#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dxu s GLN 12 N 0.00 4.09 -1.30 0.00 -1.52 -1.26 -4.35 119.66 115.31 3dxu s GLN 12 Ca 0.00 0.68 -0.06 0.00 -1.95 0.00 0.00 55.36 54.02 3dxu s GLN 12 Cb 0.00 -2.77 -0.00 0.00 -0.22 0.00 0.00 33.01 30.02 3dxu s GLN 12 CO 0.00 0.35 0.60 -1.71 -0.25 0.00 0.00 175.29 174.28 3dxu n ASN 13 N 0.41 -2.08 0.00 5.90 5.15 -1.26 -4.64 115.26 118.75 3dxu n ASN 13 Ca -0.01 -0.96 0.03 0.00 -0.60 0.00 0.00 54.58 53.04 3dxu n ASN 13 Cb 0.52 -3.41 0.16 0.00 -0.53 0.00 0.00 39.78 36.52 3dxu n ASN 13 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 3dxu n PRO 14 N -4.29 0.05 -0.00 1.20 -0.04 -1.26 -0.90 135.00 129.76 3dxu n PRO 14 Ca -0.24 0.29 0.09 0.00 -0.04 0.00 0.00 63.50 63.61 3dxu n PRO 14 Cb 0.66 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.50 3dxu n PRO 14 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 3dxu n ASN 15 N -1.38 0.85 -3.40 3.54 5.15 -1.26 -4.99 115.26 113.76 3dxu n ASN 15 Ca 0.03 -0.83 -0.25 0.00 -0.60 0.00 0.00 54.58 52.93 3dxu n ASN 15 Cb 0.07 1.12 0.01 0.00 -0.53 0.00 0.00 39.78 40.45 3dxu n ASN 15 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3dxu s ASN 17 N -2.85 6.52 -0.08 0.00 -0.87 -1.26 -4.01 114.94 112.39 3dxu s ASN 17 Ca 0.44 1.68 -0.30 0.00 -1.57 0.00 0.00 52.86 53.11 3dxu s ASN 17 Cb -0.22 -2.53 -0.03 0.00 -0.02 0.00 0.00 41.25 38.46 3dxu s ASN 17 CO 0.54 -0.65 1.18 -0.63 -2.57 0.00 0.00 177.10 174.97 3dxu s ILE 18 N -2.41 4.32 -0.06 0.60 1.01 -1.26 -4.41 121.20 118.98 3dxu s ILE 18 Ca 0.61 1.63 -0.04 0.00 0.00 0.00 0.00 60.65 62.86 3dxu s ILE 18 Cb -0.11 -4.05 -0.04 0.00 0.01 0.00 0.00 42.46 38.26 3dxu s ILE 18 CO 0.27 -0.02 0.15 -0.04 0.00 0.00 0.00 174.94 175.29 3dxu s MET 19 N 2.40 3.39 -0.13 2.79 -1.94 -1.26 -4.98 119.30 119.56 3dxu s MET 19 Ca 0.55 -0.26 -0.01 0.00 -1.71 0.00 0.00 55.69 54.26 3dxu s MET 19 Cb -0.23 -3.10 -0.02 0.00 2.01 0.00 0.00 34.83 33.49 3dxu s MET 19 CO 0.20 0.72 -0.12 0.42 -0.01 0.00 0.00 175.02 176.23 3dxu s ILE 20 N -1.16 3.15 -0.03 2.53 1.01 -1.26 -1.60 121.20 123.82 3dxu s ILE 20 Ca 0.21 -0.63 0.02 0.00 0.00 0.00 0.00 60.65 60.25 3dxu s ILE 20 Cb -0.12 -2.33 -0.03 0.00 0.01 0.00 0.00 42.46 39.99 3dxu s ILE 20 CO 0.11 0.52 -0.07 -0.36 0.00 0.00 0.00 174.94 175.14 3dxu s PHE 21 N 0.34 2.90 -0.59 3.97 0.40 0.12 -4.98 117.98 120.15 3dxu s PHE 21 Ca -0.10 -0.02 0.06 0.00 -0.60 0.00 0.00 56.93 56.28 3dxu s PHE 21 Cb -0.16 -1.66 0.25 0.00 0.51 0.00 0.00 43.02 41.97 3dxu s PHE 21 CO 0.05 0.34 0.71 0.72 0.70 0.00 0.00 175.22 177.75 3dxu n HIS 22 N 1.93 2.88 -1.79 0.36 8.25 -1.26 -0.61 115.22 124.98 3dxu n HIS 22 Ca -0.17 -4.04 -0.41 0.00 -0.26 0.00 0.00 57.72 52.84 3dxu n HIS 22 Cb 0.53 -0.52 -0.00 0.00 1.12 0.00 0.00 29.99 31.12 3dxu n HIS 22 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 3dxu s PRO 23 N -2.26 4.10 0.95 -0.41 0.04 -1.25 -4.98 135.00 131.18 3dxu s PRO 23 Ca 0.39 2.59 -0.11 0.00 0.04 0.00 0.00 61.00 63.91 3dxu s PRO 23 Cb 0.16 -2.96 0.16 0.00 0.04 0.00 0.00 34.50 31.90 3dxu s PRO 23 CO -0.03 -0.55 1.10 0.95 0.04 0.00 0.00 177.00 178.50 3dxu s THR 24 N -1.12 2.37 0.23 1.26 -4.23 -1.26 -3.87 115.64 109.02 3dxu s THR 24 Ca 0.53 0.12 -0.13 0.00 -1.18 0.00 0.00 61.69 61.03 3dxu s THR 24 Cb -0.47 -2.34 0.28 0.00 1.34 0.00 0.00 72.50 71.32 3dxu s THR 24 CO 0.64 -0.16 1.60 0.50 -0.54 0.00 0.00 174.62 176.66 3dxu h LYS 25 N -1.88 -0.02 -0.29 3.99 1.63 -1.96 -0.66 116.57 117.37 3dxu h LYS 25 Ca -0.49 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.29 3dxu h LYS 25 Cb 1.28 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.90 3dxu h LYS 25 CO 0.48 -0.01 0.13 0.93 -3.45 0.00 0.00 179.45 177.53 3dxu h GLU 26 N -0.02 0.43 0.00 1.90 3.07 -2.02 -2.63 114.58 115.31 3dxu h GLU 26 Ca 0.34 -0.07 -0.02 0.00 -0.50 0.00 0.00 59.36 59.11 3dxu h GLU 26 Cb 0.55 -0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 28.38 3dxu h GLU 26 CO -0.76 0.43 -0.12 0.93 -1.40 0.00 0.00 179.01 178.09 3dxu h GLU 27 N 0.33 0.00 0.00 2.33 5.08 -1.83 -2.67 114.58 117.83 3dxu h GLU 27 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3dxu h GLU 27 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 3dxu h GLU 27 CO -0.01 0.12 0.00 0.34 -1.00 0.00 0.00 179.01 178.45 3dxu n PHE 28 N -3.37 0.00 0.49 4.33 7.35 -0.29 -4.02 117.46 121.95 3dxu n PHE 28 Ca -0.01 0.00 0.13 0.00 -0.76 0.00 0.00 57.45 56.81 3dxu n PHE 28 Cb 0.30 -0.34 0.40 0.00 0.35 0.00 0.00 39.48 40.20 3dxu n PHE 28 CO 0.00 0.00 0.00 -0.97 -0.76 0.00 0.00 176.76 175.03 3dxu h ASN 29 N 0.00 0.00 -3.06 -2.13 -1.24 -1.40 -3.42 115.58 104.34 3dxu h ASN 29 Ca 0.00 0.00 -0.57 0.00 0.71 0.00 0.00 56.30 56.44 3dxu h ASN 29 Cb 0.32 0.00 -0.40 0.00 0.73 0.00 0.00 38.32 38.97 3dxu h ASN 29 CO 0.00 0.00 -0.76 -0.62 -1.29 0.00 0.00 177.43 174.76 3dxu s ASP 30 N -4.82 3.87 0.11 1.15 3.68 -1.26 -5.02 116.67 114.39 3dxu s ASP 30 Ca 0.08 -1.52 -0.23 0.00 2.13 0.00 0.00 52.55 53.01 3dxu s ASP 30 Cb 0.10 -0.72 -0.08 0.00 -1.45 0.00 0.00 42.92 40.77 3dxu s ASP 30 CO 0.56 -0.42 1.69 0.15 0.13 0.00 0.00 175.17 177.29 3dxu h PHE 31 N 8.18 -0.26 -0.74 -5.34 3.57 -1.88 -1.52 116.94 118.95 3dxu h PHE 31 Ca -0.15 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.35 3dxu h PHE 31 Cb 1.02 0.12 -0.04 0.00 2.79 0.00 0.00 35.95 39.84 3dxu h PHE 31 CO 0.34 -0.15 0.46 -0.44 -2.23 0.00 0.00 178.31 176.28 3dxu h ASP 32 N -0.17 0.88 -0.33 0.41 3.45 -1.99 -0.86 116.42 117.81 3dxu h ASP 32 Ca 0.04 -0.05 0.04 0.00 0.43 0.00 0.00 57.03 57.49 3dxu h ASP 32 Cb 0.22 -0.22 -0.04 0.00 -0.56 0.00 0.00 39.33 38.73 3dxu h ASP 32 CO -0.11 0.67 0.12 0.50 -1.57 0.00 0.00 179.24 178.85 3dxu h LYS 33 N 1.01 0.25 -0.40 3.56 3.64 -1.92 -1.14 116.57 121.58 3dxu h LYS 33 Ca 0.27 -0.02 -0.13 0.00 -1.27 0.00 0.00 60.65 59.50 3dxu h LYS 33 Cb -0.05 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 3dxu h LYS 33 CO -0.05 0.17 -0.27 -0.92 -2.27 0.00 0.00 179.45 176.11 3dxu h TYR 34 N 0.26 0.99 -0.33 1.91 3.20 -0.76 0.93 116.97 123.17 3dxu h TYR 34 Ca 0.15 -0.25 0.04 0.00 3.14 0.00 0.00 58.73 61.81 3dxu h TYR 34 Cb 0.12 -0.23 -0.04 0.00 1.54 0.00 0.00 36.73 38.13 3dxu h TYR 34 CO -0.14 1.02 0.10 0.82 -1.64 0.00 0.00 178.16 178.33 3dxu h ILE 35 N 0.73 0.89 -0.84 1.81 1.08 -1.10 0.51 117.51 120.58 3dxu h ILE 35 Ca 0.09 -0.08 -0.03 0.00 -0.39 0.00 0.00 64.86 64.45 3dxu h ILE 35 Cb 0.82 0.63 -0.04 0.00 -3.07 0.00 0.00 36.82 35.16 3dxu h ILE 35 CO 0.07 0.04 0.41 0.00 -0.69 0.00 0.00 178.15 177.98 3dxu h ALA 36 N 1.22 1.09 0.03 1.87 0.00 -0.81 -2.15 119.26 120.50 3dxu h ALA 36 Ca 0.15 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3dxu h ALA 36 Cb 0.14 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 3dxu h ALA 36 CO -0.17 0.65 -0.02 -0.92 0.00 0.00 0.00 179.25 178.79 3dxu h TYR 37 N 1.20 -0.06 -0.70 0.00 5.03 -0.55 -0.11 116.97 121.79 3dxu h TYR 37 Ca 0.29 -0.00 0.15 0.00 2.58 0.00 0.00 58.73 61.75 3dxu h TYR 37 Cb 0.11 0.02 -0.10 0.00 1.55 0.00 0.00 36.73 38.31 3dxu h TYR 37 CO 0.01 -0.04 0.15 0.52 -1.32 0.00 0.00 178.16 177.49 3dxu h MET 38 N -0.05 0.25 -0.01 1.82 2.86 -0.69 -1.90 114.93 117.21 3dxu h MET 38 Ca -0.00 -0.01 -0.12 0.00 -2.06 0.00 0.00 59.70 57.51 3dxu h MET 38 Cb 0.05 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 3dxu h MET 38 CO -0.00 0.16 -0.56 0.93 1.06 0.00 0.00 176.91 178.50 3dxu h GLU 39 N 0.26 0.02 0.00 1.72 5.08 -1.05 -1.94 114.58 118.67 3dxu h GLU 39 Ca 0.38 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.72 3dxu h GLU 39 Cb 0.63 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.88 3dxu h GLU 39 CO -0.49 0.58 -0.06 0.66 -1.00 0.00 0.00 179.01 178.69 3dxu h SER 40 N 0.02 0.00 -0.20 1.42 4.64 -0.20 -0.69 113.55 118.53 3dxu h SER 40 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3dxu h SER 40 Cb 1.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 3dxu h SER 40 CO 0.07 0.06 0.00 0.00 -0.87 0.00 0.00 176.83 176.10 3dxu n GLN 41 N -3.83 1.79 -0.76 4.77 1.13 -0.78 -4.93 117.38 114.77 3dxu n GLN 41 Ca -0.02 -1.19 0.00 0.00 -1.94 0.00 0.00 57.00 53.85 3dxu n GLN 41 Cb 0.16 -1.39 0.00 0.00 0.11 0.00 0.00 30.24 29.12 3dxu n GLN 41 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3dxu n GLY 42 N 1.15 0.59 0.27 1.08 0.00 -0.26 -4.08 105.19 103.94 3dxu n GLY 42 Ca 0.16 -0.27 0.03 0.00 0.00 0.00 0.00 46.02 45.94 3dxu n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dxu h ALA 43 N 0.00 1.61 0.00 4.61 0.00 -1.58 -1.61 119.26 122.29 3dxu h ALA 43 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3dxu h ALA 43 Cb 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3dxu h ALA 43 CO 0.00 0.30 0.00 1.12 0.00 0.00 0.00 179.25 180.67 3dxu h HIS 44 N 0.37 0.00 -0.18 0.00 2.07 -1.85 -2.66 115.15 112.90 3dxu h HIS 44 Ca 0.09 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.57 3dxu h HIS 44 Cb 0.17 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.14 3dxu h HIS 44 CO 0.00 0.00 -0.08 0.00 -3.07 0.00 0.00 177.93 174.78 3dxu h ARG 45 N 0.00 0.28 -0.12 5.12 2.47 -1.64 -2.06 114.38 118.44 3dxu h ARG 45 Ca 0.00 -0.06 -0.11 0.00 -1.26 0.00 0.00 59.98 58.55 3dxu h ARG 45 Cb 0.17 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.43 3dxu h ARG 45 CO 0.00 0.38 -0.44 0.00 0.56 0.00 0.00 179.97 180.47 3dxu h ALA 46 N 1.65 1.04 0.00 0.04 0.00 -1.60 -3.36 119.26 117.03 3dxu h ALA 46 Ca 0.06 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3dxu h ALA 46 Cb 0.32 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3dxu h ALA 46 CO 0.02 0.61 0.00 0.41 0.00 0.00 0.00 179.25 180.29 3dxu n GLY 47 N -0.11 0.65 3.38 0.00 0.00 -0.77 -3.56 105.19 104.78 3dxu n GLY 47 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 3dxu n GLY 47 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3dxu s LEU 48 N 0.00 0.02 0.10 0.99 2.96 -1.26 -1.53 118.68 119.96 3dxu s LEU 48 Ca 0.00 1.00 0.06 0.00 -0.22 0.00 0.00 54.13 54.97 3dxu s LEU 48 Cb 0.00 1.67 -0.03 0.00 0.50 0.00 0.00 46.19 48.32 3dxu s LEU 48 CO 0.00 -0.18 -0.15 0.00 -1.32 0.00 0.00 176.35 174.71 3dxu s ALA 49 N 0.56 1.41 -0.11 5.97 0.00 -0.54 -4.30 121.76 124.74 3dxu s ALA 49 Ca -0.02 -1.19 -0.03 0.00 0.00 0.00 0.00 51.96 50.72 3dxu s ALA 49 Cb -0.04 -0.10 -0.03 0.00 0.00 0.00 0.00 23.12 22.95 3dxu s ALA 49 CO -0.03 0.14 -0.00 0.21 0.00 0.00 0.00 175.76 176.08 3dxu s LYS 50 N -2.30 3.28 -0.16 0.00 2.20 -0.63 -1.29 119.74 120.84 3dxu s LYS 50 Ca 0.05 -0.43 0.01 0.00 -0.36 0.00 0.00 55.97 55.24 3dxu s LYS 50 Cb -0.07 -2.87 0.02 0.00 -1.51 0.00 0.00 37.83 33.40 3dxu s LYS 50 CO 0.03 0.53 -0.19 0.42 -0.36 0.00 0.00 175.35 175.77 3dxu s ILE 51 N -0.41 1.95 -0.32 5.43 1.09 -0.25 0.13 121.20 128.81 3dxu s ILE 51 Ca 0.07 -0.88 -0.17 0.00 -1.10 0.00 0.00 60.65 58.57 3dxu s ILE 51 Cb -0.12 -1.75 -0.01 0.00 -1.06 0.00 0.00 42.46 39.51 3dxu s ILE 51 CO 0.02 0.52 0.45 -0.63 -0.10 0.00 0.00 174.94 175.20 3dxu s ILE 52 N 1.15 5.09 0.84 2.92 -1.09 0.22 -1.38 121.20 128.95 3dxu s ILE 52 Ca 0.00 0.35 -0.11 0.00 -2.23 0.00 0.00 60.65 58.67 3dxu s ILE 52 Cb -0.14 -3.86 0.10 0.00 -1.58 0.00 0.00 42.46 36.98 3dxu s ILE 52 CO -0.08 -0.08 1.13 -2.84 -1.23 0.00 0.00 174.94 171.83 3dxu s PRO 53 N 2.22 1.61 0.69 2.79 0.02 -1.26 -3.88 135.00 137.19 3dxu s PRO 53 Ca 0.16 1.42 -0.16 0.00 0.02 0.00 0.00 61.00 62.44 3dxu s PRO 53 Cb -0.16 -1.80 0.02 0.00 0.02 0.00 0.00 34.50 32.57 3dxu s PRO 53 CO 0.12 -2.17 1.20 -1.25 -0.33 0.00 0.00 177.00 174.57 3dxu s PRO 54 N -4.68 2.42 0.59 5.54 0.04 -1.25 -4.87 135.00 132.79 3dxu s PRO 54 Ca 0.65 1.73 0.29 0.00 0.04 0.00 0.00 61.00 63.71 3dxu s PRO 54 Cb -0.21 -1.87 1.59 0.00 0.04 0.00 0.00 34.50 34.05 3dxu s PRO 54 CO 0.56 -1.61 2.03 1.57 0.04 0.00 0.00 177.00 179.58 3dxu h LYS 55 N 0.02 0.00 -0.00 4.56 2.10 -1.92 -1.13 116.57 120.20 3dxu h LYS 55 Ca -0.48 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 3dxu h LYS 55 Cb 1.29 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.62 3dxu h LYS 55 CO 0.52 0.00 -0.13 -0.85 -2.00 0.00 0.00 179.45 176.98 3dxu n GLU 56 N -3.78 0.51 -3.34 0.07 0.00 -1.26 -4.91 120.64 107.92 3dxu n GLU 56 Ca 0.04 -0.17 -0.33 0.00 0.00 0.00 0.00 57.16 56.70 3dxu n GLU 56 Cb 0.44 -1.50 -0.06 0.00 0.00 0.00 0.00 31.44 30.33 3dxu n GLU 56 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.13 176.67 3dxu s TRP 57 N -2.60 3.46 0.02 -1.84 -0.00 -0.43 -5.08 118.94 112.47 3dxu s TRP 57 Ca 0.25 0.99 0.00 0.00 -0.00 0.00 0.00 56.10 57.35 3dxu s TRP 57 Cb 0.20 -2.34 -0.02 0.00 -0.00 0.00 0.00 33.47 31.30 3dxu s TRP 57 CO 0.51 0.28 -0.04 0.15 -0.00 0.00 0.00 176.95 177.84 3dxu s LYS 58 N -2.62 0.35 0.12 5.86 1.02 -1.26 -4.94 119.74 118.27 3dxu s LYS 58 Ca 0.46 -0.65 -0.09 0.00 0.02 0.00 0.00 55.97 55.71 3dxu s LYS 58 Cb -0.12 0.04 -0.11 0.00 -0.52 0.00 0.00 37.83 37.12 3dxu s LYS 58 CO 0.20 -0.03 1.31 0.00 -0.92 0.00 0.00 175.35 175.91 3dxu h ALA 59 N 4.60 0.35 -2.72 5.17 0.00 -1.96 -3.47 119.26 121.23 3dxu h ALA 59 Ca -0.33 -0.63 0.09 0.00 0.00 0.00 0.00 54.91 54.04 3dxu h ALA 59 Cb 1.21 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 3dxu h ALA 59 CO 0.41 0.72 0.44 -0.98 0.00 0.00 0.00 179.25 179.84 3dxu s ARG 60 N -3.58 1.68 -0.01 0.00 1.70 -1.26 -1.62 118.95 115.86 3dxu s ARG 60 Ca -0.09 -1.06 -0.21 0.00 -0.47 0.00 0.00 55.73 53.91 3dxu s ARG 60 Cb 0.09 0.48 -0.11 0.00 -0.57 0.00 0.00 34.95 34.84 3dxu s ARG 60 CO 0.89 -0.79 0.89 1.49 -1.08 0.00 0.00 175.30 176.71 3dxu h GLU 61 N 2.00 -0.72 -4.52 3.89 4.57 -1.94 -3.48 114.58 114.38 3dxu h GLU 61 Ca -0.29 0.05 -0.25 0.00 -1.18 0.00 0.00 59.36 57.69 3dxu h GLU 61 Cb 1.23 0.16 -0.14 0.00 -0.16 0.00 0.00 28.75 29.85 3dxu h GLU 61 CO 0.36 -0.48 -0.54 0.95 -1.18 0.00 0.00 179.01 178.12 3dxu s THR 62 N -4.00 0.00 -0.37 0.32 -4.23 -1.26 -5.04 115.64 101.05 3dxu s THR 62 Ca -0.11 -1.93 0.06 0.00 -1.18 0.00 0.00 61.69 58.54 3dxu s THR 62 Cb 0.01 -2.47 0.57 0.00 1.34 0.00 0.00 72.50 71.95 3dxu s THR 62 CO 0.33 0.00 1.66 -1.22 -0.54 0.00 0.00 174.62 174.85 3dxu n TYR 63 N -0.33 1.99 0.39 3.99 4.02 -1.26 -4.75 117.16 121.21 3dxu n TYR 63 Ca 0.02 -1.78 0.14 0.00 -0.01 0.00 0.00 57.90 56.27 3dxu n TYR 63 Cb 0.65 -0.71 0.49 0.00 -0.02 0.00 0.00 39.34 39.76 3dxu n TYR 63 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 176.86 175.41 3dxu h ASP 64 N 1.06 0.00 0.00 7.72 3.32 -2.03 -3.32 116.42 123.17 3dxu h ASP 64 Ca 0.41 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.45 3dxu h ASP 64 Cb 2.11 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.65 3dxu h ASP 64 CO 0.73 0.00 -0.23 0.59 -1.72 0.00 0.00 179.24 178.61 3dxu n ASN 65 N -2.58 1.94 -0.50 6.45 4.13 -1.26 -4.72 115.26 118.72 3dxu n ASN 65 Ca 0.03 -3.24 0.13 0.00 1.68 0.00 0.00 54.58 53.18 3dxu n ASN 65 Cb 0.32 -0.44 0.33 0.00 -1.54 0.00 0.00 39.78 38.45 3dxu n ASN 65 CO 0.00 0.00 0.00 2.30 0.28 0.00 0.00 177.26 179.84 3dxu n ILE 66 N -1.17 0.00 0.26 2.41 -5.35 -1.25 -4.40 119.36 109.86 3dxu n ILE 66 Ca 0.16 -0.26 0.12 0.00 -0.27 0.00 0.00 62.75 62.50 3dxu n ILE 66 Cb 0.68 0.76 0.73 0.00 -1.74 0.00 0.00 39.64 40.07 3dxu n ILE 66 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 3dxu h SER 67 N 2.43 0.00 0.67 7.28 0.02 -1.88 -2.92 113.55 119.15 3dxu h SER 67 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3dxu h SER 67 Cb 0.63 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.17 3dxu h SER 67 CO 0.00 0.11 -0.44 -0.62 -1.14 0.00 0.00 176.83 174.74 3dxu n GLU 68 N -3.74 0.07 -1.63 3.45 -0.58 -1.26 -1.59 120.64 115.36 3dxu n GLU 68 Ca -0.02 0.02 -0.47 0.00 -0.42 0.00 0.00 57.16 56.27 3dxu n GLU 68 Cb 0.21 -1.55 -0.03 0.00 -0.57 0.00 0.00 31.44 29.50 3dxu n GLU 68 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 3dxu n ILE 69 N -1.65 0.82 -3.55 -3.67 5.41 -1.10 -4.79 119.36 110.84 3dxu n ILE 69 Ca 0.05 -0.21 -0.36 0.00 1.00 0.00 0.00 62.75 63.23 3dxu n ILE 69 Cb 0.36 -1.17 -0.07 0.00 -0.71 0.00 0.00 39.64 38.04 3dxu n ILE 69 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 3dxu s LEU 70 N 0.41 4.23 -0.85 1.39 0.20 -1.26 -0.28 118.68 122.52 3dxu s LEU 70 Ca 0.72 0.47 -0.16 0.00 0.69 0.00 0.00 54.13 55.85 3dxu s LEU 70 Cb -0.75 -2.35 0.19 0.00 -0.43 0.00 0.00 46.19 42.85 3dxu s LEU 70 CO 0.50 0.10 0.86 -0.63 -0.29 0.00 0.00 176.35 176.89 3dxu s ILE 71 N 0.52 5.34 0.46 6.68 1.01 0.89 -4.93 121.20 131.16 3dxu s ILE 71 Ca 0.16 -2.16 0.13 0.00 0.00 0.00 0.00 60.65 58.77 3dxu s ILE 71 Cb -0.13 -4.55 0.29 0.00 0.01 0.00 0.00 42.46 38.08 3dxu s ILE 71 CO 0.03 -1.16 2.06 0.00 0.00 0.00 0.00 174.94 175.87 3dxu h ALA 72 N 8.13 1.94 -2.19 9.38 0.00 -1.95 -1.91 119.26 132.67 3dxu h ALA 72 Ca 0.10 -0.02 -0.53 0.00 0.00 0.00 0.00 54.91 54.47 3dxu h ALA 72 Cb 1.04 -0.08 -0.35 0.00 0.00 0.00 0.00 17.79 18.40 3dxu h ALA 72 CO 0.87 0.00 -0.90 0.99 0.00 0.00 0.00 179.25 180.21 3dxu s THR 73 N -5.31 0.14 0.47 0.00 2.01 -1.26 -3.74 115.64 107.95 3dxu s THR 73 Ca -0.07 -2.36 -0.24 0.00 0.31 0.00 0.00 61.69 59.33 3dxu s THR 73 Cb 0.18 -1.07 -0.07 0.00 0.01 0.00 0.00 72.50 71.55 3dxu s THR 73 CO 0.72 -1.06 1.37 -2.84 -0.69 0.00 0.00 174.62 172.12 3dxu s PRO 74 N 0.24 3.57 -0.16 4.92 0.02 -1.26 -4.71 135.00 137.63 3dxu s PRO 74 Ca 0.32 2.28 0.02 0.00 0.02 0.00 0.00 61.00 63.64 3dxu s PRO 74 Cb 0.02 -2.53 0.01 0.00 0.02 0.00 0.00 34.50 32.02 3dxu s PRO 74 CO -0.17 -0.86 -0.21 -0.51 -0.33 0.00 0.00 177.00 174.92 3dxu s LEU 75 N -2.94 2.11 -0.19 -5.54 1.43 -0.37 -1.14 118.68 112.03 3dxu s LEU 75 Ca 0.64 -0.62 -0.23 0.00 -1.03 0.00 0.00 54.13 52.89 3dxu s LEU 75 Cb -0.41 -1.45 -0.02 0.00 0.03 0.00 0.00 46.19 44.34 3dxu s LEU 75 CO 0.51 0.04 0.72 -1.58 0.23 0.00 0.00 176.35 176.27 3dxu s GLN 76 N 1.02 4.23 -0.63 1.70 0.74 0.11 -0.24 119.66 126.59 3dxu s GLN 76 Ca -0.02 0.78 -0.18 0.00 0.05 0.00 0.00 55.36 55.99 3dxu s GLN 76 Cb -0.14 -3.59 0.12 0.00 1.10 0.00 0.00 33.01 30.50 3dxu s GLN 76 CO -0.07 -0.30 0.71 -0.65 -0.55 0.00 0.00 175.29 174.43 3dxu s GLN 77 N 2.10 3.13 -0.23 1.67 -0.21 -0.14 -1.00 119.66 124.99 3dxu s GLN 77 Ca 0.32 -1.52 -0.17 0.00 0.02 0.00 0.00 55.36 54.01 3dxu s GLN 77 Cb -0.16 -4.34 -0.03 0.00 1.00 0.00 0.00 33.01 29.48 3dxu s GLN 77 CO 0.11 -1.51 0.48 0.08 -2.12 0.00 0.00 175.29 172.33 3dxu s VAL 78 N 2.28 5.11 0.17 1.09 1.01 -0.12 -4.18 120.40 125.78 3dxu s VAL 78 Ca 0.12 0.84 -0.11 0.00 0.00 0.00 0.00 61.98 62.83 3dxu s VAL 78 Cb -0.22 -3.80 -0.07 0.00 0.00 0.00 0.00 36.38 32.29 3dxu s VAL 78 CO 0.03 0.15 0.51 0.00 0.00 0.00 0.00 175.10 175.79 3dxu s ALA 79 N 1.93 3.61 -0.02 5.51 0.00 -1.26 -0.72 121.76 130.80 3dxu s ALA 79 Ca 0.21 -0.26 0.02 0.00 0.00 0.00 0.00 51.96 51.92 3dxu s ALA 79 Cb -0.15 -2.41 0.01 0.00 0.00 0.00 0.00 23.12 20.56 3dxu s ALA 79 CO 0.09 0.51 -0.06 -1.12 0.00 0.00 0.00 175.76 175.18 3dxu s SER 80 N -2.06 0.89 0.00 0.00 0.01 0.37 -4.99 113.70 107.92 3dxu s SER 80 Ca 0.41 -0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.54 3dxu s SER 80 Cb -0.13 -0.24 0.00 0.00 0.21 0.00 0.00 66.02 65.86 3dxu s SER 80 CO 0.20 0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.50 3dxu n GLY 81 N 3.34 0.41 3.47 3.44 0.00 -1.26 -1.22 105.19 113.38 3dxu n GLY 81 Ca -0.18 -1.12 -0.23 0.00 0.00 0.00 0.00 46.02 44.49 3dxu n GLY 81 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3dxu s ARG 82 N -1.40 1.66 0.30 1.61 1.70 0.02 -4.98 118.95 117.85 3dxu s ARG 82 Ca 0.00 -1.84 0.03 0.00 -0.47 0.00 0.00 55.73 53.44 3dxu s ARG 82 Cb 0.00 -1.39 0.74 0.00 -0.57 0.00 0.00 34.95 33.74 3dxu s ARG 82 CO 0.00 0.09 1.63 0.00 -1.08 0.00 0.00 175.30 175.93 3dxu h ALA 83 N 2.18 1.28 -0.22 7.88 0.00 -1.91 -2.16 119.26 126.31 3dxu h ALA 83 Ca -0.41 0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3dxu h ALA 83 Cb 1.24 0.38 0.00 0.00 0.00 0.00 0.00 17.79 19.42 3dxu h ALA 83 CO 0.68 -0.52 0.00 0.41 0.00 0.00 0.00 179.25 179.82 3dxu n GLY 84 N -1.40 1.36 3.01 0.00 0.00 -1.26 -4.79 105.19 102.11 3dxu n GLY 84 Ca 0.22 -0.70 -0.04 0.00 0.00 0.00 0.00 46.02 45.50 3dxu n GLY 84 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dxu s VAL 85 N -1.67 -0.77 0.08 1.61 1.01 -0.81 -0.50 120.40 119.34 3dxu s VAL 85 Ca 0.33 -0.22 -0.11 0.00 0.00 0.00 0.00 61.98 61.99 3dxu s VAL 85 Cb 0.21 -0.89 0.01 0.00 0.00 0.00 0.00 36.38 35.71 3dxu s VAL 85 CO 0.30 -0.19 0.24 0.72 0.00 0.00 0.00 175.10 176.17 3dxu s PHE 86 N 2.50 0.05 0.25 5.22 -0.71 -0.91 -0.80 117.98 123.58 3dxu s PHE 86 Ca 0.11 -0.38 0.07 0.00 -1.04 0.00 0.00 56.93 55.69 3dxu s PHE 86 Cb -0.11 0.01 -0.04 0.00 -1.21 0.00 0.00 43.02 41.68 3dxu s PHE 86 CO -0.25 -0.54 0.16 0.95 -1.34 0.00 0.00 175.22 174.20 3dxu s THR 87 N -3.45 4.29 0.04 -4.49 -4.23 -0.35 -0.57 115.64 106.88 3dxu s THR 87 Ca 0.02 -1.47 0.07 0.00 -1.18 0.00 0.00 61.69 59.12 3dxu s THR 87 Cb 0.03 -3.31 -0.02 0.00 1.34 0.00 0.00 72.50 70.53 3dxu s THR 87 CO -0.09 -0.35 -0.20 0.00 -0.54 0.00 0.00 174.62 173.45 3dxu s GLN 88 N -3.79 1.34 0.23 3.99 -2.07 0.17 -0.48 119.66 119.05 3dxu s GLN 88 Ca 0.33 -0.91 0.10 0.00 -1.82 0.00 0.00 55.36 53.05 3dxu s GLN 88 Cb -0.08 -1.43 -0.04 0.00 -1.09 0.00 0.00 33.01 30.37 3dxu s GLN 88 CO 0.24 0.37 -0.08 1.52 -1.32 0.00 0.00 175.29 176.02 3dxu s TYR 89 N -0.80 2.61 -0.25 9.60 -0.85 0.10 -4.69 117.35 123.08 3dxu s TYR 89 Ca 0.07 -0.24 -0.08 0.00 -0.52 0.00 0.00 57.07 56.30 3dxu s TYR 89 Cb -0.09 -1.21 -0.03 0.00 0.38 0.00 0.00 41.96 41.01 3dxu s TYR 89 CO 0.02 0.58 0.08 -1.01 -1.52 0.00 0.00 175.55 173.70 3dxu s HIS 90 N -2.05 3.10 -0.23 -3.49 3.76 -1.26 -0.94 115.29 114.18 3dxu s HIS 90 Ca 0.28 -0.35 -0.08 0.00 -0.15 0.00 0.00 55.06 54.76 3dxu s HIS 90 Cb -0.07 -2.24 -0.04 0.00 1.11 0.00 0.00 32.58 31.34 3dxu s HIS 90 CO 0.17 -0.31 0.10 0.21 -0.85 0.00 0.00 174.74 174.06 3dxu s LYS 91 N 1.53 3.84 0.19 1.40 2.20 -0.17 -4.89 119.74 123.85 3dxu s LYS 91 Ca 0.06 -0.39 -0.30 0.00 -0.36 0.00 0.00 55.97 54.98 3dxu s LYS 91 Cb -0.15 -3.37 -0.08 0.00 -1.51 0.00 0.00 37.83 32.72 3dxu s LYS 91 CO 0.04 -0.02 1.09 0.15 -0.36 0.00 0.00 175.35 176.25 3dxu s LYS 92 N 1.21 4.61 0.39 4.03 1.02 -1.26 0.04 119.74 129.78 3dxu s LYS 92 Ca 0.05 1.72 0.08 0.00 0.02 0.00 0.00 55.97 57.84 3dxu s LYS 92 Cb -0.14 -3.27 -0.07 0.00 -0.52 0.00 0.00 37.83 33.83 3dxu s LYS 92 CO 0.04 0.11 0.02 0.15 -0.92 0.00 0.00 175.35 174.75 3dxu s LYS 93 N -0.52 1.98 0.66 1.68 -0.14 -0.29 -4.91 119.74 118.20 3dxu s LYS 93 Ca 0.48 -2.01 -0.17 0.00 -1.36 0.00 0.00 55.97 52.92 3dxu s LYS 93 Cb -0.29 -1.72 0.00 0.00 -1.68 0.00 0.00 37.83 34.13 3dxu s LYS 93 CO 0.35 -0.01 1.20 0.15 -0.76 0.00 0.00 175.35 176.28 3dxu s LYS 94 N -3.72 2.58 0.46 1.68 1.02 -1.26 -4.00 119.74 116.50 3dxu s LYS 94 Ca 0.35 1.76 -0.23 0.00 0.02 0.00 0.00 55.97 57.87 3dxu s LYS 94 Cb 0.07 -1.89 -0.09 0.00 -0.52 0.00 0.00 37.83 35.41 3dxu s LYS 94 CO 0.19 -1.50 1.13 0.00 -0.92 0.00 0.00 175.35 174.25 3dxu n ALA 95 N -2.18 0.73 -2.65 5.17 0.00 -1.25 -4.44 120.51 115.90 3dxu n ALA 95 Ca 0.13 0.20 -0.09 0.00 0.00 0.00 0.00 53.44 53.68 3dxu n ALA 95 Cb 0.50 -2.18 -0.08 0.00 0.00 0.00 0.00 19.45 17.69 3dxu n ALA 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dxu s MET 96 N -2.29 0.73 0.74 0.00 0.23 -0.72 -5.01 119.30 112.98 3dxu s MET 96 Ca 0.65 -0.83 -0.11 0.00 -1.03 0.00 0.00 55.69 54.37 3dxu s MET 96 Cb -0.50 0.29 0.04 0.00 -1.53 0.00 0.00 34.83 33.13 3dxu s MET 96 CO 0.55 -0.21 1.08 0.95 -2.03 0.00 0.00 175.02 175.36 3dxu s THR 97 N -3.21 3.50 0.28 3.16 -4.23 -1.26 -0.08 115.64 113.80 3dxu s THR 97 Ca 0.00 0.49 0.01 0.00 -1.18 0.00 0.00 61.69 61.01 3dxu s THR 97 Cb 0.02 -3.30 0.27 0.00 1.34 0.00 0.00 72.50 70.84 3dxu s THR 97 CO -0.07 -0.64 1.81 0.58 -0.54 0.00 0.00 174.62 175.76 3dxu h VAL 98 N -0.86 0.85 -0.40 2.29 2.07 -0.57 0.02 116.25 119.65 3dxu h VAL 98 Ca -0.46 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 66.76 3dxu h VAL 98 Cb 1.25 -0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 3dxu h VAL 98 CO 0.60 0.16 0.25 1.23 0.02 0.00 0.00 177.57 179.83 3dxu h GLY 99 N 0.88 0.57 1.19 2.17 0.00 -1.57 0.24 103.07 106.56 3dxu h GLY 99 Ca 0.50 -0.23 -0.07 0.00 0.00 0.00 0.00 47.33 47.53 3dxu h GLY 99 CO -0.30 0.22 0.08 0.83 0.00 0.00 0.00 176.54 177.37 3dxu h GLU 100 N 0.53 0.99 -0.53 4.80 5.08 -1.75 -2.12 114.58 121.57 3dxu h GLU 100 Ca 0.14 -0.26 -0.12 0.00 -1.00 0.00 0.00 59.36 58.13 3dxu h GLU 100 Cb -0.02 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 3dxu h GLU 100 CO -0.03 0.92 -0.13 -0.92 -1.00 0.00 0.00 179.01 177.86 3dxu h TYR 101 N 0.92 1.15 -0.27 4.33 5.03 -0.34 -0.96 116.97 126.83 3dxu h TYR 101 Ca 0.18 -0.24 -0.03 0.00 2.58 0.00 0.00 58.73 61.21 3dxu h TYR 101 Cb 0.43 -0.28 -0.01 0.00 1.55 0.00 0.00 36.73 38.42 3dxu h TYR 101 CO 0.03 1.07 0.03 -0.09 -1.32 0.00 0.00 178.16 177.88 3dxu h ARG 102 N 0.91 0.45 -0.70 1.82 2.43 -0.49 0.11 114.38 118.91 3dxu h ARG 102 Ca 0.14 -0.13 0.11 0.00 -0.81 0.00 0.00 59.98 59.29 3dxu h ARG 102 Cb 0.70 -0.05 -0.08 0.00 -0.42 0.00 0.00 29.97 30.12 3dxu h ARG 102 CO 0.05 0.58 0.31 1.25 -1.51 0.00 0.00 179.97 180.65 3dxu h HIS 103 N 0.26 0.55 -0.21 2.20 2.76 -1.24 -1.77 115.15 117.70 3dxu h HIS 103 Ca 0.08 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.25 3dxu h HIS 103 Cb 0.35 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 29.17 3dxu h HIS 103 CO 0.02 0.15 0.00 1.25 -1.30 0.00 0.00 177.93 178.06 3dxu h LEU 104 N 0.51 0.36 -0.84 0.26 6.46 -0.73 -2.62 115.31 118.72 3dxu h LEU 104 Ca 0.36 -0.31 0.19 0.00 -0.12 0.00 0.00 57.88 58.00 3dxu h LEU 104 Cb 0.44 -0.10 -0.11 0.00 -0.73 0.00 0.00 40.66 40.16 3dxu h LEU 104 CO -0.31 0.58 0.35 0.00 -0.62 0.00 0.00 178.44 178.44 3dxu h ALA 105 N 0.79 1.27 -0.01 1.25 0.00 -0.56 -2.59 119.26 119.42 3dxu h ALA 105 Ca 0.06 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3dxu h ALA 105 Cb 0.39 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3dxu h ALA 105 CO 0.01 -0.27 -0.02 0.09 0.00 0.00 0.00 179.25 179.06 3dxu n ASN 106 N -5.02 0.68 -4.88 0.00 3.02 -0.68 -2.63 115.26 105.74 3dxu n ASN 106 Ca 0.19 -1.14 -0.30 0.00 -0.03 0.00 0.00 54.58 53.30 3dxu n ASN 106 Cb 0.55 -0.01 0.05 0.00 -0.61 0.00 0.00 39.78 39.76 3dxu n ASN 106 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3dxu s SER 107 N -2.07 5.29 0.33 6.41 1.04 -0.98 -4.68 113.70 119.04 3dxu s SER 107 Ca 0.41 1.09 0.04 0.00 0.48 0.00 0.00 55.95 57.97 3dxu s SER 107 Cb 0.21 -1.84 0.64 0.00 0.10 0.00 0.00 66.02 65.13 3dxu s SER 107 CO 0.37 -1.44 1.91 0.11 0.98 0.00 0.00 173.24 175.17 3dxu h LYS 108 N -0.72 0.87 -0.09 4.02 1.57 -1.91 0.84 116.57 121.14 3dxu h LYS 108 Ca -0.45 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.18 3dxu h LYS 108 Cb 1.26 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 33.37 3dxu h LYS 108 CO 0.64 0.57 -0.37 -0.22 -0.57 0.00 0.00 179.45 179.50 3dxu h LYS 109 N 0.89 0.19 -0.00 3.15 3.64 -1.93 -3.32 116.57 119.20 3dxu h LYS 109 Ca 0.39 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.69 3dxu h LYS 109 Cb 0.33 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 3dxu h LYS 109 CO -0.15 0.54 -0.05 0.66 -2.27 0.00 0.00 179.45 178.18 3dxu n TYR 110 N -4.06 0.00 -2.12 1.91 4.02 -0.96 -5.07 117.16 110.88 3dxu n TYR 110 Ca -0.01 0.00 -0.34 0.00 -0.01 0.00 0.00 57.90 57.53 3dxu n TYR 110 Cb 0.44 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.78 3dxu n TYR 110 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 176.86 176.99 3dxu s GLN 111 N -0.69 3.20 0.12 -0.72 -2.07 0.25 -4.30 119.66 115.46 3dxu s GLN 111 Ca 0.02 1.54 -0.36 0.00 -1.82 0.00 0.00 55.36 54.74 3dxu s GLN 111 Cb 0.02 -1.99 -0.16 0.00 -1.09 0.00 0.00 33.01 29.79 3dxu s GLN 111 CO 0.06 -0.96 1.41 2.41 -1.32 0.00 0.00 175.29 176.89 3dxu n THR 112 N -1.63 0.05 -1.68 3.63 -1.04 -1.26 -4.95 114.28 107.41 3dxu n THR 112 Ca 0.11 -0.01 -0.33 0.00 -2.04 0.00 0.00 64.05 61.78 3dxu n THR 112 Cb 0.51 -1.05 0.05 0.00 -1.82 0.00 0.00 70.33 68.03 3dxu n THR 112 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 3dxu s PRO 113 N 0.56 2.71 0.33 -2.82 0.04 -1.26 -5.00 135.00 129.56 3dxu s PRO 113 Ca 0.82 1.37 -0.27 0.00 0.04 0.00 0.00 61.00 62.96 3dxu s PRO 113 Cb -0.86 -1.94 -0.13 0.00 0.04 0.00 0.00 34.50 31.61 3dxu s PRO 113 CO 0.44 -1.32 0.98 -2.30 0.04 0.00 0.00 177.00 174.84 3dxu n PRO 114 N -2.58 1.30 -3.47 0.56 -0.02 -1.26 -5.00 135.00 124.53 3dxu n PRO 114 Ca 0.10 0.46 -0.11 0.00 -2.02 0.00 0.00 63.50 61.93 3dxu n PRO 114 Cb 0.52 -1.86 -0.02 0.00 -0.02 0.00 0.00 33.50 32.11 3dxu n PRO 114 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 3dxu s HIS 115 N -1.14 -0.45 0.00 6.00 -3.43 -1.26 -5.03 115.29 109.98 3dxu s HIS 115 Ca 0.60 0.33 -0.25 0.00 -0.80 0.00 0.00 55.06 54.94 3dxu s HIS 115 Cb -0.66 0.54 -0.18 0.00 -1.43 0.00 0.00 32.58 30.84 3dxu s HIS 115 CO 0.59 -0.68 1.30 1.96 -2.00 0.00 0.00 174.74 175.92 3dxu h GLN 116 N 2.08 -0.15 0.00 -0.38 1.08 -1.94 -3.50 115.11 112.30 3dxu h GLN 116 Ca -0.28 0.01 0.05 0.00 -1.45 0.00 0.00 58.65 56.98 3dxu h GLN 116 Cb 1.26 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 28.72 3dxu h GLN 116 CO 0.35 0.21 0.23 0.27 -0.95 0.00 0.00 178.83 178.93 3dxu n ASN 117 N -4.99 -0.81 -0.34 1.46 2.04 -1.26 -5.02 115.26 106.35 3dxu n ASN 117 Ca -0.09 -1.46 -0.03 0.00 -0.44 0.00 0.00 54.58 52.57 3dxu n ASN 117 Cb 0.22 1.32 0.11 0.00 -2.53 0.00 0.00 39.78 38.91 3dxu n ASN 117 CO 0.00 0.00 0.00 -0.26 -0.44 0.00 0.00 177.26 176.56 3dxu h PHE 118 N 1.43 1.22 -0.70 -2.53 0.05 -2.00 -2.80 116.94 111.62 3dxu h PHE 118 Ca -0.12 -0.00 -0.03 0.00 3.82 0.00 0.00 57.97 61.63 3dxu h PHE 118 Cb 0.52 -0.40 -0.03 0.00 2.00 0.00 0.00 35.95 38.04 3dxu h PHE 118 CO 0.00 0.81 0.31 1.49 -0.18 0.00 0.00 178.31 180.74 3dxu h GLU 119 N 1.28 1.01 -0.71 1.51 4.81 -1.99 0.13 114.58 120.62 3dxu h GLU 119 Ca 0.33 -0.15 -0.03 0.00 -0.13 0.00 0.00 59.36 59.38 3dxu h GLU 119 Cb -0.05 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.12 3dxu h GLU 119 CO -0.06 0.80 0.32 0.22 -0.73 0.00 0.00 179.01 179.56 3dxu h ASP 120 N 1.00 0.95 -0.36 1.04 -0.00 -1.92 -1.87 116.42 115.25 3dxu h ASP 120 Ca 0.24 -0.15 -0.12 0.00 -0.00 0.00 0.00 57.03 57.00 3dxu h ASP 120 Cb 0.15 -0.24 -0.01 0.00 -0.00 0.00 0.00 39.33 39.22 3dxu h ASP 120 CO -0.03 0.83 -0.25 -0.07 -0.00 0.00 0.00 179.24 179.72 3dxu h LEU 121 N 1.00 0.85 -0.52 2.28 3.38 -1.16 -1.85 115.31 119.30 3dxu h LEU 121 Ca 0.24 -0.43 0.04 0.00 0.09 0.00 0.00 57.88 57.82 3dxu h LEU 121 Cb 0.15 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 3dxu h LEU 121 CO -0.03 1.10 0.28 -0.08 0.09 0.00 0.00 178.44 179.81 3dxu h GLU 122 N 0.60 0.54 -0.22 1.13 4.81 -0.94 0.80 114.58 121.30 3dxu h GLU 122 Ca 0.07 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 3dxu h GLU 122 Cb 0.82 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.07 3dxu h GLU 122 CO 0.07 0.36 0.13 -0.09 -0.73 0.00 0.00 179.01 178.75 3dxu h ARG 123 N 0.55 0.30 -0.59 1.92 2.43 -1.28 -2.25 114.38 115.46 3dxu h ARG 123 Ca 0.22 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.33 3dxu h ARG 123 Cb 0.09 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.55 3dxu h ARG 123 CO -0.13 0.23 0.24 0.87 -1.51 0.00 0.00 179.97 179.67 3dxu h LYS 124 N 0.27 0.85 0.39 0.20 1.57 -1.18 -1.83 116.57 116.85 3dxu h LYS 124 Ca 0.08 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 3dxu h LYS 124 Cb 0.01 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.17 3dxu h LYS 124 CO -0.02 0.70 -0.23 -0.92 -0.57 0.00 0.00 179.45 178.41 3dxu h TYR 125 N 0.84 -0.60 0.00 -1.35 3.20 -0.51 -0.33 116.97 118.22 3dxu h TYR 125 Ca 0.20 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.06 3dxu h TYR 125 Cb 0.16 0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.64 3dxu h TYR 125 CO 0.01 -0.36 0.00 -1.49 -1.64 0.00 0.00 178.16 174.68 3dxu h TRP 126 N -0.59 0.00 0.19 -3.82 4.06 -1.32 0.76 115.95 115.23 3dxu h TRP 126 Ca -0.04 0.00 -0.33 0.00 2.06 0.00 0.00 58.89 60.57 3dxu h TRP 126 Cb 0.48 0.00 0.02 0.00 -1.00 0.00 0.00 29.16 28.66 3dxu h TRP 126 CO -0.08 0.00 -1.58 -0.22 -3.56 0.00 0.00 178.44 173.00 3dxu h LYS 127 N 0.00 0.40 0.00 0.49 3.64 -1.21 -3.40 116.57 116.49 3dxu h LYS 127 Ca 0.00 -0.69 0.00 0.00 -1.27 0.00 0.00 60.65 58.69 3dxu h LYS 127 Cb 0.72 0.26 0.00 0.00 -0.41 0.00 0.00 32.23 32.79 3dxu h LYS 127 CO 0.00 1.31 -0.86 0.09 -2.27 0.00 0.00 179.45 177.72 3dxu n ASN 128 N -3.60 2.18 -0.33 4.20 3.02 -0.15 -4.77 115.26 115.82 3dxu n ASN 128 Ca -0.19 -0.27 0.17 0.00 -0.03 0.00 0.00 54.58 54.26 3dxu n ASN 128 Cb 1.08 1.16 0.37 0.00 -0.61 0.00 0.00 39.78 41.78 3dxu n ASN 128 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 3dxu h ARG 129 N 0.00 0.50 0.00 3.52 9.65 -0.98 -1.86 114.38 125.22 3dxu h ARG 129 Ca 0.00 -0.03 -0.00 0.00 -1.10 0.00 0.00 59.98 58.85 3dxu h ARG 129 Cb 0.22 -0.11 -0.00 0.00 -1.39 0.00 0.00 29.97 28.69 3dxu h ARG 129 CO 0.00 0.33 -0.01 -0.84 2.80 0.00 0.00 179.97 182.25 3dxu h ILE 130 N 0.52 0.02 -0.00 1.20 3.07 -1.86 -2.87 117.51 117.59 3dxu h ILE 130 Ca 0.63 -0.68 0.00 0.00 1.55 0.00 0.00 64.86 66.36 3dxu h ILE 130 Cb 1.22 1.66 0.00 0.00 -0.27 0.00 0.00 36.82 39.43 3dxu h ILE 130 CO -0.50 0.01 -0.01 -1.22 -1.05 0.00 0.00 178.15 175.38 3dxu n TYR 131 N -3.10 0.00 -4.34 0.16 4.02 -0.70 -4.61 117.16 108.60 3dxu n TYR 131 Ca 0.02 0.00 -0.18 0.00 -0.01 0.00 0.00 57.90 57.73 3dxu n TYR 131 Cb 0.37 -0.25 -0.10 0.00 -0.02 0.00 0.00 39.34 39.35 3dxu n TYR 131 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 3dxu s ASN 132 N -2.51 2.17 -0.44 7.72 -0.87 -1.08 -5.11 114.94 114.81 3dxu s ASN 132 Ca 0.30 -1.13 0.02 0.00 -1.57 0.00 0.00 52.86 50.49 3dxu s ASN 132 Cb 0.20 -0.06 0.14 0.00 -0.02 0.00 0.00 41.25 41.52 3dxu s ASN 132 CO 0.45 -0.37 0.27 -0.44 -2.57 0.00 0.00 177.10 174.44 3dxu s SER 133 N -3.31 3.34 0.74 -1.22 0.01 -1.26 -4.68 113.70 107.32 3dxu s SER 133 Ca 0.25 -2.72 -0.11 0.00 1.31 0.00 0.00 55.95 54.67 3dxu s SER 133 Cb 0.03 -0.90 0.03 0.00 0.21 0.00 0.00 66.02 65.40 3dxu s SER 133 CO 0.07 -0.24 1.10 -2.16 0.41 0.00 0.00 173.24 172.42 3dxu s PRO 134 N 0.27 2.60 -0.13 12.44 0.04 -1.26 -4.53 135.00 144.42 3dxu s PRO 134 Ca 0.20 0.48 0.01 0.00 0.04 0.00 0.00 61.00 61.74 3dxu s PRO 134 Cb -0.18 -1.99 -0.01 0.00 0.04 0.00 0.00 34.50 32.36 3dxu s PRO 134 CO -0.04 -1.23 -0.16 0.42 0.04 0.00 0.00 177.00 176.03 3dxu s ILE 135 N -3.32 2.71 0.06 0.56 1.01 -1.26 -0.97 121.20 119.99 3dxu s ILE 135 Ca 0.59 -0.78 0.05 0.00 0.00 0.00 0.00 60.65 60.51 3dxu s ILE 135 Cb -0.12 -2.12 -0.03 0.00 0.01 0.00 0.00 42.46 40.20 3dxu s ILE 135 CO 0.52 0.53 -0.14 -0.72 0.00 0.00 0.00 174.94 175.14 3dxu s TYR 136 N 0.49 1.16 -0.63 3.97 -0.00 0.67 -4.48 117.35 118.54 3dxu s TYR 136 Ca -0.11 -0.45 -0.14 0.00 -0.00 0.00 0.00 57.07 56.37 3dxu s TYR 136 Cb -0.16 -0.66 0.16 0.00 -0.00 0.00 0.00 41.96 41.30 3dxu s TYR 136 CO 0.05 0.04 0.58 0.20 -0.00 0.00 0.00 175.55 176.41 3dxu s GLY 137 N -1.64 2.29 0.18 5.49 0.00 0.76 -1.24 107.32 113.16 3dxu s GLY 137 Ca -0.02 -2.82 0.07 0.00 0.00 0.00 0.00 44.72 41.95 3dxu s GLY 137 CO 0.02 1.21 0.01 0.00 0.00 0.00 0.00 173.10 174.34 3dxu s ALA 138 N 1.06 3.22 -1.33 3.20 0.00 -1.26 -0.15 121.76 126.50 3dxu s ALA 138 Ca 0.09 -1.37 -0.02 0.00 0.00 0.00 0.00 51.96 50.65 3dxu s ALA 138 Cb -0.23 -1.00 0.01 0.00 0.00 0.00 0.00 23.12 21.90 3dxu s ALA 138 CO -0.01 0.47 0.77 -0.25 0.00 0.00 0.00 175.76 176.73 3dxu n ASP 139 N -0.18 -1.78 -4.55 0.00 8.00 -1.12 -4.93 116.55 111.99 3dxu n ASP 139 Ca -0.09 -0.79 -0.42 0.00 0.71 0.00 0.00 54.79 54.20 3dxu n ASP 139 Cb 0.55 -4.15 -0.07 0.00 -0.02 0.00 0.00 41.12 37.44 3dxu n ASP 139 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3dxu s ILE 140 N -3.59 4.92 0.16 0.53 1.01 -0.68 -4.87 121.20 118.68 3dxu s ILE 140 Ca 0.10 0.40 -0.32 0.00 0.00 0.00 0.00 60.65 60.82 3dxu s ILE 140 Cb -0.05 -4.06 -0.12 0.00 0.01 0.00 0.00 42.46 38.24 3dxu s ILE 140 CO 0.81 -0.34 1.72 -1.20 0.00 0.00 0.00 174.94 175.93 3dxu n SER 141 N 5.98 3.75 0.00 3.58 7.64 -1.26 0.14 113.62 133.45 3dxu n SER 141 Ca -0.03 1.04 0.00 0.00 1.01 0.00 0.00 58.87 60.90 3dxu n SER 141 Cb 0.48 -1.52 0.00 0.00 -1.01 0.00 0.00 64.21 62.16 3dxu n SER 141 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3dxu n GLY 142 N 3.91 1.52 3.08 0.23 0.00 -0.94 -4.83 105.19 108.16 3dxu n GLY 142 Ca 0.17 -1.31 -0.12 0.00 0.00 0.00 0.00 46.02 44.75 3dxu n GLY 142 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3dxu s SER 143 N 0.00 -0.15 0.00 1.61 0.15 -1.26 -3.76 113.70 110.29 3dxu s SER 143 Ca 0.00 0.25 0.15 0.00 0.70 0.00 0.00 55.95 57.05 3dxu s SER 143 Cb 0.00 0.35 0.17 0.00 -1.71 0.00 0.00 66.02 64.82 3dxu s SER 143 CO 0.00 -0.14 1.04 0.18 1.20 0.00 0.00 173.24 175.53 3dxu n LEU 144 N 2.62 2.43 -4.72 3.45 4.77 -1.26 -4.99 117.00 119.31 3dxu n LEU 144 Ca -0.15 -1.16 -0.42 0.00 -0.03 0.00 0.00 56.01 54.25 3dxu n LEU 144 Cb 0.58 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.59 3dxu n LEU 144 CO 0.20 0.47 0.89 -0.36 -1.33 0.00 0.00 177.39 177.27 3dxu s PHE 145 N -1.23 3.43 0.19 -1.77 0.40 -1.26 -4.66 117.98 113.08 3dxu s PHE 145 Ca 0.20 1.30 -0.32 0.00 -0.60 0.00 0.00 56.93 57.51 3dxu s PHE 145 Cb 0.13 -3.43 -0.12 0.00 0.51 0.00 0.00 43.02 40.11 3dxu s PHE 145 CO 0.20 -1.32 1.71 -3.47 0.70 0.00 0.00 175.22 173.04 3dxu n ASP 146 N 3.76 3.88 -0.53 1.36 -0.08 -0.64 -4.86 116.55 119.44 3dxu n ASP 146 Ca 0.09 1.06 0.44 0.00 -1.51 0.00 0.00 54.79 54.86 3dxu n ASP 146 Cb 0.46 -1.55 0.77 0.00 2.34 0.00 0.00 41.12 43.14 3dxu n ASP 146 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 3dxu h GLU 147 N 6.80 0.02 0.00 -0.67 4.81 -1.94 -0.56 114.58 123.04 3dxu h GLU 147 Ca -0.44 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 3dxu h GLU 147 Cb 1.21 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.59 3dxu h GLU 147 CO 0.95 0.01 -0.62 0.09 -0.73 0.00 0.00 179.01 178.71 3dxu n ASN 148 N -4.13 0.60 -4.61 1.04 3.02 -1.26 -4.79 115.26 105.12 3dxu n ASN 148 Ca 0.36 -0.36 -0.43 0.00 -0.03 0.00 0.00 54.58 54.12 3dxu n ASN 148 Cb 1.64 0.41 -0.03 0.00 -0.61 0.00 0.00 39.78 41.19 3dxu n ASN 148 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3dxu s THR 149 N -3.02 3.42 -0.11 3.41 2.01 -0.22 -4.88 115.64 116.25 3dxu s THR 149 Ca 0.10 0.44 0.15 0.00 0.31 0.00 0.00 61.69 62.69 3dxu s THR 149 Cb 0.17 -3.52 -0.09 0.00 0.01 0.00 0.00 72.50 69.07 3dxu s THR 149 CO 0.74 -0.30 1.02 0.11 -0.69 0.00 0.00 174.62 175.49 3dxu h LYS 150 N 12.70 0.00 -5.84 4.92 1.57 -1.86 -3.42 116.57 124.64 3dxu h LYS 150 Ca -0.36 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 57.75 3dxu h LYS 150 Cb 1.18 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 33.32 3dxu h LYS 150 CO 1.01 0.41 -0.64 -0.65 -0.57 0.00 0.00 179.45 179.00 3dxu s GLN 151 N -2.90 3.12 -1.49 3.15 -0.21 -1.26 -4.56 119.66 115.52 3dxu s GLN 151 Ca -0.01 -0.46 -0.06 0.00 0.02 0.00 0.00 55.36 54.85 3dxu s GLN 151 Cb 0.08 -2.79 0.02 0.00 1.00 0.00 0.00 33.01 31.32 3dxu s GLN 151 CO 0.79 0.58 0.61 0.91 -2.12 0.00 0.00 175.29 176.06 3dxu n TRP 152 N 2.52 -1.98 -2.71 0.91 7.02 -1.26 -4.91 117.44 117.03 3dxu n TRP 152 Ca -0.18 0.54 -0.43 0.00 -1.02 0.00 0.00 57.50 56.41 3dxu n TRP 152 Cb 0.53 -4.18 -0.03 0.00 -2.42 0.00 0.00 31.31 25.20 3dxu n TRP 152 CO 0.00 0.00 0.00 1.21 -2.02 0.00 0.00 177.69 176.88 3dxu s ASN 153 N -2.74 6.41 0.46 -0.99 3.84 -1.26 -4.91 114.94 115.74 3dxu s ASN 153 Ca 0.34 -0.08 0.31 0.00 0.21 0.00 0.00 52.86 53.64 3dxu s ASN 153 Cb -0.16 -2.50 1.68 0.00 -0.55 0.00 0.00 41.25 39.73 3dxu s ASN 153 CO 0.42 -1.34 1.95 -0.07 -2.79 0.00 0.00 177.10 175.27 3dxu h LEU 154 N 11.40 0.00 -0.48 3.21 3.38 -1.95 0.09 115.31 130.96 3dxu h LEU 154 Ca -0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.72 3dxu h LEU 154 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 3dxu h LEU 154 CO 1.13 0.00 -0.07 0.61 0.09 0.00 0.00 178.44 180.21 3dxu n GLY 155 N -1.20 -0.57 0.27 0.83 0.00 -1.26 -4.19 105.19 99.06 3dxu n GLY 155 Ca -0.02 -0.33 0.08 0.00 0.00 0.00 0.00 46.02 45.74 3dxu n GLY 155 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3dxu n HIS 156 N -0.52 0.00 -2.00 1.61 8.25 0.02 -4.98 115.22 117.60 3dxu n HIS 156 Ca 0.18 -0.91 -0.30 0.00 -0.26 0.00 0.00 57.72 56.43 3dxu n HIS 156 Cb 0.28 -0.15 0.02 0.00 1.12 0.00 0.00 29.99 31.26 3dxu n HIS 156 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3dxu s LEU 157 N -2.41 3.16 0.57 2.41 1.43 -1.22 -4.94 118.68 117.69 3dxu s LEU 157 Ca 0.28 1.22 -0.18 0.00 -1.03 0.00 0.00 54.13 54.42 3dxu s LEU 157 Cb 0.26 -4.16 -0.05 0.00 0.03 0.00 0.00 46.19 42.27 3dxu s LEU 157 CO 0.00 -1.01 1.09 -0.83 0.23 0.00 0.00 176.35 175.83 3dxu s GLY 158 N -4.24 2.38 0.62 -3.19 0.00 -1.26 -5.00 107.32 96.62 3dxu s GLY 158 Ca 0.55 0.62 -0.11 0.00 0.00 0.00 0.00 44.72 45.78 3dxu s GLY 158 CO 0.52 0.96 1.02 -0.51 0.00 0.00 0.00 173.10 175.08 3dxu s THR 159 N -2.10 4.63 0.33 0.90 -4.23 -1.26 -4.86 115.64 109.05 3dxu s THR 159 Ca 0.68 0.81 0.12 0.00 -1.18 0.00 0.00 61.69 62.12 3dxu s THR 159 Cb -0.20 -3.84 0.04 0.00 1.34 0.00 0.00 72.50 69.84 3dxu s THR 159 CO 0.31 -1.09 1.73 0.40 -0.54 0.00 0.00 174.62 175.43 3dxu h ILE 160 N -0.31 1.35 -0.26 2.99 2.04 -1.93 -2.33 117.51 119.06 3dxu h ILE 160 Ca -0.44 -1.65 -0.04 0.00 1.00 0.00 0.00 64.86 63.73 3dxu h ILE 160 Cb 1.20 1.88 -0.01 0.00 -0.74 0.00 0.00 36.82 39.15 3dxu h ILE 160 CO 0.62 0.47 0.00 1.56 0.00 0.00 0.00 178.15 180.80 3dxu h GLN 161 N 0.01 0.45 -0.14 2.37 7.50 -1.93 -1.10 115.11 122.26 3dxu h GLN 161 Ca -0.00 -0.14 -0.07 0.00 0.50 0.00 0.00 58.65 58.93 3dxu h GLN 161 Cb 0.85 -0.04 -0.01 0.00 0.05 0.00 0.00 27.48 28.33 3dxu h GLN 161 CO 0.06 0.62 -0.24 -0.44 -1.50 0.00 0.00 178.83 177.33 3dxu h ASP 162 N 0.23 0.24 0.32 1.46 3.32 -1.91 -1.50 116.42 118.58 3dxu h ASP 162 Ca 0.07 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 3dxu h ASP 162 Cb 0.41 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.90 3dxu h ASP 162 CO 0.01 0.49 -0.15 0.25 -1.72 0.00 0.00 179.24 178.12 3dxu h LEU 163 N 0.22 -0.36 -0.49 1.55 7.12 -1.23 -0.41 115.31 121.71 3dxu h LEU 163 Ca 0.04 -0.09 0.10 0.00 0.13 0.00 0.00 57.88 58.06 3dxu h LEU 163 Cb 0.56 0.09 -0.10 0.00 -0.53 0.00 0.00 40.66 40.68 3dxu h LEU 163 CO 0.04 -0.13 -0.16 0.25 -0.13 0.00 0.00 178.44 178.32 3dxu h LEU 164 N -0.59 -0.56 -0.50 2.25 7.12 -1.19 -0.33 115.31 121.51 3dxu h LEU 164 Ca -0.04 0.16 0.05 0.00 0.13 0.00 0.00 57.88 58.17 3dxu h LEU 164 Cb 0.43 0.34 -0.05 0.00 -0.53 0.00 0.00 40.66 40.86 3dxu h LEU 164 CO 0.07 -0.19 0.24 -0.08 -0.13 0.00 0.00 178.44 178.35 3dxu h GLU 165 N -0.04 0.46 -0.45 1.25 4.81 -1.20 0.04 114.58 119.45 3dxu h GLU 165 Ca 0.24 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.36 3dxu h GLU 165 Cb 0.40 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 3dxu h GLU 165 CO -0.53 0.31 -0.04 -0.22 -0.73 0.00 0.00 179.01 177.80 3dxu h LYS 166 N 0.48 0.76 0.10 1.92 3.64 -0.31 0.26 116.57 123.41 3dxu h LYS 166 Ca 0.22 -0.22 -0.28 0.00 -1.27 0.00 0.00 60.65 59.11 3dxu h LYS 166 Cb 0.15 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 3dxu h LYS 166 CO -0.17 0.80 -1.34 0.93 -2.27 0.00 0.00 179.45 177.40 3dxu h GLU 167 N 0.70 0.21 0.00 1.90 4.39 -0.86 -3.39 114.58 117.53 3dxu h GLU 167 Ca 0.13 -0.36 0.00 0.00 0.34 0.00 0.00 59.36 59.47 3dxu h GLU 167 Cb 0.49 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.28 3dxu h GLU 167 CO 0.03 1.11 -0.82 0.00 -1.16 0.00 0.00 179.01 178.17 3dxu n GLY 169 N 1.47 0.65 3.26 0.00 0.00 0.90 -5.01 105.19 106.46 3dxu n GLY 169 Ca 0.01 -0.54 -0.32 0.00 0.00 0.00 0.00 46.02 45.17 3dxu n GLY 169 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dxu s VAL 170 N -2.41 2.10 0.08 1.61 0.11 -1.24 -5.04 120.40 115.60 3dxu s VAL 170 Ca 0.00 -1.04 -0.26 0.00 -2.93 0.00 0.00 61.98 57.76 3dxu s VAL 170 Cb 0.00 -1.77 -0.06 0.00 -1.53 0.00 0.00 36.38 33.02 3dxu s VAL 170 CO 0.00 0.57 0.79 -0.69 -3.33 0.00 0.00 175.10 172.44 3dxu s VAL 171 N 0.00 4.62 0.05 2.04 1.01 -1.26 -3.70 120.40 123.15 3dxu s VAL 171 Ca -0.08 1.71 0.02 0.00 0.00 0.00 0.00 61.98 63.62 3dxu s VAL 171 Cb -0.15 -4.15 -0.03 0.00 0.00 0.00 0.00 36.38 32.05 3dxu s VAL 171 CO 0.05 0.39 -0.08 0.27 0.00 0.00 0.00 175.10 175.74 3dxu s ILE 172 N -0.29 0.56 0.96 2.22 -4.36 -1.26 -5.08 121.20 113.94 3dxu s ILE 172 Ca 0.39 -1.18 -0.12 0.00 -0.26 0.00 0.00 60.65 59.49 3dxu s ILE 172 Cb -0.21 -0.73 0.17 0.00 1.25 0.00 0.00 42.46 42.93 3dxu s ILE 172 CO 0.25 -0.44 1.09 -1.83 0.24 0.00 0.00 174.94 174.24 3dxu s GLU 173 N -1.84 0.69 0.00 0.37 1.03 -1.26 -4.97 118.70 112.72 3dxu s GLU 173 Ca -0.07 0.96 0.00 0.00 0.03 0.00 0.00 54.97 55.88 3dxu s GLU 173 Cb -0.08 -1.73 0.00 0.00 -0.80 0.00 0.00 34.13 31.52 3dxu s GLU 173 CO -0.00 -2.67 0.00 0.41 -1.33 0.00 0.00 175.26 171.67 3dxu n GLY 174 N -0.43 2.93 2.96 -3.83 0.00 -1.26 -4.90 105.19 100.67 3dxu n GLY 174 Ca 0.07 -1.78 -0.10 0.00 0.00 0.00 0.00 46.02 44.20 3dxu n GLY 174 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dxu s VAL 175 N -2.18 0.07 0.03 1.61 0.11 -1.26 -4.87 120.40 113.91 3dxu s VAL 175 Ca 0.00 -0.56 0.09 0.00 -2.93 0.00 0.00 61.98 58.58 3dxu s VAL 175 Cb 0.00 -0.20 -0.03 0.00 -1.53 0.00 0.00 36.38 34.62 3dxu s VAL 175 CO 0.00 -0.31 -0.25 0.54 -3.33 0.00 0.00 175.10 171.76 3dxu s ASN 176 N -0.92 3.27 0.04 3.54 6.03 -1.26 -4.94 114.94 120.70 3dxu s ASN 176 Ca -0.10 -0.53 0.00 0.00 -1.03 0.00 0.00 52.86 51.20 3dxu s ASN 176 Cb -0.06 -0.36 -0.03 0.00 -3.03 0.00 0.00 41.25 37.77 3dxu s ASN 176 CO -0.00 0.27 -0.04 0.42 -2.03 0.00 0.00 177.10 175.71 3dxu s THR 177 N -0.79 0.28 0.84 0.54 -4.23 -1.26 -4.93 115.64 106.09 3dxu s THR 177 Ca 0.12 -1.26 -0.11 0.00 -1.18 0.00 0.00 61.69 59.26 3dxu s THR 177 Cb -0.10 -0.78 0.09 0.00 1.34 0.00 0.00 72.50 73.06 3dxu s THR 177 CO 0.02 -0.63 1.09 -2.84 -0.54 0.00 0.00 174.62 171.72 3dxu s PRO 178 N -2.31 1.73 0.04 3.99 0.02 -1.26 -4.88 135.00 132.33 3dxu s PRO 178 Ca -0.06 1.05 0.07 0.00 0.02 0.00 0.00 61.00 62.07 3dxu s PRO 178 Cb -0.04 -1.85 -0.02 0.00 0.02 0.00 0.00 34.50 32.61 3dxu s PRO 178 CO -0.03 -1.98 -0.21 0.71 -0.33 0.00 0.00 177.00 175.16 3dxu s TYR 179 N -2.89 1.87 0.01 6.54 1.51 -0.09 -2.21 117.35 122.08 3dxu s TYR 179 Ca 0.62 -0.38 -0.03 0.00 -1.01 0.00 0.00 57.07 56.28 3dxu s TYR 179 Cb -0.18 -1.12 -0.04 0.00 -0.11 0.00 0.00 41.96 40.51 3dxu s TYR 179 CO 0.57 0.09 0.21 -0.51 -1.11 0.00 0.00 175.55 174.79 3dxu s LEU 180 N -1.14 4.36 -0.13 -1.29 1.43 0.12 -1.27 118.68 120.77 3dxu s LEU 180 Ca 0.08 0.38 -0.00 0.00 -1.03 0.00 0.00 54.13 53.56 3dxu s LEU 180 Cb -0.09 -2.71 0.03 0.00 0.03 0.00 0.00 46.19 43.45 3dxu s LEU 180 CO 0.02 0.24 -0.09 -0.31 0.23 0.00 0.00 176.35 176.43 3dxu s TYR 181 N -1.36 1.71 -0.29 0.29 1.51 0.39 -1.69 117.35 117.91 3dxu s TYR 181 Ca 0.29 -0.93 -0.09 0.00 -1.01 0.00 0.00 57.07 55.33 3dxu s TYR 181 Cb -0.13 -1.35 -0.03 0.00 -0.11 0.00 0.00 41.96 40.35 3dxu s TYR 181 CO 0.20 -0.57 0.14 -0.06 -1.11 0.00 0.00 175.55 174.15 3dxu s PHE 182 N 1.64 3.16 0.45 2.71 0.40 0.79 -0.98 117.98 126.16 3dxu s PHE 182 Ca 0.04 -0.33 0.06 0.00 -0.60 0.00 0.00 56.93 56.11 3dxu s PHE 182 Cb -0.13 -2.33 -0.03 0.00 0.51 0.00 0.00 43.02 41.04 3dxu s PHE 182 CO -0.09 -0.35 0.21 0.20 0.70 0.00 0.00 175.22 175.90 3dxu s GLY 183 N 1.66 2.43 0.28 4.36 0.00 -0.62 -0.17 107.32 115.26 3dxu s GLY 183 Ca 0.06 -1.69 -0.01 0.00 0.00 0.00 0.00 44.72 43.08 3dxu s GLY 183 CO 0.07 -1.95 0.31 -3.16 0.00 0.00 0.00 173.10 168.37 3dxu s MET 184 N -3.99 1.58 0.01 2.90 0.23 -1.24 -1.99 119.30 116.80 3dxu s MET 184 Ca 0.35 -1.70 -0.40 0.00 -1.03 0.00 0.00 55.69 52.91 3dxu s MET 184 Cb 0.02 0.36 -0.19 0.00 -1.53 0.00 0.00 34.83 33.49 3dxu s MET 184 CO 0.20 -0.60 1.12 1.87 -2.03 0.00 0.00 175.02 175.58 3dxu n TRP 185 N -0.45 0.80 0.00 3.16 -0.00 -1.25 -2.17 117.44 117.52 3dxu n TRP 185 Ca 0.03 0.99 0.00 0.00 -0.00 0.00 0.00 57.50 58.51 3dxu n TRP 185 Cb 0.63 -2.13 0.00 0.00 -0.00 0.00 0.00 31.31 29.81 3dxu n TRP 185 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 177.69 179.32 3dxu n LYS 186 N 1.71 0.00 -1.59 5.87 5.02 -0.96 -4.78 118.16 123.43 3dxu n LYS 186 Ca 0.20 0.00 -0.50 0.00 -2.02 0.00 0.00 58.31 55.99 3dxu n LYS 186 Cb 0.10 -1.55 -0.05 0.00 -0.02 0.00 0.00 35.03 33.51 3dxu n LYS 186 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 3dxu n THR 187 N -1.99 0.44 -4.48 -0.18 -1.04 -0.92 -4.78 114.28 101.33 3dxu n THR 187 Ca 0.00 -0.11 -0.21 0.00 -2.04 0.00 0.00 64.05 61.69 3dxu n THR 187 Cb 0.00 -0.91 -0.16 0.00 -1.82 0.00 0.00 70.33 67.45 3dxu n THR 187 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 3dxu s THR 188 N 0.19 0.91 -0.26 12.58 2.01 -1.26 -1.30 115.64 128.51 3dxu s THR 188 Ca 0.78 -0.43 -0.03 0.00 0.31 0.00 0.00 61.69 62.33 3dxu s THR 188 Cb -0.88 -0.80 0.02 0.00 0.01 0.00 0.00 72.50 70.85 3dxu s THR 188 CO 0.49 0.28 -0.03 -0.36 -0.69 0.00 0.00 174.62 174.30 3dxu s PHE 189 N 0.16 3.08 0.90 4.92 0.40 -0.13 -5.00 117.98 122.31 3dxu s PHE 189 Ca -0.03 -1.41 -0.11 0.00 -0.60 0.00 0.00 56.93 54.77 3dxu s PHE 189 Cb -0.09 -2.10 0.13 0.00 0.51 0.00 0.00 43.02 41.47 3dxu s PHE 189 CO 0.01 -0.69 1.10 0.00 0.70 0.00 0.00 175.22 176.33 3dxu s ALA 190 N 1.37 1.48 0.15 5.36 0.00 -1.26 -1.54 121.76 127.31 3dxu s ALA 190 Ca 0.01 0.15 -0.31 0.00 0.00 0.00 0.00 51.96 51.80 3dxu s ALA 190 Cb -0.17 -3.27 -0.10 0.00 0.00 0.00 0.00 23.12 19.59 3dxu s ALA 190 CO -0.03 -2.46 1.55 -1.58 0.00 0.00 0.00 175.76 173.24 3dxu s TRP 191 N -2.81 3.03 -0.10 0.00 0.52 -0.50 -4.48 118.94 114.60 3dxu s TRP 191 Ca 0.64 0.65 -0.31 0.00 0.02 0.00 0.00 56.10 57.10 3dxu s TRP 191 Cb -0.20 -3.89 0.12 0.00 -1.15 0.00 0.00 33.47 28.35 3dxu s TRP 191 CO 0.58 -3.29 1.01 -3.38 0.02 0.00 0.00 176.95 171.88 3dxu s HIS 192 N 1.29 -0.29 0.36 -1.98 -3.43 -0.86 -4.67 115.29 105.71 3dxu s HIS 192 Ca 0.69 0.29 0.07 0.00 -0.80 0.00 0.00 55.06 55.31 3dxu s HIS 192 Cb -0.42 0.51 -0.02 0.00 -1.43 0.00 0.00 32.58 31.22 3dxu s HIS 192 CO 0.31 -0.40 0.37 0.95 -2.00 0.00 0.00 174.74 173.98 3dxu s THR 193 N -2.37 3.39 0.92 -5.38 -4.23 -1.26 -1.04 115.64 105.67 3dxu s THR 193 Ca 0.04 -1.26 -0.11 0.00 -1.18 0.00 0.00 61.69 59.18 3dxu s THR 193 Cb -0.01 -3.17 0.15 0.00 1.34 0.00 0.00 72.50 70.81 3dxu s THR 193 CO -0.05 -0.12 1.09 -1.61 -0.54 0.00 0.00 174.62 173.39 3dxu s GLU 194 N -4.09 1.01 0.29 3.99 0.41 -1.26 -4.88 118.70 114.17 3dxu s GLU 194 Ca 0.45 0.96 -0.29 0.00 -0.41 0.00 0.00 54.97 55.68 3dxu s GLU 194 Cb -0.06 -1.77 -0.13 0.00 -1.78 0.00 0.00 34.13 30.39 3dxu s GLU 194 CO 0.28 -2.45 1.22 -0.25 -0.49 0.00 0.00 175.26 173.57 3dxu n ASP 195 N -4.05 2.21 -1.49 -0.19 8.00 -1.26 -1.24 116.55 118.54 3dxu n ASP 195 Ca 0.07 1.18 -0.15 0.00 0.71 0.00 0.00 54.79 56.60 3dxu n ASP 195 Cb 0.54 -1.40 -0.06 0.00 -0.02 0.00 0.00 41.12 40.19 3dxu n ASP 195 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 3dxu n MET 196 N 0.97 -1.37 -4.03 -1.24 2.81 -1.26 -1.73 117.12 111.27 3dxu n MET 196 Ca 0.08 0.90 -0.33 0.00 -1.81 0.00 0.00 57.70 56.55 3dxu n MET 196 Cb 0.33 -5.20 0.00 0.00 -0.71 0.00 0.00 33.22 27.64 3dxu n MET 196 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3dxu n ASP 197 N -0.80 -4.21 -4.56 7.83 8.00 -0.37 -3.85 116.55 118.59 3dxu n ASP 197 Ca -0.16 -0.86 -0.29 0.00 0.71 0.00 0.00 54.79 54.19 3dxu n ASP 197 Cb 0.51 -3.39 0.22 0.00 -0.02 0.00 0.00 41.12 38.45 3dxu n ASP 197 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3dxu s LEU 198 N -7.26 1.33 0.72 0.64 1.43 -0.71 -3.81 118.68 111.02 3dxu s LEU 198 Ca 0.70 1.57 -0.11 0.00 -1.03 0.00 0.00 54.13 55.26 3dxu s LEU 198 Cb -0.36 -3.62 0.02 0.00 0.03 0.00 0.00 46.19 42.25 3dxu s LEU 198 CO 0.86 -3.79 1.07 -0.31 0.23 0.00 0.00 176.35 174.40 3dxu s TYR 199 N -2.59 3.07 0.11 0.29 1.51 -0.61 -4.09 117.35 115.05 3dxu s TYR 199 Ca 0.67 1.34 0.04 0.00 -1.01 0.00 0.00 57.07 58.11 3dxu s TYR 199 Cb -0.23 -2.94 -0.04 0.00 -0.11 0.00 0.00 41.96 38.64 3dxu s TYR 199 CO 0.62 -1.34 -0.11 -1.54 -1.11 0.00 0.00 175.55 172.07 3dxu s SER 200 N -3.85 1.59 -0.03 2.29 1.04 -0.91 -2.06 113.70 111.77 3dxu s SER 200 Ca 0.59 -0.86 0.04 0.00 0.48 0.00 0.00 55.95 56.20 3dxu s SER 200 Cb -0.14 -0.00 -0.00 0.00 0.10 0.00 0.00 66.02 65.97 3dxu s SER 200 CO 0.55 -0.26 -0.13 -0.51 0.98 0.00 0.00 173.24 173.86 3dxu s ILE 201 N -2.59 1.12 -0.10 -1.02 2.07 -0.48 -0.66 121.20 119.54 3dxu s ILE 201 Ca 0.08 -0.55 0.00 0.00 -1.41 0.00 0.00 60.65 58.77 3dxu s ILE 201 Cb -0.02 -0.97 0.02 0.00 0.13 0.00 0.00 42.46 41.63 3dxu s ILE 201 CO 0.00 0.33 -0.09 0.21 -1.91 0.00 0.00 174.94 173.48 3dxu s ASN 202 N 0.04 2.08 -0.17 4.50 3.84 0.85 -2.25 114.94 123.82 3dxu s ASN 202 Ca -0.02 -0.31 -0.03 0.00 0.21 0.00 0.00 52.86 52.71 3dxu s ASN 202 Cb -0.09 -0.85 -0.02 0.00 -0.55 0.00 0.00 41.25 39.74 3dxu s ASN 202 CO 0.01 -0.07 -0.05 -0.47 -2.79 0.00 0.00 177.10 173.73 3dxu s TYR 203 N 1.41 2.98 -0.57 0.43 5.04 0.46 -0.07 117.35 127.03 3dxu s TYR 203 Ca -0.00 -0.47 -0.21 0.00 -2.44 0.00 0.00 57.07 53.95 3dxu s TYR 203 Cb -0.13 -1.98 0.06 0.00 0.35 0.00 0.00 41.96 40.26 3dxu s TYR 203 CO -0.05 -0.17 0.82 -1.17 -1.34 0.00 0.00 175.55 173.64 3dxu s LEU 204 N 0.62 4.62 0.07 6.97 2.96 -1.04 -0.17 118.68 132.72 3dxu s LEU 204 Ca -0.03 -0.84 -0.16 0.00 -0.22 0.00 0.00 54.13 52.87 3dxu s LEU 204 Cb -0.15 -2.53 -0.15 0.00 0.50 0.00 0.00 46.19 43.87 3dxu s LEU 204 CO 0.02 -1.16 1.30 0.45 -1.32 0.00 0.00 176.35 175.64 3dxu h HIS 205 N 9.26 0.79 -2.09 5.38 3.86 -1.04 -0.07 115.15 131.24 3dxu h HIS 205 Ca -0.28 -0.31 0.03 0.00 -1.16 0.00 0.00 60.37 58.65 3dxu h HIS 205 Cb 1.08 -0.14 -0.18 0.00 1.06 0.00 0.00 27.41 29.23 3dxu h HIS 205 CO 0.87 1.09 0.38 -0.48 0.86 0.00 0.00 177.93 180.64 3dxu s LEU 206 N -8.68 -0.48 0.00 2.43 2.34 -1.14 -4.52 118.68 108.62 3dxu s LEU 206 Ca -0.12 0.33 0.00 0.00 0.06 0.00 0.00 54.13 54.40 3dxu s LEU 206 Cb 0.07 2.21 0.00 0.00 -0.56 0.00 0.00 46.19 47.91 3dxu s LEU 206 CO 0.84 -0.59 0.00 0.61 -1.06 0.00 0.00 176.35 176.15 3dxu n GLY 207 N 0.36 -0.28 3.84 -3.48 0.00 -1.26 -1.23 105.19 103.14 3dxu n GLY 207 Ca -0.13 -1.63 -0.31 0.00 0.00 0.00 0.00 46.02 43.94 3dxu n GLY 207 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dxu s GLU 208 N 0.00 3.30 1.09 1.61 0.41 -0.03 -4.41 118.70 120.67 3dxu s GLU 208 Ca 0.00 0.90 -0.12 0.00 -0.41 0.00 0.00 54.97 55.34 3dxu s GLU 208 Cb 0.00 -2.04 0.24 0.00 -1.78 0.00 0.00 34.13 30.55 3dxu s GLU 208 CO 0.00 -0.81 1.06 -2.14 -0.49 0.00 0.00 175.26 172.88 3dxu s PRO 209 N -4.93 -0.30 -0.08 0.39 0.02 -1.26 -4.68 135.00 124.16 3dxu s PRO 209 Ca 0.57 0.74 0.02 0.00 0.02 0.00 0.00 61.00 62.35 3dxu s PRO 209 Cb -0.13 -1.63 0.01 0.00 0.02 0.00 0.00 34.50 32.77 3dxu s PRO 209 CO 0.51 -3.28 -0.16 0.21 -0.33 0.00 0.00 177.00 173.96 3dxu s LYS 210 N -4.68 2.13 -0.15 5.54 2.20 0.15 -0.66 119.74 124.28 3dxu s LYS 210 Ca 0.67 -0.55 -0.14 0.00 -0.36 0.00 0.00 55.97 55.59 3dxu s LYS 210 Cb -0.22 -1.73 -0.05 0.00 -1.51 0.00 0.00 37.83 34.32 3dxu s LYS 210 CO 0.61 0.04 0.30 0.99 -0.36 0.00 0.00 175.35 176.93 3dxu s THR 211 N 0.68 5.30 0.05 3.43 2.01 -0.35 0.69 115.64 127.44 3dxu s THR 211 Ca -0.14 0.56 0.06 0.00 0.31 0.00 0.00 61.69 62.48 3dxu s THR 211 Cb -0.16 -3.63 -0.04 0.00 0.01 0.00 0.00 72.50 68.68 3dxu s THR 211 CO 0.04 0.40 -0.11 0.26 -0.69 0.00 0.00 174.62 174.51 3dxu s TRP 212 N 0.40 2.73 0.01 4.92 0.52 0.15 -1.53 118.94 126.13 3dxu s TRP 212 Ca 0.17 -0.15 0.07 0.00 0.02 0.00 0.00 56.10 56.21 3dxu s TRP 212 Cb -0.13 -1.50 -0.02 0.00 -1.15 0.00 0.00 33.47 30.67 3dxu s TRP 212 CO 0.04 0.35 -0.20 0.71 0.02 0.00 0.00 176.95 177.87 3dxu s TYR 213 N -1.04 1.81 -0.06 -1.98 1.51 0.76 -1.74 117.35 116.61 3dxu s TYR 213 Ca 0.18 -0.35 -0.06 0.00 -1.01 0.00 0.00 57.07 55.82 3dxu s TYR 213 Cb -0.11 -1.13 0.02 0.00 -0.11 0.00 0.00 41.96 40.63 3dxu s TYR 213 CO 0.09 0.02 0.17 0.54 -1.11 0.00 0.00 175.55 175.26 3dxu s VAL 214 N -0.60 0.01 -0.18 0.71 0.11 -0.16 -1.67 120.40 118.61 3dxu s VAL 214 Ca 0.08 -0.07 -0.09 0.00 -2.93 0.00 0.00 61.98 58.97 3dxu s VAL 214 Cb -0.08 -0.27 -0.05 0.00 -1.53 0.00 0.00 36.38 34.45 3dxu s VAL 214 CO 0.00 -0.04 0.12 -0.69 -3.33 0.00 0.00 175.10 171.16 3dxu s VAL 215 N -0.06 5.33 0.24 2.04 1.01 -0.48 -1.14 120.40 127.33 3dxu s VAL 215 Ca -0.02 0.16 -0.31 0.00 0.00 0.00 0.00 61.98 61.81 3dxu s VAL 215 Cb -0.02 -3.41 -0.13 0.00 0.00 0.00 0.00 36.38 32.82 3dxu s VAL 215 CO 0.00 0.47 1.46 -0.81 0.00 0.00 0.00 175.10 176.22 3dxu n PRO 216 N 3.29 2.15 -0.33 2.72 -0.04 -1.23 -3.80 135.00 137.75 3dxu n PRO 216 Ca -0.17 0.77 0.22 0.00 -0.04 0.00 0.00 63.50 64.28 3dxu n PRO 216 Cb 0.52 -2.46 0.48 0.00 -0.04 0.00 0.00 33.50 32.01 3dxu n PRO 216 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 3dxu h PRO 217 N 4.55 0.42 0.00 0.54 0.11 -1.72 0.11 132.00 136.01 3dxu h PRO 217 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3dxu h PRO 217 Cb 1.26 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3dxu h PRO 217 CO 0.78 0.28 0.00 -0.85 -0.21 0.00 0.00 178.00 178.00 3dxu n GLU 218 N -4.70 0.03 -0.27 1.05 0.28 -1.26 -2.29 120.64 113.48 3dxu n GLU 218 Ca 0.26 0.32 0.05 0.00 -0.16 0.00 0.00 57.16 57.63 3dxu n GLU 218 Cb 0.86 -1.50 0.07 0.00 1.43 0.00 0.00 31.44 32.30 3dxu n GLU 218 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 3dxu n HIS 219 N -1.44 0.00 -0.28 -1.84 8.25 0.35 -4.78 115.22 115.48 3dxu n HIS 219 Ca 0.02 -0.49 0.16 0.00 -0.26 0.00 0.00 57.72 57.15 3dxu n HIS 219 Cb 0.08 -0.10 0.44 0.00 1.12 0.00 0.00 29.99 31.53 3dxu n HIS 219 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 3dxu h GLY 220 N 0.00 1.16 1.30 -1.41 0.00 -1.19 -1.11 103.07 101.83 3dxu h GLY 220 Ca 0.00 -0.25 0.03 0.00 0.00 0.00 0.00 47.33 47.11 3dxu h GLY 220 CO 0.00 0.00 0.40 1.46 0.00 0.00 0.00 176.54 178.41 3dxu h GLN 221 N 0.56 0.71 -0.84 4.80 4.20 -1.86 -1.94 115.11 120.73 3dxu h GLN 221 Ca 0.49 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 59.15 3dxu h GLN 221 Cb 1.01 -0.16 -0.04 0.00 0.30 0.00 0.00 27.48 28.59 3dxu h GLN 221 CO -0.23 0.47 0.51 0.00 -0.67 0.00 0.00 178.83 178.90 3dxu h ARG 222 N 0.73 1.15 -0.45 1.46 3.08 -1.56 -0.80 114.38 117.98 3dxu h ARG 222 Ca 0.24 -0.11 -0.09 0.00 0.07 0.00 0.00 59.98 60.10 3dxu h ARG 222 Cb 0.06 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 29.86 3dxu h ARG 222 CO -0.06 0.81 -0.07 1.25 -1.07 0.00 0.00 179.97 180.83 3dxu h LEU 223 N 1.16 0.84 -0.61 3.04 5.85 -1.32 -1.68 115.31 122.59 3dxu h LEU 223 Ca 0.30 -0.34 0.05 0.00 0.84 0.00 0.00 57.88 58.73 3dxu h LEU 223 Cb -0.04 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 40.71 3dxu h LEU 223 CO -0.06 0.98 0.34 -0.33 -0.34 0.00 0.00 178.44 179.04 3dxu h GLU 224 N 0.68 0.63 -0.35 1.25 5.08 -1.19 0.46 114.58 121.14 3dxu h GLU 224 Ca 0.12 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.45 3dxu h GLU 224 Cb 0.59 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 3dxu h GLU 224 CO 0.04 0.42 0.22 -0.09 -1.00 0.00 0.00 179.01 178.59 3dxu h ARG 225 N 0.65 0.44 -0.48 2.33 2.43 -0.98 -0.78 114.38 118.00 3dxu h ARG 225 Ca 0.27 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.34 3dxu h ARG 225 Cb 0.13 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 3dxu h ARG 225 CO -0.15 0.29 0.04 1.25 -1.51 0.00 0.00 179.97 179.88 3dxu h LEU 226 N 0.45 0.80 -1.04 3.80 5.85 -0.91 -2.22 115.31 122.03 3dxu h LEU 226 Ca 0.14 -0.28 -0.00 0.00 0.84 0.00 0.00 57.88 58.57 3dxu h LEU 226 Cb -0.02 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.75 3dxu h LEU 226 CO -0.05 0.88 0.53 0.00 -0.34 0.00 0.00 178.44 179.47 3dxu h ALA 227 N 0.94 1.29 -0.02 1.25 0.00 -0.74 0.13 119.26 122.11 3dxu h ALA 227 Ca 0.14 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 3dxu h ALA 227 Cb 0.45 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3dxu h ALA 227 CO 0.02 0.62 -0.26 -0.09 0.00 0.00 0.00 179.25 179.54 3dxu h ARG 228 N 1.21 0.03 0.03 0.00 2.43 -0.88 0.93 114.38 118.14 3dxu h ARG 228 Ca 0.32 -0.01 -0.24 0.00 -0.81 0.00 0.00 59.98 59.23 3dxu h ARG 228 Cb -0.06 -0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.49 3dxu h ARG 228 CO -0.06 0.29 -1.03 1.49 -1.51 0.00 0.00 179.97 179.16 3dxu h GLU 229 N 0.03 0.45 0.00 0.20 4.81 -0.55 -3.30 114.58 116.22 3dxu h GLU 229 Ca 0.00 -0.52 -0.18 0.00 -0.13 0.00 0.00 59.36 58.53 3dxu h GLU 229 Cb 0.48 0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.99 3dxu h GLU 229 CO 0.03 1.18 -0.91 -0.07 -0.73 0.00 0.00 179.01 178.51 3dxu h LEU 230 N 0.23 0.00 -6.22 1.64 3.38 -0.39 -3.36 115.31 110.60 3dxu h LEU 230 Ca -0.10 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.27 3dxu h LEU 230 Cb 1.68 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 42.01 3dxu h LEU 230 CO 0.18 0.79 -0.68 0.49 0.09 0.00 0.00 178.44 179.32 3dxu n PHE 231 N -3.25 2.93 -0.29 1.13 3.01 0.29 -4.97 117.46 116.31 3dxu n PHE 231 Ca -0.01 -4.06 -0.03 0.00 1.01 0.00 0.00 57.45 54.35 3dxu n PHE 231 Cb 0.87 -0.52 0.08 0.00 -0.01 0.00 0.00 39.48 39.90 3dxu n PHE 231 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 3dxu h PRO 232 N 4.24 1.01 -0.04 -1.08 0.13 -1.72 -0.33 132.00 134.21 3dxu h PRO 232 Ca 0.18 -0.06 -0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3dxu h PRO 232 Cb 0.70 -0.23 -0.00 0.00 0.13 0.00 0.00 31.00 31.60 3dxu h PRO 232 CO 0.76 0.67 0.02 0.78 -0.23 0.00 0.00 178.00 180.00 3dxu h GLY 233 N 1.04 0.07 1.24 1.56 0.00 -1.93 -2.18 103.07 102.87 3dxu h GLY 233 Ca 0.30 -0.04 -0.03 0.00 0.00 0.00 0.00 47.33 47.56 3dxu h GLY 233 CO -0.08 0.03 0.31 1.76 0.00 0.00 0.00 176.54 178.56 3dxu h SER 234 N -0.08 0.88 -0.85 0.19 0.02 -1.93 -2.94 113.55 108.84 3dxu h SER 234 Ca 0.01 -0.10 0.05 0.00 -0.84 0.00 0.00 61.79 60.91 3dxu h SER 234 Cb 0.15 -0.23 -0.06 0.00 0.14 0.00 0.00 62.40 62.41 3dxu h SER 234 CO -0.00 0.76 0.53 -1.28 -1.14 0.00 0.00 176.83 175.70 3dxu h SER 235 N 0.97 0.86 -0.37 3.07 0.87 -0.80 -2.86 113.55 115.28 3dxu h SER 235 Ca 0.23 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.79 3dxu h SER 235 Cb 0.13 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 61.90 3dxu h SER 235 CO -0.03 0.57 0.17 0.03 -0.53 0.00 0.00 176.83 177.04 3dxu h ARG 236 N 1.00 0.54 -0.11 2.24 3.08 -1.23 -2.96 114.38 116.94 3dxu h ARG 236 Ca 0.36 -0.09 0.03 0.00 0.07 0.00 0.00 59.98 60.35 3dxu h ARG 236 Cb 0.10 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 3dxu h ARG 236 CO -0.15 0.50 0.14 0.78 -1.07 0.00 0.00 179.97 180.16 3dxu h GLY 237 N 0.46 0.00 -5.24 0.04 0.00 -1.37 -3.44 103.07 93.53 3dxu h GLY 237 Ca 0.13 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.50 3dxu h GLY 237 CO -0.01 0.00 0.12 0.00 0.00 0.00 0.00 176.54 176.65 3dxu n GLY 239 N 4.09 -0.49 2.73 0.00 0.00 -1.26 -3.40 105.19 106.85 3dxu n GLY 239 Ca -0.19 -0.09 -0.04 0.00 0.00 0.00 0.00 46.02 45.69 3dxu n GLY 239 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dxu n ALA 240 N -0.98 2.67 0.29 4.61 0.00 -1.26 -4.98 120.51 120.87 3dxu n ALA 240 Ca 0.11 -2.29 0.17 0.00 0.00 0.00 0.00 53.44 51.43 3dxu n ALA 240 Cb 0.05 -0.91 0.64 0.00 0.00 0.00 0.00 19.45 19.24 3dxu n ALA 240 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3dxu h PHE 241 N 2.32 0.00 0.00 0.00 -5.15 -1.87 -0.62 116.94 111.62 3dxu h PHE 241 Ca -0.21 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.56 3dxu h PHE 241 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.42 3dxu h PHE 241 CO 0.33 0.00 0.00 -0.07 -2.00 0.00 0.00 178.31 176.57 3dxu h LEU 242 N 0.00 0.00 -2.30 2.10 3.38 -1.91 0.42 115.31 117.01 3dxu h LEU 242 Ca 0.00 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.01 3dxu h LEU 242 Cb 0.51 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 3dxu h LEU 242 CO 0.00 0.00 0.14 0.03 0.09 0.00 0.00 178.44 178.70 3dxu h ARG 243 N 0.00 0.00 0.00 1.13 2.47 -1.43 -1.89 114.38 114.66 3dxu h ARG 243 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3dxu h ARG 243 Cb 0.18 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.50 3dxu h ARG 243 CO 0.00 0.00 0.00 0.45 0.56 0.00 0.00 179.97 180.98 3dxu h HIS 244 N 0.00 0.00 -5.79 3.04 3.86 -1.08 -3.45 115.15 111.73 3dxu h HIS 244 Ca 0.06 0.00 -0.35 0.00 -1.16 0.00 0.00 60.37 58.92 3dxu h HIS 244 Cb 0.34 0.00 0.13 0.00 1.06 0.00 0.00 27.41 28.94 3dxu h HIS 244 CO 0.00 0.00 -0.82 1.63 0.86 0.00 0.00 177.93 179.60 3dxu n LYS 245 N -3.02 -4.59 0.00 2.45 5.02 -0.71 -4.94 118.16 112.37 3dxu n LYS 245 Ca 0.01 0.75 0.00 0.00 -2.02 0.00 0.00 58.31 57.05 3dxu n LYS 245 Cb 0.35 -5.49 0.00 0.00 -0.02 0.00 0.00 35.03 29.86 3dxu n LYS 245 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 3dxu n VAL 246 N -3.97 0.00 -3.76 -0.18 0.24 -1.26 -4.58 118.33 104.83 3dxu n VAL 246 Ca -0.22 -0.27 -0.36 0.00 -2.04 0.00 0.00 64.34 61.45 3dxu n VAL 246 Cb 0.65 0.90 -0.07 0.00 -1.47 0.00 0.00 33.84 33.85 3dxu n VAL 246 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3dxu s ALA 247 N -0.73 3.75 -0.04 2.33 0.00 -1.26 -0.65 121.76 125.15 3dxu s ALA 247 Ca 0.00 -0.64 0.05 0.00 0.00 0.00 0.00 51.96 51.38 3dxu s ALA 247 Cb 0.00 -2.13 -0.01 0.00 0.00 0.00 0.00 23.12 20.98 3dxu s ALA 247 CO 0.00 0.32 -0.19 -0.51 0.00 0.00 0.00 175.76 175.38 3dxu s LEU 248 N -0.16 1.97 -0.03 0.00 2.01 0.27 -1.41 118.68 121.33 3dxu s LEU 248 Ca 0.12 -0.38 -0.01 0.00 0.01 0.00 0.00 54.13 53.87 3dxu s LEU 248 Cb -0.12 -1.06 0.03 0.00 0.01 0.00 0.00 46.19 45.05 3dxu s LEU 248 CO 0.01 0.19 0.03 -0.63 1.01 0.00 0.00 176.35 176.97 3dxu s ILE 249 N -0.12 -0.00 0.68 -0.59 1.01 -1.26 -2.14 121.20 118.77 3dxu s ILE 249 Ca -0.01 0.27 -0.11 0.00 0.00 0.00 0.00 60.65 60.80 3dxu s ILE 249 Cb -0.11 -0.18 -0.00 0.00 0.01 0.00 0.00 42.46 42.18 3dxu s ILE 249 CO 0.02 0.15 1.05 -0.94 0.00 0.00 0.00 174.94 175.22 3dxu s SER 250 N 1.56 5.60 0.37 3.58 1.04 0.34 -4.83 113.70 121.36 3dxu s SER 250 Ca -0.03 1.53 0.13 0.00 0.48 0.00 0.00 55.95 58.06 3dxu s SER 250 Cb -0.13 -2.45 0.93 0.00 0.10 0.00 0.00 66.02 64.48 3dxu s SER 250 CO -0.03 -1.29 1.82 -0.65 0.98 0.00 0.00 173.24 174.07 3dxu h PRO 251 N -0.61 0.55 -0.15 4.02 0.11 -1.99 -0.75 132.00 133.18 3dxu h PRO 251 Ca -0.44 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 3dxu h PRO 251 Cb 1.21 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 3dxu h PRO 251 CO 0.59 0.36 0.05 1.15 -0.21 0.00 0.00 178.00 179.94 3dxu h THR 252 N 0.57 1.17 -0.62 -1.15 2.02 -1.96 -1.38 112.91 111.57 3dxu h THR 252 Ca 0.53 -0.53 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 3dxu h THR 252 Cb 1.08 1.25 -0.03 0.00 -1.74 0.00 0.00 68.15 68.71 3dxu h THR 252 CO -0.27 0.16 0.36 0.58 0.37 0.00 0.00 175.52 176.72 3dxu h VAL 253 N 0.07 1.19 -0.65 3.16 2.07 -1.74 -0.45 116.25 119.89 3dxu h VAL 253 Ca 0.05 -0.46 0.04 0.00 0.82 0.00 0.00 66.70 67.15 3dxu h VAL 253 Cb 0.21 0.37 -0.05 0.00 -1.52 0.00 0.00 31.29 30.30 3dxu h VAL 253 CO -0.00 0.20 0.39 -0.07 0.02 0.00 0.00 177.57 178.11 3dxu h LEU 254 N 0.84 0.61 0.24 2.57 3.38 -1.06 -2.33 115.31 119.57 3dxu h LEU 254 Ca 0.22 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 3dxu h LEU 254 Cb 0.01 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.65 3dxu h LEU 254 CO -0.04 0.41 -0.12 0.11 0.09 0.00 0.00 178.44 178.90 3dxu h LYS 255 N 0.74 -0.31 -0.85 1.13 1.57 -0.93 -1.07 116.57 116.85 3dxu h LYS 255 Ca 0.27 0.02 0.25 0.00 -1.87 0.00 0.00 60.65 59.32 3dxu h LYS 255 Cb 0.08 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.43 3dxu h LYS 255 CO -0.13 -0.14 0.66 0.93 -0.57 0.00 0.00 179.45 180.20 3dxu h GLU 256 N -0.42 0.00 -0.45 3.15 5.08 -0.93 -1.30 114.58 119.71 3dxu h GLU 256 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3dxu h GLU 256 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 3dxu h GLU 256 CO 0.05 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.15 3dxu n ASN 257 N -4.09 3.22 -1.45 1.42 3.02 -0.89 -4.97 115.26 111.52 3dxu n ASN 257 Ca 0.17 -1.96 -0.13 0.00 -0.03 0.00 0.00 54.58 52.63 3dxu n ASN 257 Cb 0.96 -0.30 -0.01 0.00 -0.61 0.00 0.00 39.78 39.82 3dxu n ASN 257 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dxu n GLY 258 N 0.96 0.03 3.64 7.41 0.00 -0.49 -4.99 105.19 111.74 3dxu n GLY 258 Ca 0.16 -0.34 -0.40 0.00 0.00 0.00 0.00 46.02 45.44 3dxu n GLY 258 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dxu s ILE 259 N -2.64 5.03 0.31 -0.61 -1.09 -0.47 -5.04 121.20 116.69 3dxu s ILE 259 Ca 0.00 1.08 -0.28 0.00 -2.23 0.00 0.00 60.65 59.22 3dxu s ILE 259 Cb 0.00 -3.90 -0.09 0.00 -1.58 0.00 0.00 42.46 36.88 3dxu s ILE 259 CO 0.00 0.08 1.08 -2.16 -1.23 0.00 0.00 174.94 172.71 3dxu s PRO 260 N 2.19 4.52 0.32 2.79 0.04 -1.26 -4.61 135.00 138.99 3dxu s PRO 260 Ca 0.26 1.71 -0.17 0.00 0.04 0.00 0.00 61.00 62.83 3dxu s PRO 260 Cb -0.16 -3.02 0.03 0.00 0.04 0.00 0.00 34.50 31.39 3dxu s PRO 260 CO 0.09 0.14 0.71 -0.59 0.04 0.00 0.00 177.00 177.38 3dxu s PHE 261 N -1.29 0.05 0.04 0.56 -0.12 -1.26 -4.29 117.98 111.67 3dxu s PHE 261 Ca 0.48 -0.57 -0.07 0.00 -0.05 0.00 0.00 56.93 56.71 3dxu s PHE 261 Cb -0.29 0.66 -0.00 0.00 -0.63 0.00 0.00 43.02 42.76 3dxu s PHE 261 CO 0.37 -1.33 0.14 -0.80 -0.05 0.00 0.00 175.22 173.55 3dxu s ASN 262 N -3.00 0.11 0.09 1.98 0.01 -0.29 -4.96 114.94 108.87 3dxu s ASN 262 Ca 0.15 -0.46 0.09 0.00 -0.71 0.00 0.00 52.86 51.93 3dxu s ASN 262 Cb -0.05 0.26 -0.03 0.00 0.41 0.00 0.00 41.25 41.84 3dxu s ASN 262 CO 0.10 -0.53 -0.22 0.00 -1.51 0.00 0.00 177.10 174.93 3dxu s ARG 263 N -2.60 1.29 -0.10 -0.60 1.70 -1.26 -0.99 118.95 116.40 3dxu s ARG 263 Ca -0.05 -1.14 -0.25 0.00 -0.47 0.00 0.00 55.73 53.83 3dxu s ARG 263 Cb -0.01 -1.56 0.06 0.00 -0.57 0.00 0.00 34.95 32.87 3dxu s ARG 263 CO -0.04 0.38 0.58 -1.50 -1.08 0.00 0.00 175.30 173.64 3dxu s ILE 264 N -1.02 0.01 -0.21 4.99 2.07 -0.71 -5.00 121.20 121.32 3dxu s ILE 264 Ca 0.09 -0.10 -0.06 0.00 -1.41 0.00 0.00 60.65 59.17 3dxu s ILE 264 Cb -0.10 -0.87 -0.03 0.00 0.13 0.00 0.00 42.46 41.59 3dxu s ILE 264 CO 0.04 -0.05 0.02 -0.89 -1.91 0.00 0.00 174.94 172.15 3dxu s THR 265 N -0.75 4.08 -0.11 4.00 2.01 -1.26 -0.67 115.64 122.93 3dxu s THR 265 Ca -0.08 -0.26 -0.17 0.00 0.31 0.00 0.00 61.69 61.48 3dxu s THR 265 Cb -0.02 -2.86 -0.04 0.00 0.01 0.00 0.00 72.50 69.58 3dxu s THR 265 CO 0.06 0.40 0.44 -1.58 -0.69 0.00 0.00 174.62 173.25 3dxu s GLN 266 N 1.15 4.29 0.31 4.92 0.74 0.22 -4.94 119.66 126.35 3dxu s GLN 266 Ca 0.03 0.38 0.08 0.00 0.05 0.00 0.00 55.36 55.91 3dxu s GLN 266 Cb -0.14 -3.41 -0.04 0.00 1.10 0.00 0.00 33.01 30.51 3dxu s GLN 266 CO 0.02 0.23 0.12 -1.21 -0.55 0.00 0.00 175.29 173.89 3dxu s GLU 267 N 0.42 2.42 0.27 1.67 2.02 -1.26 -0.67 118.70 123.57 3dxu s GLU 267 Ca 0.24 -1.46 -0.30 0.00 0.02 0.00 0.00 54.97 53.47 3dxu s GLU 267 Cb -0.15 -2.22 -0.13 0.00 0.10 0.00 0.00 34.13 31.73 3dxu s GLU 267 CO 0.09 0.20 1.42 0.00 0.02 0.00 0.00 175.26 177.00 3dxu n ALA 268 N -1.10 1.44 -0.03 5.21 0.00 -1.26 -2.28 120.51 122.49 3dxu n ALA 268 Ca -0.04 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.79 3dxu n ALA 268 Cb 0.60 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.74 3dxu n ALA 268 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dxu n GLY 269 N 1.84 0.53 3.37 0.00 0.00 -0.04 -5.01 105.19 105.87 3dxu n GLY 269 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 3dxu n GLY 269 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dxu s GLU 270 N -0.97 1.86 0.08 1.61 2.02 -0.97 -4.33 118.70 118.00 3dxu s GLU 270 Ca 0.00 -1.09 -0.13 0.00 0.02 0.00 0.00 54.97 53.77 3dxu s GLU 270 Cb 0.00 -2.02 -0.06 0.00 0.10 0.00 0.00 34.13 32.14 3dxu s GLU 270 CO 0.00 0.52 0.47 -0.06 0.02 0.00 0.00 175.26 176.20 3dxu s PHE 271 N -0.83 3.65 -0.05 1.61 0.40 -0.48 -2.48 117.98 119.80 3dxu s PHE 271 Ca 0.12 0.97 0.06 0.00 -0.60 0.00 0.00 56.93 57.48 3dxu s PHE 271 Cb -0.10 -2.29 -0.02 0.00 0.51 0.00 0.00 43.02 41.12 3dxu s PHE 271 CO 0.03 0.53 -0.21 -1.64 0.70 0.00 0.00 175.22 174.62 3dxu s MET 272 N -1.65 2.43 -0.17 0.44 -1.94 0.90 -1.09 119.30 118.22 3dxu s MET 272 Ca 0.32 -0.83 -0.01 0.00 -1.71 0.00 0.00 55.69 53.46 3dxu s MET 272 Cb -0.15 -2.22 -0.00 0.00 2.01 0.00 0.00 34.83 34.46 3dxu s MET 272 CO 0.17 0.51 -0.13 0.08 -0.01 0.00 0.00 175.02 175.65 3dxu s VAL 273 N -0.47 2.80 0.05 -6.03 1.01 -0.41 -0.11 120.40 117.24 3dxu s VAL 273 Ca 0.06 -0.71 -0.07 0.00 0.00 0.00 0.00 61.98 61.25 3dxu s VAL 273 Cb -0.12 -2.21 -0.05 0.00 0.00 0.00 0.00 36.38 34.00 3dxu s VAL 273 CO 0.01 0.50 0.32 0.42 0.00 0.00 0.00 175.10 176.35 3dxu s THR 274 N 1.01 5.22 0.14 3.92 -4.23 0.17 -1.47 115.64 120.40 3dxu s THR 274 Ca -0.01 0.24 0.03 0.00 -1.18 0.00 0.00 61.69 60.76 3dxu s THR 274 Cb -0.15 -3.60 -0.04 0.00 1.34 0.00 0.00 72.50 70.05 3dxu s THR 274 CO -0.02 0.30 0.25 -0.36 -0.54 0.00 0.00 174.62 174.24 3dxu s PHE 275 N -1.38 3.42 -0.03 3.99 0.40 -0.58 -2.14 117.98 121.66 3dxu s PHE 275 Ca 0.31 0.10 -0.39 0.00 -0.60 0.00 0.00 56.93 56.36 3dxu s PHE 275 Cb -0.13 -1.65 -0.17 0.00 0.51 0.00 0.00 43.02 41.58 3dxu s PHE 275 CO 0.18 0.52 1.36 -2.30 0.70 0.00 0.00 175.22 175.69 3dxu n PRO 276 N -0.42 0.81 -1.43 0.24 -0.02 -1.26 -0.88 135.00 132.05 3dxu n PRO 276 Ca -0.07 0.30 -0.15 0.00 -2.02 0.00 0.00 63.50 61.56 3dxu n PRO 276 Cb 0.54 -1.90 -0.06 0.00 -0.02 0.00 0.00 33.50 32.05 3dxu n PRO 276 CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46 3dxu n TYR 277 N 2.86 -0.00 -2.86 6.00 9.36 -1.25 -4.82 117.16 126.45 3dxu n TYR 277 Ca 0.21 0.00 -0.43 0.00 3.32 0.00 0.00 57.90 61.00 3dxu n TYR 277 Cb 0.14 -2.59 -0.04 0.00 -0.63 0.00 0.00 39.34 36.22 3dxu n TYR 277 CO 0.00 0.00 0.00 0.20 0.22 0.00 0.00 176.86 177.28 3dxu s GLY 278 N -2.84 1.38 0.25 2.98 0.00 -0.06 -4.16 107.32 104.88 3dxu s GLY 278 Ca 0.00 -1.86 -0.31 0.00 0.00 0.00 0.00 44.72 42.55 3dxu s GLY 278 CO 0.00 2.06 1.60 -1.72 0.00 0.00 0.00 173.10 175.04 3dxu n TYR 279 N 7.69 2.68 -4.06 1.90 4.02 -1.25 -4.58 117.16 123.56 3dxu n TYR 279 Ca -0.03 0.23 -0.08 0.00 -0.01 0.00 0.00 57.90 58.01 3dxu n TYR 279 Cb 0.45 -2.59 -0.10 0.00 -0.02 0.00 0.00 39.34 37.08 3dxu n TYR 279 CO 0.00 0.00 0.00 -3.38 -1.01 0.00 0.00 176.86 172.47 3dxu s HIS 280 N 0.34 0.45 0.18 -0.72 -3.43 -0.21 -1.38 115.29 110.51 3dxu s HIS 280 Ca 0.68 -0.90 -0.13 0.00 -0.80 0.00 0.00 55.06 53.92 3dxu s HIS 280 Cb -0.54 -0.33 0.01 0.00 -1.43 0.00 0.00 32.58 30.29 3dxu s HIS 280 CO 0.44 -0.31 0.39 0.00 -2.00 0.00 0.00 174.74 173.25 3dxu s ALA 281 N -3.14 -0.41 0.00 -1.38 0.00 -0.67 -2.02 121.76 114.13 3dxu s ALA 281 Ca -0.00 -0.59 0.00 0.00 0.00 0.00 0.00 51.96 51.37 3dxu s ALA 281 Cb 0.02 0.85 0.00 0.00 0.00 0.00 0.00 23.12 23.99 3dxu s ALA 281 CO -0.07 -0.71 0.00 0.41 0.00 0.00 0.00 175.76 175.38 3dxu n GLY 282 N -0.27 -1.17 3.28 0.00 0.00 -0.59 -0.17 105.19 106.27 3dxu n GLY 282 Ca -0.09 -0.96 -0.10 0.00 0.00 0.00 0.00 46.02 44.87 3dxu n GLY 282 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3dxu s PHE 283 N -2.28 -0.12 0.01 1.61 -0.12 -0.58 -0.95 117.98 115.55 3dxu s PHE 283 Ca 0.00 -0.16 -0.07 0.00 -0.05 0.00 0.00 56.93 56.64 3dxu s PHE 283 Cb 0.00 0.16 -0.05 0.00 -0.63 0.00 0.00 43.02 42.50 3dxu s PHE 283 CO 0.00 -0.62 0.28 -0.80 -0.05 0.00 0.00 175.22 174.03 3dxu s ASN 284 N -2.61 6.52 0.30 1.98 0.01 -0.42 -1.21 114.94 119.52 3dxu s ASN 284 Ca 0.01 0.60 0.25 0.00 -0.71 0.00 0.00 52.86 53.01 3dxu s ASN 284 Cb 0.02 -2.10 0.72 0.00 0.41 0.00 0.00 41.25 40.29 3dxu s ASN 284 CO -0.09 0.26 1.73 0.45 -1.51 0.00 0.00 177.10 177.94 3dxu h HIS 285 N 4.06 0.00 0.00 2.20 3.86 -1.14 -2.55 115.15 121.58 3dxu h HIS 285 Ca -0.50 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.71 3dxu h HIS 285 Cb 1.20 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.67 3dxu h HIS 285 CO 0.69 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.89 3dxu n GLY 286 N 1.06 -1.38 3.68 2.45 0.00 -1.26 -4.25 105.19 105.48 3dxu n GLY 286 Ca 0.05 -1.17 -0.47 0.00 0.00 0.00 0.00 46.02 44.43 3dxu n GLY 286 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3dxu n PHE 287 N 7.67 2.35 -4.02 1.61 7.35 -1.26 -3.73 117.46 127.44 3dxu n PHE 287 Ca 0.00 0.05 -0.10 0.00 -0.76 0.00 0.00 57.45 56.63 3dxu n PHE 287 Cb 0.00 -2.64 -0.05 0.00 0.35 0.00 0.00 39.48 37.14 3dxu n PHE 287 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 3dxu s ASN 288 N 2.97 0.12 -0.04 -2.13 6.03 -0.84 -0.85 114.94 120.19 3dxu s ASN 288 Ca 0.87 -1.08 0.00 0.00 -1.03 0.00 0.00 52.86 51.62 3dxu s ASN 288 Cb -0.65 0.60 0.03 0.00 -3.03 0.00 0.00 41.25 38.19 3dxu s ASN 288 CO 0.45 -1.17 -0.01 0.00 -2.03 0.00 0.00 177.10 174.34 3dxu s ALA 290 N 1.23 2.15 -0.02 0.00 0.00 -0.15 -0.34 121.76 124.63 3dxu s ALA 290 Ca -0.07 -1.54 0.05 0.00 0.00 0.00 0.00 51.96 50.41 3dxu s ALA 290 Cb -0.13 -0.22 -0.01 0.00 0.00 0.00 0.00 23.12 22.75 3dxu s ALA 290 CO -0.02 0.28 -0.18 -2.00 0.00 0.00 0.00 175.76 173.85 3dxu s GLU 291 N -2.79 1.50 0.03 0.00 2.12 0.76 -0.46 118.70 119.86 3dxu s GLU 291 Ca 0.17 -0.63 -0.10 0.00 0.36 0.00 0.00 54.97 54.77 3dxu s GLU 291 Cb -0.06 -1.42 0.01 0.00 0.26 0.00 0.00 34.13 32.91 3dxu s GLU 291 CO 0.08 0.36 0.21 0.00 -0.54 0.00 0.00 175.26 175.37 3dxu s ALA 292 N -0.34 -0.44 -0.06 6.30 0.00 -0.39 -0.41 121.76 126.42 3dxu s ALA 292 Ca 0.05 -0.17 -0.19 0.00 0.00 0.00 0.00 51.96 51.65 3dxu s ALA 292 Cb -0.08 0.24 0.04 0.00 0.00 0.00 0.00 23.12 23.33 3dxu s ALA 292 CO -0.00 -0.34 0.44 -1.50 0.00 0.00 0.00 175.76 174.36 3dxu s ILE 293 N -2.29 0.03 0.48 0.00 2.07 -0.96 -0.91 121.20 119.62 3dxu s ILE 293 Ca -0.07 -0.24 -0.19 0.00 -1.41 0.00 0.00 60.65 58.74 3dxu s ILE 293 Cb -0.02 -0.72 -0.09 0.00 0.13 0.00 0.00 42.46 41.76 3dxu s ILE 293 CO -0.02 -0.13 0.99 0.20 -1.91 0.00 0.00 174.94 174.07 3dxu s ASN 294 N -0.89 6.60 0.18 4.50 0.01 -1.26 -1.38 114.94 122.70 3dxu s ASN 294 Ca -0.09 1.73 -0.08 0.00 -0.71 0.00 0.00 52.86 53.70 3dxu s ASN 294 Cb -0.03 -2.54 -0.01 0.00 0.41 0.00 0.00 41.25 39.08 3dxu s ASN 294 CO 0.05 -0.60 0.27 0.72 -1.51 0.00 0.00 177.10 176.03 3dxu s PHE 295 N -2.28 0.52 0.16 2.20 -0.12 -0.87 -4.84 117.98 112.74 3dxu s PHE 295 Ca 0.63 -0.86 0.08 0.00 -0.05 0.00 0.00 56.93 56.72 3dxu s PHE 295 Cb -0.12 -0.11 -0.04 0.00 -0.63 0.00 0.00 43.02 42.12 3dxu s PHE 295 CO 0.22 -0.73 -0.16 0.00 -0.05 0.00 0.00 175.22 174.49 3dxu s ALA 296 N -4.00 1.85 0.34 1.99 0.00 -1.26 -1.57 121.76 119.11 3dxu s ALA 296 Ca 0.21 -1.45 0.03 0.00 0.00 0.00 0.00 51.96 50.75 3dxu s ALA 296 Cb 0.04 -0.13 -0.04 0.00 0.00 0.00 0.00 23.12 22.98 3dxu s ALA 296 CO 0.03 0.17 0.11 0.95 0.00 0.00 0.00 175.76 177.01 3dxu s THR 297 N -2.22 0.70 0.56 0.00 -4.23 -1.26 -4.99 115.64 104.20 3dxu s THR 297 Ca 0.15 -2.00 0.25 0.00 -1.18 0.00 0.00 61.69 58.91 3dxu s THR 297 Cb -0.05 -2.55 0.35 0.00 1.34 0.00 0.00 72.50 71.59 3dxu s THR 297 CO 0.05 0.00 2.12 -0.65 -0.54 0.00 0.00 174.62 175.61 3dxu h PRO 298 N 2.05 0.00 -0.07 3.99 0.11 -2.02 -2.43 132.00 133.63 3dxu h PRO 298 Ca -0.37 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.64 3dxu h PRO 298 Cb 1.26 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 3dxu h PRO 298 CO 0.60 0.00 -0.40 -0.09 -0.21 0.00 0.00 178.00 177.90 3dxu h ARG 299 N 0.00 0.16 -0.19 1.05 2.43 -2.04 -2.86 114.38 112.93 3dxu h ARG 299 Ca 0.08 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.16 3dxu h ARG 299 Cb 0.38 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 3dxu h ARG 299 CO -0.00 0.54 0.03 2.35 -1.51 0.00 0.00 179.97 181.38 3dxu h TRP 300 N 0.14 0.26 -0.74 2.20 7.01 -1.83 -3.32 115.95 119.67 3dxu h TRP 300 Ca 0.01 -0.01 0.16 0.00 2.11 0.00 0.00 58.89 61.17 3dxu h TRP 300 Cb 0.78 -0.08 -0.13 0.00 -2.10 0.00 0.00 29.16 27.62 3dxu h TRP 300 CO 0.01 0.26 -0.01 0.82 -2.79 0.00 0.00 178.44 176.73 3dxu h ILE 301 N 0.27 0.35 -0.24 2.65 1.08 -1.60 0.11 117.51 120.12 3dxu h ILE 301 Ca 0.07 -0.03 -0.08 0.00 -0.39 0.00 0.00 64.86 64.42 3dxu h ILE 301 Cb 0.14 0.25 -0.01 0.00 -3.07 0.00 0.00 36.82 34.12 3dxu h ILE 301 CO -0.00 0.02 -0.21 0.44 -0.69 0.00 0.00 178.15 177.70 3dxu h ASP 302 N 0.10 0.44 -0.32 1.72 3.32 -1.81 -2.12 116.42 117.74 3dxu h ASP 302 Ca 0.40 -0.13 -0.05 0.00 0.02 0.00 0.00 57.03 57.26 3dxu h ASP 302 Cb 0.69 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.11 3dxu h ASP 302 CO -0.65 0.66 -0.01 1.88 -1.72 0.00 0.00 179.24 179.40 3dxu h TYR 303 N 0.40 0.63 -0.94 4.55 -1.99 -1.07 -3.16 116.97 115.39 3dxu h TYR 303 Ca 0.06 -0.11 0.14 0.00 2.00 0.00 0.00 58.73 60.82 3dxu h TYR 303 Cb 0.60 -0.16 -0.08 0.00 2.00 0.00 0.00 36.73 39.09 3dxu h TYR 303 CO 0.02 0.71 0.60 0.78 -0.00 0.00 0.00 178.16 180.26 3dxu h GLY 304 N 0.37 1.41 2.00 3.88 0.00 -0.60 -1.91 103.07 108.22 3dxu h GLY 304 Ca 0.09 -0.35 -0.05 0.00 0.00 0.00 0.00 47.33 47.01 3dxu h GLY 304 CO 0.02 0.11 -0.26 0.50 0.00 0.00 0.00 176.54 176.91 3dxu h LYS 305 N 0.82 0.00 -0.20 4.80 1.57 -1.37 -3.14 116.57 119.04 3dxu h LYS 305 Ca 0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.25 3dxu h LYS 305 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.94 3dxu h LYS 305 CO -0.24 0.26 0.00 -1.33 -0.57 0.00 0.00 179.45 177.57 3dxu n MET 306 N -3.81 2.10 -2.19 3.15 2.81 -0.91 -4.81 117.12 113.46 3dxu n MET 306 Ca -0.01 -1.94 -0.41 0.00 -1.81 0.00 0.00 57.70 53.52 3dxu n MET 306 Cb 0.35 -1.42 -0.03 0.00 -0.71 0.00 0.00 33.22 31.42 3dxu n MET 306 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3dxu s ALA 307 N -1.49 3.54 0.70 3.04 0.00 -0.77 -4.99 121.76 121.80 3dxu s ALA 307 Ca 0.29 1.14 -0.14 0.00 0.00 0.00 0.00 51.96 53.25 3dxu s ALA 307 Cb 0.18 -3.49 0.02 0.00 0.00 0.00 0.00 23.12 19.84 3dxu s ALA 307 CO 0.26 -0.56 1.13 -1.12 0.00 0.00 0.00 175.76 175.47 3dxu s SER 308 N 0.33 4.72 -0.03 0.00 0.01 -1.26 -5.02 113.70 112.45 3dxu s SER 308 Ca 0.57 2.06 0.03 0.00 1.31 0.00 0.00 55.95 59.92 3dxu s SER 308 Cb -0.37 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.30 3dxu s SER 308 CO 0.39 -1.90 -0.11 -1.10 0.41 0.00 0.00 173.24 170.93 3dxu s GLN 309 N -4.20 1.16 -0.04 12.44 -1.52 -1.26 -4.81 119.66 121.42 3dxu s GLN 309 Ca 0.68 -0.39 -0.30 0.00 -1.95 0.00 0.00 55.36 53.40 3dxu s GLN 309 Cb -0.22 -1.06 -0.04 0.00 -0.22 0.00 0.00 33.01 31.47 3dxu s GLN 309 CO 0.45 0.16 1.21 0.00 -0.25 0.00 0.00 175.29 176.86 3dxu n SER 311 N 5.12 2.00 -0.38 0.00 7.64 -1.26 -4.74 113.62 121.98 3dxu n SER 311 Ca 0.11 -2.29 0.36 0.00 1.01 0.00 0.00 58.87 58.06 3dxu n SER 311 Cb 0.46 -0.13 0.72 0.00 -1.01 0.00 0.00 64.21 64.25 3dxu n SER 311 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3dxu n GLY 313 N -1.73 2.30 0.17 0.00 0.00 -1.25 -4.98 105.19 99.70 3dxu n GLY 313 Ca 0.29 -0.65 0.03 0.00 0.00 0.00 0.00 46.02 45.69 3dxu n GLY 313 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3dxu n GLU 314 N 0.00 -0.04 0.15 1.61 4.07 -1.26 -1.69 120.64 123.48 3dxu n GLU 314 Ca 0.00 0.74 0.04 0.00 -0.06 0.00 0.00 57.16 57.88 3dxu n GLU 314 Cb 0.00 -1.11 0.45 0.00 -0.06 0.00 0.00 31.44 30.72 3dxu n GLU 314 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3dxu h ALA 315 N 0.95 1.63 -3.88 4.31 0.00 -1.90 -3.48 119.26 116.89 3dxu h ALA 315 Ca 0.24 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3dxu h ALA 315 Cb 0.38 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3dxu h ALA 315 CO -0.48 0.28 -0.54 0.54 0.00 0.00 0.00 179.25 179.04 3dxu n ARG 316 N -4.33 -0.24 0.00 0.00 1.74 -0.68 -4.96 116.66 108.19 3dxu n ARG 316 Ca -0.01 0.44 0.00 0.00 -0.77 0.00 0.00 57.85 57.51 3dxu n ARG 316 Cb 0.22 -0.57 0.00 0.00 -1.02 0.00 0.00 32.46 31.09 3dxu n ARG 316 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3dxu n VAL 317 N 0.79 0.00 -4.31 1.55 0.31 -1.26 -5.10 118.33 110.30 3dxu n VAL 317 Ca -0.01 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 64.07 3dxu n VAL 317 Cb 0.27 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 33.11 3dxu n VAL 317 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 3dxu s THR 318 N 2.29 3.15 0.23 2.52 -1.32 -1.26 -5.02 115.64 116.23 3dxu s THR 318 Ca 0.00 -1.81 -0.07 0.00 -1.21 0.00 0.00 61.69 58.61 3dxu s THR 318 Cb 0.00 -2.60 0.18 0.00 -1.51 0.00 0.00 72.50 68.57 3dxu s THR 318 CO 0.00 -0.20 1.76 -0.26 -2.21 0.00 0.00 174.62 173.71 3dxu h PHE 319 N 2.62 0.59 -0.03 9.09 -1.00 -2.01 -1.93 116.94 124.27 3dxu h PHE 319 Ca -0.45 0.03 0.01 0.00 2.81 0.00 0.00 57.97 60.36 3dxu h PHE 319 Cb 1.22 -0.16 -0.00 0.00 3.61 0.00 0.00 35.95 40.62 3dxu h PHE 319 CO 0.67 0.18 0.09 0.77 -1.61 0.00 0.00 178.31 178.41 3dxu h SER 320 N 0.55 0.00 1.85 2.17 0.02 -1.94 -1.83 113.55 114.38 3dxu h SER 320 Ca 0.36 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.31 3dxu h SER 320 Cb 0.43 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.97 3dxu h SER 320 CO -0.30 0.00 -0.01 -0.03 -1.14 0.00 0.00 176.83 175.35 3dxu h MET 321 N 0.00 0.00 -0.16 3.45 -1.53 -1.75 -3.34 114.93 111.60 3dxu h MET 321 Ca 0.01 0.00 0.04 0.00 -3.44 0.00 0.00 59.70 56.32 3dxu h MET 321 Cb 0.19 0.00 -0.05 0.00 -0.55 0.00 0.00 31.60 31.19 3dxu h MET 321 CO -0.00 0.01 -0.13 0.22 0.14 0.00 0.00 176.91 177.14 3dxu h ASP 322 N 0.00 -0.42 0.28 1.39 3.58 -1.45 -1.16 116.42 118.64 3dxu h ASP 322 Ca -0.00 0.09 -0.06 0.00 0.42 0.00 0.00 57.03 57.48 3dxu h ASP 322 Cb 0.94 0.21 -0.01 0.00 1.72 0.00 0.00 39.33 42.19 3dxu h ASP 322 CO 0.00 -0.17 -0.27 0.00 -2.88 0.00 0.00 179.24 175.92 3dxu h ALA 323 N 0.96 1.53 -0.31 -0.78 0.00 -1.76 0.58 119.26 119.49 3dxu h ALA 323 Ca 0.10 -0.25 -0.15 0.00 0.00 0.00 0.00 54.91 54.62 3dxu h ALA 323 Cb 0.29 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3dxu h ALA 323 CO -0.25 0.34 -0.40 0.74 0.00 0.00 0.00 179.25 179.68 3dxu h PHE 324 N 0.00 0.89 -0.19 0.00 0.04 -1.40 -1.15 116.94 115.14 3dxu h PHE 324 Ca -0.00 -0.26 -0.17 0.00 2.80 0.00 0.00 57.97 60.33 3dxu h PHE 324 Cb 0.49 -0.19 0.00 0.00 2.20 0.00 0.00 35.95 38.45 3dxu h PHE 324 CO 0.00 1.02 -0.55 0.28 -0.60 0.00 0.00 178.31 178.47 3dxu h VAL 325 N 0.61 1.31 -0.25 -0.55 2.07 -0.96 -1.28 116.25 117.20 3dxu h VAL 325 Ca 0.05 -1.78 0.04 0.00 0.82 0.00 0.00 66.70 65.84 3dxu h VAL 325 Cb 0.95 1.91 -0.04 0.00 -1.52 0.00 0.00 31.29 32.60 3dxu h VAL 325 CO 0.09 0.56 -0.00 -0.09 0.02 0.00 0.00 177.57 178.14 3dxu h ARG 326 N 0.40 0.07 0.14 1.57 2.43 -0.70 0.15 114.38 118.45 3dxu h ARG 326 Ca -0.02 -0.00 -0.30 0.00 -0.81 0.00 0.00 59.98 58.85 3dxu h ARG 326 Cb 1.17 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.70 3dxu h ARG 326 CO 0.12 0.05 -1.53 0.82 -1.51 0.00 0.00 179.97 177.92 3dxu h ILE 327 N 0.08 1.00 0.00 1.20 1.08 -1.25 -3.29 117.51 116.33 3dxu h ILE 327 Ca 0.12 -2.44 -0.09 0.00 -0.39 0.00 0.00 64.86 62.06 3dxu h ILE 327 Cb 0.15 2.74 -0.01 0.00 -3.07 0.00 0.00 36.82 36.63 3dxu h ILE 327 CO -0.20 0.76 -0.92 -0.07 -0.69 0.00 0.00 178.15 177.04 3dxu h LEU 328 N -0.15 0.00 -5.79 1.44 3.38 -1.24 -3.39 115.31 109.56 3dxu h LEU 328 Ca -0.32 0.00 -0.45 0.00 0.09 0.00 0.00 57.88 57.20 3dxu h LEU 328 Cb 1.88 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 42.24 3dxu h LEU 328 CO 0.10 0.34 -1.18 0.00 0.09 0.00 0.00 178.44 177.80 3dxu n GLN 329 N -2.94 1.00 -0.02 1.13 6.02 0.53 -4.66 117.38 118.45 3dxu n GLN 329 Ca -0.03 -3.32 0.11 0.00 -0.01 0.00 0.00 57.00 53.75 3dxu n GLN 329 Cb 0.70 -1.60 0.52 0.00 1.02 0.00 0.00 30.24 30.88 3dxu n GLN 329 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 3dxu h PRO 330 N 3.00 0.35 -0.93 -1.09 0.13 -1.61 -0.80 132.00 131.04 3dxu h PRO 330 Ca 0.06 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 65.16 3dxu h PRO 330 Cb 1.01 -0.08 -0.04 0.00 0.13 0.00 0.00 31.00 32.02 3dxu h PRO 330 CO 0.49 0.23 0.56 1.49 -0.23 0.00 0.00 178.00 180.54 3dxu h GLU 331 N 0.36 1.26 -0.00 0.86 4.22 -1.90 -2.99 114.58 116.38 3dxu h GLU 331 Ca 0.22 -0.12 0.00 0.00 0.08 0.00 0.00 59.36 59.54 3dxu h GLU 331 Cb 0.39 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.38 3dxu h GLU 331 CO -0.05 0.89 -0.10 0.54 -2.18 0.00 0.00 179.01 178.11 3dxu n ARG 332 N -4.37 0.78 -0.03 1.92 1.74 -0.33 -4.45 116.66 111.92 3dxu n ARG 332 Ca 0.10 -0.27 -0.14 0.00 -0.77 0.00 0.00 57.85 56.78 3dxu n ARG 332 Cb 0.06 -1.49 -0.10 0.00 -1.02 0.00 0.00 32.46 29.91 3dxu n ARG 332 CO 0.00 0.00 0.00 -0.92 -1.52 0.00 0.00 177.63 175.19 3dxu h TYR 333 N 0.66 0.18 0.30 -1.55 3.20 -1.34 -1.88 116.97 116.53 3dxu h TYR 333 Ca 0.00 -0.07 -0.00 0.00 3.14 0.00 0.00 58.73 61.80 3dxu h TYR 333 Cb 0.34 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.56 3dxu h TYR 333 CO 0.00 0.72 -0.29 -0.44 -1.64 0.00 0.00 178.16 176.51 3dxu h ASP 334 N -0.41 -0.77 -0.73 -2.11 3.45 -1.78 0.17 116.42 114.24 3dxu h ASP 334 Ca -0.00 0.07 0.08 0.00 0.43 0.00 0.00 57.03 57.60 3dxu h ASP 334 Cb 0.71 0.26 -0.07 0.00 -0.56 0.00 0.00 39.33 39.68 3dxu h ASP 334 CO 0.02 -0.42 0.40 0.25 -1.57 0.00 0.00 179.24 177.93 3dxu h LEU 335 N -0.62 0.57 0.03 1.55 5.85 -1.86 -1.77 115.31 119.06 3dxu h LEU 335 Ca -0.02 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.76 3dxu h LEU 335 Cb 0.56 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 3dxu h LEU 335 CO -0.05 0.34 -0.12 -0.25 -0.34 0.00 0.00 178.44 178.03 3dxu h TRP 336 N 0.70 -0.29 -0.66 1.25 7.01 -1.02 -2.44 115.95 120.49 3dxu h TRP 336 Ca 0.34 0.01 0.07 0.00 2.11 0.00 0.00 58.89 61.42 3dxu h TRP 336 Cb 0.29 0.13 -0.04 0.00 -2.10 0.00 0.00 29.16 27.44 3dxu h TRP 336 CO -0.08 -0.18 0.44 0.87 -2.79 0.00 0.00 178.44 176.70 3dxu h LYS 337 N -0.21 0.63 0.00 2.65 1.79 -0.27 -0.66 116.57 120.49 3dxu h LYS 337 Ca 0.03 -0.04 -0.11 0.00 -2.18 0.00 0.00 60.65 58.36 3dxu h LYS 337 Cb 0.25 -0.14 -0.02 0.00 -1.58 0.00 0.00 32.23 30.74 3dxu h LYS 337 CO -0.09 0.42 -0.50 0.07 -1.08 0.00 0.00 179.45 178.26 3dxu h ARG 338 N 0.65 0.00 0.00 3.15 0.11 -1.24 -2.97 114.38 114.08 3dxu h ARG 338 Ca 0.29 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 60.28 3dxu h ARG 338 Cb 0.30 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.36 3dxu h ARG 338 CO -0.09 0.50 -0.44 0.78 0.10 0.00 0.00 179.97 180.82 3dxu h GLY 339 N 3.13 0.00 1.85 0.08 0.00 -0.65 -2.70 103.07 104.78 3dxu h GLY 339 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 3dxu h GLY 339 CO 0.07 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.55 3dxu n GLN 340 N -3.86 0.05 0.00 4.80 1.13 -0.69 -3.85 117.38 114.95 3dxu n GLN 340 Ca -0.01 0.30 0.00 0.00 -1.94 0.00 0.00 57.00 55.34 3dxu n GLN 340 Cb 0.49 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.34 3dxu n GLN 340 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37