#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 1.42 -0.42 0.00 1.11 -1.26 -5.09 119.66 115.41 1bgs s GLN 2 Ca 0.00 -2.17 -0.12 0.00 0.01 0.00 0.00 55.36 53.09 1bgs s GLN 2 Cb 0.00 -2.45 0.06 0.00 -1.01 0.00 0.00 33.01 29.61 1bgs s GLN 2 CO 0.00 -1.18 0.29 0.08 0.01 0.00 0.00 175.29 174.49 1bgs s VAL 3 N 0.14 4.64 -0.32 1.09 1.01 -1.26 -4.52 120.40 121.18 1bgs s VAL 3 Ca 0.19 -1.15 -0.08 0.00 0.00 0.00 0.00 61.98 60.94 1bgs s VAL 3 Cb -0.21 -3.75 0.01 0.00 0.00 0.00 0.00 36.38 32.43 1bgs s VAL 3 CO -0.02 -0.46 0.13 -0.63 0.00 0.00 0.00 175.10 174.12 1bgs s ILE 4 N 1.53 4.27 -0.01 2.22 1.01 -1.26 -4.92 121.20 124.04 1bgs s ILE 4 Ca 0.03 -0.68 0.12 0.00 0.00 0.00 0.00 60.65 60.12 1bgs s ILE 4 Cb -0.22 -3.25 0.20 0.00 0.01 0.00 0.00 42.46 39.20 1bgs s ILE 4 CO 0.05 -0.01 1.08 -0.46 0.00 0.00 0.00 174.94 175.60 1bgs n ASN 5 N 4.92 0.58 -4.98 3.58 6.94 -1.26 -4.78 115.26 120.27 1bgs n ASN 5 Ca -0.14 -2.13 -0.20 0.00 -0.02 0.00 0.00 54.58 52.10 1bgs n ASN 5 Cb 0.48 -0.26 -0.01 0.00 -2.36 0.00 0.00 39.78 37.62 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 -0.26 4.74 0.09 5.53 -4.23 -1.26 -1.45 115.64 118.79 1bgs s THR 6 Ca 0.17 -0.96 -0.25 0.00 -1.18 0.00 0.00 61.69 59.47 1bgs s THR 6 Cb 0.19 -3.67 -0.13 0.00 1.34 0.00 0.00 72.50 70.23 1bgs s THR 6 CO -0.07 -0.27 1.70 -0.26 -0.54 0.00 0.00 174.62 175.18 1bgs h PHE 7 N 1.02 -0.25 0.00 3.99 0.04 -1.98 -1.15 116.94 118.60 1bgs h PHE 7 Ca -0.49 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.24 1bgs h PHE 7 Cb 1.24 0.10 -0.01 0.00 2.20 0.00 0.00 35.95 39.48 1bgs h PHE 7 CO 0.44 -0.15 -0.19 -0.44 -0.60 0.00 0.00 178.31 177.37 1bgs h ASP 8 N -0.23 0.00 0.82 2.17 3.32 -1.97 -0.47 116.42 120.06 1bgs h ASP 8 Ca 0.00 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 1bgs h ASP 8 Cb 0.21 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.77 1bgs h ASP 8 CO -0.02 0.19 -0.39 1.23 -1.72 0.00 0.00 179.24 178.53 1bgs h GLY 9 N 2.37 -1.15 2.00 2.75 0.00 -1.86 -2.20 103.07 104.98 1bgs h GLY 9 Ca -0.00 0.43 -0.12 0.00 0.00 0.00 0.00 47.33 47.63 1bgs h GLY 9 CO 0.03 -0.42 -0.58 -0.39 0.00 0.00 0.00 176.54 175.18 1bgs h VAL 10 N -1.26 1.07 -0.87 4.60 -1.51 -1.25 -2.58 116.25 114.45 1bgs h VAL 10 Ca -0.11 -2.30 -0.02 0.00 -1.23 0.00 0.00 66.70 63.04 1bgs h VAL 10 Cb 0.85 2.38 -0.04 0.00 -2.13 0.00 0.00 31.29 32.35 1bgs h VAL 10 CO 0.18 0.57 0.48 0.00 -1.23 0.00 0.00 177.57 177.57 1bgs h ALA 11 N 1.42 1.11 -0.12 5.19 0.00 -1.11 -1.63 119.26 124.13 1bgs h ALA 11 Ca -0.01 -0.13 -0.17 0.00 0.00 0.00 0.00 54.91 54.60 1bgs h ALA 11 Cb 1.34 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1bgs h ALA 11 CO 0.08 0.61 -0.66 -0.44 0.00 0.00 0.00 179.25 178.84 1bgs h ASP 12 N 1.21 0.53 -0.49 0.00 3.32 -1.24 -2.95 116.42 116.81 1bgs h ASP 12 Ca 0.31 -0.32 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 1bgs h ASP 12 Cb 0.02 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 1bgs h ASP 12 CO -0.05 1.04 0.28 0.22 -1.72 0.00 0.00 179.24 179.01 1bgs h TYR 13 N 0.33 0.66 -0.31 4.55 5.03 -1.04 -2.12 116.97 124.07 1bgs h TYR 13 Ca -0.02 -0.01 0.03 0.00 2.58 0.00 0.00 58.73 61.31 1bgs h TYR 13 Cb 1.22 -0.21 -0.03 0.00 1.55 0.00 0.00 36.73 39.26 1bgs h TYR 13 CO 0.04 0.48 0.14 -0.07 -1.32 0.00 0.00 178.16 177.43 1bgs h LEU 14 N 0.65 0.19 -1.41 2.82 3.38 -1.27 -0.09 115.31 119.58 1bgs h LEU 14 Ca 0.17 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.10 1bgs h LEU 14 Cb 0.03 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1bgs h LEU 14 CO -0.03 0.14 -0.29 1.56 0.09 0.00 0.00 178.44 179.92 1bgs h GLN 15 N 0.29 0.00 0.00 1.13 4.20 -1.47 0.51 115.11 119.77 1bgs h GLN 15 Ca 0.13 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.75 1bgs h GLN 15 Cb 0.07 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 1bgs h GLN 15 CO -0.11 0.29 -0.57 1.15 -0.67 0.00 0.00 178.83 178.92 1bgs h THR 16 N 0.00 0.85 -0.00 -0.54 2.02 -1.01 -3.41 112.91 110.81 1bgs h THR 16 Ca -0.00 -1.82 0.00 0.00 0.77 0.00 0.00 66.41 65.35 1bgs h THR 16 Cb 0.58 1.79 0.00 0.00 -1.74 0.00 0.00 68.15 68.79 1bgs h THR 16 CO 0.04 0.29 -0.72 -1.22 0.37 0.00 0.00 175.52 174.28 1bgs n TYR 17 N -4.57 0.00 -3.33 3.16 4.01 -0.08 -4.99 117.16 111.36 1bgs n TYR 17 Ca -0.16 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.34 1bgs n TYR 17 Cb 0.44 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.50 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 -1.01 -2.09 -3.81 -0.72 8.25 0.18 -4.96 115.22 111.06 1bgs n HIS 18 Ca 0.05 0.63 -0.10 0.00 -0.26 0.00 0.00 57.72 58.04 1bgs n HIS 18 Cb 0.32 -4.04 -0.06 0.00 1.12 0.00 0.00 29.99 27.34 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 -6.02 1.14 0.49 -0.41 -2.85 -1.26 -5.06 119.74 105.78 1bgs s LYS 19 Ca 0.43 -0.95 -0.17 0.00 -1.00 0.00 0.00 55.97 54.28 1bgs s LYS 19 Cb -0.20 0.43 -0.08 0.00 -2.06 0.00 0.00 37.83 35.91 1bgs s LYS 19 CO 0.53 -0.44 0.96 -0.51 0.10 0.00 0.00 175.35 175.99 1bgs s LEU 20 N -2.89 3.70 0.82 2.77 1.43 -1.26 -3.77 118.68 119.48 1bgs s LEU 20 Ca 0.10 1.55 -0.13 0.00 -1.03 0.00 0.00 54.13 54.61 1bgs s LEU 20 Cb 0.02 -4.47 0.09 0.00 0.03 0.00 0.00 46.19 41.86 1bgs s LEU 20 CO -0.05 -0.53 1.20 -2.16 0.23 0.00 0.00 176.35 175.03 1bgs s PRO 21 N -3.90 1.59 0.57 1.29 0.04 -1.26 -4.91 135.00 128.42 1bgs s PRO 21 Ca 0.59 1.73 0.38 0.00 0.04 0.00 0.00 61.00 63.74 1bgs s PRO 21 Cb -0.10 -1.77 2.03 0.00 0.04 0.00 0.00 34.50 34.70 1bgs s PRO 21 CO 0.28 -2.25 2.17 -0.44 0.04 0.00 0.00 177.00 176.80 1bgs h ASP 22 N -1.00 0.00 0.00 6.66 3.32 -1.95 -1.80 116.42 121.65 1bgs h ASP 22 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 1bgs h ASP 22 Cb 1.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.84 1bgs h ASP 22 CO 0.46 0.00 0.00 -0.46 -1.72 0.00 0.00 179.24 177.52 1bgs n ASN 23 N -2.87 0.01 -4.72 6.45 6.94 -1.26 -4.79 115.26 115.03 1bgs n ASN 23 Ca -0.02 -1.61 -0.35 0.00 -0.02 0.00 0.00 54.58 52.58 1bgs n ASN 23 Cb 0.08 -0.01 -0.09 0.00 -2.36 0.00 0.00 39.78 37.41 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 -1.99 3.31 0.06 -2.53 2.02 -0.68 -0.45 117.35 117.09 1bgs s TYR 24 Ca 0.00 0.24 0.05 0.00 -0.37 0.00 0.00 57.07 56.98 1bgs s TYR 24 Cb 0.00 -1.94 -0.03 0.00 -0.40 0.00 0.00 41.96 39.59 1bgs s TYR 24 CO 0.00 0.42 -0.13 0.96 -1.57 0.00 0.00 175.55 175.23 1bgs s ILE 25 N -0.44 1.02 0.80 2.71 -4.36 0.63 -4.84 121.20 116.72 1bgs s ILE 25 Ca 0.10 -1.15 -0.12 0.00 -0.26 0.00 0.00 60.65 59.22 1bgs s ILE 25 Cb -0.12 -0.97 0.07 0.00 1.25 0.00 0.00 42.46 42.69 1bgs s ILE 25 CO 0.02 -0.16 1.12 0.42 0.24 0.00 0.00 174.94 176.57 1bgs s THR 26 N -1.12 2.76 0.20 8.37 -4.23 -1.23 -1.33 115.64 119.07 1bgs s THR 26 Ca -0.02 0.25 -0.11 0.00 -1.18 0.00 0.00 61.69 60.64 1bgs s THR 26 Cb -0.09 -3.09 0.12 0.00 1.34 0.00 0.00 72.50 70.78 1bgs s THR 26 CO 0.02 -0.32 1.81 0.11 -0.54 0.00 0.00 174.62 175.69 1bgs h LYS 27 N -1.08 0.63 -0.19 3.99 1.57 -1.97 -0.88 116.57 118.64 1bgs h LYS 27 Ca -0.47 -0.04 0.05 0.00 -1.87 0.00 0.00 60.65 58.32 1bgs h LYS 27 Cb 1.29 -0.14 -0.07 0.00 0.08 0.00 0.00 32.23 33.39 1bgs h LYS 27 CO 0.62 0.41 -0.33 0.66 -0.57 0.00 0.00 179.45 180.24 1bgs h SER 28 N 0.65 -1.06 -0.89 0.86 4.64 -1.98 -0.21 113.55 115.55 1bgs h SER 28 Ca 0.27 0.16 0.09 0.00 -0.47 0.00 0.00 61.79 61.84 1bgs h SER 28 Cb 0.15 0.46 -0.07 0.00 -0.31 0.00 0.00 62.40 62.62 1bgs h SER 28 CO -0.16 -0.36 0.53 -0.33 -0.87 0.00 0.00 176.83 175.64 1bgs h GLU 29 N -0.38 0.87 0.00 4.77 5.08 -1.73 -0.53 114.58 122.67 1bgs h GLU 29 Ca 0.11 -0.05 -0.13 0.00 -1.00 0.00 0.00 59.36 58.29 1bgs h GLU 29 Cb 0.55 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 1bgs h GLU 29 CO -0.40 0.58 -0.62 0.00 -1.00 0.00 0.00 179.01 177.57 1bgs h ALA 30 N 1.47 0.86 -0.00 3.43 0.00 -0.99 -2.90 119.26 121.12 1bgs h ALA 30 Ca 0.42 -0.56 -0.20 0.00 0.00 0.00 0.00 54.91 54.57 1bgs h ALA 30 Cb 0.35 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1bgs h ALA 30 CO -0.23 0.77 -0.86 1.96 0.00 0.00 0.00 179.25 180.89 1bgs h GLN 31 N 0.00 0.21 0.00 0.00 4.20 0.18 -0.47 115.11 119.23 1bgs h GLN 31 Ca -0.01 -0.22 0.00 0.00 0.06 0.00 0.00 58.65 58.48 1bgs h GLN 31 Cb 1.18 0.06 0.00 0.00 0.30 0.00 0.00 27.48 29.02 1bgs h GLN 31 CO 0.08 0.95 0.00 0.00 -0.67 0.00 0.00 178.83 179.19 1bgs h ALA 32 N 0.97 1.00 -0.02 3.87 0.00 -0.95 -2.14 119.26 121.99 1bgs h ALA 32 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1bgs h ALA 32 Cb 1.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.27 1bgs h ALA 32 CO 0.13 0.00 -0.33 1.28 0.00 0.00 0.00 179.25 180.33 1bgs n LEU 33 N -2.71 2.25 0.00 0.00 4.77 -1.16 -4.98 117.00 115.17 1bgs n LEU 33 Ca 0.00 -0.83 0.00 0.00 -0.03 0.00 0.00 56.01 55.16 1bgs n LEU 33 Cb 0.21 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1bgs n LEU 33 CO 0.21 0.40 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 1bgs n GLY 34 N 1.36 1.07 3.69 -0.72 0.00 -0.81 -4.88 105.19 104.91 1bgs n GLY 34 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 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 2.99 -0.21 1.61 -0.00 -0.20 -4.95 118.94 116.19 1bgs s TRP 35 Ca 0.00 0.98 0.01 0.00 -0.00 0.00 0.00 56.10 57.09 1bgs s TRP 35 Cb 0.00 -3.57 0.04 0.00 -0.00 0.00 0.00 33.47 29.95 1bgs s TRP 35 CO 0.00 -2.00 -0.12 0.14 -0.00 0.00 0.00 176.95 174.98 1bgs s VAL 36 N 2.29 1.81 0.40 5.86 -7.23 -1.26 -4.52 120.40 117.75 1bgs s VAL 36 Ca 0.61 -1.15 0.17 0.00 -1.81 0.00 0.00 61.98 59.80 1bgs s VAL 36 Cb -0.29 -1.87 0.38 0.00 0.56 0.00 0.00 36.38 35.17 1bgs s VAL 36 CO 0.25 0.17 1.80 0.00 -0.31 0.00 0.00 175.10 177.01 1bgs h ALA 37 N 7.92 2.17 0.00 1.32 0.00 -1.99 0.82 119.26 129.51 1bgs h ALA 37 Ca -0.28 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 1bgs h ALA 37 Cb 1.09 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1bgs h ALA 37 CO 0.49 -0.53 -0.23 0.66 0.00 0.00 0.00 179.25 179.65 1bgs h SER 38 N 0.44 0.00 0.09 0.00 4.64 -2.02 -2.71 113.55 113.99 1bgs h SER 38 Ca 0.55 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.63 1bgs h SER 38 Cb 1.32 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.42 1bgs h SER 38 CO -0.26 0.23 -0.91 0.11 -0.87 0.00 0.00 176.83 175.14 1bgs h LYS 39 N 0.00 0.61 -0.46 4.77 1.57 -1.28 -3.48 116.57 118.30 1bgs h LYS 39 Ca -0.00 -0.59 -0.01 0.00 -1.87 0.00 0.00 60.65 58.18 1bgs h LYS 39 Cb 1.02 0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.48 1bgs h LYS 39 CO 0.03 1.20 -0.01 0.41 -0.57 0.00 0.00 179.45 180.51 1bgs n GLY 40 N 0.88 0.57 2.26 3.86 0.00 -0.90 -4.98 105.19 106.89 1bgs n GLY 40 Ca -0.08 -0.79 -0.32 0.00 0.00 0.00 0.00 46.02 44.82 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 1.72 7.07 -0.01 1.61 6.94 -1.26 -3.97 115.26 127.36 1bgs n ASN 41 Ca -0.00 -3.78 -0.13 0.00 -0.02 0.00 0.00 54.58 50.65 1bgs n ASN 41 Cb 0.50 -0.87 -0.10 0.00 -2.36 0.00 0.00 39.78 36.95 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 1.97 -0.05 -1.83 -4.53 6.46 -1.91 -2.00 115.31 113.42 1bgs h LEU 42 Ca 0.57 -0.59 -0.02 0.00 -0.12 0.00 0.00 57.88 57.72 1bgs h LEU 42 Cb 1.01 0.01 -0.00 0.00 -0.73 0.00 0.00 40.66 40.95 1bgs h LEU 42 CO 1.44 0.60 -0.09 0.00 -0.62 0.00 0.00 178.44 179.77 1bgs h ALA 43 N 0.14 1.83 -0.01 1.25 0.00 -1.85 0.79 119.26 121.42 1bgs h ALA 43 Ca -0.01 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 1bgs h ALA 43 Cb 0.64 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1bgs h ALA 43 CO 0.01 0.12 -0.58 -0.44 0.00 0.00 0.00 179.25 178.35 1bgs h ASP 44 N 0.00 0.04 0.02 0.00 5.19 -1.86 -2.35 116.42 117.47 1bgs h ASP 44 Ca -0.00 -0.02 -0.16 0.00 -0.62 0.00 0.00 57.03 56.22 1bgs h ASP 44 Cb 0.16 -0.01 -0.03 0.00 0.18 0.00 0.00 39.33 39.63 1bgs h ASP 44 CO 0.01 0.61 -2.15 1.33 -3.12 0.00 0.00 179.24 175.93 1bgs n VAL 45 N -3.86 0.63 -3.17 -1.35 0.24 0.25 -4.71 118.33 106.36 1bgs n VAL 45 Ca -0.01 -0.66 -0.19 0.00 -2.04 0.00 0.00 64.34 61.43 1bgs n VAL 45 Cb 0.59 -0.22 -0.06 0.00 -1.47 0.00 0.00 33.84 32.68 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 -2.47 1.27 -1.78 2.33 0.00 0.25 -4.99 120.51 115.12 1bgs n ALA 46 Ca -0.17 -2.42 -0.41 0.00 0.00 0.00 0.00 53.44 50.45 1bgs n ALA 46 Cb 0.83 -1.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.28 1bgs n ALA 46 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1bgs s PRO 47 N 0.30 4.11 -0.15 0.00 0.02 -0.88 -2.30 135.00 136.10 1bgs s PRO 47 Ca 0.32 2.49 0.00 0.00 0.02 0.00 0.00 61.00 63.83 1bgs s PRO 47 Cb 0.03 -2.95 0.00 0.00 0.02 0.00 0.00 34.50 31.60 1bgs s PRO 47 CO -0.15 -0.50 0.00 0.41 -0.33 0.00 0.00 177.00 176.43 1bgs n GLY 48 N 0.53 0.46 3.66 0.52 0.00 -1.26 -5.00 105.19 104.10 1bgs n GLY 48 Ca 0.01 -0.17 -0.24 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.04 2.37 0.08 1.61 -0.14 -0.97 -4.71 119.74 116.94 1bgs s LYS 49 Ca 0.00 -1.30 -0.00 0.00 -1.36 0.00 0.00 55.97 53.31 1bgs s LYS 49 Cb 0.00 -2.25 -0.04 0.00 -1.68 0.00 0.00 37.83 33.86 1bgs s LYS 49 CO 0.00 0.39 -0.02 -1.12 -0.76 0.00 0.00 175.35 173.84 1bgs s SER 50 N -3.49 0.64 -0.08 2.83 0.01 0.40 -4.83 113.70 109.19 1bgs s SER 50 Ca 0.30 -1.04 -0.28 0.00 1.31 0.00 0.00 55.95 56.25 1bgs s SER 50 Cb -0.07 0.19 -0.02 0.00 0.21 0.00 0.00 66.02 66.32 1bgs s SER 50 CO 0.20 -0.59 0.93 -0.63 0.41 0.00 0.00 173.24 173.56 1bgs s ILE 51 N -3.86 4.86 -0.11 1.44 -1.09 -1.26 -0.27 121.20 120.91 1bgs s ILE 51 Ca 0.11 1.89 -0.32 0.00 -2.23 0.00 0.00 60.65 60.10 1bgs s ILE 51 Cb 0.07 -4.25 0.12 0.00 -1.58 0.00 0.00 42.46 36.83 1bgs s ILE 51 CO -0.07 0.09 1.10 -0.83 -1.23 0.00 0.00 174.94 174.00 1bgs s GLY 52 N 1.04 -0.36 0.00 6.18 0.00 -0.44 -1.49 107.32 112.26 1bgs s GLY 52 Ca 0.46 1.32 0.00 0.00 0.00 0.00 0.00 44.72 46.50 1bgs s GLY 52 CO 0.20 0.43 0.00 0.61 0.00 0.00 0.00 173.10 174.34 1bgs n GLY 53 N -0.17 1.92 3.77 0.20 0.00 0.97 -3.50 105.19 108.38 1bgs n GLY 53 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.65 6.81 0.06 1.61 1.01 -1.22 -4.63 116.67 118.67 1bgs s ASP 54 Ca 0.00 2.64 -0.37 0.00 0.71 0.00 0.00 52.55 55.53 1bgs s ASP 54 Cb 0.00 -2.64 -0.18 0.00 1.01 0.00 0.00 42.92 41.10 1bgs s ASP 54 CO 0.00 -0.51 1.16 -0.38 0.21 0.00 0.00 175.17 175.65 1bgs n ILE 55 N 0.96 0.20 -3.91 0.77 2.08 -1.26 -0.65 119.36 117.55 1bgs n ILE 55 Ca 0.00 -0.05 -0.36 0.00 0.56 0.00 0.00 62.75 62.91 1bgs n ILE 55 Cb 0.42 -0.42 -0.13 0.00 -0.75 0.00 0.00 39.64 38.76 1bgs n ILE 55 CO 0.00 0.00 0.00 0.12 0.56 0.00 0.00 176.55 177.23 1bgs s PHE 56 N 0.12 3.03 -2.53 1.39 5.36 -0.33 -4.76 117.98 120.27 1bgs s PHE 56 Ca 0.85 -0.58 0.27 0.00 -0.96 0.00 0.00 56.93 56.52 1bgs s PHE 56 Cb -1.08 -2.15 0.98 0.00 -0.34 0.00 0.00 43.02 40.43 1bgs s PHE 56 CO 0.52 -0.37 1.70 0.43 -1.46 0.00 0.00 175.22 176.05 1bgs n SER 57 N 4.65 1.62 -3.74 6.13 7.64 -1.26 -4.24 113.62 124.41 1bgs n SER 57 Ca -0.17 -1.54 -0.26 0.00 1.01 0.00 0.00 58.87 57.91 1bgs n SER 57 Cb 0.51 -0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.73 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 0.27 -2.79 0.24 6.43 5.15 -1.26 -4.84 115.26 118.45 1bgs n ASN 58 Ca 0.19 -0.94 0.10 0.00 -0.60 0.00 0.00 54.58 53.32 1bgs n ASN 58 Cb 0.37 -3.59 0.62 0.00 -0.53 0.00 0.00 39.78 36.64 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 -1.83 0.00 -0.08 1.20 3.08 -2.01 0.03 114.38 114.78 1bgs h ARG 59 Ca -0.64 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.41 1bgs h ARG 59 Cb 1.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.41 1bgs h ARG 59 CO 0.54 0.17 0.00 0.39 -1.07 0.00 0.00 179.97 180.01 1bgs n GLU 60 N -3.82 1.97 -2.41 0.04 -0.58 -1.26 -4.95 120.64 109.64 1bgs n GLU 60 Ca -0.02 -1.43 -0.17 0.00 -0.42 0.00 0.00 57.16 55.13 1bgs n GLU 60 Cb 0.27 -1.46 -0.00 0.00 -0.57 0.00 0.00 31.44 29.68 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 1.26 -0.31 0.10 0.62 0.00 -0.00 -4.90 105.19 101.96 1bgs n GLY 61 Ca 0.17 -0.16 -0.02 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.19 0.00 -6.01 1.61 1.57 -1.93 -3.45 116.57 108.17 1bgs h LYS 62 Ca -0.40 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 57.77 1bgs h LYS 62 Cb 1.29 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.56 1bgs h LYS 62 CO 0.47 0.53 -0.32 -0.51 -0.57 0.00 0.00 179.45 179.05 1bgs s LEU 63 N -6.25 4.36 0.25 2.94 1.43 -1.26 -5.03 118.68 115.12 1bgs s LEU 63 Ca 0.00 0.66 -0.31 0.00 -1.03 0.00 0.00 54.13 53.46 1bgs s LEU 63 Cb 0.08 -2.85 -0.11 0.00 0.03 0.00 0.00 46.19 43.35 1bgs s LEU 63 CO 0.79 0.21 1.61 -2.16 0.23 0.00 0.00 176.35 177.03 1bgs s PRO 64 N -1.87 4.15 0.19 1.29 0.04 -1.26 -5.01 135.00 132.53 1bgs s PRO 64 Ca 0.31 2.54 0.06 0.00 0.04 0.00 0.00 61.00 63.95 1bgs s PRO 64 Cb -0.13 -3.06 -0.04 0.00 0.04 0.00 0.00 34.50 31.31 1bgs s PRO 64 CO 0.18 -0.64 0.11 0.20 0.04 0.00 0.00 177.00 176.88 1bgs s GLY 65 N 0.73 1.64 -0.08 0.56 0.00 -1.26 -5.10 107.32 103.82 1bgs s GLY 65 Ca 0.67 -1.33 -0.24 0.00 0.00 0.00 0.00 44.72 43.82 1bgs s GLY 65 CO 0.41 -1.35 0.55 1.25 0.00 0.00 0.00 173.10 173.96 1bgs s LYS 66 N -3.28 0.86 -0.15 2.90 2.20 -1.26 -5.06 119.74 115.94 1bgs s LYS 66 Ca 0.31 0.25 -0.29 0.00 -0.36 0.00 0.00 55.97 55.87 1bgs s LYS 66 Cb -0.09 0.40 -0.04 0.00 -1.51 0.00 0.00 37.83 36.59 1bgs s LYS 66 CO 0.22 -0.23 1.70 -1.12 -0.36 0.00 0.00 175.35 175.56 1bgs s SER 67 N -0.90 6.39 0.00 1.43 0.01 -1.26 -1.48 113.70 117.89 1bgs s SER 67 Ca -0.09 1.90 0.00 0.00 1.31 0.00 0.00 55.95 59.07 1bgs s SER 67 Cb -0.02 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.68 1bgs s SER 67 CO 0.06 -1.20 0.00 0.61 0.41 0.00 0.00 173.24 173.12 1bgs n GLY 68 N 4.58 1.53 3.65 3.44 0.00 -1.26 -5.08 105.19 112.05 1bgs n GLY 68 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.04 4.17 -0.11 1.61 3.52 -0.55 -4.94 118.95 122.61 1bgs s ARG 69 Ca 0.00 1.19 -0.05 0.00 -0.13 0.00 0.00 55.73 56.74 1bgs s ARG 69 Cb 0.00 -3.68 -0.04 0.00 -1.56 0.00 0.00 34.95 29.67 1bgs s ARG 69 CO 0.00 -0.73 0.10 0.99 -0.81 0.00 0.00 175.30 174.85 1bgs s THR 70 N 3.34 5.13 0.06 4.11 2.01 -1.26 -4.70 115.64 124.33 1bgs s THR 70 Ca 0.44 0.07 0.04 0.00 0.31 0.00 0.00 61.69 62.54 1bgs s THR 70 Cb -0.14 -3.21 -0.04 0.00 0.01 0.00 0.00 72.50 69.12 1bgs s THR 70 CO 0.10 0.61 -0.01 0.26 -0.69 0.00 0.00 174.62 174.90 1bgs s TRP 71 N -0.97 3.00 0.17 4.92 0.52 -1.26 -1.13 118.94 124.19 1bgs s TRP 71 Ca 0.14 -0.00 0.01 0.00 0.02 0.00 0.00 56.10 56.26 1bgs s TRP 71 Cb -0.12 -1.57 -0.04 0.00 -1.15 0.00 0.00 33.47 30.59 1bgs s TRP 71 CO 0.03 0.47 0.04 1.03 0.02 0.00 0.00 176.95 178.54 1bgs s ARG 72 N -2.06 1.10 0.12 4.98 0.52 -0.31 -1.19 118.95 122.12 1bgs s ARG 72 Ca 0.24 -1.54 -0.02 0.00 -0.52 0.00 0.00 55.73 53.88 1bgs s ARG 72 Cb -0.12 -0.06 -0.04 0.00 0.52 0.00 0.00 34.95 35.26 1bgs s ARG 72 CO 0.15 -0.22 0.07 -1.83 0.02 0.00 0.00 175.30 173.50 1bgs s GLU 73 N -4.00 0.91 -0.16 3.54 -1.05 0.18 -1.45 118.70 116.67 1bgs s GLU 73 Ca 0.27 -1.38 -0.27 0.00 -0.15 0.00 0.00 54.97 53.45 1bgs s GLU 73 Cb 0.07 0.25 0.07 0.00 -0.44 0.00 0.00 34.13 34.08 1bgs s GLU 73 CO 0.05 -0.26 0.68 0.00 0.95 0.00 0.00 175.26 176.69 1bgs s ALA 74 N -4.02 -1.73 0.37 -0.84 0.00 -0.47 -0.02 121.76 115.05 1bgs s ALA 74 Ca 0.21 1.63 -0.27 0.00 0.00 0.00 0.00 51.96 53.53 1bgs s ALA 74 Cb 0.07 -0.59 -0.09 0.00 0.00 0.00 0.00 23.12 22.50 1bgs s ALA 74 CO -0.00 -0.35 1.31 -0.51 0.00 0.00 0.00 175.76 176.21 1bgs s ASP 75 N -0.39 6.53 0.03 0.00 1.11 -0.55 -0.96 116.67 122.44 1bgs s ASP 75 Ca -0.05 2.67 0.06 0.00 0.18 0.00 0.00 52.55 55.40 1bgs s ASP 75 Cb -0.03 -2.64 -0.02 0.00 1.07 0.00 0.00 42.92 41.30 1bgs s ASP 75 CO 0.05 -0.70 -0.17 -0.63 1.18 0.00 0.00 175.17 174.91 1bgs s ILE 76 N -1.21 1.32 -0.97 0.77 -1.09 -0.57 -4.69 121.20 114.76 1bgs s ILE 76 Ca 0.53 -0.97 -0.03 0.00 -2.23 0.00 0.00 60.65 57.95 1bgs s ILE 76 Cb -0.39 -1.15 0.00 0.00 -1.58 0.00 0.00 42.46 39.34 1bgs s ILE 76 CO 0.51 0.16 0.44 0.59 -1.23 0.00 0.00 174.94 175.41 1bgs n ASN 77 N 2.10 -4.51 -4.83 3.58 3.02 -0.53 -4.50 115.26 109.60 1bgs n ASN 77 Ca -0.17 -0.20 -0.37 0.00 -0.03 0.00 0.00 54.58 53.81 1bgs n ASN 77 Cb 0.54 -3.34 -0.06 0.00 -0.61 0.00 0.00 39.78 36.31 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 -2.98 3.57 0.08 3.10 5.04 -1.26 -4.95 117.35 119.95 1bgs s TYR 78 Ca 0.22 0.58 0.00 0.00 -2.44 0.00 0.00 57.07 55.43 1bgs s TYR 78 Cb -0.10 -2.09 0.00 0.00 0.35 0.00 0.00 41.96 40.12 1bgs s TYR 78 CO 0.27 0.58 0.00 2.41 -1.34 0.00 0.00 175.55 177.47 1bgs n THR 79 N 2.44 0.92 -3.83 4.34 -1.04 -1.26 -4.93 114.28 110.92 1bgs n THR 79 Ca -0.17 0.31 -0.05 0.00 -2.04 0.00 0.00 64.05 62.10 1bgs n THR 79 Cb 0.54 -1.56 0.01 0.00 -1.82 0.00 0.00 70.33 67.50 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 -5.74 -0.06 0.31 8.00 1.04 -1.26 -4.78 113.70 111.21 1bgs s SER 80 Ca 0.00 -0.71 0.00 0.00 0.48 0.00 0.00 55.95 55.72 1bgs s SER 80 Cb 0.00 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.71 1bgs s SER 80 CO 0.00 -1.15 0.00 0.61 0.98 0.00 0.00 173.24 173.68 1bgs n GLY 81 N -0.59 0.90 3.89 7.32 0.00 -1.25 -4.83 105.19 110.62 1bgs n GLY 81 Ca -0.05 -0.81 -0.29 0.00 0.00 0.00 0.00 46.02 44.87 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 3.51 0.56 1.61 0.08 -1.26 -4.59 117.98 117.89 1bgs s PHE 82 Ca 0.00 0.95 -0.20 0.00 0.12 0.00 0.00 56.93 57.80 1bgs s PHE 82 Cb 0.00 -2.39 -0.05 0.00 -0.57 0.00 0.00 43.02 40.02 1bgs s PHE 82 CO 0.00 -0.19 1.22 1.03 -0.10 0.00 0.00 175.22 177.18 1bgs s ARG 83 N -4.24 3.18 0.44 0.44 0.52 -1.26 -4.97 118.95 113.06 1bgs s ARG 83 Ca 0.50 1.88 0.06 0.00 -0.52 0.00 0.00 55.73 57.64 1bgs s ARG 83 Cb -0.10 -2.08 0.06 0.00 0.52 0.00 0.00 34.95 33.35 1bgs s ARG 83 CO 0.37 -1.05 0.52 0.27 0.02 0.00 0.00 175.30 175.43 1bgs n ASN 84 N -1.26 1.88 -0.62 0.23 0.23 -1.26 -5.05 115.26 109.41 1bgs n ASN 84 Ca 0.12 -2.28 0.04 0.00 -0.53 0.00 0.00 54.58 51.92 1bgs n ASN 84 Cb 0.49 -0.23 0.13 0.00 -2.08 0.00 0.00 39.78 38.08 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 -2.28 1.74 -4.66 0.53 3.41 -1.26 -4.97 113.62 106.14 1bgs n SER 85 Ca 0.08 -2.08 -0.35 0.00 -0.26 0.00 0.00 58.87 56.26 1bgs n SER 85 Cb 0.47 -0.27 -0.10 0.00 -0.26 0.00 0.00 64.21 64.05 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 -0.83 5.10 0.06 4.04 1.01 -1.26 -2.41 116.67 122.39 1bgs s ASP 86 Ca 0.18 0.11 -0.15 0.00 0.71 0.00 0.00 52.55 53.40 1bgs s ASP 86 Cb 0.11 -1.40 0.03 0.00 1.01 0.00 0.00 42.92 42.66 1bgs s ASP 86 CO 0.11 0.37 0.34 -0.13 0.21 0.00 0.00 175.17 176.07 1bgs s ARG 87 N -0.88 0.90 0.02 8.23 1.81 -0.23 -1.50 118.95 127.29 1bgs s ARG 87 Ca 0.13 -0.55 0.07 0.00 -1.72 0.00 0.00 55.73 53.66 1bgs s ARG 87 Cb -0.11 0.39 -0.03 0.00 -0.45 0.00 0.00 34.95 34.75 1bgs s ARG 87 CO 0.02 -0.31 -0.19 -1.50 -0.68 0.00 0.00 175.30 172.64 1bgs s ILE 88 N -2.92 2.67 -0.05 1.52 2.07 -0.14 -1.10 121.20 123.25 1bgs s ILE 88 Ca -0.02 -1.13 0.01 0.00 -1.41 0.00 0.00 60.65 58.10 1bgs s ILE 88 Cb 0.00 -2.08 0.02 0.00 0.13 0.00 0.00 42.46 40.53 1bgs s ILE 88 CO -0.06 0.41 -0.05 -0.76 -1.91 0.00 0.00 174.94 172.57 1bgs s LEU 89 N -1.20 1.30 -0.00 8.50 1.02 0.40 -1.37 118.68 127.32 1bgs s LEU 89 Ca 0.13 -0.15 0.03 0.00 0.02 0.00 0.00 54.13 54.16 1bgs s LEU 89 Cb -0.10 -0.49 -0.01 0.00 0.02 0.00 0.00 46.19 45.60 1bgs s LEU 89 CO 0.03 -0.06 -0.08 -0.72 0.02 0.00 0.00 176.35 175.54 1bgs s TYR 90 N 0.99 0.75 0.40 0.29 1.13 -0.53 0.03 117.35 120.40 1bgs s TYR 90 Ca -0.10 -0.16 0.05 0.00 -1.41 0.00 0.00 57.07 55.45 1bgs s TYR 90 Cb -0.14 -0.48 0.00 0.00 -1.10 0.00 0.00 41.96 40.24 1bgs s TYR 90 CO -0.00 -0.01 0.57 -1.54 -2.51 0.00 0.00 175.55 172.05 1bgs s SER 91 N -0.30 5.78 0.35 -0.18 1.04 -0.37 -1.16 113.70 118.87 1bgs s SER 91 Ca 0.02 -0.14 0.26 0.00 0.48 0.00 0.00 55.95 56.58 1bgs s SER 91 Cb -0.04 -1.10 1.18 0.00 0.10 0.00 0.00 66.02 66.17 1bgs s SER 91 CO -0.00 -0.65 1.79 0.77 0.98 0.00 0.00 173.24 176.13 1bgs h SER 92 N 0.64 0.00 -0.51 7.02 4.64 -1.48 0.39 113.55 124.25 1bgs h SER 92 Ca -0.44 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 60.70 1bgs h SER 92 Cb 1.27 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.25 1bgs h SER 92 CO 0.52 0.00 0.12 -0.90 -0.87 0.00 0.00 176.83 175.70 1bgs n ASP 93 N -2.44 3.64 -3.14 4.97 5.75 -1.26 -4.98 116.55 119.10 1bgs n ASP 93 Ca 0.01 -3.40 -0.23 0.00 -0.01 0.00 0.00 54.79 51.16 1bgs n ASP 93 Cb 0.19 -0.66 0.04 0.00 -1.03 0.00 0.00 41.12 39.65 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 -0.70 -2.10 -2.58 2.11 7.02 0.14 -5.02 117.44 116.30 1bgs n TRP 94 Ca 0.35 0.59 -0.41 0.00 -1.02 0.00 0.00 57.50 57.02 1bgs n TRP 94 Cb 1.17 -4.48 -0.05 0.00 -2.42 0.00 0.00 31.31 25.53 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 -6.78 4.54 -0.04 -0.99 1.02 -1.26 -4.86 118.68 110.31 1bgs s LEU 95 Ca 0.36 2.06 0.06 0.00 0.02 0.00 0.00 54.13 56.62 1bgs s LEU 95 Cb -0.16 -3.61 -0.01 0.00 0.02 0.00 0.00 46.19 42.43 1bgs s LEU 95 CO 0.44 -0.11 -0.21 -0.63 0.02 0.00 0.00 176.35 175.87 1bgs s ILE 96 N -0.60 1.68 0.10 -0.59 -1.09 -1.26 -1.23 121.20 118.21 1bgs s ILE 96 Ca 0.46 -0.88 0.02 0.00 -2.23 0.00 0.00 60.65 58.03 1bgs s ILE 96 Cb -0.28 -1.42 -0.04 0.00 -1.58 0.00 0.00 42.46 39.13 1bgs s ILE 96 CO 0.35 0.48 -0.08 -0.31 -1.23 0.00 0.00 174.94 174.15 1bgs s TYR 97 N -0.23 0.96 0.09 3.97 1.51 0.10 -1.22 117.35 122.53 1bgs s TYR 97 Ca 0.01 -0.84 0.03 0.00 -1.01 0.00 0.00 57.07 55.26 1bgs s TYR 97 Cb -0.11 -0.54 -0.04 0.00 -0.11 0.00 0.00 41.96 41.17 1bgs s TYR 97 CO 0.01 -0.09 -0.09 -1.59 -1.11 0.00 0.00 175.55 172.68 1bgs s LYS 98 N -3.62 0.79 -0.02 -0.62 -2.85 -0.15 -0.45 119.74 112.82 1bgs s LYS 98 Ca 0.11 -1.13 0.02 0.00 -1.00 0.00 0.00 55.97 53.97 1bgs s LYS 98 Cb 0.03 -0.43 0.01 0.00 -2.06 0.00 0.00 37.83 35.38 1bgs s LYS 98 CO -0.03 0.06 -0.05 -0.08 0.10 0.00 0.00 175.35 175.34 1bgs s THR 99 N -2.50 0.49 -0.82 3.79 -1.32 -0.26 -0.89 115.64 114.12 1bgs s THR 99 Ca 0.04 -0.20 0.07 0.00 -1.21 0.00 0.00 61.69 60.40 1bgs s THR 99 Cb -0.02 -0.45 0.11 0.00 -1.51 0.00 0.00 72.50 70.62 1bgs s THR 99 CO -0.01 0.17 0.88 0.35 -2.21 0.00 0.00 174.62 173.80 1bgs n THR 100 N 3.37 0.33 -2.35 5.08 -2.24 -1.26 -1.07 114.28 116.14 1bgs n THR 100 Ca -0.18 -0.66 -0.21 0.00 -2.27 0.00 0.00 64.05 60.73 1bgs n THR 100 Cb 0.55 0.94 0.02 0.00 -2.10 0.00 0.00 70.33 69.74 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 0.34 4.10 -3.74 3.42 5.68 -1.24 -4.61 116.55 120.49 1bgs n ASP 101 Ca 0.05 -3.43 -0.30 0.00 -0.50 0.00 0.00 54.79 50.61 1bgs n ASP 101 Cb 0.24 -0.42 0.03 0.00 -1.14 0.00 0.00 41.12 39.84 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 -0.55 -1.85 -1.67 2.11 -0.00 -1.01 -3.08 115.22 109.17 1bgs n HIS 102 Ca 0.34 0.51 -0.17 0.00 -0.00 0.00 0.00 57.72 58.41 1bgs n HIS 102 Cb 0.82 -3.52 -0.06 0.00 -0.00 0.00 0.00 29.99 27.23 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 -4.25 -0.18 0.07 1.57 4.01 -1.26 -4.91 117.16 112.21 1bgs n TYR 103 Ca -0.14 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.42 1bgs n TYR 103 Cb 0.61 -2.98 -0.14 0.00 -0.31 0.00 0.00 39.34 36.51 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 0.29 -4.57 -0.72 4.20 -1.97 -3.47 115.11 108.88 1bgs h GLN 104 Ca -0.35 -0.50 -0.24 0.00 0.06 0.00 0.00 58.65 57.62 1bgs h GLN 104 Cb 1.13 0.19 -0.18 0.00 0.30 0.00 0.00 27.48 28.92 1bgs h GLN 104 CO 0.49 1.17 -0.71 0.95 -0.67 0.00 0.00 178.83 180.06 1bgs s THR 105 N -2.61 0.58 0.03 -0.54 -4.23 -1.26 -5.12 115.64 102.49 1bgs s THR 105 Ca -0.10 -1.48 0.01 0.00 -1.18 0.00 0.00 61.69 58.93 1bgs s THR 105 Cb 0.06 -1.11 -0.02 0.00 1.34 0.00 0.00 72.50 72.77 1bgs s THR 105 CO 0.86 -0.63 -0.05 -0.36 -0.54 0.00 0.00 174.62 173.90 1bgs s PHE 106 N -2.49 0.45 -0.11 3.99 0.40 -1.26 -4.54 117.98 114.41 1bgs s PHE 106 Ca 0.00 -0.56 0.03 0.00 -0.60 0.00 0.00 56.93 55.80 1bgs s PHE 106 Cb -0.02 -0.29 0.01 0.00 0.51 0.00 0.00 43.02 43.23 1bgs s PHE 106 CO -0.02 -0.16 -0.19 0.99 0.70 0.00 0.00 175.22 176.54 1bgs s THR 107 N -1.61 1.73 -0.17 0.64 2.01 -0.07 -4.92 115.64 113.24 1bgs s THR 107 Ca -0.12 -0.80 -0.29 0.00 0.31 0.00 0.00 61.69 60.79 1bgs s THR 107 Cb -0.09 -1.54 -0.03 0.00 0.01 0.00 0.00 72.50 70.85 1bgs s THR 107 CO -0.01 0.49 1.60 -0.75 -0.69 0.00 0.00 174.62 175.26 1bgs s LYS 108 N 0.74 3.93 -0.00 4.92 2.20 -1.26 -0.98 119.74 129.29 1bgs s LYS 108 Ca -0.11 1.81 0.10 0.00 -0.36 0.00 0.00 55.97 57.41 1bgs s LYS 108 Cb -0.16 -4.00 -0.11 0.00 -1.51 0.00 0.00 37.83 32.05 1bgs s LYS 108 CO 0.02 -1.13 0.42 0.44 -0.36 0.00 0.00 175.35 174.73 1bgs n ILE 109 N 6.08 0.00 -1.27 5.43 -5.35 -0.36 -4.96 119.36 118.93 1bgs n ILE 109 Ca 0.18 -0.26 0.00 0.00 -0.27 0.00 0.00 62.75 62.40 1bgs n ILE 109 Cb 0.44 0.98 0.00 0.00 -1.74 0.00 0.00 39.64 39.33 1bgs n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33