#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bgs s GLN 2 N 0.00 3.12 -0.10 0.00 -0.21 -1.26 -5.05 119.66 116.15 1bgs s GLN 2 Ca 0.00 -0.95 0.04 0.00 0.02 0.00 0.00 55.36 54.46 1bgs s GLN 2 Cb 0.00 -4.14 -0.00 0.00 1.00 0.00 0.00 33.01 29.87 1bgs s GLN 2 CO 0.00 -1.33 -0.23 0.08 -2.12 0.00 0.00 175.29 171.69 1bgs s VAL 3 N 2.77 2.16 -0.19 1.09 1.01 -1.26 -4.42 120.40 121.57 1bgs s VAL 3 Ca 0.15 -0.99 -0.00 0.00 0.00 0.00 0.00 61.98 61.15 1bgs s VAL 3 Cb -0.20 -1.83 0.05 0.00 0.00 0.00 0.00 36.38 34.40 1bgs s VAL 3 CO 0.11 0.56 -0.06 -0.63 0.00 0.00 0.00 175.10 175.08 1bgs s ILE 4 N 0.31 1.28 -0.01 2.22 1.01 -1.26 -5.04 121.20 119.71 1bgs s ILE 4 Ca -0.17 -0.84 0.01 0.00 0.00 0.00 0.00 60.65 59.65 1bgs s ILE 4 Cb -0.18 -1.48 0.02 0.00 0.01 0.00 0.00 42.46 40.83 1bgs s ILE 4 CO 0.08 0.07 0.92 -0.46 0.00 0.00 0.00 174.94 175.55 1bgs n ASN 5 N 4.80 0.18 -4.98 3.58 6.94 -1.26 -4.81 115.26 119.70 1bgs n ASN 5 Ca -0.12 -1.89 -0.20 0.00 -0.02 0.00 0.00 54.58 52.35 1bgs n ASN 5 Cb 0.47 -0.18 -0.00 0.00 -2.36 0.00 0.00 39.78 37.71 1bgs n ASN 5 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1bgs s THR 6 N -0.19 4.25 0.11 5.53 -4.23 -1.26 -1.46 115.64 118.39 1bgs s THR 6 Ca 0.02 -0.91 -0.28 0.00 -1.18 0.00 0.00 61.69 59.33 1bgs s THR 6 Cb 0.02 -3.49 -0.09 0.00 1.34 0.00 0.00 72.50 70.28 1bgs s THR 6 CO 0.00 -0.21 1.62 -0.26 -0.54 0.00 0.00 174.62 175.23 1bgs h PHE 7 N 0.86 -0.83 -0.02 3.99 0.04 -1.98 -0.38 116.94 118.62 1bgs h PHE 7 Ca -0.47 0.02 -0.05 0.00 2.80 0.00 0.00 57.97 60.27 1bgs h PHE 7 Cb 1.25 0.34 -0.01 0.00 2.20 0.00 0.00 35.95 39.74 1bgs h PHE 7 CO 0.43 -0.42 -0.22 -0.44 -0.60 0.00 0.00 178.31 177.07 1bgs h ASP 8 N -0.55 0.03 0.05 2.17 3.32 -1.98 -0.90 116.42 118.56 1bgs h ASP 8 Ca 0.02 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 1bgs h ASP 8 Cb 0.56 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.10 1bgs h ASP 8 CO -0.16 0.25 -0.02 1.23 -1.72 0.00 0.00 179.24 178.82 1bgs h GLY 9 N 0.70 -0.07 1.59 2.75 0.00 -1.84 -1.79 103.07 104.41 1bgs h GLY 9 Ca 0.00 0.03 -0.19 0.00 0.00 0.00 0.00 47.33 47.17 1bgs h GLY 9 CO 0.03 -0.02 -0.76 -2.08 0.00 0.00 0.00 176.54 173.71 1bgs h VAL 10 N -0.46 1.39 -0.69 4.60 2.07 -1.00 -2.53 116.25 119.63 1bgs h VAL 10 Ca -0.01 -2.20 -0.02 0.00 0.82 0.00 0.00 66.70 65.30 1bgs h VAL 10 Cb 0.42 2.16 -0.03 0.00 -1.52 0.00 0.00 31.29 32.32 1bgs h VAL 10 CO 0.01 0.66 0.36 0.00 0.02 0.00 0.00 177.57 178.62 1bgs h ALA 11 N 0.92 0.89 -0.19 1.67 0.00 -1.12 -0.32 119.26 121.11 1bgs h ALA 11 Ca -0.04 -0.13 -0.18 0.00 0.00 0.00 0.00 54.91 54.57 1bgs h ALA 11 Cb 1.34 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1bgs h ALA 11 CO 0.13 0.42 -0.60 -0.44 0.00 0.00 0.00 179.25 178.76 1bgs h ASP 12 N 0.95 0.72 -0.15 0.00 3.32 -1.34 -1.57 116.42 118.36 1bgs h ASP 12 Ca 0.24 -0.41 -0.02 0.00 0.02 0.00 0.00 57.03 56.86 1bgs h ASP 12 Cb 0.08 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 1bgs h ASP 12 CO -0.03 1.16 0.02 0.22 -1.72 0.00 0.00 179.24 178.88 1bgs h TYR 13 N 0.48 0.27 -0.62 4.55 3.20 -1.13 -0.90 116.97 122.81 1bgs h TYR 13 Ca -0.00 -0.04 0.05 0.00 3.14 0.00 0.00 58.73 61.87 1bgs h TYR 13 Cb 1.18 -0.07 -0.05 0.00 1.54 0.00 0.00 36.73 39.33 1bgs h TYR 13 CO 0.06 0.44 0.35 -0.07 -1.64 0.00 0.00 178.16 177.29 1bgs h LEU 14 N 0.02 0.54 -0.91 2.82 3.38 -0.97 -0.26 115.31 119.93 1bgs h LEU 14 Ca 0.04 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 1bgs h LEU 14 Cb 0.32 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1bgs h LEU 14 CO 0.00 0.36 0.25 1.56 0.09 0.00 0.00 178.44 180.71 1bgs h GLN 15 N 0.67 1.05 0.00 1.13 4.20 -1.14 -0.93 115.11 120.09 1bgs h GLN 15 Ca 0.27 -0.20 -0.04 0.00 0.06 0.00 0.00 58.65 58.75 1bgs h GLN 15 Cb 0.12 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 1bgs h GLN 15 CO -0.15 0.87 -0.20 1.15 -0.67 0.00 0.00 178.83 179.83 1bgs h THR 16 N 1.02 1.40 -0.02 -0.54 2.02 -0.60 -3.40 112.91 112.79 1bgs h THR 16 Ca 0.23 -2.12 0.00 0.00 0.77 0.00 0.00 66.41 65.29 1bgs h THR 16 Cb 0.24 2.72 0.00 0.00 -1.74 0.00 0.00 68.15 69.36 1bgs h THR 16 CO -0.02 0.47 -0.14 -1.22 0.37 0.00 0.00 175.52 174.99 1bgs n TYR 17 N -4.60 0.00 -4.05 3.16 4.01 -0.16 -5.02 117.16 110.49 1bgs n TYR 17 Ca -0.12 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.33 1bgs n TYR 17 Cb 0.45 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.45 1bgs n TYR 17 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1bgs n HIS 18 N 0.71 -1.67 -3.56 -0.72 8.25 -0.35 -4.91 115.22 112.97 1bgs n HIS 18 Ca 0.10 0.76 -0.12 0.00 -0.26 0.00 0.00 57.72 58.20 1bgs n HIS 18 Cb 0.46 -3.46 -0.05 0.00 1.12 0.00 0.00 29.99 28.06 1bgs n HIS 18 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 1bgs s LYS 19 N -6.72 0.73 0.43 -0.41 2.20 -1.26 -5.05 119.74 109.65 1bgs s LYS 19 Ca 0.24 0.14 -0.21 0.00 -0.36 0.00 0.00 55.97 55.78 1bgs s LYS 19 Cb -0.13 0.34 -0.11 0.00 -1.51 0.00 0.00 37.83 36.43 1bgs s LYS 19 CO 0.91 -0.23 0.96 -0.51 -0.36 0.00 0.00 175.35 176.11 1bgs s LEU 20 N -1.22 3.96 0.56 5.43 1.43 -1.26 -3.69 118.68 123.90 1bgs s LEU 20 Ca -0.04 1.73 -0.18 0.00 -1.03 0.00 0.00 54.13 54.61 1bgs s LEU 20 Cb -0.00 -4.50 -0.08 0.00 0.03 0.00 0.00 46.19 41.64 1bgs s LEU 20 CO 0.03 -0.39 0.58 -2.65 0.23 0.00 0.00 176.35 174.15 1bgs n PRO 21 N -0.57 0.57 0.00 1.29 -0.02 -1.26 -4.89 135.00 130.11 1bgs n PRO 21 Ca 0.07 0.22 0.06 0.00 -2.02 0.00 0.00 63.50 61.83 1bgs n PRO 21 Cb 0.53 -1.75 0.31 0.00 -0.02 0.00 0.00 33.50 32.58 1bgs n PRO 21 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1bgs n ASP 22 N 0.40 0.00 -0.85 2.55 9.92 -1.26 -2.37 116.55 124.93 1bgs n ASP 22 Ca 0.12 0.27 0.03 0.00 -0.53 0.00 0.00 54.79 54.68 1bgs n ASP 22 Cb 0.47 -0.38 0.14 0.00 -0.64 0.00 0.00 41.12 40.70 1bgs n ASP 22 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 1bgs n ASN 23 N -1.38 2.32 -4.37 -2.24 6.94 -1.26 -4.82 115.26 110.44 1bgs n ASN 23 Ca 0.05 -2.24 -0.34 0.00 -0.02 0.00 0.00 54.58 52.03 1bgs n ASN 23 Cb 0.13 -0.46 -0.14 0.00 -2.36 0.00 0.00 39.78 36.95 1bgs n ASN 23 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1bgs s TYR 24 N -1.63 2.91 0.21 -2.53 2.02 -1.00 -0.21 117.35 117.13 1bgs s TYR 24 Ca 0.19 -0.68 0.11 0.00 -0.37 0.00 0.00 57.07 56.31 1bgs s TYR 24 Cb 0.13 -1.97 -0.05 0.00 -0.40 0.00 0.00 41.96 39.68 1bgs s TYR 24 CO 0.07 -0.30 -0.20 0.96 -1.57 0.00 0.00 175.55 174.51 1bgs s ILE 25 N 0.78 2.55 0.81 2.71 -4.36 0.27 -4.84 121.20 119.13 1bgs s ILE 25 Ca -0.03 -2.05 -0.12 0.00 -0.26 0.00 0.00 60.65 58.19 1bgs s ILE 25 Cb -0.15 -2.26 0.08 0.00 1.25 0.00 0.00 42.46 41.37 1bgs s ILE 25 CO 0.01 -0.19 1.10 0.42 0.24 0.00 0.00 174.94 176.53 1bgs s THR 26 N -1.89 2.97 0.32 8.37 -4.23 -1.19 -1.30 115.64 118.69 1bgs s THR 26 Ca 0.24 0.31 0.04 0.00 -1.18 0.00 0.00 61.69 61.10 1bgs s THR 26 Cb -0.07 -3.05 0.30 0.00 1.34 0.00 0.00 72.50 71.01 1bgs s THR 26 CO 0.12 -0.41 1.89 0.11 -0.54 0.00 0.00 174.62 175.79 1bgs h LYS 27 N -1.13 0.85 0.06 3.99 1.57 -1.96 -0.83 116.57 119.12 1bgs h LYS 27 Ca -0.47 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.25 1bgs h LYS 27 Cb 1.27 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 33.39 1bgs h LYS 27 CO 0.59 0.56 -0.03 0.77 -0.57 0.00 0.00 179.45 180.78 1bgs h SER 28 N 0.88 -0.07 -0.62 0.86 0.02 -1.98 0.25 113.55 112.87 1bgs h SER 28 Ca 0.42 -0.28 -0.02 0.00 -0.84 0.00 0.00 61.79 61.08 1bgs h SER 28 Cb 0.44 0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.97 1bgs h SER 28 CO -0.19 0.24 0.33 -0.33 -1.14 0.00 0.00 176.83 175.75 1bgs h GLU 29 N -0.39 0.90 -0.11 3.45 5.08 -1.75 -0.89 114.58 120.87 1bgs h GLU 29 Ca -0.01 -0.11 -0.16 0.00 -1.00 0.00 0.00 59.36 58.08 1bgs h GLU 29 Cb 0.34 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1bgs h GLU 29 CO 0.01 0.68 -0.63 0.00 -1.00 0.00 0.00 179.01 178.08 1bgs h ALA 30 N 1.46 0.71 -0.34 3.43 0.00 -0.86 -2.97 119.26 120.69 1bgs h ALA 30 Ca 0.23 -0.55 -0.06 0.00 0.00 0.00 0.00 54.91 54.52 1bgs h ALA 30 Cb 0.06 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1bgs h ALA 30 CO -0.03 0.73 -0.02 0.37 0.00 0.00 0.00 179.25 180.29 1bgs h GLN 31 N 0.29 0.60 -0.70 0.00 4.15 0.41 -1.52 115.11 118.35 1bgs h GLN 31 Ca -0.01 -0.20 0.13 0.00 0.77 0.00 0.00 58.65 59.34 1bgs h GLN 31 Cb 1.17 -0.05 -0.04 0.00 0.21 0.00 0.00 27.48 28.77 1bgs h GLN 31 CO 0.11 0.74 0.47 0.00 -1.93 0.00 0.00 178.83 178.22 1bgs h ALA 32 N 0.84 2.09 0.00 3.38 0.00 -1.09 -0.22 119.26 124.26 1bgs h ALA 32 Ca 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1bgs h ALA 32 Cb 0.48 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1bgs h ALA 32 CO 0.02 -0.27 -0.15 1.28 0.00 0.00 0.00 179.25 180.13 1bgs n LEU 33 N -4.47 0.41 0.00 0.00 4.77 -1.03 -4.91 117.00 111.77 1bgs n LEU 33 Ca 0.13 0.41 0.00 0.00 -0.03 0.00 0.00 56.01 56.52 1bgs n LEU 33 Cb 0.48 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1bgs n LEU 33 CO 0.33 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.96 1bgs n GLY 34 N 1.42 0.49 3.65 -0.72 0.00 -0.10 -4.87 105.19 105.07 1bgs n GLY 34 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 1bgs n GLY 34 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1bgs s TRP 35 N -1.46 2.27 -0.20 1.61 -0.00 -0.60 -4.96 118.94 115.60 1bgs s TRP 35 Ca 0.00 0.53 0.01 0.00 -0.00 0.00 0.00 56.10 56.63 1bgs s TRP 35 Cb 0.00 -3.81 0.04 0.00 -0.00 0.00 0.00 33.47 29.70 1bgs s TRP 35 CO 0.00 -2.97 -0.09 0.54 -0.00 0.00 0.00 176.95 174.43 1bgs s VAL 36 N 4.16 1.60 0.33 5.86 0.11 -1.26 -4.35 120.40 126.84 1bgs s VAL 36 Ca 0.67 -1.02 0.10 0.00 -2.93 0.00 0.00 61.98 58.80 1bgs s VAL 36 Cb -0.28 -1.70 0.32 0.00 -1.53 0.00 0.00 36.38 33.19 1bgs s VAL 36 CO 0.25 0.13 1.76 0.00 -3.33 0.00 0.00 175.10 173.91 1bgs h ALA 37 N 7.98 1.82 0.00 1.54 0.00 -1.99 -2.20 119.26 126.41 1bgs h ALA 37 Ca -0.26 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1bgs h ALA 37 Cb 1.09 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1bgs h ALA 37 CO 0.46 -0.23 0.00 0.66 0.00 0.00 0.00 179.25 180.14 1bgs h SER 38 N 0.63 0.00 1.43 0.00 4.64 -2.02 -2.59 113.55 115.64 1bgs h SER 38 Ca 0.60 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.86 1bgs h SER 38 Cb 1.11 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.19 1bgs h SER 38 CO -0.39 0.00 -0.59 0.11 -0.87 0.00 0.00 176.83 175.09 1bgs h LYS 39 N 0.00 0.00 -3.66 4.77 1.57 -1.84 -3.48 116.57 113.93 1bgs h LYS 39 Ca 0.00 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.59 1bgs h LYS 39 Cb 0.48 0.00 0.08 0.00 0.08 0.00 0.00 32.23 32.87 1bgs h LYS 39 CO 0.00 0.22 -0.37 0.41 -0.57 0.00 0.00 179.45 179.14 1bgs n GLY 40 N 1.21 0.12 1.57 3.86 0.00 -0.98 -4.95 105.19 106.02 1bgs n GLY 40 Ca 0.00 -0.19 -0.13 0.00 0.00 0.00 0.00 46.02 45.70 1bgs n GLY 40 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1bgs n ASN 41 N -1.36 3.51 -0.16 1.61 2.04 -1.26 -3.80 115.26 115.84 1bgs n ASN 41 Ca -0.06 -3.76 -0.08 0.00 -0.44 0.00 0.00 54.58 50.24 1bgs n ASN 41 Cb 0.55 -0.68 0.01 0.00 -2.53 0.00 0.00 39.78 37.14 1bgs n ASN 41 CO 0.00 0.00 0.00 0.25 -0.44 0.00 0.00 177.26 177.07 1bgs h LEU 42 N 1.24 0.58 -2.24 -4.53 6.46 -1.91 -2.89 115.31 112.02 1bgs h LEU 42 Ca 0.35 -0.06 -0.01 0.00 -0.12 0.00 0.00 57.88 58.04 1bgs h LEU 42 Cb 1.76 -0.15 -0.00 0.00 -0.73 0.00 0.00 40.66 41.54 1bgs h LEU 42 CO 0.68 0.47 -0.02 0.00 -0.62 0.00 0.00 178.44 178.95 1bgs h ALA 43 N 1.13 1.64 0.01 1.25 0.00 -1.84 0.14 119.26 121.60 1bgs h ALA 43 Ca 0.17 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.85 1bgs h ALA 43 Cb 0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1bgs h ALA 43 CO -0.03 0.03 -0.92 -0.44 0.00 0.00 0.00 179.25 177.89 1bgs h ASP 44 N 0.00 0.27 0.00 0.00 5.19 -1.88 -2.92 116.42 117.08 1bgs h ASP 44 Ca -0.00 -0.23 0.00 0.00 -0.62 0.00 0.00 57.03 56.18 1bgs h ASP 44 Cb 0.05 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 39.48 1bgs h ASP 44 CO 0.00 1.05 -1.48 1.33 -3.12 0.00 0.00 179.24 177.02 1bgs n VAL 45 N -3.64 0.00 -2.88 -1.35 0.24 -0.95 -4.71 118.33 105.05 1bgs n VAL 45 Ca -0.04 -0.25 -0.13 0.00 -2.04 0.00 0.00 64.34 61.88 1bgs n VAL 45 Cb 0.83 0.50 0.02 0.00 -1.47 0.00 0.00 33.84 33.72 1bgs n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1bgs n ALA 46 N -1.87 -0.23 -1.81 2.33 0.00 0.46 -4.90 120.51 114.50 1bgs n ALA 46 Ca -0.00 -2.01 -0.42 0.00 0.00 0.00 0.00 53.44 51.01 1bgs n ALA 46 Cb 0.44 -1.17 -0.02 0.00 0.00 0.00 0.00 19.45 18.70 1bgs n ALA 46 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1bgs s PRO 47 N 0.08 4.17 0.00 0.00 0.04 -1.10 -1.87 135.00 136.33 1bgs s PRO 47 Ca 0.33 2.48 0.00 0.00 0.04 0.00 0.00 61.00 63.85 1bgs s PRO 47 Cb 0.22 -3.06 0.00 0.00 0.04 0.00 0.00 34.50 31.70 1bgs s PRO 47 CO -0.20 -0.57 0.00 0.41 0.04 0.00 0.00 177.00 176.68 1bgs n GLY 48 N 2.39 1.52 3.93 0.56 0.00 -1.26 -5.03 105.19 107.30 1bgs n GLY 48 Ca 0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.83 1bgs n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bgs s LYS 49 N -0.39 3.54 0.21 1.61 -0.14 -0.78 -4.83 119.74 118.96 1bgs s LYS 49 Ca 0.00 -0.29 0.07 0.00 -1.36 0.00 0.00 55.97 54.39 1bgs s LYS 49 Cb 0.00 -2.79 -0.05 0.00 -1.68 0.00 0.00 37.83 33.31 1bgs s LYS 49 CO 0.00 0.35 -0.11 -1.12 -0.76 0.00 0.00 175.35 173.71 1bgs s SER 50 N -3.24 2.48 -0.08 2.83 0.01 0.71 -4.86 113.70 111.54 1bgs s SER 50 Ca 0.39 -1.06 -0.30 0.00 1.31 0.00 0.00 55.95 56.29 1bgs s SER 50 Cb -0.11 -0.12 -0.02 0.00 0.21 0.00 0.00 66.02 65.99 1bgs s SER 50 CO 0.30 -0.24 1.02 -0.63 0.41 0.00 0.00 173.24 174.10 1bgs s ILE 51 N -3.05 4.74 -0.19 1.44 -1.09 -1.26 -0.57 121.20 121.24 1bgs s ILE 51 Ca 0.24 2.00 -0.31 0.00 -2.23 0.00 0.00 60.65 60.34 1bgs s ILE 51 Cb 0.01 -4.29 0.14 0.00 -1.58 0.00 0.00 42.46 36.75 1bgs s ILE 51 CO 0.07 0.03 1.14 -0.83 -1.23 0.00 0.00 174.94 174.13 1bgs s GLY 52 N 1.11 -0.20 0.00 6.18 0.00 -0.42 -0.47 107.32 113.52 1bgs s GLY 52 Ca 0.50 2.00 0.00 0.00 0.00 0.00 0.00 44.72 47.22 1bgs s GLY 52 CO 0.20 0.83 0.00 0.61 0.00 0.00 0.00 173.10 174.74 1bgs n GLY 53 N 0.33 1.94 3.78 0.20 0.00 -0.09 -3.16 105.19 108.18 1bgs n GLY 53 Ca -0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 1bgs n GLY 53 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1bgs s ASP 54 N -1.70 6.36 0.34 1.61 1.01 -1.24 -4.73 116.67 118.32 1bgs s ASP 54 Ca 0.00 2.18 -0.29 0.00 0.71 0.00 0.00 52.55 55.15 1bgs s ASP 54 Cb 0.00 -2.59 -0.11 0.00 1.01 0.00 0.00 42.92 41.23 1bgs s ASP 54 CO 0.00 -0.78 1.49 -0.63 0.21 0.00 0.00 175.17 175.46 1bgs s ILE 55 N -1.63 2.16 -0.20 0.77 1.09 -1.26 -1.35 121.20 120.77 1bgs s ILE 55 Ca 0.62 0.15 -0.05 0.00 -1.10 0.00 0.00 60.65 60.27 1bgs s ILE 55 Cb -0.25 -3.10 -0.03 0.00 -1.06 0.00 0.00 42.46 38.03 1bgs s ILE 55 CO 0.31 0.03 0.01 0.12 -0.10 0.00 0.00 174.94 175.30 1bgs s PHE 56 N -0.78 3.06 -0.86 3.97 5.36 0.21 -4.76 117.98 124.18 1bgs s PHE 56 Ca 0.55 -0.39 0.25 0.00 -0.96 0.00 0.00 56.93 56.38 1bgs s PHE 56 Cb -0.46 -2.08 0.56 0.00 -0.34 0.00 0.00 43.02 40.70 1bgs s PHE 56 CO 0.57 -0.19 1.46 0.43 -1.46 0.00 0.00 175.22 176.03 1bgs n SER 57 N 4.15 0.51 -3.53 6.13 7.64 -1.26 -4.09 113.62 123.17 1bgs n SER 57 Ca -0.17 0.01 -0.23 0.00 1.01 0.00 0.00 58.87 59.49 1bgs n SER 57 Cb 0.52 0.08 0.05 0.00 -1.01 0.00 0.00 64.21 63.86 1bgs n SER 57 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1bgs n ASN 58 N -1.74 -4.58 0.25 6.43 5.15 -1.26 -4.88 115.26 114.63 1bgs n ASN 58 Ca 0.05 -0.85 0.10 0.00 -0.60 0.00 0.00 54.58 53.28 1bgs n ASN 58 Cb 0.38 -4.26 0.65 0.00 -0.53 0.00 0.00 39.78 36.02 1bgs n ASN 58 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1bgs h ARG 59 N -1.61 0.00 -0.62 1.20 3.08 -2.00 -0.24 114.38 114.19 1bgs h ARG 59 Ca -0.63 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.42 1bgs h ARG 59 Cb 1.34 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.39 1bgs h ARG 59 CO 0.49 0.13 0.00 0.39 -1.07 0.00 0.00 179.97 179.91 1bgs n GLU 60 N -3.98 2.95 -2.84 0.04 -0.58 -1.26 -4.94 120.64 110.02 1bgs n GLU 60 Ca -0.02 -2.57 -0.18 0.00 -0.42 0.00 0.00 57.16 53.97 1bgs n GLU 60 Cb 0.22 -1.56 0.00 0.00 -0.57 0.00 0.00 31.44 29.53 1bgs n GLU 60 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1bgs n GLY 61 N 1.24 -0.50 0.23 0.62 0.00 -0.10 -4.86 105.19 101.82 1bgs n GLY 61 Ca 0.22 0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.41 1bgs n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bgs h LYS 62 N -0.54 0.00 -6.08 1.61 1.57 -1.92 -3.45 116.57 107.76 1bgs h LYS 62 Ca -0.38 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 57.73 1bgs h LYS 62 Cb 1.27 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 33.44 1bgs h LYS 62 CO 0.45 0.08 -0.63 -0.51 -0.57 0.00 0.00 179.45 178.27 1bgs s LEU 63 N -6.30 3.57 -0.57 2.94 1.43 -1.26 -5.01 118.68 113.49 1bgs s LEU 63 Ca 0.04 0.06 -0.32 0.00 -1.03 0.00 0.00 54.13 52.88 1bgs s LEU 63 Cb 0.07 -1.98 -0.13 0.00 0.03 0.00 0.00 46.19 44.18 1bgs s LEU 63 CO 0.64 0.31 2.39 -0.81 0.23 0.00 0.00 176.35 179.11 1bgs n PRO 64 N 1.62 0.74 -3.09 1.29 -0.04 -1.26 -4.95 135.00 129.31 1bgs n PRO 64 Ca -0.16 0.12 -0.31 0.00 -0.04 0.00 0.00 63.50 63.11 1bgs n PRO 64 Cb 0.53 -2.46 -0.04 0.00 -0.04 0.00 0.00 33.50 31.49 1bgs n PRO 64 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1bgs s GLY 65 N 9.15 2.09 -0.01 0.55 0.00 -1.26 -5.08 107.32 112.77 1bgs s GLY 65 Ca 1.14 -0.19 -0.28 0.00 0.00 0.00 0.00 44.72 45.38 1bgs s GLY 65 CO 0.43 -0.02 0.78 1.25 0.00 0.00 0.00 173.10 175.54 1bgs s LYS 66 N -3.41 0.95 0.21 2.90 2.20 -1.26 -5.09 119.74 116.24 1bgs s LYS 66 Ca 0.50 -0.09 -0.30 0.00 -0.36 0.00 0.00 55.97 55.72 1bgs s LYS 66 Cb -0.10 0.44 -0.09 0.00 -1.51 0.00 0.00 37.83 36.57 1bgs s LYS 66 CO 0.26 -0.36 1.35 -1.54 -0.36 0.00 0.00 175.35 174.69 1bgs s SER 67 N -1.90 6.82 0.00 1.43 1.04 -1.26 -2.79 113.70 117.05 1bgs s SER 67 Ca -0.02 2.48 0.00 0.00 0.48 0.00 0.00 55.95 58.89 1bgs s SER 67 Cb -0.01 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.50 1bgs s SER 67 CO -0.02 -0.58 0.00 0.61 0.98 0.00 0.00 173.24 174.23 1bgs n GLY 68 N 2.33 3.24 3.58 7.32 0.00 -1.26 -5.01 105.19 115.39 1bgs n GLY 68 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 1bgs n GLY 68 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1bgs s ARG 69 N -0.55 3.71 0.29 1.61 3.52 -1.12 -4.94 118.95 121.48 1bgs s ARG 69 Ca 0.00 0.21 -0.12 0.00 -0.13 0.00 0.00 55.73 55.69 1bgs s ARG 69 Cb 0.00 -3.82 -0.08 0.00 -1.56 0.00 0.00 34.95 29.50 1bgs s ARG 69 CO 0.00 -0.83 0.64 0.99 -0.81 0.00 0.00 175.30 175.30 1bgs s THR 70 N 2.98 4.82 0.13 4.11 2.01 -1.26 -4.71 115.64 123.73 1bgs s THR 70 Ca 0.29 0.65 0.09 0.00 0.31 0.00 0.00 61.69 63.03 1bgs s THR 70 Cb -0.14 -3.63 -0.04 0.00 0.01 0.00 0.00 72.50 68.70 1bgs s THR 70 CO 0.16 -0.17 -0.15 0.26 -0.69 0.00 0.00 174.62 174.03 1bgs s TRP 71 N -1.95 2.58 0.15 4.92 0.52 -1.26 -1.34 118.94 122.56 1bgs s TRP 71 Ca 0.50 -0.24 -0.02 0.00 0.02 0.00 0.00 56.10 56.37 1bgs s TRP 71 Cb -0.11 -1.34 -0.04 0.00 -1.15 0.00 0.00 33.47 30.84 1bgs s TRP 71 CO 0.21 0.42 0.09 1.03 0.02 0.00 0.00 176.95 178.72 1bgs s ARG 72 N -2.31 1.00 0.14 4.98 0.52 -0.23 -0.62 118.95 122.43 1bgs s ARG 72 Ca 0.20 -1.46 -0.01 0.00 -0.52 0.00 0.00 55.73 53.94 1bgs s ARG 72 Cb -0.10 0.26 -0.04 0.00 0.52 0.00 0.00 34.95 35.59 1bgs s ARG 72 CO 0.12 -0.30 0.06 -1.83 0.02 0.00 0.00 175.30 173.37 1bgs s GLU 73 N -4.07 0.98 -0.11 3.54 -1.05 -0.46 -1.36 118.70 116.17 1bgs s GLU 73 Ca 0.27 -1.48 -0.25 0.00 -0.15 0.00 0.00 54.97 53.36 1bgs s GLU 73 Cb 0.07 0.21 0.06 0.00 -0.44 0.00 0.00 34.13 34.03 1bgs s GLU 73 CO 0.04 -0.27 0.60 0.00 0.95 0.00 0.00 175.26 176.58 1bgs s ALA 74 N -4.04 -1.53 0.27 -0.84 0.00 0.14 -0.92 121.76 114.84 1bgs s ALA 74 Ca 0.26 1.31 -0.30 0.00 0.00 0.00 0.00 51.96 53.23 1bgs s ALA 74 Cb 0.07 -0.33 -0.10 0.00 0.00 0.00 0.00 23.12 22.76 1bgs s ALA 74 CO 0.03 -0.33 1.42 -0.51 0.00 0.00 0.00 175.76 176.37 1bgs s ASP 75 N -0.70 6.66 0.05 0.00 1.11 0.38 -1.05 116.67 123.12 1bgs s ASP 75 Ca -0.08 2.69 0.08 0.00 0.18 0.00 0.00 52.55 55.42 1bgs s ASP 75 Cb -0.02 -2.63 -0.03 0.00 1.07 0.00 0.00 42.92 41.30 1bgs s ASP 75 CO 0.06 -0.68 -0.20 -0.63 1.18 0.00 0.00 175.17 174.90 1bgs s ILE 76 N -0.28 2.63 -0.50 0.77 -1.09 -0.97 -4.73 121.20 117.03 1bgs s ILE 76 Ca 0.57 -1.26 0.00 0.00 -2.23 0.00 0.00 60.65 57.73 1bgs s ILE 76 Cb -0.42 -2.09 0.00 0.00 -1.58 0.00 0.00 42.46 38.37 1bgs s ILE 76 CO 0.46 0.33 0.00 0.59 -1.23 0.00 0.00 174.94 175.09 1bgs n ASN 77 N 1.55 -4.47 -4.79 3.58 3.02 -0.53 -4.56 115.26 109.06 1bgs n ASN 77 Ca -0.16 0.12 -0.39 0.00 -0.03 0.00 0.00 54.58 54.11 1bgs n ASN 77 Cb 0.52 -2.39 -0.06 0.00 -0.61 0.00 0.00 39.78 37.24 1bgs n ASN 77 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1bgs s TYR 78 N -1.87 3.78 0.14 3.10 5.04 -1.26 -4.96 117.35 121.32 1bgs s TYR 78 Ca 0.00 1.30 0.00 0.00 -2.44 0.00 0.00 57.07 55.93 1bgs s TYR 78 Cb 0.00 -2.58 0.00 0.00 0.35 0.00 0.00 41.96 39.73 1bgs s TYR 78 CO 0.00 0.50 0.00 2.41 -1.34 0.00 0.00 175.55 177.12 1bgs n THR 79 N 2.05 0.87 -3.79 4.34 -1.04 -1.26 -4.92 114.28 110.52 1bgs n THR 79 Ca -0.08 0.29 -0.09 0.00 -2.04 0.00 0.00 64.05 62.12 1bgs n THR 79 Cb 0.51 -1.30 -0.06 0.00 -1.82 0.00 0.00 70.33 67.65 1bgs n THR 79 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1bgs s SER 80 N -5.70 -0.03 0.15 8.00 0.01 -1.26 -4.74 113.70 110.13 1bgs s SER 80 Ca 0.00 -0.55 0.00 0.00 1.31 0.00 0.00 55.95 56.71 1bgs s SER 80 Cb 0.00 0.41 0.00 0.00 0.21 0.00 0.00 66.02 66.64 1bgs s SER 80 CO 0.00 -0.81 0.00 0.61 0.41 0.00 0.00 173.24 173.45 1bgs n GLY 81 N -0.15 0.02 3.77 3.44 0.00 -1.25 -4.87 105.19 106.16 1bgs n GLY 81 Ca -0.14 -1.00 -0.39 0.00 0.00 0.00 0.00 46.02 44.49 1bgs n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bgs s PHE 82 N 0.00 3.20 0.85 1.61 0.08 -1.26 -4.52 117.98 117.95 1bgs s PHE 82 Ca 0.00 1.55 -0.11 0.00 0.12 0.00 0.00 56.93 58.50 1bgs s PHE 82 Cb 0.00 -3.45 0.11 0.00 -0.57 0.00 0.00 43.02 39.11 1bgs s PHE 82 CO 0.00 -1.26 1.10 1.03 -0.10 0.00 0.00 175.22 175.99 1bgs s ARG 83 N -1.92 1.58 0.00 0.44 0.52 -1.26 -5.05 118.95 113.26 1bgs s ARG 83 Ca 0.51 1.14 0.00 0.00 -0.52 0.00 0.00 55.73 56.86 1bgs s ARG 83 Cb -0.34 -1.82 0.00 0.00 0.52 0.00 0.00 34.95 33.31 1bgs s ARG 83 CO 0.43 -2.11 0.00 0.27 0.02 0.00 0.00 175.30 173.91 1bgs n ASN 84 N -3.84 1.51 -1.33 0.23 0.23 -1.26 -5.05 115.26 105.75 1bgs n ASN 84 Ca 0.09 -0.14 0.08 0.00 -0.53 0.00 0.00 54.58 54.07 1bgs n ASN 84 Cb 0.53 0.00 0.32 0.00 -2.08 0.00 0.00 39.78 38.56 1bgs n ASN 84 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1bgs n SER 85 N -0.21 4.65 -4.46 0.53 3.41 -1.26 -4.96 113.62 111.32 1bgs n SER 85 Ca 0.00 -2.90 -0.33 0.00 -0.26 0.00 0.00 58.87 55.38 1bgs n SER 85 Cb 0.00 -0.59 -0.13 0.00 -0.26 0.00 0.00 64.21 63.23 1bgs n SER 85 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1bgs s ASP 86 N -1.37 4.36 0.02 4.04 1.01 -1.26 -2.96 116.67 120.51 1bgs s ASP 86 Ca 0.47 -0.20 0.00 0.00 0.71 0.00 0.00 52.55 53.54 1bgs s ASP 86 Cb 0.36 -1.50 -0.02 0.00 1.01 0.00 0.00 42.92 42.78 1bgs s ASP 86 CO 0.13 0.22 -0.03 -0.13 0.21 0.00 0.00 175.17 175.57 1bgs s ARG 87 N 0.02 0.30 0.04 8.23 3.00 -0.35 -2.28 118.95 127.91 1bgs s ARG 87 Ca -0.02 -0.54 0.04 0.00 0.00 0.00 0.00 55.73 55.21 1bgs s ARG 87 Cb -0.14 0.04 -0.04 0.00 0.00 0.00 0.00 34.95 34.81 1bgs s ARG 87 CO 0.04 -0.03 -0.03 -1.50 0.00 0.00 0.00 175.30 173.78 1bgs s ILE 88 N -1.23 3.87 -0.08 1.52 2.07 -0.21 -1.26 121.20 125.88 1bgs s ILE 88 Ca -0.13 -0.85 0.01 0.00 -1.41 0.00 0.00 60.65 58.27 1bgs s ILE 88 Cb -0.09 -2.76 0.02 0.00 0.13 0.00 0.00 42.46 39.76 1bgs s ILE 88 CO -0.01 0.27 -0.08 -0.76 -1.91 0.00 0.00 174.94 172.45 1bgs s LEU 89 N -1.83 1.35 0.02 8.50 2.01 -0.57 -0.68 118.68 127.47 1bgs s LEU 89 Ca 0.21 -0.24 0.04 0.00 0.01 0.00 0.00 54.13 54.15 1bgs s LEU 89 Cb -0.11 -0.71 -0.02 0.00 0.01 0.00 0.00 46.19 45.36 1bgs s LEU 89 CO 0.12 -0.05 -0.13 -0.72 1.01 0.00 0.00 176.35 176.58 1bgs s TYR 90 N 1.15 1.15 0.43 0.29 1.13 -0.47 -1.17 117.35 119.86 1bgs s TYR 90 Ca -0.06 -0.29 0.08 0.00 -1.41 0.00 0.00 57.07 55.39 1bgs s TYR 90 Cb -0.14 -0.71 0.01 0.00 -1.10 0.00 0.00 41.96 40.02 1bgs s TYR 90 CO -0.01 0.01 0.57 -1.54 -2.51 0.00 0.00 175.55 172.06 1bgs s SER 91 N -0.73 5.59 0.54 -0.18 1.04 -0.39 -1.07 113.70 118.50 1bgs s SER 91 Ca 0.03 -0.47 0.28 0.00 0.48 0.00 0.00 55.95 56.27 1bgs s SER 91 Cb -0.06 -0.60 1.55 0.00 0.10 0.00 0.00 66.02 67.01 1bgs s SER 91 CO 0.00 -0.79 2.12 0.77 0.98 0.00 0.00 173.24 176.33 1bgs h SER 92 N 0.63 0.00 -0.62 7.02 4.64 -1.57 -1.98 113.55 121.68 1bgs h SER 92 Ca -0.39 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 60.67 1bgs h SER 92 Cb 1.28 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.22 1bgs h SER 92 CO 0.45 0.09 0.23 -0.90 -0.87 0.00 0.00 176.83 175.83 1bgs n ASP 93 N -3.72 3.66 -3.69 4.97 5.75 -1.26 -4.95 116.55 117.32 1bgs n ASP 93 Ca -0.02 -3.48 -0.25 0.00 -0.01 0.00 0.00 54.79 51.03 1bgs n ASP 93 Cb 0.19 -0.71 0.06 0.00 -1.03 0.00 0.00 41.12 39.63 1bgs n ASP 93 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1bgs n TRP 94 N -0.78 -2.47 -2.90 2.11 7.02 -0.74 -5.03 117.44 114.65 1bgs n TRP 94 Ca 0.41 0.95 -0.38 0.00 -1.02 0.00 0.00 57.50 57.46 1bgs n TRP 94 Cb 1.29 -4.63 -0.06 0.00 -2.42 0.00 0.00 31.31 25.49 1bgs n TRP 94 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1bgs s LEU 95 N -7.08 4.47 -0.03 -0.99 1.02 -1.26 -4.81 118.68 110.00 1bgs s LEU 95 Ca 0.44 1.72 0.04 0.00 0.02 0.00 0.00 54.13 56.35 1bgs s LEU 95 Cb -0.21 -3.65 -0.00 0.00 0.02 0.00 0.00 46.19 42.34 1bgs s LEU 95 CO 0.77 0.07 -0.15 -0.63 0.02 0.00 0.00 176.35 176.44 1bgs s ILE 96 N -1.39 1.21 0.17 -0.59 1.01 -1.26 -1.26 121.20 119.10 1bgs s ILE 96 Ca 0.43 -0.61 0.00 0.00 0.00 0.00 0.00 60.65 60.48 1bgs s ILE 96 Cb -0.21 -1.04 -0.04 0.00 0.01 0.00 0.00 42.46 41.18 1bgs s ILE 96 CO 0.25 0.35 0.06 -0.31 0.00 0.00 0.00 174.94 175.30 1bgs s TYR 97 N 0.01 1.12 0.06 3.97 1.51 -0.32 -1.80 117.35 121.89 1bgs s TYR 97 Ca -0.02 -1.19 -0.06 0.00 -1.01 0.00 0.00 57.07 54.80 1bgs s TYR 97 Cb -0.10 -0.62 -0.01 0.00 -0.11 0.00 0.00 41.96 41.12 1bgs s TYR 97 CO 0.01 -0.42 0.11 -1.59 -1.11 0.00 0.00 175.55 172.55 1bgs s LYS 98 N -4.02 0.68 0.00 -0.62 -2.85 0.84 -1.51 119.74 112.26 1bgs s LYS 98 Ca 0.29 -0.89 0.00 0.00 -1.00 0.00 0.00 55.97 54.37 1bgs s LYS 98 Cb 0.07 0.27 -0.00 0.00 -2.06 0.00 0.00 37.83 36.10 1bgs s LYS 98 CO 0.06 -0.18 -0.01 -0.08 0.10 0.00 0.00 175.35 175.23 1bgs s THR 99 N -3.23 0.07 -0.10 3.79 -1.32 -0.39 -0.86 115.64 113.59 1bgs s THR 99 Ca 0.00 -0.16 0.01 0.00 -1.21 0.00 0.00 61.69 60.33 1bgs s THR 99 Cb 0.02 -0.09 0.01 0.00 -1.51 0.00 0.00 72.50 70.93 1bgs s THR 99 CO -0.08 -0.06 0.66 0.35 -2.21 0.00 0.00 174.62 173.29 1bgs n THR 100 N 2.84 0.27 -1.79 5.08 -2.24 -1.26 -1.21 114.28 115.98 1bgs n THR 100 Ca -0.14 -0.63 0.02 0.00 -2.27 0.00 0.00 64.05 61.03 1bgs n THR 100 Cb 0.59 0.88 0.16 0.00 -2.10 0.00 0.00 70.33 69.86 1bgs n THR 100 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1bgs n ASP 101 N -0.07 2.00 -3.52 3.42 5.68 -1.24 -4.66 116.55 118.16 1bgs n ASP 101 Ca 0.01 -3.62 -0.24 0.00 -0.50 0.00 0.00 54.79 50.44 1bgs n ASP 101 Cb 0.09 -0.48 0.05 0.00 -1.14 0.00 0.00 41.12 39.64 1bgs n ASP 101 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 1bgs n HIS 102 N -0.86 -2.15 -1.54 2.11 -0.00 -1.16 -3.46 115.22 108.17 1bgs n HIS 102 Ca 0.20 0.63 -0.18 0.00 -0.00 0.00 0.00 57.72 58.36 1bgs n HIS 102 Cb 0.78 -3.65 -0.08 0.00 -0.00 0.00 0.00 29.99 27.04 1bgs n HIS 102 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1bgs n TYR 103 N -3.69 0.00 -0.03 1.57 4.01 -1.26 -4.94 117.16 112.81 1bgs n TYR 103 Ca -0.09 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.51 1bgs n TYR 103 Cb 0.60 -3.15 -0.12 0.00 -0.31 0.00 0.00 39.34 36.36 1bgs n TYR 103 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 1bgs h GLN 104 N 0.00 0.11 -5.71 -0.72 4.20 -1.99 -3.45 115.11 107.55 1bgs h GLN 104 Ca -0.38 -0.13 -0.48 0.00 0.06 0.00 0.00 58.65 57.73 1bgs h GLN 104 Cb 1.21 0.04 -0.17 0.00 0.30 0.00 0.00 27.48 28.86 1bgs h GLN 104 CO 0.55 0.90 -0.77 0.95 -0.67 0.00 0.00 178.83 179.80 1bgs s THR 105 N -3.01 1.66 -0.02 -0.54 -4.23 -1.26 -5.12 115.64 103.11 1bgs s THR 105 Ca -0.17 -1.92 0.02 0.00 -1.18 0.00 0.00 61.69 58.45 1bgs s THR 105 Cb -0.00 -1.80 0.00 0.00 1.34 0.00 0.00 72.50 72.05 1bgs s THR 105 CO 0.72 -0.40 -0.08 -0.36 -0.54 0.00 0.00 174.62 173.96 1bgs s PHE 106 N -2.26 0.88 -0.15 3.99 0.40 -1.26 -4.51 117.98 115.07 1bgs s PHE 106 Ca 0.15 -0.22 -0.03 0.00 -0.60 0.00 0.00 56.93 56.24 1bgs s PHE 106 Cb -0.04 -0.64 -0.02 0.00 0.51 0.00 0.00 43.02 42.83 1bgs s PHE 106 CO 0.06 -0.10 -0.06 0.99 0.70 0.00 0.00 175.22 176.81 1bgs s THR 107 N 0.21 3.71 0.03 0.64 2.01 -0.04 -4.88 115.64 117.32 1bgs s THR 107 Ca -0.03 -0.43 -0.30 0.00 0.31 0.00 0.00 61.69 61.24 1bgs s THR 107 Cb -0.08 -2.61 -0.05 0.00 0.01 0.00 0.00 72.50 69.76 1bgs s THR 107 CO 0.00 0.50 1.27 -0.75 -0.69 0.00 0.00 174.62 174.95 1bgs s LYS 108 N 0.32 4.37 0.00 4.92 2.20 -1.26 -0.11 119.74 130.18 1bgs s LYS 108 Ca -0.05 1.83 0.00 0.00 -0.36 0.00 0.00 55.97 57.39 1bgs s LYS 108 Cb -0.14 -3.43 0.00 0.00 -1.51 0.00 0.00 37.83 32.75 1bgs s LYS 108 CO 0.04 -0.39 0.19 0.44 -0.36 0.00 0.00 175.35 175.26 1bgs n ILE 109 N 4.23 0.00 -1.49 5.43 -5.35 -0.74 -4.94 119.36 116.49 1bgs n ILE 109 Ca 0.11 -0.49 0.00 0.00 -0.27 0.00 0.00 62.75 62.10 1bgs n ILE 109 Cb 0.45 1.01 0.00 0.00 -1.74 0.00 0.00 39.64 39.36 1bgs n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33