#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fdu s HIS 10 N 0.00 -0.46 -1.19 1.96 3.76 -1.26 -5.02 115.29 113.08 3fdu s HIS 10 Ca 0.00 0.26 0.06 0.00 -0.15 0.00 0.00 55.06 55.23 3fdu s HIS 10 Cb 0.00 -0.30 0.28 0.00 1.11 0.00 0.00 32.58 33.67 3fdu s HIS 10 CO 0.00 -0.72 1.13 -0.35 -0.85 0.00 0.00 174.74 173.95 3fdu n PRO 11 N 5.33 0.04 0.00 8.40 -0.04 -1.26 -1.99 135.00 145.48 3fdu n PRO 11 Ca -0.04 0.32 0.14 0.00 -0.04 0.00 0.00 63.50 63.89 3fdu n PRO 11 Cb 0.49 -1.50 0.67 0.00 -0.04 0.00 0.00 33.50 33.12 3fdu n PRO 11 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3fdu n HIS 12 N -1.41 0.00 -3.65 0.54 8.25 -1.26 -4.60 115.22 113.09 3fdu n HIS 12 Ca 0.02 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.20 3fdu n HIS 12 Cb 0.06 -0.29 -0.16 0.00 1.12 0.00 0.00 29.99 30.73 3fdu n HIS 12 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3fdu s LEU 13 N -2.63 1.13 -0.05 2.41 2.96 -0.84 0.97 118.68 122.63 3fdu s LEU 13 Ca 0.26 -1.18 -0.30 0.00 -0.22 0.00 0.00 54.13 52.68 3fdu s LEU 13 Cb 0.20 -0.53 -0.02 0.00 0.50 0.00 0.00 46.19 46.33 3fdu s LEU 13 CO 0.49 -0.39 1.03 0.20 -1.32 0.00 0.00 176.35 176.36 3fdu s ASN 14 N 1.92 7.26 0.03 3.68 0.02 0.09 -4.79 114.94 123.15 3fdu s ASN 14 Ca 0.06 1.65 0.09 0.00 -1.02 0.00 0.00 52.86 53.64 3fdu s ASN 14 Cb -0.17 -2.56 -0.03 0.00 0.02 0.00 0.00 41.25 38.51 3fdu s ASN 14 CO -0.23 -0.39 -0.26 0.00 0.02 0.00 0.00 177.10 176.24 3fdu s ALA 15 N 1.57 2.22 -0.24 0.60 0.00 -1.26 0.29 121.76 124.94 3fdu s ALA 15 Ca 0.51 -1.23 -0.13 0.00 0.00 0.00 0.00 51.96 51.11 3fdu s ALA 15 Cb -0.21 -0.49 0.08 0.00 0.00 0.00 0.00 23.12 22.50 3fdu s ALA 15 CO 0.23 0.53 0.58 1.21 0.00 0.00 0.00 175.76 178.31 3fdu s ASN 16 N -1.09 -0.79 -0.27 0.00 3.04 -0.64 -4.98 114.94 110.20 3fdu s ASN 16 Ca 0.11 1.29 -0.03 0.00 0.04 0.00 0.00 52.86 54.27 3fdu s ASN 16 Cb -0.10 1.23 0.02 0.00 -1.54 0.00 0.00 41.25 40.87 3fdu s ASN 16 CO 0.01 -0.22 -0.02 -0.22 -3.04 0.00 0.00 177.10 173.61 3fdu s LEU 17 N 1.67 3.45 -0.02 3.21 2.96 -1.26 -0.02 118.68 128.67 3fdu s LEU 17 Ca -0.09 -0.88 0.00 0.00 -0.22 0.00 0.00 54.13 52.94 3fdu s LEU 17 Cb -0.07 -1.73 0.02 0.00 0.50 0.00 0.00 46.19 44.92 3fdu s LEU 17 CO -0.17 -0.16 0.02 -1.61 -1.32 0.00 0.00 176.35 173.11 3fdu s GLU 18 N 1.36 -0.03 -1.45 1.98 8.01 -0.65 -4.89 118.70 123.04 3fdu s GLU 18 Ca 0.00 0.15 -0.13 0.00 0.01 0.00 0.00 54.97 55.00 3fdu s GLU 18 Cb -0.17 -0.20 0.10 0.00 -4.31 0.00 0.00 34.13 29.55 3fdu s GLU 18 CO -0.02 -0.13 0.68 0.41 0.01 0.00 0.00 175.26 176.20 3fdu n GLY 19 N 3.95 -0.48 1.78 -1.39 0.00 -1.26 -1.47 105.19 106.32 3fdu n GLY 19 Ca -0.25 0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.90 3fdu n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fdu n GLY 20 N -1.35 1.92 3.52 -0.02 0.00 -1.26 -4.95 105.19 103.05 3fdu n GLY 20 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 3fdu n GLY 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fdu s VAL 21 N -2.47 5.12 -0.23 1.61 1.01 -0.54 -0.37 120.40 124.53 3fdu s VAL 21 Ca 0.00 -0.21 -0.17 0.00 0.00 0.00 0.00 61.98 61.60 3fdu s VAL 21 Cb 0.00 -3.60 -0.03 0.00 0.00 0.00 0.00 36.38 32.75 3fdu s VAL 21 CO 0.00 0.05 0.45 -0.22 0.00 0.00 0.00 175.10 175.37 3fdu s LEU 22 N 1.70 4.11 -0.27 3.92 2.96 -0.24 -1.64 118.68 129.22 3fdu s LEU 22 Ca 0.06 0.51 -0.07 0.00 -0.22 0.00 0.00 54.13 54.41 3fdu s LEU 22 Cb -0.17 -2.58 -0.01 0.00 0.50 0.00 0.00 46.19 43.93 3fdu s LEU 22 CO 0.10 -0.17 0.07 -0.89 -1.32 0.00 0.00 176.35 174.14 3fdu s THR 23 N 1.76 4.15 -0.25 3.68 2.01 0.97 -0.82 115.64 127.13 3fdu s THR 23 Ca 0.20 -0.38 -0.06 0.00 0.31 0.00 0.00 61.69 61.75 3fdu s THR 23 Cb -0.15 -3.01 -0.02 0.00 0.01 0.00 0.00 72.50 69.33 3fdu s THR 23 CO 0.09 0.24 0.04 -0.76 -0.69 0.00 0.00 174.62 173.54 3fdu s LEU 24 N 1.57 3.33 -0.18 4.42 1.43 0.12 -1.63 118.68 127.75 3fdu s LEU 24 Ca 0.05 -0.31 0.01 0.00 -1.03 0.00 0.00 54.13 52.85 3fdu s LEU 24 Cb -0.16 -1.87 0.04 0.00 0.03 0.00 0.00 46.19 44.23 3fdu s LEU 24 CO 0.03 -0.05 -0.11 0.00 0.23 0.00 0.00 176.35 176.46 3fdu s ALA 25 N 1.57 1.91 0.07 4.21 0.00 0.14 -1.31 121.76 128.35 3fdu s ALA 25 Ca 0.06 -1.09 -0.31 0.00 0.00 0.00 0.00 51.96 50.62 3fdu s ALA 25 Cb -0.15 -1.21 -0.07 0.00 0.00 0.00 0.00 23.12 21.69 3fdu s ALA 25 CO 0.02 -0.72 1.44 0.42 0.00 0.00 0.00 175.76 176.92 3fdu s ILE 26 N 1.44 3.39 -0.52 0.00 1.01 -0.31 -0.73 121.20 125.49 3fdu s ILE 26 Ca 0.00 0.91 0.05 0.00 0.00 0.00 0.00 60.65 61.61 3fdu s ILE 26 Cb -0.15 -3.58 0.18 0.00 0.01 0.00 0.00 42.46 38.92 3fdu s ILE 26 CO -0.09 0.03 0.44 -3.20 0.00 0.00 0.00 174.94 172.12 3fdu n ASN 27 N 4.74 0.96 -2.88 3.58 5.15 0.27 -0.77 115.26 126.33 3fdu n ASN 27 Ca 0.13 -2.74 -0.13 0.00 -0.60 0.00 0.00 54.58 51.24 3fdu n ASN 27 Cb 0.42 -0.63 0.01 0.00 -0.53 0.00 0.00 39.78 39.05 3fdu n ASN 27 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 3fdu n ARG 28 N 2.27 1.07 0.14 1.20 0.63 -1.26 -4.19 116.66 116.52 3fdu n ARG 28 Ca 0.26 -3.25 0.11 0.00 -0.92 0.00 0.00 57.85 54.04 3fdu n ARG 28 Cb 0.44 -1.40 0.52 0.00 0.45 0.00 0.00 32.46 32.47 3fdu n ARG 28 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 3fdu n PRO 29 N 0.07 0.15 0.04 -0.14 -0.04 -1.26 -1.70 135.00 132.12 3fdu n PRO 29 Ca 0.15 0.54 -0.01 0.00 -0.04 0.00 0.00 63.50 64.14 3fdu n PRO 29 Cb 0.75 -1.90 0.26 0.00 -0.04 0.00 0.00 33.50 32.58 3fdu n PRO 29 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3fdu h GLU 30 N 0.00 0.42 -0.05 0.54 3.07 -2.01 -2.95 114.58 113.59 3fdu h GLU 30 Ca 0.00 -0.13 -0.02 0.00 -0.50 0.00 0.00 59.36 58.71 3fdu h GLU 30 Cb 0.15 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.02 3fdu h GLU 30 CO 0.00 0.59 -0.18 0.00 -1.40 0.00 0.00 179.01 178.03 3fdu n ALA 31 N -2.48 2.98 -3.81 3.43 0.00 -0.69 -4.97 120.51 114.97 3fdu n ALA 31 Ca -0.00 -2.87 -0.27 0.00 0.00 0.00 0.00 53.44 50.30 3fdu n ALA 31 Cb 0.35 -0.43 0.04 0.00 0.00 0.00 0.00 19.45 19.40 3fdu n ALA 31 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3fdu n LYS 32 N -1.22 -5.72 -2.00 0.00 5.02 -1.10 -0.99 118.16 112.15 3fdu n LYS 32 Ca 0.19 0.64 -0.16 0.00 -2.02 0.00 0.00 58.31 56.96 3fdu n LYS 32 Cb 0.71 -5.47 -0.03 0.00 -0.02 0.00 0.00 35.03 30.22 3fdu n LYS 32 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3fdu n ASN 33 N -2.92 -4.51 -4.71 4.39 3.02 -0.70 -1.53 115.26 108.29 3fdu n ASN 33 Ca -0.06 0.23 -0.40 0.00 -0.03 0.00 0.00 54.58 54.32 3fdu n ASN 33 Cb 0.57 -3.92 0.02 0.00 -0.61 0.00 0.00 39.78 35.84 3fdu n ASN 33 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3fdu n ALA 34 N -0.83 1.39 -2.67 5.41 0.00 -0.16 -3.75 120.51 119.90 3fdu n ALA 34 Ca -0.18 0.22 -0.33 0.00 0.00 0.00 0.00 53.44 53.15 3fdu n ALA 34 Cb 0.59 -2.29 -0.09 0.00 0.00 0.00 0.00 19.45 17.66 3fdu n ALA 34 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3fdu s LEU 35 N -2.19 3.49 0.19 0.00 1.43 0.69 -4.76 118.68 117.54 3fdu s LEU 35 Ca 0.64 0.03 0.07 0.00 -1.03 0.00 0.00 54.13 53.85 3fdu s LEU 35 Cb -0.47 -1.92 -0.05 0.00 0.03 0.00 0.00 46.19 43.78 3fdu s LEU 35 CO 0.55 0.32 -0.14 -0.72 0.23 0.00 0.00 176.35 176.59 3fdu s TYR 36 N -1.00 1.66 0.01 0.29 -0.85 -1.26 0.18 117.35 116.38 3fdu s TYR 36 Ca 0.17 -0.58 -0.03 0.00 -0.52 0.00 0.00 57.07 56.11 3fdu s TYR 36 Cb -0.11 -0.78 -0.01 0.00 0.38 0.00 0.00 41.96 41.44 3fdu s TYR 36 CO 0.07 0.32 0.45 0.41 -1.52 0.00 0.00 175.55 175.28 3fdu n GLY 37 N -0.29 -1.21 0.23 5.49 0.00 -1.26 -0.91 105.19 107.24 3fdu n GLY 37 Ca -0.09 0.29 0.09 0.00 0.00 0.00 0.00 46.02 46.31 3fdu n GLY 37 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3fdu h GLU 38 N 0.00 0.00 -0.14 1.61 4.39 -1.99 -2.01 114.58 116.45 3fdu h GLU 38 Ca 0.01 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.58 3fdu h GLU 38 Cb 0.04 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 3fdu h GLU 38 CO -0.08 0.22 -0.45 1.25 -1.16 0.00 0.00 179.01 178.79 3fdu h LEU 39 N 0.00 0.63 -0.75 1.33 5.85 -1.44 -1.14 115.31 119.79 3fdu h LEU 39 Ca -0.00 -0.61 0.17 0.00 0.84 0.00 0.00 57.88 58.28 3fdu h LEU 39 Cb 0.51 -0.18 -0.12 0.00 0.37 0.00 0.00 40.66 41.24 3fdu h LEU 39 CO 0.03 1.13 0.14 1.88 -0.34 0.00 0.00 178.44 181.28 3fdu h TYR 40 N 0.17 0.20 -0.00 1.25 0.05 -0.88 -2.15 116.97 115.60 3fdu h TYR 40 Ca -0.02 0.05 -0.11 0.00 0.05 0.00 0.00 58.73 58.69 3fdu h TYR 40 Cb 1.08 0.03 -0.02 0.00 1.01 0.00 0.00 36.73 38.83 3fdu h TYR 40 CO 0.10 -0.13 -0.54 -0.07 -1.05 0.00 0.00 178.16 176.47 3fdu h LEU 41 N 0.22 0.01 -0.17 3.88 3.38 -0.96 -1.72 115.31 119.94 3fdu h LEU 41 Ca 0.42 -0.01 -0.23 0.00 0.09 0.00 0.00 57.88 58.16 3fdu h LEU 41 Cb 0.74 -0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.49 3fdu h LEU 41 CO -0.56 0.55 -0.91 -0.50 0.09 0.00 0.00 178.44 177.11 3fdu h TRP 42 N 0.01 0.74 -0.30 1.13 6.55 -0.64 -1.59 115.95 121.85 3fdu h TRP 42 Ca -0.00 -0.38 -0.04 0.00 0.95 0.00 0.00 58.89 59.42 3fdu h TRP 42 Cb 0.96 -0.09 -0.01 0.00 -0.86 0.00 0.00 29.16 29.15 3fdu h TRP 42 CO 0.00 1.20 0.05 0.82 -1.05 0.00 0.00 178.44 179.46 3fdu h ILE 43 N 0.31 1.23 -0.47 1.49 2.04 -1.28 0.71 117.51 121.54 3fdu h ILE 43 Ca -0.08 -0.80 0.08 0.00 1.00 0.00 0.00 64.86 65.06 3fdu h ILE 43 Cb 1.54 1.18 -0.06 0.00 -0.74 0.00 0.00 36.82 38.73 3fdu h ILE 43 CO 0.17 0.26 0.09 0.00 0.00 0.00 0.00 178.15 178.67 3fdu h ALA 44 N 0.88 0.52 -0.55 1.87 0.00 -1.28 -0.42 119.26 120.28 3fdu h ALA 44 Ca 0.09 0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 3fdu h ALA 44 Cb 0.34 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3fdu h ALA 44 CO 0.01 -0.31 -0.10 1.57 0.00 0.00 0.00 179.25 180.42 3fdu h LYS 45 N 0.23 1.03 -0.86 0.00 -0.00 -1.13 0.86 116.57 116.71 3fdu h LYS 45 Ca 0.23 -0.38 -0.02 0.00 -0.00 0.00 0.00 60.65 60.49 3fdu h LYS 45 Cb 0.30 -0.07 -0.04 0.00 -0.00 0.00 0.00 32.23 32.42 3fdu h LYS 45 CO -0.30 1.07 0.47 0.00 -0.00 0.00 0.00 179.45 180.68 3fdu h ALA 46 N 0.95 1.20 -0.43 0.07 0.00 -0.30 -1.38 119.26 119.37 3fdu h ALA 46 Ca 0.14 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 3fdu h ALA 46 Cb 0.67 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3fdu h ALA 46 CO 0.05 0.64 -0.03 -0.07 0.00 0.00 0.00 179.25 179.84 3fdu h LEU 47 N 1.21 0.77 -0.82 0.00 3.38 -0.80 -0.33 115.31 118.72 3fdu h LEU 47 Ca 0.30 -0.33 0.08 0.00 0.09 0.00 0.00 57.88 58.02 3fdu h LEU 47 Cb 0.04 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 40.51 3fdu h LEU 47 CO -0.05 0.92 0.48 0.44 0.09 0.00 0.00 178.44 180.32 3fdu h ASP 48 N 0.62 0.72 0.95 -0.43 3.32 -0.50 -2.46 116.42 118.63 3fdu h ASP 48 Ca 0.12 0.03 -0.22 0.00 0.02 0.00 0.00 57.03 56.98 3fdu h ASP 48 Cb 0.54 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.95 3fdu h ASP 48 CO 0.03 0.44 -1.04 -0.33 -1.72 0.00 0.00 179.24 176.62 3fdu h GLU 49 N 0.85 0.04 -0.60 3.56 5.08 -1.20 -3.16 114.58 119.14 3fdu h GLU 49 Ca 0.37 -0.06 0.08 0.00 -1.00 0.00 0.00 59.36 58.75 3fdu h GLU 49 Cb 0.26 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.47 3fdu h GLU 49 CO -0.21 1.03 0.27 0.00 -1.00 0.00 0.00 179.01 179.10 3fdu h ALA 50 N 0.94 0.79 -0.04 3.43 0.00 -0.65 -1.25 119.26 122.48 3fdu h ALA 50 Ca -0.03 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3fdu h ALA 50 Cb 1.80 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.57 3fdu h ALA 50 CO 0.14 -0.12 -0.13 0.22 0.00 0.00 0.00 179.25 179.35 3fdu h ASP 51 N 0.49 0.06 0.66 0.00 3.58 -1.42 -1.64 116.42 118.14 3fdu h ASP 51 Ca 0.29 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.73 3fdu h ASP 51 Cb 0.29 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.33 3fdu h ASP 51 CO -0.25 0.21 -0.36 0.00 -2.88 0.00 0.00 179.24 175.96 3fdu n GLN 52 N -4.34 0.01 -3.18 0.28 1.13 -0.65 -4.79 117.38 105.83 3fdu n GLN 52 Ca -0.02 0.00 -0.44 0.00 -1.94 0.00 0.00 57.00 54.60 3fdu n GLN 52 Cb 0.22 -1.51 -0.06 0.00 0.11 0.00 0.00 30.24 29.01 3fdu n GLN 52 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 3fdu s ASN 53 N -3.04 6.20 0.59 1.08 3.84 -0.56 -4.93 114.94 118.12 3fdu s ASN 53 Ca 0.12 -1.10 0.30 0.00 0.21 0.00 0.00 52.86 52.38 3fdu s ASN 53 Cb 0.18 -2.28 1.63 0.00 -0.55 0.00 0.00 41.25 40.23 3fdu s ASN 53 CO 0.65 -0.90 1.90 0.07 -2.79 0.00 0.00 177.10 176.03 3fdu h LYS 54 N 9.00 0.00 0.00 0.43 5.09 -1.86 0.57 116.57 129.79 3fdu h LYS 54 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.46 3fdu h LYS 54 Cb 1.10 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.43 3fdu h LYS 54 CO 0.98 0.00 -0.03 -0.25 -2.09 0.00 0.00 179.45 178.06 3fdu n ASP 55 N -2.76 0.68 -4.63 7.07 8.00 -1.26 -4.72 116.55 118.93 3fdu n ASP 55 Ca -0.02 0.54 -0.38 0.00 0.71 0.00 0.00 54.79 55.64 3fdu n ASP 55 Cb 0.28 -0.70 -0.09 0.00 -0.02 0.00 0.00 41.12 40.59 3fdu n ASP 55 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3fdu s VAL 56 N -3.09 5.26 -0.14 2.53 1.01 0.20 -4.13 120.40 122.03 3fdu s VAL 56 Ca 0.11 0.41 0.08 0.00 0.00 0.00 0.00 61.98 62.58 3fdu s VAL 56 Cb 0.13 -3.62 -0.14 0.00 0.00 0.00 0.00 36.38 32.75 3fdu s VAL 56 CO 0.59 0.24 -0.02 0.54 0.00 0.00 0.00 175.10 176.45 3fdu n ARG 57 N 4.85 1.37 -3.85 2.72 1.74 0.50 -4.88 116.66 119.10 3fdu n ARG 57 Ca -0.11 0.03 -0.12 0.00 -0.77 0.00 0.00 57.85 56.87 3fdu n ARG 57 Cb 0.51 -1.34 -0.13 0.00 -1.02 0.00 0.00 32.46 30.48 3fdu n ARG 57 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3fdu s VAL 58 N -2.32 0.00 -0.11 1.55 1.01 -0.97 -4.21 120.40 115.35 3fdu s VAL 58 Ca -0.12 -0.03 -0.01 0.00 0.00 0.00 0.00 61.98 61.82 3fdu s VAL 58 Cb 0.05 -0.10 -0.03 0.00 0.00 0.00 0.00 36.38 36.30 3fdu s VAL 58 CO 0.49 -0.01 -0.04 -0.69 0.00 0.00 0.00 175.10 174.84 3fdu s VAL 59 N -0.02 3.88 -0.16 2.92 1.01 -0.43 -1.08 120.40 126.53 3fdu s VAL 59 Ca -0.01 -0.39 -0.03 0.00 0.00 0.00 0.00 61.98 61.56 3fdu s VAL 59 Cb -0.01 -2.64 -0.02 0.00 0.00 0.00 0.00 36.38 33.71 3fdu s VAL 59 CO 0.00 0.56 -0.07 -0.69 0.00 0.00 0.00 175.10 174.90 3fdu s VAL 60 N -0.34 3.55 -0.12 2.92 1.01 -0.00 -0.71 120.40 126.70 3fdu s VAL 60 Ca 0.06 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 61.57 3fdu s VAL 60 Cb -0.12 -2.54 -0.01 0.00 0.00 0.00 0.00 36.38 33.70 3fdu s VAL 60 CO 0.02 0.49 -0.17 -0.22 0.00 0.00 0.00 175.10 175.23 3fdu s LEU 61 N 0.50 2.48 0.00 3.92 2.96 0.95 -0.70 118.68 128.79 3fdu s LEU 61 Ca -0.05 -0.42 -0.14 0.00 -0.22 0.00 0.00 54.13 53.30 3fdu s LEU 61 Cb -0.15 -1.54 0.06 0.00 0.50 0.00 0.00 46.19 45.06 3fdu s LEU 61 CO 0.03 0.16 0.76 -2.11 -1.32 0.00 0.00 176.35 173.88 3fdu n ARG 62 N 3.54 1.02 -2.32 1.98 1.85 -0.43 -2.14 116.66 120.17 3fdu n ARG 62 Ca -0.18 -2.02 -0.28 0.00 -1.00 0.00 0.00 57.85 54.36 3fdu n ARG 62 Cb 0.53 2.53 0.01 0.00 -1.05 0.00 0.00 32.46 34.48 3fdu n ARG 62 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 3fdu s GLY 63 N -2.97 1.57 0.29 2.89 0.00 -1.26 -1.16 107.32 106.68 3fdu s GLY 63 Ca 0.15 -0.43 0.15 0.00 0.00 0.00 0.00 44.72 44.60 3fdu s GLY 63 CO 0.11 -0.19 1.54 0.00 0.00 0.00 0.00 173.10 174.55 3fdu h ALA 64 N -0.08 0.76 -3.00 3.20 0.00 -1.16 -3.43 119.26 115.55 3fdu h ALA 64 Ca -0.46 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 53.97 3fdu h ALA 64 Cb 1.22 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3fdu h ALA 64 CO 0.62 0.67 0.00 -1.91 0.00 0.00 0.00 179.25 178.63 3fdu n GLU 65 N -3.39 0.00 0.00 0.00 4.07 -1.26 -5.03 120.64 115.03 3fdu n GLU 65 Ca 0.01 0.00 0.13 0.00 -0.06 0.00 0.00 57.16 57.23 3fdu n GLU 65 Cb 0.67 0.00 0.36 0.00 -0.06 0.00 0.00 31.44 32.42 3fdu n GLU 65 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79 3fdu n HIS 66 N 0.00 0.00 -4.03 4.31 8.25 -1.26 -4.92 115.22 117.57 3fdu n HIS 66 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.34 3fdu n HIS 66 Cb 0.00 -0.15 -0.12 0.00 1.12 0.00 0.00 29.99 30.84 3fdu n HIS 66 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3fdu s ASP 67 N -2.60 0.51 0.00 0.41 1.01 -1.25 -2.45 116.67 112.30 3fdu s ASP 67 Ca 0.22 -0.38 0.00 0.00 0.71 0.00 0.00 52.55 53.09 3fdu s ASP 67 Cb 0.19 0.03 0.00 0.00 1.01 0.00 0.00 42.92 44.15 3fdu s ASP 67 CO 0.55 -0.16 0.00 0.33 0.21 0.00 0.00 175.17 176.10 3fdu n PHE 68 N 1.97 0.00 -3.64 4.23 7.35 -0.47 -4.17 117.46 122.72 3fdu n PHE 68 Ca -0.20 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.39 3fdu n PHE 68 Cb 0.56 -0.34 -0.07 0.00 0.35 0.00 0.00 39.48 39.98 3fdu n PHE 68 CO 0.00 0.00 0.00 -0.08 -0.76 0.00 0.00 176.76 175.92 3fdu s THR 69 N -0.73 -0.00 -1.93 -2.13 -1.32 -0.66 -4.49 115.64 104.37 3fdu s THR 69 Ca 0.00 0.01 0.25 0.00 -1.21 0.00 0.00 61.69 60.74 3fdu s THR 69 Cb 0.00 -0.96 0.68 0.00 -1.51 0.00 0.00 72.50 70.71 3fdu s THR 69 CO 0.00 0.00 1.86 0.00 -2.21 0.00 0.00 174.62 174.27 3fdu n ALA 70 N 3.71 2.41 0.00 11.08 0.00 -0.59 -1.24 120.51 135.89 3fdu n ALA 70 Ca -0.18 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.11 3fdu n ALA 70 Cb 0.57 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.62 3fdu n ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fdu n GLY 71 N 0.60 -1.76 3.73 0.00 0.00 -1.21 -4.61 105.19 101.94 3fdu n GLY 71 Ca 0.18 -1.71 -0.42 0.00 0.00 0.00 0.00 46.02 44.08 3fdu n GLY 71 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3fdu s ASN 72 N -4.00 6.49 0.04 1.61 2.47 -1.26 -0.22 114.94 120.07 3fdu s ASN 72 Ca 0.00 2.77 -0.30 0.00 0.42 0.00 0.00 52.86 55.75 3fdu s ASN 72 Cb 0.00 -2.61 -0.09 0.00 -1.45 0.00 0.00 41.25 37.11 3fdu s ASN 72 CO 0.00 -0.86 1.89 -0.62 -3.72 0.00 0.00 177.10 173.78 3fdu s ASP 73 N 0.88 6.49 0.43 -4.21 2.15 0.13 -4.72 116.67 117.81 3fdu s ASP 73 Ca 0.68 2.61 0.18 0.00 0.43 0.00 0.00 52.55 56.45 3fdu s ASP 73 Cb -0.46 -2.54 0.98 0.00 -0.30 0.00 0.00 42.92 40.61 3fdu s ASP 73 CO 0.37 -1.02 1.93 -0.03 -0.17 0.00 0.00 175.17 176.25 3fdu h MET 74 N 10.07 0.00 0.34 4.34 4.05 -1.91 3.33 114.93 135.14 3fdu h MET 74 Ca -0.47 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 58.93 3fdu h MET 74 Cb 1.22 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.03 3fdu h MET 74 CO 0.94 0.26 -0.16 0.87 0.23 0.00 0.00 176.91 179.05 3fdu h LYS 75 N 0.00 -0.44 -0.60 0.39 6.56 -1.98 0.11 116.57 120.62 3fdu h LYS 75 Ca -0.00 0.03 0.12 0.00 -1.06 0.00 0.00 60.65 59.74 3fdu h LYS 75 Cb 0.51 0.10 -0.09 0.00 -0.57 0.00 0.00 32.23 32.18 3fdu h LYS 75 CO 0.03 -0.11 0.07 0.22 -2.06 0.00 0.00 179.45 177.60 3fdu h ASP 76 N -0.90 -0.11 -0.89 0.86 3.58 -1.79 0.15 116.42 117.32 3fdu h ASP 76 Ca -0.05 0.13 0.24 0.00 0.42 0.00 0.00 57.03 57.77 3fdu h ASP 76 Cb 0.53 0.20 -0.15 0.00 1.72 0.00 0.00 39.33 41.63 3fdu h ASP 76 CO 0.08 -0.05 0.22 0.15 -2.88 0.00 0.00 179.24 176.76 3fdu h PHE 77 N 0.19 0.32 -2.38 0.28 3.57 0.64 -3.48 116.94 116.08 3fdu h PHE 77 Ca 0.32 0.05 -0.79 0.00 3.53 0.00 0.00 57.97 61.08 3fdu h PHE 77 Cb 0.49 0.00 -0.23 0.00 2.79 0.00 0.00 35.95 39.00 3fdu h PHE 77 CO -0.29 -0.24 1.23 -0.12 -2.23 0.00 0.00 178.31 176.66 3fdu n MET 78 N -5.25 4.03 0.00 1.11 1.56 0.51 -5.04 117.12 114.04 3fdu n MET 78 Ca 0.22 -4.14 0.00 0.00 -0.27 0.00 0.00 57.70 53.51 3fdu n MET 78 Cb 0.71 -2.69 0.00 0.00 2.15 0.00 0.00 33.22 33.38 3fdu n MET 78 CO 0.00 0.00 0.00 -0.35 -0.73 0.00 0.00 175.97 174.89 3fdu n PRO 88 N 2.60 0.00 -0.15 2.12 -0.04 -1.26 -5.08 135.00 133.18 3fdu n PRO 88 Ca 0.31 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.79 3fdu n PRO 88 Cb 0.35 0.00 0.29 0.00 -0.04 0.00 0.00 33.50 34.11 3fdu n PRO 88 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3fdu h ALA 89 N 0.00 1.52 0.00 0.55 0.00 -1.94 -2.03 119.26 117.37 3fdu h ALA 89 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3fdu h ALA 89 Cb 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.53 3fdu h ALA 89 CO 0.00 0.44 0.00 0.41 0.00 0.00 0.00 179.25 180.10 3fdu n GLY 90 N -1.41 -0.70 0.70 0.00 0.00 -1.26 -1.72 105.19 100.79 3fdu n GLY 90 Ca 0.07 0.05 0.09 0.00 0.00 0.00 0.00 46.02 46.23 3fdu n GLY 90 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3fdu n GLN 91 N -1.75 1.46 -1.95 1.61 1.13 -0.76 -4.23 117.38 112.89 3fdu n GLN 91 Ca 0.00 -1.56 -0.41 0.00 -1.94 0.00 0.00 57.00 53.09 3fdu n GLN 91 Cb 0.04 -1.34 -0.01 0.00 0.11 0.00 0.00 30.24 29.05 3fdu n GLN 91 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3fdu s VAL 92 N -1.43 2.37 0.15 5.09 1.01 -0.70 -4.79 120.40 122.09 3fdu s VAL 92 Ca 0.21 0.36 -0.19 0.00 0.00 0.00 0.00 61.98 62.37 3fdu s VAL 92 Cb 0.15 -3.23 0.05 0.00 0.00 0.00 0.00 36.38 33.34 3fdu s VAL 92 CO 0.22 0.08 1.67 -0.65 0.00 0.00 0.00 175.10 176.42 3fdu h PRO 93 N 3.07 -0.04 -1.00 2.72 0.11 -1.90 -1.69 132.00 133.27 3fdu h PRO 93 Ca -0.50 0.00 0.21 0.00 0.11 0.00 0.00 66.00 65.82 3fdu h PRO 93 Cb 1.24 0.01 -0.10 0.00 0.11 0.00 0.00 31.00 32.25 3fdu h PRO 93 CO 0.64 -0.02 0.62 -1.35 -0.21 0.00 0.00 178.00 177.68 3fdu h PRO 94 N -0.04 0.62 0.00 1.05 0.10 -1.91 0.14 132.00 131.96 3fdu h PRO 94 Ca 0.15 -0.04 -0.12 0.00 0.10 0.00 0.00 66.00 66.10 3fdu h PRO 94 Cb 0.27 -0.14 -0.02 0.00 0.10 0.00 0.00 31.00 31.22 3fdu h PRO 94 CO -0.34 0.41 -0.55 0.74 0.10 0.00 0.00 178.00 178.36 3fdu h PHE 95 N 0.64 0.00 -0.46 0.65 0.04 -1.63 -1.84 116.94 114.33 3fdu h PHE 95 Ca 0.58 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 61.28 3fdu h PHE 95 Cb 1.07 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.21 3fdu h PHE 95 CO -0.00 0.55 0.01 0.28 -0.60 0.00 0.00 178.31 178.55 3fdu h VAL 96 N 0.00 1.26 -0.56 -0.55 2.07 -0.41 -2.06 116.25 116.01 3fdu h VAL 96 Ca -0.01 -1.03 -0.11 0.00 0.82 0.00 0.00 66.70 66.37 3fdu h VAL 96 Cb 1.05 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.81 3fdu h VAL 96 CO 0.07 0.36 -0.08 0.25 0.02 0.00 0.00 177.57 178.19 3fdu h LEU 97 N 0.66 1.04 -0.51 2.57 5.85 -0.94 -2.10 115.31 121.87 3fdu h LEU 97 Ca 0.13 -0.34 0.00 0.00 0.84 0.00 0.00 57.88 58.51 3fdu h LEU 97 Cb 0.48 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 3fdu h LEU 97 CO 0.02 1.13 0.33 -0.07 -0.34 0.00 0.00 178.44 179.51 3fdu h LEU 98 N 0.92 0.59 -0.56 2.25 3.38 -1.15 0.39 115.31 121.12 3fdu h LEU 98 Ca 0.15 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.97 3fdu h LEU 98 Cb 0.65 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 3fdu h LEU 98 CO 0.04 0.44 -0.16 0.11 0.09 0.00 0.00 178.44 178.97 3fdu h LYS 99 N 0.69 0.99 -0.40 1.13 1.57 -1.28 -0.10 116.57 119.16 3fdu h LYS 99 Ca 0.18 -0.39 -0.02 0.00 -1.87 0.00 0.00 60.65 58.56 3fdu h LYS 99 Cb -0.06 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 3fdu h LYS 99 CO -0.04 1.06 0.18 0.77 -0.57 0.00 0.00 179.45 180.85 3fdu h SER 100 N 0.87 0.54 -0.36 0.86 0.02 -1.02 -0.58 113.55 113.88 3fdu h SER 100 Ca 0.13 -0.14 0.05 0.00 -0.84 0.00 0.00 61.79 60.99 3fdu h SER 100 Cb 0.72 -0.14 -0.05 0.00 0.14 0.00 0.00 62.40 63.07 3fdu h SER 100 CO 0.06 0.53 0.07 0.00 -1.14 0.00 0.00 176.83 176.34 3fdu h ALA 101 N 1.03 0.38 -0.21 3.77 0.00 -0.59 -2.44 119.26 121.19 3fdu h ALA 101 Ca 0.14 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 3fdu h ALA 101 Cb 0.15 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3fdu h ALA 101 CO -0.01 -0.34 -0.01 0.00 0.00 0.00 0.00 179.25 178.89 3fdu h ALA 102 N 1.27 1.60 0.00 0.00 0.00 -0.62 -2.82 119.26 118.70 3fdu h ALA 102 Ca 0.17 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3fdu h ALA 102 Cb 0.20 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3fdu h ALA 102 CO -0.23 0.30 -0.29 0.00 0.00 0.00 0.00 179.25 179.03 3fdu h ARG 103 N 0.30 0.00 -6.36 0.00 3.08 -0.94 -3.46 114.38 107.00 3fdu h ARG 103 Ca 0.07 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.52 3fdu h ARG 103 Cb 0.22 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.30 3fdu h ARG 103 CO 0.01 0.16 1.02 -0.11 -1.07 0.00 0.00 179.97 179.97 3fdu n LEU 104 N -3.09 3.41 0.06 3.04 7.94 -0.94 -4.83 117.00 122.59 3fdu n LEU 104 Ca 0.03 1.00 0.13 0.00 -1.11 0.00 0.00 56.01 56.05 3fdu n LEU 104 Cb 0.60 -1.40 0.32 0.00 0.53 0.00 0.00 43.42 43.47 3fdu n LEU 104 CO 0.37 -0.10 0.62 -1.54 -1.11 0.00 0.00 177.39 175.64 3fdu n SER 105 N 5.73 0.61 -4.97 1.96 3.41 -1.26 -4.85 113.62 114.24 3fdu n SER 105 Ca 0.21 0.27 -0.21 0.00 -0.26 0.00 0.00 58.87 58.88 3fdu n SER 105 Cb 0.30 -0.23 -0.01 0.00 -0.26 0.00 0.00 64.21 64.02 3fdu n SER 105 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3fdu s LYS 106 N -3.10 3.25 0.35 4.33 1.02 -1.26 -4.74 119.74 119.59 3fdu s LYS 106 Ca 0.09 -0.71 -0.29 0.00 0.02 0.00 0.00 55.97 55.09 3fdu s LYS 106 Cb 0.14 -2.75 -0.11 0.00 -0.52 0.00 0.00 37.83 34.59 3fdu s LYS 106 CO 0.65 0.10 1.44 -2.14 -0.92 0.00 0.00 175.35 174.47 3fdu s PRO 107 N -4.23 4.20 -0.18 -1.68 0.02 -1.26 -4.87 135.00 127.00 3fdu s PRO 107 Ca 0.42 2.44 0.01 0.00 0.02 0.00 0.00 61.00 63.89 3fdu s PRO 107 Cb -0.09 -3.01 0.03 0.00 0.02 0.00 0.00 34.50 31.44 3fdu s PRO 107 CO 0.33 -0.43 -0.13 -1.17 -0.33 0.00 0.00 177.00 175.28 3fdu s LEU 108 N -1.75 2.03 -0.16 -5.54 2.96 -1.26 -1.31 118.68 113.65 3fdu s LEU 108 Ca 0.53 -0.71 -0.05 0.00 -0.22 0.00 0.00 54.13 53.68 3fdu s LEU 108 Cb -0.44 -1.23 -0.03 0.00 0.50 0.00 0.00 46.19 44.98 3fdu s LEU 108 CO 0.57 -0.10 0.00 -0.63 -1.32 0.00 0.00 176.35 174.88 3fdu s ILE 109 N 1.42 4.25 -0.05 6.68 1.01 0.11 -0.69 121.20 133.92 3fdu s ILE 109 Ca 0.02 -0.23 0.01 0.00 0.00 0.00 0.00 60.65 60.44 3fdu s ILE 109 Cb -0.15 -2.88 -0.03 0.00 0.01 0.00 0.00 42.46 39.42 3fdu s ILE 109 CO -0.10 0.49 -0.04 -0.63 0.00 0.00 0.00 174.94 174.66 3fdu s ILE 110 N 0.26 3.90 -0.13 2.92 1.01 -0.56 -0.03 121.20 128.56 3fdu s ILE 110 Ca -0.00 -0.48 0.02 0.00 0.00 0.00 0.00 60.65 60.18 3fdu s ILE 110 Cb -0.13 -2.64 0.01 0.00 0.01 0.00 0.00 42.46 39.71 3fdu s ILE 110 CO 0.02 0.54 -0.18 0.00 0.00 0.00 0.00 174.94 175.32 3fdu s ALA 111 N -0.89 1.98 -0.15 9.38 0.00 -0.91 -0.94 121.76 130.24 3fdu s ALA 111 Ca 0.14 -0.94 -0.01 0.00 0.00 0.00 0.00 51.96 51.16 3fdu s ALA 111 Cb -0.11 -0.96 -0.01 0.00 0.00 0.00 0.00 23.12 22.04 3fdu s ALA 111 CO 0.04 -0.13 -0.11 0.08 0.00 0.00 0.00 175.76 175.64 3fdu s VAL 112 N 1.03 3.14 0.08 0.00 1.01 0.90 -4.32 120.40 122.24 3fdu s VAL 112 Ca -0.04 -0.62 0.05 0.00 0.00 0.00 0.00 61.98 61.38 3fdu s VAL 112 Cb -0.15 -2.34 -0.03 0.00 0.00 0.00 0.00 36.38 33.86 3fdu s VAL 112 CO -0.04 0.51 -0.14 -0.54 0.00 0.00 0.00 175.10 174.89 3fdu s LYS 113 N 0.56 0.85 4.40 2.72 1.02 -1.26 -2.46 119.74 125.57 3fdu s LYS 113 Ca -0.07 -1.02 0.00 0.00 0.02 0.00 0.00 55.97 54.90 3fdu s LYS 113 Cb -0.15 -0.82 0.00 0.00 -0.52 0.00 0.00 37.83 36.34 3fdu s LYS 113 CO 0.03 0.17 0.00 0.41 -0.92 0.00 0.00 175.35 175.05 3fdu n GLY 114 N 1.11 2.31 3.75 -3.33 0.00 -1.02 -1.37 105.19 106.64 3fdu n GLY 114 Ca -0.20 -0.39 -0.41 0.00 0.00 0.00 0.00 46.02 45.02 3fdu n GLY 114 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3fdu s VAL 115 N 0.00 3.33 -0.30 1.61 -7.23 -1.26 -0.38 120.40 116.17 3fdu s VAL 115 Ca 0.00 1.25 -0.03 0.00 -1.81 0.00 0.00 61.98 61.39 3fdu s VAL 115 Cb 0.00 -3.80 0.11 0.00 0.56 0.00 0.00 36.38 33.25 3fdu s VAL 115 CO 0.00 0.26 0.14 0.00 -0.31 0.00 0.00 175.10 175.20 3fdu s ALA 116 N -0.76 0.72 -0.06 1.32 0.00 0.27 -1.53 121.76 121.72 3fdu s ALA 116 Ca 0.48 -1.25 0.04 0.00 0.00 0.00 0.00 51.96 51.24 3fdu s ALA 116 Cb -0.34 -1.44 -0.00 0.00 0.00 0.00 0.00 23.12 21.34 3fdu s ALA 116 CO 0.42 -1.72 -0.20 0.42 0.00 0.00 0.00 175.76 174.68 3fdu s ILE 117 N 1.91 1.71 0.00 0.00 -1.09 -0.37 -2.60 121.20 120.75 3fdu s ILE 117 Ca 0.10 -0.85 0.00 0.00 -2.23 0.00 0.00 60.65 57.68 3fdu s ILE 117 Cb -0.17 -1.47 0.00 0.00 -1.58 0.00 0.00 42.46 39.24 3fdu s ILE 117 CO -0.30 0.48 0.00 0.61 -1.23 0.00 0.00 174.94 174.50 3fdu n GLY 118 N 3.28 1.75 0.31 6.18 0.00 0.26 -0.84 105.19 116.14 3fdu n GLY 118 Ca -0.19 0.02 0.18 0.00 0.00 0.00 0.00 46.02 46.03 3fdu n GLY 118 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3fdu h ILE 119 N 0.00 0.31 -0.06 -0.61 2.10 -1.95 -0.02 117.51 117.30 3fdu h ILE 119 Ca 0.00 -0.08 0.02 0.00 1.08 0.00 0.00 64.86 65.88 3fdu h ILE 119 Cb 0.00 1.06 -0.00 0.00 -1.09 0.00 0.00 36.82 36.78 3fdu h ILE 119 CO 0.00 0.01 0.10 1.23 -1.08 0.00 0.00 178.15 178.41 3fdu h GLY 120 N 0.17 0.00 0.00 8.18 0.00 -1.27 -0.16 103.07 109.99 3fdu h GLY 120 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 47.33 46.90 3fdu h GLY 120 CO 0.00 0.00 -2.52 -0.62 0.00 0.00 0.00 176.54 173.40 3fdu n VAL 121 N -3.50 1.51 0.24 4.60 0.31 -0.09 -4.43 118.33 116.97 3fdu n VAL 121 Ca -0.01 -0.46 0.10 0.00 -0.01 0.00 0.00 64.34 63.95 3fdu n VAL 121 Cb 0.18 -1.68 0.61 0.00 -0.91 0.00 0.00 33.84 32.05 3fdu n VAL 121 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 3fdu h THR 122 N -0.57 0.74 0.00 2.52 1.35 -1.30 -0.18 112.91 115.46 3fdu h THR 122 Ca -0.65 -0.73 -0.04 0.00 -0.55 0.00 0.00 66.41 64.44 3fdu h THR 122 Cb 1.73 1.44 -0.01 0.00 -1.73 0.00 0.00 68.15 69.59 3fdu h THR 122 CO -0.28 0.17 -0.21 -0.29 -0.25 0.00 0.00 175.52 174.66 3fdu h ILE 123 N 0.00 0.54 0.00 6.82 2.10 -1.26 -2.70 117.51 123.02 3fdu h ILE 123 Ca -0.00 -1.03 -0.02 0.00 1.08 0.00 0.00 64.86 64.88 3fdu h ILE 123 Cb 0.43 1.71 -0.00 0.00 -1.09 0.00 0.00 36.82 37.86 3fdu h ILE 123 CO 0.02 0.20 -0.11 -0.07 -1.08 0.00 0.00 178.15 177.11 3fdu h LEU 124 N 0.00 0.00 -0.40 2.19 3.38 -1.23 -2.04 115.31 117.21 3fdu h LEU 124 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3fdu h LEU 124 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 3fdu h LEU 124 CO 0.03 0.11 0.00 0.18 0.09 0.00 0.00 178.44 178.85 3fdu n LEU 125 N -3.73 0.73 0.01 1.67 4.77 -1.02 -2.16 117.00 117.27 3fdu n LEU 125 Ca -0.02 0.63 0.11 0.00 -0.03 0.00 0.00 56.01 56.70 3fdu n LEU 125 Cb 0.22 -0.47 -0.02 0.00 -2.33 0.00 0.00 43.42 40.82 3fdu n LEU 125 CO 0.30 -0.40 -0.01 0.00 -1.33 0.00 0.00 177.39 175.96 3fdu n GLN 126 N -2.25 0.13 -2.95 3.23 1.13 -0.78 -4.95 117.38 110.94 3fdu n GLN 126 Ca 0.04 -0.02 -0.33 0.00 -1.94 0.00 0.00 57.00 54.75 3fdu n GLN 126 Cb 0.32 -1.52 -0.06 0.00 0.11 0.00 0.00 30.24 29.08 3fdu n GLN 126 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3fdu s ALA 127 N -3.09 3.17 0.06 -1.58 0.00 -0.92 -4.69 121.76 114.71 3fdu s ALA 127 Ca 0.06 0.22 0.01 0.00 0.00 0.00 0.00 51.96 52.26 3fdu s ALA 127 Cb 0.16 -2.97 -0.25 0.00 0.00 0.00 0.00 23.12 20.05 3fdu s ALA 127 CO 0.83 0.21 1.07 -0.44 0.00 0.00 0.00 175.76 177.43 3fdu h ASP 128 N 2.02 0.23 -3.67 0.00 3.32 -1.21 -3.46 116.42 113.65 3fdu h ASP 128 Ca -0.48 -0.28 -0.24 0.00 0.02 0.00 0.00 57.03 56.05 3fdu h ASP 128 Cb 1.18 -0.08 -0.29 0.00 0.22 0.00 0.00 39.33 40.36 3fdu h ASP 128 CO 0.63 1.22 -0.69 -0.76 -1.72 0.00 0.00 179.24 177.93 3fdu s LEU 129 N -6.86 1.61 -0.05 1.55 1.43 -1.17 -5.05 118.68 110.14 3fdu s LEU 129 Ca -0.04 0.08 0.02 0.00 -1.03 0.00 0.00 54.13 53.16 3fdu s LEU 129 Cb 0.08 0.09 0.01 0.00 0.03 0.00 0.00 46.19 46.40 3fdu s LEU 129 CO 0.85 -0.05 -0.10 -0.69 0.23 0.00 0.00 176.35 176.60 3fdu s VAL 130 N 0.34 0.91 -0.02 -1.59 1.01 -1.26 -1.49 120.40 118.30 3fdu s VAL 130 Ca -0.03 -0.36 0.06 0.00 0.00 0.00 0.00 61.98 61.66 3fdu s VAL 130 Cb -0.04 -0.85 -0.02 0.00 0.00 0.00 0.00 36.38 35.46 3fdu s VAL 130 CO -0.01 0.30 -0.20 -0.36 0.00 0.00 0.00 175.10 174.83 3fdu s PHE 131 N 0.68 2.50 0.08 5.22 0.08 -0.11 -0.12 117.98 126.31 3fdu s PHE 131 Ca -0.12 -0.30 0.02 0.00 0.12 0.00 0.00 56.93 56.64 3fdu s PHE 131 Cb -0.15 -1.54 -0.04 0.00 -0.57 0.00 0.00 43.02 40.72 3fdu s PHE 131 CO 0.02 0.09 -0.07 0.00 -0.10 0.00 0.00 175.22 175.16 3fdu s ALA 132 N -0.70 0.86 0.49 5.36 0.00 -1.09 -0.07 121.76 126.60 3fdu s ALA 132 Ca 0.11 -1.14 0.08 0.00 0.00 0.00 0.00 51.96 51.01 3fdu s ALA 132 Cb -0.10 0.11 0.03 0.00 0.00 0.00 0.00 23.12 23.15 3fdu s ALA 132 CO 0.00 -0.14 0.56 0.16 0.00 0.00 0.00 175.76 176.34 3fdu s ASP 133 N -2.49 5.16 0.00 0.00 1.47 -1.03 -1.27 116.67 118.51 3fdu s ASP 133 Ca 0.04 -0.77 0.05 0.00 1.18 0.00 0.00 52.55 53.04 3fdu s ASP 133 Cb -0.01 -0.17 0.28 0.00 -0.34 0.00 0.00 42.92 42.67 3fdu s ASP 133 CO -0.03 -0.96 0.72 -0.46 0.68 0.00 0.00 175.17 175.13 3fdu n ASN 134 N -1.87 0.00 -0.13 2.11 0.23 -1.26 -1.99 115.26 112.36 3fdu n ASN 134 Ca 0.08 -0.17 0.12 0.00 -0.53 0.00 0.00 54.58 54.07 3fdu n ASN 134 Cb 0.61 0.00 0.16 0.00 -2.08 0.00 0.00 39.78 38.47 3fdu n ASN 134 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 3fdu n THR 135 N -0.96 0.00 -1.89 5.53 -2.24 -1.26 -4.82 114.28 108.64 3fdu n THR 135 Ca 0.03 -0.07 -0.40 0.00 -2.27 0.00 0.00 64.05 61.35 3fdu n THR 135 Cb 0.02 0.60 0.00 0.00 -2.10 0.00 0.00 70.33 68.84 3fdu n THR 135 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fdu s ALA 136 N -2.81 3.39 -0.12 6.98 0.00 -0.84 -3.64 121.76 124.73 3fdu s ALA 136 Ca 0.15 1.43 -0.01 0.00 0.00 0.00 0.00 51.96 53.52 3fdu s ALA 136 Cb 0.18 -3.56 0.04 0.00 0.00 0.00 0.00 23.12 19.77 3fdu s ALA 136 CO 0.68 -1.01 -0.01 -1.17 0.00 0.00 0.00 175.76 174.25 3fdu s LEU 137 N -2.33 0.97 0.16 0.00 1.98 0.49 -4.05 118.68 115.90 3fdu s LEU 137 Ca 0.56 -0.38 0.05 0.00 -2.89 0.00 0.00 54.13 51.47 3fdu s LEU 137 Cb -0.43 -0.61 -0.04 0.00 0.66 0.00 0.00 46.19 45.77 3fdu s LEU 137 CO 0.57 -0.21 0.11 -0.36 -1.89 0.00 0.00 176.35 174.57 3fdu s PHE 138 N 1.85 3.09 -0.27 5.38 0.08 -0.55 -0.56 117.98 127.00 3fdu s PHE 138 Ca 0.03 -0.03 -0.26 0.00 0.12 0.00 0.00 56.93 56.79 3fdu s PHE 138 Cb -0.14 -1.49 0.13 0.00 -0.57 0.00 0.00 43.02 40.95 3fdu s PHE 138 CO -0.07 0.52 1.09 -1.14 -0.10 0.00 0.00 175.22 175.52 3fdu s GLN 139 N -3.04 0.45 -0.52 0.44 0.74 -1.07 -1.22 119.66 115.44 3fdu s GLN 139 Ca 0.30 0.46 0.02 0.00 0.05 0.00 0.00 55.36 56.19 3fdu s GLN 139 Cb -0.10 0.22 0.13 0.00 1.10 0.00 0.00 33.01 34.36 3fdu s GLN 139 CO 0.22 -0.07 0.28 0.42 -0.55 0.00 0.00 175.29 175.59 3fdu s ILE 140 N 0.02 2.90 -2.01 -2.34 1.01 -1.26 -0.58 121.20 118.94 3fdu s ILE 140 Ca 0.03 -3.00 0.29 0.00 0.00 0.00 0.00 60.65 57.97 3fdu s ILE 140 Cb -0.04 -2.99 0.58 0.00 0.01 0.00 0.00 42.46 40.02 3fdu s ILE 140 CO -0.07 -0.79 1.89 -0.81 0.00 0.00 0.00 174.94 175.17 3fdu n PRO 141 N 3.47 1.09 -0.26 2.79 -0.04 -1.26 -4.26 135.00 136.53 3fdu n PRO 141 Ca 0.05 -0.43 0.08 0.00 -0.04 0.00 0.00 63.50 63.15 3fdu n PRO 141 Cb 0.36 -1.49 0.21 0.00 -0.04 0.00 0.00 33.50 32.54 3fdu n PRO 141 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 3fdu h PHE 142 N 1.06 0.32 -0.78 0.54 0.04 -1.91 -0.65 116.94 115.56 3fdu h PHE 142 Ca 0.00 0.04 -0.01 0.00 2.80 0.00 0.00 57.97 60.80 3fdu h PHE 142 Cb 0.33 -0.02 -0.04 0.00 2.20 0.00 0.00 35.95 38.42 3fdu h PHE 142 CO 0.00 -0.11 0.44 0.28 -0.60 0.00 0.00 178.31 178.33 3fdu h VAL 143 N 0.27 1.23 0.00 -0.55 2.07 -1.79 -0.11 116.25 117.37 3fdu h VAL 143 Ca 0.45 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 67.43 3fdu h VAL 143 Cb 0.81 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 3fdu h VAL 143 CO -0.54 0.25 0.00 -1.54 0.02 0.00 0.00 177.57 175.76 3fdu n SER 144 N -4.45 0.00 -0.99 0.57 3.41 -0.29 -2.32 113.62 109.55 3fdu n SER 144 Ca 0.07 -0.38 0.12 0.00 -0.26 0.00 0.00 58.87 58.42 3fdu n SER 144 Cb 0.08 -0.17 0.18 0.00 -0.26 0.00 0.00 64.21 64.04 3fdu n SER 144 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3fdu n LEU 145 N -1.17 3.04 0.00 1.04 4.77 -0.85 -4.92 117.00 118.90 3fdu n LEU 145 Ca 0.15 -1.14 0.00 0.00 -0.03 0.00 0.00 56.01 55.00 3fdu n LEU 145 Cb 0.16 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 3fdu n LEU 145 CO 0.18 0.57 0.00 0.61 -1.33 0.00 0.00 177.39 177.42 3fdu n GLY 146 N 1.39 0.42 0.00 -0.72 0.00 -0.98 -4.03 105.19 101.27 3fdu n GLY 146 Ca 0.16 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.40 3fdu n GLY 146 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3fdu n LEU 147 N 0.00 0.00 -3.86 0.99 4.77 -0.11 -4.43 117.00 114.36 3fdu n LEU 147 Ca 0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.88 3fdu n LEU 147 Cb 0.00 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.10 3fdu n LEU 147 CO 0.00 0.00 0.46 -0.94 -1.33 0.00 0.00 177.39 175.58 3fdu s SER 148 N -0.51 0.15 0.68 -1.43 1.04 -1.26 -4.60 113.70 107.77 3fdu s SER 148 Ca 0.00 -1.17 -0.14 0.00 0.48 0.00 0.00 55.95 55.11 3fdu s SER 148 Cb 0.00 0.81 0.01 0.00 0.10 0.00 0.00 66.02 66.94 3fdu s SER 148 CO 0.00 -1.60 1.11 -2.84 0.98 0.00 0.00 173.24 170.89 3fdu s PRO 149 N -2.54 2.70 0.29 4.02 0.02 -1.26 -4.81 135.00 133.42 3fdu s PRO 149 Ca 0.18 1.36 0.03 0.00 0.02 0.00 0.00 61.00 62.58 3fdu s PRO 149 Cb -0.04 -1.94 -0.06 0.00 0.02 0.00 0.00 34.50 32.48 3fdu s PRO 149 CO 0.13 -1.32 0.06 -1.83 -0.33 0.00 0.00 177.00 173.71 3fdu s GLU 150 N -4.23 1.53 -0.88 5.54 -1.05 -1.26 -4.74 118.70 113.61 3fdu s GLU 150 Ca 0.66 -1.83 0.00 0.00 -0.15 0.00 0.00 54.97 53.65 3fdu s GLU 150 Cb -0.20 -0.62 0.00 0.00 -0.44 0.00 0.00 34.13 32.87 3fdu s GLU 150 CO 0.44 -0.21 0.00 0.41 0.95 0.00 0.00 175.26 176.84 3fdu n GLY 151 N -0.58 0.98 2.26 -3.83 0.00 -1.26 -2.10 105.19 100.66 3fdu n GLY 151 Ca -0.02 -0.40 -0.00 0.00 0.00 0.00 0.00 46.02 45.60 3fdu n GLY 151 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fdu n GLY 152 N -1.47 0.39 0.40 -0.02 0.00 -1.26 -4.89 105.19 98.34 3fdu n GLY 152 Ca -0.08 -0.04 0.22 0.00 0.00 0.00 0.00 46.02 46.12 3fdu n GLY 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fdu h ALA 153 N 0.00 2.53 0.00 4.61 0.00 -1.79 0.67 119.26 125.28 3fdu h ALA 153 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3fdu h ALA 153 Cb 0.27 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3fdu h ALA 153 CO 0.01 -0.75 0.00 -1.13 0.00 0.00 0.00 179.25 177.38 3fdu n SER 154 N -4.27 0.53 -0.04 0.00 3.41 -1.26 -1.15 113.62 110.84 3fdu n SER 154 Ca 0.11 0.62 -0.07 0.00 -0.26 0.00 0.00 58.87 59.27 3fdu n SER 154 Cb 0.68 -0.74 -0.03 0.00 -0.26 0.00 0.00 64.21 63.86 3fdu n SER 154 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fdu n GLN 155 N -2.08 0.17 -0.13 4.33 6.02 -0.54 -4.56 117.38 120.59 3fdu n GLN 155 Ca 0.03 0.06 -0.08 0.00 -0.01 0.00 0.00 57.00 56.99 3fdu n GLN 155 Cb 0.24 -0.93 0.06 0.00 1.02 0.00 0.00 30.24 30.63 3fdu n GLN 155 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3fdu h LEU 156 N -0.16 0.89 -0.28 1.08 3.38 -0.95 -1.33 115.31 117.93 3fdu h LEU 156 Ca -0.19 -0.30 -0.20 0.00 0.09 0.00 0.00 57.88 57.28 3fdu h LEU 156 Cb 1.21 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.71 3fdu h LEU 156 CO -0.08 1.04 -0.84 0.25 0.09 0.00 0.00 178.44 178.90 3fdu h LEU 157 N 0.78 0.47 -0.48 1.67 5.85 -1.34 -0.82 115.31 121.45 3fdu h LEU 157 Ca 0.12 -0.35 0.00 0.00 0.84 0.00 0.00 57.88 58.49 3fdu h LEU 157 Cb 0.69 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 3fdu h LEU 157 CO 0.05 1.12 0.30 0.58 -0.34 0.00 0.00 178.44 180.16 3fdu h VAL 158 N 0.23 1.14 -0.40 1.05 2.07 -1.63 0.16 116.25 118.87 3fdu h VAL 158 Ca -0.05 -0.29 -0.07 0.00 0.82 0.00 0.00 66.70 67.11 3fdu h VAL 158 Cb 1.45 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 3fdu h VAL 158 CO 0.14 0.14 -0.01 0.11 0.02 0.00 0.00 177.57 177.97 3fdu h LYS 159 N 0.64 0.72 -0.03 1.57 1.57 -1.18 0.77 116.57 120.62 3fdu h LYS 159 Ca 0.17 -0.23 -0.15 0.00 -1.87 0.00 0.00 60.65 58.57 3fdu h LYS 159 Cb -0.03 -0.06 0.01 0.00 0.08 0.00 0.00 32.23 32.22 3fdu h LYS 159 CO -0.03 0.81 -0.56 0.37 -0.57 0.00 0.00 179.45 179.47 3fdu h GLN 160 N 0.54 0.43 0.00 3.15 5.75 -0.91 -3.35 115.11 120.73 3fdu h GLN 160 Ca 0.11 -0.42 0.00 0.00 -0.15 0.00 0.00 58.65 58.19 3fdu h GLN 160 Cb 0.49 0.11 0.00 0.00 1.07 0.00 0.00 27.48 29.15 3fdu h GLN 160 CO 0.02 1.08 -1.11 0.00 -2.65 0.00 0.00 178.83 176.17 3fdu n ALA 161 N -2.57 3.51 0.00 3.38 0.00 0.55 -4.57 120.51 120.81 3fdu n ALA 161 Ca -0.10 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 52.91 3fdu n ALA 161 Cb 0.64 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 19.16 3fdu n ALA 161 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fdu n GLY 162 N 1.37 -0.88 0.09 0.00 0.00 0.26 -4.43 105.19 101.61 3fdu n GLY 162 Ca 0.02 -1.53 -0.11 0.00 0.00 0.00 0.00 46.02 44.39 3fdu n GLY 162 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3fdu h TYR 163 N 0.00 0.19 -0.31 1.61 3.20 -1.88 -2.40 116.97 117.38 3fdu h TYR 163 Ca 0.00 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.90 3fdu h TYR 163 Cb 0.00 -0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.17 3fdu h TYR 163 CO 0.00 0.21 0.08 0.45 -1.64 0.00 0.00 178.16 177.26 3fdu h HIS 164 N 0.11 0.13 -0.33 -3.82 3.86 -1.93 -0.73 115.15 112.45 3fdu h HIS 164 Ca 0.05 0.02 -0.12 0.00 -1.16 0.00 0.00 60.37 59.16 3fdu h HIS 164 Cb 0.09 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 28.53 3fdu h HIS 164 CO -0.04 0.04 -0.28 -0.22 0.86 0.00 0.00 177.93 178.30 3fdu h LYS 165 N 0.20 0.67 -0.56 2.45 1.63 -1.76 -1.40 116.57 117.80 3fdu h LYS 165 Ca 0.14 -0.29 -0.03 0.00 -0.85 0.00 0.00 60.65 59.62 3fdu h LYS 165 Cb 0.14 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.72 3fdu h LYS 165 CO -0.17 0.88 0.23 0.00 -3.45 0.00 0.00 179.45 176.94 3fdu h ALA 166 N 1.11 0.73 -0.72 5.00 0.00 -1.16 -1.18 119.26 123.05 3fdu h ALA 166 Ca 0.07 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 3fdu h ALA 166 Cb 0.77 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 3fdu h ALA 166 CO 0.06 0.33 0.22 0.00 0.00 0.00 0.00 179.25 179.86 3fdu h ALA 167 N 1.08 0.94 0.05 0.00 0.00 -0.99 0.13 119.26 120.47 3fdu h ALA 167 Ca 0.19 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.88 3fdu h ALA 167 Cb 0.18 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3fdu h ALA 167 CO -0.02 0.62 -0.09 1.49 0.00 0.00 0.00 179.25 181.26 3fdu h GLU 168 N 1.06 -0.17 -0.35 0.00 4.81 -0.76 0.14 114.58 119.30 3fdu h GLU 168 Ca 0.23 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.43 3fdu h GLU 168 Cb 0.31 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 3fdu h GLU 168 CO -0.01 -0.11 0.04 -0.07 -0.73 0.00 0.00 179.01 178.13 3fdu h LEU 169 N -0.18 0.57 0.35 1.64 3.38 -1.02 -2.50 115.31 117.55 3fdu h LEU 169 Ca 0.02 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 3fdu h LEU 169 Cb 0.19 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3fdu h LEU 169 CO -0.05 0.70 -0.17 -0.07 0.09 0.00 0.00 178.44 178.94 3fdu h LEU 170 N 0.42 -0.40 -0.41 1.67 3.38 -0.70 -2.89 115.31 116.38 3fdu h LEU 170 Ca 0.10 -0.16 0.02 0.00 0.09 0.00 0.00 57.88 57.94 3fdu h LEU 170 Cb 0.39 0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 3fdu h LEU 170 CO 0.01 0.01 0.24 -0.26 0.09 0.00 0.00 178.44 178.53 3fdu h PHE 171 N -0.89 0.45 0.00 1.13 -1.00 -0.82 -3.19 116.94 112.62 3fdu h PHE 171 Ca -0.05 0.01 -0.10 0.00 2.81 0.00 0.00 57.97 60.65 3fdu h PHE 171 Cb 0.53 -0.14 -0.02 0.00 3.61 0.00 0.00 35.95 39.93 3fdu h PHE 171 CO 0.03 0.26 -0.61 1.79 -1.61 0.00 0.00 178.31 178.16 3fdu h THR 172 N 0.49 0.69 -0.95 -1.55 1.35 -1.59 -3.46 112.91 107.89 3fdu h THR 172 Ca 0.16 -2.02 -0.40 0.00 -0.55 0.00 0.00 66.41 63.60 3fdu h THR 172 Cb 0.01 2.29 -0.16 0.00 -1.73 0.00 0.00 68.15 68.57 3fdu h THR 172 CO -0.08 0.40 -0.36 0.00 -0.25 0.00 0.00 175.52 175.23 3fdu n ALA 173 N -2.24 -0.30 -1.64 6.62 0.00 -1.09 -4.92 120.51 116.94 3fdu n ALA 173 Ca 0.00 0.31 -0.33 0.00 0.00 0.00 0.00 53.44 53.43 3fdu n ALA 173 Cb 0.72 -2.01 0.02 0.00 0.00 0.00 0.00 19.45 18.19 3fdu n ALA 173 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 3fdu s LYS 174 N -3.64 3.21 0.53 0.00 -2.85 -1.26 -4.55 119.74 111.18 3fdu s LYS 174 Ca 0.00 1.29 -0.19 0.00 -1.00 0.00 0.00 55.97 56.07 3fdu s LYS 174 Cb 0.00 -2.01 -0.06 0.00 -2.06 0.00 0.00 37.83 33.69 3fdu s LYS 174 CO 0.00 -0.91 1.08 0.15 0.10 0.00 0.00 175.35 175.77 3fdu s LYS 175 N -3.98 3.52 0.11 1.78 1.02 -1.26 -4.33 119.74 116.59 3fdu s LYS 175 Ca 0.65 1.43 -0.11 0.00 0.02 0.00 0.00 55.97 57.96 3fdu s LYS 175 Cb -0.18 -2.05 0.01 0.00 -0.52 0.00 0.00 37.83 35.09 3fdu s LYS 175 CO 0.37 -0.68 0.26 -0.59 -0.92 0.00 0.00 175.35 173.79 3fdu s PHE 176 N -2.00 0.07 0.00 3.18 -0.12 -0.36 -4.98 117.98 113.78 3fdu s PHE 176 Ca 0.69 -0.47 0.00 0.00 -0.05 0.00 0.00 56.93 57.10 3fdu s PHE 176 Cb -0.19 0.03 0.00 0.00 -0.63 0.00 0.00 43.02 42.23 3fdu s PHE 176 CO 0.26 -0.61 0.00 0.27 -0.05 0.00 0.00 175.22 175.09 3fdu n ASN 177 N -0.12 0.31 0.03 1.98 0.23 -1.26 -1.49 115.26 114.94 3fdu n ASN 177 Ca -0.15 -0.97 -0.10 0.00 -0.53 0.00 0.00 54.58 52.83 3fdu n ASN 177 Cb 0.63 0.00 0.03 0.00 -2.08 0.00 0.00 39.78 38.36 3fdu n ASN 177 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3fdu h ALA 178 N 0.54 0.60 -0.34 -2.53 0.00 -1.87 -2.24 119.26 113.41 3fdu h ALA 178 Ca 0.00 -0.58 -0.08 0.00 0.00 0.00 0.00 54.91 54.25 3fdu h ALA 178 Cb 0.00 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3fdu h ALA 178 CO 0.00 0.73 -0.12 1.49 0.00 0.00 0.00 179.25 181.35 3fdu h GLU 179 N 0.34 0.59 -0.30 0.00 4.57 -1.95 0.10 114.58 117.94 3fdu h GLU 179 Ca -0.02 -0.18 -0.16 0.00 -1.18 0.00 0.00 59.36 57.82 3fdu h GLU 179 Cb 1.25 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.78 3fdu h GLU 179 CO 0.12 0.70 -0.46 1.15 -1.18 0.00 0.00 179.01 179.35 3fdu h THR 180 N 0.55 1.29 -0.57 0.32 2.02 -1.90 -2.19 112.91 112.42 3fdu h THR 180 Ca 0.10 -1.65 -0.09 0.00 0.77 0.00 0.00 66.41 65.54 3fdu h THR 180 Cb 0.53 1.54 -0.02 0.00 -1.74 0.00 0.00 68.15 68.46 3fdu h THR 180 CO 0.03 0.53 -0.01 0.00 0.37 0.00 0.00 175.52 176.45 3fdu h ALA 181 N 0.86 0.77 -0.20 6.16 0.00 -1.05 -1.92 119.26 123.88 3fdu h ALA 181 Ca 0.04 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.65 3fdu h ALA 181 Cb 1.03 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 3fdu h ALA 181 CO 0.10 0.61 0.11 1.25 0.00 0.00 0.00 179.25 181.32 3fdu h LEU 182 N 0.91 0.17 -1.27 0.00 5.85 -0.93 -0.59 115.31 119.46 3fdu h LEU 182 Ca 0.16 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.82 3fdu h LEU 182 Cb 0.56 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 3fdu h LEU 182 CO 0.03 0.13 -0.24 1.56 -0.34 0.00 0.00 178.44 179.58 3fdu h GLN 183 N 0.23 0.20 -0.00 1.25 4.20 -1.26 -1.99 115.11 117.74 3fdu h GLN 183 Ca 0.08 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.73 3fdu h GLN 183 Cb 0.00 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.76 3fdu h GLN 183 CO -0.04 0.43 -0.02 0.00 -0.67 0.00 0.00 178.83 178.53 3fdu n ALA 184 N -2.48 2.60 -0.84 3.87 0.00 -0.74 -4.91 120.51 118.01 3fdu n ALA 184 Ca -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.24 3fdu n ALA 184 Cb 0.34 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.33 3fdu n ALA 184 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fdu n GLY 185 N 1.19 0.80 0.21 0.00 0.00 -0.75 -3.41 105.19 103.23 3fdu n GLY 185 Ca 0.17 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.24 3fdu n GLY 185 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3fdu h LEU 186 N 0.00 0.00 -8.31 0.99 3.38 -1.36 -3.44 115.31 106.57 3fdu h LEU 186 Ca 0.00 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.38 3fdu h LEU 186 Cb 0.00 0.00 -0.31 0.00 0.09 0.00 0.00 40.66 40.44 3fdu h LEU 186 CO 0.00 0.25 -0.85 -0.69 0.09 0.00 0.00 178.44 177.24 3fdu s VAL 187 N -4.40 1.57 0.09 1.22 1.01 -1.17 -4.71 120.40 114.01 3fdu s VAL 187 Ca -0.03 -0.81 -0.03 0.00 0.00 0.00 0.00 61.98 61.11 3fdu s VAL 187 Cb 0.15 -1.33 -0.25 0.00 0.00 0.00 0.00 36.38 34.94 3fdu s VAL 187 CO 0.70 0.45 1.19 0.78 0.00 0.00 0.00 175.10 178.22 3fdu h ASN 188 N 6.08 0.39 -3.93 3.32 4.21 -0.81 -3.40 115.58 121.45 3fdu h ASN 188 Ca -0.34 -0.40 -0.01 0.00 1.21 0.00 0.00 56.30 56.76 3fdu h ASN 188 Cb 1.17 -0.13 -0.22 0.00 -1.12 0.00 0.00 38.32 38.02 3fdu h ASN 188 CO 0.48 1.28 0.24 -0.70 -1.29 0.00 0.00 177.43 177.44 3fdu s GLU 189 N -2.79 0.77 -0.25 0.81 2.12 -1.24 -5.07 118.70 113.05 3fdu s GLU 189 Ca -0.04 0.76 -0.11 0.00 0.36 0.00 0.00 54.97 55.94 3fdu s GLU 189 Cb 0.08 0.37 -0.05 0.00 0.26 0.00 0.00 34.13 34.79 3fdu s GLU 189 CO 0.87 -0.12 0.20 0.42 -0.54 0.00 0.00 175.26 176.09 3fdu s ILE 190 N 0.06 5.32 0.25 -3.70 1.01 -1.26 -2.67 121.20 120.22 3fdu s ILE 190 Ca -0.01 0.25 0.03 0.00 0.00 0.00 0.00 60.65 60.92 3fdu s ILE 190 Cb -0.04 -3.54 -0.05 0.00 0.01 0.00 0.00 42.46 38.84 3fdu s ILE 190 CO 0.00 0.30 0.03 0.68 0.00 0.00 0.00 174.94 175.96 3fdu s VAL 191 N 1.29 0.94 0.14 2.92 -7.23 -0.40 -4.99 120.40 113.07 3fdu s VAL 191 Ca 0.09 -2.02 -0.08 0.00 -1.81 0.00 0.00 61.98 58.16 3fdu s VAL 191 Cb -0.14 -2.49 -0.12 0.00 0.56 0.00 0.00 36.38 34.18 3fdu s VAL 191 CO 0.07 -0.19 1.38 1.05 -0.31 0.00 0.00 175.10 177.10 3fdu h GLU 192 N 2.39 0.68 -3.50 4.82 9.09 -1.98 -3.38 114.58 122.69 3fdu h GLU 192 Ca -0.39 -0.52 -0.62 0.00 0.05 0.00 0.00 59.36 57.89 3fdu h GLU 192 Cb 1.23 0.10 -0.40 0.00 -1.65 0.00 0.00 28.75 28.03 3fdu h GLU 192 CO 0.65 1.14 -0.72 0.34 0.05 0.00 0.00 179.01 180.46 3fdu s ASP 193 N -7.03 4.05 0.13 3.06 -1.08 -1.26 -4.95 116.67 109.59 3fdu s ASP 193 Ca -0.09 -2.32 -0.20 0.00 -0.52 0.00 0.00 52.55 49.42 3fdu s ASP 193 Cb 0.10 -1.18 -0.01 0.00 -1.46 0.00 0.00 42.92 40.37 3fdu s ASP 193 CO 0.88 -0.32 1.69 0.00 0.52 0.00 0.00 175.17 177.93 3fdu h ALA 194 N 7.23 0.07 -0.71 3.66 0.00 -1.87 -1.31 119.26 126.33 3fdu h ALA 194 Ca -0.06 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 3fdu h ALA 194 Cb 0.96 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 3fdu h ALA 194 CO 0.51 -0.52 0.18 1.88 0.00 0.00 0.00 179.25 181.30 3fdu h TYR 195 N -0.07 1.19 -0.35 0.00 0.05 -1.93 -1.12 116.97 114.73 3fdu h TYR 195 Ca 0.11 -0.14 -0.06 0.00 0.05 0.00 0.00 58.73 58.69 3fdu h TYR 195 Cb 0.23 -0.34 -0.01 0.00 1.01 0.00 0.00 36.73 37.62 3fdu h TYR 195 CO -0.25 0.96 -0.02 0.00 -1.05 0.00 0.00 178.16 177.79 3fdu h ALA 196 N 1.11 0.48 -0.40 3.88 0.00 -1.94 -1.65 119.26 120.74 3fdu h ALA 196 Ca 0.22 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3fdu h ALA 196 Cb 0.37 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3fdu h ALA 196 CO 0.00 0.27 0.24 1.15 0.00 0.00 0.00 179.25 180.91 3fdu h THR 197 N 0.44 1.12 -0.61 0.00 2.02 -1.11 -0.27 112.91 114.51 3fdu h THR 197 Ca 0.10 -0.27 0.06 0.00 0.77 0.00 0.00 66.41 67.06 3fdu h THR 197 Cb 0.50 0.59 -0.05 0.00 -1.74 0.00 0.00 68.15 67.44 3fdu h THR 197 CO 0.02 0.12 0.32 0.00 0.37 0.00 0.00 175.52 176.36 3fdu h ALA 198 N 1.11 0.80 -0.47 6.16 0.00 -1.13 -0.71 119.26 125.02 3fdu h ALA 198 Ca 0.14 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 3fdu h ALA 198 Cb -0.01 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3fdu h ALA 198 CO -0.03 -0.02 0.08 0.37 0.00 0.00 0.00 179.25 179.65 3fdu h GLN 199 N 0.60 0.78 -0.65 0.00 5.75 -0.93 -0.08 115.11 120.58 3fdu h GLN 199 Ca 0.28 -0.21 -0.05 0.00 -0.15 0.00 0.00 58.65 58.52 3fdu h GLN 199 Cb 0.19 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 28.62 3fdu h GLN 199 CO -0.19 0.79 0.21 0.00 -2.65 0.00 0.00 178.83 176.99 3fdu h ALA 200 N 0.96 0.85 -0.33 3.38 0.00 -0.73 -0.31 119.26 123.08 3fdu h ALA 200 Ca 0.14 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3fdu h ALA 200 Cb 0.38 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3fdu h ALA 200 CO 0.01 0.52 0.18 1.15 0.00 0.00 0.00 179.25 181.11 3fdu h THR 201 N 0.94 1.13 -0.60 0.00 2.02 -1.02 -1.12 112.91 114.26 3fdu h THR 201 Ca 0.21 -0.35 0.05 0.00 0.77 0.00 0.00 66.41 67.09 3fdu h THR 201 Cb 0.29 0.77 -0.05 0.00 -1.74 0.00 0.00 68.15 67.42 3fdu h THR 201 CO -0.01 0.14 0.33 0.00 0.37 0.00 0.00 175.52 176.35 3fdu h ALA 202 N 1.05 0.78 -0.63 6.16 0.00 -0.54 -0.24 119.26 125.84 3fdu h ALA 202 Ca 0.11 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 3fdu h ALA 202 Cb 0.06 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3fdu h ALA 202 CO -0.02 0.01 0.10 1.96 0.00 0.00 0.00 179.25 181.30 3fdu h GLN 203 N 0.63 1.04 -0.59 0.00 4.20 -0.94 0.21 115.11 119.65 3fdu h GLN 203 Ca 0.26 -0.27 0.01 0.00 0.06 0.00 0.00 58.65 58.71 3fdu h GLN 203 Cb 0.13 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.76 3fdu h GLN 203 CO -0.16 0.96 0.39 1.25 -0.67 0.00 0.00 178.83 180.60 3fdu h HIS 204 N 0.97 0.74 -0.30 2.96 2.76 -0.46 -2.66 115.15 119.15 3fdu h HIS 204 Ca 0.19 0.02 -0.12 0.00 -2.20 0.00 0.00 60.37 58.26 3fdu h HIS 204 Cb 0.43 -0.25 -0.01 0.00 1.55 0.00 0.00 27.41 29.13 3fdu h HIS 204 CO 0.03 0.46 -0.31 -0.07 -1.30 0.00 0.00 177.93 176.74 3fdu h LEU 205 N 0.79 0.65 -1.75 0.26 3.38 -0.74 -2.62 115.31 115.28 3fdu h LEU 205 Ca 0.22 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3fdu h LEU 205 Cb -0.08 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.49 3fdu h LEU 205 CO -0.05 0.92 0.00 0.71 0.09 0.00 0.00 178.44 180.11 3fdu h THR 206 N 0.54 0.00 -0.00 0.22 1.35 -0.81 -2.46 112.91 111.75 3fdu h THR 206 Ca 0.06 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.65 3fdu h THR 206 Cb 0.80 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 68.40 3fdu h THR 206 CO 0.07 0.00 -0.13 0.00 -0.25 0.00 0.00 175.52 175.20 3fdu n ALA 207 N -2.01 2.77 -2.67 6.62 0.00 -0.99 -4.91 120.51 119.33 3fdu n ALA 207 Ca -0.00 -0.24 -0.22 0.00 0.00 0.00 0.00 53.44 52.98 3fdu n ALA 207 Cb 0.20 -1.34 -0.01 0.00 0.00 0.00 0.00 19.45 18.30 3fdu n ALA 207 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3fdu s LEU 208 N -2.64 4.05 0.15 0.00 1.43 -0.93 -5.03 118.68 115.72 3fdu s LEU 208 Ca 0.24 0.15 -0.31 0.00 -1.03 0.00 0.00 54.13 53.18 3fdu s LEU 208 Cb 0.20 -3.01 -0.10 0.00 0.03 0.00 0.00 46.19 43.31 3fdu s LEU 208 CO 0.51 -0.31 1.60 -2.84 0.23 0.00 0.00 176.35 175.54 3fdu s PRO 209 N -4.21 4.20 0.17 1.29 0.02 -1.26 -4.91 135.00 130.31 3fdu s PRO 209 Ca 0.40 2.38 -0.13 0.00 0.02 0.00 0.00 61.00 63.68 3fdu s PRO 209 Cb -0.09 -3.23 0.07 0.00 0.02 0.00 0.00 34.50 31.27 3fdu s PRO 209 CO 0.33 -0.65 1.77 1.25 -0.33 0.00 0.00 177.00 179.37 3fdu h LEU 210 N 7.12 0.74 -1.12 -5.54 5.85 -1.94 -2.51 115.31 117.91 3fdu h LEU 210 Ca -0.43 -0.11 -0.09 0.00 0.84 0.00 0.00 57.88 58.09 3fdu h LEU 210 Cb 1.20 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.03 3fdu h LEU 210 CO 0.92 0.64 -0.43 0.00 -0.34 0.00 0.00 178.44 179.23 3fdu h ALA 211 N 1.13 1.27 -0.30 1.25 0.00 -1.99 -0.39 119.26 120.22 3fdu h ALA 211 Ca 0.20 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 3fdu h ALA 211 Cb 0.08 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3fdu h ALA 211 CO -0.03 0.55 0.04 0.77 0.00 0.00 0.00 179.25 180.57 3fdu h SER 212 N 0.02 0.49 -0.30 0.00 0.02 -1.88 0.27 113.55 112.16 3fdu h SER 212 Ca -0.00 -0.27 -0.15 0.00 -0.84 0.00 0.00 61.79 60.53 3fdu h SER 212 Cb 0.77 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.17 3fdu h SER 212 CO 0.06 0.64 -0.36 -0.07 -1.14 0.00 0.00 176.83 175.95 3fdu h LEU 213 N 0.32 0.89 -0.08 5.07 3.38 -1.26 -1.81 115.31 121.83 3fdu h LEU 213 Ca 0.09 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 3fdu h LEU 213 Cb 0.36 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 3fdu h LEU 213 CO 0.01 1.15 0.00 0.50 0.09 0.00 0.00 178.44 180.19 3fdu h LYS 214 N 0.70 0.14 -0.19 1.13 3.64 -0.95 -1.50 116.57 119.53 3fdu h LYS 214 Ca 0.06 -0.04 -0.11 0.00 -1.27 0.00 0.00 60.65 59.29 3fdu h LYS 214 Cb 0.92 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.72 3fdu h LYS 214 CO 0.09 0.40 -0.36 1.96 -2.27 0.00 0.00 179.45 179.27 3fdu h GLN 215 N -0.14 0.41 0.06 1.90 1.08 -0.98 -0.70 115.11 116.74 3fdu h GLN 215 Ca 0.02 -0.19 -0.00 0.00 -1.45 0.00 0.00 58.65 57.04 3fdu h GLN 215 Cb 0.34 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.76 3fdu h GLN 215 CO 0.00 0.72 -0.03 1.15 -0.95 0.00 0.00 178.83 179.72 3fdu h THR 216 N 0.35 1.10 -0.93 -0.54 2.02 -1.28 -1.30 112.91 112.32 3fdu h THR 216 Ca 0.04 -0.53 0.04 0.00 0.77 0.00 0.00 66.41 66.73 3fdu h THR 216 Cb 0.80 1.45 -0.06 0.00 -1.74 0.00 0.00 68.15 68.60 3fdu h THR 216 CO 0.06 0.13 0.60 0.50 0.37 0.00 0.00 175.52 177.19 3fdu h LYS 217 N -0.32 1.11 -0.54 6.66 3.64 -1.16 -1.24 116.57 124.73 3fdu h LYS 217 Ca -0.01 -0.07 -0.09 0.00 -1.27 0.00 0.00 60.65 59.21 3fdu h LYS 217 Cb 0.28 -0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 3fdu h LYS 217 CO 0.01 0.74 -0.04 0.00 -2.27 0.00 0.00 179.45 177.90 3fdu h ALA 218 N 1.40 0.91 -0.64 5.00 0.00 -0.97 -0.08 119.26 124.88 3fdu h ALA 218 Ca 0.38 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3fdu h ALA 218 Cb 0.05 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3fdu h ALA 218 CO -0.14 0.64 0.30 -0.07 0.00 0.00 0.00 179.25 179.99 3fdu h LEU 219 N 0.87 0.84 -1.15 0.00 3.38 -0.95 -2.06 115.31 116.24 3fdu h LEU 219 Ca 0.15 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 3fdu h LEU 219 Cb 0.56 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 3fdu h LEU 219 CO 0.03 0.74 0.00 0.24 0.09 0.00 0.00 178.44 179.54 3fdu h MET 220 N 0.88 0.60 -0.93 1.13 2.86 -0.76 -2.77 114.93 115.93 3fdu h MET 220 Ca 0.22 -0.14 -0.61 0.00 -2.06 0.00 0.00 59.70 57.11 3fdu h MET 220 Cb 0.13 -0.08 -0.30 0.00 0.06 0.00 0.00 31.60 31.40 3fdu h MET 220 CO -0.03 0.62 0.56 1.63 1.06 0.00 0.00 176.91 180.75 3fdu n LYS 221 N -4.26 2.72 0.11 1.72 5.02 -0.08 -4.63 118.16 118.75 3fdu n LYS 221 Ca 0.02 -3.37 0.18 0.00 -2.02 0.00 0.00 58.31 53.11 3fdu n LYS 221 Cb 0.26 -2.25 0.74 0.00 -0.02 0.00 0.00 35.03 33.76 3fdu n LYS 221 CO 0.00 0.00 0.00 1.12 -0.52 0.00 0.00 177.40 178.00 3fdu h HIS 222 N 1.84 0.00 -0.82 2.13 2.07 -1.08 -1.34 115.15 117.95 3fdu h HIS 222 Ca 0.56 0.00 -0.35 0.00 -2.85 0.00 0.00 60.37 57.73 3fdu h HIS 222 Cb 1.24 0.00 -0.21 0.00 2.57 0.00 0.00 27.41 31.01 3fdu h HIS 222 CO 1.36 0.00 0.44 -0.40 -3.07 0.00 0.00 177.93 176.26 3fdu n ASP 223 N -4.09 4.20 -0.29 3.10 5.75 -1.26 -4.67 116.55 119.29 3fdu n ASP 223 Ca 0.05 -3.33 0.04 0.00 -0.01 0.00 0.00 54.79 51.54 3fdu n ASP 223 Cb 0.46 -0.78 0.18 0.00 -1.03 0.00 0.00 41.12 39.95 3fdu n ASP 223 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 3fdu h LEU 224 N 1.78 0.64 -0.99 -2.12 5.85 -1.62 -0.99 115.31 117.86 3fdu h LEU 224 Ca 0.43 0.06 0.19 0.00 0.84 0.00 0.00 57.88 59.40 3fdu h LEU 224 Cb 2.52 -0.06 -0.11 0.00 0.37 0.00 0.00 40.66 43.38 3fdu h LEU 224 CO 0.88 0.35 0.59 0.44 -0.34 0.00 0.00 178.44 180.35 3fdu h ASP 225 N 0.75 0.75 0.93 1.25 3.32 -1.86 0.31 116.42 121.87 3fdu h ASP 225 Ca 0.41 0.10 -0.22 0.00 0.02 0.00 0.00 57.03 57.34 3fdu h ASP 225 Cb 0.43 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.92 3fdu h ASP 225 CO -0.27 0.26 -1.03 1.56 -1.72 0.00 0.00 179.24 178.04 3fdu h GLN 226 N 0.74 0.04 -0.32 3.56 7.50 -1.58 -1.76 115.11 123.29 3fdu h GLN 226 Ca 0.57 -0.07 -0.02 0.00 0.50 0.00 0.00 58.65 59.63 3fdu h GLN 226 Cb 0.88 0.03 -0.01 0.00 0.05 0.00 0.00 27.48 28.43 3fdu h GLN 226 CO -0.39 1.02 0.13 0.82 -1.50 0.00 0.00 178.83 178.92 3fdu h ILE 227 N 0.01 1.18 -0.93 2.54 2.04 -0.64 -1.74 117.51 119.97 3fdu h ILE 227 Ca -0.03 -0.54 0.03 0.00 1.00 0.00 0.00 64.86 65.32 3fdu h ILE 227 Cb 1.78 0.94 -0.05 0.00 -0.74 0.00 0.00 36.82 38.75 3fdu h ILE 227 CO 0.14 0.19 0.61 0.40 0.00 0.00 0.00 178.15 179.49 3fdu h ILE 228 N 0.38 1.19 -0.37 -0.67 1.08 -0.78 -0.56 117.51 117.77 3fdu h ILE 228 Ca 0.11 -0.41 -0.16 0.00 -0.39 0.00 0.00 64.86 64.00 3fdu h ILE 228 Cb 0.17 -0.12 -0.01 0.00 -3.07 0.00 0.00 36.82 33.80 3fdu h ILE 228 CO -0.01 0.22 -0.40 -0.33 -0.69 0.00 0.00 178.15 176.94 3fdu h GLU 229 N 1.20 0.93 -0.41 2.37 5.08 -1.16 -1.45 114.58 121.13 3fdu h GLU 229 Ca 0.36 -0.50 0.01 0.00 -1.00 0.00 0.00 59.36 58.23 3fdu h GLU 229 Cb -0.04 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 3fdu h GLU 229 CO -0.10 1.15 0.25 0.00 -1.00 0.00 0.00 179.01 179.32 3fdu h ILE 231 N 0.51 1.18 -0.13 0.00 2.04 -0.78 -0.56 117.51 119.77 3fdu h ILE 231 Ca 0.16 -0.42 -0.14 0.00 1.00 0.00 0.00 64.86 65.47 3fdu h ILE 231 Cb -0.01 -0.14 0.00 0.00 -0.74 0.00 0.00 36.82 35.94 3fdu h ILE 231 CO -0.07 0.22 -0.45 0.44 0.00 0.00 0.00 178.15 178.30 3fdu h ASP 232 N 1.21 0.62 -0.28 1.72 3.32 -1.04 -0.86 116.42 121.10 3fdu h ASP 232 Ca 0.37 -0.61 0.04 0.00 0.02 0.00 0.00 57.03 56.85 3fdu h ASP 232 Cb -0.04 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.29 3fdu h ASP 232 CO -0.11 1.12 0.05 -0.74 -1.72 0.00 0.00 179.24 177.84 3fdu h HIS 233 N 0.15 0.08 -0.78 4.55 2.76 -0.37 -2.00 115.15 119.56 3fdu h HIS 233 Ca -0.02 0.02 0.05 0.00 -2.20 0.00 0.00 60.37 58.22 3fdu h HIS 233 Cb 1.07 0.01 -0.05 0.00 1.55 0.00 0.00 27.41 29.99 3fdu h HIS 233 CO 0.11 0.01 0.47 0.93 -1.30 0.00 0.00 177.93 178.15 3fdu h GLU 234 N 0.15 0.86 -0.49 5.26 5.08 -1.05 -2.65 114.58 121.75 3fdu h GLU 234 Ca 0.13 -0.05 0.08 0.00 -1.00 0.00 0.00 59.36 58.52 3fdu h GLU 234 Cb 0.14 -0.19 -0.06 0.00 0.50 0.00 0.00 28.75 29.13 3fdu h GLU 234 CO -0.18 0.57 0.12 0.00 -1.00 0.00 0.00 179.01 178.52 3fdu h ALA 235 N 1.36 0.56 -0.91 3.43 0.00 -0.47 0.13 119.26 123.37 3fdu h ALA 235 Ca 0.33 0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.35 3fdu h ALA 235 Cb 0.12 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 3fdu h ALA 235 CO -0.15 -0.28 0.60 1.05 0.00 0.00 0.00 179.25 180.46 3fdu h GLU 236 N 0.27 1.17 -0.24 0.00 4.11 -1.03 -1.36 114.58 117.50 3fdu h GLU 236 Ca 0.24 -0.07 -0.11 0.00 0.07 0.00 0.00 59.36 59.49 3fdu h GLU 236 Cb 0.30 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 3fdu h GLU 236 CO -0.29 0.77 -0.28 0.82 0.07 0.00 0.00 179.01 180.10 3fdu h ILE 237 N 1.21 1.32 -0.50 -1.06 2.04 -1.26 -2.88 117.51 116.37 3fdu h ILE 237 Ca 0.34 -1.47 0.04 0.00 1.00 0.00 0.00 64.86 64.78 3fdu h ILE 237 Cb -0.09 1.70 -0.04 0.00 -0.74 0.00 0.00 36.82 37.64 3fdu h ILE 237 CO -0.08 0.46 0.26 0.15 0.00 0.00 0.00 178.15 178.94 3fdu h PHE 238 N 0.33 0.48 0.00 1.37 3.57 -0.17 -2.25 116.94 120.27 3fdu h PHE 238 Ca 0.03 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.46 3fdu h PHE 238 Cb 0.85 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.44 3fdu h PHE 238 CO 0.08 0.24 -0.44 0.52 -2.23 0.00 0.00 178.31 176.48 3fdu h MET 239 N 0.51 0.00 -0.34 1.11 2.86 -1.23 -0.38 114.93 117.46 3fdu h MET 239 Ca 0.22 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.82 3fdu h MET 239 Cb 0.11 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.76 3fdu h MET 239 CO -0.14 0.44 0.06 1.96 1.06 0.00 0.00 176.91 180.29 3fdu h GLN 240 N 0.00 0.56 0.00 1.72 7.50 -1.26 -2.88 115.11 120.75 3fdu h GLN 240 Ca -0.00 -0.15 -0.03 0.00 0.50 0.00 0.00 58.65 58.97 3fdu h GLN 240 Cb 0.85 -0.07 -0.00 0.00 0.05 0.00 0.00 27.48 28.31 3fdu h GLN 240 CO 0.06 0.64 -0.13 0.00 -1.50 0.00 0.00 178.83 177.89 3fdu h ARG 241 N 0.39 0.00 -0.42 1.46 2.47 -0.78 -1.67 114.38 115.83 3fdu h ARG 241 Ca 0.10 0.00 0.04 0.00 -1.26 0.00 0.00 59.98 58.86 3fdu h ARG 241 Cb 0.35 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.65 3fdu h ARG 241 CO 0.01 0.13 0.28 0.28 0.56 0.00 0.00 179.97 181.23 3fdu h VAL 242 N 0.00 1.02 -2.12 2.04 2.07 -0.86 -2.63 116.25 115.76 3fdu h VAL 242 Ca -0.00 -0.15 -0.80 0.00 0.82 0.00 0.00 66.70 66.58 3fdu h VAL 242 Cb 0.25 0.55 -0.26 0.00 -1.52 0.00 0.00 31.29 30.31 3fdu h VAL 242 CO 0.02 0.08 1.13 0.00 0.02 0.00 0.00 177.57 178.81 3fdu n GLN 243 N -4.48 4.95 -4.05 1.57 10.64 -0.63 -4.88 117.38 120.51 3fdu n GLN 243 Ca 0.05 -4.39 -0.12 0.00 -1.83 0.00 0.00 57.00 50.71 3fdu n GLN 243 Cb 0.17 -2.45 -0.11 0.00 -0.86 0.00 0.00 30.24 26.99 3fdu n GLN 243 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.06 173.69 3fdu s SER 244 N -1.17 0.74 0.26 2.61 1.04 -0.99 -5.04 113.70 111.15 3fdu s SER 244 Ca 0.42 -0.55 -0.03 0.00 0.48 0.00 0.00 55.95 56.28 3fdu s SER 244 Cb 0.23 0.05 0.44 0.00 0.10 0.00 0.00 66.02 66.84 3fdu s SER 244 CO -0.17 -0.23 1.83 1.55 0.98 0.00 0.00 173.24 177.20 3fdu h PRO 245 N 4.51 0.86 -0.64 4.02 0.13 -1.93 -1.14 132.00 137.81 3fdu h PRO 245 Ca -0.35 -0.05 0.12 0.00 -0.87 0.00 0.00 66.00 64.85 3fdu h PRO 245 Cb 1.20 -0.19 -0.12 0.00 0.13 0.00 0.00 31.00 32.02 3fdu h PRO 245 CO 0.41 0.57 -0.27 0.93 -0.23 0.00 0.00 178.00 179.41 3fdu h GLU 246 N 0.89 -0.09 -0.41 0.86 3.07 -1.92 -0.35 114.58 116.63 3fdu h GLU 246 Ca 0.43 0.01 0.03 0.00 -0.50 0.00 0.00 59.36 59.32 3fdu h GLU 246 Cb 0.37 0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.27 3fdu h GLU 246 CO -0.24 -0.06 0.21 1.98 -1.40 0.00 0.00 179.01 179.49 3fdu h MET 247 N -0.10 0.41 0.43 2.33 1.85 -1.36 -3.06 114.93 115.43 3fdu h MET 247 Ca 0.27 -0.02 -0.02 0.00 -0.61 0.00 0.00 59.70 59.32 3fdu h MET 247 Cb 0.54 -0.09 -0.00 0.00 0.43 0.00 0.00 31.60 32.47 3fdu h MET 247 CO -0.70 0.27 -0.26 -0.07 -0.40 0.00 0.00 176.91 175.75 3fdu h LEU 248 N 0.42 -0.65 0.00 3.39 4.07 -0.85 -3.47 115.31 118.22 3fdu h LEU 248 Ca 0.17 0.04 0.00 0.00 0.08 0.00 0.00 57.88 58.17 3fdu h LEU 248 Cb 0.07 0.19 0.00 0.00 1.08 0.00 0.00 40.66 42.00 3fdu h LEU 248 CO -0.12 -0.41 0.00 -1.84 -1.08 0.00 0.00 178.44 174.99