#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 -0.49 0.10 1.96 3.76 -1.26 -5.14 115.29 114.22 3fdu s HIS 10 Ca 0.00 1.11 -0.35 0.00 -0.15 0.00 0.00 55.06 55.66 3fdu s HIS 10 Cb 0.00 0.20 -0.17 0.00 1.11 0.00 0.00 32.58 33.71 3fdu s HIS 10 CO 0.00 -0.33 1.10 -2.30 -0.85 0.00 0.00 174.74 172.37 3fdu n PRO 11 N 2.31 0.68 -0.95 8.40 -0.02 -1.26 -2.79 135.00 141.37 3fdu n PRO 11 Ca -0.16 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 3fdu n PRO 11 Cb 0.57 -1.72 0.00 0.00 -0.02 0.00 0.00 33.50 32.33 3fdu n PRO 11 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3fdu n HIS 12 N 1.57 0.00 -3.86 6.00 8.25 -1.26 -4.98 115.22 120.93 3fdu n HIS 12 Ca 0.18 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.36 3fdu n HIS 12 Cb 0.18 -0.44 -0.17 0.00 1.12 0.00 0.00 29.99 30.68 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 0.00 1.37 0.11 2.41 2.96 -1.12 0.92 118.68 125.34 3fdu s LEU 13 Ca 0.00 -0.54 -0.08 0.00 -0.22 0.00 0.00 54.13 53.29 3fdu s LEU 13 Cb 0.00 -0.81 -0.06 0.00 0.50 0.00 0.00 46.19 45.82 3fdu s LEU 13 CO 0.00 -0.19 0.40 0.20 -1.32 0.00 0.00 176.35 175.44 3fdu s ASN 14 N 1.71 6.57 -0.01 3.68 0.02 -0.33 -4.58 114.94 122.00 3fdu s ASN 14 Ca 0.02 0.70 0.01 0.00 -1.02 0.00 0.00 52.86 52.58 3fdu s ASN 14 Cb -0.15 -2.14 0.00 0.00 0.02 0.00 0.00 41.25 38.98 3fdu s ASN 14 CO -0.07 0.11 -0.05 0.00 0.02 0.00 0.00 177.10 177.11 3fdu s ALA 15 N -1.54 0.42 -0.07 0.60 0.00 -1.26 -0.86 121.76 119.06 3fdu s ALA 15 Ca 0.37 -0.17 -0.03 0.00 0.00 0.00 0.00 51.96 52.13 3fdu s ALA 15 Cb -0.13 -0.14 0.04 0.00 0.00 0.00 0.00 23.12 22.89 3fdu s ALA 15 CO 0.21 0.08 0.15 1.21 0.00 0.00 0.00 175.76 177.41 3fdu s ASN 16 N 0.03 -0.08 -0.11 0.00 2.47 -0.24 -4.99 114.94 112.02 3fdu s ASN 16 Ca 0.00 0.30 0.02 0.00 0.42 0.00 0.00 52.86 53.60 3fdu s ASN 16 Cb -0.04 0.19 -0.01 0.00 -1.45 0.00 0.00 41.25 39.94 3fdu s ASN 16 CO -0.00 -0.15 -0.18 -0.22 -3.72 0.00 0.00 177.10 172.82 3fdu s LEU 17 N 1.22 2.43 -0.24 3.21 2.96 -1.26 0.09 118.68 127.09 3fdu s LEU 17 Ca -0.09 -0.42 -0.13 0.00 -0.22 0.00 0.00 54.13 53.27 3fdu s LEU 17 Cb -0.12 -1.51 0.08 0.00 0.50 0.00 0.00 46.19 45.14 3fdu s LEU 17 CO -0.06 0.18 0.58 -1.61 -1.32 0.00 0.00 176.35 174.12 3fdu s GLU 18 N 0.23 0.58 -1.53 1.98 8.01 -0.28 -4.94 118.70 122.75 3fdu s GLU 18 Ca -0.12 1.09 0.00 0.00 0.01 0.00 0.00 54.97 55.95 3fdu s GLU 18 Cb -0.16 0.14 0.00 0.00 -4.31 0.00 0.00 34.13 29.80 3fdu s GLU 18 CO 0.06 -0.16 0.00 0.41 0.01 0.00 0.00 175.26 175.58 3fdu n GLY 19 N 4.42 1.49 1.32 -1.39 0.00 -1.26 -0.64 105.19 109.13 3fdu n GLY 19 Ca -0.20 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.12 1.30 3.60 -0.02 0.00 -1.26 -4.90 105.19 102.79 3fdu n GLY 20 Ca -0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.45 4.90 -0.35 1.61 1.01 0.19 -1.16 120.40 124.15 3fdu s VAL 21 Ca 0.00 0.90 -0.18 0.00 0.00 0.00 0.00 61.98 62.70 3fdu s VAL 21 Cb 0.00 -4.04 -0.00 0.00 0.00 0.00 0.00 36.38 32.33 3fdu s VAL 21 CO 0.00 -0.19 0.50 -0.22 0.00 0.00 0.00 175.10 175.19 3fdu s LEU 22 N 2.70 4.34 -0.26 3.92 2.96 -0.47 -1.12 118.68 130.76 3fdu s LEU 22 Ca 0.27 -0.02 -0.10 0.00 -0.22 0.00 0.00 54.13 54.05 3fdu s LEU 22 Cb -0.15 -2.57 -0.05 0.00 0.50 0.00 0.00 46.19 43.92 3fdu s LEU 22 CO 0.12 -0.47 0.17 -0.89 -1.32 0.00 0.00 176.35 173.96 3fdu s THR 23 N 2.37 5.28 -0.17 3.68 2.01 0.11 -0.56 115.64 128.36 3fdu s THR 23 Ca 0.18 0.15 -0.05 0.00 0.31 0.00 0.00 61.69 62.28 3fdu s THR 23 Cb -0.16 -3.48 -0.03 0.00 0.01 0.00 0.00 72.50 68.84 3fdu s THR 23 CO 0.13 0.31 0.01 -0.76 -0.69 0.00 0.00 174.62 173.62 3fdu s LEU 24 N 1.35 3.49 -0.15 4.42 1.43 0.53 -1.08 118.68 128.66 3fdu s LEU 24 Ca 0.07 -0.05 -0.00 0.00 -1.03 0.00 0.00 54.13 53.12 3fdu s LEU 24 Cb -0.15 -1.86 0.03 0.00 0.03 0.00 0.00 46.19 44.24 3fdu s LEU 24 CO 0.07 0.16 -0.08 0.00 0.23 0.00 0.00 176.35 176.73 3fdu s ALA 25 N 0.41 1.58 0.08 4.21 0.00 -0.04 -1.23 121.76 126.77 3fdu s ALA 25 Ca -0.01 -0.81 -0.31 0.00 0.00 0.00 0.00 51.96 50.84 3fdu s ALA 25 Cb -0.13 -1.06 -0.06 0.00 0.00 0.00 0.00 23.12 21.86 3fdu s ALA 25 CO 0.02 -0.59 1.26 0.42 0.00 0.00 0.00 175.76 176.87 3fdu s ILE 26 N 1.60 3.78 -0.51 0.00 1.01 -0.09 -1.19 121.20 125.80 3fdu s ILE 26 Ca 0.03 1.28 0.07 0.00 0.00 0.00 0.00 60.65 62.03 3fdu s ILE 26 Cb -0.14 -3.82 0.28 0.00 0.01 0.00 0.00 42.46 38.79 3fdu s ILE 26 CO -0.09 0.10 0.71 -3.20 0.00 0.00 0.00 174.94 172.46 3fdu n ASN 27 N 3.91 2.29 -2.76 3.58 5.15 0.26 -2.88 115.26 124.81 3fdu n ASN 27 Ca 0.10 -3.18 -0.15 0.00 -0.60 0.00 0.00 54.58 50.75 3fdu n ASN 27 Cb 0.45 -0.63 0.01 0.00 -0.53 0.00 0.00 39.78 39.07 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 0.74 1.57 0.19 1.20 0.63 -1.26 -4.35 116.66 115.38 3fdu n ARG 28 Ca 0.27 -3.56 0.05 0.00 -0.92 0.00 0.00 57.85 53.69 3fdu n ARG 28 Cb 0.48 -1.55 0.51 0.00 0.45 0.00 0.00 32.46 32.36 3fdu n ARG 28 CO 0.00 0.00 0.00 -1.00 -2.51 0.00 0.00 177.63 174.12 3fdu h PRO 29 N 2.94 0.10 0.00 -0.14 0.13 -1.93 -0.73 132.00 132.36 3fdu h PRO 29 Ca 0.02 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3fdu h PRO 29 Cb 1.06 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.17 3fdu h PRO 29 CO 0.57 0.18 0.00 1.05 -0.23 0.00 0.00 178.00 179.57 3fdu h GLU 30 N 0.09 0.00 -0.27 0.86 9.09 -2.03 0.15 114.58 122.48 3fdu h GLU 30 Ca 0.02 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.43 3fdu h GLU 30 Cb 0.20 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.30 3fdu h GLU 30 CO 0.01 0.00 0.00 0.00 0.05 0.00 0.00 179.01 179.07 3fdu n ALA 31 N -2.02 2.57 -3.39 1.06 0.00 -0.49 -4.95 120.51 113.29 3fdu n ALA 31 Ca -0.02 -1.76 -0.25 0.00 0.00 0.00 0.00 53.44 51.41 3fdu n ALA 31 Cb 0.12 -0.55 0.02 0.00 0.00 0.00 0.00 19.45 19.04 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 -0.12 -4.44 -2.15 0.00 5.02 0.53 -2.03 118.16 114.98 3fdu n LYS 32 Ca 0.16 0.64 -0.19 0.00 -2.02 0.00 0.00 58.31 56.90 3fdu n LYS 32 Cb 0.65 -5.45 -0.03 0.00 -0.02 0.00 0.00 35.03 30.19 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 -2.50 -5.25 -4.70 4.39 3.02 -0.40 -0.88 115.26 108.95 3fdu n ASN 33 Ca -0.03 0.17 -0.43 0.00 -0.03 0.00 0.00 54.58 54.25 3fdu n ASN 33 Cb 0.56 -4.47 -0.02 0.00 -0.61 0.00 0.00 39.78 35.24 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 -1.11 1.55 -2.88 5.41 0.00 -0.86 -3.88 120.51 118.74 3fdu n ALA 34 Ca -0.21 0.39 -0.34 0.00 0.00 0.00 0.00 53.44 53.27 3fdu n ALA 34 Cb 0.65 -2.32 -0.05 0.00 0.00 0.00 0.00 19.45 17.73 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 -0.42 4.31 0.26 0.00 1.43 0.29 -4.75 118.68 119.81 3fdu s LEU 35 Ca 0.63 0.36 0.08 0.00 -1.03 0.00 0.00 54.13 54.17 3fdu s LEU 35 Cb -0.58 -2.40 -0.05 0.00 0.03 0.00 0.00 46.19 43.18 3fdu s LEU 35 CO 0.53 0.31 -0.10 -0.72 0.23 0.00 0.00 176.35 176.60 3fdu s TYR 36 N -1.22 1.96 0.03 0.29 -0.85 -1.26 0.10 117.35 116.41 3fdu s TYR 36 Ca 0.23 -0.61 -0.06 0.00 -0.52 0.00 0.00 57.07 56.11 3fdu s TYR 36 Cb -0.12 -1.03 -0.01 0.00 0.38 0.00 0.00 41.96 41.17 3fdu s TYR 36 CO 0.14 0.37 0.52 0.41 -1.52 0.00 0.00 175.55 175.47 3fdu n GLY 37 N -0.55 -1.20 0.34 5.49 0.00 -1.26 -0.74 105.19 107.27 3fdu n GLY 37 Ca -0.06 0.37 0.01 0.00 0.00 0.00 0.00 46.02 46.33 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 0.91 -0.30 1.61 5.08 -1.99 -2.66 114.58 117.22 3fdu h GLU 38 Ca 0.03 -0.06 -0.13 0.00 -1.00 0.00 0.00 59.36 58.20 3fdu h GLU 38 Cb 0.08 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.13 3fdu h GLU 38 CO -0.19 0.61 -0.31 1.25 -1.00 0.00 0.00 179.01 179.38 3fdu h LEU 39 N 0.93 0.79 -0.67 1.33 5.85 -1.32 0.52 115.31 122.74 3fdu h LEU 39 Ca 0.25 -0.47 0.14 0.00 0.84 0.00 0.00 57.88 58.64 3fdu h LEU 39 Cb -0.09 -0.22 -0.11 0.00 0.37 0.00 0.00 40.66 40.61 3fdu h LEU 39 CO -0.05 1.10 0.01 1.88 -0.34 0.00 0.00 178.44 181.04 3fdu h TYR 40 N 0.49 -0.03 -0.33 1.25 0.05 -1.26 -1.86 116.97 115.29 3fdu h TYR 40 Ca 0.05 0.05 -0.11 0.00 0.05 0.00 0.00 58.73 58.76 3fdu h TYR 40 Cb 0.88 0.12 -0.01 0.00 1.01 0.00 0.00 36.73 38.72 3fdu h TYR 40 CO 0.07 -0.18 -0.26 -0.07 -1.05 0.00 0.00 178.16 176.67 3fdu h LEU 41 N 0.12 0.67 -0.52 3.88 3.38 -1.05 -2.22 115.31 119.57 3fdu h LEU 41 Ca 0.36 -0.25 -0.11 0.00 0.09 0.00 0.00 57.88 57.97 3fdu h LEU 41 Cb 0.60 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 3fdu h LEU 41 CO -0.57 0.91 -0.10 -0.50 0.09 0.00 0.00 178.44 178.27 3fdu h TRP 42 N 0.57 1.11 -0.68 1.13 6.55 -0.36 -1.39 115.95 122.88 3fdu h TRP 42 Ca 0.08 -0.23 -0.01 0.00 0.95 0.00 0.00 58.89 59.67 3fdu h TRP 42 Cb 0.74 -0.27 -0.03 0.00 -0.86 0.00 0.00 29.16 28.74 3fdu h TRP 42 CO 0.03 1.04 0.37 0.82 -1.05 0.00 0.00 178.44 179.65 3fdu h ILE 43 N 0.86 1.21 -0.55 1.49 2.04 -1.28 -0.99 117.51 120.29 3fdu h ILE 43 Ca 0.14 -0.53 -0.09 0.00 1.00 0.00 0.00 64.86 65.37 3fdu h ILE 43 Cb 0.66 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 3fdu h ILE 43 CO 0.05 0.23 -0.02 0.00 0.00 0.00 0.00 178.15 178.41 3fdu h ALA 44 N 1.18 0.74 -0.50 1.87 0.00 -1.22 -1.83 119.26 119.51 3fdu h ALA 44 Ca 0.24 -0.31 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 3fdu h ALA 44 Cb 0.04 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3fdu h ALA 44 CO -0.04 0.58 -0.12 -0.22 0.00 0.00 0.00 179.25 179.46 3fdu h LYS 45 N 0.86 0.97 -0.68 0.00 3.64 -1.15 -0.93 116.57 119.29 3fdu h LYS 45 Ca 0.15 -0.37 0.04 0.00 -1.27 0.00 0.00 60.65 59.20 3fdu h LYS 45 Cb 0.56 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.29 3fdu h LYS 45 CO 0.03 1.04 0.45 0.00 -2.27 0.00 0.00 179.45 178.70 3fdu h ALA 46 N 0.90 1.64 -0.16 5.00 0.00 -0.78 -0.23 119.26 125.63 3fdu h ALA 46 Ca 0.13 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 3fdu h ALA 46 Cb 0.68 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 3fdu h ALA 46 CO 0.05 0.29 -0.20 -0.07 0.00 0.00 0.00 179.25 179.32 3fdu h LEU 47 N 0.79 0.45 -0.82 0.00 3.38 -0.81 -0.83 115.31 117.48 3fdu h LEU 47 Ca 0.27 -0.51 0.11 0.00 0.09 0.00 0.00 57.88 57.85 3fdu h LEU 47 Cb 0.10 -0.13 -0.08 0.00 0.09 0.00 0.00 40.66 40.64 3fdu h LEU 47 CO -0.08 0.86 0.45 0.44 0.09 0.00 0.00 178.44 180.20 3fdu h ASP 48 N 0.04 0.61 -0.16 -0.43 3.32 -0.81 -2.35 116.42 116.64 3fdu h ASP 48 Ca 0.02 0.06 -0.15 0.00 0.02 0.00 0.00 57.03 56.99 3fdu h ASP 48 Cb 0.76 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.26 3fdu h ASP 48 CO 0.05 0.33 -0.47 -0.33 -1.72 0.00 0.00 179.24 177.10 3fdu h GLU 49 N 0.72 0.60 -0.99 3.56 5.08 -0.93 -3.11 114.58 119.51 3fdu h GLU 49 Ca 0.41 -0.43 0.18 0.00 -1.00 0.00 0.00 59.36 58.51 3fdu h GLU 49 Cb 0.44 0.07 -0.10 0.00 0.50 0.00 0.00 28.75 29.67 3fdu h GLU 49 CO -0.28 1.05 0.62 0.00 -1.00 0.00 0.00 179.01 179.40 3fdu h ALA 50 N 0.55 1.71 -0.57 3.43 0.00 -1.00 0.73 119.26 124.12 3fdu h ALA 50 Ca -0.01 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 3fdu h ALA 50 Cb 1.08 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 3fdu h ALA 50 CO 0.10 -0.04 0.07 0.22 0.00 0.00 0.00 179.25 179.60 3fdu h ASP 51 N 0.77 0.87 0.84 0.00 3.58 -1.37 -2.30 116.42 118.82 3fdu h ASP 51 Ca 0.55 -0.20 0.00 0.00 0.42 0.00 0.00 57.03 57.80 3fdu h ASP 51 Cb 0.84 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.66 3fdu h ASP 51 CO -0.33 0.89 0.00 0.00 -2.88 0.00 0.00 179.24 176.93 3fdu n GLN 52 N -4.23 0.04 -2.84 0.28 1.13 -0.42 -4.81 117.38 106.53 3fdu n GLN 52 Ca 0.04 0.06 -0.43 0.00 -1.94 0.00 0.00 57.00 54.73 3fdu n GLN 52 Cb 0.28 -1.50 -0.04 0.00 0.11 0.00 0.00 30.24 29.09 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 -2.95 6.32 0.52 1.08 3.84 0.12 -4.90 114.94 118.96 3fdu s ASN 53 Ca 0.14 -0.43 0.33 0.00 0.21 0.00 0.00 52.86 53.10 3fdu s ASN 53 Cb 0.17 -2.43 1.47 0.00 -0.55 0.00 0.00 41.25 39.91 3fdu s ASN 53 CO 0.46 -1.25 1.82 0.07 -2.79 0.00 0.00 177.10 175.41 3fdu h LYS 54 N 9.34 0.06 -0.01 0.43 5.09 -1.87 0.35 116.57 129.96 3fdu h LYS 54 Ca -0.26 -0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.47 3fdu h LYS 54 Cb 1.07 -0.01 0.00 0.00 0.10 0.00 0.00 32.23 33.39 3fdu h LYS 54 CO 1.10 0.04 -0.10 -0.25 -2.09 0.00 0.00 179.45 178.14 3fdu n ASP 55 N -4.26 0.72 -4.64 7.07 8.00 -1.26 -4.74 116.55 117.43 3fdu n ASP 55 Ca 0.24 -0.86 -0.38 0.00 0.71 0.00 0.00 54.79 54.50 3fdu n ASP 55 Cb 1.13 -0.01 -0.09 0.00 -0.02 0.00 0.00 41.12 42.13 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 -2.33 5.26 -0.11 2.53 1.01 0.12 -4.10 120.40 122.78 3fdu s VAL 56 Ca 0.32 0.44 0.06 0.00 0.00 0.00 0.00 61.98 62.80 3fdu s VAL 56 Cb 0.20 -3.62 -0.11 0.00 0.00 0.00 0.00 36.38 32.85 3fdu s VAL 56 CO 0.44 0.26 -0.01 0.54 0.00 0.00 0.00 175.10 176.33 3fdu n ARG 57 N 4.72 1.75 -3.93 2.72 1.74 -0.31 -4.86 116.66 118.50 3fdu n ARG 57 Ca -0.11 0.02 -0.11 0.00 -0.77 0.00 0.00 57.85 56.88 3fdu n ARG 57 Cb 0.51 -1.25 -0.13 0.00 -1.02 0.00 0.00 32.46 30.58 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 -2.24 0.07 -0.15 1.55 1.01 -1.00 -4.17 120.40 115.47 3fdu s VAL 58 Ca -0.09 -0.46 -0.01 0.00 0.00 0.00 0.00 61.98 61.42 3fdu s VAL 58 Cb 0.03 -0.15 -0.02 0.00 0.00 0.00 0.00 36.38 36.25 3fdu s VAL 58 CO 0.37 -0.25 -0.10 -0.69 0.00 0.00 0.00 175.10 174.43 3fdu s VAL 59 N -0.73 3.22 -0.18 2.92 1.01 -0.51 -1.36 120.40 124.77 3fdu s VAL 59 Ca -0.08 -0.59 -0.06 0.00 0.00 0.00 0.00 61.98 61.25 3fdu s VAL 59 Cb -0.05 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.92 3fdu s VAL 59 CO -0.00 0.51 0.03 -0.69 0.00 0.00 0.00 175.10 174.94 3fdu s VAL 60 N 0.51 4.46 -0.10 2.92 1.01 0.28 -1.18 120.40 128.30 3fdu s VAL 60 Ca -0.07 -0.15 0.03 0.00 0.00 0.00 0.00 61.98 61.78 3fdu s VAL 60 Cb -0.15 -3.00 -0.01 0.00 0.00 0.00 0.00 36.38 33.22 3fdu s VAL 60 CO 0.04 0.47 -0.20 -0.22 0.00 0.00 0.00 175.10 175.19 3fdu s LEU 61 N 0.43 2.35 0.00 3.92 2.96 0.31 -0.35 118.68 128.31 3fdu s LEU 61 Ca 0.01 -0.44 -0.02 0.00 -0.22 0.00 0.00 54.13 53.45 3fdu s LEU 61 Cb -0.13 -1.49 0.01 0.00 0.50 0.00 0.00 46.19 45.08 3fdu s LEU 61 CO 0.01 0.19 0.48 -2.11 -1.32 0.00 0.00 176.35 173.60 3fdu n ARG 62 N 3.35 0.68 0.00 1.98 -4.01 -0.37 -2.02 116.66 116.28 3fdu n ARG 62 Ca -0.18 -2.64 0.00 0.00 -1.04 0.00 0.00 57.85 53.99 3fdu n ARG 62 Cb 0.53 2.56 0.00 0.00 -3.04 0.00 0.00 32.46 32.51 3fdu n ARG 62 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 3fdu n GLY 63 N -0.55 2.90 0.00 2.89 0.00 -1.26 -0.91 105.19 108.26 3fdu n GLY 63 Ca 0.00 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.62 3fdu n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fdu n ALA 64 N -3.00 0.00 -0.29 4.61 0.00 0.57 -3.97 120.51 118.43 3fdu n ALA 64 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.52 3fdu n ALA 64 Cb 0.00 0.00 0.30 0.00 0.00 0.00 0.00 19.45 19.75 3fdu n ALA 64 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3fdu h GLU 65 N 0.00 0.86 0.00 0.00 4.39 -2.01 -3.32 114.58 114.50 3fdu h GLU 65 Ca 0.00 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.65 3fdu h GLU 65 Cb 0.00 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 28.46 3fdu h GLU 65 CO 0.00 0.57 -0.38 0.72 -1.16 0.00 0.00 179.01 178.76 3fdu n HIS 66 N -4.54 0.00 -4.02 4.33 8.25 -1.26 -5.02 115.22 112.97 3fdu n HIS 66 Ca 0.16 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.51 3fdu n HIS 66 Cb 0.32 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.32 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 -1.33 0.50 0.00 0.41 1.01 -1.25 -2.12 116.67 113.88 3fdu s ASP 67 Ca 0.00 -0.53 0.00 0.00 0.71 0.00 0.00 52.55 52.73 3fdu s ASP 67 Cb 0.00 0.08 0.00 0.00 1.01 0.00 0.00 42.92 44.01 3fdu s ASP 67 CO 0.00 -0.27 0.00 0.33 0.21 0.00 0.00 175.17 175.44 3fdu n PHE 68 N 1.51 0.00 -3.64 4.23 7.35 -0.56 -0.32 117.46 126.03 3fdu n PHE 68 Ca -0.23 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.36 3fdu n PHE 68 Cb 0.55 -0.21 -0.07 0.00 0.35 0.00 0.00 39.48 40.10 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 -0.99 0.00 -2.00 -2.13 -1.32 -0.28 -4.54 115.64 104.37 3fdu s THR 69 Ca 0.00 0.00 0.12 0.00 -1.21 0.00 0.00 61.69 60.60 3fdu s THR 69 Cb 0.00 -1.00 0.35 0.00 -1.51 0.00 0.00 72.50 70.34 3fdu s THR 69 CO 0.00 0.00 1.24 0.00 -2.21 0.00 0.00 174.62 173.65 3fdu n ALA 70 N 3.17 2.23 0.00 11.08 0.00 -0.06 -1.13 120.51 135.80 3fdu n ALA 70 Ca -0.16 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.20 3fdu n ALA 70 Cb 0.57 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.81 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 0.25 -1.50 3.71 0.00 0.00 -1.21 -4.59 105.19 101.85 3fdu n GLY 71 Ca 0.09 -1.63 -0.42 0.00 0.00 0.00 0.00 46.02 44.06 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 6.62 0.02 1.61 2.47 -1.26 -0.55 114.94 119.85 3fdu s ASN 72 Ca 0.00 2.53 -0.30 0.00 0.42 0.00 0.00 52.86 55.51 3fdu s ASN 72 Cb 0.00 -2.58 -0.08 0.00 -1.45 0.00 0.00 41.25 37.14 3fdu s ASN 72 CO 0.00 -0.82 1.85 -0.62 -3.72 0.00 0.00 177.10 173.79 3fdu s ASP 73 N 1.55 6.51 0.08 -4.21 2.15 0.12 -4.77 116.67 118.10 3fdu s ASP 73 Ca 0.71 2.55 -0.36 0.00 0.43 0.00 0.00 52.55 55.88 3fdu s ASP 73 Cb -0.42 -2.54 -0.18 0.00 -0.30 0.00 0.00 42.92 39.49 3fdu s ASP 73 CO 0.31 -1.01 1.57 0.24 -0.17 0.00 0.00 175.17 176.12 3fdu h MET 74 N 9.99 -1.02 -4.95 4.34 2.86 -1.90 -3.48 114.93 120.77 3fdu h MET 74 Ca -0.46 0.07 -0.28 0.00 -2.06 0.00 0.00 59.70 56.97 3fdu h MET 74 Cb 1.22 0.23 0.07 0.00 0.06 0.00 0.00 31.60 33.18 3fdu h MET 74 CO 0.94 -0.68 0.91 1.63 1.06 0.00 0.00 176.91 180.78 3fdu n LYS 75 N -5.58 0.00 0.00 1.72 4.01 -1.26 -5.23 118.16 111.82 3fdu n LYS 75 Ca -0.13 -0.49 0.00 0.00 -0.51 0.00 0.00 58.31 57.18 3fdu n LYS 75 Cb 0.47 -1.74 0.00 0.00 -0.51 0.00 0.00 35.03 33.25 3fdu n LYS 75 CO 0.00 0.00 0.00 -0.35 -1.11 0.00 0.00 177.40 175.94 3fdu n PRO 88 N 5.65 0.00 0.08 1.97 -0.05 -1.26 -5.17 135.00 136.22 3fdu n PRO 88 Ca 0.22 0.00 0.03 0.00 -0.05 0.00 0.00 63.50 63.70 3fdu n PRO 88 Cb 0.32 0.00 0.41 0.00 -0.05 0.00 0.00 33.50 34.17 3fdu n PRO 88 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 3fdu h ALA 89 N 1.25 1.59 0.00 0.55 0.00 -1.95 -1.74 119.26 118.96 3fdu h ALA 89 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3fdu h ALA 89 Cb 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3fdu h ALA 89 CO 0.00 0.31 0.00 0.78 0.00 0.00 0.00 179.25 180.34 3fdu h GLY 90 N 0.62 0.00 -1.41 0.00 0.00 -1.89 -2.34 103.07 98.05 3fdu h GLY 90 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.41 3fdu h GLY 90 CO 0.00 0.00 -0.07 -1.06 0.00 0.00 0.00 176.54 175.41 3fdu n GLN 91 N -2.36 1.65 -1.96 4.80 1.13 -0.65 -4.26 117.38 115.73 3fdu n GLN 91 Ca -0.00 -1.50 -0.42 0.00 -1.94 0.00 0.00 57.00 53.14 3fdu n GLN 91 Cb 0.13 -1.36 -0.02 0.00 0.11 0.00 0.00 30.24 29.09 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 -1.70 2.57 0.19 5.09 1.01 -0.88 -4.78 120.40 121.90 3fdu s VAL 92 Ca 0.21 0.46 -0.12 0.00 0.00 0.00 0.00 61.98 62.53 3fdu s VAL 92 Cb 0.16 -3.29 0.13 0.00 0.00 0.00 0.00 36.38 33.37 3fdu s VAL 92 CO 0.28 0.07 1.72 -0.65 0.00 0.00 0.00 175.10 176.52 3fdu h PRO 93 N 5.36 0.26 -0.82 2.72 0.11 -1.90 -2.21 132.00 135.51 3fdu h PRO 93 Ca -0.45 -0.02 0.10 0.00 0.11 0.00 0.00 66.00 65.74 3fdu h PRO 93 Cb 1.22 -0.06 -0.06 0.00 0.11 0.00 0.00 31.00 32.21 3fdu h PRO 93 CO 0.81 0.17 0.54 -1.35 -0.21 0.00 0.00 178.00 177.96 3fdu h PRO 94 N 0.27 0.74 -0.23 1.05 0.10 -1.90 -1.39 132.00 130.63 3fdu h PRO 94 Ca 0.27 -0.04 -0.10 0.00 0.10 0.00 0.00 66.00 66.23 3fdu h PRO 94 Cb 0.37 -0.17 -0.01 0.00 0.10 0.00 0.00 31.00 31.29 3fdu h PRO 94 CO -0.34 0.49 -0.27 0.74 0.10 0.00 0.00 178.00 178.72 3fdu h PHE 95 N 0.76 0.50 -0.61 0.65 0.04 -1.73 -0.82 116.94 115.72 3fdu h PHE 95 Ca 0.38 -0.11 -0.03 0.00 2.80 0.00 0.00 57.97 61.02 3fdu h PHE 95 Cb 0.47 -0.12 -0.03 0.00 2.20 0.00 0.00 35.95 38.47 3fdu h PHE 95 CO -0.00 0.68 0.28 0.28 -0.60 0.00 0.00 178.31 178.94 3fdu h VAL 96 N 0.39 1.22 -0.09 -0.55 2.07 -1.15 -1.79 116.25 116.34 3fdu h VAL 96 Ca 0.06 -0.64 -0.01 0.00 0.82 0.00 0.00 66.70 66.93 3fdu h VAL 96 Cb 0.68 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 30.96 3fdu h VAL 96 CO 0.05 0.26 0.03 0.25 0.02 0.00 0.00 177.57 178.18 3fdu h LEU 97 N 0.84 0.12 -0.75 2.57 5.85 -1.04 -1.41 115.31 121.49 3fdu h LEU 97 Ca 0.21 -0.17 0.11 0.00 0.84 0.00 0.00 57.88 58.87 3fdu h LEU 97 Cb 0.14 -0.03 -0.08 0.00 0.37 0.00 0.00 40.66 41.06 3fdu h LEU 97 CO -0.02 0.26 0.37 -0.07 -0.34 0.00 0.00 178.44 178.64 3fdu h LEU 98 N -0.02 0.47 -0.51 2.25 3.38 -1.03 -1.23 115.31 118.62 3fdu h LEU 98 Ca 0.03 0.07 -0.15 0.00 0.09 0.00 0.00 57.88 57.92 3fdu h LEU 98 Cb 0.17 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3fdu h LEU 98 CO -0.00 0.25 -0.42 0.11 0.09 0.00 0.00 178.44 178.47 3fdu h LYS 99 N 0.60 0.76 -0.44 1.13 1.57 -1.22 -1.95 116.57 117.02 3fdu h LYS 99 Ca 0.38 -0.40 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3fdu h LYS 99 Cb 0.45 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 3fdu h LYS 99 CO -0.30 1.03 0.27 0.77 -0.57 0.00 0.00 179.45 180.65 3fdu h SER 100 N 0.61 0.52 -0.32 0.86 0.02 -0.82 -1.85 113.55 112.57 3fdu h SER 100 Ca 0.05 -0.04 0.01 0.00 -0.84 0.00 0.00 61.79 60.96 3fdu h SER 100 Cb 0.97 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.37 3fdu h SER 100 CO 0.09 0.40 0.21 0.00 -1.14 0.00 0.00 176.83 176.39 3fdu h ALA 101 N 1.13 0.41 0.00 3.77 0.00 -1.21 -2.54 119.26 120.81 3fdu h ALA 101 Ca 0.16 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 3fdu h ALA 101 Cb -0.03 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 3fdu h ALA 101 CO -0.03 -0.14 -0.02 0.00 0.00 0.00 0.00 179.25 179.05 3fdu h ALA 102 N 1.13 1.92 0.00 0.00 0.00 -0.89 -2.87 119.26 118.54 3fdu h ALA 102 Ca 0.12 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3fdu h ALA 102 Cb -0.04 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 3fdu h ALA 102 CO -0.04 0.03 -0.77 0.00 0.00 0.00 0.00 179.25 178.47 3fdu h ARG 103 N 0.00 0.00 -6.21 0.00 3.08 -1.06 -3.47 114.38 106.72 3fdu h ARG 103 Ca -0.00 0.00 -0.70 0.00 0.07 0.00 0.00 59.98 59.35 3fdu h ARG 103 Cb 0.04 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.12 3fdu h ARG 103 CO 0.00 0.07 0.88 -0.11 -1.07 0.00 0.00 179.97 179.74 3fdu n LEU 104 N -2.84 2.54 0.11 3.04 7.94 -0.98 -4.84 117.00 121.96 3fdu n LEU 104 Ca -0.00 1.06 0.12 0.00 -1.11 0.00 0.00 56.01 56.08 3fdu n LEU 104 Cb 0.59 -1.21 0.11 0.00 0.53 0.00 0.00 43.42 43.44 3fdu n LEU 104 CO 0.39 -0.43 0.32 0.77 -1.11 0.00 0.00 177.39 177.33 3fdu h SER 105 N 7.20 0.00 -2.33 1.96 4.64 -1.91 -3.46 113.55 119.66 3fdu h SER 105 Ca -0.47 -0.07 -0.45 0.00 -0.47 0.00 0.00 61.79 60.33 3fdu h SER 105 Cb 1.31 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.42 3fdu h SER 105 CO 0.93 0.03 -0.17 -0.54 -0.87 0.00 0.00 176.83 176.21 3fdu s LYS 106 N -3.26 2.99 0.35 4.77 1.02 -1.26 -4.65 119.74 119.70 3fdu s LYS 106 Ca 0.04 -0.74 -0.28 0.00 0.02 0.00 0.00 55.97 55.00 3fdu s LYS 106 Cb 0.10 -2.64 -0.11 0.00 -0.52 0.00 0.00 37.83 34.66 3fdu s LYS 106 CO 0.74 -0.23 1.39 -2.14 -0.92 0.00 0.00 175.35 174.19 3fdu s PRO 107 N -4.45 4.24 -0.16 -1.68 0.02 -1.26 -4.85 135.00 126.86 3fdu s PRO 107 Ca 0.49 2.39 0.01 0.00 0.02 0.00 0.00 61.00 63.91 3fdu s PRO 107 Cb -0.10 -3.02 0.01 0.00 0.02 0.00 0.00 34.50 31.41 3fdu s PRO 107 CO 0.35 -0.35 -0.19 -1.17 -0.33 0.00 0.00 177.00 175.32 3fdu s LEU 108 N -1.93 2.26 -0.11 -5.54 2.96 -1.26 -1.42 118.68 113.65 3fdu s LEU 108 Ca 0.51 -0.57 0.02 0.00 -0.22 0.00 0.00 54.13 53.87 3fdu s LEU 108 Cb -0.43 -1.50 -0.01 0.00 0.50 0.00 0.00 46.19 44.74 3fdu s LEU 108 CO 0.58 0.05 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.87 3fdu s ILE 109 N 0.99 2.76 -0.05 6.68 1.01 -0.33 -1.02 121.20 131.24 3fdu s ILE 109 Ca -0.02 -0.78 0.05 0.00 0.00 0.00 0.00 60.65 59.89 3fdu s ILE 109 Cb -0.15 -2.12 -0.02 0.00 0.01 0.00 0.00 42.46 40.18 3fdu s ILE 109 CO -0.05 0.54 -0.18 -0.63 0.00 0.00 0.00 174.94 174.63 3fdu s ILE 110 N 0.19 2.75 -0.11 2.92 1.01 -0.24 -0.53 121.20 127.19 3fdu s ILE 110 Ca -0.10 -0.84 0.03 0.00 0.00 0.00 0.00 60.65 59.75 3fdu s ILE 110 Cb -0.16 -2.05 -0.00 0.00 0.01 0.00 0.00 42.46 40.26 3fdu s ILE 110 CO 0.06 0.58 -0.22 0.00 0.00 0.00 0.00 174.94 175.36 3fdu s ALA 111 N -0.57 2.27 -0.12 9.38 0.00 -0.86 -1.50 121.76 130.37 3fdu s ALA 111 Ca 0.08 -0.97 0.03 0.00 0.00 0.00 0.00 51.96 51.09 3fdu s ALA 111 Cb -0.11 -0.92 -0.00 0.00 0.00 0.00 0.00 23.12 22.09 3fdu s ALA 111 CO 0.01 0.23 -0.21 0.08 0.00 0.00 0.00 175.76 175.87 3fdu s VAL 112 N 0.42 2.26 0.09 0.00 1.01 0.64 -4.26 120.40 120.55 3fdu s VAL 112 Ca -0.16 -0.94 0.05 0.00 0.00 0.00 0.00 61.98 60.94 3fdu s VAL 112 Cb -0.17 -1.89 -0.03 0.00 0.00 0.00 0.00 36.38 34.28 3fdu s VAL 112 CO 0.07 0.55 -0.14 -0.54 0.00 0.00 0.00 175.10 175.04 3fdu s LYS 113 N 0.47 0.88 3.50 2.72 1.02 -1.26 -2.71 119.74 124.36 3fdu s LYS 113 Ca -0.14 -1.05 0.00 0.00 0.02 0.00 0.00 55.97 54.79 3fdu s LYS 113 Cb -0.17 -0.83 0.00 0.00 -0.52 0.00 0.00 37.83 36.31 3fdu s LYS 113 CO 0.06 0.17 0.00 0.41 -0.92 0.00 0.00 175.35 175.07 3fdu n GLY 114 N 1.01 2.36 3.78 -3.33 0.00 -0.90 -1.50 105.19 106.61 3fdu n GLY 114 Ca -0.19 -0.28 -0.37 0.00 0.00 0.00 0.00 46.02 45.17 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 3.77 -0.41 1.61 -7.23 -1.26 -0.23 120.40 116.65 3fdu s VAL 115 Ca 0.00 1.42 0.04 0.00 -1.81 0.00 0.00 61.98 61.64 3fdu s VAL 115 Cb 0.00 -3.77 0.17 0.00 0.56 0.00 0.00 36.38 33.34 3fdu s VAL 115 CO 0.00 0.07 0.46 0.00 -0.31 0.00 0.00 175.10 175.32 3fdu s ALA 116 N -1.59 -0.63 -0.11 1.32 0.00 0.03 -1.12 121.76 119.65 3fdu s ALA 116 Ca 0.55 -1.00 0.02 0.00 0.00 0.00 0.00 51.96 51.53 3fdu s ALA 116 Cb -0.23 -2.17 -0.01 0.00 0.00 0.00 0.00 23.12 20.71 3fdu s ALA 116 CO 0.29 -2.15 -0.17 0.42 0.00 0.00 0.00 175.76 174.15 3fdu s ILE 117 N 1.16 2.68 0.00 0.00 -1.09 -0.29 -2.49 121.20 121.18 3fdu s ILE 117 Ca 0.21 -0.80 0.00 0.00 -2.23 0.00 0.00 60.65 57.83 3fdu s ILE 117 Cb -0.09 -2.09 0.00 0.00 -1.58 0.00 0.00 42.46 38.71 3fdu s ILE 117 CO -0.06 0.54 0.00 0.61 -1.23 0.00 0.00 174.94 174.80 3fdu n GLY 118 N 3.43 1.83 0.48 6.18 0.00 0.12 -0.94 105.19 116.29 3fdu n GLY 118 Ca -0.18 -0.05 0.31 0.00 0.00 0.00 0.00 46.02 46.10 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 0.39 -0.36 -0.61 6.09 -1.94 0.19 117.51 121.28 3fdu h ILE 119 Ca 0.00 -0.06 0.10 0.00 -1.37 0.00 0.00 64.86 63.54 3fdu h ILE 119 Cb 0.00 0.21 -0.01 0.00 0.47 0.00 0.00 36.82 37.48 3fdu h ILE 119 CO 0.00 0.03 0.29 1.23 -3.07 0.00 0.00 178.15 176.63 3fdu h GLY 120 N 0.17 0.00 0.10 8.18 0.00 -1.29 -1.75 103.07 108.48 3fdu h GLY 120 Ca 0.63 0.00 -0.39 0.00 0.00 0.00 0.00 47.33 47.57 3fdu h GLY 120 CO -0.18 0.00 -2.22 -0.62 0.00 0.00 0.00 176.54 173.52 3fdu n VAL 121 N -4.22 1.56 0.23 4.60 0.31 0.60 -4.45 118.33 116.95 3fdu n VAL 121 Ca 0.06 -0.42 0.09 0.00 -0.01 0.00 0.00 64.34 64.05 3fdu n VAL 121 Cb 0.46 -1.75 0.56 0.00 -0.91 0.00 0.00 33.84 32.20 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 -0.53 0.79 0.00 2.52 1.35 -1.18 -1.18 112.91 114.68 3fdu h THR 122 Ca -0.56 -0.88 -0.03 0.00 -0.55 0.00 0.00 66.41 64.39 3fdu h THR 122 Cb 1.71 1.53 -0.00 0.00 -1.73 0.00 0.00 68.15 69.66 3fdu h THR 122 CO -0.21 0.21 -0.15 -0.29 -0.25 0.00 0.00 175.52 174.83 3fdu h ILE 123 N 0.00 0.43 0.00 6.82 2.10 -1.56 -2.69 117.51 122.62 3fdu h ILE 123 Ca -0.00 -0.86 -0.04 0.00 1.08 0.00 0.00 64.86 65.04 3fdu h ILE 123 Cb 0.51 1.61 -0.01 0.00 -1.09 0.00 0.00 36.82 37.85 3fdu h ILE 123 CO 0.03 0.15 -0.21 -0.07 -1.08 0.00 0.00 178.15 176.97 3fdu h LEU 124 N 0.00 0.00 -0.86 2.19 3.38 -1.43 -2.04 115.31 116.56 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 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 3fdu h LEU 124 CO 0.02 0.21 0.00 -0.07 0.09 0.00 0.00 178.44 178.69 3fdu h LEU 125 N 0.00 0.00 0.00 1.67 3.38 -1.56 -2.58 115.31 116.22 3fdu h LEU 125 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3fdu h LEU 125 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 3fdu h LEU 125 CO 0.03 0.00 -0.86 0.00 0.09 0.00 0.00 178.44 177.70 3fdu n GLN 126 N -2.52 0.10 -2.95 1.13 1.13 -0.77 -4.96 117.38 108.54 3fdu n GLN 126 Ca 0.02 -0.01 -0.32 0.00 -1.94 0.00 0.00 57.00 54.76 3fdu n GLN 126 Cb 0.28 -1.53 -0.05 0.00 0.11 0.00 0.00 30.24 29.05 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 -3.07 3.30 0.05 -1.58 0.00 -0.97 -4.60 121.76 114.89 3fdu s ALA 127 Ca 0.07 -0.03 -0.11 0.00 0.00 0.00 0.00 51.96 51.90 3fdu s ALA 127 Cb 0.16 -2.79 -0.31 0.00 0.00 0.00 0.00 23.12 20.18 3fdu s ALA 127 CO 0.79 0.14 1.08 -0.44 0.00 0.00 0.00 175.76 177.33 3fdu h ASP 128 N 1.72 0.69 -3.92 0.00 3.32 -1.37 -3.47 116.42 113.40 3fdu h ASP 128 Ca -0.48 -0.71 -0.33 0.00 0.02 0.00 0.00 57.03 55.53 3fdu h ASP 128 Cb 1.18 -0.22 -0.28 0.00 0.22 0.00 0.00 39.33 40.22 3fdu h ASP 128 CO 0.64 1.55 -0.76 -0.76 -1.72 0.00 0.00 179.24 178.20 3fdu s LEU 129 N -7.47 2.00 -0.04 1.55 1.43 -1.09 -5.05 118.68 110.02 3fdu s LEU 129 Ca -0.07 -0.10 0.00 0.00 -1.03 0.00 0.00 54.13 52.93 3fdu s LEU 129 Cb 0.06 -0.29 0.02 0.00 0.03 0.00 0.00 46.19 46.01 3fdu s LEU 129 CO 0.92 0.07 -0.02 -0.69 0.23 0.00 0.00 176.35 176.86 3fdu s VAL 130 N -0.12 0.33 -0.02 -1.59 1.01 -1.26 -1.08 120.40 117.66 3fdu s VAL 130 Ca 0.02 0.01 0.08 0.00 0.00 0.00 0.00 61.98 62.09 3fdu s VAL 130 Cb -0.02 -0.40 -0.02 0.00 0.00 0.00 0.00 36.38 35.93 3fdu s VAL 130 CO -0.00 0.18 -0.25 -0.36 0.00 0.00 0.00 175.10 174.67 3fdu s PHE 131 N 1.07 2.35 0.05 5.22 0.08 -0.56 0.67 117.98 126.84 3fdu s PHE 131 Ca -0.09 -0.43 0.00 0.00 0.12 0.00 0.00 56.93 56.54 3fdu s PHE 131 Cb -0.14 -1.50 -0.03 0.00 -0.57 0.00 0.00 43.02 40.78 3fdu s PHE 131 CO -0.01 -0.03 -0.05 0.00 -0.10 0.00 0.00 175.22 175.04 3fdu s ALA 132 N -0.62 0.48 0.50 5.36 0.00 -1.08 -0.26 121.76 126.14 3fdu s ALA 132 Ca 0.10 -0.96 0.09 0.00 0.00 0.00 0.00 51.96 51.19 3fdu s ALA 132 Cb -0.10 0.17 0.05 0.00 0.00 0.00 0.00 23.12 23.24 3fdu s ALA 132 CO -0.01 -0.22 0.69 0.16 0.00 0.00 0.00 175.76 176.38 3fdu s ASP 133 N -2.23 5.35 0.00 0.00 1.47 -1.10 -1.02 116.67 119.13 3fdu s ASP 133 Ca -0.03 -0.66 0.14 0.00 1.18 0.00 0.00 52.55 53.19 3fdu s ASP 133 Cb -0.01 -0.14 0.84 0.00 -0.34 0.00 0.00 42.92 43.27 3fdu s ASP 133 CO -0.04 -1.07 1.28 0.59 0.68 0.00 0.00 175.17 176.61 3fdu n ASN 134 N -2.06 0.00 -0.25 2.11 5.03 -1.26 -2.17 115.26 116.66 3fdu n ASN 134 Ca 0.12 -0.73 0.14 0.00 0.87 0.00 0.00 54.58 54.98 3fdu n ASN 134 Cb 0.60 0.00 0.57 0.00 -1.02 0.00 0.00 39.78 39.93 3fdu n ASN 134 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 3fdu n THR 135 N -0.88 0.00 -2.13 3.41 -2.24 -1.26 -4.78 114.28 106.40 3fdu n THR 135 Ca 0.11 -0.13 -0.41 0.00 -2.27 0.00 0.00 64.05 61.35 3fdu n THR 135 Cb 0.05 0.16 -0.02 0.00 -2.10 0.00 0.00 70.33 68.42 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 -2.27 3.50 -0.24 6.98 0.00 -0.92 -3.37 121.76 125.43 3fdu s ALA 136 Ca 0.33 1.24 -0.01 0.00 0.00 0.00 0.00 51.96 53.52 3fdu s ALA 136 Cb 0.20 -3.47 0.07 0.00 0.00 0.00 0.00 23.12 19.92 3fdu s ALA 136 CO 0.43 -0.62 0.03 -1.17 0.00 0.00 0.00 175.76 174.43 3fdu s LEU 137 N -1.70 1.92 0.10 0.00 2.96 0.68 -4.03 118.68 118.61 3fdu s LEU 137 Ca 0.49 -1.19 0.02 0.00 -0.22 0.00 0.00 54.13 53.23 3fdu s LEU 137 Cb -0.39 -0.84 -0.04 0.00 0.50 0.00 0.00 46.19 45.42 3fdu s LEU 137 CO 0.52 -0.32 0.19 -0.36 -1.32 0.00 0.00 176.35 175.05 3fdu s PHE 138 N 1.65 3.38 -0.13 5.38 0.08 -0.33 -0.79 117.98 127.21 3fdu s PHE 138 Ca 0.01 0.13 -0.24 0.00 0.12 0.00 0.00 56.93 56.96 3fdu s PHE 138 Cb -0.18 -1.66 0.06 0.00 -0.57 0.00 0.00 43.02 40.67 3fdu s PHE 138 CO -0.13 0.54 0.59 -1.14 -0.10 0.00 0.00 175.22 174.99 3fdu s GLN 139 N -2.76 0.84 -0.54 0.44 0.74 -1.04 -0.92 119.66 116.43 3fdu s GLN 139 Ca 0.33 0.46 -0.02 0.00 0.05 0.00 0.00 55.36 56.18 3fdu s GLN 139 Cb -0.12 0.40 0.14 0.00 1.10 0.00 0.00 33.01 34.53 3fdu s GLN 139 CO 0.26 -0.20 0.34 0.42 -0.55 0.00 0.00 175.29 175.56 3fdu s ILE 140 N -0.52 3.43 -2.41 -2.34 1.01 -1.26 -0.70 121.20 118.41 3fdu s ILE 140 Ca -0.06 -2.69 0.24 0.00 0.00 0.00 0.00 60.65 58.14 3fdu s ILE 140 Cb -0.03 -3.29 0.48 0.00 0.01 0.00 0.00 42.46 39.64 3fdu s ILE 140 CO 0.05 -0.80 1.61 -0.81 0.00 0.00 0.00 174.94 174.99 3fdu n PRO 141 N 3.83 1.77 -0.28 2.79 -0.04 -1.26 -4.28 135.00 137.52 3fdu n PRO 141 Ca 0.04 -1.13 0.01 0.00 -0.04 0.00 0.00 63.50 62.38 3fdu n PRO 141 Cb 0.39 -1.44 0.14 0.00 -0.04 0.00 0.00 33.50 32.55 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 2.48 0.85 -0.95 0.54 0.04 -1.91 0.22 116.94 118.22 3fdu h PHE 142 Ca 0.00 0.03 0.07 0.00 2.80 0.00 0.00 57.97 60.86 3fdu h PHE 142 Cb 0.54 -0.26 -0.06 0.00 2.20 0.00 0.00 35.95 38.36 3fdu h PHE 142 CO 0.06 0.39 0.61 0.28 -0.60 0.00 0.00 178.31 179.06 3fdu h VAL 143 N 0.82 1.07 0.00 -0.55 2.07 -1.79 -0.58 116.25 117.29 3fdu h VAL 143 Ca 0.36 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.51 3fdu h VAL 143 Cb 0.26 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 29.92 3fdu h VAL 143 CO -0.21 0.20 0.00 -1.54 0.02 0.00 0.00 177.57 176.04 3fdu n SER 144 N -4.49 0.00 -0.96 0.57 3.41 0.76 -1.71 113.62 111.19 3fdu n SER 144 Ca 0.14 -0.26 0.10 0.00 -0.26 0.00 0.00 58.87 58.59 3fdu n SER 144 Cb 0.20 -0.19 0.17 0.00 -0.26 0.00 0.00 64.21 64.13 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 -1.19 3.12 -0.73 1.04 4.77 -0.38 -4.94 117.00 118.69 3fdu n LEU 145 Ca 0.13 -1.46 -0.09 0.00 -0.03 0.00 0.00 56.01 54.56 3fdu n LEU 145 Cb 0.14 -0.19 -0.03 0.00 -2.33 0.00 0.00 43.42 41.01 3fdu n LEU 145 CO 0.15 0.67 -0.09 0.61 -1.33 0.00 0.00 177.39 177.40 3fdu n GLY 146 N 1.22 0.81 0.00 -0.72 0.00 -0.70 -3.91 105.19 101.89 3fdu n GLY 146 Ca 0.16 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.04 0.00 -3.91 0.99 4.77 -0.36 -4.49 117.00 112.96 3fdu n LEU 147 Ca -0.09 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.78 3fdu n LEU 147 Cb 0.35 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.44 3fdu n LEU 147 CO 0.13 0.00 0.39 -0.94 -1.33 0.00 0.00 177.39 175.63 3fdu s SER 148 N -1.00 0.33 0.85 -1.43 1.04 -1.26 -4.48 113.70 107.75 3fdu s SER 148 Ca 0.00 -1.26 -0.11 0.00 0.48 0.00 0.00 55.95 55.06 3fdu s SER 148 Cb 0.00 0.78 0.10 0.00 0.10 0.00 0.00 66.02 67.00 3fdu s SER 148 CO 0.00 -1.54 1.09 -2.84 0.98 0.00 0.00 173.24 170.93 3fdu s PRO 149 N -2.62 1.64 0.15 4.02 0.02 -1.26 -4.81 135.00 132.14 3fdu s PRO 149 Ca 0.21 1.03 -0.01 0.00 0.02 0.00 0.00 61.00 62.24 3fdu s PRO 149 Cb -0.03 -1.84 -0.04 0.00 0.02 0.00 0.00 34.50 32.61 3fdu s PRO 149 CO 0.15 -2.03 0.08 -1.83 -0.33 0.00 0.00 177.00 173.03 3fdu s GLU 150 N -4.89 1.02 0.00 5.54 -1.05 -1.26 -4.67 118.70 113.38 3fdu s GLU 150 Ca 0.63 -1.50 0.00 0.00 -0.15 0.00 0.00 54.97 53.95 3fdu s GLU 150 Cb -0.18 0.25 0.00 0.00 -0.44 0.00 0.00 34.13 33.76 3fdu s GLU 150 CO 0.57 -0.30 0.00 0.41 0.95 0.00 0.00 175.26 176.88 3fdu n GLY 151 N -0.15 0.79 2.30 -3.83 0.00 -1.26 -2.59 105.19 100.46 3fdu n GLY 151 Ca -0.03 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.21 0.49 0.35 -0.02 0.00 -1.26 -4.82 105.19 97.73 3fdu n GLY 152 Ca 0.00 -0.20 0.19 0.00 0.00 0.00 0.00 46.02 46.01 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 1.87 0.00 4.61 0.00 -1.87 0.22 119.26 124.09 3fdu h ALA 153 Ca -0.04 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3fdu h ALA 153 Cb 0.37 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3fdu h ALA 153 CO 0.06 -0.36 0.12 0.66 0.00 0.00 0.00 179.25 179.73 3fdu h SER 154 N 0.52 0.00 0.00 0.00 4.64 -1.91 -1.57 113.55 115.22 3fdu h SER 154 Ca 0.66 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.86 3fdu h SER 154 Cb 1.34 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.41 3fdu h SER 154 CO -0.48 0.00 -1.34 0.00 -0.87 0.00 0.00 176.83 174.14 3fdu n GLN 155 N -2.81 0.15 -0.20 4.77 6.02 -0.67 -4.54 117.38 120.11 3fdu n GLN 155 Ca -0.02 0.07 -0.09 0.00 -0.01 0.00 0.00 57.00 56.95 3fdu n GLN 155 Cb 0.17 -0.76 0.02 0.00 1.02 0.00 0.00 30.24 30.70 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 -0.26 0.87 -0.63 1.08 3.38 -0.97 -0.81 115.31 117.97 3fdu h LEU 156 Ca -0.17 -0.25 -0.14 0.00 0.09 0.00 0.00 57.88 57.40 3fdu h LEU 156 Cb 1.11 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 3fdu h LEU 156 CO -0.11 0.91 -0.45 0.25 0.09 0.00 0.00 178.44 179.13 3fdu h LEU 157 N 0.81 0.60 -0.67 1.67 5.85 -1.49 -0.28 115.31 121.79 3fdu h LEU 157 Ca 0.17 -0.28 -0.03 0.00 0.84 0.00 0.00 57.88 58.58 3fdu h LEU 157 Cb 0.40 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 3fdu h LEU 157 CO 0.01 0.96 0.30 0.58 -0.34 0.00 0.00 178.44 179.95 3fdu h VAL 158 N 0.45 1.23 -0.29 1.05 2.07 -1.54 0.28 116.25 119.50 3fdu h VAL 158 Ca 0.03 -0.68 -0.13 0.00 0.82 0.00 0.00 66.70 66.74 3fdu h VAL 158 Cb 0.96 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 31.17 3fdu h VAL 158 CO 0.09 0.28 -0.32 0.11 0.02 0.00 0.00 177.57 177.75 3fdu h LYS 159 N 0.93 0.72 -0.13 1.57 1.57 -0.98 0.69 116.57 120.94 3fdu h LYS 159 Ca 0.23 -0.39 -0.23 0.00 -1.87 0.00 0.00 60.65 58.38 3fdu h LYS 159 Cb 0.15 0.02 0.01 0.00 0.08 0.00 0.00 32.23 32.49 3fdu h LYS 159 CO -0.02 1.01 -0.82 0.37 -0.57 0.00 0.00 179.45 179.42 3fdu h GLN 160 N 0.47 0.78 0.00 3.15 5.75 -0.93 -3.36 115.11 120.97 3fdu h GLN 160 Ca 0.04 -0.67 0.00 0.00 -0.15 0.00 0.00 58.65 57.87 3fdu h GLN 160 Cb 0.89 0.15 0.00 0.00 1.07 0.00 0.00 27.48 29.59 3fdu h GLN 160 CO 0.08 1.27 -0.74 0.00 -2.65 0.00 0.00 178.83 176.79 3fdu n ALA 161 N -2.61 3.79 0.00 3.38 0.00 0.07 -4.43 120.51 120.71 3fdu n ALA 161 Ca -0.08 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 52.96 3fdu n ALA 161 Cb 0.77 -0.52 0.00 0.00 0.00 0.00 0.00 19.45 19.70 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 1.36 -1.71 0.18 0.00 0.00 0.23 -4.40 105.19 100.84 3fdu n GLY 162 Ca 0.02 -1.51 -0.11 0.00 0.00 0.00 0.00 46.02 44.42 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 0.57 -0.29 1.61 3.20 -1.88 -2.05 116.97 118.13 3fdu h TYR 163 Ca 0.00 -0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.78 3fdu h TYR 163 Cb 0.00 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.10 3fdu h TYR 163 CO 0.00 0.64 0.18 0.45 -1.64 0.00 0.00 178.16 177.79 3fdu h HIS 164 N 0.35 0.37 -0.39 -3.82 3.86 -1.94 -1.01 115.15 112.56 3fdu h HIS 164 Ca 0.09 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.17 3fdu h HIS 164 Cb 0.39 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.72 3fdu h HIS 164 CO 0.03 0.26 -0.28 -0.22 0.86 0.00 0.00 177.93 178.58 3fdu h LYS 165 N 0.38 0.83 -0.61 2.45 1.63 -1.75 -1.85 116.57 117.65 3fdu h LYS 165 Ca 0.10 -0.37 -0.03 0.00 -0.85 0.00 0.00 60.65 59.50 3fdu h LYS 165 Cb -0.01 -0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 31.57 3fdu h LYS 165 CO -0.02 1.01 0.27 0.00 -3.45 0.00 0.00 179.45 177.25 3fdu h ALA 166 N 0.97 0.79 -0.60 5.00 0.00 -1.14 -1.63 119.26 122.65 3fdu h ALA 166 Ca 0.08 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.88 3fdu h ALA 166 Cb 0.82 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 3fdu h ALA 166 CO 0.07 0.38 0.35 0.00 0.00 0.00 0.00 179.25 180.04 3fdu h ALA 167 N 1.11 0.78 -0.30 0.00 0.00 -1.09 0.71 119.26 120.47 3fdu h ALA 167 Ca 0.21 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3fdu h ALA 167 Cb 0.16 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3fdu h ALA 167 CO -0.02 0.05 0.17 1.49 0.00 0.00 0.00 179.25 180.94 3fdu h GLU 168 N 0.67 0.42 -0.28 0.00 4.81 -1.00 0.46 114.58 119.65 3fdu h GLU 168 Ca 0.25 -0.05 -0.15 0.00 -0.13 0.00 0.00 59.36 59.29 3fdu h GLU 168 Cb 0.08 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 3fdu h GLU 168 CO -0.13 0.35 -0.39 -0.07 -0.73 0.00 0.00 179.01 178.04 3fdu h LEU 169 N 0.37 0.83 -0.01 1.64 3.38 -1.11 -2.84 115.31 117.56 3fdu h LEU 169 Ca 0.11 -0.50 -0.16 0.00 0.09 0.00 0.00 57.88 57.42 3fdu h LEU 169 Cb 0.05 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 40.58 3fdu h LEU 169 CO -0.02 1.18 -0.60 -0.07 0.09 0.00 0.00 178.44 179.02 3fdu h LEU 170 N 0.52 0.55 -0.30 1.67 3.38 -0.79 -3.11 115.31 117.22 3fdu h LEU 170 Ca 0.03 -0.74 -0.17 0.00 0.09 0.00 0.00 57.88 57.09 3fdu h LEU 170 Cb 0.98 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.57 3fdu h LEU 170 CO 0.09 1.22 -0.48 -0.26 0.09 0.00 0.00 178.44 179.11 3fdu h PHE 171 N -0.06 1.06 0.00 1.13 -1.00 -0.18 -3.26 116.94 114.62 3fdu h PHE 171 Ca -0.07 -0.36 0.00 0.00 2.81 0.00 0.00 57.97 60.35 3fdu h PHE 171 Cb 1.30 -0.20 0.00 0.00 3.61 0.00 0.00 35.95 40.65 3fdu h PHE 171 CO 0.14 1.18 -0.52 1.79 -1.61 0.00 0.00 178.31 179.29 3fdu h THR 172 N 0.63 0.00 -4.93 -1.55 1.35 -1.66 -3.47 112.91 103.27 3fdu h THR 172 Ca 0.03 -0.59 -0.31 0.00 -0.55 0.00 0.00 66.41 64.98 3fdu h THR 172 Cb 1.08 1.26 -0.05 0.00 -1.73 0.00 0.00 68.15 68.71 3fdu h THR 172 CO 0.11 0.00 -0.45 0.00 -0.25 0.00 0.00 175.52 174.93 3fdu n ALA 173 N -1.88 -0.97 -1.75 6.62 0.00 -1.18 -4.93 120.51 116.41 3fdu n ALA 173 Ca 0.03 0.08 -0.34 0.00 0.00 0.00 0.00 53.44 53.22 3fdu n ALA 173 Cb 0.46 -2.26 -0.02 0.00 0.00 0.00 0.00 19.45 17.63 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 -5.66 3.60 0.25 0.00 -2.85 -1.26 -4.64 119.74 109.19 3fdu s LYS 174 Ca 0.26 1.32 -0.26 0.00 -1.00 0.00 0.00 55.97 56.29 3fdu s LYS 174 Cb -0.13 -2.07 -0.09 0.00 -2.06 0.00 0.00 37.83 33.48 3fdu s LYS 174 CO 0.31 -0.59 0.87 0.15 0.10 0.00 0.00 175.35 176.20 3fdu s LYS 175 N -3.53 4.61 0.15 1.78 1.02 -1.26 -4.27 119.74 118.24 3fdu s LYS 175 Ca 0.66 1.27 -0.08 0.00 0.02 0.00 0.00 55.97 57.84 3fdu s LYS 175 Cb -0.17 -3.05 -0.01 0.00 -0.52 0.00 0.00 37.83 34.09 3fdu s LYS 175 CO 0.26 0.43 0.26 -0.59 -0.92 0.00 0.00 175.35 174.79 3fdu s PHE 176 N -1.38 0.41 0.33 3.18 -0.12 -0.09 -4.97 117.98 115.34 3fdu s PHE 176 Ca 0.43 -0.78 0.04 0.00 -0.05 0.00 0.00 56.93 56.58 3fdu s PHE 176 Cb -0.21 -0.09 0.04 0.00 -0.63 0.00 0.00 43.02 42.13 3fdu s PHE 176 CO 0.26 -0.69 0.34 0.27 -0.05 0.00 0.00 175.22 175.36 3fdu n ASN 177 N -0.19 1.70 -0.22 1.98 0.23 -1.26 -1.19 115.26 116.32 3fdu n ASN 177 Ca -0.08 -2.03 -0.07 0.00 -0.53 0.00 0.00 54.58 51.87 3fdu n ASN 177 Cb 0.63 -0.12 0.08 0.00 -2.08 0.00 0.00 39.78 38.29 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 0.52 0.99 -0.51 -2.53 0.00 -1.86 -2.07 119.26 113.79 3fdu h ALA 178 Ca -0.19 -0.25 0.05 0.00 0.00 0.00 0.00 54.91 54.52 3fdu h ALA 178 Cb 0.75 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 3fdu h ALA 178 CO 0.28 0.64 0.25 1.49 0.00 0.00 0.00 179.25 181.91 3fdu h GLU 179 N 0.99 0.46 -0.49 0.00 4.57 -1.95 0.16 114.58 118.32 3fdu h GLU 179 Ca 0.20 -0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.32 3fdu h GLU 179 Cb 0.40 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.86 3fdu h GLU 179 CO 0.01 0.31 0.19 1.15 -1.18 0.00 0.00 179.01 179.48 3fdu h THR 180 N 0.48 1.22 -0.85 0.32 2.02 -1.90 -1.39 112.91 112.80 3fdu h THR 180 Ca 0.23 -0.68 -0.02 0.00 0.77 0.00 0.00 66.41 66.71 3fdu h THR 180 Cb 0.17 0.74 -0.04 0.00 -1.74 0.00 0.00 68.15 67.28 3fdu h THR 180 CO -0.18 0.25 0.45 0.00 0.37 0.00 0.00 175.52 176.42 3fdu h ALA 181 N 1.03 1.20 -0.10 6.16 0.00 -1.05 0.24 119.26 126.75 3fdu h ALA 181 Ca 0.16 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3fdu h ALA 181 Cb 0.22 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 3fdu h ALA 181 CO -0.01 0.64 0.02 1.25 0.00 0.00 0.00 179.25 181.14 3fdu h LEU 182 N 1.19 0.16 -1.26 0.00 5.85 -0.53 -0.30 115.31 120.41 3fdu h LEU 182 Ca 0.30 -0.25 0.03 0.00 0.84 0.00 0.00 57.88 58.80 3fdu h LEU 182 Cb 0.04 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 3fdu h LEU 182 CO -0.05 0.37 0.51 1.56 -0.34 0.00 0.00 178.44 180.50 3fdu h GLN 183 N -0.06 0.93 0.00 1.25 4.20 -1.02 -1.75 115.11 118.66 3fdu h GLN 183 Ca 0.03 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.68 3fdu h GLN 183 Cb 0.28 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.85 3fdu h GLN 183 CO 0.00 0.62 0.00 0.00 -0.67 0.00 0.00 178.83 178.78 3fdu n ALA 184 N -2.42 2.31 -0.96 3.87 0.00 0.05 -4.90 120.51 118.47 3fdu n ALA 184 Ca 0.10 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3fdu n ALA 184 Cb 0.12 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.19 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 0.52 0.55 0.17 0.00 0.00 -0.66 -3.25 105.19 102.52 3fdu n GLY 185 Ca 0.16 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.22 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 -8.39 0.99 3.38 -1.29 -3.43 115.31 106.56 3fdu h LEU 186 Ca 0.00 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.34 3fdu h LEU 186 Cb 0.13 0.00 -0.31 0.00 0.09 0.00 0.00 40.66 40.57 3fdu h LEU 186 CO 0.00 0.44 -0.86 -0.69 0.09 0.00 0.00 178.44 177.42 3fdu s VAL 187 N -3.35 1.75 0.07 1.22 1.01 -1.13 -4.72 120.40 115.26 3fdu s VAL 187 Ca 0.01 -0.91 -0.12 0.00 0.00 0.00 0.00 61.98 60.97 3fdu s VAL 187 Cb 0.10 -1.48 -0.27 0.00 0.00 0.00 0.00 36.38 34.73 3fdu s VAL 187 CO 0.71 0.49 1.14 0.78 0.00 0.00 0.00 175.10 178.23 3fdu h ASN 188 N 6.00 0.77 -3.75 3.32 4.21 -0.04 -3.41 115.58 122.67 3fdu h ASN 188 Ca -0.34 -0.70 -0.08 0.00 1.21 0.00 0.00 56.30 56.38 3fdu h ASN 188 Cb 1.16 -0.24 -0.23 0.00 -1.12 0.00 0.00 38.32 37.89 3fdu h ASN 188 CO 0.47 1.52 -0.09 -0.70 -1.29 0.00 0.00 177.43 177.34 3fdu s GLU 189 N -2.99 0.62 -0.23 0.81 2.12 -1.23 -5.06 118.70 112.73 3fdu s GLU 189 Ca -0.08 0.82 -0.17 0.00 0.36 0.00 0.00 54.97 55.90 3fdu s GLU 189 Cb 0.06 0.25 -0.03 0.00 0.26 0.00 0.00 34.13 34.67 3fdu s GLU 189 CO 0.92 -0.09 0.45 0.42 -0.54 0.00 0.00 175.26 176.41 3fdu s ILE 190 N 0.57 5.14 0.29 -3.70 1.01 -1.26 -2.64 121.20 120.62 3fdu s ILE 190 Ca -0.02 0.77 0.05 0.00 0.00 0.00 0.00 60.65 61.44 3fdu s ILE 190 Cb -0.05 -3.77 -0.06 0.00 0.01 0.00 0.00 42.46 38.60 3fdu s ILE 190 CO -0.03 0.17 0.00 0.68 0.00 0.00 0.00 174.94 175.76 3fdu s VAL 191 N 1.82 1.35 0.10 2.92 -7.23 -0.19 -4.99 120.40 114.18 3fdu s VAL 191 Ca 0.20 -2.05 -0.09 0.00 -1.81 0.00 0.00 61.98 58.22 3fdu s VAL 191 Cb -0.15 -2.59 -0.22 0.00 0.56 0.00 0.00 36.38 33.98 3fdu s VAL 191 CO 0.09 -0.18 1.23 -0.33 -0.31 0.00 0.00 175.10 175.60 3fdu h GLU 192 N 2.23 0.54 -3.09 4.82 5.08 -1.98 -3.35 114.58 118.83 3fdu h GLU 192 Ca -0.40 -0.61 -0.62 0.00 -1.00 0.00 0.00 59.36 56.73 3fdu h GLU 192 Cb 1.24 0.18 -0.40 0.00 0.50 0.00 0.00 28.75 30.27 3fdu h GLU 192 CO 0.68 1.23 -0.71 0.34 -1.00 0.00 0.00 179.01 179.55 3fdu s ASP 193 N -7.21 3.82 0.40 1.42 -1.08 -1.26 -4.90 116.67 107.86 3fdu s ASP 193 Ca -0.08 -2.72 0.07 0.00 -0.52 0.00 0.00 52.55 49.30 3fdu s ASP 193 Cb 0.08 -1.19 0.84 0.00 -1.46 0.00 0.00 42.92 41.19 3fdu s ASP 193 CO 0.90 -0.26 2.05 0.00 0.52 0.00 0.00 175.17 178.38 3fdu h ALA 194 N 6.68 1.69 -0.22 3.66 0.00 -1.88 -2.18 119.26 127.01 3fdu h ALA 194 Ca -0.03 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.65 3fdu h ALA 194 Cb 0.92 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.54 3fdu h ALA 194 CO 0.53 0.28 -0.66 1.88 0.00 0.00 0.00 179.25 181.28 3fdu h TYR 195 N 0.59 1.08 -0.65 0.00 0.05 -1.94 -2.20 116.97 113.89 3fdu h TYR 195 Ca 0.16 -0.43 -0.06 0.00 0.05 0.00 0.00 58.73 58.45 3fdu h TYR 195 Cb -0.06 -0.19 -0.03 0.00 1.01 0.00 0.00 36.73 37.47 3fdu h TYR 195 CO -0.00 1.26 0.16 0.00 -1.05 0.00 0.00 178.16 178.53 3fdu h ALA 196 N 0.63 1.04 -0.34 3.88 0.00 -1.93 -1.49 119.26 121.05 3fdu h ALA 196 Ca -0.02 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 3fdu h ALA 196 Cb 1.28 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 3fdu h ALA 196 CO 0.14 0.63 -0.04 1.15 0.00 0.00 0.00 179.25 181.13 3fdu h THR 197 N 0.98 1.27 -0.63 0.00 2.02 -1.42 -0.45 112.91 114.69 3fdu h THR 197 Ca 0.21 -1.06 -0.01 0.00 0.77 0.00 0.00 66.41 66.31 3fdu h THR 197 Cb 0.35 1.28 -0.03 0.00 -1.74 0.00 0.00 68.15 68.01 3fdu h THR 197 CO 0.00 0.35 0.33 0.00 0.37 0.00 0.00 175.52 176.57 3fdu h ALA 198 N 0.83 0.81 -0.52 6.16 0.00 -1.32 -0.42 119.26 124.81 3fdu h ALA 198 Ca 0.09 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 3fdu h ALA 198 Cb 0.52 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3fdu h ALA 198 CO 0.03 0.34 -0.01 0.37 0.00 0.00 0.00 179.25 179.97 3fdu h GLN 199 N 0.86 0.89 -0.17 0.00 5.75 -1.10 -1.20 115.11 120.13 3fdu h GLN 199 Ca 0.22 -0.26 -0.13 0.00 -0.15 0.00 0.00 58.65 58.33 3fdu h GLN 199 Cb 0.06 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 28.52 3fdu h GLN 199 CO -0.03 0.89 -0.41 0.00 -2.65 0.00 0.00 178.83 176.63 3fdu h ALA 200 N 1.16 0.27 -0.66 3.38 0.00 -0.61 -1.67 119.26 121.14 3fdu h ALA 200 Ca 0.15 -0.46 0.06 0.00 0.00 0.00 0.00 54.91 54.66 3fdu h ALA 200 Cb 0.51 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 3fdu h ALA 200 CO 0.03 0.38 0.36 1.15 0.00 0.00 0.00 179.25 181.17 3fdu h THR 201 N 0.22 0.96 0.00 0.00 2.02 -1.11 -1.23 112.91 113.78 3fdu h THR 201 Ca -0.00 -0.23 -0.05 0.00 0.77 0.00 0.00 66.41 66.89 3fdu h THR 201 Cb 1.02 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 67.65 3fdu h THR 201 CO 0.09 0.12 -0.26 0.00 0.37 0.00 0.00 175.52 175.84 3fdu h ALA 202 N 1.34 1.53 0.01 6.16 0.00 -0.93 -1.88 119.26 125.50 3fdu h ALA 202 Ca 0.29 -0.24 -0.24 0.00 0.00 0.00 0.00 54.91 54.73 3fdu h ALA 202 Cb 0.19 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.94 3fdu h ALA 202 CO -0.18 0.33 -0.99 1.96 0.00 0.00 0.00 179.25 180.37 3fdu h GLN 203 N 0.00 0.45 -0.39 0.00 4.20 -0.81 -0.76 115.11 117.80 3fdu h GLN 203 Ca -0.00 -0.50 -0.00 0.00 0.06 0.00 0.00 58.65 58.20 3fdu h GLN 203 Cb 0.47 0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.38 3fdu h GLN 203 CO 0.03 1.15 0.22 1.25 -0.67 0.00 0.00 178.83 180.82 3fdu h HIS 204 N 0.24 0.52 -0.33 2.96 2.76 -0.99 -2.88 115.15 117.43 3fdu h HIS 204 Ca -0.09 -0.01 -0.11 0.00 -2.20 0.00 0.00 60.37 57.96 3fdu h HIS 204 Cb 1.63 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 30.41 3fdu h HIS 204 CO 0.07 0.39 -0.26 -0.07 -1.30 0.00 0.00 177.93 176.75 3fdu h LEU 205 N 0.50 0.68 -1.86 0.26 3.38 -1.22 -2.88 115.31 114.18 3fdu h LEU 205 Ca 0.14 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 3fdu h LEU 205 Cb 0.03 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 3fdu h LEU 205 CO -0.02 0.92 -0.14 0.71 0.09 0.00 0.00 178.44 180.00 3fdu h THR 206 N 0.58 0.75 0.00 0.22 1.35 -1.11 -2.17 112.91 112.53 3fdu h THR 206 Ca 0.08 -0.54 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 3fdu h THR 206 Cb 0.75 1.32 0.00 0.00 -1.73 0.00 0.00 68.15 68.50 3fdu h THR 206 CO 0.06 0.13 0.00 0.00 -0.25 0.00 0.00 175.52 175.46 3fdu n ALA 207 N -2.35 2.03 -2.67 6.62 0.00 -1.09 -4.85 120.51 118.19 3fdu n ALA 207 Ca -0.02 -0.08 -0.20 0.00 0.00 0.00 0.00 53.44 53.14 3fdu n ALA 207 Cb 0.23 -1.36 -0.02 0.00 0.00 0.00 0.00 19.45 18.31 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 -2.96 4.05 -0.02 0.00 1.43 -0.82 -5.02 118.68 115.34 3fdu s LEU 208 Ca 0.12 -0.13 -0.30 0.00 -1.03 0.00 0.00 54.13 52.79 3fdu s LEU 208 Cb 0.15 -2.71 -0.07 0.00 0.03 0.00 0.00 46.19 43.58 3fdu s LEU 208 CO 0.40 -0.27 1.81 -2.84 0.23 0.00 0.00 176.35 175.68 3fdu s PRO 209 N -4.07 4.12 0.33 1.29 0.02 -1.26 -4.85 135.00 130.58 3fdu s PRO 209 Ca 0.40 2.37 0.01 0.00 0.02 0.00 0.00 61.00 63.80 3fdu s PRO 209 Cb -0.09 -4.08 0.56 0.00 0.02 0.00 0.00 34.50 30.91 3fdu s PRO 209 CO 0.30 -0.95 1.96 1.25 -0.33 0.00 0.00 177.00 179.22 3fdu h LEU 210 N 10.60 0.74 -0.97 -5.54 6.46 -1.91 -1.13 115.31 123.56 3fdu h LEU 210 Ca -0.44 -0.05 -0.02 0.00 -0.12 0.00 0.00 57.88 57.25 3fdu h LEU 210 Cb 1.21 -0.19 -0.04 0.00 -0.73 0.00 0.00 40.66 40.91 3fdu h LEU 210 CO 0.95 0.60 0.42 0.00 -0.62 0.00 0.00 178.44 179.79 3fdu h ALA 211 N 1.52 1.21 -0.29 1.25 0.00 -1.99 0.39 119.26 121.36 3fdu h ALA 211 Ca 0.22 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 3fdu h ALA 211 Cb 0.02 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 3fdu h ALA 211 CO -0.04 0.62 -0.18 0.77 0.00 0.00 0.00 179.25 180.42 3fdu h SER 212 N 1.15 0.66 -0.40 0.00 0.02 -1.61 -2.02 113.55 111.34 3fdu h SER 212 Ca 0.29 -0.43 -0.03 0.00 -0.84 0.00 0.00 61.79 60.78 3fdu h SER 212 Cb 0.06 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.40 3fdu h SER 212 CO -0.04 0.95 0.15 -0.07 -1.14 0.00 0.00 176.83 176.68 3fdu h LEU 213 N 0.37 0.56 0.26 5.07 3.38 -1.13 0.23 115.31 124.05 3fdu h LEU 213 Ca 0.06 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 3fdu h LEU 213 Cb 0.72 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 3fdu h LEU 213 CO 0.05 0.59 -0.17 0.50 0.09 0.00 0.00 178.44 179.50 3fdu h LYS 214 N 0.51 -0.40 -0.32 1.13 3.64 -0.93 -0.93 116.57 119.27 3fdu h LYS 214 Ca 0.13 0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.44 3fdu h LYS 214 Cb 0.20 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 3fdu h LYS 214 CO -0.01 -0.27 -0.24 0.37 -2.27 0.00 0.00 179.45 177.03 3fdu h GLN 215 N -0.42 0.62 -0.40 1.90 5.75 -1.26 -0.86 115.11 120.44 3fdu h GLN 215 Ca -0.02 -0.24 -0.02 0.00 -0.15 0.00 0.00 58.65 58.22 3fdu h GLN 215 Cb 0.35 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.85 3fdu h GLN 215 CO 0.02 0.81 0.18 1.15 -2.65 0.00 0.00 178.83 178.34 3fdu h THR 216 N 0.54 1.18 -0.59 2.39 2.02 -0.78 -2.37 112.91 115.31 3fdu h THR 216 Ca 0.08 -0.53 -0.10 0.00 0.77 0.00 0.00 66.41 66.63 3fdu h THR 216 Cb 0.70 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.88 3fdu h THR 216 CO 0.05 0.20 -0.03 0.50 0.37 0.00 0.00 175.52 176.61 3fdu h LYS 217 N 0.50 1.07 -0.62 6.66 3.64 -1.00 -1.51 116.57 125.31 3fdu h LYS 217 Ca 0.14 -0.36 -0.04 0.00 -1.27 0.00 0.00 60.65 59.12 3fdu h LYS 217 Cb 0.14 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.84 3fdu h LYS 217 CO -0.02 1.06 0.24 0.00 -2.27 0.00 0.00 179.45 178.46 3fdu h ALA 218 N 0.97 1.25 -0.18 5.00 0.00 -1.08 0.18 119.26 125.40 3fdu h ALA 218 Ca 0.16 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3fdu h ALA 218 Cb 0.60 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3fdu h ALA 218 CO 0.04 0.55 -0.02 -0.07 0.00 0.00 0.00 179.25 179.75 3fdu h LEU 219 N 0.90 0.33 -1.19 0.00 3.38 -1.17 -2.08 115.31 115.47 3fdu h LEU 219 Ca 0.21 -0.34 0.09 0.00 0.09 0.00 0.00 57.88 57.93 3fdu h LEU 219 Cb 0.19 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 40.79 3fdu h LEU 219 CO -0.02 0.59 0.57 0.24 0.09 0.00 0.00 178.44 179.91 3fdu h MET 220 N 0.06 0.88 -1.33 1.13 2.86 -0.89 -2.61 114.93 115.03 3fdu h MET 220 Ca 0.05 -0.05 -0.68 0.00 -2.06 0.00 0.00 59.70 56.95 3fdu h MET 220 Cb 0.43 -0.20 -0.32 0.00 0.06 0.00 0.00 31.60 31.58 3fdu h MET 220 CO 0.01 0.58 0.54 1.63 1.06 0.00 0.00 176.91 180.74 3fdu n LYS 221 N -4.52 2.91 0.09 1.72 5.02 0.60 -4.70 118.16 119.28 3fdu n LYS 221 Ca 0.15 -3.60 0.17 0.00 -2.02 0.00 0.00 58.31 53.00 3fdu n LYS 221 Cb 0.28 -2.28 0.69 0.00 -0.02 0.00 0.00 35.03 33.71 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 2.39 0.00 -0.73 2.13 2.07 -0.97 -1.39 115.15 118.65 3fdu h HIS 222 Ca 0.53 0.00 -0.34 0.00 -2.85 0.00 0.00 60.37 57.71 3fdu h HIS 222 Cb 0.68 0.00 -0.20 0.00 2.57 0.00 0.00 27.41 30.45 3fdu h HIS 222 CO 1.22 0.00 0.44 -0.40 -3.07 0.00 0.00 177.93 176.11 3fdu n ASP 223 N -4.36 3.77 -0.30 3.10 5.75 -1.26 -4.66 116.55 118.58 3fdu n ASP 223 Ca 0.06 -3.18 0.16 0.00 -0.01 0.00 0.00 54.79 51.82 3fdu n ASP 223 Cb 0.45 -0.75 0.42 0.00 -1.03 0.00 0.00 41.12 40.20 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 1.34 0.60 -0.68 -2.12 5.85 -1.63 -1.15 115.31 117.51 3fdu h LEU 224 Ca 0.42 0.07 -0.12 0.00 0.84 0.00 0.00 57.88 59.09 3fdu h LEU 224 Cb 2.35 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 43.32 3fdu h LEU 224 CO 0.80 0.23 -0.30 0.44 -0.34 0.00 0.00 178.44 179.26 3fdu h ASP 225 N 0.59 0.71 -0.65 1.25 3.32 -1.87 -0.86 116.42 118.91 3fdu h ASP 225 Ca 0.52 -0.28 -0.01 0.00 0.02 0.00 0.00 57.03 57.28 3fdu h ASP 225 Cb 1.03 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 40.36 3fdu h ASP 225 CO -0.27 0.97 0.36 1.56 -1.72 0.00 0.00 179.24 180.14 3fdu h GLN 226 N 0.59 0.91 -0.24 3.56 7.50 -1.61 -1.27 115.11 124.53 3fdu h GLN 226 Ca 0.07 -0.10 0.04 0.00 0.50 0.00 0.00 58.65 59.16 3fdu h GLN 226 Cb 0.81 -0.18 -0.04 0.00 0.05 0.00 0.00 27.48 28.12 3fdu h GLN 226 CO 0.07 0.68 -0.01 0.82 -1.50 0.00 0.00 178.83 178.89 3fdu h ILE 227 N 0.89 0.82 -0.72 2.54 2.04 -0.93 -1.38 117.51 120.77 3fdu h ILE 227 Ca 0.23 -0.02 -0.06 0.00 1.00 0.00 0.00 64.86 66.01 3fdu h ILE 227 Cb 0.03 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 36.82 3fdu h ILE 227 CO -0.04 0.01 0.21 0.40 0.00 0.00 0.00 178.15 178.74 3fdu h ILE 228 N 0.07 1.26 -0.71 -0.67 1.08 -1.06 -1.60 117.51 115.88 3fdu h ILE 228 Ca 0.12 -0.92 0.00 0.00 -0.39 0.00 0.00 64.86 63.67 3fdu h ILE 228 Cb 0.15 0.49 -0.04 0.00 -3.07 0.00 0.00 36.82 34.35 3fdu h ILE 228 CO -0.20 0.36 0.45 -0.08 -0.69 0.00 0.00 178.15 177.99 3fdu h GLU 229 N 1.07 0.95 -0.29 2.37 4.81 -1.01 -1.34 114.58 121.15 3fdu h GLU 229 Ca 0.23 -0.07 -0.14 0.00 -0.13 0.00 0.00 59.36 59.25 3fdu h GLU 229 Cb 0.32 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.49 3fdu h GLU 229 CO -0.01 0.64 -0.37 0.00 -0.73 0.00 0.00 179.01 178.55 3fdu h ILE 231 N 0.50 0.94 -0.47 0.00 2.04 -0.90 -0.07 117.51 119.55 3fdu h ILE 231 Ca 0.03 -0.14 -0.12 0.00 1.00 0.00 0.00 64.86 65.63 3fdu h ILE 231 Cb 0.96 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 3fdu h ILE 231 CO 0.09 0.08 -0.19 0.44 0.00 0.00 0.00 178.15 178.56 3fdu h ASP 232 N 0.41 0.95 0.05 1.72 3.32 -1.15 -0.18 116.42 121.55 3fdu h ASP 232 Ca 0.20 -0.34 -0.00 0.00 0.02 0.00 0.00 57.03 56.90 3fdu h ASP 232 Cb 0.13 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.42 3fdu h ASP 232 CO -0.16 1.11 -0.03 -0.74 -1.72 0.00 0.00 179.24 177.71 3fdu h HIS 233 N 0.82 -0.06 -0.61 4.55 2.76 -0.59 -1.88 115.15 120.13 3fdu h HIS 233 Ca 0.11 -0.00 0.08 0.00 -2.20 0.00 0.00 60.37 58.36 3fdu h HIS 233 Cb 0.75 0.02 -0.06 0.00 1.55 0.00 0.00 27.41 29.66 3fdu h HIS 233 CO 0.05 0.08 0.26 0.93 -1.30 0.00 0.00 177.93 177.95 3fdu h GLU 234 N -0.20 0.46 -0.58 5.26 5.08 -0.94 -2.53 114.58 121.13 3fdu h GLU 234 Ca -0.01 -0.03 0.12 0.00 -1.00 0.00 0.00 59.36 58.44 3fdu h GLU 234 Cb 0.17 -0.10 -0.09 0.00 0.50 0.00 0.00 28.75 29.23 3fdu h GLU 234 CO 0.01 0.30 0.04 0.00 -1.00 0.00 0.00 179.01 178.37 3fdu h ALA 235 N 1.38 0.61 -0.62 3.43 0.00 -0.73 0.31 119.26 123.64 3fdu h ALA 235 Ca 0.30 0.16 -0.08 0.00 0.00 0.00 0.00 54.91 55.28 3fdu h ALA 235 Cb 0.31 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 3fdu h ALA 235 CO -0.26 -0.37 0.06 1.05 0.00 0.00 0.00 179.25 179.73 3fdu h GLU 236 N 0.16 1.06 -0.23 0.00 4.11 -0.93 -1.02 114.58 117.73 3fdu h GLU 236 Ca 0.30 -0.31 -0.01 0.00 0.07 0.00 0.00 59.36 59.41 3fdu h GLU 236 Cb 0.48 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 3fdu h GLU 236 CO -0.46 1.01 0.09 0.82 0.07 0.00 0.00 179.01 180.54 3fdu h ILE 237 N 0.96 1.16 -0.39 -1.06 2.04 -1.24 -2.89 117.51 116.09 3fdu h ILE 237 Ca 0.18 -0.48 0.07 0.00 1.00 0.00 0.00 64.86 65.64 3fdu h ILE 237 Cb 0.49 1.06 -0.07 0.00 -0.74 0.00 0.00 36.82 37.57 3fdu h ILE 237 CO 0.02 0.16 -0.03 0.15 0.00 0.00 0.00 178.15 178.45 3fdu h PHE 238 N 0.22 -0.07 0.00 1.37 3.57 -0.07 -2.35 116.94 119.61 3fdu h PHE 238 Ca 0.08 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.55 3fdu h PHE 238 Cb 0.16 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 3fdu h PHE 238 CO -0.01 -0.10 -0.27 0.52 -2.23 0.00 0.00 178.31 176.21 3fdu h MET 239 N 0.07 0.00 -0.01 1.11 2.86 -1.13 -1.20 114.93 116.62 3fdu h MET 239 Ca 0.19 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.83 3fdu h MET 239 Cb 0.28 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.94 3fdu h MET 239 CO -0.35 0.27 0.01 1.96 1.06 0.00 0.00 176.91 179.86 3fdu h GLN 240 N 0.00 0.02 -0.76 1.72 4.20 -1.24 -3.00 115.11 116.04 3fdu h GLN 240 Ca -0.00 -0.00 0.10 0.00 0.06 0.00 0.00 58.65 58.81 3fdu h GLN 240 Cb 0.54 -0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.26 3fdu h GLN 240 CO 0.04 0.18 0.50 0.00 -0.67 0.00 0.00 178.83 178.87 3fdu h ARG 241 N -0.14 0.63 0.00 1.46 2.47 -0.81 0.13 114.38 118.12 3fdu h ARG 241 Ca 0.00 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.69 3fdu h ARG 241 Cb 0.17 -0.14 0.00 0.00 -1.65 0.00 0.00 29.97 28.34 3fdu h ARG 241 CO -0.00 0.42 0.19 0.28 0.56 0.00 0.00 179.97 181.42 3fdu h VAL 242 N 0.65 0.00 -0.44 2.04 2.07 -1.11 0.49 116.25 119.95 3fdu h VAL 242 Ca 0.35 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.87 3fdu h VAL 242 Cb 0.51 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 3fdu h VAL 242 CO -0.13 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.46 3fdu n GLN 243 N -2.63 3.26 -2.13 1.57 6.02 0.45 -4.92 117.38 119.00 3fdu n GLN 243 Ca -0.02 -2.63 -0.32 0.00 -0.01 0.00 0.00 57.00 54.02 3fdu n GLN 243 Cb 0.23 -1.70 -0.01 0.00 1.02 0.00 0.00 30.24 29.78 3fdu n GLN 243 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3fdu s SER 244 N -1.26 6.42 0.17 1.08 1.04 0.17 -4.98 113.70 116.35 3fdu s SER 244 Ca 0.40 1.50 -0.15 0.00 0.48 0.00 0.00 55.95 58.18 3fdu s SER 244 Cb 0.27 -2.49 0.06 0.00 0.10 0.00 0.00 66.02 63.96 3fdu s SER 244 CO 0.17 -0.73 1.83 -0.65 0.98 0.00 0.00 173.24 174.83 3fdu h PRO 245 N 0.30 0.62 -0.52 4.02 0.11 -1.95 -2.51 132.00 132.06 3fdu h PRO 245 Ca -0.45 -0.04 0.10 0.00 0.11 0.00 0.00 66.00 65.72 3fdu h PRO 245 Cb 1.19 -0.14 -0.10 0.00 0.11 0.00 0.00 31.00 32.06 3fdu h PRO 245 CO 0.62 0.41 -0.15 0.93 -0.21 0.00 0.00 178.00 179.60 3fdu h GLU 246 N 0.64 -0.02 -0.00 1.05 3.07 -1.91 -3.52 114.58 113.88 3fdu h GLU 246 Ca 0.18 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.04 3fdu h GLU 246 Cb -0.05 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.86 3fdu h GLU 246 CO -0.05 -0.01 0.00 -0.12 -1.40 0.00 0.00 179.01 177.43