.04 -3.76 4.34 -2.24 -1.26 -4.94 114.28 108.93 1bsc n THR 79 Ca 0.01 0.01 -0.04 0.00 -2.27 0.00 0.00 64.05 61.76 1bsc n THR 79 Cb 0.49 -1.17 -0.01 0.00 -2.10 0.00 0.00 70.33 67.54 1bsc n THR 79 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1bsc s SER 80 N -5.03 -0.20 0.00 3.42 1.04 -1.26 -4.76 113.70 106.91 1bsc s SER 80 Ca 0.00 -0.41 0.00 0.00 0.48 0.00 0.00 55.95 56.02 1bsc s SER 80 Cb 0.00 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.64 1bsc s SER 80 CO 0.00 -0.96 0.00 0.61 0.98 0.00 0.00 173.24 173.87 1bsc n GLY 81 N -0.46 -1.74 3.75 7.32 0.00 -1.25 -4.90 105.19 107.91 1bsc n GLY 81 Ca -0.06 -1.49 -0.34 0.00 0.00 0.00 0.00 46.02 44.12 1bsc n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bsc s PHE 82 N 0.00 2.38 0.59 1.61 0.08 -1.25 -4.50 117.98 116.89 1bsc s PHE 82 Ca 0.00 1.56 -0.20 0.00 0.12 0.00 0.00 56.93 58.41 1bsc s PHE 82 Cb 0.00 -3.37 -0.03 0.00 -0.57 0.00 0.00 43.02 39.05 1bsc s PHE 82 CO 0.00 -2.11 1.28 1.03 -0.10 0.00 0.00 175.22 175.31 1bsc s ARG 83 N -3.72 2.94 0.00 0.44 0.52 -1.26 -5.02 118.95 112.85 1bsc s ARG 83 Ca 0.73 2.02 0.00 0.00 -0.52 0.00 0.00 55.73 57.96 1bsc s ARG 83 Cb -0.26 -2.03 0.00 0.00 0.52 0.00 0.00 34.95 33.17 1bsc s ARG 83 CO 0.38 -1.28 0.00 0.27 0.02 0.00 0.00 175.30 174.69 1bsc n ASN 84 N -1.44 0.00 -1.00 0.23 0.23 -1.26 -5.03 115.26 106.99 1bsc n ASN 84 Ca 0.13 -0.68 0.11 0.00 -0.53 0.00 0.00 54.58 53.61 1bsc n ASN 84 Cb 0.48 0.00 0.16 0.00 -2.08 0.00 0.00 39.78 38.34 1bsc n ASN 84 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1bsc n SER 85 N -2.03 3.15 -4.67 0.53 3.41 -1.26 -4.96 113.62 107.78 1bsc n SER 85 Ca 0.00 -1.94 -0.38 0.00 -0.26 0.00 0.00 58.87 56.29 1bsc n SER 85 Cb 0.00 -0.15 -0.07 0.00 -0.26 0.00 0.00 64.21 63.72 1bsc n SER 85 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1bsc s ASP 86 N -1.53 6.45 0.03 4.04 1.01 -1.26 -2.09 116.67 123.32 1bsc s ASP 86 Ca 0.32 0.53 -0.02 0.00 0.71 0.00 0.00 52.55 54.09 1bsc s ASP 86 Cb 0.20 -2.23 -0.02 0.00 1.01 0.00 0.00 42.92 41.87 1bsc s ASP 86 CO 0.28 -0.07 0.01 -0.13 0.21 0.00 0.00 175.17 175.47 1bsc s ARG 87 N 1.28 0.49 -0.07 8.23 1.81 -0.03 -1.00 118.95 129.66 1bsc s ARG 87 Ca 0.19 -0.85 -0.00 0.00 -1.72 0.00 0.00 55.73 53.35 1bsc s ARG 87 Cb -0.15 0.18 -0.03 0.00 -0.45 0.00 0.00 34.95 34.50 1bsc s ARG 87 CO 0.08 -0.10 -0.04 0.14 -0.68 0.00 0.00 175.30 174.70 1bsc s VAL 88 N -2.60 3.97 -0.19 3.52 -7.23 0.21 -1.84 120.40 116.23 1bsc s VAL 88 Ca -0.05 -0.39 -0.01 0.00 -1.81 0.00 0.00 61.98 59.72 1bsc s VAL 88 Cb -0.02 -2.65 0.00 0.00 0.56 0.00 0.00 36.38 34.28 1bsc s VAL 88 CO -0.05 0.59 -0.13 -0.76 -0.31 0.00 0.00 175.10 174.45 1bsc s LEU 89 N -0.87 2.51 0.08 1.32 2.01 -0.23 -1.61 118.68 121.89 1bsc s LEU 89 Ca 0.13 -0.51 0.07 0.00 0.01 0.00 0.00 54.13 53.83 1bsc s LEU 89 Cb -0.11 -1.60 -0.03 0.00 0.01 0.00 0.00 46.19 44.45 1bsc s LEU 89 CO 0.02 0.00 -0.19 -0.72 1.01 0.00 0.00 176.35 176.47 1bsc s TYR 90 N 1.30 1.65 0.45 0.29 1.13 0.81 -0.66 117.35 122.32 1bsc s TYR 90 Ca 0.04 -0.41 0.08 0.00 -1.41 0.00 0.00 57.07 55.37 1bsc s TYR 90 Cb -0.14 -0.93 0.01 0.00 -1.10 0.00 0.00 41.96 39.80 1bsc s TYR 90 CO -0.07 0.14 0.50 -1.54 -2.51 0.00 0.00 175.55 172.08 1bsc s SER 91 N -1.65 5.27 0.50 -0.18 1.04 -0.51 -0.49 113.70 117.67 1bsc s SER 91 Ca 0.05 -0.66 0.25 0.00 0.48 0.00 0.00 55.95 56.06 1bsc s SER 91 Cb -0.10 -0.44 1.31 0.00 0.10 0.00 0.00 66.02 66.90 1bsc s SER 91 CO 0.03 -0.81 2.02 0.77 0.98 0.00 0.00 173.24 176.24 1bsc h SER 92 N 0.76 0.00 -0.65 7.02 4.64 -1.72 -0.57 113.55 123.03 1bsc h SER 92 Ca -0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 1bsc h SER 92 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1bsc h SER 92 CO 0.51 0.15 0.00 -0.90 -0.87 0.00 0.00 176.83 175.72 1bsc n ASP 93 N -3.70 4.61 -1.38 4.97 5.75 -1.26 -4.96 116.55 120.58 1bsc n ASP 93 Ca -0.02 -2.40 -0.10 0.00 -0.01 0.00 0.00 54.79 52.26 1bsc n ASP 93 Cb 0.27 -0.57 0.01 0.00 -1.03 0.00 0.00 41.12 39.80 1bsc n ASP 93 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1bsc n TRP 94 N 1.16 -0.73 -2.85 2.11 7.02 -0.22 -5.02 117.44 118.90 1bsc n TRP 94 Ca 0.25 0.13 -0.33 0.00 -1.02 0.00 0.00 57.50 56.53 1bsc n TRP 94 Cb 0.85 -2.58 -0.07 0.00 -2.42 0.00 0.00 31.31 27.10 1bsc n TRP 94 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1bsc s LEU 95 N -3.22 3.98 -0.09 -0.99 1.43 -1.26 -4.78 118.68 113.74 1bsc s LEU 95 Ca 0.08 1.66 0.02 0.00 -1.03 0.00 0.00 54.13 54.85 1bsc s LEU 95 Cb -0.03 -4.46 0.01 0.00 0.03 0.00 0.00 46.19 41.74 1bsc s LEU 95 CO 0.10 -0.33 -0.14 -0.63 0.23 0.00 0.00 176.35 175.58 1bsc s ILE 96 N -2.13 1.37 0.22 -0.59 -1.09 -1.02 -1.42 121.20 116.55 1bsc s ILE 96 Ca 0.61 -0.59 0.09 0.00 -2.23 0.00 0.00 60.65 58.53 1bsc s ILE 96 Cb -0.10 -1.26 -0.05 0.00 -1.58 0.00 0.00 42.46 39.48 1bsc s ILE 96 CO 0.14 0.41 -0.16 -0.31 -1.23 0.00 0.00 174.94 173.79 1bsc s TYR 97 N 0.87 1.87 0.10 3.97 1.51 0.17 -0.89 117.35 124.95 1bsc s TYR 97 Ca -0.10 -0.50 0.06 0.00 -1.01 0.00 0.00 57.07 55.52 1bsc s TYR 97 Cb -0.15 -0.85 -0.03 0.00 -0.11 0.00 0.00 41.96 40.81 1bsc s TYR 97 CO 0.01 0.45 -0.16 -1.59 -1.11 0.00 0.00 175.55 173.15 1bsc s LYS 98 N -3.57 0.98 -0.02 -0.62 -2.85 0.20 -1.07 119.74 112.78 1bsc s LYS 98 Ca 0.24 -1.12 0.01 0.00 -1.00 0.00 0.00 55.97 54.10 1bsc s LYS 98 Cb -0.02 -1.02 0.01 0.00 -2.06 0.00 0.00 37.83 34.75 1bsc s LYS 98 CO 0.09 0.22 -0.03 -0.08 0.10 0.00 0.00 175.35 175.65 1bsc s THR 99 N -1.56 0.36 0.00 3.79 -1.32 -0.77 -1.80 115.64 114.34 1bsc s THR 99 Ca 0.04 -0.09 0.00 0.00 -1.21 0.00 0.00 61.69 60.44 1bsc s THR 99 Cb -0.08 -0.37 0.00 0.00 -1.51 0.00 0.00 72.50 70.54 1bsc s THR 99 CO 0.03 0.15 0.93 0.35 -2.21 0.00 0.00 174.62 173.87 1bsc n THR 100 N 3.64 0.86 -2.37 5.08 -2.24 -1.26 -0.85 114.28 117.15 1bsc n THR 100 Ca -0.21 -0.88 -0.06 0.00 -2.27 0.00 0.00 64.05 60.63 1bsc n THR 100 Cb 0.54 0.57 0.06 0.00 -2.10 0.00 0.00 70.33 69.39 1bsc n THR 100 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1bsc n ASP 101 N -0.43 2.52 -3.45 3.42 5.68 -1.20 -4.56 116.55 118.52 1bsc n ASP 101 Ca 0.00 -2.79 -0.19 0.00 -0.50 0.00 0.00 54.79 51.32 1bsc n ASP 101 Cb 0.26 -0.41 0.07 0.00 -1.14 0.00 0.00 41.12 39.90 1bsc n ASP 101 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1bsc n HIS 102 N -0.52 -2.20 -1.61 2.11 8.25 -0.89 -3.26 115.22 117.11 1bsc n HIS 102 Ca 0.20 0.84 -0.18 0.00 -0.26 0.00 0.00 57.72 58.31 1bsc n HIS 102 Cb 0.90 -4.45 -0.07 0.00 1.12 0.00 0.00 29.99 27.48 1bsc n HIS 102 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1bsc n TYR 103 N -3.86 -0.20 -0.04 4.41 4.02 -1.26 -4.85 117.16 115.37 1bsc n TYR 103 Ca -0.20 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.58 1bsc n TYR 103 Cb 0.65 -3.24 -0.10 0.00 -0.02 0.00 0.00 39.34 36.63 1bsc n TYR 103 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 176.86 177.81 1bsc h GLN 104 N 0.00 -0.03 -6.51 -0.72 4.20 -1.97 -3.46 115.11 106.61 1bsc h GLN 104 Ca -0.38 0.00 -0.65 0.00 0.06 0.00 0.00 58.65 57.68 1bsc h GLN 104 Cb 1.22 0.01 -0.25 0.00 0.30 0.00 0.00 27.48 28.75 1bsc h GLN 104 CO 0.55 0.68 -0.86 0.99 -0.67 0.00 0.00 178.83 179.52 1bsc s THR 105 N -2.58 1.98 0.09 -0.54 2.01 -1.26 -5.10 115.64 110.24 1bsc s THR 105 Ca -0.15 -1.42 0.05 0.00 0.31 0.00 0.00 61.69 60.48 1bsc s THR 105 Cb -0.01 -1.72 -0.03 0.00 0.01 0.00 0.00 72.50 70.74 1bsc s THR 105 CO 0.56 0.22 -0.13 -0.36 -0.69 0.00 0.00 174.62 174.22 1bsc s PHE 106 N -0.89 1.24 -0.07 4.92 0.08 -1.26 -4.36 117.98 117.64 1bsc s PHE 106 Ca 0.10 -0.52 -0.05 0.00 0.12 0.00 0.00 56.93 56.58 1bsc s PHE 106 Cb -0.10 -0.68 0.03 0.00 -0.57 0.00 0.00 43.02 41.70 1bsc s PHE 106 CO 0.03 0.07 0.18 0.99 -0.10 0.00 0.00 175.22 176.39 1bsc s THR 107 N -1.69 -0.02 0.18 0.64 2.01 -0.75 -4.95 115.64 111.05 1bsc s THR 107 Ca 0.02 0.07 -0.31 0.00 0.31 0.00 0.00 61.69 61.79 1bsc s THR 107 Cb -0.07 -0.28 -0.09 0.00 0.01 0.00 0.00 72.50 72.07 1bsc s THR 107 CO 0.02 0.03 1.38 -0.75 -0.69 0.00 0.00 174.62 174.61 1bsc s LYS 108 N 0.59 4.33 0.00 4.92 2.20 -1.26 0.58 119.74 131.10 1bsc s LYS 108 Ca -0.04 2.14 0.00 0.00 -0.36 0.00 0.00 55.97 57.71 1bsc s LYS 108 Cb -0.06 -3.19 0.00 0.00 -1.51 0.00 0.00 37.83 33.07 1bsc s LYS 108 CO -0.03 -0.38 0.00 0.44 -0.36 0.00 0.00 175.35 175.02 1bsc n ILE 109 N 3.12 0.00 -1.40 5.43 -5.35 -0.07 -4.90 119.36 116.19 1bsc n ILE 109 Ca 0.09 -0.04 0.00 0.00 -0.27 0.00 0.00 62.75 62.53 1bsc n ILE 109 Cb 0.42 0.51 0.00 0.00 -1.74 0.00 0.00 39.64 38.83 1bsc n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33