#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bgs n GLN 2 N 0.00 0.27 -2.75 0.00 0.00 -1.26 -4.96 117.38 108.69 1bgs n GLN 2 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 57.00 56.58 1bgs n GLN 2 Cb 0.00 -1.26 -0.03 0.00 0.00 0.00 0.00 30.24 28.95 1bgs n GLN 2 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 1bgs s VAL 3 N -0.06 4.77 -0.18 -0.39 1.01 -1.26 -4.42 120.40 119.87 1bgs s VAL 3 Ca 0.00 1.89 -0.04 0.00 0.00 0.00 0.00 61.98 63.83 1bgs s VAL 3 Cb 0.00 -4.25 0.06 0.00 0.00 0.00 0.00 36.38 32.19 1bgs s VAL 3 CO 0.00 -0.08 0.06 -0.51 0.00 0.00 0.00 175.10 174.57 1bgs s ILE 4 N 2.66 0.25 0.00 2.22 1.10 -1.26 -5.02 121.20 121.16 1bgs s ILE 4 Ca 0.43 -0.36 0.20 0.00 -0.51 0.00 0.00 60.65 60.41 1bgs s ILE 4 Cb -0.16 -0.81 0.33 0.00 0.15 0.00 0.00 42.46 41.97 1bgs s ILE 4 CO 0.10 -0.22 1.13 -0.46 -2.11 0.00 0.00 174.94 173.38 1bgs n ASN 5 N 5.15 0.64 -4.77 4.50 6.94 -1.26 -4.81 115.26 121.65 1bgs n ASN 5 Ca -0.08 -1.99 -0.22 0.00 -0.02 0.00 0.00 54.58 52.27 1bgs n ASN 5 Cb 0.48 -0.21 -0.05 0.00 -2.36 0.00 0.00 39.78 37.64 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 0.00 3.32 0.07 5.53 -4.23 -1.26 -1.47 115.64 117.60 1bgs s THR 6 Ca 0.26 -1.59 -0.34 0.00 -1.18 0.00 0.00 61.69 58.84 1bgs s THR 6 Cb 0.30 -3.06 -0.19 0.00 1.34 0.00 0.00 72.50 70.89 1bgs s THR 6 CO -0.13 -0.21 1.61 -0.26 -0.54 0.00 0.00 174.62 175.09 1bgs h PHE 7 N 1.48 -0.94 -0.91 3.99 0.04 -1.98 0.26 116.94 118.88 1bgs h PHE 7 Ca -0.44 -0.02 0.01 0.00 2.80 0.00 0.00 57.97 60.31 1bgs h PHE 7 Cb 1.25 0.31 -0.05 0.00 2.20 0.00 0.00 35.95 39.67 1bgs h PHE 7 CO 0.60 -0.58 0.60 0.22 -0.60 0.00 0.00 178.31 178.55 1bgs h ASP 8 N -1.01 1.04 0.31 2.17 3.58 -1.97 0.17 116.42 120.70 1bgs h ASP 8 Ca -0.10 -0.03 -0.02 0.00 0.42 0.00 0.00 57.03 57.31 1bgs h ASP 8 Cb 0.78 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.57 1bgs h ASP 8 CO 0.17 0.75 -0.15 1.23 -2.88 0.00 0.00 179.24 178.36 1bgs h GLY 9 N 1.23 -0.43 1.25 -0.78 0.00 -1.91 0.17 103.07 102.60 1bgs h GLY 9 Ca 0.33 0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.82 1bgs h GLY 9 CO -0.07 -0.16 0.41 -2.08 0.00 0.00 0.00 176.54 174.64 1bgs h VAL 10 N -0.46 1.21 -0.73 4.60 2.07 -0.52 -1.71 116.25 120.71 1bgs h VAL 10 Ca -0.04 -0.49 0.04 0.00 0.82 0.00 0.00 66.70 67.03 1bgs h VAL 10 Cb 0.32 0.21 -0.05 0.00 -1.52 0.00 0.00 31.29 30.25 1bgs h VAL 10 CO 0.07 0.23 0.45 0.00 0.02 0.00 0.00 177.57 178.33 1bgs h ALA 11 N 1.46 0.96 -0.65 1.67 0.00 -0.64 -0.07 119.26 121.99 1bgs h ALA 11 Ca 0.26 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.07 1bgs h ALA 11 Cb -0.01 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1bgs h ALA 11 CO -0.05 0.21 0.09 0.22 0.00 0.00 0.00 179.25 179.72 1bgs h ASP 12 N 0.86 1.04 -0.16 0.00 3.58 -0.46 -2.54 116.42 118.73 1bgs h ASP 12 Ca 0.30 -0.27 -0.16 0.00 0.42 0.00 0.00 57.03 57.33 1bgs h ASP 12 Cb 0.07 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 40.83 1bgs h ASP 12 CO -0.13 1.04 -0.46 0.22 -2.88 0.00 0.00 179.24 177.03 1bgs h TYR 13 N 0.99 0.88 -0.34 0.28 5.03 -0.43 -2.88 116.97 120.51 1bgs h TYR 13 Ca 0.19 -0.28 -0.04 0.00 2.58 0.00 0.00 58.73 61.18 1bgs h TYR 13 Cb 0.45 -0.18 -0.01 0.00 1.55 0.00 0.00 36.73 38.54 1bgs h TYR 13 CO 0.03 1.05 0.05 -0.07 -1.32 0.00 0.00 178.16 177.91 1bgs h LEU 14 N 0.57 0.53 -2.13 2.82 3.38 -1.04 -0.36 115.31 119.09 1bgs h LEU 14 Ca 0.03 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 1bgs h LEU 14 Cb 1.02 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.63 1bgs h LEU 14 CO 0.10 0.66 -0.03 1.56 0.09 0.00 0.00 178.44 180.81 1bgs h GLN 15 N 0.39 0.00 0.00 1.13 1.08 -1.39 0.13 115.11 116.44 1bgs h GLN 15 Ca 0.10 0.00 -0.25 0.00 -1.45 0.00 0.00 58.65 57.05 1bgs h GLN 15 Cb 0.35 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.74 1bgs h GLN 15 CO 0.01 0.03 -1.61 2.41 -0.95 0.00 0.00 178.83 178.72 1bgs n THR 16 N -4.18 1.51 0.73 -0.54 -1.04 -0.98 -4.43 114.28 105.35 1bgs n THR 16 Ca -0.03 -0.10 0.11 0.00 -2.04 0.00 0.00 64.05 61.99 1bgs n THR 16 Cb 0.12 -2.08 0.08 0.00 -1.82 0.00 0.00 70.33 66.62 1bgs n THR 16 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1bgs n TYR 17 N -4.39 0.19 -3.69 -1.42 4.02 -0.18 -4.96 117.16 106.73 1bgs n TYR 17 Ca -0.34 0.06 -0.23 0.00 -0.01 0.00 0.00 57.90 57.38 1bgs n TYR 17 Cb 0.67 -0.36 0.05 0.00 -0.02 0.00 0.00 39.34 39.68 1bgs n TYR 17 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 1bgs n HIS 18 N -1.80 -2.15 -3.54 -0.72 8.25 0.45 -4.99 115.22 110.72 1bgs n HIS 18 Ca 0.03 0.89 -0.08 0.00 -0.26 0.00 0.00 57.72 58.31 1bgs n HIS 18 Cb 0.40 -4.49 -0.02 0.00 1.12 0.00 0.00 29.99 26.99 1bgs n HIS 18 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1bgs s LYS 19 N -6.05 0.66 0.53 -0.41 -2.85 -1.25 -5.08 119.74 105.29 1bgs s LYS 19 Ca 0.21 -0.19 -0.16 0.00 -1.00 0.00 0.00 55.97 54.83 1bgs s LYS 19 Cb -0.10 0.31 -0.07 0.00 -2.06 0.00 0.00 37.83 35.91 1bgs s LYS 19 CO 0.79 -0.28 1.00 -0.51 0.10 0.00 0.00 175.35 176.45 1bgs s LEU 20 N -2.19 3.59 0.70 2.77 1.43 -1.26 -4.07 118.68 119.65 1bgs s LEU 20 Ca 0.05 1.61 -0.14 0.00 -1.03 0.00 0.00 54.13 54.61 1bgs s LEU 20 Cb -0.01 -4.51 0.02 0.00 0.03 0.00 0.00 46.19 41.72 1bgs s LEU 20 CO -0.06 -0.70 1.14 -2.16 0.23 0.00 0.00 176.35 174.80 1bgs s PRO 21 N -4.11 2.46 0.36 1.29 0.04 -1.26 -4.93 135.00 128.85 1bgs s PRO 21 Ca 0.60 1.51 0.20 0.00 0.04 0.00 0.00 61.00 63.34 1bgs s PRO 21 Cb -0.11 -1.90 1.30 0.00 0.04 0.00 0.00 34.50 33.84 1bgs s PRO 21 CO 0.33 -1.54 1.53 -0.25 0.04 0.00 0.00 177.00 177.12 1bgs n ASP 22 N -2.67 0.33 0.00 6.66 9.92 -1.26 -2.19 116.55 127.34 1bgs n ASP 22 Ca 0.11 1.61 0.05 0.00 -0.53 0.00 0.00 54.79 56.03 1bgs n ASP 22 Cb 0.51 -0.78 0.30 0.00 -0.64 0.00 0.00 41.12 40.51 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 -5.19 0.00 -4.80 -2.24 6.94 -1.26 -4.78 115.26 103.92 1bgs n ASN 23 Ca 0.37 -0.52 -0.35 0.00 -0.02 0.00 0.00 54.58 54.05 1bgs n ASN 23 Cb 1.25 0.00 -0.07 0.00 -2.36 0.00 0.00 39.78 38.59 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 -2.00 3.41 0.10 -2.53 2.02 -0.93 -0.99 117.35 116.42 1bgs s TYR 24 Ca 0.15 0.36 0.05 0.00 -0.37 0.00 0.00 57.07 57.26 1bgs s TYR 24 Cb 0.07 -1.85 -0.03 0.00 -0.40 0.00 0.00 41.96 39.74 1bgs s TYR 24 CO 0.12 0.62 -0.13 0.96 -1.57 0.00 0.00 175.55 175.55 1bgs s ILE 25 N -1.03 1.14 0.88 2.71 -5.25 0.43 -4.88 121.20 115.21 1bgs s ILE 25 Ca 0.16 -1.57 -0.12 0.00 -0.99 0.00 0.00 60.65 58.13 1bgs s ILE 25 Cb -0.12 -1.34 0.12 0.00 2.95 0.00 0.00 42.46 44.07 1bgs s ILE 25 CO 0.06 -0.41 1.10 0.42 -1.79 0.00 0.00 174.94 174.32 1bgs s THR 26 N -1.99 2.64 0.21 8.37 -4.23 -1.20 -0.89 115.64 118.55 1bgs s THR 26 Ca 0.05 0.21 -0.09 0.00 -1.18 0.00 0.00 61.69 60.67 1bgs s THR 26 Cb -0.06 -2.81 0.14 0.00 1.34 0.00 0.00 72.50 71.12 1bgs s THR 26 CO 0.02 -0.27 1.78 0.11 -0.54 0.00 0.00 174.62 175.72 1bgs h LYS 27 N -1.44 0.55 0.01 3.99 1.57 -1.97 -1.93 116.57 117.35 1bgs h LYS 27 Ca -0.49 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.26 1bgs h LYS 27 Cb 1.29 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 33.47 1bgs h LYS 27 CO 0.57 0.36 -0.02 0.66 -0.57 0.00 0.00 179.45 180.45 1bgs h SER 28 N 0.56 -0.06 -0.88 0.86 4.64 -2.00 -1.96 113.55 114.72 1bgs h SER 28 Ca 0.31 0.01 0.14 0.00 -0.47 0.00 0.00 61.79 61.78 1bgs h SER 28 Cb 0.29 0.03 -0.09 0.00 -0.31 0.00 0.00 62.40 62.31 1bgs h SER 28 CO -0.24 -0.04 0.47 -0.33 -0.87 0.00 0.00 176.83 175.83 1bgs h GLU 29 N -0.05 0.66 -0.42 4.77 5.08 -1.85 0.89 114.58 123.66 1bgs h GLU 29 Ca 0.01 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 1bgs h GLU 29 Cb 0.05 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 1bgs h GLU 29 CO -0.02 0.44 0.14 0.00 -1.00 0.00 0.00 179.01 178.57 1bgs h ALA 30 N 1.56 0.55 -0.25 3.43 0.00 -0.93 -1.73 119.26 121.90 1bgs h ALA 30 Ca 0.47 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 55.16 1bgs h ALA 30 Cb 0.64 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1bgs h ALA 30 CO -0.35 0.19 -0.09 1.96 0.00 0.00 0.00 179.25 180.96 1bgs h GLN 31 N 0.53 0.39 0.00 0.00 4.20 -0.47 -1.05 115.11 118.72 1bgs h GLN 31 Ca 0.14 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.75 1bgs h GLN 31 Cb 0.25 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.98 1bgs h GLN 31 CO -0.01 0.50 0.00 0.00 -0.67 0.00 0.00 178.83 178.65 1bgs h ALA 32 N 1.54 1.00 -0.04 3.87 0.00 -0.08 -0.78 119.26 124.77 1bgs h ALA 32 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1bgs h ALA 32 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1bgs h ALA 32 CO 0.02 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.55 1bgs n LEU 33 N -2.36 2.69 0.00 0.00 4.77 -0.65 -4.99 117.00 116.46 1bgs n LEU 33 Ca 0.02 -1.03 0.00 0.00 -0.03 0.00 0.00 56.01 54.96 1bgs n LEU 33 Cb 0.22 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1bgs n LEU 33 CO 0.20 0.47 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 1bgs n GLY 34 N 1.12 1.40 3.70 -0.72 0.00 -0.30 -4.79 105.19 105.61 1bgs n GLY 34 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.00 3.30 -0.31 1.61 -0.00 -0.49 -4.95 118.94 116.09 1bgs s TRP 35 Ca 0.00 1.19 -0.02 0.00 -0.00 0.00 0.00 56.10 57.28 1bgs s TRP 35 Cb 0.00 -3.47 0.11 0.00 -0.00 0.00 0.00 33.47 30.10 1bgs s TRP 35 CO 0.00 -1.53 0.13 0.54 -0.00 0.00 0.00 176.95 176.09 1bgs s VAL 36 N 1.46 0.52 0.58 5.86 0.11 -1.26 -4.39 120.40 123.29 1bgs s VAL 36 Ca 0.59 -1.28 0.40 0.00 -2.93 0.00 0.00 61.98 58.76 1bgs s VAL 36 Cb -0.29 -1.41 0.58 0.00 -1.53 0.00 0.00 36.38 33.73 1bgs s VAL 36 CO 0.27 -0.73 1.44 0.00 -3.33 0.00 0.00 175.10 172.75 1bgs h ALA 37 N 8.03 3.47 0.00 1.54 0.00 -1.98 0.20 119.26 130.51 1bgs h ALA 37 Ca -0.13 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1bgs h ALA 37 Cb 1.00 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1bgs h ALA 37 CO 0.45 -2.14 0.00 -1.13 0.00 0.00 0.00 179.25 176.43 1bgs n SER 38 N -3.61 0.82 0.04 0.00 3.41 -1.26 -3.50 113.62 109.53 1bgs n SER 38 Ca 0.35 0.60 -0.11 0.00 -0.26 0.00 0.00 58.87 59.45 1bgs n SER 38 Cb 1.80 -0.81 -0.13 0.00 -0.26 0.00 0.00 64.21 64.81 1bgs n SER 38 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1bgs h LYS 39 N 0.00 0.09 -0.04 4.33 1.79 -1.04 -3.48 116.57 118.22 1bgs h LYS 39 Ca 0.00 -0.15 0.00 0.00 -2.18 0.00 0.00 60.65 58.32 1bgs h LYS 39 Cb 0.67 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.38 1bgs h LYS 39 CO 0.00 0.91 0.00 0.41 -1.08 0.00 0.00 179.45 179.69 1bgs n GLY 40 N 1.51 0.79 2.08 3.86 0.00 -1.23 -4.98 105.19 107.23 1bgs n GLY 40 Ca -0.10 -0.66 -0.18 0.00 0.00 0.00 0.00 46.02 45.08 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 1.48 3.92 -0.03 1.61 6.94 -1.26 -3.89 115.26 124.04 1bgs n ASN 41 Ca 0.00 -3.52 -0.12 0.00 -0.02 0.00 0.00 54.58 50.91 1bgs n ASN 41 Cb 0.37 -0.80 -0.07 0.00 -2.36 0.00 0.00 39.78 36.92 1bgs n ASN 41 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1bgs h LEU 42 N 1.43 0.16 -1.25 -4.53 6.46 -1.93 -1.68 115.31 113.97 1bgs h LEU 42 Ca 0.51 -0.33 0.15 0.00 -0.12 0.00 0.00 57.88 58.08 1bgs h LEU 42 Cb 2.64 -0.04 -0.07 0.00 -0.73 0.00 0.00 40.66 42.45 1bgs h LEU 42 CO 0.96 0.45 0.59 0.00 -0.62 0.00 0.00 178.44 179.82 1bgs h ALA 43 N 0.71 1.81 -0.57 1.25 0.00 -1.81 0.36 119.26 121.00 1bgs h ALA 43 Ca 0.02 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 1bgs h ALA 43 Cb 0.38 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1bgs h ALA 43 CO 0.01 -0.06 0.04 -0.44 0.00 0.00 0.00 179.25 178.79 1bgs h ASP 44 N 0.71 0.95 0.33 0.00 3.32 -1.81 -2.18 116.42 117.75 1bgs h ASP 44 Ca 0.47 -0.29 -0.32 0.00 0.02 0.00 0.00 57.03 56.90 1bgs h ASP 44 Cb 0.74 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.99 1bgs h ASP 44 CO -0.22 1.00 -1.85 1.33 -1.72 0.00 0.00 179.24 177.78 1bgs n VAL 45 N -4.27 1.67 -3.54 -1.35 0.24 0.57 -4.64 118.33 107.00 1bgs n VAL 45 Ca 0.02 -0.74 -0.29 0.00 -2.04 0.00 0.00 64.34 61.29 1bgs n VAL 45 Cb 0.31 -1.29 -0.13 0.00 -1.47 0.00 0.00 33.84 31.25 1bgs n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1bgs s ALA 46 N -2.58 1.00 0.37 2.33 0.00 0.94 -4.97 121.76 118.84 1bgs s ALA 46 Ca -0.12 -1.64 -0.28 0.00 0.00 0.00 0.00 51.96 49.92 1bgs s ALA 46 Cb 0.07 -1.56 -0.10 0.00 0.00 0.00 0.00 23.12 21.53 1bgs s ALA 46 CO 0.80 -1.90 1.38 -2.14 0.00 0.00 0.00 175.76 173.91 1bgs s PRO 47 N 1.42 4.17 -0.33 0.00 0.02 -0.82 -2.81 135.00 136.66 1bgs s PRO 47 Ca 0.14 2.36 0.00 0.00 0.02 0.00 0.00 61.00 63.52 1bgs s PRO 47 Cb -0.20 -2.96 0.00 0.00 0.02 0.00 0.00 34.50 31.36 1bgs s PRO 47 CO -0.15 -0.40 0.00 0.41 -0.33 0.00 0.00 177.00 176.53 1bgs n GLY 48 N 0.63 0.62 3.71 0.52 0.00 -1.26 -5.01 105.19 104.41 1bgs n GLY 48 Ca 0.01 -0.60 -0.28 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.77 2.62 0.04 1.61 3.01 -1.12 -4.68 119.74 119.45 1bgs s LYS 49 Ca 0.00 -0.91 0.02 0.00 -1.01 0.00 0.00 55.97 54.07 1bgs s LYS 49 Cb 0.00 -2.53 -0.02 0.00 -1.01 0.00 0.00 37.83 34.26 1bgs s LYS 49 CO 0.00 0.51 -0.08 -1.12 0.51 0.00 0.00 175.35 175.17 1bgs s SER 50 N -2.68 0.84 0.00 2.83 0.01 -0.16 -4.87 113.70 109.67 1bgs s SER 50 Ca 0.28 -0.58 -0.30 0.00 1.31 0.00 0.00 55.95 56.66 1bgs s SER 50 Cb -0.11 0.04 -0.04 0.00 0.21 0.00 0.00 66.02 66.13 1bgs s SER 50 CO 0.20 -0.22 1.09 -0.63 0.41 0.00 0.00 173.24 174.08 1bgs s ILE 51 N -1.52 4.49 0.00 1.44 -1.09 -1.26 -0.43 121.20 122.84 1bgs s ILE 51 Ca -0.09 1.79 0.00 0.00 -2.23 0.00 0.00 60.65 60.12 1bgs s ILE 51 Cb -0.09 -4.15 0.00 0.00 -1.58 0.00 0.00 42.46 36.64 1bgs s ILE 51 CO 0.00 0.10 0.00 0.61 -1.23 0.00 0.00 174.94 174.42 1bgs n GLY 52 N 3.10 1.20 0.00 6.18 0.00 -0.07 -0.96 105.19 114.64 1bgs n GLY 52 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1bgs n GLY 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bgs n GLY 53 N -0.01 1.26 3.85 -0.02 0.00 0.11 -3.22 105.19 107.16 1bgs n GLY 53 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.77 6.55 0.35 1.61 1.01 -1.22 -4.82 116.67 118.38 1bgs s ASP 54 Ca 0.00 1.49 -0.28 0.00 0.71 0.00 0.00 52.55 54.47 1bgs s ASP 54 Cb 0.00 -2.48 -0.11 0.00 1.01 0.00 0.00 42.92 41.34 1bgs s ASP 54 CO 0.00 -0.61 1.38 -0.63 0.21 0.00 0.00 175.17 175.52 1bgs s ILE 55 N -2.68 2.47 -0.24 0.77 -1.09 -1.26 -2.42 121.20 116.75 1bgs s ILE 55 Ca 0.57 0.47 -0.04 0.00 -2.23 0.00 0.00 60.65 59.43 1bgs s ILE 55 Cb -0.10 -3.30 0.00 0.00 -1.58 0.00 0.00 42.46 37.48 1bgs s ILE 55 CO 0.35 0.11 -0.03 0.12 -1.23 0.00 0.00 174.94 174.26 1bgs s PHE 56 N -1.10 3.01 -1.60 3.97 5.36 0.04 -4.82 117.98 122.85 1bgs s PHE 56 Ca 0.51 -1.11 0.28 0.00 -0.96 0.00 0.00 56.93 55.64 1bgs s PHE 56 Cb -0.42 -2.11 1.01 0.00 -0.34 0.00 0.00 43.02 41.15 1bgs s PHE 56 CO 0.56 -0.60 1.73 0.43 -1.46 0.00 0.00 175.22 175.88 1bgs n SER 57 N 4.77 0.63 -3.58 6.13 7.64 -1.26 -4.13 113.62 123.83 1bgs n SER 57 Ca -0.17 -0.60 -0.24 0.00 1.01 0.00 0.00 58.87 58.86 1bgs n SER 57 Cb 0.49 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.74 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 -0.92 -4.42 -0.06 6.43 5.15 -1.26 -4.84 115.26 115.34 1bgs n ASN 58 Ca 0.13 -0.89 0.11 0.00 -0.60 0.00 0.00 54.58 53.33 1bgs n ASN 58 Cb 0.31 -4.02 0.50 0.00 -0.53 0.00 0.00 39.78 36.03 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 -1.68 0.40 -0.24 1.20 3.08 -2.01 0.20 114.38 115.33 1bgs h ARG 59 Ca -0.64 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.39 1bgs h ARG 59 Cb 1.35 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.31 1bgs h ARG 59 CO 0.50 0.27 0.00 0.39 -1.07 0.00 0.00 179.97 180.05 1bgs n GLU 60 N -4.47 2.11 -2.30 0.04 -0.58 -1.26 -4.92 120.64 109.25 1bgs n GLU 60 Ca 0.08 -1.66 -0.21 0.00 -0.42 0.00 0.00 57.16 54.96 1bgs n GLU 60 Cb 0.32 -1.45 -0.02 0.00 -0.57 0.00 0.00 31.44 29.72 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 1.31 -0.21 0.17 0.62 0.00 0.71 -4.89 105.19 102.90 1bgs n GLY 61 Ca 0.17 -0.02 -0.07 0.00 0.00 0.00 0.00 46.02 46.11 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 0.00 0.29 -6.26 1.61 1.57 -1.92 -3.45 116.57 108.42 1bgs h LYS 62 Ca -0.48 -0.23 -0.56 0.00 -1.87 0.00 0.00 60.65 57.51 1bgs h LYS 62 Cb 1.36 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 33.67 1bgs h LYS 62 CO 0.58 0.86 0.03 -0.51 -0.57 0.00 0.00 179.45 179.85 1bgs s LEU 63 N -7.88 4.51 0.27 2.94 1.43 -1.26 -5.01 118.68 113.68 1bgs s LEU 63 Ca -0.04 1.33 -0.30 0.00 -1.03 0.00 0.00 54.13 54.09 1bgs s LEU 63 Cb 0.11 -3.01 -0.13 0.00 0.03 0.00 0.00 46.19 43.19 1bgs s LEU 63 CO 0.82 0.19 1.31 -0.81 0.23 0.00 0.00 176.35 178.09 1bgs n PRO 64 N 2.05 1.92 -4.71 1.29 -0.04 -1.26 -5.00 135.00 129.25 1bgs n PRO 64 Ca -0.08 0.68 -0.31 0.00 -0.04 0.00 0.00 63.50 63.75 1bgs n PRO 64 Cb 0.50 -2.27 -0.13 0.00 -0.04 0.00 0.00 33.50 31.57 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 -0.00 1.58 0.04 0.55 0.00 -1.26 -5.09 107.32 103.14 1bgs s GLY 65 Ca 0.64 -1.11 -0.11 0.00 0.00 0.00 0.00 44.72 44.13 1bgs s GLY 65 CO 0.55 -0.97 0.24 -1.59 0.00 0.00 0.00 173.10 171.32 1bgs s LYS 66 N -1.23 0.74 0.37 2.90 -2.85 -1.26 -5.08 119.74 113.33 1bgs s LYS 66 Ca 0.14 -0.58 -0.28 0.00 -1.00 0.00 0.00 55.97 54.25 1bgs s LYS 66 Cb -0.11 0.31 -0.11 0.00 -2.06 0.00 0.00 37.83 35.86 1bgs s LYS 66 CO 0.04 -0.22 1.45 0.43 0.10 0.00 0.00 175.35 177.15 1bgs n SER 67 N 0.65 3.61 0.00 0.03 7.64 -1.26 -1.67 113.62 122.62 1bgs n SER 67 Ca -0.19 1.22 0.00 0.00 1.01 0.00 0.00 58.87 60.91 1bgs n SER 67 Cb 0.59 -1.60 0.00 0.00 -1.01 0.00 0.00 64.21 62.20 1bgs n SER 67 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bgs n GLY 68 N 0.56 2.71 3.66 0.23 0.00 -1.26 -4.99 105.19 106.10 1bgs n GLY 68 Ca 0.02 -0.24 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 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 0.00 4.22 -0.04 1.61 3.52 -0.67 -4.93 118.95 122.66 1bgs s ARG 69 Ca 0.00 1.53 -0.00 0.00 -0.13 0.00 0.00 55.73 57.13 1bgs s ARG 69 Cb 0.00 -3.73 -0.04 0.00 -1.56 0.00 0.00 34.95 29.62 1bgs s ARG 69 CO 0.00 -0.71 0.02 0.99 -0.81 0.00 0.00 175.30 174.79 1bgs s THR 70 N 3.47 4.38 -0.04 4.11 2.01 -1.26 -4.76 115.64 123.55 1bgs s THR 70 Ca 0.51 -0.40 0.05 0.00 0.31 0.00 0.00 61.69 62.16 1bgs s THR 70 Cb -0.19 -2.92 -0.02 0.00 0.01 0.00 0.00 72.50 69.37 1bgs s THR 70 CO 0.13 0.46 -0.17 0.26 -0.69 0.00 0.00 174.62 174.61 1bgs s TRP 71 N -1.03 2.60 0.35 4.92 0.52 -1.26 -1.69 118.94 123.36 1bgs s TRP 71 Ca 0.18 -0.23 0.04 0.00 0.02 0.00 0.00 56.10 56.11 1bgs s TRP 71 Cb -0.12 -1.59 -0.06 0.00 -1.15 0.00 0.00 33.47 30.56 1bgs s TRP 71 CO 0.08 0.14 0.05 1.03 0.02 0.00 0.00 176.95 178.27 1bgs s ARG 72 N -0.75 1.74 0.18 4.98 0.52 -0.41 -0.78 118.95 124.43 1bgs s ARG 72 Ca 0.11 -1.98 -0.11 0.00 -0.52 0.00 0.00 55.73 53.23 1bgs s ARG 72 Cb -0.10 -1.01 0.00 0.00 0.52 0.00 0.00 34.95 34.35 1bgs s ARG 72 CO 0.00 -0.19 0.36 -1.83 0.02 0.00 0.00 175.30 173.67 1bgs s GLU 73 N -3.85 1.24 -0.09 3.54 -1.05 -1.02 -1.27 118.70 116.20 1bgs s GLU 73 Ca 0.35 -1.09 -0.30 0.00 -0.15 0.00 0.00 54.97 53.77 1bgs s GLU 73 Cb 0.08 0.42 0.08 0.00 -0.44 0.00 0.00 34.13 34.27 1bgs s GLU 73 CO 0.16 -0.48 0.73 0.00 0.95 0.00 0.00 175.26 176.61 1bgs s ALA 74 N -3.94 -1.79 0.25 -0.84 0.00 -0.07 -0.71 121.76 114.64 1bgs s ALA 74 Ca 0.15 1.43 -0.30 0.00 0.00 0.00 0.00 51.96 53.25 1bgs s ALA 74 Cb 0.02 -0.22 -0.09 0.00 0.00 0.00 0.00 23.12 22.82 1bgs s ALA 74 CO -0.00 -0.36 1.16 -0.51 0.00 0.00 0.00 175.76 176.05 1bgs s ASP 75 N -1.00 7.15 0.05 0.00 1.11 -0.13 0.36 116.67 124.21 1bgs s ASP 75 Ca -0.09 2.30 0.06 0.00 0.18 0.00 0.00 52.55 55.00 1bgs s ASP 75 Cb -0.01 -2.62 -0.04 0.00 1.07 0.00 0.00 42.92 41.33 1bgs s ASP 75 CO 0.08 -0.27 -0.12 -0.63 1.18 0.00 0.00 175.17 175.41 1bgs s ILE 76 N -0.73 3.24 -1.09 0.77 -1.09 0.28 -4.70 121.20 117.87 1bgs s ILE 76 Ca 0.48 -1.10 0.00 0.00 -2.23 0.00 0.00 60.65 57.80 1bgs s ILE 76 Cb -0.33 -2.43 0.00 0.00 -1.58 0.00 0.00 42.46 38.12 1bgs s ILE 76 CO 0.41 0.27 0.00 0.59 -1.23 0.00 0.00 174.94 174.98 1bgs n ASN 77 N 1.25 -4.00 -4.78 3.58 3.02 -0.54 -4.46 115.26 109.33 1bgs n ASN 77 Ca -0.15 0.09 -0.38 0.00 -0.03 0.00 0.00 54.58 54.11 1bgs n ASN 77 Cb 0.52 -2.99 -0.06 0.00 -0.61 0.00 0.00 39.78 36.64 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 -2.54 3.64 0.08 3.10 5.04 -1.26 -4.94 117.35 120.47 1bgs s TYR 78 Ca 0.00 0.97 0.00 0.00 -2.44 0.00 0.00 57.07 55.60 1bgs s TYR 78 Cb 0.00 -2.41 0.00 0.00 0.35 0.00 0.00 41.96 39.90 1bgs s TYR 78 CO 0.00 0.44 0.00 2.41 -1.34 0.00 0.00 175.55 177.06 1bgs n THR 79 N 2.59 0.90 -3.98 4.34 -1.04 -1.26 -4.94 114.28 110.88 1bgs n THR 79 Ca -0.11 0.30 -0.09 0.00 -2.04 0.00 0.00 64.05 62.10 1bgs n THR 79 Cb 0.52 -1.40 -0.06 0.00 -1.82 0.00 0.00 70.33 67.57 1bgs n THR 79 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1bgs s SER 80 N -5.71 -0.08 1.01 8.00 1.04 -1.26 -4.80 113.70 111.89 1bgs s SER 80 Ca 0.00 -0.90 0.00 0.00 0.48 0.00 0.00 55.95 55.53 1bgs s SER 80 Cb 0.00 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.68 1bgs s SER 80 CO 0.00 -1.09 0.00 0.61 0.98 0.00 0.00 173.24 173.74 1bgs n GLY 81 N -0.35 1.94 3.74 7.32 0.00 -1.25 -4.84 105.19 111.74 1bgs n GLY 81 Ca -0.03 -0.51 -0.40 0.00 0.00 0.00 0.00 46.02 45.09 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 3.70 0.40 1.61 0.08 -1.26 -4.62 117.98 117.88 1bgs s PHE 82 Ca 0.00 1.39 -0.25 0.00 0.12 0.00 0.00 56.93 58.18 1bgs s PHE 82 Cb 0.00 -2.78 -0.11 0.00 -0.57 0.00 0.00 43.02 39.56 1bgs s PHE 82 CO 0.00 0.25 1.12 0.54 -0.10 0.00 0.00 175.22 177.03 1bgs n ARG 83 N 2.98 1.61 -1.60 0.44 1.74 -1.26 -5.01 116.66 115.56 1bgs n ARG 83 Ca -0.03 0.57 -0.07 0.00 -0.77 0.00 0.00 57.85 57.55 1bgs n ARG 83 Cb 0.51 -2.15 0.03 0.00 -1.02 0.00 0.00 32.46 29.82 1bgs n ARG 83 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1bgs n ASN 84 N 0.53 0.68 -0.76 0.55 0.23 -1.26 -5.01 115.26 110.22 1bgs n ASN 84 Ca 0.08 -1.51 0.05 0.00 -0.53 0.00 0.00 54.58 52.66 1bgs n ASN 84 Cb 0.38 -0.18 0.16 0.00 -2.08 0.00 0.00 39.78 38.06 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 -2.82 2.15 -4.65 0.53 3.41 -1.26 -4.93 113.62 106.05 1bgs n SER 85 Ca 0.06 -2.12 -0.35 0.00 -0.26 0.00 0.00 58.87 56.21 1bgs n SER 85 Cb 0.22 -0.32 -0.10 0.00 -0.26 0.00 0.00 64.21 63.75 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 -0.81 5.44 -0.12 4.04 1.01 -1.26 -2.92 116.67 122.05 1bgs s ASP 86 Ca 0.23 0.10 -0.09 0.00 0.71 0.00 0.00 52.55 53.49 1bgs s ASP 86 Cb 0.14 -1.81 0.04 0.00 1.01 0.00 0.00 42.92 42.29 1bgs s ASP 86 CO 0.13 0.25 0.30 -0.13 0.21 0.00 0.00 175.17 175.93 1bgs s ARG 87 N -0.10 0.33 -0.07 8.23 1.81 -0.29 -0.56 118.95 128.30 1bgs s ARG 87 Ca 0.05 0.48 -0.07 0.00 -1.72 0.00 0.00 55.73 54.48 1bgs s ARG 87 Cb -0.12 0.09 -0.04 0.00 -0.45 0.00 0.00 34.95 34.43 1bgs s ARG 87 CO 0.02 -0.08 0.19 -1.50 -0.68 0.00 0.00 175.30 173.25 1bgs s ILE 88 N 0.51 5.42 -0.12 1.52 2.07 0.16 -1.56 121.20 129.19 1bgs s ILE 88 Ca -0.03 0.20 -0.01 0.00 -1.41 0.00 0.00 60.65 59.41 1bgs s ILE 88 Cb -0.04 -3.48 0.03 0.00 0.13 0.00 0.00 42.46 39.09 1bgs s ILE 88 CO -0.03 0.52 -0.05 -0.76 -1.91 0.00 0.00 174.94 172.72 1bgs s LEU 89 N -1.31 1.12 -0.04 8.50 2.01 -0.17 -0.90 118.68 127.89 1bgs s LEU 89 Ca 0.20 -0.34 0.03 0.00 0.01 0.00 0.00 54.13 54.03 1bgs s LEU 89 Cb -0.13 -0.75 0.00 0.00 0.01 0.00 0.00 46.19 45.33 1bgs s LEU 89 CO 0.09 -0.16 -0.14 -0.72 1.01 0.00 0.00 176.35 176.44 1bgs s TYR 90 N 1.77 1.42 0.35 0.29 1.13 -0.40 -0.86 117.35 121.05 1bgs s TYR 90 Ca 0.04 -0.40 0.01 0.00 -1.41 0.00 0.00 57.07 55.31 1bgs s TYR 90 Cb -0.13 -0.98 -0.03 0.00 -1.10 0.00 0.00 41.96 39.73 1bgs s TYR 90 CO -0.07 -0.15 0.54 -1.54 -2.51 0.00 0.00 175.55 171.82 1bgs s SER 91 N 0.14 6.20 0.29 -0.18 1.04 -0.77 -1.29 113.70 119.13 1bgs s SER 91 Ca -0.04 0.34 0.19 0.00 0.48 0.00 0.00 55.95 56.91 1bgs s SER 91 Cb -0.11 -1.87 1.04 0.00 0.10 0.00 0.00 66.02 65.18 1bgs s SER 91 CO 0.02 -0.35 1.57 -1.54 0.98 0.00 0.00 173.24 173.92 1bgs n SER 92 N -1.79 0.50 -0.77 7.02 3.41 -0.68 -0.16 113.62 121.15 1bgs n SER 92 Ca -0.04 0.72 0.03 0.00 -0.26 0.00 0.00 58.87 59.33 1bgs n SER 92 Cb 0.57 -0.78 0.20 0.00 -0.26 0.00 0.00 64.21 63.94 1bgs n SER 92 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1bgs n ASP 93 N -2.18 2.58 -3.72 4.04 5.75 -1.26 -5.01 116.55 116.75 1bgs n ASP 93 Ca -0.01 -3.51 -0.28 0.00 -0.01 0.00 0.00 54.79 50.97 1bgs n ASP 93 Cb 0.06 -0.55 -0.01 0.00 -1.03 0.00 0.00 41.12 39.58 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 -1.06 -1.83 -2.28 2.11 7.02 0.77 -5.01 117.44 117.15 1bgs n TRP 94 Ca 0.24 0.63 -0.39 0.00 -1.02 0.00 0.00 57.50 56.96 1bgs n TRP 94 Cb 0.85 -3.02 -0.02 0.00 -2.42 0.00 0.00 31.31 26.70 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 -6.84 4.28 -0.05 -0.99 1.02 -1.26 -4.86 118.68 109.99 1bgs s LEU 95 Ca 0.55 2.40 0.02 0.00 0.02 0.00 0.00 54.13 57.12 1bgs s LEU 95 Cb -0.29 -3.90 0.02 0.00 0.02 0.00 0.00 46.19 42.03 1bgs s LEU 95 CO 0.68 -0.58 -0.08 -0.63 0.02 0.00 0.00 176.35 175.75 1bgs s ILE 96 N -1.33 0.84 0.26 -0.59 1.01 -1.26 -1.85 121.20 118.27 1bgs s ILE 96 Ca 0.54 -0.31 0.11 0.00 0.00 0.00 0.00 60.65 60.99 1bgs s ILE 96 Cb -0.33 -0.80 -0.05 0.00 0.01 0.00 0.00 42.46 41.30 1bgs s ILE 96 CO 0.42 0.29 -0.20 -0.31 0.00 0.00 0.00 174.94 175.14 1bgs s TYR 97 N 0.75 2.19 0.13 3.97 1.51 -0.04 0.06 117.35 125.92 1bgs s TYR 97 Ca -0.13 -0.37 0.02 0.00 -1.01 0.00 0.00 57.07 55.58 1bgs s TYR 97 Cb -0.15 -0.97 -0.04 0.00 -0.11 0.00 0.00 41.96 40.68 1bgs s TYR 97 CO 0.02 0.63 -0.05 -1.59 -1.11 0.00 0.00 175.55 173.45 1bgs s LYS 98 N -3.41 0.95 -0.07 -0.62 -2.85 -0.03 -1.00 119.74 112.70 1bgs s LYS 98 Ca 0.27 -1.41 -0.06 0.00 -1.00 0.00 0.00 55.97 53.77 1bgs s LYS 98 Cb -0.05 -0.28 0.03 0.00 -2.06 0.00 0.00 37.83 35.47 1bgs s LYS 98 CO 0.13 -0.04 0.19 -0.08 0.10 0.00 0.00 175.35 175.64 1bgs s THR 99 N -3.60 -0.01 -0.83 3.79 -1.32 -0.60 -1.66 115.64 111.40 1bgs s THR 99 Ca 0.16 0.05 0.07 0.00 -1.21 0.00 0.00 61.69 60.76 1bgs s THR 99 Cb 0.05 -0.28 0.07 0.00 -1.51 0.00 0.00 72.50 70.83 1bgs s THR 99 CO -0.01 0.02 0.76 0.35 -2.21 0.00 0.00 174.62 173.53 1bgs n THR 100 N 3.36 0.09 -1.90 5.08 -2.24 -1.26 -1.14 114.28 116.27 1bgs n THR 100 Ca -0.17 -0.55 -0.08 0.00 -2.27 0.00 0.00 64.05 60.99 1bgs n THR 100 Cb 0.57 1.09 0.11 0.00 -2.10 0.00 0.00 70.33 69.99 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 0.36 3.09 -3.31 3.42 5.68 -1.25 -4.69 116.55 119.86 1bgs n ASP 101 Ca 0.04 -3.64 -0.09 0.00 -0.50 0.00 0.00 54.79 50.60 1bgs n ASP 101 Cb 0.19 -0.43 0.01 0.00 -1.14 0.00 0.00 41.12 39.74 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 -0.82 -2.64 -2.15 2.11 -0.00 -1.15 -3.47 115.22 107.10 1bgs n HIS 102 Ca 0.29 1.00 -0.14 0.00 -0.00 0.00 0.00 57.72 58.87 1bgs n HIS 102 Cb 0.84 -3.70 -0.02 0.00 -0.00 0.00 0.00 29.99 27.11 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 -2.21 -1.07 -0.05 1.57 4.02 -1.26 -4.85 117.16 113.31 1bgs n TYR 103 Ca -0.10 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.60 1bgs n TYR 103 Cb 0.56 -2.89 -0.13 0.00 -0.02 0.00 0.00 39.34 36.87 1bgs n TYR 103 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 176.86 177.81 1bgs h GLN 104 N 0.00 0.09 -6.53 -0.72 4.20 -1.98 -3.48 115.11 106.69 1bgs h GLN 104 Ca -0.32 -0.16 -0.62 0.00 0.06 0.00 0.00 58.65 57.61 1bgs h GLN 104 Cb 1.15 0.06 -0.22 0.00 0.30 0.00 0.00 27.48 28.77 1bgs h GLN 104 CO 0.40 1.08 -0.85 0.99 -0.67 0.00 0.00 178.83 179.77 1bgs s THR 105 N -2.35 1.99 0.04 -0.54 2.01 -1.26 -5.11 115.64 110.42 1bgs s THR 105 Ca -0.22 -1.66 0.05 0.00 0.31 0.00 0.00 61.69 60.17 1bgs s THR 105 Cb 0.02 -1.78 -0.02 0.00 0.01 0.00 0.00 72.50 70.73 1bgs s THR 105 CO 0.69 0.01 -0.14 -0.36 -0.69 0.00 0.00 174.62 174.13 1bgs s PHE 106 N -1.12 1.22 -0.03 4.92 0.08 -1.26 -4.50 117.98 117.29 1bgs s PHE 106 Ca 0.10 -0.35 0.00 0.00 0.12 0.00 0.00 56.93 56.80 1bgs s PHE 106 Cb -0.10 -0.72 0.03 0.00 -0.57 0.00 0.00 43.02 41.65 1bgs s PHE 106 CO 0.05 0.03 0.01 0.99 -0.10 0.00 0.00 175.22 176.20 1bgs s THR 107 N -0.85 0.13 0.03 0.64 2.01 -0.67 -4.95 115.64 111.98 1bgs s THR 107 Ca 0.01 0.11 -0.30 0.00 0.31 0.00 0.00 61.69 61.82 1bgs s THR 107 Cb -0.08 -0.23 -0.06 0.00 0.01 0.00 0.00 72.50 72.15 1bgs s THR 107 CO 0.01 0.13 1.30 -0.75 -0.69 0.00 0.00 174.62 174.62 1bgs s LYS 108 N 1.00 4.35 0.00 4.92 2.20 -1.26 -0.85 119.74 130.10 1bgs s LYS 108 Ca -0.10 1.87 0.09 0.00 -0.36 0.00 0.00 55.97 57.48 1bgs s LYS 108 Cb -0.13 -3.44 -0.06 0.00 -1.51 0.00 0.00 37.83 32.69 1bgs s LYS 108 CO -0.02 -0.42 0.47 0.44 -0.36 0.00 0.00 175.35 175.46 1bgs n ILE 109 N 4.28 0.00 -1.63 5.43 -5.35 0.11 -4.90 119.36 117.30 1bgs n ILE 109 Ca 0.11 -0.33 0.00 0.00 -0.27 0.00 0.00 62.75 62.26 1bgs n ILE 109 Cb 0.45 1.04 0.00 0.00 -1.74 0.00 0.00 39.64 39.39 1bgs n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33