#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gul s ASN 2 N 0.00 -0.07 0.30 6.12 2.20 -1.26 -5.04 114.94 117.19 3gul s ASN 2 Ca 0.00 -0.93 0.02 0.00 -0.94 0.00 0.00 52.86 51.02 3gul s ASN 2 Cb 0.00 0.78 0.59 0.00 -2.00 0.00 0.00 41.25 40.62 3gul s ASN 2 CO 0.00 -1.50 1.85 -0.29 -2.94 0.00 0.00 177.10 174.23 3gul h ILE 3 N 2.02 0.93 -0.17 0.54 6.09 -2.00 -0.57 117.51 124.36 3gul h ILE 3 Ca -0.26 -0.33 -0.05 0.00 -1.37 0.00 0.00 64.86 62.85 3gul h ILE 3 Cb 1.25 -0.11 -0.00 0.00 0.47 0.00 0.00 36.82 38.43 3gul h ILE 3 CO 0.33 0.17 -0.08 -0.26 -3.07 0.00 0.00 178.15 175.24 3gul h PHE 4 N 0.96 0.40 -0.92 2.19 0.04 -1.99 -0.93 116.94 116.70 3gul h PHE 4 Ca 0.47 -0.10 -0.01 0.00 2.80 0.00 0.00 57.97 61.13 3gul h PHE 4 Cb 0.48 -0.09 -0.04 0.00 2.20 0.00 0.00 35.95 38.49 3gul h PHE 4 CO -0.00 0.66 0.53 0.93 -0.60 0.00 0.00 178.31 179.83 3gul h GLU 5 N 0.03 1.27 0.04 1.51 5.08 -1.92 0.12 114.58 120.71 3gul h GLU 5 Ca 0.04 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 3gul h GLU 5 Cb 0.56 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 3gul h GLU 5 CO 0.02 0.91 -0.03 1.98 -1.00 0.00 0.00 179.01 180.90 3gul h MET 6 N 1.28 -0.07 -0.06 2.33 4.05 -0.93 -1.86 114.93 119.67 3gul h MET 6 Ca 0.33 0.00 -0.14 0.00 -0.28 0.00 0.00 59.70 59.61 3gul h MET 6 Cb -0.01 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 30.79 3gul h MET 6 CO -0.06 -0.05 -0.59 -0.07 0.23 0.00 0.00 176.91 176.38 3gul h LEU 7 N -0.07 0.23 -1.81 3.39 3.38 -0.99 -1.93 115.31 117.50 3gul h LEU 7 Ca 0.00 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 57.86 3gul h LEU 7 Cb 0.07 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3gul h LEU 7 CO -0.00 0.76 0.15 0.03 0.09 0.00 0.00 178.44 179.47 3gul h ARG 8 N 0.15 0.25 -0.00 1.13 3.08 -0.61 0.12 114.38 118.50 3gul h ARG 8 Ca -0.00 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 59.97 3gul h ARG 8 Cb 1.08 -0.06 0.01 0.00 0.08 0.00 0.00 29.97 31.07 3gul h ARG 8 CO 0.09 0.17 -0.25 0.82 -1.07 0.00 0.00 179.97 179.72 3gul h ILE 9 N 0.26 1.54 -0.19 2.04 2.04 -0.90 -1.92 117.51 120.38 3gul h ILE 9 Ca 0.09 -1.93 -0.14 0.00 1.00 0.00 0.00 64.86 63.88 3gul h ILE 9 Cb 0.03 2.75 0.00 0.00 -0.74 0.00 0.00 36.82 38.86 3gul h ILE 9 CO -0.02 0.53 -0.41 0.44 0.00 0.00 0.00 178.15 178.69 3gul h ASP 10 N -0.49 0.69 0.31 1.72 3.32 -1.18 -3.31 116.42 117.49 3gul h ASP 10 Ca -0.03 -0.56 0.00 0.00 0.02 0.00 0.00 57.03 56.46 3gul h ASP 10 Cb 1.00 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.35 3gul h ASP 10 CO 0.05 1.12 -1.37 -0.62 -1.72 0.00 0.00 179.24 176.70 3gul n GLU 11 N -4.24 0.44 0.00 3.56 -0.58 0.41 -4.82 120.64 115.41 3gul n GLU 11 Ca -0.06 -0.05 0.00 0.00 -0.42 0.00 0.00 57.16 56.62 3gul n GLU 11 Cb 0.54 -1.59 0.00 0.00 -0.57 0.00 0.00 31.44 29.82 3gul n GLU 11 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3gul n GLY 12 N 1.32 -0.92 3.40 0.62 0.00 -0.72 -4.41 105.19 104.48 3gul n GLY 12 Ca -0.00 -1.00 -0.29 0.00 0.00 0.00 0.00 46.02 44.73 3gul n GLY 12 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3gul s LEU 13 N 0.00 2.37 -0.22 0.99 2.96 -1.26 -4.26 118.68 119.26 3gul s LEU 13 Ca 0.00 -0.74 -0.08 0.00 -0.22 0.00 0.00 54.13 53.09 3gul s LEU 13 Cb 0.00 -1.25 0.10 0.00 0.50 0.00 0.00 46.19 45.54 3gul s LEU 13 CO 0.00 0.18 0.48 -0.13 -1.32 0.00 0.00 176.35 175.56 3gul s ARG 14 N -2.11 0.40 -0.02 1.98 1.81 -0.67 -4.98 118.95 115.36 3gul s ARG 14 Ca 0.15 1.13 0.16 0.00 -1.72 0.00 0.00 55.73 55.46 3gul s ARG 14 Cb -0.10 0.45 0.51 0.00 -0.45 0.00 0.00 34.95 35.36 3gul s ARG 14 CO 0.07 -0.23 1.42 1.28 -0.68 0.00 0.00 175.30 177.15 3gul n LEU 15 N 5.32 3.22 -4.28 2.53 4.77 -1.26 0.20 117.00 127.49 3gul n LEU 15 Ca -0.10 -1.61 -0.15 0.00 -0.03 0.00 0.00 56.01 54.11 3gul n LEU 15 Cb 0.50 -0.41 -0.10 0.00 -2.33 0.00 0.00 43.42 41.07 3gul n LEU 15 CO -0.01 0.72 -0.27 -1.59 -1.33 0.00 0.00 177.39 174.91 3gul s LYS 16 N -1.39 1.30 0.59 3.23 -2.85 -1.26 -1.38 119.74 117.98 3gul s LYS 16 Ca 0.38 -1.68 -0.19 0.00 -1.00 0.00 0.00 55.97 53.48 3gul s LYS 16 Cb 0.21 -0.21 -0.04 0.00 -2.06 0.00 0.00 37.83 35.74 3gul s LYS 16 CO 0.24 -0.26 1.21 0.42 0.10 0.00 0.00 175.35 177.06 3gul s ILE 17 N -3.77 2.61 0.17 3.79 1.01 -1.22 -4.47 121.20 119.33 3gul s ILE 17 Ca 0.34 0.38 -0.12 0.00 0.00 0.00 0.00 60.65 61.26 3gul s ILE 17 Cb 0.07 -3.16 0.00 0.00 0.01 0.00 0.00 42.46 39.39 3gul s ILE 17 CO 0.11 -0.08 0.36 -0.72 0.00 0.00 0.00 174.94 174.61 3gul s TYR 18 N -1.58 0.22 -0.36 3.97 1.13 -0.24 -4.98 117.35 115.51 3gul s TYR 18 Ca 0.77 -0.58 -0.16 0.00 -1.41 0.00 0.00 57.07 55.69 3gul s TYR 18 Cb -0.31 0.09 -0.01 0.00 -1.10 0.00 0.00 41.96 40.64 3gul s TYR 18 CO 0.33 -0.78 0.38 0.15 -2.51 0.00 0.00 175.55 173.12 3gul s LYS 19 N -3.94 3.48 0.45 -3.49 1.02 -1.26 -0.84 119.74 115.16 3gul s LYS 19 Ca 0.14 -0.48 -0.08 0.00 0.02 0.00 0.00 55.97 55.58 3gul s LYS 19 Cb 0.02 -3.83 0.11 0.00 -0.52 0.00 0.00 37.83 33.60 3gul s LYS 19 CO -0.01 -0.59 0.43 -0.40 -0.92 0.00 0.00 175.35 173.86 3gul n ASP 20 N 5.42 -1.20 0.06 2.83 5.68 -0.68 -4.78 116.55 123.89 3gul n ASP 20 Ca -0.09 -0.81 0.07 0.00 -0.50 0.00 0.00 54.79 53.46 3gul n ASP 20 Cb 0.49 -0.38 0.32 0.00 -1.14 0.00 0.00 41.12 40.41 3gul n ASP 20 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3gul n GLU 22 N -1.80 0.52 -0.10 0.00 1.02 -1.26 -4.58 120.64 114.45 3gul n GLU 22 Ca 0.01 -0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 3gul n GLU 22 Cb 0.12 -1.43 0.00 0.00 -0.02 0.00 0.00 31.44 30.11 3gul n GLU 22 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gul n GLY 23 N 1.46 0.62 3.90 0.62 0.00 -0.46 -5.08 105.19 106.24 3gul n GLY 23 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 3gul n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gul s TYR 24 N -2.16 3.20 -0.22 1.61 2.02 -1.26 -4.70 117.35 115.84 3gul s TYR 24 Ca 0.00 0.84 -0.21 0.00 -0.37 0.00 0.00 57.07 57.33 3gul s TYR 24 Cb 0.00 -3.09 -0.02 0.00 -0.40 0.00 0.00 41.96 38.46 3gul s TYR 24 CO 0.00 -1.23 0.67 0.71 -1.57 0.00 0.00 175.55 174.13 3gul s TYR 25 N -3.31 3.34 0.11 2.71 2.02 -1.25 -1.68 117.35 119.29 3gul s TYR 25 Ca 0.58 0.94 0.04 0.00 -0.37 0.00 0.00 57.07 58.26 3gul s TYR 25 Cb -0.11 -2.86 -0.04 0.00 -0.40 0.00 0.00 41.96 38.56 3gul s TYR 25 CO 0.49 -0.26 -0.11 0.99 -1.57 0.00 0.00 175.55 175.09 3gul s THR 26 N 2.23 1.07 0.17 -0.71 2.01 -0.02 -1.04 115.64 119.35 3gul s THR 26 Ca 0.29 -1.69 -0.07 0.00 0.31 0.00 0.00 61.69 60.54 3gul s THR 26 Cb -0.16 -1.44 -0.02 0.00 0.01 0.00 0.00 72.50 70.90 3gul s THR 26 CO 0.09 -0.53 0.25 -0.51 -0.69 0.00 0.00 174.62 173.23 3gul s ILE 27 N -2.41 0.05 0.00 1.82 2.07 -0.42 -1.08 121.20 121.24 3gul s ILE 27 Ca 0.07 -1.57 0.00 0.00 -1.41 0.00 0.00 60.65 57.74 3gul s ILE 27 Cb -0.03 -2.02 0.00 0.00 0.13 0.00 0.00 42.46 40.54 3gul s ILE 27 CO 0.01 -0.25 0.00 0.61 -1.91 0.00 0.00 174.94 173.40 3gul n GLY 28 N -0.22 2.80 3.23 1.50 0.00 0.13 -0.96 105.19 111.67 3gul n GLY 28 Ca -0.05 -0.27 -0.41 0.00 0.00 0.00 0.00 46.02 45.28 3gul n GLY 28 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3gul n ILE 29 N 0.00 4.02 -2.11 -0.61 5.41 -1.26 -1.67 119.36 123.13 3gul n ILE 29 Ca 0.00 -5.31 -0.16 0.00 1.00 0.00 0.00 62.75 58.28 3gul n ILE 29 Cb 0.00 -2.49 -0.02 0.00 -0.71 0.00 0.00 39.64 36.42 3gul n ILE 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3gul n GLY 30 N 2.46 0.13 3.59 7.39 0.00 -1.24 -4.86 105.19 112.67 3gul n GLY 30 Ca 0.23 -0.23 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3gul n GLY 30 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3gul s HIS 31 N -2.74 2.80 -0.12 1.61 5.04 -0.13 -4.93 115.29 116.82 3gul s HIS 31 Ca 0.00 0.60 -0.30 0.00 -1.54 0.00 0.00 55.06 53.82 3gul s HIS 31 Cb 0.00 -4.37 -0.02 0.00 0.04 0.00 0.00 32.58 28.23 3gul s HIS 31 CO 0.00 -1.29 1.26 -1.17 -2.34 0.00 0.00 174.74 171.20 3gul s LEU 32 N 4.39 4.22 -0.11 8.88 2.96 -1.26 -1.30 118.68 136.46 3gul s LEU 32 Ca 0.45 1.76 -0.21 0.00 -0.22 0.00 0.00 54.13 55.92 3gul s LEU 32 Cb -0.08 -3.55 -0.27 0.00 0.50 0.00 0.00 46.19 42.80 3gul s LEU 32 CO 0.30 -0.71 0.62 -0.07 -1.32 0.00 0.00 176.35 175.18 3gul h LEU 33 N 9.18 0.27 -7.05 -0.68 3.38 -1.46 -3.49 115.31 115.46 3gul h LEU 33 Ca -0.30 -0.85 0.10 0.00 0.09 0.00 0.00 57.88 56.92 3gul h LEU 33 Cb 1.13 -0.09 -0.14 0.00 0.09 0.00 0.00 40.66 41.65 3gul h LEU 33 CO 0.94 1.43 0.46 0.28 0.09 0.00 0.00 178.44 181.64 3gul s THR 34 N -2.40 0.00 -1.92 0.22 -1.32 -1.25 -4.92 115.64 104.05 3gul s THR 34 Ca -0.20 -0.05 0.26 0.00 -1.21 0.00 0.00 61.69 60.50 3gul s THR 34 Cb 0.02 -1.07 0.26 0.00 -1.51 0.00 0.00 72.50 70.21 3gul s THR 34 CO 0.74 0.00 1.51 0.29 -2.21 0.00 0.00 174.62 174.95 3gul n LYS 35 N -0.27 1.03 -2.21 7.08 4.76 -1.26 -3.87 118.16 123.42 3gul n LYS 35 Ca -0.09 -0.66 -0.38 0.00 -2.87 0.00 0.00 58.31 54.30 3gul n LYS 35 Cb 0.62 -1.49 -0.01 0.00 -1.84 0.00 0.00 35.03 32.31 3gul n LYS 35 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3gul s SER 36 N -2.43 6.27 -0.03 4.39 0.15 -1.26 -4.94 113.70 115.85 3gul s SER 36 Ca 0.25 2.40 0.01 0.00 0.70 0.00 0.00 55.95 59.32 3gul s SER 36 Cb 0.19 -2.61 0.08 0.00 -1.71 0.00 0.00 66.02 61.97 3gul s SER 36 CO 0.50 -0.86 0.81 -0.81 1.20 0.00 0.00 173.24 174.08 3gul n PRO 37 N -0.22 1.30 -3.68 5.44 -0.04 -1.26 -4.80 135.00 131.74 3gul n PRO 37 Ca 0.06 -0.32 -0.38 0.00 -0.04 0.00 0.00 63.50 62.81 3gul n PRO 37 Cb 0.47 -1.41 -0.10 0.00 -0.04 0.00 0.00 33.50 32.42 3gul n PRO 37 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3gul s ASP 38 N 0.24 5.44 0.27 3.54 3.68 -1.26 -4.99 116.67 123.58 3gul s ASP 38 Ca 0.06 -2.19 -0.01 0.00 2.13 0.00 0.00 52.55 52.54 3gul s ASP 38 Cb 0.05 -1.90 0.60 0.00 -1.45 0.00 0.00 42.92 40.21 3gul s ASP 38 CO 0.01 -0.55 1.67 0.25 0.13 0.00 0.00 175.17 176.68 3gul h LEU 39 N 7.95 0.07 -0.64 -1.34 5.85 -2.00 0.39 115.31 125.59 3gul h LEU 39 Ca -0.12 0.17 0.09 0.00 0.84 0.00 0.00 57.88 58.86 3gul h LEU 39 Cb 1.03 0.21 -0.07 0.00 0.37 0.00 0.00 40.66 42.20 3gul h LEU 39 CO 0.75 -0.07 0.27 0.78 -0.34 0.00 0.00 178.44 179.84 3gul h ASN 40 N 0.28 0.31 -0.68 1.25 2.35 -1.98 0.28 115.58 117.38 3gul h ASN 40 Ca 0.49 0.07 0.10 0.00 -0.55 0.00 0.00 56.30 56.41 3gul h ASN 40 Cb 0.91 0.03 -0.07 0.00 0.05 0.00 0.00 38.32 39.24 3gul h ASN 40 CO -0.56 0.18 0.31 0.00 -1.65 0.00 0.00 177.43 175.70 3gul h ALA 41 N 1.42 0.93 -0.42 -0.83 0.00 -0.66 -1.22 119.26 118.49 3gul h ALA 41 Ca 0.32 0.07 -0.14 0.00 0.00 0.00 0.00 54.91 55.16 3gul h ALA 41 Cb 0.38 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3gul h ALA 41 CO -0.29 -0.11 -0.30 0.00 0.00 0.00 0.00 179.25 178.55 3gul h ALA 42 N 1.44 0.67 -0.89 0.00 0.00 -0.80 0.17 119.26 119.86 3gul h ALA 42 Ca 0.35 -0.42 0.06 0.00 0.00 0.00 0.00 54.91 54.90 3gul h ALA 42 Cb 0.41 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.99 3gul h ALA 42 CO -0.30 0.67 0.55 0.87 0.00 0.00 0.00 179.25 181.05 3gul h LYS 43 N 0.78 0.97 0.00 0.00 1.57 0.08 0.35 116.57 120.32 3gul h LYS 43 Ca 0.08 -0.06 -0.16 0.00 -1.87 0.00 0.00 60.65 58.65 3gul h LYS 43 Cb 0.87 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.94 3gul h LYS 43 CO 0.08 0.64 -0.85 0.66 -0.57 0.00 0.00 179.45 179.41 3gul h SER 44 N 1.00 0.00 -0.31 0.86 4.64 -1.14 -2.83 113.55 115.78 3gul h SER 44 Ca 0.39 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.62 3gul h SER 44 Cb 0.18 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.26 3gul h SER 44 CO -0.18 0.71 -0.10 -0.33 -0.87 0.00 0.00 176.83 176.07 3gul h GLU 45 N 0.00 0.72 0.58 4.77 4.39 -0.15 -0.58 114.58 124.32 3gul h GLU 45 Ca -0.04 -0.23 -0.03 0.00 0.34 0.00 0.00 59.36 59.40 3gul h GLU 45 Cb 1.58 -0.07 0.01 0.00 -0.10 0.00 0.00 28.75 30.17 3gul h GLU 45 CO 0.09 0.80 -0.28 1.25 -1.16 0.00 0.00 179.01 179.71 3gul h LEU 46 N 0.66 -0.66 -0.77 1.33 5.85 -1.01 -1.39 115.31 119.33 3gul h LEU 46 Ca 0.12 0.01 0.16 0.00 0.84 0.00 0.00 57.88 59.01 3gul h LEU 46 Cb 0.55 0.17 -0.11 0.00 0.37 0.00 0.00 40.66 41.65 3gul h LEU 46 CO 0.03 -0.45 0.26 0.44 -0.34 0.00 0.00 178.44 178.39 3gul h ASP 47 N -0.80 0.18 -0.24 1.25 5.19 -1.38 0.46 116.42 121.07 3gul h ASP 47 Ca -0.08 0.13 -0.04 0.00 -0.62 0.00 0.00 57.03 56.42 3gul h ASP 47 Cb 0.60 0.14 -0.02 0.00 0.18 0.00 0.00 39.33 40.24 3gul h ASP 47 CO 0.13 0.03 0.04 0.50 -3.12 0.00 0.00 179.24 176.82 3gul h LYS 48 N 0.37 0.50 -0.02 3.56 3.64 -1.06 -1.00 116.57 122.56 3gul h LYS 48 Ca 0.44 -0.09 -0.17 0.00 -1.27 0.00 0.00 60.65 59.55 3gul h LYS 48 Cb 0.72 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.45 3gul h LYS 48 CO -0.47 0.50 -0.77 0.00 -2.27 0.00 0.00 179.45 176.45 3gul h ALA 49 N 1.56 0.67 0.00 5.00 0.00 0.21 -3.35 119.26 123.36 3gul h ALA 49 Ca 0.11 -0.66 -0.37 0.00 0.00 0.00 0.00 54.91 53.99 3gul h ALA 49 Cb 0.26 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 17.89 3gul h ALA 49 CO 0.00 0.87 -2.34 -0.89 0.00 0.00 0.00 179.25 176.89 3gul n ILE 50 N -3.72 1.43 -0.25 0.00 2.08 -0.54 -5.00 119.36 113.37 3gul n ILE 50 Ca -0.03 -0.80 0.00 0.00 0.56 0.00 0.00 62.75 62.48 3gul n ILE 50 Cb 0.73 -0.70 0.00 0.00 -0.75 0.00 0.00 39.64 38.92 3gul n ILE 50 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3gul n GLY 51 N 1.82 0.86 3.51 7.39 0.00 -0.39 -5.08 105.19 113.30 3gul n GLY 51 Ca -0.34 -0.19 -0.09 0.00 0.00 0.00 0.00 46.02 45.39 3gul n GLY 51 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3gul s ARG 52 N -0.57 1.38 -0.20 1.61 1.70 -1.14 -5.06 118.95 116.68 3gul s ARG 52 Ca 0.00 -0.94 -0.29 0.00 -0.47 0.00 0.00 55.73 54.03 3gul s ARG 52 Cb 0.00 0.50 0.00 0.00 -0.57 0.00 0.00 34.95 34.88 3gul s ARG 52 CO 0.00 -0.58 1.01 -0.80 -1.08 0.00 0.00 175.30 173.85 3gul s ASN 53 N -2.90 7.11 -0.15 -2.89 0.01 -1.26 -4.20 114.94 110.66 3gul s ASN 53 Ca 0.11 1.38 -0.07 0.00 -0.71 0.00 0.00 52.86 53.57 3gul s ASN 53 Cb -0.01 -2.53 -0.24 0.00 0.41 0.00 0.00 41.25 38.88 3gul s ASN 53 CO -0.01 -0.60 0.28 0.00 -1.51 0.00 0.00 177.10 175.26 3gul h ASN 55 N -0.06 0.00 0.00 0.00 4.21 -1.94 -3.27 115.58 114.52 3gul h ASN 55 Ca -0.44 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.07 3gul h ASN 55 Cb 1.94 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 39.14 3gul h ASN 55 CO 0.03 0.35 -0.22 0.61 -1.29 0.00 0.00 177.43 176.92 3gul n GLY 56 N 0.54 0.38 2.96 2.83 0.00 -1.26 -4.73 105.19 105.91 3gul n GLY 56 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 3gul n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gul s VAL 57 N 0.00 1.20 0.26 1.61 1.01 -1.24 -3.43 120.40 119.81 3gul s VAL 57 Ca 0.00 -0.42 0.08 0.00 0.00 0.00 0.00 61.98 61.64 3gul s VAL 57 Cb 0.00 -1.16 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 3gul s VAL 57 CO 0.00 0.39 0.09 0.27 0.00 0.00 0.00 175.10 175.85 3gul s ILE 58 N 1.43 3.91 0.92 2.22 -4.36 -0.48 -4.85 121.20 119.99 3gul s ILE 58 Ca 0.01 -1.68 -0.12 0.00 -0.26 0.00 0.00 60.65 58.60 3gul s ILE 58 Cb -0.13 -3.11 0.20 0.00 1.25 0.00 0.00 42.46 40.68 3gul s ILE 58 CO -0.06 -0.36 1.25 0.35 0.24 0.00 0.00 174.94 176.35 3gul n THR 59 N -1.03 0.00 0.00 8.37 -2.24 -1.26 -4.67 114.28 113.45 3gul n THR 59 Ca -0.07 -1.13 -0.17 0.00 -2.27 0.00 0.00 64.05 60.40 3gul n THR 59 Cb 0.58 -1.35 -0.11 0.00 -2.10 0.00 0.00 70.33 67.35 3gul n THR 59 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3gul h LYS 60 N 0.00 0.38 -0.05 -0.78 3.64 -1.99 -2.32 116.57 115.45 3gul h LYS 60 Ca -0.41 -0.41 -0.08 0.00 -1.27 0.00 0.00 60.65 58.48 3gul h LYS 60 Cb 1.20 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 33.12 3gul h LYS 60 CO 0.32 1.09 -0.35 -0.44 -2.27 0.00 0.00 179.45 177.79 3gul h ASP 61 N -0.16 0.10 -0.15 4.20 3.32 -1.98 -1.59 116.42 120.15 3gul h ASP 61 Ca -0.07 -0.03 -0.12 0.00 0.02 0.00 0.00 57.03 56.83 3gul h ASP 61 Cb 1.29 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.81 3gul h ASP 61 CO 0.11 0.45 -0.36 -0.33 -1.72 0.00 0.00 179.24 177.38 3gul h GLU 62 N 0.09 0.51 -0.97 3.56 5.08 -1.96 -1.49 114.58 119.40 3gul h GLU 62 Ca 0.01 -0.35 0.09 0.00 -1.00 0.00 0.00 59.36 58.11 3gul h GLU 62 Cb 0.66 0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.89 3gul h GLU 62 CO 0.05 0.96 0.62 0.00 -1.00 0.00 0.00 179.01 179.64 3gul h ALA 63 N 0.54 1.40 -0.01 3.43 0.00 -1.25 -0.82 119.26 122.56 3gul h ALA 63 Ca -0.00 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 3gul h ALA 63 Cb 0.97 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 3gul h ALA 63 CO 0.08 0.32 -0.74 0.93 0.00 0.00 0.00 179.25 179.84 3gul h GLU 64 N 1.06 0.05 0.06 0.00 5.08 -1.24 -0.87 114.58 118.72 3gul h GLU 64 Ca 0.45 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.76 3gul h GLU 64 Cb 0.30 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.57 3gul h GLU 64 CO -0.21 0.77 -0.03 -0.22 -1.00 0.00 0.00 179.01 178.31 3gul h LYS 65 N 0.03 -0.08 -0.99 2.33 3.64 -0.77 -2.01 116.57 118.73 3gul h LYS 65 Ca -0.01 0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.48 3gul h LYS 65 Cb 1.30 0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 33.06 3gul h LYS 65 CO 0.10 0.22 0.62 -0.07 -2.27 0.00 0.00 179.45 178.05 3gul h LEU 66 N -0.38 0.93 -0.23 5.20 3.38 -1.07 -2.21 115.31 120.93 3gul h LEU 66 Ca -0.01 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3gul h LEU 66 Cb 0.34 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3gul h LEU 66 CO 0.01 0.52 0.12 0.15 0.09 0.00 0.00 178.44 179.33 3gul h PHE 67 N 1.02 0.32 -0.57 1.13 3.57 -1.03 -0.01 116.94 121.37 3gul h PHE 67 Ca 0.47 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.99 3gul h PHE 67 Cb 0.41 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.01 3gul h PHE 67 CO -0.01 0.30 0.34 -0.91 -2.23 0.00 0.00 178.31 175.80 3gul h ASN 68 N 0.25 0.53 -0.35 0.41 2.35 -1.03 -0.58 115.58 117.16 3gul h ASN 68 Ca 0.08 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.84 3gul h ASN 68 Cb 0.10 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 3gul h ASN 68 CO -0.01 0.37 0.21 1.56 -1.65 0.00 0.00 177.43 177.91 3gul h GLN 69 N 0.66 0.47 -0.29 0.81 4.20 -1.15 -1.90 115.11 117.92 3gul h GLN 69 Ca 0.23 -0.04 -0.10 0.00 0.06 0.00 0.00 58.65 58.80 3gul h GLN 69 Cb 0.05 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 3gul h GLN 69 CO -0.11 0.35 -0.24 -0.44 -0.67 0.00 0.00 178.83 177.72 3gul h ASP 70 N 0.46 0.56 -0.10 1.46 3.32 -0.66 0.11 116.42 121.58 3gul h ASP 70 Ca 0.13 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 3gul h ASP 70 Cb -0.00 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.39 3gul h ASP 70 CO -0.02 0.80 0.01 0.58 -1.72 0.00 0.00 179.24 178.88 3gul h VAL 71 N 0.49 1.24 -0.27 -1.35 2.07 -1.06 -2.04 116.25 115.33 3gul h VAL 71 Ca 0.07 -0.75 0.06 0.00 0.82 0.00 0.00 66.70 66.90 3gul h VAL 71 Cb 0.69 1.55 -0.06 0.00 -1.52 0.00 0.00 31.29 31.94 3gul h VAL 71 CO 0.05 0.21 -0.10 -0.78 0.02 0.00 0.00 177.57 176.97 3gul h ASP 72 N -0.09 -0.36 -0.53 0.57 3.58 -1.23 -1.32 116.42 117.04 3gul h ASP 72 Ca 0.03 0.09 0.03 0.00 0.42 0.00 0.00 57.03 57.60 3gul h ASP 72 Cb 0.32 0.21 -0.03 0.00 1.72 0.00 0.00 39.33 41.56 3gul h ASP 72 CO 0.00 -0.14 0.35 0.00 -2.88 0.00 0.00 179.24 176.58 3gul h ALA 73 N 1.18 1.74 -0.22 -0.78 0.00 -0.74 -1.02 119.26 119.42 3gul h ALA 73 Ca 0.14 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.86 3gul h ALA 73 Cb 0.26 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3gul h ALA 73 CO -0.31 0.20 -0.51 0.00 0.00 0.00 0.00 179.25 178.64 3gul h ALA 74 N 1.69 0.35 -0.03 0.00 0.00 -0.84 0.27 119.26 120.71 3gul h ALA 74 Ca 0.21 -0.50 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 3gul h ALA 74 Cb 0.09 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3gul h ALA 74 CO -0.05 0.54 0.01 0.28 0.00 0.00 0.00 179.25 180.03 3gul h VAL 75 N 0.45 1.14 -0.76 0.00 2.07 -0.85 -2.11 116.25 116.18 3gul h VAL 75 Ca -0.00 -0.40 -0.03 0.00 0.82 0.00 0.00 66.70 67.09 3gul h VAL 75 Cb 1.12 1.34 -0.04 0.00 -1.52 0.00 0.00 31.29 32.20 3gul h VAL 75 CO 0.11 0.11 0.37 0.03 0.02 0.00 0.00 177.57 178.21 3gul h ARG 76 N -0.11 1.09 -0.56 1.57 3.08 -1.22 -1.02 114.38 117.22 3gul h ARG 76 Ca 0.01 -0.15 0.04 0.00 0.07 0.00 0.00 59.98 59.95 3gul h ARG 76 Cb 0.16 -0.20 -0.04 0.00 0.08 0.00 0.00 29.97 29.97 3gul h ARG 76 CO -0.00 0.84 0.32 0.78 -1.07 0.00 0.00 179.97 180.83 3gul h GLY 77 N 1.12 0.80 0.95 0.04 0.00 -0.83 -0.97 103.07 104.18 3gul h GLY 77 Ca 0.26 -0.23 -0.00 0.00 0.00 0.00 0.00 47.33 47.36 3gul h GLY 77 CO -0.03 0.17 0.10 -2.22 0.00 0.00 0.00 176.54 174.56 3gul h ILE 78 N 0.62 1.10 0.00 2.60 2.04 -0.94 -2.42 117.51 120.51 3gul h ILE 78 Ca 0.24 -0.26 -0.04 0.00 1.00 0.00 0.00 64.86 65.80 3gul h ILE 78 Cb 0.09 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 3gul h ILE 78 CO -0.13 0.09 -0.18 -0.07 0.00 0.00 0.00 178.15 177.86 3gul h LEU 79 N 0.19 0.00 0.00 1.44 3.38 -0.82 -2.44 115.31 117.06 3gul h LEU 79 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3gul h LEU 79 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3gul h LEU 79 CO -0.01 0.18 -0.76 0.54 0.09 0.00 0.00 178.44 178.48 3gul n ARG 80 N -3.34 0.21 -3.22 1.13 1.74 -0.40 -4.83 116.66 107.95 3gul n ARG 80 Ca 0.00 0.03 -0.39 0.00 -0.77 0.00 0.00 57.85 56.72 3gul n ARG 80 Cb 0.41 -1.60 -0.06 0.00 -1.02 0.00 0.00 32.46 30.19 3gul n ARG 80 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3gul s ASN 81 N -3.77 6.73 0.40 0.55 3.84 -0.91 -4.97 114.94 116.80 3gul s ASN 81 Ca 0.06 0.88 0.18 0.00 0.21 0.00 0.00 52.86 54.20 3gul s ASN 81 Cb 0.15 -2.32 0.82 0.00 -0.55 0.00 0.00 41.25 39.35 3gul s ASN 81 CO 0.75 -0.09 1.82 0.00 -2.79 0.00 0.00 177.10 176.79 3gul h ALA 82 N 6.93 1.15 0.06 1.71 0.00 -1.89 -0.85 119.26 126.38 3gul h ALA 82 Ca -0.39 -0.31 -0.26 0.00 0.00 0.00 0.00 54.91 53.96 3gul h ALA 82 Cb 1.17 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 3gul h ALA 82 CO 0.76 0.42 -1.28 0.87 0.00 0.00 0.00 179.25 180.02 3gul h LYS 83 N 0.00 0.14 0.07 0.00 1.57 -1.93 -3.40 116.57 113.02 3gul h LYS 83 Ca -0.00 -0.23 -0.19 0.00 -1.87 0.00 0.00 60.65 58.35 3gul h LYS 83 Cb 0.73 0.09 -0.00 0.00 0.08 0.00 0.00 32.23 33.13 3gul h LYS 83 CO 0.04 1.03 -0.97 -0.07 -0.57 0.00 0.00 179.45 178.91 3gul h LEU 84 N 0.04 0.24 -0.01 2.94 3.38 -1.75 -3.38 115.31 116.77 3gul h LEU 84 Ca -0.13 -0.83 0.03 0.00 0.09 0.00 0.00 57.88 57.04 3gul h LEU 84 Cb 1.91 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 42.54 3gul h LEU 84 CO 0.15 1.42 -0.33 0.50 0.09 0.00 0.00 178.44 180.28 3gul h LYS 85 N -0.60 -0.46 -0.75 1.13 3.64 -1.06 0.77 116.57 119.24 3gul h LYS 85 Ca -0.22 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 3gul h LYS 85 Cb 1.49 0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 33.37 3gul h LYS 85 CO 0.01 -0.31 0.47 -1.00 -2.27 0.00 0.00 179.45 176.35 3gul h PRO 86 N -0.47 1.00 -0.14 1.90 0.13 -1.78 0.50 132.00 133.13 3gul h PRO 86 Ca 0.06 -0.08 -0.01 0.00 -0.87 0.00 0.00 66.00 65.10 3gul h PRO 86 Cb 0.56 -0.22 -0.01 0.00 0.13 0.00 0.00 31.00 31.47 3gul h PRO 86 CO -0.27 0.69 0.03 0.28 -0.23 0.00 0.00 178.00 178.49 3gul h VAL 87 N 1.02 1.20 -0.63 1.56 2.07 -1.66 -2.77 116.25 117.05 3gul h VAL 87 Ca 0.27 -0.64 0.07 0.00 0.82 0.00 0.00 66.70 67.23 3gul h VAL 87 Cb -0.07 1.36 -0.06 0.00 -1.52 0.00 0.00 31.29 31.00 3gul h VAL 87 CO -0.05 0.19 0.31 0.22 0.02 0.00 0.00 177.57 178.26 3gul h TYR 88 N 0.02 0.57 0.00 1.57 3.20 -0.39 -2.27 116.97 119.68 3gul h TYR 88 Ca 0.04 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.94 3gul h TYR 88 Cb 0.26 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.38 3gul h TYR 88 CO 0.01 0.23 0.00 -0.44 -1.64 0.00 0.00 178.16 176.32 3gul h ASP 89 N 0.57 0.00 1.62 -2.11 3.32 -0.84 -2.29 116.42 116.69 3gul h ASP 89 Ca 0.30 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.35 3gul h ASP 89 Cb 0.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 3gul h ASP 89 CO -0.23 0.00 -0.23 0.77 -1.72 0.00 0.00 179.24 177.84 3gul h SER 90 N 0.00 0.00 -3.97 6.45 4.64 -1.12 -3.47 113.55 116.08 3gul h SER 90 Ca 0.00 -0.02 -0.48 0.00 -0.47 0.00 0.00 61.79 60.82 3gul h SER 90 Cb 0.48 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.59 3gul h SER 90 CO 0.00 0.01 0.41 -0.76 -0.87 0.00 0.00 176.83 175.62 3gul s LEU 91 N -5.56 4.12 0.88 5.97 1.43 -0.86 -5.06 118.68 119.59 3gul s LEU 91 Ca 0.06 2.04 -0.12 0.00 -1.03 0.00 0.00 54.13 55.09 3gul s LEU 91 Cb 0.08 -4.21 0.12 0.00 0.03 0.00 0.00 46.19 42.21 3gul s LEU 91 CO 0.68 -0.53 1.09 1.51 0.23 0.00 0.00 176.35 179.34 3gul s ASP 92 N -1.58 3.69 0.19 2.29 -4.77 -1.26 -4.78 116.67 110.45 3gul s ASP 92 Ca 0.59 1.43 -0.16 0.00 -3.30 0.00 0.00 52.55 51.10 3gul s ASP 92 Cb -0.22 -2.12 0.16 0.00 -1.09 0.00 0.00 42.92 39.65 3gul s ASP 92 CO 0.27 -2.49 1.63 0.00 0.70 0.00 0.00 175.17 175.29 3gul h ALA 93 N -1.45 0.26 -0.27 2.11 0.00 -1.97 -1.70 119.26 116.24 3gul h ALA 93 Ca -0.49 0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 3gul h ALA 93 Cb 1.28 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 19.52 3gul h ALA 93 CO 0.56 -0.49 0.10 0.28 0.00 0.00 0.00 179.25 179.70 3gul h VAL 94 N -0.05 1.18 -0.01 0.00 2.07 -1.93 -2.89 116.25 114.62 3gul h VAL 94 Ca 0.24 -0.55 -0.09 0.00 0.82 0.00 0.00 66.70 67.12 3gul h VAL 94 Cb 0.42 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 3gul h VAL 94 CO -0.55 0.19 -0.40 0.03 0.02 0.00 0.00 177.57 176.85 3gul h ARG 95 N 0.29 0.02 -1.86 1.57 3.08 -1.79 -2.93 114.38 112.76 3gul h ARG 95 Ca 0.09 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.13 3gul h ARG 95 Cb 0.19 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.24 3gul h ARG 95 CO -0.01 0.42 0.00 0.54 -1.07 0.00 0.00 179.97 179.86 3gul n ARG 96 N -4.06 0.00 0.00 0.04 1.74 -0.67 -1.23 116.66 112.49 3gul n ARG 96 Ca -0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 3gul n ARG 96 Cb 0.44 -1.36 0.00 0.00 -1.02 0.00 0.00 32.46 30.52 3gul n ARG 96 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3gul n ALA 98 N 0.95 0.00 0.21 7.54 0.00 -1.11 -1.23 120.51 126.87 3gul n ALA 98 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 3gul n ALA 98 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 3gul n ALA 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gul h ALA 99 N 0.00 -0.49 -0.77 0.00 0.00 -1.48 0.12 119.26 116.64 3gul h ALA 99 Ca 0.00 -0.10 0.09 0.00 0.00 0.00 0.00 54.91 54.89 3gul h ALA 99 Cb 0.00 0.20 -0.07 0.00 0.00 0.00 0.00 17.79 17.92 3gul h ALA 99 CO 0.00 -0.78 0.42 0.82 0.00 0.00 0.00 179.25 179.72 3gul h ILE 100 N -0.49 0.90 -0.70 0.00 2.04 -1.44 -1.82 117.51 116.00 3gul h ILE 100 Ca -0.05 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.56 3gul h ILE 100 Cb 0.38 0.12 -0.03 0.00 -0.74 0.00 0.00 36.82 36.54 3gul h ILE 100 CO 0.07 0.13 0.41 -1.13 0.00 0.00 0.00 178.15 177.64 3gul h ASN 101 N 0.72 0.86 -0.43 1.72 -0.73 -1.76 -0.62 115.58 115.34 3gul h ASN 101 Ca 0.37 -0.07 -0.05 0.00 1.87 0.00 0.00 56.30 58.41 3gul h ASN 101 Cb 0.33 -0.22 -0.02 0.00 0.27 0.00 0.00 38.32 38.69 3gul h ASN 101 CO -0.24 0.68 0.07 -0.08 -0.37 0.00 0.00 177.43 177.49 3gul h GLU 102 N 0.96 0.71 -0.65 6.67 4.81 0.04 -2.10 114.58 125.01 3gul h GLU 102 Ca 0.25 -0.19 -0.08 0.00 -0.13 0.00 0.00 59.36 59.21 3gul h GLU 102 Cb -0.01 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.27 3gul h GLU 102 CO -0.04 0.74 0.07 0.28 -0.73 0.00 0.00 179.01 179.33 3gul h VAL 103 N 0.56 1.26 -0.49 0.32 2.07 -1.28 0.83 116.25 119.53 3gul h VAL 103 Ca 0.13 -1.07 0.03 0.00 0.82 0.00 0.00 66.70 66.61 3gul h VAL 103 Cb 0.38 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 30.80 3gul h VAL 103 CO 0.01 0.40 0.27 0.15 0.02 0.00 0.00 177.57 178.42 3gul h PHE 104 N 1.01 0.51 0.02 1.57 3.04 -0.92 0.53 116.94 122.69 3gul h PHE 104 Ca 0.19 0.02 -0.00 0.00 3.98 0.00 0.00 57.97 62.16 3gul h PHE 104 Cb 0.48 -0.16 0.00 0.00 2.56 0.00 0.00 35.95 38.83 3gul h PHE 104 CO 0.03 0.28 -0.01 1.96 -2.02 0.00 0.00 178.31 178.55 3gul h GLN 105 N 0.54 -0.03 0.00 1.11 4.20 -1.27 -3.38 115.11 116.28 3gul h GLN 105 Ca 0.20 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.91 3gul h GLN 105 Cb 0.06 0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.84 3gul h GLN 105 CO -0.11 0.60 -1.29 -1.33 -0.67 0.00 0.00 178.83 176.02 3gul n MET 106 N -4.79 0.50 -0.05 1.46 2.81 0.28 -5.09 117.12 112.23 3gul n MET 106 Ca -0.09 -0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.79 3gul n MET 106 Cb 0.32 -1.65 -0.00 0.00 -0.71 0.00 0.00 33.22 31.17 3gul n MET 106 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3gul n GLY 107 N 1.27 -2.74 0.26 3.03 0.00 0.18 -4.23 105.19 102.96 3gul n GLY 107 Ca -0.00 -1.36 -0.01 0.00 0.00 0.00 0.00 46.02 44.65 3gul n GLY 107 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3gul h VAL 108 N -0.02 0.92 -0.26 1.61 2.07 -1.94 -2.90 116.25 115.73 3gul h VAL 108 Ca -0.00 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 67.26 3gul h VAL 108 Cb 0.04 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.02 3gul h VAL 108 CO 0.00 0.12 0.04 0.74 0.02 0.00 0.00 177.57 178.49 3gul h THR 109 N 0.65 1.23 -0.87 2.57 2.02 -1.96 0.26 112.91 116.81 3gul h THR 109 Ca 0.31 -0.78 -0.01 0.00 0.77 0.00 0.00 66.41 66.71 3gul h THR 109 Cb 0.25 1.23 -0.04 0.00 -1.74 0.00 0.00 68.15 67.85 3gul h THR 109 CO -0.21 0.25 0.51 1.23 0.37 0.00 0.00 175.52 177.67 3gul h GLY 110 N 0.25 1.27 1.26 2.16 0.00 -1.71 -2.83 103.07 103.47 3gul h GLY 110 Ca 0.08 -0.54 -0.22 0.00 0.00 0.00 0.00 47.33 46.65 3gul h GLY 110 CO 0.01 0.52 -0.80 -2.08 0.00 0.00 0.00 176.54 174.18 3gul h VAL 111 N 1.20 1.30 0.00 4.60 2.07 -1.31 -3.14 116.25 120.96 3gul h VAL 111 Ca 0.31 -2.04 -0.00 0.00 0.82 0.00 0.00 66.70 65.79 3gul h VAL 111 Cb -0.03 2.05 -0.00 0.00 -1.52 0.00 0.00 31.29 31.79 3gul h VAL 111 CO -0.06 0.64 -0.01 0.00 0.02 0.00 0.00 177.57 178.16 3gul h ALA 112 N 0.61 1.20 0.00 1.67 0.00 -0.70 -1.68 119.26 120.36 3gul h ALA 112 Ca -0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3gul h ALA 112 Cb 1.43 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.21 3gul h ALA 112 CO 0.16 0.01 -0.03 0.78 0.00 0.00 0.00 179.25 180.17 3gul h GLY 113 N 0.15 0.00 -5.91 0.00 0.00 -1.48 -3.38 103.07 92.45 3gul h GLY 113 Ca -0.00 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.77 3gul h GLY 113 CO 0.00 0.00 2.66 0.69 0.00 0.00 0.00 176.54 179.89 3gul n PHE 114 N -3.13 1.96 -0.19 5.60 3.01 -0.63 -4.75 117.46 119.33 3gul n PHE 114 Ca 0.01 -2.13 -0.02 0.00 1.01 0.00 0.00 57.45 56.32 3gul n PHE 114 Cb 0.37 -1.87 0.09 0.00 -0.01 0.00 0.00 39.48 38.05 3gul n PHE 114 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 3gul h THR 115 N 3.91 0.83 -0.05 4.37 2.02 -1.85 -1.49 112.91 120.64 3gul h THR 115 Ca 0.51 -0.15 -0.10 0.00 0.77 0.00 0.00 66.41 67.44 3gul h THR 115 Cb 0.45 0.36 0.01 0.00 -1.74 0.00 0.00 68.15 67.22 3gul h THR 115 CO 1.75 0.08 -0.34 0.78 0.37 0.00 0.00 175.52 178.16 3gul h ASN 116 N 0.43 0.39 -0.94 4.18 4.21 -1.97 -2.53 115.58 119.35 3gul h ASN 116 Ca 0.28 -0.68 0.13 0.00 1.21 0.00 0.00 56.30 57.24 3gul h ASN 116 Cb 0.29 -0.12 -0.09 0.00 -1.12 0.00 0.00 38.32 37.29 3gul h ASN 116 CO -0.26 1.01 0.56 0.58 -1.29 0.00 0.00 177.43 178.03 3gul h VAL 117 N -0.19 0.85 -0.61 2.81 2.07 -1.92 0.24 116.25 119.50 3gul h VAL 117 Ca -0.03 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.20 3gul h VAL 117 Cb 1.01 -0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 3gul h VAL 117 CO 0.07 0.15 0.37 -0.07 0.02 0.00 0.00 177.57 178.12 3gul h LEU 118 N 0.85 0.72 -0.25 2.57 3.38 -1.26 0.37 115.31 121.68 3gul h LEU 118 Ca 0.48 -0.05 -0.08 0.00 0.09 0.00 0.00 57.88 58.32 3gul h LEU 118 Cb 0.56 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 3gul h LEU 118 CO -0.30 0.56 -0.15 -0.09 0.09 0.00 0.00 178.44 178.55 3gul h ARG 119 N 0.82 0.54 -0.82 1.13 2.43 -0.89 -1.80 114.38 115.80 3gul h ARG 119 Ca 0.22 -0.25 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3gul h ARG 119 Cb -0.04 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.46 3gul h ARG 119 CO -0.04 0.81 0.53 0.52 -1.51 0.00 0.00 179.97 180.28 3gul h MET 120 N 0.26 1.09 -0.54 0.20 2.86 -0.49 -0.86 114.93 117.46 3gul h MET 120 Ca 0.05 -0.08 -0.05 0.00 -2.06 0.00 0.00 59.70 57.56 3gul h MET 120 Cb 0.67 -0.24 -0.02 0.00 0.06 0.00 0.00 31.60 32.06 3gul h MET 120 CO 0.04 0.74 0.13 -0.07 1.06 0.00 0.00 176.91 178.81 3gul h LEU 121 N 1.11 0.82 -0.92 1.22 3.38 -0.89 0.55 115.31 120.59 3gul h LEU 121 Ca 0.30 -0.23 -0.11 0.00 0.09 0.00 0.00 57.88 57.92 3gul h LEU 121 Cb -0.10 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.42 3gul h LEU 121 CO -0.06 0.84 -0.50 -0.61 0.09 0.00 0.00 178.44 178.20 3gul h GLN 122 N 0.76 0.10 -0.07 1.13 4.15 -1.01 -1.62 115.11 118.54 3gul h GLN 122 Ca 0.17 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.53 3gul h GLN 122 Cb 0.34 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.03 3gul h GLN 122 CO 0.00 0.58 0.00 1.04 -1.93 0.00 0.00 178.83 178.52 3gul n GLN 123 N -3.94 1.38 -3.04 1.69 6.02 -0.35 -4.92 117.38 114.22 3gul n GLN 123 Ca -0.02 -0.57 -0.19 0.00 -0.01 0.00 0.00 57.00 56.21 3gul n GLN 123 Cb 0.53 -1.37 0.04 0.00 1.02 0.00 0.00 30.24 30.46 3gul n GLN 123 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3gul n LYS 124 N -0.23 -4.79 -2.93 -1.09 5.02 -0.61 -4.94 118.16 108.59 3gul n LYS 124 Ca 0.16 0.72 -0.44 0.00 -2.02 0.00 0.00 58.31 56.74 3gul n LYS 124 Cb 0.21 -5.25 0.00 0.00 -0.02 0.00 0.00 35.03 29.98 3gul n LYS 124 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3gul n ARG 125 N -3.65 3.71 -0.20 1.97 1.74 0.19 -4.88 116.66 115.53 3gul n ARG 125 Ca -0.06 -4.09 -0.08 0.00 -0.77 0.00 0.00 57.85 52.85 3gul n ARG 125 Cb 0.58 -2.77 0.02 0.00 -1.02 0.00 0.00 32.46 29.28 3gul n ARG 125 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 3gul h TRP 126 N 6.34 0.88 0.37 -1.55 -0.00 -1.89 -2.61 115.95 117.49 3gul h TRP 126 Ca 0.27 -0.07 -0.01 0.00 -0.00 0.00 0.00 58.89 59.08 3gul h TRP 126 Cb 0.76 -0.26 -0.01 0.00 -0.00 0.00 0.00 29.16 29.65 3gul h TRP 126 CO 1.02 0.72 -0.25 -0.44 -0.00 0.00 0.00 178.44 179.49 3gul h ASP 127 N 0.79 -0.63 -0.91 -3.49 5.19 -1.90 -2.23 116.42 113.25 3gul h ASP 127 Ca 0.19 0.04 -0.01 0.00 -0.62 0.00 0.00 57.03 56.63 3gul h ASP 127 Cb 0.22 0.19 -0.04 0.00 0.18 0.00 0.00 39.33 39.88 3gul h ASP 127 CO -0.01 -0.39 0.54 -0.33 -3.12 0.00 0.00 179.24 175.93 3gul h GLU 128 N -0.60 1.25 -0.67 3.56 5.08 -1.96 -2.14 114.58 119.09 3gul h GLU 128 Ca -0.04 -0.12 -0.05 0.00 -1.00 0.00 0.00 59.36 58.15 3gul h GLU 128 Cb 0.50 -0.26 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 3gul h GLU 128 CO 0.03 0.88 0.23 0.00 -1.00 0.00 0.00 179.01 179.15 3gul h ALA 129 N 1.29 0.88 -0.43 3.43 0.00 -1.41 0.25 119.26 123.27 3gul h ALA 129 Ca 0.33 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 3gul h ALA 129 Cb -0.03 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3gul h ALA 129 CO -0.06 0.53 -0.07 0.00 0.00 0.00 0.00 179.25 179.66 3gul h ALA 130 N 1.10 1.08 -0.11 0.00 0.00 -1.17 0.48 119.26 120.64 3gul h ALA 130 Ca 0.22 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3gul h ALA 130 Cb 0.27 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3gul h ALA 130 CO -0.01 0.57 0.00 0.28 0.00 0.00 0.00 179.25 180.09 3gul h VAL 131 N 0.68 1.25 -0.49 0.00 2.07 -1.09 -2.00 116.25 116.67 3gul h VAL 131 Ca 0.12 -0.80 -0.08 0.00 0.82 0.00 0.00 66.70 66.77 3gul h VAL 131 Cb 0.52 1.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.83 3gul h VAL 131 CO 0.03 0.23 -0.01 0.78 0.02 0.00 0.00 177.57 178.62 3gul h ASN 132 N -0.07 0.79 0.48 0.57 -0.26 -0.70 -2.04 115.58 114.36 3gul h ASN 132 Ca 0.03 -0.20 -0.08 0.00 -0.56 0.00 0.00 56.30 55.49 3gul h ASN 132 Cb 0.35 -0.21 -0.01 0.00 -1.06 0.00 0.00 38.32 37.39 3gul h ASN 132 CO 0.01 0.86 -0.38 -0.07 -1.06 0.00 0.00 177.43 176.79 3gul h LEU 133 N 0.76 0.00 0.00 1.61 3.38 -0.92 -2.69 115.31 117.45 3gul h LEU 133 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3gul h LEU 133 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 3gul h LEU 133 CO 0.02 0.38 0.00 0.00 0.09 0.00 0.00 178.44 178.93 3gul n ALA 134 N -2.41 2.22 1.01 1.53 0.00 -0.75 -2.30 120.51 119.81 3gul n ALA 134 Ca -0.01 -0.11 0.11 0.00 0.00 0.00 0.00 53.44 53.43 3gul n ALA 134 Cb 0.44 -1.41 -0.00 0.00 0.00 0.00 0.00 19.45 18.47 3gul n ALA 134 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3gul n LYS 135 N -1.38 0.21 -1.75 0.00 5.02 -1.02 -4.68 118.16 114.57 3gul n LYS 135 Ca 0.10 -0.16 -0.36 0.00 -2.02 0.00 0.00 58.31 55.86 3gul n LYS 135 Cb 0.24 -1.50 0.06 0.00 -0.02 0.00 0.00 35.03 33.82 3gul n LYS 135 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3gul s SER 136 N -2.90 4.66 0.40 4.39 1.04 -0.97 -4.88 113.70 115.44 3gul s SER 136 Ca 0.11 2.54 0.11 0.00 0.48 0.00 0.00 55.95 59.19 3gul s SER 136 Cb 0.17 -2.61 0.84 0.00 0.10 0.00 0.00 66.02 64.52 3gul s SER 136 CO 0.78 -1.96 1.93 -0.09 0.98 0.00 0.00 173.24 174.88 3gul h ARG 137 N 0.50 0.16 -0.04 4.02 2.43 -1.94 -2.29 114.38 117.22 3gul h ARG 137 Ca -0.50 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 58.67 3gul h ARG 137 Cb 1.32 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 30.81 3gul h ARG 137 CO 0.53 0.32 -0.22 2.35 -1.51 0.00 0.00 179.97 181.44 3gul h TRP 138 N 0.15 -0.59 0.33 2.20 7.01 -1.92 -2.51 115.95 120.63 3gul h TRP 138 Ca 0.03 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.04 3gul h TRP 138 Cb 0.37 0.27 0.00 0.00 -2.10 0.00 0.00 29.16 27.70 3gul h TRP 138 CO 0.00 -0.31 -0.16 -0.92 -2.79 0.00 0.00 178.44 174.27 3gul h TYR 139 N -0.33 -0.40 0.00 2.65 3.20 -1.72 0.24 116.97 120.61 3gul h TYR 139 Ca 0.07 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.93 3gul h TYR 139 Cb 0.43 0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.83 3gul h TYR 139 CO -0.28 -0.16 0.00 -0.91 -1.64 0.00 0.00 178.16 175.16 3gul h ASN 140 N -0.58 0.00 0.00 -2.11 2.35 -1.43 -2.56 115.58 111.26 3gul h ASN 140 Ca -0.04 0.00 -0.29 0.00 -0.55 0.00 0.00 56.30 55.42 3gul h ASN 140 Cb 0.42 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.74 3gul h ASN 140 CO 0.07 0.00 -2.09 0.00 -1.65 0.00 0.00 177.43 173.77 3gul n GLN 141 N -2.91 1.24 -3.12 0.81 6.02 -0.95 -4.72 117.38 113.77 3gul n GLN 141 Ca -0.02 0.02 -0.29 0.00 -0.01 0.00 0.00 57.00 56.70 3gul n GLN 141 Cb 0.08 -1.40 -0.05 0.00 1.02 0.00 0.00 30.24 29.89 3gul n GLN 141 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3gul h PRO 143 N 3.64 0.25 -0.00 0.00 0.13 -1.70 -1.75 132.00 132.57 3gul h PRO 143 Ca 0.19 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3gul h PRO 143 Cb 0.56 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.66 3gul h PRO 143 CO 0.87 0.43 -0.30 -0.25 -0.23 0.00 0.00 178.00 178.52 3gul n ASP 144 N -4.80 0.48 0.11 1.44 8.00 -1.26 -0.88 116.55 119.64 3gul n ASP 144 Ca -0.05 -0.25 -0.02 0.00 0.71 0.00 0.00 54.79 55.18 3gul n ASP 144 Cb 0.18 0.04 -0.03 0.00 -0.02 0.00 0.00 41.12 41.29 3gul n ASP 144 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 3gul h ARG 145 N 0.27 0.00 0.00 -1.24 9.65 -1.83 -3.38 114.38 117.85 3gul h ARG 145 Ca 0.00 0.00 -0.05 0.00 -1.10 0.00 0.00 59.98 58.83 3gul h ARG 145 Cb 0.48 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.05 3gul h ARG 145 CO 0.00 0.72 -1.67 0.00 2.80 0.00 0.00 179.97 181.82 3gul n ALA 146 N -2.28 2.33 -0.06 2.80 0.00 -0.68 -4.71 120.51 117.91 3gul n ALA 146 Ca 0.01 -0.43 -0.08 0.00 0.00 0.00 0.00 53.44 52.94 3gul n ALA 146 Cb 0.82 -0.37 -0.01 0.00 0.00 0.00 0.00 19.45 19.88 3gul n ALA 146 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 3gul h LYS 147 N 0.00 0.21 0.00 0.00 2.10 -1.19 -1.95 116.57 115.73 3gul h LYS 147 Ca -0.07 -0.01 -0.09 0.00 -2.00 0.00 0.00 60.65 58.48 3gul h LYS 147 Cb 0.87 -0.05 -0.01 0.00 -0.90 0.00 0.00 32.23 32.14 3gul h LYS 147 CO 0.00 0.14 -0.41 0.00 -2.00 0.00 0.00 179.45 177.18 3gul h ARG 148 N 0.21 0.00 -0.27 0.07 3.08 -1.85 -1.77 114.38 113.85 3gul h ARG 148 Ca 0.11 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.07 3gul h ARG 148 Cb 0.07 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 3gul h ARG 148 CO -0.11 0.41 -0.18 0.28 -1.07 0.00 0.00 179.97 179.30 3gul h VAL 149 N 0.00 1.30 -0.57 2.04 2.07 -1.73 -0.40 116.25 118.95 3gul h VAL 149 Ca -0.00 -1.31 -0.10 0.00 0.82 0.00 0.00 66.70 66.11 3gul h VAL 149 Cb 0.76 1.56 -0.02 0.00 -1.52 0.00 0.00 31.29 32.07 3gul h VAL 149 CO 0.05 0.41 -0.02 0.40 0.02 0.00 0.00 177.57 178.43 3gul h ILE 150 N 0.33 1.27 -0.67 4.57 2.04 -1.11 -1.66 117.51 122.28 3gul h ILE 150 Ca 0.05 -1.17 -0.06 0.00 1.00 0.00 0.00 64.86 64.69 3gul h ILE 150 Cb 0.72 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 37.64 3gul h ILE 150 CO 0.05 0.42 0.19 0.74 0.00 0.00 0.00 178.15 179.55 3gul h THR 151 N 0.92 1.25 -0.63 -0.27 2.02 -1.31 -2.26 112.91 112.63 3gul h THR 151 Ca 0.16 -0.88 -0.01 0.00 0.77 0.00 0.00 66.41 66.46 3gul h THR 151 Cb 0.58 0.53 -0.03 0.00 -1.74 0.00 0.00 68.15 67.49 3gul h THR 151 CO 0.03 0.34 0.37 0.74 0.37 0.00 0.00 175.52 177.38 3gul h THR 152 N 0.99 1.19 -0.68 3.16 2.02 -0.77 -1.12 112.91 117.70 3gul h THR 152 Ca 0.22 -0.44 -0.02 0.00 0.77 0.00 0.00 66.41 66.94 3gul h THR 152 Cb 0.30 0.33 -0.03 0.00 -1.74 0.00 0.00 68.15 67.01 3gul h THR 152 CO -0.01 0.20 0.36 -0.26 0.37 0.00 0.00 175.52 176.19 3gul h PHE 153 N 0.86 0.93 -0.12 3.16 0.04 -1.03 0.36 116.94 121.14 3gul h PHE 153 Ca 0.23 -0.02 -0.06 0.00 2.80 0.00 0.00 57.97 60.92 3gul h PHE 153 Cb -0.01 -0.30 -0.00 0.00 2.20 0.00 0.00 35.95 37.84 3gul h PHE 153 CO -0.02 0.66 -0.16 -0.09 -0.60 0.00 0.00 178.31 178.10 3gul h ARG 154 N 0.95 0.33 0.06 1.51 2.43 -1.07 -3.38 114.38 115.21 3gul h ARG 154 Ca 0.24 -0.19 -0.33 0.00 -0.81 0.00 0.00 59.98 58.89 3gul h ARG 154 Cb 0.04 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.57 3gul h ARG 154 CO -0.04 0.75 -1.89 0.25 -1.51 0.00 0.00 179.97 177.53 3gul n THR 155 N -4.56 1.68 -1.41 0.20 -2.24 -0.45 -4.76 114.28 102.74 3gul n THR 155 Ca -0.07 -0.73 -0.09 0.00 -2.27 0.00 0.00 64.05 60.89 3gul n THR 155 Cb 0.38 -1.36 -0.03 0.00 -2.10 0.00 0.00 70.33 67.21 3gul n THR 155 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gul n GLY 156 N 1.79 0.93 3.59 3.38 0.00 0.12 -5.03 105.19 109.98 3gul n GLY 156 Ca -0.25 -0.59 -0.27 0.00 0.00 0.00 0.00 46.02 44.91 3gul n GLY 156 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gul s THR 157 N -2.37 1.89 -2.11 2.61 -4.23 -1.26 -4.75 115.64 105.42 3gul s THR 157 Ca 0.00 -2.01 0.15 0.00 -1.18 0.00 0.00 61.69 58.65 3gul s THR 157 Cb 0.00 -2.94 0.37 0.00 1.34 0.00 0.00 72.50 71.27 3gul s THR 157 CO 0.00 -0.01 1.38 0.79 -0.54 0.00 0.00 174.62 176.23 3gul n TRP 158 N -0.91 0.37 0.18 3.99 5.03 -1.26 -4.55 117.44 120.29 3gul n TRP 158 Ca -0.05 -0.19 0.08 0.00 3.03 0.00 0.00 57.50 60.38 3gul n TRP 158 Cb 0.67 0.00 0.60 0.00 -1.03 0.00 0.00 31.31 31.54 3gul n TRP 158 CO 0.00 0.00 0.00 -0.44 -0.03 0.00 0.00 177.69 177.22 3gul h ASP 159 N 2.14 0.10 0.45 -0.99 3.32 -1.97 -1.40 116.42 118.06 3gul h ASP 159 Ca 0.00 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 3gul h ASP 159 Cb 0.48 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 40.01 3gul h ASP 159 CO 0.00 0.07 -0.04 0.00 -1.72 0.00 0.00 179.24 177.55 3gul h ALA 160 N 1.93 1.10 -0.24 3.45 0.00 -1.91 -2.54 119.26 121.05 3gul h ALA 160 Ca 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3gul h ALA 160 Cb 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3gul h ALA 160 CO -0.01 0.05 0.00 0.66 0.00 0.00 0.00 179.25 179.95 3gul n TYR 161 N -3.27 0.29 1.51 0.00 4.02 -0.54 -4.97 117.16 114.19 3gul n TYR 161 Ca -0.01 -0.16 0.12 0.00 -0.01 0.00 0.00 57.90 57.84 3gul n TYR 161 Cb 0.20 -0.00 0.72 0.00 -0.02 0.00 0.00 39.34 40.24 3gul n TYR 161 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02