#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gux s VAL 38 N 0.00 4.42 0.01 3.84 1.01 -1.26 -5.11 120.40 123.31 3gux s VAL 38 Ca 0.00 -0.18 -0.17 0.00 0.00 0.00 0.00 61.98 61.62 3gux s VAL 38 Cb 0.00 -2.93 -0.06 0.00 0.00 0.00 0.00 36.38 33.39 3gux s VAL 38 CO 0.00 0.53 0.50 0.27 0.00 0.00 0.00 175.10 176.39 3gux s ILE 39 N -0.13 4.93 -0.19 2.22 -4.36 -1.26 -5.08 121.20 117.34 3gux s ILE 39 Ca 0.05 1.04 -0.16 0.00 -0.26 0.00 0.00 60.65 61.32 3gux s ILE 39 Cb -0.12 -3.82 -0.04 0.00 1.25 0.00 0.00 42.46 39.73 3gux s ILE 39 CO 0.02 0.52 0.41 -0.75 0.24 0.00 0.00 174.94 175.37 3gux s LYS 40 N -0.76 4.21 0.70 0.37 2.36 -1.26 -4.78 119.74 120.58 3gux s LYS 40 Ca 0.27 0.24 -0.11 0.00 -2.55 0.00 0.00 55.97 53.81 3gux s LYS 40 Cb -0.18 -3.51 0.01 0.00 -1.05 0.00 0.00 37.83 33.10 3gux s LYS 40 CO 0.15 0.01 1.06 0.00 1.55 0.00 0.00 175.35 178.13 3gux s ALA 41 N 1.16 2.69 0.98 3.13 0.00 -1.26 -5.02 121.76 123.43 3gux s ALA 41 Ca 0.20 -0.04 -0.11 0.00 0.00 0.00 0.00 51.96 52.01 3gux s ALA 41 Cb -0.15 -3.13 0.15 0.00 0.00 0.00 0.00 23.12 19.99 3gux s ALA 41 CO 0.08 -1.22 0.91 -2.30 0.00 0.00 0.00 175.76 173.23 3gux n PRO 42 N -3.11 -0.82 -2.58 0.00 -0.02 -1.26 -4.91 135.00 122.29 3gux n PRO 42 Ca 0.07 -0.19 -0.43 0.00 -2.02 0.00 0.00 63.50 60.94 3gux n PRO 42 Cb 0.54 -2.20 -0.02 0.00 -0.02 0.00 0.00 33.50 31.80 3gux n PRO 42 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3gux s GLU 43 N -4.33 4.33 0.12 -0.52 0.41 -1.26 -4.94 118.70 112.51 3gux s GLU 43 Ca 0.65 1.49 -0.31 0.00 -0.41 0.00 0.00 54.97 56.39 3gux s GLU 43 Cb -0.22 -3.61 -0.07 0.00 -1.78 0.00 0.00 34.13 28.44 3gux s GLU 43 CO 0.62 -0.50 1.28 0.12 -0.49 0.00 0.00 175.26 176.29 3gux s PHE 44 N 2.63 3.34 -0.55 1.61 2.19 -1.26 -4.99 117.98 120.96 3gux s PHE 44 Ca 0.50 1.19 -0.18 0.00 0.33 0.00 0.00 56.93 58.77 3gux s PHE 44 Cb -0.19 -3.54 0.10 0.00 -1.31 0.00 0.00 43.02 38.07 3gux s PHE 44 CO 0.15 -1.73 0.60 0.34 1.83 0.00 0.00 175.22 176.41 3gux s ASP 45 N 0.80 6.19 0.41 6.13 -1.08 -1.26 -4.93 116.67 122.94 3gux s ASP 45 Ca 0.59 -1.38 0.12 0.00 -0.52 0.00 0.00 52.55 51.36 3gux s ASP 45 Cb -0.34 -2.26 0.87 0.00 -1.46 0.00 0.00 42.92 39.74 3gux s ASP 45 CO 0.32 -0.95 1.94 0.00 0.52 0.00 0.00 175.17 177.00 3gux h ALA 46 N 9.02 1.58 -0.47 3.66 0.00 -1.92 -2.06 119.26 129.07 3gux h ALA 46 Ca -0.29 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.38 3gux h ALA 46 Cb 1.09 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 3gux h ALA 46 CO 1.03 0.31 0.19 -0.44 0.00 0.00 0.00 179.25 180.34 3gux h ASP 47 N 0.08 0.65 -0.19 0.00 3.32 -1.92 -0.04 116.42 118.33 3gux h ASP 47 Ca 0.02 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 56.90 3gux h ASP 47 Cb 0.40 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 3gux h ASP 47 CO 0.03 0.64 0.12 -1.28 -1.72 0.00 0.00 179.24 177.03 3gux h SER 48 N 0.62 0.23 -0.71 6.45 0.87 -1.90 -1.03 113.55 118.07 3gux h SER 48 Ca 0.16 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 3gux h SER 48 Cb 0.19 -0.06 -0.04 0.00 -0.44 0.00 0.00 62.40 62.06 3gux h SER 48 CO -0.01 0.19 0.46 0.00 -0.53 0.00 0.00 176.83 176.94 3gux h ALA 49 N 1.04 0.91 -0.55 6.23 0.00 -1.24 -2.11 119.26 123.54 3gux h ALA 49 Ca 0.07 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 54.99 3gux h ALA 49 Cb 0.00 -0.29 -0.06 0.00 0.00 0.00 0.00 17.79 17.45 3gux h ALA 49 CO -0.01 0.34 0.23 -0.92 0.00 0.00 0.00 179.25 178.89 3gux h TYR 50 N 0.97 0.41 -0.48 0.00 5.03 -0.61 -1.41 116.97 120.87 3gux h TYR 50 Ca 0.26 0.03 -0.06 0.00 2.58 0.00 0.00 58.73 61.54 3gux h TYR 50 Cb -0.09 -0.10 -0.02 0.00 1.55 0.00 0.00 36.73 38.07 3gux h TYR 50 CO -0.02 0.15 0.07 1.96 -1.32 0.00 0.00 178.16 179.00 3gux h GLN 51 N 0.43 0.76 -0.27 1.82 1.08 -0.61 -0.41 115.11 117.92 3gux h GLN 51 Ca 0.26 -0.17 -0.07 0.00 -1.45 0.00 0.00 58.65 57.22 3gux h GLN 51 Cb 0.26 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.57 3gux h GLN 51 CO -0.24 0.72 -0.13 1.88 -0.95 0.00 0.00 178.83 180.12 3gux h TYR 52 N 0.73 0.48 -0.21 2.96 0.05 -0.80 0.27 116.97 120.45 3gux h TYR 52 Ca 0.15 -0.07 -0.04 0.00 0.05 0.00 0.00 58.73 58.82 3gux h TYR 52 Cb 0.35 -0.13 -0.01 0.00 1.01 0.00 0.00 36.73 37.95 3gux h TYR 52 CO 0.02 0.56 -0.03 0.82 -1.05 0.00 0.00 178.16 178.48 3gux h ILE 53 N 0.42 1.27 -0.86 -2.88 2.04 -0.66 -2.89 117.51 113.95 3gux h ILE 53 Ca 0.08 -0.98 -0.03 0.00 1.00 0.00 0.00 64.86 64.93 3gux h ILE 53 Cb 0.47 1.49 -0.04 0.00 -0.74 0.00 0.00 36.82 38.01 3gux h ILE 53 CO 0.03 0.30 0.43 -0.61 0.00 0.00 0.00 178.15 178.30 3gux h GLN 54 N 0.13 1.22 -0.33 2.37 5.75 -0.66 -1.09 115.11 122.50 3gux h GLN 54 Ca 0.06 -0.16 -0.06 0.00 -0.15 0.00 0.00 58.65 58.34 3gux h GLN 54 Cb 0.46 -0.23 -0.02 0.00 1.07 0.00 0.00 27.48 28.77 3gux h GLN 54 CO 0.02 0.92 -0.04 0.28 -2.65 0.00 0.00 178.83 177.35 3gux h VAL 55 N 1.21 1.21 -0.20 2.39 2.07 -0.95 -0.44 116.25 121.54 3gux h VAL 55 Ca 0.30 -0.86 -0.09 0.00 0.82 0.00 0.00 66.70 66.87 3gux h VAL 55 Cb 0.08 1.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.85 3gux h VAL 55 CO -0.04 0.29 -0.22 1.56 0.02 0.00 0.00 177.57 179.18 3gux h GLN 56 N 0.49 0.49 -0.25 1.57 4.20 -1.22 -3.07 115.11 117.33 3gux h GLN 56 Ca 0.10 -0.27 -0.01 0.00 0.06 0.00 0.00 58.65 58.54 3gux h GLN 56 Cb 0.38 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 3gux h GLN 56 CO 0.02 0.85 0.13 0.00 -0.67 0.00 0.00 178.83 179.15 3gux h ALA 57 N 0.64 1.76 0.00 3.87 0.00 -0.86 -2.17 119.26 122.50 3gux h ALA 57 Ca 0.03 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3gux h ALA 57 Cb 0.77 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3gux h ALA 57 CO 0.05 0.20 0.00 -0.25 0.00 0.00 0.00 179.25 179.26 3gux n ASP 58 N -4.46 0.71 0.04 0.00 8.00 -0.20 -1.66 116.55 118.97 3gux n ASP 58 Ca 0.01 0.68 0.11 0.00 0.71 0.00 0.00 54.79 56.30 3gux n ASP 58 Cb 0.10 -0.83 0.46 0.00 -0.02 0.00 0.00 41.12 40.84 3gux n ASP 58 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3gux n PHE 59 N -2.29 0.34 0.00 1.24 3.72 -0.82 -5.02 117.46 114.63 3gux n PHE 59 Ca 0.02 0.11 0.00 0.00 -0.05 0.00 0.00 57.45 57.53 3gux n PHE 59 Cb 0.23 -0.68 0.00 0.00 -0.94 0.00 0.00 39.48 38.09 3gux n PHE 59 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3gux n GLY 60 N 0.76 -0.34 3.70 1.37 0.00 -0.67 -4.60 105.19 105.41 3gux n GLY 60 Ca 0.05 -1.86 -0.43 0.00 0.00 0.00 0.00 46.02 43.78 3gux n GLY 60 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3gux n PRO 61 N -0.44 2.68 -1.82 1.61 -0.02 -1.26 -4.78 135.00 130.97 3gux n PRO 61 Ca 0.00 0.97 -0.41 0.00 -2.02 0.00 0.00 63.50 62.04 3gux n PRO 61 Cb 0.00 -2.83 -0.01 0.00 -0.02 0.00 0.00 33.50 30.64 3gux n PRO 61 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3gux n ARG 62 N 4.64 3.83 -2.56 -0.52 3.00 -1.26 -4.46 116.66 119.34 3gux n ARG 62 Ca 0.17 -2.95 -0.42 0.00 -0.01 0.00 0.00 57.85 54.64 3gux n ARG 62 Cb 0.35 -2.86 -0.03 0.00 0.00 0.00 0.00 32.46 29.92 3gux n ARG 62 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 3gux s VAL 63 N 0.90 4.44 0.27 1.55 1.01 -1.26 -0.94 120.40 126.38 3gux s VAL 63 Ca 0.54 1.75 -0.26 0.00 0.00 0.00 0.00 61.98 64.01 3gux s VAL 63 Cb 0.16 -4.12 -0.16 0.00 0.00 0.00 0.00 36.38 32.26 3gux s VAL 63 CO -0.06 0.10 0.52 -2.65 0.00 0.00 0.00 175.10 173.01 3gux n PRO 64 N 4.21 0.26 -1.95 2.72 -0.02 -1.26 -1.91 135.00 137.05 3gux n PRO 64 Ca 0.08 0.09 -0.16 0.00 -2.02 0.00 0.00 63.50 61.50 3gux n PRO 64 Cb 0.48 -1.18 -0.03 0.00 -0.02 0.00 0.00 33.50 32.75 3gux n PRO 64 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3gux n ASN 65 N 1.86 -4.75 -4.54 2.55 3.02 -1.26 -5.02 115.26 107.12 3gux n ASN 65 Ca 0.15 0.15 -0.25 0.00 -0.03 0.00 0.00 54.58 54.60 3gux n ASN 65 Cb 0.30 -3.77 -0.10 0.00 -0.61 0.00 0.00 39.78 35.60 3gux n ASN 65 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3gux s THR 66 N -2.69 2.51 0.23 3.41 -4.23 -0.80 -5.03 115.64 109.03 3gux s THR 66 Ca 0.00 -2.23 -0.07 0.00 -1.18 0.00 0.00 61.69 58.21 3gux s THR 66 Cb 0.00 -2.55 0.20 0.00 1.34 0.00 0.00 72.50 71.49 3gux s THR 66 CO 0.00 -0.30 1.84 -0.61 -0.54 0.00 0.00 174.62 175.02 3gux h GLN 67 N 2.08 1.23 -0.54 3.99 5.75 -1.96 -1.75 115.11 123.91 3gux h GLN 67 Ca -0.41 -0.15 0.04 0.00 -0.15 0.00 0.00 58.65 57.97 3gux h GLN 67 Cb 1.25 -0.24 -0.04 0.00 1.07 0.00 0.00 27.48 29.52 3gux h GLN 67 CO 0.65 0.91 0.30 0.00 -2.65 0.00 0.00 178.83 178.03 3gux h ALA 68 N 1.25 0.70 -0.74 3.38 0.00 -1.85 -1.42 119.26 120.59 3gux h ALA 68 Ca 0.31 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.17 3gux h ALA 68 Cb 0.05 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3gux h ALA 68 CO -0.05 -0.03 0.23 1.25 0.00 0.00 0.00 179.25 180.65 3gux h HIS 69 N 0.57 1.19 0.06 0.00 6.17 -1.67 -0.70 115.15 120.77 3gux h HIS 69 Ca 0.23 -0.12 -0.00 0.00 0.71 0.00 0.00 60.37 61.19 3gux h HIS 69 Cb 0.11 -0.34 0.00 0.00 2.52 0.00 0.00 27.41 29.70 3gux h HIS 69 CO -0.09 0.93 -0.03 -0.22 0.71 0.00 0.00 177.93 179.24 3gux h LYS 70 N 1.10 -0.08 0.01 5.26 3.64 -0.82 -0.98 116.57 124.70 3gux h LYS 70 Ca 0.24 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.62 3gux h LYS 70 Cb 0.31 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 3gux h LYS 70 CO -0.01 0.19 -0.00 0.93 -2.27 0.00 0.00 179.45 178.29 3gux h GLU 71 N -0.35 -0.01 -0.75 1.90 5.08 -1.25 -2.23 114.58 116.96 3gux h GLU 71 Ca -0.01 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.39 3gux h GLU 71 Cb 0.31 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.51 3gux h GLU 71 CO 0.01 0.02 0.47 0.00 -1.00 0.00 0.00 179.01 178.51 3gux h GLY 73 N 0.90 1.40 0.94 0.00 0.00 -0.89 -0.89 103.07 104.53 3gux h GLY 73 Ca 0.31 -0.37 -0.03 0.00 0.00 0.00 0.00 47.33 47.25 3gux h GLY 73 CO -0.13 0.17 0.15 0.83 0.00 0.00 0.00 176.54 177.56 3gux h GLU 74 N 0.90 0.62 -0.38 4.80 5.08 -0.74 -0.93 114.58 123.93 3gux h GLU 74 Ca 0.43 -0.12 0.05 0.00 -1.00 0.00 0.00 59.36 58.71 3gux h GLU 74 Cb 0.36 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.47 3gux h GLU 74 CO -0.24 0.60 0.12 -0.92 -1.00 0.00 0.00 179.01 177.57 3gux h TYR 75 N 0.52 0.21 -0.30 4.33 3.20 -0.20 -0.38 116.97 124.35 3gux h TYR 75 Ca 0.13 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.97 3gux h TYR 75 Cb 0.22 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.45 3gux h TYR 75 CO 0.01 0.07 -0.02 -0.07 -1.64 0.00 0.00 178.16 176.51 3gux h LEU 76 N 0.27 0.53 -0.41 2.82 3.38 -1.03 -0.72 115.31 120.14 3gux h LEU 76 Ca 0.18 -0.32 0.03 0.00 0.09 0.00 0.00 57.88 57.86 3gux h LEU 76 Cb 0.17 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 3gux h LEU 76 CO -0.20 0.72 0.20 0.00 0.09 0.00 0.00 178.44 179.26 3gux h ALA 77 N 0.82 0.51 -0.64 1.53 0.00 -1.06 -1.61 119.26 118.82 3gux h ALA 77 Ca 0.08 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.04 3gux h ALA 77 Cb 0.46 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 3gux h ALA 77 CO 0.02 -0.16 0.39 0.78 0.00 0.00 0.00 179.25 180.28 3gux h GLY 78 N 0.40 0.92 0.97 0.00 0.00 -0.81 -1.63 103.07 102.92 3gux h GLY 78 Ca 0.18 -0.30 -0.06 0.00 0.00 0.00 0.00 47.33 47.15 3gux h GLY 78 CO -0.13 0.25 0.04 1.46 0.00 0.00 0.00 176.54 178.15 3gux h GLN 79 N 0.77 0.77 -0.43 4.80 1.08 -0.89 0.25 115.11 121.45 3gux h GLN 79 Ca 0.26 -0.22 -0.03 0.00 -1.45 0.00 0.00 58.65 57.21 3gux h GLN 79 Cb 0.03 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.35 3gux h GLN 79 CO -0.11 0.81 0.15 -0.07 -0.95 0.00 0.00 178.83 178.66 3gux h LEU 80 N 0.62 0.56 0.01 1.46 3.38 -0.98 0.19 115.31 120.56 3gux h LEU 80 Ca 0.13 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 3gux h LEU 80 Cb 0.44 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3gux h LEU 80 CO 0.02 0.53 -0.01 -0.33 0.09 0.00 0.00 178.44 178.74 3gux h GLU 81 N 0.62 -0.02 -0.91 1.13 5.08 -0.99 -1.70 114.58 117.78 3gux h GLU 81 Ca 0.15 0.00 0.14 0.00 -1.00 0.00 0.00 59.36 58.65 3gux h GLU 81 Cb 0.16 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.34 3gux h GLU 81 CO -0.01 0.33 0.59 -0.22 -1.00 0.00 0.00 179.01 178.70 3gux h LYS 82 N -0.37 0.72 -0.86 2.33 3.64 -0.18 -1.78 116.57 120.06 3gux h LYS 82 Ca -0.00 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.28 3gux h LYS 82 Cb 0.36 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 31.98 3gux h LYS 82 CO 0.00 0.48 0.07 1.19 -2.27 0.00 0.00 179.45 178.92 3gux n PHE 83 N -4.58 1.03 -0.97 1.91 3.72 0.03 -4.92 117.46 113.67 3gux n PHE 83 Ca 0.18 -0.52 0.00 0.00 -0.05 0.00 0.00 57.45 57.06 3gux n PHE 83 Cb 0.46 -0.35 0.00 0.00 -0.94 0.00 0.00 39.48 38.65 3gux n PHE 83 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3gux n GLY 84 N 0.15 0.83 3.80 1.37 0.00 -0.67 -4.37 105.19 106.30 3gux n GLY 84 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 3gux n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gux s ALA 85 N -3.40 2.86 -0.37 4.61 0.00 -0.65 -4.92 121.76 119.88 3gux s ALA 85 Ca 0.00 0.60 -0.29 0.00 0.00 0.00 0.00 51.96 52.27 3gux s ALA 85 Cb 0.00 -3.26 0.01 0.00 0.00 0.00 0.00 23.12 19.88 3gux s ALA 85 CO 0.00 -0.35 1.28 0.21 0.00 0.00 0.00 175.76 176.90 3gux s LYS 86 N -3.28 3.78 -0.04 0.00 2.47 0.11 -4.55 119.74 118.23 3gux s LYS 86 Ca 0.67 1.00 -0.27 0.00 -1.56 0.00 0.00 55.97 55.81 3gux s LYS 86 Cb -0.17 -3.92 -0.03 0.00 -1.46 0.00 0.00 37.83 32.26 3gux s LYS 86 CO 0.21 -1.29 0.86 0.08 0.16 0.00 0.00 175.35 175.36 3gux s VAL 87 N 4.66 4.94 -0.17 4.02 1.01 -1.26 -0.99 120.40 132.61 3gux s VAL 87 Ca 0.55 1.79 0.00 0.00 0.00 0.00 0.00 61.98 64.32 3gux s VAL 87 Cb -0.13 -4.20 0.03 0.00 0.00 0.00 0.00 36.38 32.08 3gux s VAL 87 CO 0.27 0.19 -0.11 -0.31 0.00 0.00 0.00 175.10 175.14 3gux s TYR 88 N 1.00 2.21 -0.25 5.22 1.51 0.14 -4.99 117.35 122.19 3gux s TYR 88 Ca 0.45 -1.36 -0.10 0.00 -1.01 0.00 0.00 57.07 55.05 3gux s TYR 88 Cb -0.19 -1.57 -0.05 0.00 -0.11 0.00 0.00 41.96 40.03 3gux s TYR 88 CO 0.23 -0.69 0.16 0.54 -1.11 0.00 0.00 175.55 174.68 3gux s ASN 89 N 1.47 5.98 -0.67 2.29 2.20 -1.26 -0.23 114.94 124.71 3gux s ASN 89 Ca 0.02 0.04 -0.00 0.00 -0.94 0.00 0.00 52.86 51.97 3gux s ASN 89 Cb -0.15 -2.09 0.17 0.00 -2.00 0.00 0.00 41.25 37.18 3gux s ASN 89 CO -0.09 0.02 0.48 -1.58 -2.94 0.00 0.00 177.10 172.99 3gux s GLN 90 N 1.34 2.59 0.13 3.55 0.74 0.52 -4.99 119.66 123.53 3gux s GLN 90 Ca 0.07 -2.83 -0.30 0.00 0.05 0.00 0.00 55.36 52.35 3gux s GLN 90 Cb -0.15 -3.65 -0.06 0.00 1.10 0.00 0.00 33.01 30.25 3gux s GLN 90 CO 0.07 -1.20 0.94 0.71 -0.55 0.00 0.00 175.29 175.26 3gux s TYR 91 N -0.59 3.84 -0.11 1.67 2.02 -1.26 -1.74 117.35 121.17 3gux s TYR 91 Ca 0.20 1.79 -0.24 0.00 -0.37 0.00 0.00 57.07 58.45 3gux s TYR 91 Cb -0.16 -3.02 0.06 0.00 -0.40 0.00 0.00 41.96 38.43 3gux s TYR 91 CO -0.06 0.26 0.59 0.00 -1.57 0.00 0.00 175.55 174.76 3gux s ALA 92 N -0.21 -1.50 -0.49 3.71 0.00 -0.92 -5.01 121.76 117.34 3gux s ALA 92 Ca 0.45 1.31 -0.22 0.00 0.00 0.00 0.00 51.96 53.50 3gux s ALA 92 Cb -0.24 -0.38 0.04 0.00 0.00 0.00 0.00 23.12 22.54 3gux s ALA 92 CO 0.30 -0.32 0.76 -0.51 0.00 0.00 0.00 175.76 175.99 3gux s ASP 93 N -0.62 6.32 -0.20 0.00 1.01 -1.26 -1.37 116.67 120.55 3gux s ASP 93 Ca -0.07 -0.44 -0.05 0.00 0.71 0.00 0.00 52.55 52.69 3gux s ASP 93 Cb -0.03 -2.36 -0.03 0.00 1.01 0.00 0.00 42.92 41.52 3gux s ASP 93 CO 0.05 -0.98 0.01 -0.76 0.21 0.00 0.00 175.17 173.70 3gux s LEU 94 N 3.22 3.31 -0.25 1.23 1.43 -0.67 -4.90 118.68 122.05 3gux s LEU 94 Ca 0.25 -0.17 -0.24 0.00 -1.03 0.00 0.00 54.13 52.94 3gux s LEU 94 Cb -0.14 -1.84 -0.01 0.00 0.03 0.00 0.00 46.19 44.23 3gux s LEU 94 CO 0.18 0.08 0.80 -0.63 0.23 0.00 0.00 176.35 177.01 3gux s ILE 95 N 0.92 4.85 0.88 -0.59 1.09 -1.26 -0.68 121.20 126.41 3gux s ILE 95 Ca 0.01 1.47 -0.13 0.00 -1.10 0.00 0.00 60.65 60.91 3gux s ILE 95 Cb -0.14 -4.10 0.15 0.00 -1.06 0.00 0.00 42.46 37.31 3gux s ILE 95 CO 0.02 -0.09 1.23 0.00 -0.10 0.00 0.00 174.94 176.01 3gux s ALA 96 N 2.82 2.54 0.46 9.38 0.00 0.21 -4.93 121.76 132.26 3gux s ALA 96 Ca 0.34 -1.09 0.16 0.00 0.00 0.00 0.00 51.96 51.37 3gux s ALA 96 Cb -0.15 -2.74 1.13 0.00 0.00 0.00 0.00 23.12 21.36 3gux s ALA 96 CO 0.08 -2.08 2.01 0.10 0.00 0.00 0.00 175.76 175.87 3gux h TYR 97 N -1.32 0.29 -0.73 0.00 -0.00 -1.86 -1.47 116.97 111.88 3gux h TYR 97 Ca -0.44 0.01 0.00 0.00 -0.00 0.00 0.00 58.73 58.30 3gux h TYR 97 Cb 1.27 -0.09 0.00 0.00 -0.00 0.00 0.00 36.73 37.90 3gux h TYR 97 CO -0.59 0.14 0.00 -0.40 -0.00 0.00 0.00 178.16 177.31 3gux n ASP 98 N -4.46 4.02 0.00 0.10 5.75 -1.26 -4.92 116.55 115.78 3gux n ASP 98 Ca 0.08 -2.05 0.00 0.00 -0.01 0.00 0.00 54.79 52.81 3gux n ASP 98 Cb 0.38 -0.50 0.00 0.00 -1.03 0.00 0.00 41.12 39.97 3gux n ASP 98 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3gux n GLY 99 N 1.61 0.66 3.71 6.12 0.00 -0.55 -5.04 105.19 111.70 3gux n GLY 99 Ca 0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 3gux n GLY 99 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gux s THR 100 N -2.41 3.13 -0.54 2.61 2.01 -1.26 -4.73 115.64 114.45 3gux s THR 100 Ca 0.00 0.74 -0.24 0.00 0.31 0.00 0.00 61.69 62.50 3gux s THR 100 Cb 0.00 -3.47 0.04 0.00 0.01 0.00 0.00 72.50 69.08 3gux s THR 100 CO 0.00 0.04 0.93 -0.63 -0.69 0.00 0.00 174.62 174.27 3gux s ILE 101 N 1.60 4.41 -0.23 1.82 1.01 -1.26 -0.61 121.20 127.94 3gux s ILE 101 Ca 0.68 0.29 -0.26 0.00 0.00 0.00 0.00 60.65 61.36 3gux s ILE 101 Cb -0.38 -4.52 -0.00 0.00 0.01 0.00 0.00 42.46 37.56 3gux s ILE 101 CO 0.30 -1.08 0.89 -0.76 0.00 0.00 0.00 174.94 174.29 3gux s LEU 102 N 3.89 4.10 -1.24 2.97 1.43 0.15 -4.88 118.68 125.09 3gux s LEU 102 Ca 0.30 1.15 -0.19 0.00 -1.03 0.00 0.00 54.13 54.36 3gux s LEU 102 Cb -0.13 -3.29 0.07 0.00 0.03 0.00 0.00 46.19 42.87 3gux s LEU 102 CO 0.19 -0.54 1.68 -0.54 0.23 0.00 0.00 176.35 177.37 3gux s LYS 103 N 2.84 3.90 0.39 1.70 -0.14 -1.26 -1.67 119.74 125.49 3gux s LYS 103 Ca 0.38 -1.81 -0.14 0.00 -1.36 0.00 0.00 55.97 53.04 3gux s LYS 103 Cb -0.15 -5.50 -0.08 0.00 -1.68 0.00 0.00 37.83 30.42 3gux s LYS 103 CO 0.08 -2.25 0.80 0.45 -0.76 0.00 0.00 175.35 173.66 3gux s SER 104 N 4.40 6.67 -0.31 2.83 0.15 -0.47 -4.69 113.70 122.28 3gux s SER 104 Ca 0.52 1.29 -0.00 0.00 0.70 0.00 0.00 55.95 58.46 3gux s SER 104 Cb 0.03 -2.38 0.14 0.00 -1.71 0.00 0.00 66.02 62.09 3gux s SER 104 CO 0.04 -0.34 0.29 -0.60 1.20 0.00 0.00 173.24 173.83 3gux s ARG 105 N -3.46 0.37 0.20 5.44 3.52 -1.26 -2.17 118.95 121.58 3gux s ARG 105 Ca 0.54 -0.35 -0.30 0.00 -0.13 0.00 0.00 55.73 55.49 3gux s ARG 105 Cb -0.10 -0.75 -0.08 0.00 -1.56 0.00 0.00 34.95 32.46 3gux s ARG 105 CO 0.24 -1.06 1.02 -0.80 -0.81 0.00 0.00 175.30 173.89 3gux s ASN 106 N 2.13 7.44 -0.15 -2.12 0.01 -0.71 -4.41 114.94 117.13 3gux s ASN 106 Ca 0.11 2.01 0.02 0.00 -0.71 0.00 0.00 52.86 54.29 3gux s ASN 106 Cb -0.15 -2.61 0.01 0.00 0.41 0.00 0.00 41.25 38.91 3gux s ASN 106 CO -0.27 -0.06 -0.20 -0.63 -1.51 0.00 0.00 177.10 174.43 3gux s ILE 107 N -0.62 2.23 -0.06 0.60 1.01 -0.34 -0.35 121.20 123.67 3gux s ILE 107 Ca 0.45 -0.92 0.04 0.00 0.00 0.00 0.00 60.65 60.22 3gux s ILE 107 Cb -0.27 -1.91 0.00 0.00 0.01 0.00 0.00 42.46 40.29 3gux s ILE 107 CO 0.34 0.54 -0.17 -0.63 0.00 0.00 0.00 174.94 175.02 3gux s ILE 108 N 0.87 1.43 -0.19 2.92 1.09 0.68 -0.15 121.20 127.85 3gux s ILE 108 Ca -0.05 -0.69 0.01 0.00 -1.10 0.00 0.00 60.65 58.82 3gux s ILE 108 Cb -0.15 -1.24 0.03 0.00 -1.06 0.00 0.00 42.46 40.03 3gux s ILE 108 CO -0.03 0.41 -0.16 -0.83 -0.10 0.00 0.00 174.94 174.24 3gux s GLY 109 N 0.24 1.36 -0.11 6.18 0.00 0.13 0.26 107.32 115.39 3gux s GLY 109 Ca -0.09 -1.25 -0.04 0.00 0.00 0.00 0.00 44.72 43.35 3gux s GLY 109 CO 0.03 0.46 0.04 0.00 0.00 0.00 0.00 173.10 173.63 3gux s ALA 110 N 1.31 3.41 -0.02 3.20 0.00 -0.16 -0.35 121.76 129.16 3gux s ALA 110 Ca 0.02 -0.76 0.07 0.00 0.00 0.00 0.00 51.96 51.28 3gux s ALA 110 Cb -0.15 -1.63 -0.02 0.00 0.00 0.00 0.00 23.12 21.32 3gux s ALA 110 CO -0.10 0.54 -0.22 0.71 0.00 0.00 0.00 175.76 176.69 3gux s TYR 111 N -0.74 2.46 -0.97 0.00 2.02 0.11 0.08 117.35 120.31 3gux s TYR 111 Ca 0.12 -0.34 -0.13 0.00 -0.37 0.00 0.00 57.07 56.36 3gux s TYR 111 Cb -0.12 -1.53 0.01 0.00 -0.40 0.00 0.00 41.96 39.92 3gux s TYR 111 CO 0.02 0.06 0.69 0.36 -1.57 0.00 0.00 175.55 175.12 3gux n LYS 112 N 2.28 -1.18 0.20 -0.62 0.00 -1.26 -2.63 118.16 114.96 3gux n LYS 112 Ca -0.16 0.67 0.14 0.00 -0.00 0.00 0.00 58.31 58.95 3gux n LYS 112 Cb 0.52 -3.45 0.69 0.00 -0.00 0.00 0.00 35.03 32.79 3gux n LYS 112 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.40 176.05 3gux h PRO 113 N -1.07 0.00 -0.57 -1.58 0.11 -1.94 -2.33 132.00 124.62 3gux h PRO 113 Ca -0.56 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.51 3gux h PRO 113 Cb 1.33 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.41 3gux h PRO 113 CO 0.42 0.00 0.19 0.93 -0.21 0.00 0.00 178.00 179.32 3gux h GLU 114 N 0.00 0.86 -6.24 1.05 5.08 -2.01 -3.44 114.58 109.88 3gux h GLU 114 Ca 0.00 -0.15 -0.56 0.00 -1.00 0.00 0.00 59.36 57.65 3gux h GLU 114 Cb 0.13 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 3gux h GLU 114 CO 0.00 0.74 0.93 0.45 -1.00 0.00 0.00 179.01 180.13 3gux s SER 115 N -6.55 6.85 0.33 1.42 0.15 -0.88 -4.91 113.70 110.12 3gux s SER 115 Ca -0.10 1.95 0.16 0.00 0.70 0.00 0.00 55.95 58.65 3gux s SER 115 Cb 0.16 -2.54 0.54 0.00 -1.71 0.00 0.00 66.02 62.47 3gux s SER 115 CO 0.80 -0.79 1.68 0.07 1.20 0.00 0.00 173.24 176.20 3gux h LYS 116 N 8.48 0.00 -6.51 5.44 -0.00 -1.89 -3.41 116.57 118.67 3gux h LYS 116 Ca -0.33 0.00 -0.57 0.00 -0.00 0.00 0.00 60.65 59.75 3gux h LYS 116 Cb 1.14 0.00 -0.06 0.00 -0.00 0.00 0.00 32.23 33.32 3gux h LYS 116 CO 0.95 0.47 0.96 0.15 -0.00 0.00 0.00 179.45 181.98 3gux s LYS 117 N -3.59 3.79 0.05 0.07 1.02 -1.26 -4.85 119.74 114.96 3gux s LYS 117 Ca -0.00 0.92 -0.04 0.00 0.02 0.00 0.00 55.97 56.87 3gux s LYS 117 Cb 0.12 -3.90 -0.02 0.00 -0.52 0.00 0.00 37.83 33.50 3gux s LYS 117 CO 0.72 -1.29 0.07 1.03 -0.92 0.00 0.00 175.35 174.96 3gux s ARG 118 N 4.38 0.61 -0.09 1.68 0.52 -1.26 -1.31 118.95 123.48 3gux s ARG 118 Ca 0.53 -0.89 0.03 0.00 -0.52 0.00 0.00 55.73 54.89 3gux s ARG 118 Cb -0.12 0.23 -0.01 0.00 0.52 0.00 0.00 34.95 35.57 3gux s ARG 118 CO 0.27 -0.15 -0.20 0.42 0.02 0.00 0.00 175.30 175.66 3gux s ILE 119 N -3.04 2.47 -0.07 1.52 -1.09 -0.54 -0.03 121.20 120.42 3gux s ILE 119 Ca -0.01 -0.89 -0.16 0.00 -2.23 0.00 0.00 60.65 57.35 3gux s ILE 119 Cb 0.01 -1.96 -0.05 0.00 -1.58 0.00 0.00 42.46 38.88 3gux s ILE 119 CO -0.07 0.56 0.43 -0.22 -1.23 0.00 0.00 174.94 174.41 3gux s LEU 120 N 0.06 4.36 -0.08 2.97 2.96 -0.57 -2.01 118.68 126.36 3gux s LEU 120 Ca -0.08 0.84 0.03 0.00 -0.22 0.00 0.00 54.13 54.70 3gux s LEU 120 Cb -0.15 -2.61 0.01 0.00 0.50 0.00 0.00 46.19 43.93 3gux s LEU 120 CO 0.05 0.15 -0.18 -0.76 -1.32 0.00 0.00 176.35 174.29 3gux s LEU 121 N -0.11 1.87 0.18 -0.68 1.43 0.98 -0.22 118.68 122.13 3gux s LEU 121 Ca 0.24 -0.44 -0.09 0.00 -1.03 0.00 0.00 54.13 52.82 3gux s LEU 121 Cb -0.16 -1.13 -0.01 0.00 0.03 0.00 0.00 46.19 44.92 3gux s LEU 121 CO 0.11 0.10 0.29 0.00 0.23 0.00 0.00 176.35 177.08 3gux s ALA 123 N -3.99 -1.86 0.06 0.00 0.00 -1.00 -0.36 121.76 114.60 3gux s ALA 123 Ca 0.20 1.25 -0.07 0.00 0.00 0.00 0.00 51.96 53.33 3gux s ALA 123 Cb 0.03 -0.03 -0.05 0.00 0.00 0.00 0.00 23.12 23.07 3gux s ALA 123 CO 0.02 -0.52 0.33 -3.38 0.00 0.00 0.00 175.76 172.21 3gux s HIS 124 N -2.23 3.56 -0.36 0.00 -3.43 -1.26 -0.67 115.29 110.90 3gux s HIS 124 Ca 0.01 0.63 0.09 0.00 -0.80 0.00 0.00 55.06 54.99 3gux s HIS 124 Cb -0.01 -2.04 -0.11 0.00 -1.43 0.00 0.00 32.58 29.00 3gux s HIS 124 CO -0.04 0.54 0.36 -2.67 -2.00 0.00 0.00 174.74 170.94 3gux n TRP 125 N 0.80 0.00 -1.76 0.38 4.27 -0.47 -4.44 117.44 116.23 3gux n TRP 125 Ca -0.08 0.00 -0.30 0.00 -3.89 0.00 0.00 57.50 53.23 3gux n TRP 125 Cb 0.52 -0.04 0.08 0.00 -1.36 0.00 0.00 31.31 30.51 3gux n TRP 125 CO 0.00 0.00 0.00 0.16 -2.29 0.00 0.00 177.69 175.56 3gux s ASP 126 N -2.10 4.80 0.23 -0.67 -4.77 -1.26 -4.72 116.67 108.19 3gux s ASP 126 Ca 0.02 1.09 0.11 0.00 -3.30 0.00 0.00 52.55 50.47 3gux s ASP 126 Cb 0.07 -1.78 -0.05 0.00 -1.09 0.00 0.00 42.92 40.07 3gux s ASP 126 CO 0.38 -1.75 -0.15 -0.44 0.70 0.00 0.00 175.17 173.92 3gux s SER 127 N -4.25 3.89 0.28 2.11 0.01 -0.11 -4.41 113.70 111.22 3gux s SER 127 Ca 0.60 -0.81 -0.28 0.00 1.31 0.00 0.00 55.95 56.76 3gux s SER 127 Cb -0.12 -0.49 -0.09 0.00 0.21 0.00 0.00 66.02 65.52 3gux s SER 127 CO 0.52 0.07 0.95 -0.60 0.41 0.00 0.00 173.24 174.59 3gux s ARG 128 N -3.19 4.73 0.00 12.44 3.52 -1.26 -4.04 118.95 131.15 3gux s ARG 128 Ca 0.27 1.44 0.00 0.00 -0.13 0.00 0.00 55.73 57.31 3gux s ARG 128 Cb -0.07 -3.08 0.00 0.00 -1.56 0.00 0.00 34.95 30.25 3gux s ARG 128 CO 0.15 0.40 0.00 -2.30 -0.81 0.00 0.00 175.30 172.74 3gux n PRO 129 N 1.09 0.00 0.00 5.12 -0.02 -1.26 -4.86 135.00 135.06 3gux n PRO 129 Ca -0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3gux n PRO 129 Cb 0.48 -1.17 0.00 0.00 -0.02 0.00 0.00 33.50 32.79 3gux n PRO 129 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gux n GLY 150 N 0.77 2.65 0.29 -1.23 0.00 -1.26 -5.07 105.19 101.34 3gux n GLY 150 Ca 0.00 -0.50 0.07 0.00 0.00 0.00 0.00 46.02 45.59 3gux n GLY 150 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gux h ALA 151 N 0.00 1.17 -0.24 4.61 0.00 -1.84 -2.79 119.26 120.17 3gux h ALA 151 Ca 0.00 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3gux h ALA 151 Cb 0.00 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3gux h ALA 151 CO 0.00 -0.22 0.05 0.66 0.00 0.00 0.00 179.25 179.74 3gux h SER 152 N 0.46 0.36 -0.45 0.00 4.64 -1.94 0.31 113.55 116.93 3gux h SER 152 Ca 0.46 -0.24 -0.03 0.00 -0.47 0.00 0.00 61.79 61.51 3gux h SER 152 Cb 0.73 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.71 3gux h SER 152 CO -0.43 0.50 0.16 1.23 -0.87 0.00 0.00 176.83 177.42 3gux h GLY 153 N 0.20 0.73 0.96 -0.77 0.00 -1.74 -2.03 103.07 100.42 3gux h GLY 153 Ca 0.07 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 46.98 3gux h GLY 153 CO 0.00 0.39 0.20 -2.08 0.00 0.00 0.00 176.54 175.05 3gux h VAL 154 N 0.58 1.15 -0.65 4.60 2.07 -1.22 -2.12 116.25 120.67 3gux h VAL 154 Ca 0.15 -0.42 0.04 0.00 0.82 0.00 0.00 66.70 67.29 3gux h VAL 154 Cb 0.23 0.73 -0.05 0.00 -1.52 0.00 0.00 31.29 30.69 3gux h VAL 154 CO -0.01 0.16 0.39 1.23 0.02 0.00 0.00 177.57 179.36 3gux h GLY 155 N 0.49 0.95 1.00 2.17 0.00 -0.23 -0.63 103.07 106.81 3gux h GLY 155 Ca 0.13 -0.29 -0.03 0.00 0.00 0.00 0.00 47.33 47.15 3gux h GLY 155 CO -0.02 0.22 0.28 -2.08 0.00 0.00 0.00 176.54 174.94 3gux h VAL 156 N 0.75 1.23 -0.27 4.60 2.07 -1.23 -2.54 116.25 120.87 3gux h VAL 156 Ca 0.27 -0.68 -0.09 0.00 0.82 0.00 0.00 66.70 67.02 3gux h VAL 156 Cb 0.08 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 3gux h VAL 156 CO -0.13 0.27 -0.22 -0.07 0.02 0.00 0.00 177.57 177.44 3gux h LEU 157 N 0.90 0.49 -0.49 2.57 3.38 -0.91 -0.75 115.31 120.50 3gux h LEU 157 Ca 0.22 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 3gux h LEU 157 Cb 0.16 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3gux h LEU 157 CO -0.02 0.71 0.17 -0.07 0.09 0.00 0.00 178.44 179.32 3gux h LEU 158 N 0.44 0.70 -0.85 1.67 3.38 -0.98 0.12 115.31 119.79 3gux h LEU 158 Ca 0.07 -0.19 -0.07 0.00 0.09 0.00 0.00 57.88 57.78 3gux h LEU 158 Cb 0.63 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 3gux h LEU 158 CO 0.04 0.70 0.07 -0.08 0.09 0.00 0.00 178.44 179.27 3gux h GLU 159 N 0.66 0.93 -0.77 1.13 4.57 -1.17 -1.02 114.58 118.92 3gux h GLU 159 Ca 0.16 -0.24 -0.04 0.00 -1.18 0.00 0.00 59.36 58.07 3gux h GLU 159 Cb 0.24 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 28.68 3gux h GLU 159 CO -0.01 0.88 0.33 0.82 -1.18 0.00 0.00 179.01 179.84 3gux h ILE 160 N 0.87 1.25 -0.24 2.32 2.04 -0.76 -2.42 117.51 120.57 3gux h ILE 160 Ca 0.18 -0.76 0.03 0.00 1.00 0.00 0.00 64.86 65.31 3gux h ILE 160 Cb 0.42 0.31 -0.03 0.00 -0.74 0.00 0.00 36.82 36.78 3gux h ILE 160 CO 0.01 0.31 0.06 0.00 0.00 0.00 0.00 178.15 178.54 3gux h ALA 161 N 1.25 0.26 -0.98 1.87 0.00 -0.04 0.41 119.26 122.02 3gux h ALA 161 Ca 0.26 0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.24 3gux h ALA 161 Cb 0.17 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.95 3gux h ALA 161 CO -0.03 -0.36 0.64 -0.09 0.00 0.00 0.00 179.25 179.42 3gux h ARG 162 N 0.16 1.21 -0.20 0.00 2.43 -1.01 -0.25 114.38 116.72 3gux h ARG 162 Ca 0.11 -0.07 -0.15 0.00 -0.81 0.00 0.00 59.98 59.05 3gux h ARG 162 Cb 0.10 -0.27 -0.01 0.00 -0.42 0.00 0.00 29.97 29.37 3gux h ARG 162 CO -0.13 0.80 -0.51 1.96 -1.51 0.00 0.00 179.97 180.58 3gux h GLN 163 N 1.25 0.55 -0.63 0.20 1.08 -0.95 -2.34 115.11 114.26 3gux h GLN 163 Ca 0.39 -0.33 -0.01 0.00 -1.45 0.00 0.00 58.65 57.25 3gux h GLN 163 Cb -0.00 0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.43 3gux h GLN 163 CO -0.12 0.93 0.34 0.82 -0.95 0.00 0.00 178.83 179.85 3gux h ILE 164 N 0.43 1.20 -0.39 2.54 2.04 0.03 0.82 117.51 124.19 3gux h ILE 164 Ca 0.02 -0.51 0.06 0.00 1.00 0.00 0.00 64.86 65.42 3gux h ILE 164 Cb 1.04 0.39 -0.05 0.00 -0.74 0.00 0.00 36.82 37.45 3gux h ILE 164 CO 0.10 0.22 0.06 -0.61 0.00 0.00 0.00 178.15 177.92 3gux h GLN 165 N 0.86 0.18 -0.30 2.37 4.15 -0.86 -2.59 115.11 118.92 3gux h GLN 165 Ca 0.22 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.60 3gux h GLN 165 Cb 0.05 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.68 3gux h GLN 165 CO -0.04 0.12 0.05 0.87 -1.93 0.00 0.00 178.83 177.91 3gux h LYS 166 N 0.19 0.49 -2.46 1.69 6.56 -0.86 -3.42 116.57 118.76 3gux h LYS 166 Ca 0.19 -0.13 -0.29 0.00 -1.06 0.00 0.00 60.65 59.35 3gux h LYS 166 Cb 0.23 -0.06 -0.35 0.00 -0.57 0.00 0.00 32.23 31.48 3gux h LYS 166 CO -0.26 0.59 -0.60 -2.00 -2.06 0.00 0.00 179.45 175.12 3gux s GLU 167 N -5.20 0.21 0.11 3.15 2.12 0.23 -5.11 118.70 114.21 3gux s GLU 167 Ca -0.13 0.27 -0.29 0.00 0.36 0.00 0.00 54.97 55.17 3gux s GLU 167 Cb 0.08 -1.07 -0.06 0.00 0.26 0.00 0.00 34.13 33.34 3gux s GLU 167 CO 0.75 -0.64 0.94 -0.65 -0.54 0.00 0.00 175.26 175.12 3gux s GLN 168 N 2.36 4.69 1.08 4.30 -0.21 -1.00 -4.28 119.66 126.60 3gux s GLN 168 Ca 0.07 1.41 -0.17 0.00 0.02 0.00 0.00 55.36 56.70 3gux s GLN 168 Cb -0.16 -3.37 0.23 0.00 1.00 0.00 0.00 33.01 30.72 3gux s GLN 168 CO -0.12 0.24 1.16 -1.25 -2.12 0.00 0.00 175.29 173.20 3gux s PRO 169 N -0.10 -0.26 0.03 2.91 0.04 -1.26 -4.99 135.00 131.37 3gux s PRO 169 Ca 0.46 -0.03 -0.25 0.00 0.04 0.00 0.00 61.00 61.22 3gux s PRO 169 Cb -0.23 -1.71 -0.18 0.00 0.04 0.00 0.00 34.50 32.43 3gux s PRO 169 CO 0.29 -3.08 1.45 0.00 0.04 0.00 0.00 177.00 175.70 3gux h ALA 170 N -2.13 -0.10 -2.34 8.56 0.00 -1.85 -3.44 119.26 117.96 3gux h ALA 170 Ca -0.47 -0.14 -0.51 0.00 0.00 0.00 0.00 54.91 53.79 3gux h ALA 170 Cb 1.29 0.04 0.07 0.00 0.00 0.00 0.00 17.79 19.19 3gux h ALA 170 CO 0.42 -0.42 0.40 -0.51 0.00 0.00 0.00 179.25 179.14 3gux s LEU 171 N -9.65 3.21 0.35 0.00 1.02 -1.26 -5.04 118.68 107.31 3gux s LEU 171 Ca -0.15 1.52 -0.26 0.00 0.02 0.00 0.00 54.13 55.26 3gux s LEU 171 Cb 0.03 -4.48 -0.09 0.00 0.02 0.00 0.00 46.19 41.67 3gux s LEU 171 CO 0.65 -1.11 1.09 -0.83 0.02 0.00 0.00 176.35 176.17 3gux s GLY 172 N -3.93 2.89 -0.05 -3.19 0.00 -0.43 -4.91 107.32 97.70 3gux s GLY 172 Ca 0.57 0.83 0.05 0.00 0.00 0.00 0.00 44.72 46.17 3gux s GLY 172 CO 0.53 1.34 -0.21 -0.42 0.00 0.00 0.00 173.10 174.34 3gux s ILE 173 N -1.42 2.47 -0.14 0.90 -1.09 -1.08 -1.47 121.20 119.38 3gux s ILE 173 Ca 0.52 -0.93 0.00 0.00 -2.23 0.00 0.00 60.65 58.02 3gux s ILE 173 Cb -0.27 -1.93 -0.01 0.00 -1.58 0.00 0.00 42.46 38.67 3gux s ILE 173 CO 0.35 0.58 -0.15 -1.81 -1.23 0.00 0.00 174.94 172.67 3gux s ASP 174 N -0.43 3.71 -0.29 3.58 1.01 -0.85 0.08 116.67 123.48 3gux s ASP 174 Ca 0.05 -0.44 -0.08 0.00 0.71 0.00 0.00 52.55 52.79 3gux s ASP 174 Cb -0.12 -1.56 -0.01 0.00 1.01 0.00 0.00 42.92 42.24 3gux s ASP 174 CO 0.01 0.12 0.11 -0.63 0.21 0.00 0.00 175.17 174.99 3gux s ILE 175 N 0.63 4.35 -0.15 0.77 1.01 0.53 -0.02 121.20 128.33 3gux s ILE 175 Ca -0.08 -0.42 0.01 0.00 0.00 0.00 0.00 60.65 60.16 3gux s ILE 175 Cb -0.16 -3.17 0.02 0.00 0.01 0.00 0.00 42.46 39.16 3gux s ILE 175 CO 0.03 0.15 -0.18 -0.69 0.00 0.00 0.00 174.94 174.25 3gux s VAL 176 N 1.58 1.81 -0.36 2.92 1.01 -0.27 0.19 120.40 127.29 3gux s VAL 176 Ca 0.05 -0.80 -0.13 0.00 0.00 0.00 0.00 61.98 61.10 3gux s VAL 176 Cb -0.16 -1.64 -0.00 0.00 0.00 0.00 0.00 36.38 34.57 3gux s VAL 176 CO 0.04 0.50 0.24 -0.36 0.00 0.00 0.00 175.10 175.52 3gux s PHE 177 N 1.18 3.23 0.13 5.22 0.08 0.78 -2.39 117.98 126.21 3gux s PHE 177 Ca -0.00 -0.42 -0.27 0.00 0.12 0.00 0.00 56.93 56.37 3gux s PHE 177 Cb -0.14 -2.48 -0.07 0.00 -0.57 0.00 0.00 43.02 39.76 3gux s PHE 177 CO -0.08 -0.45 0.83 -0.06 -0.10 0.00 0.00 175.22 175.36 3gux s PHE 178 N 1.68 3.85 0.46 0.36 0.08 0.15 -1.19 117.98 123.38 3gux s PHE 178 Ca 0.05 1.66 0.08 0.00 0.12 0.00 0.00 56.93 58.84 3gux s PHE 178 Cb -0.18 -2.86 0.03 0.00 -0.57 0.00 0.00 43.02 39.44 3gux s PHE 178 CO 0.09 0.38 0.63 0.34 -0.10 0.00 0.00 175.22 176.57 3gux s ASP 179 N -0.62 5.50 -1.42 1.36 2.15 -1.26 -1.36 116.67 121.01 3gux s ASP 179 Ca 0.39 -0.53 -0.08 0.00 0.43 0.00 0.00 52.55 52.76 3gux s ASP 179 Cb -0.23 -0.40 0.04 0.00 -0.30 0.00 0.00 42.92 42.03 3gux s ASP 179 CO 0.27 -0.93 0.93 -1.20 -0.17 0.00 0.00 175.17 174.07 3gux n SER 180 N -1.97 -3.81 -0.04 -0.34 7.64 -1.26 -2.14 113.62 111.70 3gux n SER 180 Ca 0.10 -0.75 -0.12 0.00 1.01 0.00 0.00 58.87 59.11 3gux n SER 180 Cb 0.60 -4.17 -0.14 0.00 -1.01 0.00 0.00 64.21 59.48 3gux n SER 180 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 3gux n GLU 181 N -4.59 0.67 -1.38 1.43 0.00 -1.26 -1.18 120.64 114.34 3gux n GLU 181 Ca -0.08 0.22 -0.11 0.00 0.00 0.00 0.00 57.16 57.19 3gux n GLU 181 Cb 0.58 -1.71 0.11 0.00 0.00 0.00 0.00 31.44 30.42 3gux n GLU 181 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 3gux n ASP 182 N -3.08 3.58 -0.08 4.31 -0.08 -1.26 -1.16 116.55 118.77 3gux n ASP 182 Ca -0.25 -3.82 0.02 0.00 -1.51 0.00 0.00 54.79 49.24 3gux n ASP 182 Cb 1.07 -0.45 -0.01 0.00 2.34 0.00 0.00 41.12 44.08 3gux n ASP 182 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3gux n TYR 183 N -0.90 0.00 0.21 -0.67 4.19 -1.26 -4.48 117.16 114.26 3gux n TYR 183 Ca 0.34 0.00 0.08 0.00 3.31 0.00 0.00 57.90 61.63 3gux n TYR 183 Cb 0.86 0.00 0.47 0.00 0.49 0.00 0.00 39.34 41.15 3gux n TYR 183 CO 0.00 0.00 0.00 -0.56 0.91 0.00 0.00 176.86 177.21 3gux h GLN 195 N 0.41 0.00 0.00 2.98 -0.00 -2.07 -3.45 115.11 112.99 3gux h GLN 195 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 3gux h GLN 195 Cb 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.63 3gux h GLN 195 CO 0.00 0.28 0.00 -0.25 -0.00 0.00 0.00 178.83 178.86 3gux n ASP 196 N -3.65 0.00 -0.27 0.06 8.00 -1.26 -2.77 116.55 116.66 3gux n ASP 196 Ca -0.01 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.61 3gux n ASP 196 Cb 0.40 0.00 0.27 0.00 -0.02 0.00 0.00 41.12 41.77 3gux n ASP 196 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3gux n THR 197 N -0.73 0.00 -2.43 -3.53 -2.24 -1.26 -4.86 114.28 99.23 3gux n THR 197 Ca 0.00 -0.14 -0.24 0.00 -2.27 0.00 0.00 64.05 61.40 3gux n THR 197 Cb 0.00 0.60 0.05 0.00 -2.10 0.00 0.00 70.33 68.88 3gux n THR 197 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 3gux s TRP 198 N -2.55 2.92 -1.39 4.78 0.52 -1.11 -4.62 118.94 117.48 3gux s TRP 198 Ca 0.21 0.25 -0.05 0.00 0.02 0.00 0.00 56.10 56.53 3gux s TRP 198 Cb 0.19 -2.94 0.03 0.00 -1.15 0.00 0.00 33.47 29.59 3gux s TRP 198 CO 0.56 -1.10 0.77 0.00 0.02 0.00 0.00 176.95 177.19 3gux h LEU 200 N -1.94 0.45 -0.33 0.00 3.38 -1.37 -1.47 115.31 114.02 3gux h LEU 200 Ca -0.60 -0.28 -0.11 0.00 0.09 0.00 0.00 57.88 56.98 3gux h LEU 200 Cb 1.37 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.98 3gux h LEU 200 CO 0.61 0.99 -0.21 1.23 0.09 0.00 0.00 178.44 181.15 3gux h GLY 201 N 1.31 0.79 1.43 0.83 0.00 -1.51 -1.09 103.07 104.82 3gux h GLY 201 Ca -0.02 -0.75 -0.19 0.00 0.00 0.00 0.00 47.33 46.37 3gux h GLY 201 CO 0.11 0.68 -0.71 1.48 0.00 0.00 0.00 176.54 178.11 3gux h SER 202 N 0.50 0.67 -0.58 0.19 4.64 -1.75 0.28 113.55 117.50 3gux h SER 202 Ca 0.07 -0.42 0.05 0.00 -0.47 0.00 0.00 61.79 61.02 3gux h SER 202 Cb 0.76 -0.20 -0.05 0.00 -0.31 0.00 0.00 62.40 62.61 3gux h SER 202 CO 0.06 1.18 0.30 1.56 -0.87 0.00 0.00 176.83 179.06 3gux h GLN 203 N 0.40 0.55 0.20 4.77 4.20 -1.23 0.54 115.11 124.54 3gux h GLN 203 Ca -0.03 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 3gux h GLN 203 Cb 1.29 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.95 3gux h GLN 203 CO 0.13 0.37 -0.10 -0.92 -0.67 0.00 0.00 178.83 177.64 3gux h TYR 204 N 0.57 -0.25 0.02 2.96 3.20 -0.95 -2.39 116.97 120.12 3gux h TYR 204 Ca 0.26 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.12 3gux h TYR 204 Cb 0.17 0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.52 3gux h TYR 204 CO -0.10 -0.09 -0.01 2.35 -1.64 0.00 0.00 178.16 178.67 3gux h TRP 205 N -0.36 -0.02 -0.34 -3.82 7.01 0.02 -2.14 115.95 116.30 3gux h TRP 205 Ca -0.03 -0.00 -0.02 0.00 2.11 0.00 0.00 58.89 60.95 3gux h TRP 205 Cb 0.27 0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 27.33 3gux h TRP 205 CO -0.04 0.02 0.14 0.00 -2.79 0.00 0.00 178.44 175.77 3gux h ALA 206 N 0.93 0.44 -0.40 2.65 0.00 0.03 -0.15 119.26 122.74 3gux h ALA 206 Ca -0.00 -0.13 0.08 0.00 0.00 0.00 0.00 54.91 54.86 3gux h ALA 206 Cb 0.05 -0.13 -0.08 0.00 0.00 0.00 0.00 17.79 17.63 3gux h ALA 206 CO 0.00 0.03 -0.09 0.07 0.00 0.00 0.00 179.25 179.26 3gux h ARG 207 N 0.40 0.01 -2.69 0.00 -0.00 -1.32 -3.12 114.38 107.65 3gux h ARG 207 Ca 0.11 -0.00 -0.59 0.00 -0.00 0.00 0.00 59.98 59.50 3gux h ARG 207 Cb 0.18 -0.00 -0.39 0.00 -0.00 0.00 0.00 29.97 29.75 3gux h ARG 207 CO -0.01 0.00 -0.83 0.95 -0.00 0.00 0.00 179.97 180.09 3gux s THR 208 N -6.22 0.75 1.23 0.08 -4.23 -0.82 -4.89 115.64 101.54 3gux s THR 208 Ca -0.14 -2.34 -0.14 0.00 -1.18 0.00 0.00 61.69 57.89 3gux s THR 208 Cb 0.14 -1.53 0.31 0.00 1.34 0.00 0.00 72.50 72.77 3gux s THR 208 CO 0.71 -1.02 0.97 -2.65 -0.54 0.00 0.00 174.62 172.09 3gux n PRO 209 N 3.49 -2.85 0.29 3.99 -0.02 -0.09 -4.58 135.00 135.22 3gux n PRO 209 Ca 0.15 -0.81 0.17 0.00 -2.02 0.00 0.00 63.50 61.00 3gux n PRO 209 Cb 0.39 -2.12 0.78 0.00 -0.02 0.00 0.00 33.50 32.53 3gux n PRO 209 CO 0.00 0.00 0.00 1.12 1.98 0.00 0.00 175.50 178.60 3gux h HIS 210 N -2.84 0.00 -4.00 6.00 2.07 -1.97 -3.41 115.15 110.99 3gux h HIS 210 Ca -0.62 0.00 -0.46 0.00 -2.85 0.00 0.00 60.37 56.44 3gux h HIS 210 Cb 1.34 0.00 -0.23 0.00 2.57 0.00 0.00 27.41 31.09 3gux h HIS 210 CO -0.07 0.03 -0.80 0.14 -3.07 0.00 0.00 177.93 174.16 3gux s VAL 211 N -3.81 1.26 0.30 6.12 -7.23 -1.26 -5.12 120.40 110.65 3gux s VAL 211 Ca -0.01 -1.21 -0.29 0.00 -1.81 0.00 0.00 61.98 58.67 3gux s VAL 211 Cb 0.10 -1.16 -0.10 0.00 0.56 0.00 0.00 36.38 35.79 3gux s VAL 211 CO 0.53 -0.06 1.12 -1.10 -0.31 0.00 0.00 175.10 175.27 3gux s GLN 212 N -1.47 4.55 -0.97 4.82 -1.52 -1.26 -2.99 119.66 120.82 3gux s GLN 212 Ca 0.02 1.82 0.00 0.00 -1.95 0.00 0.00 55.36 55.25 3gux s GLN 212 Cb -0.09 -3.11 0.00 0.00 -0.22 0.00 0.00 33.01 29.59 3gux s GLN 212 CO 0.02 0.13 0.00 0.09 -0.25 0.00 0.00 175.29 175.28 3gux n ASN 213 N 1.01 -4.33 -4.63 5.90 3.02 -1.26 -4.96 115.26 110.01 3gux n ASN 213 Ca -0.00 0.23 -0.48 0.00 -0.03 0.00 0.00 54.58 54.30 3gux n ASN 213 Cb 0.45 -2.63 -0.04 0.00 -0.61 0.00 0.00 39.78 36.95 3gux n ASN 213 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gux n TYR 214 N -2.66 1.82 -3.90 3.10 9.36 -1.16 -5.00 117.16 118.72 3gux n TYR 214 Ca -0.09 0.50 -0.10 0.00 3.32 0.00 0.00 57.90 61.53 3gux n TYR 214 Cb 0.34 -2.40 -0.09 0.00 -0.63 0.00 0.00 39.34 36.55 3gux n TYR 214 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 3gux s ASN 215 N 0.40 0.13 0.01 2.98 2.47 -1.26 -5.00 114.94 114.68 3gux s ASN 215 Ca 0.76 -0.47 -0.05 0.00 0.42 0.00 0.00 52.86 53.52 3gux s ASN 215 Cb -0.78 0.24 -0.01 0.00 -1.45 0.00 0.00 41.25 39.26 3gux s ASN 215 CO 0.47 -0.51 0.08 0.00 -3.72 0.00 0.00 177.10 173.42 3gux s ALA 216 N -2.50 -0.14 0.16 1.71 0.00 -1.26 -4.75 121.76 114.97 3gux s ALA 216 Ca -0.06 -0.34 -0.16 0.00 0.00 0.00 0.00 51.96 51.40 3gux s ALA 216 Cb -0.02 0.14 0.07 0.00 0.00 0.00 0.00 23.12 23.32 3gux s ALA 216 CO -0.04 -0.21 1.74 -0.09 0.00 0.00 0.00 175.76 177.16 3gux h ARG 217 N 4.31 0.22 -2.79 0.00 2.43 -0.79 -3.46 114.38 114.31 3gux h ARG 217 Ca -0.31 -0.01 0.08 0.00 -0.81 0.00 0.00 59.98 58.92 3gux h ARG 217 Cb 1.20 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.66 3gux h ARG 217 CO 0.42 0.15 0.35 1.52 -1.51 0.00 0.00 179.97 180.90 3gux s TYR 218 N -6.16 -0.05 0.12 2.20 -0.85 -1.26 -4.58 117.35 106.76 3gux s TYR 218 Ca -0.13 -0.43 0.07 0.00 -0.52 0.00 0.00 57.07 56.07 3gux s TYR 218 Cb 0.12 0.73 -0.04 0.00 0.38 0.00 0.00 41.96 43.16 3gux s TYR 218 CO 0.71 -1.20 -0.18 0.20 -1.52 0.00 0.00 175.55 173.56 3gux s GLY 219 N -3.03 1.20 -0.15 5.49 0.00 0.01 -1.51 107.32 109.33 3gux s GLY 219 Ca 0.14 -1.30 0.00 0.00 0.00 0.00 0.00 44.72 43.57 3gux s GLY 219 CO 0.07 -1.33 -0.14 -0.42 0.00 0.00 0.00 173.10 171.28 3gux s ILE 220 N -1.64 1.58 -0.18 0.90 1.01 0.70 -0.98 121.20 122.60 3gux s ILE 220 Ca 0.09 -0.64 -0.08 0.00 0.00 0.00 0.00 60.65 60.01 3gux s ILE 220 Cb -0.08 -1.48 -0.04 0.00 0.01 0.00 0.00 42.46 40.87 3gux s ILE 220 CO 0.04 0.46 0.11 -0.22 0.00 0.00 0.00 174.94 175.33 3gux s LEU 221 N 1.44 4.09 -0.24 2.97 2.96 0.90 -0.76 118.68 130.04 3gux s LEU 221 Ca 0.04 0.22 -0.06 0.00 -0.22 0.00 0.00 54.13 54.11 3gux s LEU 221 Cb -0.13 -2.04 -0.02 0.00 0.50 0.00 0.00 46.19 44.51 3gux s LEU 221 CO -0.10 0.22 0.03 -0.76 -1.32 0.00 0.00 176.35 174.42 3gux s LEU 222 N 0.08 3.27 -0.34 -0.68 1.43 0.51 -0.42 118.68 122.53 3gux s LEU 222 Ca 0.08 -0.33 0.16 0.00 -1.03 0.00 0.00 54.13 53.00 3gux s LEU 222 Cb -0.12 -1.85 0.43 0.00 0.03 0.00 0.00 46.19 44.69 3gux s LEU 222 CO -0.00 -0.05 0.91 -0.67 0.23 0.00 0.00 176.35 176.77 3gux n ASP 223 N 4.87 1.52 0.00 2.29 -0.08 -0.61 -4.43 116.55 120.11 3gux n ASP 223 Ca -0.17 -2.85 0.00 0.00 -1.51 0.00 0.00 54.79 50.26 3gux n ASP 223 Cb 0.51 -0.55 0.00 0.00 2.34 0.00 0.00 41.12 43.42 3gux n ASP 223 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 3gux n VAL 225 N -0.01 0.00 0.24 5.18 0.24 -1.26 -3.53 118.33 119.19 3gux n VAL 225 Ca 0.15 0.00 0.03 0.00 -2.04 0.00 0.00 64.34 62.47 3gux n VAL 225 Cb 0.77 0.00 -0.01 0.00 -1.47 0.00 0.00 33.84 33.13 3gux n VAL 225 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3gux n GLY 226 N 0.00 0.00 3.77 7.63 0.00 -1.26 -4.13 105.19 111.20 3gux n GLY 226 Ca 0.00 -0.15 -0.39 0.00 0.00 0.00 0.00 46.02 45.48 3gux n GLY 226 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gux s GLY 227 N -1.11 2.89 0.18 -0.02 0.00 -1.26 0.30 107.32 108.31 3gux s GLY 227 Ca 0.04 1.02 -0.33 0.00 0.00 0.00 0.00 44.72 45.44 3gux s GLY 227 CO 0.16 1.55 1.67 1.17 0.00 0.00 0.00 173.10 177.65 3gux n LYS 228 N 0.19 2.52 -3.17 2.90 4.81 -0.48 -1.89 118.16 123.04 3gux n LYS 228 Ca 0.04 0.91 -0.23 0.00 -0.87 0.00 0.00 58.31 58.16 3gux n LYS 228 Cb 0.46 -2.72 0.02 0.00 0.02 0.00 0.00 35.03 32.80 3gux n LYS 228 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3gux n ASP 229 N 3.81 -5.23 -4.72 3.14 8.00 -1.26 -4.95 116.55 115.34 3gux n ASP 229 Ca 0.17 -0.33 -0.35 0.00 0.71 0.00 0.00 54.79 54.98 3gux n ASP 229 Cb 0.32 -4.25 0.09 0.00 -0.02 0.00 0.00 41.12 37.26 3gux n ASP 229 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gux s ALA 230 N -3.09 2.16 -0.14 2.24 0.00 -0.79 -5.02 121.76 117.12 3gux s ALA 230 Ca 0.35 0.96 -0.01 0.00 0.00 0.00 0.00 51.96 53.25 3gux s ALA 230 Cb -0.17 -3.49 0.04 0.00 0.00 0.00 0.00 23.12 19.50 3gux s ALA 230 CO 0.43 -1.84 -0.01 0.95 0.00 0.00 0.00 175.76 175.29 3gux s THR 231 N -1.85 0.67 -0.46 0.00 -4.23 -1.26 -4.47 115.64 104.04 3gux s THR 231 Ca 0.76 -0.31 -0.17 0.00 -1.18 0.00 0.00 61.69 60.79 3gux s THR 231 Cb -0.31 -0.93 0.05 0.00 1.34 0.00 0.00 72.50 72.65 3gux s THR 231 CO 0.44 0.10 0.46 -0.36 -0.54 0.00 0.00 174.62 174.72 3gux s PHE 232 N 1.83 3.17 0.52 3.99 0.08 0.11 -1.41 117.98 126.26 3gux s PHE 232 Ca 0.02 -0.61 -0.01 0.00 0.12 0.00 0.00 56.93 56.45 3gux s PHE 232 Cb -0.14 -3.12 0.02 0.00 -0.57 0.00 0.00 43.02 39.20 3gux s PHE 232 CO -0.07 -0.81 0.76 0.71 -0.10 0.00 0.00 175.22 175.71 3gux s TYR 233 N 2.06 3.07 -0.27 0.36 1.51 -1.26 -1.48 117.35 121.35 3gux s TYR 233 Ca 0.10 0.20 -0.28 0.00 -1.01 0.00 0.00 57.07 56.08 3gux s TYR 233 Cb -0.20 -2.58 -0.03 0.00 -0.11 0.00 0.00 41.96 39.04 3gux s TYR 233 CO 0.11 -0.67 1.91 0.71 -1.11 0.00 0.00 175.55 176.50 3gux s TYR 234 N -2.73 1.62 0.24 2.71 2.02 0.60 -4.75 117.35 117.06 3gux s TYR 234 Ca 0.53 0.55 -0.30 0.00 -0.37 0.00 0.00 57.07 57.48 3gux s TYR 234 Cb -0.10 -4.06 -0.09 0.00 -0.40 0.00 0.00 41.96 37.31 3gux s TYR 234 CO 0.39 -3.40 1.11 -2.00 -1.57 0.00 0.00 175.55 170.08 3gux s GLU 235 N 5.72 4.61 0.15 -0.62 -6.30 -1.26 0.06 118.70 121.06 3gux s GLU 235 Ca 0.86 1.78 -0.24 0.00 -2.50 0.00 0.00 54.97 54.87 3gux s GLU 235 Cb -0.27 -3.22 0.02 0.00 0.00 0.00 0.00 34.13 30.66 3gux s GLU 235 CO 0.34 0.14 1.61 0.78 0.02 0.00 0.00 175.26 178.15 3gux h GLY 236 N 4.37 -0.32 0.88 -1.50 0.00 -1.24 0.39 103.07 105.66 3gux h GLY 236 Ca -0.46 0.39 -0.02 0.00 0.00 0.00 0.00 47.33 47.24 3gux h GLY 236 CO 0.69 -0.21 0.07 -1.82 0.00 0.00 0.00 176.54 175.27 3gux h TYR 237 N -0.31 0.40 -0.99 5.60 3.20 -1.88 -2.80 116.97 120.18 3gux h TYR 237 Ca 0.14 -0.04 0.12 0.00 3.14 0.00 0.00 58.73 62.08 3gux h TYR 237 Cb 0.53 -0.11 -0.08 0.00 1.54 0.00 0.00 36.73 38.60 3gux h TYR 237 CO -0.47 0.46 0.62 0.77 -1.64 0.00 0.00 178.16 177.91 3gux h SER 238 N 0.22 0.92 0.90 -2.11 0.02 -1.75 -1.00 113.55 110.75 3gux h SER 238 Ca 0.08 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 3gux h SER 238 Cb 0.26 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.66 3gux h SER 238 CO -0.00 0.49 0.00 0.00 -1.14 0.00 0.00 176.83 176.18 3gux n ALA 239 N -2.35 1.83 0.31 3.77 0.00 0.10 0.96 120.51 125.12 3gux n ALA 239 Ca 0.18 0.04 0.05 0.00 0.00 0.00 0.00 53.44 53.72 3gux n ALA 239 Cb 0.34 -1.40 -0.07 0.00 0.00 0.00 0.00 19.45 18.32 3gux n ALA 239 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3gux n ARG 240 N -2.17 2.20 -0.00 0.00 1.85 -0.73 -4.40 116.66 113.41 3gux n ARG 240 Ca 0.03 -0.04 0.05 0.00 -1.00 0.00 0.00 57.85 56.89 3gux n ARG 240 Cb 0.28 -1.11 -0.07 0.00 -1.05 0.00 0.00 32.46 30.51 3gux n ARG 240 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 3gux n THR 241 N -1.51 0.00 -2.70 8.89 -2.24 -0.46 -4.83 114.28 111.43 3gux n THR 241 Ca 0.00 -0.22 -0.06 0.00 -2.27 0.00 0.00 64.05 61.50 3gux n THR 241 Cb 0.22 0.40 0.08 0.00 -2.10 0.00 0.00 70.33 68.92 3gux n THR 241 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gux n ALA 242 N -1.72 2.52 0.22 6.98 0.00 0.27 -4.72 120.51 124.05 3gux n ALA 242 Ca -0.01 -2.19 -0.15 0.00 0.00 0.00 0.00 53.44 51.09 3gux n ALA 242 Cb 0.22 -0.93 -0.08 0.00 0.00 0.00 0.00 19.45 18.66 3gux n ALA 242 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gux h ARG 243 N 2.34 -0.49 -0.58 0.00 3.08 -1.74 -3.07 114.38 113.92 3gux h ARG 243 Ca -0.21 0.03 0.11 0.00 0.07 0.00 0.00 59.98 59.98 3gux h ARG 243 Cb 1.25 0.11 -0.11 0.00 0.08 0.00 0.00 29.97 31.30 3gux h ARG 243 CO 0.17 -0.30 -0.24 1.03 -1.07 0.00 0.00 179.97 179.55 3gux h SER 244 N -0.54 -0.86 0.00 7.04 0.87 -1.94 0.42 113.55 118.54 3gux h SER 244 Ca -0.05 0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 3gux h SER 244 Cb 0.41 0.47 0.00 0.00 -0.44 0.00 0.00 62.40 62.84 3gux h SER 244 CO 0.08 -0.26 0.00 -0.62 -0.53 0.00 0.00 176.83 175.50 3gux n GLU 245 N -5.43 0.39 0.00 2.24 4.71 -1.16 -1.80 120.64 119.58 3gux n GLU 245 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.20 3gux n GLU 245 Cb 0.34 -1.23 0.00 0.00 -1.01 0.00 0.00 31.44 29.54 3gux n GLU 245 CO 0.00 0.00 0.00 0.36 0.09 0.00 0.00 177.13 177.58 3gux n LYS 247 N 0.47 0.00 -0.05 3.49 2.85 0.15 -2.16 118.16 122.91 3gux n LYS 247 Ca 0.00 0.00 -0.11 0.00 -1.05 0.00 0.00 58.31 57.15 3gux n LYS 247 Cb 0.13 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 34.46 3gux n LYS 247 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 3gux h LYS 248 N 0.00 0.29 -0.38 -1.58 3.64 -1.57 0.17 116.57 117.14 3gux h LYS 248 Ca 0.00 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.29 3gux h LYS 248 Cb 0.00 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 3gux h LYS 248 CO 0.00 0.39 0.12 0.82 -2.27 0.00 0.00 179.45 178.51 3gux h ILE 249 N 0.14 1.21 -0.23 2.00 2.04 -1.71 -1.63 117.51 119.32 3gux h ILE 249 Ca 0.06 -0.68 -0.10 0.00 1.00 0.00 0.00 64.86 65.15 3gux h ILE 249 Cb 0.21 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 3gux h ILE 249 CO -0.00 0.24 -0.28 -0.50 0.00 0.00 0.00 178.15 177.61 3gux h TRP 250 N 0.46 0.52 -0.17 1.37 -0.00 -1.83 -2.03 115.95 114.27 3gux h TRP 250 Ca 0.12 -0.12 0.02 0.00 -0.00 0.00 0.00 58.89 58.92 3gux h TRP 250 Cb 0.24 -0.13 -0.02 0.00 -0.00 0.00 0.00 29.16 29.25 3gux h TRP 250 CO 0.01 0.70 0.02 -0.22 -0.00 0.00 0.00 178.44 178.94 3gux h LYS 251 N 0.40 0.08 -0.72 0.49 3.64 -0.77 -2.44 116.57 117.26 3gux h LYS 251 Ca 0.06 -0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.36 3gux h LYS 251 Cb 0.70 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.47 3gux h LYS 251 CO 0.05 0.05 0.18 -0.22 -2.27 0.00 0.00 179.45 177.25 3gux h LYS 252 N 0.08 1.15 -0.45 1.90 1.63 -0.96 -2.13 116.57 117.78 3gux h LYS 252 Ca 0.08 -0.27 0.03 0.00 -0.85 0.00 0.00 60.65 59.64 3gux h LYS 252 Cb 0.08 -0.15 -0.04 0.00 -0.60 0.00 0.00 32.23 31.53 3gux h LYS 252 CO -0.12 1.00 0.23 0.00 -3.45 0.00 0.00 179.45 177.12 3gux h ALA 253 N 1.09 0.57 -0.27 5.00 0.00 -1.22 -0.94 119.26 123.49 3gux h ALA 253 Ca 0.23 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 3gux h ALA 253 Cb 0.37 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3gux h ALA 253 CO 0.00 -0.11 0.10 0.45 0.00 0.00 0.00 179.25 179.69 3gux h HIS 254 N 0.46 0.43 0.00 0.00 3.86 -1.16 0.19 115.15 118.93 3gux h HIS 254 Ca 0.19 -0.04 -0.03 0.00 -1.16 0.00 0.00 60.37 59.34 3gux h HIS 254 Cb 0.09 -0.13 -0.00 0.00 1.06 0.00 0.00 27.41 28.43 3gux h HIS 254 CO -0.10 0.44 -0.14 1.05 0.86 0.00 0.00 177.93 180.04 3gux h GLU 255 N 0.29 0.00 -0.00 2.45 4.11 -1.08 -1.40 114.58 118.95 3gux h GLU 255 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.52 3gux h GLU 255 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3gux h GLU 255 CO -0.01 0.14 -0.16 1.28 0.07 0.00 0.00 179.01 180.33 3gux n LEU 256 N -3.59 0.17 0.00 3.06 4.77 -0.38 -4.94 117.00 116.09 3gux n LEU 256 Ca -0.01 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 3gux n LEU 256 Cb 0.27 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 3gux n LEU 256 CO 0.31 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 3gux n GLY 257 N 1.49 0.91 1.98 -0.72 0.00 -0.53 -4.99 105.19 103.33 3gux n GLY 257 Ca 0.07 -0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.05 3gux n GLY 257 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3gux n TYR 258 N -2.18 2.38 0.21 1.61 4.01 0.61 -4.67 117.16 119.14 3gux n TYR 258 Ca 0.00 -1.10 0.14 0.00 -0.16 0.00 0.00 57.90 56.78 3gux n TYR 258 Cb 0.00 -0.66 0.76 0.00 -0.31 0.00 0.00 39.34 39.14 3gux n TYR 258 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3gux h GLY 259 N 3.01 0.00 0.70 2.72 0.00 -1.80 -1.44 103.07 106.27 3gux h GLY 259 Ca 0.22 0.00 0.13 0.00 0.00 0.00 0.00 47.33 47.68 3gux h GLY 259 CO 0.69 0.00 0.52 0.07 0.00 0.00 0.00 176.54 177.82 3gux h LYS 260 N 0.00 0.56 0.09 4.80 2.10 -1.94 -2.96 116.57 119.22 3gux h LYS 260 Ca 0.06 -0.03 -0.33 0.00 -2.00 0.00 0.00 60.65 58.35 3gux h LYS 260 Cb 0.30 -0.13 -0.02 0.00 -0.90 0.00 0.00 32.23 31.48 3gux h LYS 260 CO -0.00 0.37 -1.78 1.88 -2.00 0.00 0.00 179.45 177.92 3gux h TYR 261 N 0.58 0.36 -3.65 0.07 0.05 -1.49 -3.43 116.97 109.46 3gux h TYR 261 Ca 0.38 -0.26 -0.75 0.00 0.05 0.00 0.00 58.73 58.15 3gux h TYR 261 Cb 0.69 -0.01 -0.30 0.00 1.01 0.00 0.00 36.73 38.11 3gux h TYR 261 CO -0.00 1.46 -0.04 -0.06 -1.05 0.00 0.00 178.16 178.47 3gux s PHE 262 N -2.59 3.71 -0.27 4.88 0.40 -1.09 0.06 117.98 123.09 3gux s PHE 262 Ca -0.14 -2.44 -0.29 0.00 -0.60 0.00 0.00 56.93 53.46 3gux s PHE 262 Cb 0.07 -3.54 0.01 0.00 0.51 0.00 0.00 43.02 40.07 3gux s PHE 262 CO 0.81 -0.90 1.13 0.08 0.70 0.00 0.00 175.22 177.04 3gux s VAL 263 N -0.27 4.46 -1.46 -0.44 1.01 -0.55 -4.77 120.40 118.38 3gux s VAL 263 Ca 0.20 1.72 -0.12 0.00 0.00 0.00 0.00 61.98 63.78 3gux s VAL 263 Cb -0.13 -4.29 0.04 0.00 0.00 0.00 0.00 36.38 31.99 3gux s VAL 263 CO -0.07 -0.35 2.33 0.29 0.00 0.00 0.00 175.10 177.30 3gux n LYS 264 N 6.76 3.20 -3.85 2.72 5.02 -1.26 -3.58 118.16 127.17 3gux n LYS 264 Ca 0.13 -2.69 -0.12 0.00 -2.02 0.00 0.00 58.31 53.61 3gux n LYS 264 Cb 0.46 -3.11 -0.10 0.00 -0.02 0.00 0.00 35.03 32.26 3gux n LYS 264 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3gux s GLU 265 N 2.42 0.49 0.05 1.97 2.02 -1.26 -4.98 118.70 119.42 3gux s GLU 265 Ca 0.51 -0.30 -0.31 0.00 0.02 0.00 0.00 54.97 54.89 3gux s GLU 265 Cb 0.14 0.21 -0.08 0.00 0.10 0.00 0.00 34.13 34.51 3gux s GLU 265 CO -0.07 -0.12 1.57 -0.51 0.02 0.00 0.00 175.26 176.15 3gux s ASP 266 N -1.22 6.68 0.00 -0.19 1.01 -1.26 -0.29 116.67 121.39 3gux s ASP 266 Ca -0.13 2.38 0.00 0.00 0.71 0.00 0.00 52.55 55.51 3gux s ASP 266 Cb -0.07 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.30 3gux s ASP 266 CO 0.02 -0.83 0.00 0.61 0.21 0.00 0.00 175.17 175.18 3gux n GLY 267 N 3.87 1.35 3.99 0.21 0.00 0.11 -4.82 105.19 109.89 3gux n GLY 267 Ca 0.15 -0.75 -0.20 0.00 0.00 0.00 0.00 46.02 45.22 3gux n GLY 267 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gux s GLY 268 N 0.00 1.79 -0.18 -0.02 0.00 -1.26 -4.70 107.32 102.95 3gux s GLY 268 Ca 0.00 -1.43 -0.06 0.00 0.00 0.00 0.00 44.72 43.23 3gux s GLY 268 CO 0.00 -1.24 0.02 1.85 0.00 0.00 0.00 173.10 173.73 3gux s GLU 269 N -4.48 3.81 -0.01 2.90 2.12 -1.26 -0.79 118.70 120.99 3gux s GLU 269 Ca 0.53 -0.43 0.05 0.00 0.36 0.00 0.00 54.97 55.47 3gux s GLU 269 Cb -0.10 -3.10 -0.01 0.00 0.26 0.00 0.00 34.13 31.18 3gux s GLU 269 CO 0.35 0.21 -0.15 -0.08 -0.54 0.00 0.00 175.26 175.05 3gux s THR 270 N 0.50 1.19 -0.09 -1.70 -1.32 -1.26 -4.93 115.64 108.03 3gux s THR 270 Ca 0.00 -0.67 -0.30 0.00 -1.21 0.00 0.00 61.69 59.52 3gux s THR 270 Cb -0.13 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.83 3gux s THR 270 CO 0.02 0.32 1.27 0.54 -2.21 0.00 0.00 174.62 174.55 3gux s VAL 271 N -0.38 4.17 0.33 5.08 0.11 -1.26 -4.84 120.40 123.61 3gux s VAL 271 Ca 0.06 1.47 -0.18 0.00 -2.93 0.00 0.00 61.98 60.40 3gux s VAL 271 Cb -0.06 -3.95 0.03 0.00 -1.53 0.00 0.00 36.38 30.88 3gux s VAL 271 CO -0.00 -0.06 0.73 -0.62 -3.33 0.00 0.00 175.10 171.82 3gux s ASP 272 N 1.79 -0.10 0.51 3.54 -1.08 -1.26 -5.05 116.67 115.02 3gux s ASP 272 Ca 0.57 -0.89 0.18 0.00 -0.52 0.00 0.00 52.55 51.89 3gux s ASP 272 Cb -0.25 0.78 1.26 0.00 -1.46 0.00 0.00 42.92 43.25 3gux s ASP 272 CO 0.20 -1.49 2.08 0.44 0.52 0.00 0.00 175.17 176.92 3gux h ASP 273 N 2.01 0.07 0.08 -0.34 3.32 -1.95 -1.97 116.42 117.63 3gux h ASP 273 Ca -0.25 -0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.78 3gux h ASP 273 Cb 1.25 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.78 3gux h ASP 273 CO 0.32 0.04 -0.07 1.12 -1.72 0.00 0.00 179.24 178.93 3gux h HIS 274 N 0.07 0.00 -0.40 4.55 2.07 -1.95 -1.64 115.15 117.85 3gux h HIS 274 Ca 0.11 0.00 0.01 0.00 -2.85 0.00 0.00 60.37 57.64 3gux h HIS 274 Cb 0.36 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.32 3gux h HIS 274 CO -0.00 0.07 0.25 0.82 -3.07 0.00 0.00 177.93 176.01 3gux h ILE 275 N 0.00 1.07 0.11 6.12 2.04 -1.69 -2.20 117.51 122.97 3gux h ILE 275 Ca -0.00 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.68 3gux h ILE 275 Cb 0.13 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 36.73 3gux h ILE 275 CO 0.01 0.09 -0.05 1.88 0.00 0.00 0.00 178.15 180.08 3gux h TYR 276 N 0.51 -0.14 -0.86 1.37 0.05 -1.51 -2.91 116.97 113.49 3gux h TYR 276 Ca 0.15 -0.00 0.14 0.00 0.05 0.00 0.00 58.73 59.07 3gux h TYR 276 Cb -0.03 0.04 -0.15 0.00 1.01 0.00 0.00 36.73 37.61 3gux h TYR 276 CO -0.06 0.37 -0.30 0.28 -1.05 0.00 0.00 178.16 177.40 3gux n VAL 277 N -4.87 -0.42 0.26 -2.88 0.31 -0.69 0.15 118.33 110.19 3gux n VAL 277 Ca -0.08 1.99 0.11 0.00 -0.01 0.00 0.00 64.34 66.35 3gux n VAL 277 Cb 0.28 -2.67 0.72 0.00 -0.91 0.00 0.00 33.84 31.26 3gux n VAL 277 CO 0.00 0.00 0.00 -1.13 -1.32 0.00 0.00 176.83 174.38 3gux h ASN 278 N 0.00 0.00 0.00 4.52 -0.00 -1.38 -2.17 115.58 116.55 3gux h ASN 278 Ca 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.63 3gux h ASN 278 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.87 3gux h ASN 278 CO -0.86 0.09 -0.87 0.29 -0.00 0.00 0.00 177.43 176.08 3gux n LYS 279 N -3.97 0.48 0.17 6.67 5.02 0.40 -2.65 118.16 124.28 3gux n LYS 279 Ca -0.02 0.24 0.01 0.00 -2.02 0.00 0.00 58.31 56.51 3gux n LYS 279 Cb 0.18 -1.40 0.28 0.00 -0.02 0.00 0.00 35.03 34.07 3gux n LYS 279 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3gux h LEU 280 N -0.93 0.00 -0.09 -0.35 3.38 -1.08 -3.28 115.31 112.96 3gux h LEU 280 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3gux h LEU 280 Cb 0.87 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.62 3gux h LEU 280 CO 0.00 0.47 -0.57 0.00 0.09 0.00 0.00 178.44 178.43 3gux n ALA 281 N -2.45 3.61 -4.16 1.53 0.00 -0.97 -4.35 120.51 113.72 3gux n ALA 281 Ca -0.02 -0.38 -0.39 0.00 0.00 0.00 0.00 53.44 52.66 3gux n ALA 281 Cb 0.49 -0.47 -0.03 0.00 0.00 0.00 0.00 19.45 19.44 3gux n ALA 281 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3gux n ARG 282 N -1.18 -0.73 -4.08 0.00 0.00 -0.86 -4.91 116.66 104.90 3gux n ARG 282 Ca 0.03 0.11 -0.33 0.00 -0.00 0.00 0.00 57.85 57.66 3gux n ARG 282 Cb 0.21 -3.12 -0.16 0.00 -0.00 0.00 0.00 32.46 29.39 3gux n ARG 282 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 3gux s ILE 283 N -3.91 2.26 0.31 8.89 1.01 -1.22 -4.98 121.20 123.57 3gux s ILE 283 Ca 0.26 -0.94 -0.29 0.00 0.00 0.00 0.00 60.65 59.68 3gux s ILE 283 Cb -0.14 -1.99 -0.12 0.00 0.01 0.00 0.00 42.46 40.21 3gux s ILE 283 CO 0.98 0.47 1.42 -0.81 0.00 0.00 0.00 174.94 177.00 3gux n PRO 284 N 4.63 2.33 -3.81 2.79 -0.04 -1.26 -3.30 135.00 136.34 3gux n PRO 284 Ca -0.20 0.82 -0.17 0.00 -0.04 0.00 0.00 63.50 63.91 3gux n PRO 284 Cb 0.49 -2.49 -0.17 0.00 -0.04 0.00 0.00 33.50 31.30 3gux n PRO 284 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3gux s VAL 286 N 1.34 5.28 -0.29 0.00 1.01 -0.15 -4.62 120.40 122.97 3gux s VAL 286 Ca -0.06 0.49 -0.18 0.00 0.00 0.00 0.00 61.98 62.23 3gux s VAL 286 Cb -0.13 -3.63 -0.02 0.00 0.00 0.00 0.00 36.38 32.60 3gux s VAL 286 CO -0.03 0.31 0.51 -0.62 0.00 0.00 0.00 175.10 175.28 3gux s ASP 287 N 0.91 6.39 -0.49 3.32 2.15 -1.26 -0.07 116.67 127.62 3gux s ASP 287 Ca 0.14 0.36 -0.16 0.00 0.43 0.00 0.00 52.55 53.32 3gux s ASP 287 Cb -0.14 -2.28 0.08 0.00 -0.30 0.00 0.00 42.92 40.29 3gux s ASP 287 CO 0.06 -0.35 0.46 -0.63 -0.17 0.00 0.00 175.17 174.54 3gux s ILE 288 N 2.35 5.17 -0.03 4.11 1.01 0.45 -4.59 121.20 129.65 3gux s ILE 288 Ca 0.20 -1.06 -0.01 0.00 0.00 0.00 0.00 60.65 59.78 3gux s ILE 288 Cb -0.15 -4.20 0.03 0.00 0.01 0.00 0.00 42.46 38.14 3gux s ILE 288 CO 0.11 -0.68 0.07 -0.51 0.00 0.00 0.00 174.94 173.92 3gux s ILE 289 N 1.81 -0.04 0.24 2.92 2.07 -1.26 -1.58 121.20 125.36 3gux s ILE 289 Ca 0.06 0.16 -0.31 0.00 -1.41 0.00 0.00 60.65 59.15 3gux s ILE 289 Cb -0.25 -0.13 -0.11 0.00 0.13 0.00 0.00 42.46 42.11 3gux s ILE 289 CO 0.07 0.07 1.59 0.21 -1.91 0.00 0.00 174.94 174.96 3gux s ASN 290 N 0.90 6.47 -0.10 4.50 2.47 -1.23 -4.27 114.94 123.67 3gux s ASN 290 Ca -0.07 2.81 0.00 0.00 0.42 0.00 0.00 52.86 56.02 3gux s ASN 290 Cb -0.10 -2.62 0.02 0.00 -1.45 0.00 0.00 41.25 37.10 3gux s ASN 290 CO -0.03 -0.87 -0.10 -0.47 -3.72 0.00 0.00 177.10 171.91 3gux s TYR 291 N 0.49 1.57 0.47 0.43 5.04 -0.50 -5.00 117.35 119.85 3gux s TYR 291 Ca 0.66 -0.74 -0.21 0.00 -2.44 0.00 0.00 57.07 54.34 3gux s TYR 291 Cb -0.46 -1.24 -0.08 0.00 0.35 0.00 0.00 41.96 40.53 3gux s TYR 291 CO 0.40 -0.47 1.07 0.16 -1.34 0.00 0.00 175.55 175.38 3gux s ASP 292 N 1.37 6.29 0.11 4.32 3.84 -1.26 -4.47 116.67 126.86 3gux s ASP 292 Ca -0.01 2.05 0.00 0.00 -0.00 0.00 0.00 52.55 54.59 3gux s ASP 292 Cb -0.14 -2.57 0.00 0.00 -1.38 0.00 0.00 42.92 38.83 3gux s ASP 292 CO -0.05 -0.82 0.00 -3.20 -0.00 0.00 0.00 175.17 171.10 3gux n ASN 313 N -0.78 -0.92 -4.70 2.11 4.05 -1.26 -5.11 115.26 108.66 3gux n ASN 313 Ca 0.09 0.21 -0.42 0.00 0.45 0.00 0.00 54.58 54.91 3gux n ASN 313 Cb 0.51 1.18 -0.03 0.00 1.23 0.00 0.00 39.78 42.67 3gux n ASN 313 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 3gux s ILE 314 N -2.00 2.92 -0.08 -1.44 -1.09 -1.26 -1.38 121.20 116.87 3gux s ILE 314 Ca 0.00 0.47 0.02 0.00 -2.23 0.00 0.00 60.65 58.91 3gux s ILE 314 Cb 0.00 -3.30 0.02 0.00 -1.58 0.00 0.00 42.46 37.59 3gux s ILE 314 CO 0.00 0.01 -0.12 -0.62 -1.23 0.00 0.00 174.94 172.98 3gux s ASP 315 N 2.04 1.91 0.34 3.58 -1.08 0.15 -4.86 116.67 118.75 3gux s ASP 315 Ca 0.73 -0.31 0.03 0.00 -0.52 0.00 0.00 52.55 52.48 3gux s ASP 315 Cb -0.41 -0.86 0.62 0.00 -1.46 0.00 0.00 42.92 40.81 3gux s ASP 315 CO 0.32 0.01 1.92 0.03 0.52 0.00 0.00 175.17 177.97 3gux h ARG 316 N 7.20 0.64 -0.71 4.34 3.08 -1.91 -2.27 114.38 124.75 3gux h ARG 316 Ca -0.31 -0.10 -0.03 0.00 0.07 0.00 0.00 59.98 59.62 3gux h ARG 316 Cb 1.18 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 31.08 3gux h ARG 316 CO 0.47 0.55 0.33 -0.91 -1.07 0.00 0.00 179.97 179.34 3gux h ASN 317 N 0.63 0.91 -0.22 7.04 2.35 -1.96 -1.13 115.58 123.20 3gux h ASN 317 Ca 0.15 -0.10 -0.06 0.00 -0.55 0.00 0.00 56.30 55.73 3gux h ASN 317 Cb 0.17 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 3gux h ASN 317 CO -0.01 0.78 -0.11 0.74 -1.65 0.00 0.00 177.43 177.18 3gux h THR 318 N 1.00 1.31 -0.80 2.81 2.02 -1.75 -1.44 112.91 116.06 3gux h THR 318 Ca 0.24 -1.18 0.05 0.00 0.77 0.00 0.00 66.41 66.29 3gux h THR 318 Cb 0.11 1.61 -0.05 0.00 -1.74 0.00 0.00 68.15 68.08 3gux h THR 318 CO -0.03 0.36 0.50 -0.07 0.37 0.00 0.00 175.52 176.65 3gux h LEU 319 N 0.17 0.80 -0.43 2.58 3.38 -1.25 -1.92 115.31 118.64 3gux h LEU 319 Ca 0.05 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 3gux h LEU 319 Cb 0.61 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 3gux h LEU 319 CO 0.03 0.53 0.09 0.50 0.09 0.00 0.00 178.44 179.68 3gux h LYS 320 N 0.94 0.70 -0.65 1.13 1.63 -1.07 0.17 116.57 119.41 3gux h LYS 320 Ca 0.34 -0.18 -0.01 0.00 -0.85 0.00 0.00 60.65 59.95 3gux h LYS 320 Cb 0.10 -0.09 -0.03 0.00 -0.60 0.00 0.00 32.23 31.61 3gux h LYS 320 CO -0.15 0.72 0.38 0.00 -3.45 0.00 0.00 179.45 176.95 3gux h ALA 321 N 0.95 0.83 0.04 5.00 0.00 -0.86 0.61 119.26 125.83 3gux h ALA 321 Ca 0.13 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3gux h ALA 321 Cb 0.35 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3gux h ALA 321 CO 0.00 0.33 -0.02 0.28 0.00 0.00 0.00 179.25 179.84 3gux h VAL 322 N 0.89 1.34 -0.32 0.00 2.07 -1.15 -2.86 116.25 116.21 3gux h VAL 322 Ca 0.23 -1.33 -0.01 0.00 0.82 0.00 0.00 66.70 66.41 3gux h VAL 322 Cb 0.00 2.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.97 3gux h VAL 322 CO -0.04 0.33 0.16 1.23 0.02 0.00 0.00 177.57 179.27 3gux h GLY 323 N -0.65 0.50 1.23 2.17 0.00 -0.64 -1.53 103.07 104.15 3gux h GLY 323 Ca -0.01 -0.25 -0.10 0.00 0.00 0.00 0.00 47.33 46.98 3gux h GLY 323 CO 0.01 0.23 -0.08 -1.61 0.00 0.00 0.00 176.54 175.09 3gux h GLN 324 N 0.39 0.91 -0.37 4.80 5.75 -0.99 -2.87 115.11 122.74 3gux h GLN 324 Ca 0.11 -0.31 -0.01 0.00 -0.15 0.00 0.00 58.65 58.29 3gux h GLN 324 Cb 0.12 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 28.57 3gux h GLN 324 CO -0.01 0.95 0.18 1.15 -2.65 0.00 0.00 178.83 178.45 3gux h THR 325 N 0.82 1.17 0.00 2.39 2.02 -1.35 0.09 112.91 118.05 3gux h THR 325 Ca 0.14 -0.48 0.00 0.00 0.77 0.00 0.00 66.41 66.84 3gux h THR 325 Cb 0.60 0.81 0.00 0.00 -1.74 0.00 0.00 68.15 67.82 3gux h THR 325 CO 0.04 0.18 0.00 0.52 0.37 0.00 0.00 175.52 176.63 3gux n VAL 326 N -4.72 0.03 0.00 3.16 0.31 -0.59 -1.05 118.33 115.47 3gux n VAL 326 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 3gux n VAL 326 Cb 0.11 -0.27 0.00 0.00 -0.91 0.00 0.00 33.84 32.77 3gux n VAL 326 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 3gux n ASP 328 N 0.70 0.00 0.14 4.52 8.00 0.02 -0.96 116.55 128.98 3gux n ASP 328 Ca 0.00 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.37 3gux n ASP 328 Cb 0.02 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.04 3gux n ASP 328 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3gux h VAL 329 N 0.00 0.75 -0.14 2.53 2.07 -1.33 -3.10 116.25 117.03 3gux h VAL 329 Ca 0.00 -0.63 -0.14 0.00 0.82 0.00 0.00 66.70 66.75 3gux h VAL 329 Cb 0.00 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 3gux h VAL 329 CO 0.00 0.13 -0.51 0.16 0.02 0.00 0.00 177.57 177.37 3gux h ILE 330 N -0.72 1.33 0.00 4.57 3.07 -1.29 -2.56 117.51 121.91 3gux h ILE 330 Ca -0.04 -1.75 0.00 0.00 1.55 0.00 0.00 64.86 64.63 3gux h ILE 330 Cb 0.49 1.78 0.00 0.00 -0.27 0.00 0.00 36.82 38.82 3gux h ILE 330 CO 0.06 0.53 0.00 1.88 -1.05 0.00 0.00 178.15 179.57 3gux h TYR 331 N 0.31 0.00 -0.45 0.16 -1.99 -1.80 -2.75 116.97 110.46 3gux h TYR 331 Ca 0.01 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.74 3gux h TYR 331 Cb 1.00 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.73 3gux h TYR 331 CO 0.03 0.00 0.00 0.09 -0.00 0.00 0.00 178.16 178.28 3gux n ASN 332 N -2.93 2.61 -4.71 3.88 3.02 -0.97 -4.73 115.26 111.43 3gux n ASN 332 Ca 0.01 -1.96 -0.42 0.00 -0.03 0.00 0.00 54.58 52.18 3gux n ASN 332 Cb 0.27 -0.30 -0.03 0.00 -0.61 0.00 0.00 39.78 39.11 3gux n ASN 332 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3gux s GLU 333 N -1.41 4.57 0.00 3.52 0.41 -1.04 -5.03 118.70 119.72 3gux s GLU 333 Ca 0.34 1.36 0.00 0.00 -0.41 0.00 0.00 54.97 56.26 3gux s GLU 333 Cb 0.18 -3.44 0.00 0.00 -1.78 0.00 0.00 34.13 29.09 3gux s GLU 333 CO 0.24 0.01 0.29 1.63 -0.49 0.00 0.00 175.26 176.93