#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fdu s LEU 9 N 0.00 4.47 0.03 1.04 2.96 -1.26 -5.06 118.68 120.87 3fdu s LEU 9 Ca 0.00 1.70 -0.11 0.00 -0.22 0.00 0.00 54.13 55.50 3fdu s LEU 9 Cb 0.00 -3.50 0.01 0.00 0.50 0.00 0.00 46.19 43.20 3fdu s LEU 9 CO 0.00 -0.07 0.24 -1.00 -1.32 0.00 0.00 176.35 174.20 3fdu s HIS 10 N 0.11 -0.02 0.78 5.38 3.76 -1.26 -5.15 115.29 118.88 3fdu s HIS 10 Ca 0.46 -0.13 -0.11 0.00 -0.15 0.00 0.00 55.06 55.13 3fdu s HIS 10 Cb -0.22 0.02 0.06 0.00 1.11 0.00 0.00 32.58 33.55 3fdu s HIS 10 CO 0.28 -0.44 1.08 -1.25 -0.85 0.00 0.00 174.74 173.56 3fdu s PRO 11 N -2.36 2.23 -0.09 8.40 0.04 -1.26 -4.01 135.00 137.95 3fdu s PRO 11 Ca -0.06 0.98 0.00 0.00 0.04 0.00 0.00 61.00 61.96 3fdu s PRO 11 Cb -0.02 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.61 3fdu s PRO 11 CO -0.03 -1.61 0.00 0.72 0.04 0.00 0.00 177.00 176.13 3fdu n HIS 12 N -3.48 0.00 -3.36 0.56 8.25 -1.26 -4.96 115.22 110.98 3fdu n HIS 12 Ca 0.08 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.47 3fdu n HIS 12 Cb 0.54 -0.57 -0.07 0.00 1.12 0.00 0.00 29.99 31.01 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 -0.19 -0.77 -0.13 2.41 2.96 -1.26 -1.58 118.68 120.13 3fdu s LEU 13 Ca 0.00 0.44 -0.07 0.00 -0.22 0.00 0.00 54.13 54.27 3fdu s LEU 13 Cb 0.00 1.33 -0.04 0.00 0.50 0.00 0.00 46.19 47.98 3fdu s LEU 13 CO 0.00 -0.28 0.14 0.20 -1.32 0.00 0.00 176.35 175.08 3fdu s ASN 14 N 2.61 6.38 -0.04 3.68 0.01 -0.28 -4.71 114.94 122.58 3fdu s ASN 14 Ca 0.12 0.45 0.05 0.00 -0.71 0.00 0.00 52.86 52.77 3fdu s ASN 14 Cb -0.15 -2.07 -0.01 0.00 0.41 0.00 0.00 41.25 39.43 3fdu s ASN 14 CO -0.16 0.39 -0.18 0.00 -1.51 0.00 0.00 177.10 175.64 3fdu s ALA 15 N -0.93 1.55 -0.02 0.60 0.00 -1.26 -1.18 121.76 120.51 3fdu s ALA 15 Ca 0.15 -0.72 0.01 0.00 0.00 0.00 0.00 51.96 51.39 3fdu s ALA 15 Cb -0.12 -0.49 0.02 0.00 0.00 0.00 0.00 23.12 22.53 3fdu s ALA 15 CO 0.04 0.30 -0.01 1.21 0.00 0.00 0.00 175.76 177.29 3fdu s ASN 16 N -0.04 0.41 -0.17 0.00 2.47 -0.75 -4.99 114.94 111.86 3fdu s ASN 16 Ca -0.02 -0.04 0.01 0.00 0.42 0.00 0.00 52.86 53.23 3fdu s ASN 16 Cb -0.11 -0.18 0.02 0.00 -1.45 0.00 0.00 41.25 39.54 3fdu s ASN 16 CO 0.02 -0.06 -0.16 -0.22 -3.72 0.00 0.00 177.10 172.96 3fdu s LEU 17 N 0.70 1.94 -0.11 3.21 2.96 -1.26 -0.21 118.68 125.91 3fdu s LEU 17 Ca -0.07 -0.59 -0.07 0.00 -0.22 0.00 0.00 54.13 53.18 3fdu s LEU 17 Cb -0.10 -1.31 0.04 0.00 0.50 0.00 0.00 46.19 45.32 3fdu s LEU 17 CO -0.01 -0.04 0.26 -0.70 -1.32 0.00 0.00 176.35 174.54 3fdu s GLU 18 N 1.39 0.25 -1.56 1.98 2.12 -0.78 -4.92 118.70 117.19 3fdu s GLU 18 Ca 0.04 0.50 -0.15 0.00 0.36 0.00 0.00 54.97 55.73 3fdu s GLU 18 Cb -0.13 -0.04 0.10 0.00 0.26 0.00 0.00 34.13 34.32 3fdu s GLU 18 CO -0.11 -0.13 0.92 0.41 -0.54 0.00 0.00 175.26 175.80 3fdu n GLY 19 N 3.87 -0.49 3.13 -1.50 0.00 -1.26 -1.13 105.19 107.81 3fdu n GLY 19 Ca -0.22 0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.60 1.37 3.54 -0.02 0.00 -1.26 -4.96 105.19 102.26 3fdu n GLY 20 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.47 5.14 -0.31 1.61 1.01 -0.28 -0.08 120.40 124.03 3fdu s VAL 21 Ca 0.00 0.05 -0.16 0.00 0.00 0.00 0.00 61.98 61.87 3fdu s VAL 21 Cb 0.00 -3.86 -0.02 0.00 0.00 0.00 0.00 36.38 32.50 3fdu s VAL 21 CO 0.00 -0.13 0.41 -0.22 0.00 0.00 0.00 175.10 175.16 3fdu s LEU 22 N 2.07 4.21 -0.25 3.92 2.96 -0.05 -1.86 118.68 129.69 3fdu s LEU 22 Ca 0.13 0.10 -0.07 0.00 -0.22 0.00 0.00 54.13 54.07 3fdu s LEU 22 Cb -0.16 -2.46 -0.03 0.00 0.50 0.00 0.00 46.19 44.04 3fdu s LEU 22 CO 0.12 -0.30 0.07 -0.89 -1.32 0.00 0.00 176.35 174.03 3fdu s THR 23 N 2.15 4.33 -0.26 3.68 2.01 0.70 -0.35 115.64 127.89 3fdu s THR 23 Ca 0.15 -0.17 -0.08 0.00 0.31 0.00 0.00 61.69 61.91 3fdu s THR 23 Cb -0.16 -3.02 -0.02 0.00 0.01 0.00 0.00 72.50 69.31 3fdu s THR 23 CO 0.11 0.34 0.08 -0.76 -0.69 0.00 0.00 174.62 173.70 3fdu s LEU 24 N 1.58 3.58 -0.16 4.42 1.43 0.15 -1.81 118.68 127.88 3fdu s LEU 24 Ca 0.06 -0.33 0.01 0.00 -1.03 0.00 0.00 54.13 52.84 3fdu s LEU 24 Cb -0.15 -1.93 0.02 0.00 0.03 0.00 0.00 46.19 44.16 3fdu s LEU 24 CO 0.04 -0.08 -0.16 0.00 0.23 0.00 0.00 176.35 176.37 3fdu s ALA 25 N 1.60 2.03 0.10 4.21 0.00 -0.32 -1.62 121.76 127.75 3fdu s ALA 25 Ca 0.06 -1.01 -0.31 0.00 0.00 0.00 0.00 51.96 50.69 3fdu s ALA 25 Cb -0.16 -1.09 -0.07 0.00 0.00 0.00 0.00 23.12 21.80 3fdu s ALA 25 CO 0.04 -0.36 1.33 0.42 0.00 0.00 0.00 175.76 177.19 3fdu s ILE 26 N 1.39 3.53 -0.44 0.00 1.01 -0.23 -1.12 121.20 125.35 3fdu s ILE 26 Ca 0.05 1.10 0.06 0.00 0.00 0.00 0.00 60.65 61.85 3fdu s ILE 26 Cb -0.13 -3.70 0.20 0.00 0.01 0.00 0.00 42.46 38.84 3fdu s ILE 26 CO -0.11 0.08 0.44 -3.20 0.00 0.00 0.00 174.94 172.15 3fdu n ASN 27 N 3.97 0.28 -3.19 3.58 5.15 -0.62 -0.25 115.26 124.18 3fdu n ASN 27 Ca 0.11 -2.61 -0.23 0.00 -0.60 0.00 0.00 54.58 51.25 3fdu n ASN 27 Cb 0.44 -0.61 -0.05 0.00 -0.53 0.00 0.00 39.78 39.03 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 2.15 1.29 0.08 1.20 0.63 -1.26 -4.07 116.66 116.67 3fdu n ARG 28 Ca 0.26 -3.63 0.04 0.00 -0.92 0.00 0.00 57.85 53.60 3fdu n ARG 28 Cb 0.48 -1.62 0.44 0.00 0.45 0.00 0.00 32.46 32.21 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 3.57 0.35 0.00 -0.14 0.13 -1.94 0.25 132.00 134.23 3fdu h PRO 29 Ca 0.10 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 3fdu h PRO 29 Cb 0.85 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.91 3fdu h PRO 29 CO 0.56 0.32 0.09 0.93 -0.23 0.00 0.00 178.00 179.67 3fdu h GLU 30 N 0.35 0.00 0.00 0.86 3.07 -2.02 -1.19 114.58 115.66 3fdu h GLU 30 Ca 0.09 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.95 3fdu h GLU 30 Cb 0.12 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.03 3fdu h GLU 30 CO -0.01 0.00 -0.08 0.00 -1.40 0.00 0.00 179.01 177.52 3fdu n ALA 31 N -2.01 2.21 -4.26 3.43 0.00 -0.72 -4.97 120.51 114.20 3fdu n ALA 31 Ca -0.03 -2.33 -0.34 0.00 0.00 0.00 0.00 53.44 50.75 3fdu n ALA 31 Cb 0.15 -0.39 -0.06 0.00 0.00 0.00 0.00 19.45 19.15 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 -1.18 -2.11 -1.58 0.00 5.02 -0.45 -1.84 118.16 116.02 3fdu n LYS 32 Ca 0.13 0.26 -0.15 0.00 -2.02 0.00 0.00 58.31 56.53 3fdu n LYS 32 Cb 0.64 -4.51 -0.05 0.00 -0.02 0.00 0.00 35.03 31.09 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 -2.75 -4.77 -4.69 4.39 4.13 -0.00 -1.31 115.26 110.26 3fdu n ASN 33 Ca -0.10 0.31 -0.42 0.00 1.68 0.00 0.00 54.58 56.05 3fdu n ASN 33 Cb 0.58 -3.65 0.00 0.00 -1.54 0.00 0.00 39.78 35.17 3fdu n ASN 33 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3fdu n ALA 34 N 0.78 1.22 -2.80 5.41 0.00 -0.77 -3.74 120.51 120.61 3fdu n ALA 34 Ca -0.16 0.32 -0.35 0.00 0.00 0.00 0.00 53.44 53.25 3fdu n ALA 34 Cb 0.52 -2.25 -0.09 0.00 0.00 0.00 0.00 19.45 17.63 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 -1.22 3.92 0.33 0.00 1.43 0.12 -4.73 118.68 118.53 3fdu s LEU 35 Ca 0.58 0.18 0.07 0.00 -1.03 0.00 0.00 54.13 53.94 3fdu s LEU 35 Cb -0.55 -1.97 -0.03 0.00 0.03 0.00 0.00 46.19 43.67 3fdu s LEU 35 CO 0.60 0.26 0.27 -0.72 0.23 0.00 0.00 176.35 177.00 3fdu s TYR 36 N -0.14 2.89 0.09 0.29 -0.85 -1.26 -0.68 117.35 117.69 3fdu s TYR 36 Ca 0.08 -0.30 -0.17 0.00 -0.52 0.00 0.00 57.07 56.16 3fdu s TYR 36 Cb -0.12 -1.76 -0.04 0.00 0.38 0.00 0.00 41.96 40.42 3fdu s TYR 36 CO 0.01 0.22 1.05 0.41 -1.52 0.00 0.00 175.55 175.71 3fdu n GLY 37 N -1.34 -2.06 0.19 5.49 0.00 -1.26 -1.34 105.19 104.86 3fdu n GLY 37 Ca -0.02 0.77 0.04 0.00 0.00 0.00 0.00 46.02 46.81 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 -0.36 1.61 5.08 -2.00 -2.81 114.58 116.11 3fdu h GLU 38 Ca 0.09 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.30 3fdu h GLU 38 Cb 0.23 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 3fdu h GLU 38 CO -0.52 0.39 -0.37 1.25 -1.00 0.00 0.00 179.01 178.76 3fdu h LEU 39 N 0.00 0.94 -0.72 1.33 5.85 -1.62 -0.38 115.31 120.71 3fdu h LEU 39 Ca -0.00 -0.47 0.14 0.00 0.84 0.00 0.00 57.88 58.39 3fdu h LEU 39 Cb 0.77 -0.27 -0.10 0.00 0.37 0.00 0.00 40.66 41.43 3fdu h LEU 39 CO 0.05 1.22 0.24 1.88 -0.34 0.00 0.00 178.44 181.49 3fdu h TYR 40 N 0.68 0.39 -0.43 1.25 0.05 -1.14 -0.17 116.97 117.60 3fdu h TYR 40 Ca 0.05 0.04 -0.13 0.00 0.05 0.00 0.00 58.73 58.74 3fdu h TYR 40 Cb 0.96 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 38.63 3fdu h TYR 40 CO 0.07 0.00 -0.26 -0.07 -1.05 0.00 0.00 178.16 176.84 3fdu h LEU 41 N 0.36 0.94 -0.60 3.88 3.38 -1.32 -0.26 115.31 121.69 3fdu h LEU 41 Ca 0.40 -0.37 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 3fdu h LEU 41 Cb 0.63 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 3fdu h LEU 41 CO -0.44 1.14 0.26 -0.50 0.09 0.00 0.00 178.44 178.99 3fdu h TRP 42 N 0.77 0.90 -0.47 1.13 6.55 -0.58 0.16 115.95 124.42 3fdu h TRP 42 Ca 0.09 -0.06 -0.02 0.00 0.95 0.00 0.00 58.89 59.85 3fdu h TRP 42 Cb 0.83 -0.27 -0.02 0.00 -0.86 0.00 0.00 29.16 28.83 3fdu h TRP 42 CO 0.05 0.70 0.20 0.82 -1.05 0.00 0.00 178.44 179.16 3fdu h ILE 43 N 0.83 1.20 -0.63 1.49 2.04 -0.82 -2.06 117.51 119.56 3fdu h ILE 43 Ca 0.20 -0.61 0.05 0.00 1.00 0.00 0.00 64.86 65.50 3fdu h ILE 43 Cb 0.17 0.74 -0.05 0.00 -0.74 0.00 0.00 36.82 36.94 3fdu h ILE 43 CO -0.02 0.23 0.36 0.00 0.00 0.00 0.00 178.15 178.72 3fdu h ALA 44 N 1.04 0.84 -0.65 1.87 0.00 -0.74 -2.01 119.26 119.61 3fdu h ALA 44 Ca 0.16 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 3fdu h ALA 44 Cb 0.18 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3fdu h ALA 44 CO -0.01 0.05 0.08 0.87 0.00 0.00 0.00 179.25 180.24 3fdu h LYS 45 N 0.68 1.08 -0.90 0.00 1.79 -0.56 -1.80 116.57 116.87 3fdu h LYS 45 Ca 0.28 -0.30 0.02 0.00 -2.18 0.00 0.00 60.65 58.47 3fdu h LYS 45 Cb 0.13 -0.12 -0.05 0.00 -1.58 0.00 0.00 32.23 30.61 3fdu h LYS 45 CO -0.16 1.01 0.59 0.00 -1.08 0.00 0.00 179.45 179.81 3fdu h ALA 46 N 1.03 1.17 -0.42 3.86 0.00 -1.08 0.11 119.26 123.94 3fdu h ALA 46 Ca 0.19 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3fdu h ALA 46 Cb 0.46 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3fdu h ALA 46 CO 0.02 0.49 0.24 -0.07 0.00 0.00 0.00 179.25 179.92 3fdu h LEU 47 N 1.17 0.51 -0.00 0.00 3.38 -1.14 0.58 115.31 119.81 3fdu h LEU 47 Ca 0.35 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.24 3fdu h LEU 47 Cb -0.06 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 3fdu h LEU 47 CO -0.10 0.43 0.00 0.44 0.09 0.00 0.00 178.44 179.31 3fdu h ASP 48 N 0.54 0.00 -0.74 -0.43 3.32 -0.91 -2.21 116.42 115.99 3fdu h ASP 48 Ca 0.15 -0.07 -0.05 0.00 0.02 0.00 0.00 57.03 57.08 3fdu h ASP 48 Cb 0.03 -0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.54 3fdu h ASP 48 CO -0.03 0.07 0.28 -0.33 -1.72 0.00 0.00 179.24 177.51 3fdu h GLU 49 N -0.07 1.12 -0.97 3.56 5.08 -0.79 -2.58 114.58 119.93 3fdu h GLU 49 Ca 0.00 -0.21 0.13 0.00 -1.00 0.00 0.00 59.36 58.27 3fdu h GLU 49 Cb 0.07 -0.18 -0.08 0.00 0.50 0.00 0.00 28.75 29.06 3fdu h GLU 49 CO -0.00 0.93 0.62 0.00 -1.00 0.00 0.00 179.01 179.56 3fdu h ALA 50 N 1.14 1.60 0.00 3.43 0.00 -0.71 -0.92 119.26 123.79 3fdu h ALA 50 Ca 0.25 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.12 3fdu h ALA 50 Cb 0.24 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3fdu h ALA 50 CO -0.02 0.15 -0.25 0.22 0.00 0.00 0.00 179.25 179.36 3fdu h ASP 51 N 0.92 0.00 0.69 0.00 3.58 -0.99 -2.51 116.42 118.11 3fdu h ASP 51 Ca 0.48 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.93 3fdu h ASP 51 Cb 0.54 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.59 3fdu h ASP 51 CO -0.25 0.25 -0.74 0.00 -2.88 0.00 0.00 179.24 175.62 3fdu n GLN 52 N -3.57 0.26 -2.85 0.28 1.13 -0.73 -4.89 117.38 107.01 3fdu n GLN 52 Ca -0.01 0.05 -0.42 0.00 -1.94 0.00 0.00 57.00 54.68 3fdu n GLN 52 Cb 0.39 -1.64 -0.04 0.00 0.11 0.00 0.00 30.24 29.07 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 -4.00 6.65 0.45 1.08 3.84 -0.43 -4.91 114.94 117.63 3fdu s ASN 53 Ca 0.06 0.55 0.29 0.00 0.21 0.00 0.00 52.86 53.97 3fdu s ASN 53 Cb 0.14 -2.45 1.10 0.00 -0.55 0.00 0.00 41.25 39.49 3fdu s ASN 53 CO 0.74 -0.81 1.86 0.07 -2.79 0.00 0.00 177.10 176.17 3fdu h LYS 54 N 8.44 0.00 0.00 0.43 5.09 -1.90 -0.88 116.57 127.74 3fdu h LYS 54 Ca -0.24 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.50 3fdu h LYS 54 Cb 1.08 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.41 3fdu h LYS 54 CO 0.96 0.00 0.00 -0.25 -2.09 0.00 0.00 179.45 178.07 3fdu n ASP 55 N -2.86 0.00 -4.62 7.07 8.00 -1.26 -4.78 116.55 118.10 3fdu n ASP 55 Ca 0.02 -0.40 -0.35 0.00 0.71 0.00 0.00 54.79 54.77 3fdu n ASP 55 Cb 0.33 -0.20 -0.10 0.00 -0.02 0.00 0.00 41.12 41.13 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 -2.40 4.91 -0.11 2.53 1.01 -0.34 -4.01 120.40 121.99 3fdu s VAL 56 Ca 0.34 0.02 0.06 0.00 0.00 0.00 0.00 61.98 62.40 3fdu s VAL 56 Cb 0.21 -3.25 -0.11 0.00 0.00 0.00 0.00 36.38 33.23 3fdu s VAL 56 CO 0.43 0.41 -0.02 0.54 0.00 0.00 0.00 175.10 176.46 3fdu n ARG 57 N 3.98 1.63 -4.23 2.72 1.74 0.88 -4.88 116.66 118.50 3fdu n ARG 57 Ca -0.16 0.02 -0.17 0.00 -0.77 0.00 0.00 57.85 56.77 3fdu n ARG 57 Cb 0.52 -1.26 -0.15 0.00 -1.02 0.00 0.00 32.46 30.56 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 -2.25 0.52 -0.12 1.55 1.01 -0.86 -4.20 120.40 116.05 3fdu s VAL 58 Ca -0.09 -0.27 -0.03 0.00 0.00 0.00 0.00 61.98 61.59 3fdu s VAL 58 Cb 0.04 -0.44 -0.03 0.00 0.00 0.00 0.00 36.38 35.94 3fdu s VAL 58 CO 0.37 0.15 -0.02 -0.69 0.00 0.00 0.00 175.10 174.91 3fdu s VAL 59 N -0.10 4.08 -0.12 2.92 1.01 -0.75 -0.87 120.40 126.57 3fdu s VAL 59 Ca 0.02 -0.31 0.03 0.00 0.00 0.00 0.00 61.98 61.71 3fdu s VAL 59 Cb -0.03 -2.75 -0.00 0.00 0.00 0.00 0.00 36.38 33.60 3fdu s VAL 59 CO -0.00 0.55 -0.21 -0.69 0.00 0.00 0.00 175.10 174.75 3fdu s VAL 60 N -0.28 2.31 -0.11 2.92 1.01 0.52 -0.69 120.40 126.08 3fdu s VAL 60 Ca 0.05 -0.92 0.03 0.00 0.00 0.00 0.00 61.98 61.14 3fdu s VAL 60 Cb -0.12 -1.92 -0.00 0.00 0.00 0.00 0.00 36.38 34.34 3fdu s VAL 60 CO 0.02 0.55 -0.21 -0.22 0.00 0.00 0.00 175.10 175.24 3fdu s LEU 61 N 0.48 2.26 0.36 3.92 2.96 -0.29 0.34 118.68 128.72 3fdu s LEU 61 Ca -0.14 -0.50 -0.16 0.00 -0.22 0.00 0.00 54.13 53.11 3fdu s LEU 61 Cb -0.17 -1.47 0.05 0.00 0.50 0.00 0.00 46.19 45.10 3fdu s LEU 61 CO 0.06 0.16 0.76 0.00 -1.32 0.00 0.00 176.35 176.00 3fdu s ARG 62 N 0.36 2.13 0.77 1.98 1.70 -0.64 -2.39 118.95 122.87 3fdu s ARG 62 Ca -0.17 -1.38 -0.11 0.00 -0.47 0.00 0.00 55.73 53.61 3fdu s ARG 62 Cb -0.17 0.61 0.05 0.00 -0.57 0.00 0.00 34.95 34.87 3fdu s ARG 62 CO 0.08 -0.99 1.09 0.20 -1.08 0.00 0.00 175.30 174.59 3fdu s GLY 63 N -3.05 1.64 0.23 3.88 0.00 -1.26 -1.06 107.32 107.70 3fdu s GLY 63 Ca 0.16 -0.11 0.10 0.00 0.00 0.00 0.00 44.72 44.86 3fdu s GLY 63 CO 0.11 0.28 1.53 0.00 0.00 0.00 0.00 173.10 175.02 3fdu h ALA 64 N -1.00 0.82 -3.00 3.20 0.00 -0.84 -3.42 119.26 115.01 3fdu h ALA 64 Ca -0.46 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 53.80 3fdu h ALA 64 Cb 1.25 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3fdu h ALA 64 CO 0.58 0.90 0.00 0.39 0.00 0.00 0.00 179.25 181.12 3fdu n GLU 65 N -3.69 0.00 0.00 0.00 -0.58 -1.26 -5.04 120.64 110.07 3fdu n GLU 65 Ca -0.01 0.00 0.14 0.00 -0.42 0.00 0.00 57.16 56.87 3fdu n GLU 65 Cb 0.70 0.00 0.57 0.00 -0.57 0.00 0.00 31.44 32.14 3fdu n GLU 65 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 3fdu n HIS 66 N 0.00 0.00 -4.12 -0.32 8.25 -1.26 -4.88 115.22 112.89 3fdu n HIS 66 Ca 0.00 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.31 3fdu n HIS 66 Cb 0.00 -0.16 -0.11 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 -2.45 1.23 -0.05 0.41 1.01 -1.25 -2.68 116.67 112.89 3fdu s ASP 67 Ca 0.29 -0.62 -0.03 0.00 0.71 0.00 0.00 52.55 52.91 3fdu s ASP 67 Cb 0.20 0.00 -0.01 0.00 1.01 0.00 0.00 42.92 44.12 3fdu s ASP 67 CO 0.47 -0.17 -0.05 0.15 0.21 0.00 0.00 175.17 175.78 3fdu h PHE 68 N 4.28 0.00 -1.92 4.23 3.57 -0.53 -3.35 116.94 123.22 3fdu h PHE 68 Ca -0.38 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.13 3fdu h PHE 68 Cb 1.20 0.00 -0.22 0.00 2.79 0.00 0.00 35.95 39.72 3fdu h PHE 68 CO 0.64 0.00 0.13 -0.08 -2.23 0.00 0.00 178.31 176.77 3fdu s THR 69 N -1.41 0.00 -1.97 4.41 -1.32 -0.42 -4.45 115.64 110.48 3fdu s THR 69 Ca -0.04 0.00 0.24 0.00 -1.21 0.00 0.00 61.69 60.68 3fdu s THR 69 Cb 0.01 -1.00 0.68 0.00 -1.51 0.00 0.00 72.50 70.67 3fdu s THR 69 CO 0.07 0.00 1.81 0.00 -2.21 0.00 0.00 174.62 174.29 3fdu n ALA 70 N 3.54 2.39 0.00 11.08 0.00 -0.43 -1.01 120.51 136.09 3fdu n ALA 70 Ca -0.17 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.12 3fdu n ALA 70 Cb 0.57 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.63 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 0.53 -1.80 3.72 0.00 0.00 -1.22 -4.63 105.19 101.79 3fdu n GLY 71 Ca 0.18 -1.96 -0.42 0.00 0.00 0.00 0.00 46.02 43.82 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 6.48 0.07 1.61 2.47 -1.26 -0.71 114.94 119.60 3fdu s ASN 72 Ca 0.00 2.76 -0.30 0.00 0.42 0.00 0.00 52.86 55.74 3fdu s ASN 72 Cb 0.00 -2.60 -0.09 0.00 -1.45 0.00 0.00 41.25 37.10 3fdu s ASN 72 CO 0.00 -0.89 1.91 -0.62 -3.72 0.00 0.00 177.10 173.78 3fdu s ASP 73 N 1.06 6.44 0.20 -4.21 2.15 0.14 -4.73 116.67 117.71 3fdu s ASP 73 Ca 0.71 2.70 0.01 0.00 0.43 0.00 0.00 52.55 56.40 3fdu s ASP 73 Cb -0.47 -2.54 0.11 0.00 -0.30 0.00 0.00 42.92 39.72 3fdu s ASP 73 CO 0.34 -1.03 1.47 -0.03 -0.17 0.00 0.00 175.17 175.74 3fdu h MET 74 N 9.82 0.32 0.17 4.34 1.85 -1.91 0.10 114.93 129.63 3fdu h MET 74 Ca -0.48 -0.26 -0.01 0.00 -0.61 0.00 0.00 59.70 58.35 3fdu h MET 74 Cb 1.23 0.05 0.00 0.00 0.43 0.00 0.00 31.60 33.31 3fdu h MET 74 CO 0.94 0.90 -0.08 0.87 -0.40 0.00 0.00 176.91 179.14 3fdu h LYS 75 N 0.22 -0.22 -0.43 0.39 1.57 -2.00 -1.44 116.57 114.67 3fdu h LYS 75 Ca -0.02 0.01 0.08 0.00 -1.87 0.00 0.00 60.65 58.86 3fdu h LYS 75 Cb 1.26 0.05 -0.08 0.00 0.08 0.00 0.00 32.23 33.54 3fdu h LYS 75 CO 0.11 -0.14 -0.09 0.22 -0.57 0.00 0.00 179.45 178.99 3fdu h ASP 76 N -0.23 -0.36 -0.85 0.86 3.58 -1.91 -2.33 116.42 115.17 3fdu h ASP 76 Ca -0.02 0.12 0.08 0.00 0.42 0.00 0.00 57.03 57.63 3fdu h ASP 76 Cb 0.18 0.25 -0.06 0.00 1.72 0.00 0.00 39.33 41.42 3fdu h ASP 76 CO 0.04 -0.13 0.56 0.15 -2.88 0.00 0.00 179.24 176.98 3fdu h PHE 77 N 0.02 0.94 -0.01 0.28 3.57 -0.38 -0.01 116.94 121.34 3fdu h PHE 77 Ca 0.21 0.02 -0.18 0.00 3.53 0.00 0.00 57.97 61.55 3fdu h PHE 77 Cb 0.31 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 3fdu h PHE 77 CO -0.36 0.47 -0.81 0.52 -2.23 0.00 0.00 178.31 175.90 3fdu h MET 78 N 0.90 0.15 -0.58 1.11 2.86 -0.74 -0.84 114.93 117.80 3fdu h MET 78 Ca 0.38 -0.15 -0.09 0.00 -2.06 0.00 0.00 59.70 57.78 3fdu h MET 78 Cb 0.30 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.98 3fdu h MET 78 CO -0.15 0.88 -0.01 0.78 1.06 0.00 0.00 176.91 179.48 3fdu h GLY 79 N 1.91 1.08 0.94 8.32 0.00 -1.02 -3.05 103.07 111.26 3fdu h GLY 79 Ca -0.03 -0.78 -0.02 0.00 0.00 0.00 0.00 47.33 46.50 3fdu h GLY 79 CO 0.12 0.72 0.15 -2.75 0.00 0.00 0.00 176.54 174.78 3fdu h PHE 80 N 0.92 0.58 -0.63 5.60 3.57 -0.71 -2.40 116.94 123.87 3fdu h PHE 80 Ca 0.17 -0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.63 3fdu h PHE 80 Cb 0.54 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.08 3fdu h PHE 80 CO 0.04 0.52 0.42 0.28 -2.23 0.00 0.00 178.31 177.34 3fdu h VAL 81 N 0.46 1.15 0.00 1.41 2.07 -1.12 -0.60 116.25 119.62 3fdu h VAL 81 Ca 0.13 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.36 3fdu h VAL 81 Cb 0.20 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 3fdu h VAL 81 CO -0.01 0.15 0.00 0.00 0.02 0.00 0.00 177.57 177.73 3fdu n GLN 82 N -4.44 0.16 -3.03 1.57 6.02 -1.11 -4.26 117.38 112.29 3fdu n GLN 82 Ca 0.06 0.15 -0.16 0.00 -0.01 0.00 0.00 57.00 57.05 3fdu n GLN 82 Cb 0.05 -1.70 0.00 0.00 1.02 0.00 0.00 30.24 29.62 3fdu n GLN 82 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 3fdu n ASN 83 N -1.98 -0.44 -4.76 1.08 5.15 -0.58 -5.11 115.26 108.62 3fdu n ASN 83 Ca 0.06 -3.19 -0.38 0.00 -0.60 0.00 0.00 54.58 50.48 3fdu n ASN 83 Cb 0.39 0.29 0.01 0.00 -0.53 0.00 0.00 39.78 39.93 3fdu n ASN 83 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3fdu s PRO 84 N -1.27 3.58 0.14 1.20 0.04 -0.34 -4.75 135.00 133.60 3fdu s PRO 84 Ca 0.34 1.94 -0.33 0.00 0.04 0.00 0.00 61.00 62.98 3fdu s PRO 84 Cb 0.30 -2.38 -0.13 0.00 0.04 0.00 0.00 34.50 32.33 3fdu s PRO 84 CO -0.09 -0.75 1.66 -1.71 0.04 0.00 0.00 177.00 176.16 3fdu n ASN 85 N -0.62 3.36 0.00 6.66 2.85 -1.26 -4.89 115.26 121.36 3fdu n ASN 85 Ca 0.08 1.06 0.10 0.00 -0.11 0.00 0.00 54.58 55.71 3fdu n ASN 85 Cb 0.47 -1.45 -0.08 0.00 1.24 0.00 0.00 39.78 39.95 3fdu n ASN 85 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3fdu n ALA 86 N 4.09 4.62 -0.98 5.20 0.00 -1.26 -4.97 120.51 127.21 3fdu n ALA 86 Ca 0.18 -0.57 -0.05 0.00 0.00 0.00 0.00 53.44 52.99 3fdu n ALA 86 Cb 0.31 -0.81 0.07 0.00 0.00 0.00 0.00 19.45 19.02 3fdu n ALA 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fdu n GLY 87 N 1.50 -2.77 3.72 0.00 0.00 -1.26 -4.94 105.19 101.43 3fdu n GLY 87 Ca 0.04 -1.42 -0.42 0.00 0.00 0.00 0.00 46.02 44.21 3fdu n GLY 87 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3fdu n PRO 88 N -2.55 2.70 -0.22 1.61 -0.02 -1.26 -4.83 135.00 130.42 3fdu n PRO 88 Ca 0.04 0.97 0.08 0.00 -2.02 0.00 0.00 63.50 62.57 3fdu n PRO 88 Cb 0.16 -2.80 0.35 0.00 -0.02 0.00 0.00 33.50 31.19 3fdu n PRO 88 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3fdu h ALA 89 N 6.40 1.72 0.00 3.55 0.00 -1.92 -1.57 119.26 127.44 3fdu h ALA 89 Ca -0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3fdu h ALA 89 Cb 1.21 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3fdu h ALA 89 CO 0.93 0.13 0.00 0.41 0.00 0.00 0.00 179.25 180.72 3fdu n GLY 90 N -1.44 -0.73 0.99 0.00 0.00 -1.26 -1.80 105.19 100.95 3fdu n GLY 90 Ca 0.13 -0.04 0.09 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.37 2.47 -2.32 1.61 1.13 -0.59 -4.17 117.38 114.13 3fdu n GLN 91 Ca 0.04 -2.21 -0.41 0.00 -1.94 0.00 0.00 57.00 52.48 3fdu n GLN 91 Cb 0.10 -1.43 -0.03 0.00 0.11 0.00 0.00 30.24 28.99 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 -1.15 3.22 0.26 5.09 1.01 -0.74 -4.78 120.40 123.30 3fdu s VAL 92 Ca 0.34 1.17 -0.02 0.00 0.00 0.00 0.00 61.98 63.48 3fdu s VAL 92 Cb 0.19 -3.75 0.25 0.00 0.00 0.00 0.00 36.38 33.08 3fdu s VAL 92 CO 0.26 0.26 1.70 -0.65 0.00 0.00 0.00 175.10 176.66 3fdu h PRO 93 N 4.05 0.34 -0.69 2.72 0.11 -1.91 -0.93 132.00 135.69 3fdu h PRO 93 Ca -0.47 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 3fdu h PRO 93 Cb 1.22 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.22 3fdu h PRO 93 CO 0.69 0.22 0.36 -1.35 -0.21 0.00 0.00 178.00 177.70 3fdu h PRO 94 N 0.35 0.97 -0.10 1.05 0.11 -1.91 -2.01 132.00 130.46 3fdu h PRO 94 Ca 0.46 -0.12 -0.08 0.00 0.11 0.00 0.00 66.00 66.38 3fdu h PRO 94 Cb 0.81 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.72 3fdu h PRO 94 CO -0.50 0.73 -0.30 0.74 -0.21 0.00 0.00 178.00 178.46 3fdu h PHE 95 N 0.98 0.21 -0.30 0.65 0.04 -1.47 -1.71 116.94 115.33 3fdu h PHE 95 Ca 0.24 -0.04 -0.01 0.00 2.80 0.00 0.00 57.97 60.96 3fdu h PHE 95 Cb 0.06 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.15 3fdu h PHE 95 CO 0.01 0.47 0.15 0.28 -0.60 0.00 0.00 178.31 178.62 3fdu h VAL 96 N 0.16 1.14 0.07 -0.55 2.07 -1.19 -0.24 116.25 117.71 3fdu h VAL 96 Ca 0.02 -0.40 -0.00 0.00 0.82 0.00 0.00 66.70 67.14 3fdu h VAL 96 Cb 0.62 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 3fdu h VAL 96 CO 0.05 0.15 -0.03 0.25 0.02 0.00 0.00 177.57 178.00 3fdu h LEU 97 N 0.35 -0.08 -0.73 2.57 5.85 -1.28 -0.38 115.31 121.61 3fdu h LEU 97 Ca 0.10 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.82 3fdu h LEU 97 Cb 0.10 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 3fdu h LEU 97 CO -0.01 -0.04 0.49 -0.07 -0.34 0.00 0.00 178.44 178.46 3fdu h LEU 98 N -0.11 0.84 -0.58 2.25 3.38 -1.18 -0.37 115.31 119.53 3fdu h LEU 98 Ca -0.01 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 3fdu h LEU 98 Cb 0.09 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 3fdu h LEU 98 CO 0.02 0.61 0.03 0.11 0.09 0.00 0.00 178.44 179.30 3fdu h LYS 99 N 0.99 1.01 -0.73 1.13 1.57 -0.95 -0.80 116.57 118.79 3fdu h LYS 99 Ca 0.27 -0.30 0.07 0.00 -1.87 0.00 0.00 60.65 58.82 3fdu h LYS 99 Cb -0.11 -0.10 -0.06 0.00 0.08 0.00 0.00 32.23 32.04 3fdu h LYS 99 CO -0.06 0.98 0.42 0.77 -0.57 0.00 0.00 179.45 180.99 3fdu h SER 100 N 0.90 0.61 -0.09 0.86 0.02 -0.60 -0.71 113.55 114.54 3fdu h SER 100 Ca 0.17 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.15 3fdu h SER 100 Cb 0.51 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 62.96 3fdu h SER 100 CO 0.02 0.38 0.02 0.00 -1.14 0.00 0.00 176.83 176.12 3fdu h ALA 101 N 1.39 0.12 -0.84 3.77 0.00 -1.00 -2.52 119.26 120.17 3fdu h ALA 101 Ca 0.34 -0.13 0.11 0.00 0.00 0.00 0.00 54.91 55.22 3fdu h ALA 101 Cb 0.24 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.93 3fdu h ALA 101 CO -0.20 -0.25 0.55 0.00 0.00 0.00 0.00 179.25 179.35 3fdu h ALA 102 N 0.81 1.75 0.00 0.00 0.00 -0.78 -2.72 119.26 118.32 3fdu h ALA 102 Ca 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3fdu h ALA 102 Cb 0.25 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3fdu h ALA 102 CO 0.00 0.06 -0.46 0.54 0.00 0.00 0.00 179.25 179.40 3fdu n ARG 103 N -4.52 0.26 -1.68 0.00 1.74 -0.30 -4.90 116.66 107.25 3fdu n ARG 103 Ca 0.15 0.11 -0.56 0.00 -0.77 0.00 0.00 57.85 56.78 3fdu n ARG 103 Cb 0.36 -1.70 -0.07 0.00 -1.02 0.00 0.00 32.46 30.03 3fdu n ARG 103 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 3fdu n LEU 104 N -2.10 2.27 0.12 0.55 7.94 -0.96 -4.82 117.00 120.00 3fdu n LEU 104 Ca 0.04 1.08 0.12 0.00 -1.11 0.00 0.00 56.01 56.14 3fdu n LEU 104 Cb 0.43 -1.16 0.22 0.00 0.53 0.00 0.00 43.42 43.44 3fdu n LEU 104 CO 0.35 -0.55 0.59 0.77 -1.11 0.00 0.00 177.39 177.43 3fdu h SER 105 N 6.70 0.00 -2.47 1.96 4.64 -1.91 -3.46 113.55 119.01 3fdu h SER 105 Ca -0.47 -0.06 -0.46 0.00 -0.47 0.00 0.00 61.79 60.33 3fdu h SER 105 Cb 1.32 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.43 3fdu h SER 105 CO 0.92 0.03 -0.20 -0.54 -0.87 0.00 0.00 176.83 176.17 3fdu s LYS 106 N -3.18 3.18 0.31 4.77 1.02 -1.26 -4.64 119.74 119.94 3fdu s LYS 106 Ca 0.07 -0.62 -0.29 0.00 0.02 0.00 0.00 55.97 55.15 3fdu s LYS 106 Cb 0.11 -2.67 -0.10 0.00 -0.52 0.00 0.00 37.83 34.64 3fdu s LYS 106 CO 0.68 -0.06 1.39 -2.14 -0.92 0.00 0.00 175.35 174.30 3fdu s PRO 107 N -4.37 4.28 -0.22 -1.68 0.02 -1.26 -4.88 135.00 126.88 3fdu s PRO 107 Ca 0.45 2.31 -0.00 0.00 0.02 0.00 0.00 61.00 63.78 3fdu s PRO 107 Cb -0.10 -3.07 0.02 0.00 0.02 0.00 0.00 34.50 31.38 3fdu s PRO 107 CO 0.35 -0.34 -0.11 -1.17 -0.33 0.00 0.00 177.00 175.40 3fdu s LEU 108 N -1.28 2.84 -0.07 -5.54 2.96 -1.26 -1.80 118.68 114.52 3fdu s LEU 108 Ca 0.54 -0.80 0.01 0.00 -0.22 0.00 0.00 54.13 53.66 3fdu s LEU 108 Cb -0.42 -1.60 -0.03 0.00 0.50 0.00 0.00 46.19 44.65 3fdu s LEU 108 CO 0.51 -0.08 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.74 3fdu s ILE 109 N 1.31 3.51 -0.03 6.68 1.01 0.14 -1.17 121.20 132.64 3fdu s ILE 109 Ca 0.01 -0.54 0.07 0.00 0.00 0.00 0.00 60.65 60.19 3fdu s ILE 109 Cb -0.16 -2.43 -0.02 0.00 0.01 0.00 0.00 42.46 39.86 3fdu s ILE 109 CO -0.07 0.58 -0.23 -0.63 0.00 0.00 0.00 174.94 174.60 3fdu s ILE 110 N -0.63 2.33 -0.11 2.92 1.01 -0.62 -1.13 121.20 124.96 3fdu s ILE 110 Ca 0.09 -1.00 0.03 0.00 0.00 0.00 0.00 60.65 59.77 3fdu s ILE 110 Cb -0.11 -1.84 0.01 0.00 0.01 0.00 0.00 42.46 40.52 3fdu s ILE 110 CO 0.02 0.58 -0.20 0.00 0.00 0.00 0.00 174.94 175.34 3fdu s ALA 111 N -0.62 1.99 -0.13 9.38 0.00 -1.00 -1.02 121.76 130.37 3fdu s ALA 111 Ca 0.10 -0.90 0.01 0.00 0.00 0.00 0.00 51.96 51.17 3fdu s ALA 111 Cb -0.10 -0.85 -0.01 0.00 0.00 0.00 0.00 23.12 22.16 3fdu s ALA 111 CO -0.00 0.09 -0.16 0.08 0.00 0.00 0.00 175.76 175.77 3fdu s VAL 112 N 0.66 2.78 0.08 0.00 1.01 0.11 -4.30 120.40 120.74 3fdu s VAL 112 Ca -0.12 -0.76 0.06 0.00 0.00 0.00 0.00 61.98 61.16 3fdu s VAL 112 Cb -0.16 -2.15 -0.03 0.00 0.00 0.00 0.00 36.38 34.04 3fdu s VAL 112 CO 0.03 0.53 -0.17 -0.54 0.00 0.00 0.00 175.10 174.95 3fdu s LYS 113 N 0.39 0.94 5.56 2.72 1.02 -1.26 -2.45 119.74 126.66 3fdu s LYS 113 Ca -0.12 -1.04 0.00 0.00 0.02 0.00 0.00 55.97 54.83 3fdu s LYS 113 Cb -0.16 -1.04 0.00 0.00 -0.52 0.00 0.00 37.83 36.10 3fdu s LYS 113 CO 0.06 0.24 0.00 0.41 -0.92 0.00 0.00 175.35 175.14 3fdu n GLY 114 N 1.20 2.74 3.76 -3.33 0.00 -1.09 -1.10 105.19 107.36 3fdu n GLY 114 Ca -0.20 -0.38 -0.41 0.00 0.00 0.00 0.00 46.02 45.03 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 3.37 -0.31 1.61 -7.23 -1.26 -0.57 120.40 116.01 3fdu s VAL 115 Ca 0.00 1.34 -0.01 0.00 -1.81 0.00 0.00 61.98 61.50 3fdu s VAL 115 Cb 0.00 -3.85 0.13 0.00 0.56 0.00 0.00 36.38 33.22 3fdu s VAL 115 CO 0.00 0.30 0.25 0.00 -0.31 0.00 0.00 175.10 175.34 3fdu s ALA 116 N -0.96 -0.02 -0.06 1.32 0.00 -0.29 -1.31 121.76 120.45 3fdu s ALA 116 Ca 0.47 -0.79 0.05 0.00 0.00 0.00 0.00 51.96 51.68 3fdu s ALA 116 Cb -0.33 -1.71 -0.00 0.00 0.00 0.00 0.00 23.12 21.08 3fdu s ALA 116 CO 0.42 -1.80 -0.20 0.42 0.00 0.00 0.00 175.76 174.60 3fdu s ILE 117 N 2.01 1.68 0.00 0.00 1.01 -0.18 -2.43 121.20 123.29 3fdu s ILE 117 Ca 0.11 -0.84 0.00 0.00 0.00 0.00 0.00 60.65 59.92 3fdu s ILE 117 Cb -0.16 -1.44 0.00 0.00 0.01 0.00 0.00 42.46 40.87 3fdu s ILE 117 CO -0.26 0.48 0.00 0.61 0.00 0.00 0.00 174.94 175.77 3fdu n GLY 118 N 3.20 2.02 0.34 6.18 0.00 0.49 -0.80 105.19 116.62 3fdu n GLY 118 Ca -0.18 -0.08 0.18 0.00 0.00 0.00 0.00 46.02 45.93 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 0.34 0.00 -0.61 2.10 -1.94 -1.04 117.51 116.36 3fdu h ILE 119 Ca 0.00 0.00 -0.02 0.00 1.08 0.00 0.00 64.86 65.92 3fdu h ILE 119 Cb 0.00 0.81 -0.00 0.00 -1.09 0.00 0.00 36.82 36.54 3fdu h ILE 119 CO 0.00 0.00 -0.12 1.23 -1.08 0.00 0.00 178.15 178.18 3fdu h GLY 120 N 0.00 0.00 0.23 8.18 0.00 -1.24 -1.59 103.07 108.65 3fdu h GLY 120 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.10 3fdu h GLY 120 CO -0.00 0.00 -1.66 -0.62 0.00 0.00 0.00 176.54 174.26 3fdu n VAL 121 N -3.97 1.63 0.20 4.60 0.31 -0.51 -4.38 118.33 116.21 3fdu n VAL 121 Ca -0.02 -0.30 0.05 0.00 -0.01 0.00 0.00 64.34 64.05 3fdu n VAL 121 Cb 0.21 -1.90 0.41 0.00 -0.91 0.00 0.00 33.84 31.65 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 1.06 0.00 2.52 1.35 -1.16 -1.96 112.91 114.15 3fdu h THR 122 Ca -0.41 -1.22 -0.04 0.00 -0.55 0.00 0.00 66.41 64.20 3fdu h THR 122 Cb 1.62 1.69 -0.01 0.00 -1.73 0.00 0.00 68.15 69.72 3fdu h THR 122 CO -0.11 0.33 -0.18 -0.29 -0.25 0.00 0.00 175.52 175.02 3fdu h ILE 123 N 0.00 0.80 -0.02 6.82 2.10 -1.53 -2.50 117.51 123.17 3fdu h ILE 123 Ca -0.00 -0.69 -0.02 0.00 1.08 0.00 0.00 64.86 65.23 3fdu h ILE 123 Cb 0.66 1.41 -0.00 0.00 -1.09 0.00 0.00 36.82 37.80 3fdu h ILE 123 CO 0.04 0.17 -0.06 -0.07 -1.08 0.00 0.00 178.15 177.16 3fdu h LEU 124 N 0.00 0.03 -0.13 2.19 3.38 -1.55 -0.51 115.31 118.72 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 0.40 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.14 3fdu h LEU 124 CO 0.02 0.10 0.00 0.18 0.09 0.00 0.00 178.44 178.83 3fdu n LEU 125 N -4.45 0.25 0.01 1.67 4.77 -0.94 -2.12 117.00 116.18 3fdu n LEU 125 Ca -0.02 0.54 0.11 0.00 -0.03 0.00 0.00 56.01 56.61 3fdu n LEU 125 Cb 0.15 -0.49 0.07 0.00 -2.33 0.00 0.00 43.42 40.82 3fdu n LEU 125 CO 0.35 -0.22 0.14 0.00 -1.33 0.00 0.00 177.39 176.33 3fdu n GLN 126 N -1.75 0.13 -2.87 3.23 1.13 -0.21 -4.99 117.38 112.05 3fdu n GLN 126 Ca 0.05 -0.00 -0.31 0.00 -1.94 0.00 0.00 57.00 54.80 3fdu n GLN 126 Cb 0.27 -1.54 -0.04 0.00 0.11 0.00 0.00 30.24 29.04 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 3.32 0.08 -1.58 0.00 -0.90 -4.64 121.76 114.95 3fdu s ALA 127 Ca 0.07 -0.13 -0.11 0.00 0.00 0.00 0.00 51.96 51.79 3fdu s ALA 127 Cb 0.16 -2.75 -0.23 0.00 0.00 0.00 0.00 23.12 20.30 3fdu s ALA 127 CO 0.78 0.04 1.17 -0.44 0.00 0.00 0.00 175.76 177.31 3fdu h ASP 128 N 1.42 0.78 -3.87 0.00 3.32 -1.44 -3.47 116.42 113.15 3fdu h ASP 128 Ca -0.47 -0.68 -0.24 0.00 0.02 0.00 0.00 57.03 55.66 3fdu h ASP 128 Cb 1.18 -0.24 -0.27 0.00 0.22 0.00 0.00 39.33 40.22 3fdu h ASP 128 CO 0.64 1.49 -0.72 -0.76 -1.72 0.00 0.00 179.24 178.17 3fdu s LEU 129 N -7.83 2.03 -0.05 1.55 1.43 -1.18 -5.06 118.68 109.55 3fdu s LEU 129 Ca -0.08 -0.06 0.00 0.00 -1.03 0.00 0.00 54.13 52.96 3fdu s LEU 129 Cb 0.07 -0.03 0.02 0.00 0.03 0.00 0.00 46.19 46.28 3fdu s LEU 129 CO 0.91 -0.02 -0.04 -0.69 0.23 0.00 0.00 176.35 176.74 3fdu s VAL 130 N -0.16 0.54 -0.03 -1.59 1.01 -1.26 -1.59 120.40 117.33 3fdu s VAL 130 Ca -0.01 -0.09 0.05 0.00 0.00 0.00 0.00 61.98 61.93 3fdu s VAL 130 Cb -0.01 -0.59 -0.03 0.00 0.00 0.00 0.00 36.38 35.75 3fdu s VAL 130 CO -0.00 0.24 -0.17 -0.36 0.00 0.00 0.00 175.10 174.81 3fdu s PHE 131 N 1.18 2.60 0.11 5.22 0.08 -0.19 -0.11 117.98 126.87 3fdu s PHE 131 Ca -0.07 -0.23 0.01 0.00 0.12 0.00 0.00 56.93 56.76 3fdu s PHE 131 Cb -0.14 -1.57 -0.04 0.00 -0.57 0.00 0.00 43.02 40.70 3fdu s PHE 131 CO -0.01 0.15 -0.05 0.00 -0.10 0.00 0.00 175.22 175.21 3fdu s ALA 132 N -0.74 0.99 0.53 5.36 0.00 -1.09 0.04 121.76 126.86 3fdu s ALA 132 Ca 0.12 -1.38 0.06 0.00 0.00 0.00 0.00 51.96 50.76 3fdu s ALA 132 Cb -0.10 0.26 0.03 0.00 0.00 0.00 0.00 23.12 23.31 3fdu s ALA 132 CO 0.01 -0.27 0.42 0.16 0.00 0.00 0.00 175.76 176.08 3fdu s ASP 133 N -3.05 4.68 0.00 0.00 1.47 -1.02 -1.03 116.67 117.71 3fdu s ASP 133 Ca 0.14 -1.19 0.19 0.00 1.18 0.00 0.00 52.55 52.87 3fdu s ASP 133 Cb 0.06 0.32 0.91 0.00 -0.34 0.00 0.00 42.92 43.87 3fdu s ASP 133 CO -0.04 -1.07 1.58 -3.20 0.68 0.00 0.00 175.17 173.12 3fdu n ASN 134 N -1.76 0.00 -0.01 2.11 5.15 -1.26 -2.07 115.26 117.41 3fdu n ASN 134 Ca -0.00 0.13 0.14 0.00 -0.60 0.00 0.00 54.58 54.25 3fdu n ASN 134 Cb 0.64 -0.34 0.63 0.00 -0.53 0.00 0.00 39.78 40.18 3fdu n ASN 134 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 3fdu n THR 135 N -1.34 0.00 -2.08 -0.44 -2.24 -1.26 -4.78 114.28 102.15 3fdu n THR 135 Ca 0.08 -0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.44 3fdu n THR 135 Cb 0.16 -0.41 -0.03 0.00 -2.10 0.00 0.00 70.33 67.96 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 -2.85 3.63 -0.15 6.98 0.00 -0.88 -3.18 121.76 125.31 3fdu s ALA 136 Ca 0.19 1.24 -0.01 0.00 0.00 0.00 0.00 51.96 53.37 3fdu s ALA 136 Cb 0.19 -3.55 0.04 0.00 0.00 0.00 0.00 23.12 19.81 3fdu s ALA 136 CO 0.52 -0.67 -0.03 -0.51 0.00 0.00 0.00 175.76 175.07 3fdu s LEU 137 N 0.33 1.36 0.17 0.00 1.43 0.26 -3.63 118.68 118.61 3fdu s LEU 137 Ca 0.62 -0.57 0.06 0.00 -1.03 0.00 0.00 54.13 53.21 3fdu s LEU 137 Cb -0.40 -0.79 -0.04 0.00 0.03 0.00 0.00 46.19 45.00 3fdu s LEU 137 CO 0.37 -0.20 0.10 -0.36 0.23 0.00 0.00 176.35 176.49 3fdu s PHE 138 N 1.72 3.06 -0.21 0.29 0.08 -0.37 -1.13 117.98 121.41 3fdu s PHE 138 Ca 0.01 -0.06 -0.27 0.00 0.12 0.00 0.00 56.93 56.74 3fdu s PHE 138 Cb -0.15 -1.46 0.09 0.00 -0.57 0.00 0.00 43.02 40.92 3fdu s PHE 138 CO -0.07 0.52 0.80 -1.14 -0.10 0.00 0.00 175.22 175.23 3fdu s GLN 139 N -3.12 0.80 -0.61 0.44 0.74 -1.02 -1.11 119.66 115.79 3fdu s GLN 139 Ca 0.30 0.68 -0.02 0.00 0.05 0.00 0.00 55.36 56.37 3fdu s GLN 139 Cb -0.10 0.38 0.16 0.00 1.10 0.00 0.00 33.01 34.55 3fdu s GLN 139 CO 0.22 -0.15 0.41 0.42 -0.55 0.00 0.00 175.29 175.64 3fdu s ILE 140 N -0.12 3.57 -2.15 -2.34 1.01 -1.26 -0.38 121.20 119.52 3fdu s ILE 140 Ca -0.02 -2.97 0.18 0.00 0.00 0.00 0.00 60.65 57.84 3fdu s ILE 140 Cb -0.04 -3.34 0.44 0.00 0.01 0.00 0.00 42.46 39.53 3fdu s ILE 140 CO 0.02 -0.86 1.54 -0.81 0.00 0.00 0.00 174.94 174.82 3fdu n PRO 141 N 3.48 1.49 -0.15 2.79 -0.04 -1.26 -4.32 135.00 136.99 3fdu n PRO 141 Ca 0.07 -0.74 -0.03 0.00 -0.04 0.00 0.00 63.50 62.77 3fdu n PRO 141 Cb 0.37 -1.33 0.05 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 1.44 -0.03 -0.72 0.54 0.04 -1.91 -1.11 116.94 115.20 3fdu h PHE 142 Ca 0.00 0.04 0.04 0.00 2.80 0.00 0.00 57.97 60.84 3fdu h PHE 142 Cb 0.32 0.09 -0.05 0.00 2.20 0.00 0.00 35.95 38.51 3fdu h PHE 142 CO 0.08 -0.10 0.45 0.28 -0.60 0.00 0.00 178.31 178.42 3fdu h VAL 143 N 0.12 1.08 0.00 -0.55 2.07 -1.78 -0.40 116.25 116.79 3fdu h VAL 143 Ca 0.24 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.46 3fdu h VAL 143 Cb 0.35 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 3fdu h VAL 143 CO -0.40 0.16 0.00 0.77 0.02 0.00 0.00 177.57 178.12 3fdu h SER 144 N 0.87 0.00 0.41 0.57 4.64 -1.62 -1.83 113.55 116.59 3fdu h SER 144 Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 3fdu h SER 144 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 3fdu h SER 144 CO -0.12 0.00 -0.03 0.18 -0.87 0.00 0.00 176.83 175.99 3fdu n LEU 145 N -2.76 0.15 0.00 5.97 4.77 -0.52 -4.92 117.00 119.70 3fdu n LEU 145 Ca 0.04 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 3fdu n LEU 145 Cb 0.42 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 3fdu n LEU 145 CO 0.30 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 3fdu n GLY 146 N 1.24 0.51 0.00 -0.72 0.00 -0.69 -5.06 105.19 100.47 3fdu n GLY 146 Ca 0.16 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.84 0.99 4.77 -0.20 -4.72 117.00 114.00 3fdu n LEU 147 Ca 0.00 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.91 3fdu n LEU 147 Cb 0.00 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.11 3fdu n LEU 147 CO 0.00 0.00 0.64 -0.94 -1.33 0.00 0.00 177.39 175.76 3fdu s SER 148 N -0.63 0.01 0.68 -1.43 1.04 -1.26 -4.46 113.70 107.65 3fdu s SER 148 Ca 0.00 -0.98 -0.16 0.00 0.48 0.00 0.00 55.95 55.30 3fdu s SER 148 Cb 0.00 0.72 0.01 0.00 0.10 0.00 0.00 66.02 66.85 3fdu s SER 148 CO 0.00 -1.43 1.16 -2.84 0.98 0.00 0.00 173.24 171.11 3fdu s PRO 149 N -2.21 2.57 0.30 4.02 0.02 -1.26 -4.86 135.00 133.59 3fdu s PRO 149 Ca 0.18 1.61 0.04 0.00 0.02 0.00 0.00 61.00 62.85 3fdu s PRO 149 Cb -0.04 -1.90 -0.03 0.00 0.02 0.00 0.00 34.50 32.54 3fdu s PRO 149 CO 0.09 -1.47 0.20 -1.83 -0.33 0.00 0.00 177.00 173.66 3fdu s GLU 150 N -3.89 1.61 -0.50 5.54 -1.05 -1.26 -4.72 118.70 114.44 3fdu s GLU 150 Ca 0.71 -1.92 0.00 0.00 -0.15 0.00 0.00 54.97 53.61 3fdu s GLU 150 Cb -0.25 0.08 0.00 0.00 -0.44 0.00 0.00 34.13 33.52 3fdu s GLU 150 CO 0.41 -0.52 0.00 0.41 0.95 0.00 0.00 175.26 176.51 3fdu n GLY 151 N -0.57 0.64 1.86 -3.83 0.00 -1.26 -2.62 105.19 99.41 3fdu n GLY 151 Ca 0.03 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.94 0.52 0.21 -0.02 0.00 -1.26 -4.90 105.19 98.79 3fdu n GLY 152 Ca -0.05 -0.16 0.04 0.00 0.00 0.00 0.00 46.02 45.86 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 1.59 -0.23 4.61 0.00 -1.87 0.28 119.26 123.63 3fdu h ALA 153 Ca 0.00 -0.23 0.07 0.00 0.00 0.00 0.00 54.91 54.75 3fdu h ALA 153 Cb 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3fdu h ALA 153 CO 0.00 0.31 0.27 0.66 0.00 0.00 0.00 179.25 180.50 3fdu h SER 154 N 0.01 0.00 0.00 0.00 4.64 -1.91 -1.47 113.55 114.82 3fdu h SER 154 Ca -0.00 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.12 3fdu h SER 154 Cb 0.44 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.50 3fdu h SER 154 CO 0.03 0.00 -1.67 0.00 -0.87 0.00 0.00 176.83 174.32 3fdu n GLN 155 N -3.70 0.27 -0.26 4.77 6.02 -0.35 -4.45 117.38 119.69 3fdu n GLN 155 Ca 0.03 0.10 -0.06 0.00 -0.01 0.00 0.00 57.00 57.06 3fdu n GLN 155 Cb 0.40 -1.03 0.07 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 -0.29 1.06 -0.35 1.08 3.38 -0.55 -1.60 115.31 118.05 3fdu h LEU 156 Ca -0.29 -0.19 -0.19 0.00 0.09 0.00 0.00 57.88 57.30 3fdu h LEU 156 Cb 1.31 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.79 3fdu h LEU 156 CO -0.14 0.98 -0.63 0.25 0.09 0.00 0.00 178.44 178.99 3fdu h LEU 157 N 1.09 0.79 -0.80 1.67 5.85 -1.46 -0.04 115.31 122.41 3fdu h LEU 157 Ca 0.24 -0.46 0.02 0.00 0.84 0.00 0.00 57.88 58.52 3fdu h LEU 157 Cb 0.29 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.05 3fdu h LEU 157 CO -0.01 1.22 0.52 0.58 -0.34 0.00 0.00 178.44 180.42 3fdu h VAL 158 N 0.51 1.17 -0.39 1.05 2.07 -1.60 0.11 116.25 119.16 3fdu h VAL 158 Ca -0.01 -0.36 -0.10 0.00 0.82 0.00 0.00 66.70 67.06 3fdu h VAL 158 Cb 1.22 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 3fdu h VAL 158 CO 0.13 0.19 -0.13 0.11 0.02 0.00 0.00 177.57 177.88 3fdu h LYS 159 N 1.04 0.78 0.00 1.57 1.57 -1.15 -0.15 116.57 120.24 3fdu h LYS 159 Ca 0.31 -0.32 -0.26 0.00 -1.87 0.00 0.00 60.65 58.51 3fdu h LYS 159 Cb -0.06 -0.03 0.02 0.00 0.08 0.00 0.00 32.23 32.23 3fdu h LYS 159 CO -0.09 0.93 -1.03 0.37 -0.57 0.00 0.00 179.45 179.06 3fdu h GLN 160 N 0.59 0.64 0.00 3.15 5.75 -0.79 -3.36 115.11 121.10 3fdu h GLN 160 Ca 0.09 -0.70 0.00 0.00 -0.15 0.00 0.00 58.65 57.90 3fdu h GLN 160 Cb 0.67 0.20 0.00 0.00 1.07 0.00 0.00 27.48 29.42 3fdu h GLN 160 CO 0.05 1.29 -0.96 0.00 -2.65 0.00 0.00 178.83 176.56 3fdu n ALA 161 N -2.63 3.61 0.00 3.38 0.00 0.35 -4.49 120.51 120.73 3fdu n ALA 161 Ca -0.10 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 52.93 3fdu n ALA 161 Cb 0.88 -0.54 0.00 0.00 0.00 0.00 0.00 19.45 19.79 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 1.42 0.67 0.07 0.00 0.00 -0.07 -4.47 105.19 102.82 3fdu n GLY 162 Ca 0.01 -1.59 -0.11 0.00 0.00 0.00 0.00 46.02 44.33 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 -0.07 -0.47 1.61 3.20 -1.88 -2.10 116.97 117.25 3fdu h TYR 163 Ca 0.00 0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.92 3fdu h TYR 163 Cb 0.00 0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.26 3fdu h TYR 163 CO 0.00 -0.05 0.23 0.45 -1.64 0.00 0.00 178.16 177.15 3fdu h HIS 164 N -0.04 0.41 -0.29 -3.82 3.86 -1.94 0.93 115.15 114.26 3fdu h HIS 164 Ca 0.02 0.02 -0.16 0.00 -1.16 0.00 0.00 60.37 59.09 3fdu h HIS 164 Cb 0.07 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.42 3fdu h HIS 164 CO -0.11 0.20 -0.47 -0.22 0.86 0.00 0.00 177.93 178.19 3fdu h LYS 165 N 0.45 0.78 -0.54 2.45 1.63 -1.77 -1.51 116.57 118.06 3fdu h LYS 165 Ca 0.21 -0.45 -0.02 0.00 -0.85 0.00 0.00 60.65 59.55 3fdu h LYS 165 Cb 0.14 0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 31.78 3fdu h LYS 165 CO -0.16 1.07 0.26 0.00 -3.45 0.00 0.00 179.45 177.18 3fdu h ALA 166 N 0.85 0.70 -0.80 5.00 0.00 -0.93 -1.81 119.26 122.26 3fdu h ALA 166 Ca 0.03 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 3fdu h ALA 166 Cb 1.04 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.58 3fdu h ALA 166 CO 0.10 0.25 0.38 0.00 0.00 0.00 0.00 179.25 179.99 3fdu h ALA 167 N 1.10 1.16 -0.59 0.00 0.00 -0.70 -0.48 119.26 119.75 3fdu h ALA 167 Ca 0.19 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.95 3fdu h ALA 167 Cb 0.11 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 3fdu h ALA 167 CO -0.02 0.64 0.38 1.49 0.00 0.00 0.00 179.25 181.73 3fdu h GLU 168 N 1.14 0.75 -0.04 0.00 4.81 -0.85 0.44 114.58 120.83 3fdu h GLU 168 Ca 0.28 -0.04 -0.22 0.00 -0.13 0.00 0.00 59.36 59.25 3fdu h GLU 168 Cb 0.12 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.33 3fdu h GLU 168 CO -0.03 0.49 -0.87 -0.07 -0.73 0.00 0.00 179.01 177.80 3fdu h LEU 169 N 0.77 0.57 0.03 1.64 3.38 -1.16 -2.36 115.31 118.19 3fdu h LEU 169 Ca 0.22 -0.43 -0.09 0.00 0.09 0.00 0.00 57.88 57.68 3fdu h LEU 169 Cb -0.05 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 40.53 3fdu h LEU 169 CO -0.06 1.21 -0.36 -0.07 0.09 0.00 0.00 178.44 179.25 3fdu h LEU 170 N 0.28 0.26 -0.26 1.67 3.38 -0.97 -2.88 115.31 116.79 3fdu h LEU 170 Ca -0.07 -0.87 -0.10 0.00 0.09 0.00 0.00 57.88 56.94 3fdu h LEU 170 Cb 1.49 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 42.15 3fdu h LEU 170 CO 0.15 1.10 -0.22 -0.26 0.09 0.00 0.00 178.44 179.30 3fdu h PHE 171 N -0.55 0.72 0.00 1.13 -1.00 -0.20 -3.22 116.94 113.83 3fdu h PHE 171 Ca -0.05 -0.21 -0.05 0.00 2.81 0.00 0.00 57.97 60.47 3fdu h PHE 171 Cb 1.18 -0.15 -0.01 0.00 3.61 0.00 0.00 35.95 40.58 3fdu h PHE 171 CO 0.20 0.91 -0.30 1.79 -1.61 0.00 0.00 178.31 179.30 3fdu h THR 172 N 0.32 0.36 -2.21 -1.55 1.35 -1.58 -3.47 112.91 106.14 3fdu h THR 172 Ca 0.05 -1.52 -0.40 0.00 -0.55 0.00 0.00 66.41 63.98 3fdu h THR 172 Cb 0.77 2.15 -0.08 0.00 -1.73 0.00 0.00 68.15 69.26 3fdu h THR 172 CO 0.06 0.21 -0.44 0.00 -0.25 0.00 0.00 175.52 175.09 3fdu n ALA 173 N -2.16 -0.49 -1.81 6.62 0.00 -1.09 -4.92 120.51 116.67 3fdu n ALA 173 Ca 0.03 0.23 -0.31 0.00 0.00 0.00 0.00 53.44 53.38 3fdu n ALA 173 Cb 0.62 -2.03 0.01 0.00 0.00 0.00 0.00 19.45 18.05 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 -4.43 3.53 0.53 0.00 -2.85 -1.26 -4.58 119.74 110.68 3fdu s LYS 174 Ca 0.00 0.83 -0.18 0.00 -1.00 0.00 0.00 55.97 55.63 3fdu s LYS 174 Cb 0.00 -2.07 -0.07 0.00 -2.06 0.00 0.00 37.83 33.63 3fdu s LYS 174 CO 0.00 -0.62 1.03 0.15 0.10 0.00 0.00 175.35 176.01 3fdu s LYS 175 N -4.94 3.66 0.04 1.78 1.02 -1.26 -4.34 119.74 115.70 3fdu s LYS 175 Ca 0.56 1.21 -0.16 0.00 0.02 0.00 0.00 55.97 57.60 3fdu s LYS 175 Cb -0.12 -2.08 0.03 0.00 -0.52 0.00 0.00 37.83 35.14 3fdu s LYS 175 CO 0.50 -0.53 0.36 -0.59 -0.92 0.00 0.00 175.35 174.17 3fdu s PHE 176 N -2.30 -0.19 0.31 3.18 -0.12 -0.26 -5.00 117.98 113.60 3fdu s PHE 176 Ca 0.64 0.10 0.05 0.00 -0.05 0.00 0.00 56.93 57.66 3fdu s PHE 176 Cb -0.15 0.16 0.05 0.00 -0.63 0.00 0.00 43.02 42.46 3fdu s PHE 176 CO 0.28 -0.54 0.43 0.27 -0.05 0.00 0.00 175.22 175.61 3fdu n ASN 177 N 0.53 1.11 0.11 1.98 0.23 -1.26 -1.24 115.26 116.72 3fdu n ASN 177 Ca -0.18 -1.81 0.00 0.00 -0.53 0.00 0.00 54.58 52.05 3fdu n ASN 177 Cb 0.60 -0.23 0.29 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 0.28 1.27 -0.39 -2.53 0.00 -1.86 -1.92 119.26 114.12 3fdu h ALA 178 Ca -0.14 -0.34 -0.13 0.00 0.00 0.00 0.00 54.91 54.29 3fdu h ALA 178 Cb 0.66 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3fdu h ALA 178 CO 0.20 0.50 -0.30 1.49 0.00 0.00 0.00 179.25 181.15 3fdu h GLU 179 N 0.18 0.84 -0.47 0.00 4.57 -1.94 0.18 114.58 117.94 3fdu h GLU 179 Ca 0.02 -0.38 -0.01 0.00 -1.18 0.00 0.00 59.36 57.81 3fdu h GLU 179 Cb 0.66 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.21 3fdu h GLU 179 CO 0.05 1.02 0.24 1.15 -1.18 0.00 0.00 179.01 180.28 3fdu h THR 180 N 0.71 1.18 -0.32 0.32 2.02 -1.90 -0.82 112.91 114.09 3fdu h THR 180 Ca 0.08 -0.49 -0.07 0.00 0.77 0.00 0.00 66.41 66.69 3fdu h THR 180 Cb 0.85 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.89 3fdu h THR 180 CO 0.07 0.19 -0.11 0.00 0.37 0.00 0.00 175.52 176.04 3fdu h ALA 181 N 1.08 1.20 -0.18 6.16 0.00 -0.97 -1.65 119.26 124.90 3fdu h ALA 181 Ca 0.16 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 3fdu h ALA 181 Cb 0.10 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 3fdu h ALA 181 CO -0.02 0.51 -0.20 1.25 0.00 0.00 0.00 179.25 180.79 3fdu h LEU 182 N 0.51 0.49 -1.75 0.00 5.85 -0.49 -1.28 115.31 118.64 3fdu h LEU 182 Ca 0.09 -0.49 0.05 0.00 0.84 0.00 0.00 57.88 58.37 3fdu h LEU 182 Cb 0.50 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 3fdu h LEU 182 CO 0.03 0.89 0.25 1.56 -0.34 0.00 0.00 178.44 180.83 3fdu h GLN 183 N 0.11 0.31 -0.01 1.25 4.20 -0.87 -2.09 115.11 118.02 3fdu h GLN 183 Ca 0.03 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.72 3fdu h GLN 183 Cb 0.75 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.47 3fdu h GLN 183 CO 0.05 0.20 -0.08 0.00 -0.67 0.00 0.00 178.83 178.34 3fdu n ALA 184 N -2.52 2.74 -1.01 3.87 0.00 -0.64 -4.94 120.51 118.00 3fdu n ALA 184 Ca 0.04 -0.34 -0.00 0.00 0.00 0.00 0.00 53.44 53.14 3fdu n ALA 184 Cb 0.21 -1.27 -0.00 0.00 0.00 0.00 0.00 19.45 18.39 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 1.20 0.46 0.14 0.00 0.00 -0.78 -3.40 105.19 102.82 3fdu n GLY 185 Ca 0.17 -0.15 -0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -8.57 0.99 3.38 -1.49 -3.44 115.31 106.18 3fdu h LEU 186 Ca -0.01 0.00 -0.69 0.00 0.09 0.00 0.00 57.88 57.27 3fdu h LEU 186 Cb 0.12 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 40.57 3fdu h LEU 186 CO 0.01 0.60 -0.89 -0.69 0.09 0.00 0.00 178.44 177.56 3fdu s VAL 187 N -3.46 2.01 0.05 1.22 1.01 -1.17 -4.72 120.40 115.34 3fdu s VAL 187 Ca -0.00 -1.08 -0.16 0.00 0.00 0.00 0.00 61.98 60.74 3fdu s VAL 187 Cb 0.12 -1.67 -0.24 0.00 0.00 0.00 0.00 36.38 34.59 3fdu s VAL 187 CO 0.75 0.57 1.15 0.78 0.00 0.00 0.00 175.10 178.35 3fdu h ASN 188 N 5.60 0.79 -4.63 3.32 4.21 -0.80 -3.41 115.58 120.64 3fdu h ASN 188 Ca -0.41 -0.75 -0.08 0.00 1.21 0.00 0.00 56.30 56.27 3fdu h ASN 188 Cb 1.13 -0.24 -0.20 0.00 -1.12 0.00 0.00 38.32 37.89 3fdu h ASN 188 CO 0.47 1.44 0.02 -0.70 -1.29 0.00 0.00 177.43 177.38 3fdu s GLU 189 N -3.24 0.85 -0.23 0.81 2.12 -1.23 -5.07 118.70 112.71 3fdu s GLU 189 Ca -0.11 0.37 -0.16 0.00 0.36 0.00 0.00 54.97 55.43 3fdu s GLU 189 Cb 0.06 0.40 -0.04 0.00 0.26 0.00 0.00 34.13 34.81 3fdu s GLU 189 CO 0.89 -0.21 0.40 0.42 -0.54 0.00 0.00 175.26 176.22 3fdu s ILE 190 N -0.69 5.18 0.24 -3.70 1.01 -1.26 -2.66 121.20 119.32 3fdu s ILE 190 Ca -0.08 0.68 0.05 0.00 0.00 0.00 0.00 60.65 61.31 3fdu s ILE 190 Cb -0.03 -3.73 -0.05 0.00 0.01 0.00 0.00 42.46 38.66 3fdu s ILE 190 CO 0.06 0.21 -0.06 0.68 0.00 0.00 0.00 174.94 175.83 3fdu s VAL 191 N 1.63 1.39 0.15 2.92 -7.23 -0.20 -4.99 120.40 114.07 3fdu s VAL 191 Ca 0.18 -2.10 -0.13 0.00 -1.81 0.00 0.00 61.98 58.13 3fdu s VAL 191 Cb -0.15 -2.29 0.02 0.00 0.56 0.00 0.00 36.38 34.52 3fdu s VAL 191 CO 0.09 -0.40 1.62 1.05 -0.31 0.00 0.00 175.10 177.15 3fdu h GLU 192 N 2.44 0.85 -3.37 4.82 9.09 -1.98 -3.38 114.58 123.04 3fdu h GLU 192 Ca -0.39 -0.25 -0.61 0.00 0.05 0.00 0.00 59.36 58.17 3fdu h GLU 192 Cb 1.22 -0.09 -0.40 0.00 -1.65 0.00 0.00 28.75 27.83 3fdu h GLU 192 CO 0.65 0.86 -0.74 0.34 0.05 0.00 0.00 179.01 180.17 3fdu s ASP 193 N -6.28 3.92 0.24 3.06 -1.08 -1.26 -4.98 116.67 110.28 3fdu s ASP 193 Ca -0.13 -2.25 -0.06 0.00 -0.52 0.00 0.00 52.55 49.59 3fdu s ASP 193 Cb 0.12 -1.06 0.28 0.00 -1.46 0.00 0.00 42.92 40.80 3fdu s ASP 193 CO 0.81 -0.33 1.88 0.00 0.52 0.00 0.00 175.17 178.06 3fdu h ALA 194 N 7.28 1.18 -0.11 3.66 0.00 -1.87 -0.44 119.26 128.96 3fdu h ALA 194 Ca -0.06 -0.04 -0.21 0.00 0.00 0.00 0.00 54.91 54.61 3fdu h ALA 194 Cb 0.97 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 18.46 3fdu h ALA 194 CO 0.49 0.42 -0.74 1.88 0.00 0.00 0.00 179.25 181.30 3fdu h TYR 195 N 1.11 0.96 -0.69 0.00 0.05 -1.94 -1.31 116.97 115.15 3fdu h TYR 195 Ca 0.36 -0.44 -0.04 0.00 0.05 0.00 0.00 58.73 58.66 3fdu h TYR 195 Cb 0.02 -0.14 -0.03 0.00 1.01 0.00 0.00 36.73 37.59 3fdu h TYR 195 CO -0.02 1.27 0.28 0.00 -1.05 0.00 0.00 178.16 178.64 3fdu h ALA 196 N 0.50 0.90 -0.60 3.88 0.00 -1.94 -2.16 119.26 119.84 3fdu h ALA 196 Ca -0.06 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 3fdu h ALA 196 Cb 1.38 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 3fdu h ALA 196 CO 0.15 0.52 0.25 1.15 0.00 0.00 0.00 179.25 181.32 3fdu h THR 197 N 0.99 1.23 -0.81 0.00 2.02 -1.02 -0.13 112.91 115.19 3fdu h THR 197 Ca 0.23 -0.69 -0.04 0.00 0.77 0.00 0.00 66.41 66.68 3fdu h THR 197 Cb 0.20 0.56 -0.04 0.00 -1.74 0.00 0.00 68.15 67.14 3fdu h THR 197 CO -0.02 0.27 0.37 0.00 0.37 0.00 0.00 175.52 176.51 3fdu h ALA 198 N 1.09 1.12 -0.36 6.16 0.00 -1.11 -1.00 119.26 125.16 3fdu h ALA 198 Ca 0.20 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 3fdu h ALA 198 Cb 0.19 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3fdu h ALA 198 CO -0.02 0.65 -0.23 0.37 0.00 0.00 0.00 179.25 180.02 3fdu h GLN 199 N 1.16 0.79 -0.45 0.00 5.75 -1.02 -0.93 115.11 120.41 3fdu h GLN 199 Ca 0.28 -0.37 -0.09 0.00 -0.15 0.00 0.00 58.65 58.31 3fdu h GLN 199 Cb 0.15 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.67 3fdu h GLN 199 CO -0.03 1.00 -0.10 0.00 -2.65 0.00 0.00 178.83 177.05 3fdu h ALA 200 N 0.78 0.97 -0.23 3.38 0.00 -0.73 -1.53 119.26 121.89 3fdu h ALA 200 Ca 0.07 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 3fdu h ALA 200 Cb 0.79 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3fdu h ALA 200 CO 0.06 0.61 0.05 1.15 0.00 0.00 0.00 179.25 181.12 3fdu h THR 201 N 0.74 1.21 -0.94 0.00 2.02 -1.18 -1.27 112.91 113.49 3fdu h THR 201 Ca 0.13 -0.70 0.05 0.00 0.77 0.00 0.00 66.41 66.66 3fdu h THR 201 Cb 0.59 1.24 -0.06 0.00 -1.74 0.00 0.00 68.15 68.18 3fdu h THR 201 CO 0.04 0.22 0.60 0.00 0.37 0.00 0.00 175.52 176.76 3fdu h ALA 202 N 0.87 1.29 -0.43 6.16 0.00 -0.88 -0.99 119.26 125.28 3fdu h ALA 202 Ca 0.07 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 3fdu h ALA 202 Cb 0.29 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3fdu h ALA 202 CO 0.00 0.41 -0.03 1.96 0.00 0.00 0.00 179.25 181.59 3fdu h GLN 203 N 1.12 0.78 -0.46 0.00 4.20 -1.19 -0.93 115.11 118.63 3fdu h GLN 203 Ca 0.40 -0.26 0.04 0.00 0.06 0.00 0.00 58.65 58.89 3fdu h GLN 203 Cb 0.12 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 27.79 3fdu h GLN 203 CO -0.16 0.86 0.22 1.25 -0.67 0.00 0.00 178.83 180.34 3fdu h HIS 204 N 0.61 0.40 -0.59 2.96 2.76 -0.84 -2.26 115.15 118.19 3fdu h HIS 204 Ca 0.12 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.26 3fdu h HIS 204 Cb 0.54 -0.11 -0.03 0.00 1.55 0.00 0.00 27.41 29.35 3fdu h HIS 204 CO 0.04 0.20 0.19 -0.07 -1.30 0.00 0.00 177.93 176.98 3fdu h LEU 205 N 0.44 0.82 -1.56 0.26 3.38 -0.95 -2.36 115.31 115.33 3fdu h LEU 205 Ca 0.20 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3fdu h LEU 205 Cb 0.12 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 3fdu h LEU 205 CO -0.15 0.77 -0.04 0.71 0.09 0.00 0.00 178.44 179.82 3fdu h THR 206 N 0.86 0.12 0.00 0.22 1.35 -0.73 -1.85 112.91 112.88 3fdu h THR 206 Ca 0.20 -0.56 0.00 0.00 -0.55 0.00 0.00 66.41 65.49 3fdu h THR 206 Cb 0.25 1.50 0.00 0.00 -1.73 0.00 0.00 68.15 68.17 3fdu h THR 206 CO -0.01 0.04 0.00 0.00 -0.25 0.00 0.00 175.52 175.30 3fdu n ALA 207 N -2.12 2.49 -2.60 6.62 0.00 -0.89 -4.85 120.51 119.16 3fdu n ALA 207 Ca 0.00 -0.15 -0.20 0.00 0.00 0.00 0.00 53.44 53.09 3fdu n ALA 207 Cb 0.30 -1.49 -0.01 0.00 0.00 0.00 0.00 19.45 18.26 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 -2.47 4.04 0.12 0.00 1.43 -0.70 -5.04 118.68 116.06 3fdu s LEU 208 Ca 0.31 -0.05 -0.31 0.00 -1.03 0.00 0.00 54.13 53.05 3fdu s LEU 208 Cb 0.20 -2.84 -0.08 0.00 0.03 0.00 0.00 46.19 43.50 3fdu s LEU 208 CO 0.44 -0.35 1.45 -2.84 0.23 0.00 0.00 176.35 175.28 3fdu s PRO 209 N -4.16 4.28 0.26 1.29 0.02 -1.26 -4.91 135.00 130.52 3fdu s PRO 209 Ca 0.42 2.16 -0.04 0.00 0.02 0.00 0.00 61.00 63.56 3fdu s PRO 209 Cb -0.09 -3.26 0.36 0.00 0.02 0.00 0.00 34.50 31.52 3fdu s PRO 209 CO 0.31 -0.51 1.89 1.25 -0.33 0.00 0.00 177.00 179.61 3fdu h LEU 210 N 7.00 1.03 -0.49 -5.54 6.46 -1.92 -2.43 115.31 119.42 3fdu h LEU 210 Ca -0.42 0.00 -0.11 0.00 -0.12 0.00 0.00 57.88 57.23 3fdu h LEU 210 Cb 1.21 -0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 40.90 3fdu h LEU 210 CO 0.88 0.68 -0.12 0.00 -0.62 0.00 0.00 178.44 179.26 3fdu h ALA 211 N 1.42 0.67 -0.34 1.25 0.00 -1.99 0.10 119.26 120.37 3fdu h ALA 211 Ca 0.41 -0.34 0.02 0.00 0.00 0.00 0.00 54.91 54.99 3fdu h ALA 211 Cb 0.09 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3fdu h ALA 211 CO -0.15 0.58 0.19 0.77 0.00 0.00 0.00 179.25 180.64 3fdu h SER 212 N 0.79 0.31 -0.23 0.00 0.02 -1.93 -0.56 113.55 111.94 3fdu h SER 212 Ca 0.12 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 3fdu h SER 212 Cb 0.67 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.14 3fdu h SER 212 CO 0.05 0.22 0.11 -0.07 -1.14 0.00 0.00 176.83 176.00 3fdu h LEU 213 N 0.39 0.31 -0.40 5.07 3.38 -1.28 -0.62 115.31 122.16 3fdu h LEU 213 Ca 0.14 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3fdu h LEU 213 Cb 0.01 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3fdu h LEU 213 CO -0.07 0.36 0.23 0.50 0.09 0.00 0.00 178.44 179.55 3fdu h LYS 214 N 0.24 0.56 -0.25 1.13 3.64 -0.92 -1.84 116.57 119.12 3fdu h LYS 214 Ca 0.08 -0.06 -0.14 0.00 -1.27 0.00 0.00 60.65 59.26 3fdu h LYS 214 Cb 0.14 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 3fdu h LYS 214 CO -0.01 0.44 -0.41 0.37 -2.27 0.00 0.00 179.45 177.57 3fdu h GLN 215 N 0.52 0.58 -0.17 1.90 5.75 -1.05 -1.62 115.11 121.03 3fdu h GLN 215 Ca 0.14 -0.30 -0.04 0.00 -0.15 0.00 0.00 58.65 58.30 3fdu h GLN 215 Cb 0.03 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.59 3fdu h GLN 215 CO -0.02 0.89 -0.04 1.15 -2.65 0.00 0.00 178.83 178.15 3fdu h THR 216 N 0.48 1.29 -0.98 2.39 2.02 -1.00 -2.01 112.91 115.09 3fdu h THR 216 Ca 0.04 -1.01 0.01 0.00 0.77 0.00 0.00 66.41 66.22 3fdu h THR 216 Cb 0.92 1.61 -0.05 0.00 -1.74 0.00 0.00 68.15 68.89 3fdu h THR 216 CO 0.08 0.30 0.65 0.50 0.37 0.00 0.00 175.52 177.42 3fdu h LYS 217 N 0.04 1.29 -0.67 6.66 3.64 -1.32 -1.53 116.57 124.68 3fdu h LYS 217 Ca 0.04 -0.08 -0.03 0.00 -1.27 0.00 0.00 60.65 59.31 3fdu h LYS 217 Cb 0.48 -0.29 -0.03 0.00 -0.41 0.00 0.00 32.23 31.98 3fdu h LYS 217 CO 0.02 0.85 0.28 0.00 -2.27 0.00 0.00 179.45 178.33 3fdu h ALA 218 N 1.39 0.87 -0.46 5.00 0.00 -1.14 -0.03 119.26 124.88 3fdu h ALA 218 Ca 0.36 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 3fdu h ALA 218 Cb -0.15 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.36 3fdu h ALA 218 CO -0.08 0.47 0.10 -0.07 0.00 0.00 0.00 179.25 179.67 3fdu h LEU 219 N 0.94 0.71 -1.51 0.00 3.38 -1.15 -2.53 115.31 115.15 3fdu h LEU 219 Ca 0.22 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 3fdu h LEU 219 Cb 0.18 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3fdu h LEU 219 CO -0.02 0.77 0.02 0.24 0.09 0.00 0.00 178.44 179.53 3fdu h MET 220 N 0.62 0.33 -1.08 1.13 2.86 -0.95 -2.82 114.93 115.02 3fdu h MET 220 Ca 0.14 -0.05 -0.66 0.00 -2.06 0.00 0.00 59.70 57.07 3fdu h MET 220 Cb 0.34 -0.06 -0.32 0.00 0.06 0.00 0.00 31.60 31.62 3fdu h MET 220 CO 0.00 0.35 0.46 1.63 1.06 0.00 0.00 176.91 180.42 3fdu n LYS 221 N -4.37 2.93 0.27 1.72 5.02 -0.05 -4.66 118.16 119.02 3fdu n LYS 221 Ca 0.00 -3.56 0.12 0.00 -2.02 0.00 0.00 58.31 52.85 3fdu n LYS 221 Cb 0.18 -2.28 0.74 0.00 -0.02 0.00 0.00 35.03 33.65 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 2.18 0.00 -0.59 2.13 2.07 -1.19 -2.10 115.15 117.65 3fdu h HIS 222 Ca 0.54 0.00 -0.14 0.00 -2.85 0.00 0.00 60.37 57.92 3fdu h HIS 222 Cb 0.88 0.00 -0.08 0.00 2.57 0.00 0.00 27.41 30.78 3fdu h HIS 222 CO 1.26 0.07 0.17 -0.40 -3.07 0.00 0.00 177.93 175.96 3fdu n ASP 223 N -3.96 4.53 -0.31 3.10 5.75 -1.26 -4.66 116.55 119.74 3fdu n ASP 223 Ca -0.03 -2.95 0.15 0.00 -0.01 0.00 0.00 54.79 51.95 3fdu n ASP 223 Cb 0.16 -0.70 0.33 0.00 -1.03 0.00 0.00 41.12 39.89 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 2.59 0.30 -0.71 -2.12 5.85 -1.76 -0.21 115.31 119.24 3fdu h LEU 224 Ca 0.17 0.17 0.00 0.00 0.84 0.00 0.00 57.88 59.06 3fdu h LEU 224 Cb 2.00 0.16 -0.04 0.00 0.37 0.00 0.00 40.66 43.15 3fdu h LEU 224 CO 0.57 -0.05 0.46 0.44 -0.34 0.00 0.00 178.44 179.52 3fdu h ASP 225 N 0.35 0.83 -0.17 1.25 3.32 -1.87 0.65 116.42 120.79 3fdu h ASP 225 Ca 0.58 -0.04 -0.08 0.00 0.02 0.00 0.00 57.03 57.52 3fdu h ASP 225 Cb 1.16 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.49 3fdu h ASP 225 CO -0.56 0.62 -0.14 1.56 -1.72 0.00 0.00 179.24 179.00 3fdu h GLN 226 N 0.97 0.55 -0.29 3.56 7.50 -1.44 -1.12 115.11 124.84 3fdu h GLN 226 Ca 0.26 -0.17 -0.02 0.00 0.50 0.00 0.00 58.65 59.22 3fdu h GLN 226 Cb -0.08 -0.05 -0.01 0.00 0.05 0.00 0.00 27.48 27.38 3fdu h GLN 226 CO -0.05 0.68 0.11 0.82 -1.50 0.00 0.00 178.83 178.88 3fdu h ILE 227 N 0.50 1.19 -0.32 2.54 2.04 -0.57 -0.78 117.51 122.11 3fdu h ILE 227 Ca 0.09 -0.58 0.02 0.00 1.00 0.00 0.00 64.86 65.39 3fdu h ILE 227 Cb 0.53 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.62 3fdu h ILE 227 CO 0.03 0.20 0.17 0.40 0.00 0.00 0.00 178.15 178.94 3fdu h ILE 228 N 0.31 1.00 -0.97 -0.67 1.08 -0.73 -0.62 117.51 116.90 3fdu h ILE 228 Ca 0.09 -0.12 0.10 0.00 -0.39 0.00 0.00 64.86 64.55 3fdu h ILE 228 Cb 0.20 0.63 -0.08 0.00 -3.07 0.00 0.00 36.82 34.50 3fdu h ILE 228 CO -0.01 0.06 0.61 -0.33 -0.69 0.00 0.00 178.15 177.80 3fdu h GLU 229 N 0.34 0.98 -0.13 2.37 5.08 -1.09 -1.74 114.58 120.39 3fdu h GLU 229 Ca 0.13 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 3fdu h GLU 229 Cb 0.03 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.06 3fdu h GLU 229 CO -0.08 0.65 0.00 0.00 -1.00 0.00 0.00 179.01 178.58 3fdu h ILE 231 N -0.03 0.66 -0.32 0.00 2.04 -0.79 -0.39 117.51 118.68 3fdu h ILE 231 Ca 0.04 -0.15 -0.16 0.00 1.00 0.00 0.00 64.86 65.58 3fdu h ILE 231 Cb 0.36 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 3fdu h ILE 231 CO 0.01 0.08 -0.44 0.44 0.00 0.00 0.00 178.15 178.24 3fdu h ASP 232 N 0.45 0.89 0.36 1.72 3.32 -1.18 -0.76 116.42 121.22 3fdu h ASP 232 Ca 0.42 -0.42 -0.25 0.00 0.02 0.00 0.00 57.03 56.79 3fdu h ASP 232 Cb 0.63 -0.25 0.01 0.00 0.22 0.00 0.00 39.33 39.93 3fdu h ASP 232 CO -0.40 1.19 -1.05 -0.74 -1.72 0.00 0.00 179.24 176.52 3fdu h HIS 233 N 0.66 0.65 -0.66 4.55 2.76 -0.95 -2.33 115.15 119.83 3fdu h HIS 233 Ca 0.04 -0.39 0.05 0.00 -2.20 0.00 0.00 60.37 57.88 3fdu h HIS 233 Cb 1.01 -0.06 -0.05 0.00 1.55 0.00 0.00 27.41 29.86 3fdu h HIS 233 CO 0.06 1.23 0.38 0.93 -1.30 0.00 0.00 177.93 179.23 3fdu h GLU 234 N 0.21 0.69 -0.69 5.26 5.08 -1.00 -2.66 114.58 121.47 3fdu h GLU 234 Ca -0.11 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.23 3fdu h GLU 234 Cb 1.71 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 30.77 3fdu h GLU 234 CO 0.18 0.46 0.45 0.00 -1.00 0.00 0.00 179.01 179.10 3fdu h ALA 235 N 1.33 1.54 -0.16 3.43 0.00 -0.75 0.16 119.26 124.82 3fdu h ALA 235 Ca 0.29 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 3fdu h ALA 235 Cb 0.15 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3fdu h ALA 235 CO -0.16 0.42 0.04 1.49 0.00 0.00 0.00 179.25 181.04 3fdu h GLU 236 N 0.90 0.25 -0.81 0.00 4.81 -1.09 -1.62 114.58 117.02 3fdu h GLU 236 Ca 0.26 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.41 3fdu h GLU 236 Cb -0.06 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.25 3fdu h GLU 236 CO -0.06 0.39 0.43 0.82 -0.73 0.00 0.00 179.01 179.85 3fdu h ILE 237 N 0.07 1.25 -0.52 2.32 2.04 -1.18 -2.51 117.51 118.97 3fdu h ILE 237 Ca 0.05 -0.63 0.02 0.00 1.00 0.00 0.00 64.86 65.30 3fdu h ILE 237 Cb 0.24 0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 36.46 3fdu h ILE 237 CO -0.00 0.28 0.31 0.15 0.00 0.00 0.00 178.15 178.88 3fdu h PHE 238 N 1.14 0.57 -0.18 1.37 3.57 -0.49 -2.29 116.94 120.63 3fdu h PHE 238 Ca 0.28 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.72 3fdu h PHE 238 Cb 0.06 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.60 3fdu h PHE 238 CO 0.01 0.32 -0.26 0.52 -2.23 0.00 0.00 178.31 176.67 3fdu h MET 239 N 0.61 0.33 -0.61 1.11 2.86 -1.09 0.11 114.93 118.25 3fdu h MET 239 Ca 0.21 -0.12 0.08 0.00 -2.06 0.00 0.00 59.70 57.81 3fdu h MET 239 Cb 0.03 -0.02 -0.06 0.00 0.06 0.00 0.00 31.60 31.60 3fdu h MET 239 CO -0.10 0.57 0.27 1.96 1.06 0.00 0.00 176.91 180.68 3fdu h GLN 240 N 0.29 0.48 -0.19 1.72 4.20 -1.10 0.79 115.11 121.29 3fdu h GLN 240 Ca 0.04 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.67 3fdu h GLN 240 Cb 0.62 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.29 3fdu h GLN 240 CO 0.04 0.32 -0.08 0.00 -0.67 0.00 0.00 178.83 178.45 3fdu h ARG 241 N 0.50 0.40 -1.00 1.46 2.47 -0.94 -2.13 114.38 115.13 3fdu h ARG 241 Ca 0.29 -0.17 0.11 0.00 -1.26 0.00 0.00 59.98 58.96 3fdu h ARG 241 Cb 0.29 -0.02 -0.08 0.00 -1.65 0.00 0.00 29.97 28.52 3fdu h ARG 241 CO -0.25 0.68 0.63 0.28 0.56 0.00 0.00 179.97 181.87 3fdu h VAL 242 N 0.10 0.94 -0.04 2.04 2.07 -0.57 -2.43 116.25 118.37 3fdu h VAL 242 Ca 0.05 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.22 3fdu h VAL 242 Cb 0.55 -0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.16 3fdu h VAL 242 CO 0.03 0.18 0.00 0.00 0.02 0.00 0.00 177.57 177.80 3fdu n GLN 243 N -4.60 1.45 -1.96 1.57 6.02 0.25 -4.66 117.38 115.46 3fdu n GLN 243 Ca 0.18 -0.66 -0.37 0.00 -0.01 0.00 0.00 57.00 56.14 3fdu n GLN 243 Cb 0.33 -1.45 0.03 0.00 1.02 0.00 0.00 30.24 30.18 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 -1.87 5.29 0.33 1.08 1.04 -0.81 -4.88 113.70 113.89 3fdu s SER 244 Ca 0.38 2.50 0.02 0.00 0.48 0.00 0.00 55.95 59.33 3fdu s SER 244 Cb 0.20 -2.61 0.58 0.00 0.10 0.00 0.00 66.02 64.28 3fdu s SER 244 CO 0.32 -1.53 1.93 -0.65 0.98 0.00 0.00 173.24 174.29 3fdu h PRO 245 N 1.17 0.74 0.00 4.02 0.11 -1.90 -1.83 132.00 134.32 3fdu h PRO 245 Ca -0.50 -0.10 -0.07 0.00 0.11 0.00 0.00 66.00 65.44 3fdu h PRO 245 Cb 1.30 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 3fdu h PRO 245 CO 0.56 0.59 -0.33 1.05 -0.21 0.00 0.00 178.00 179.66 3fdu h GLU 246 N 0.74 0.00 -0.05 1.05 9.09 -1.95 -2.48 114.58 120.99 3fdu h GLU 246 Ca 0.18 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.57 3fdu h GLU 246 Cb 0.11 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.21 3fdu h GLU 246 CO -0.02 0.33 -0.06 1.98 0.05 0.00 0.00 179.01 181.29 3fdu h MET 247 N 0.00 0.12 -0.67 1.06 4.05 -1.64 -2.35 114.93 115.50 3fdu h MET 247 Ca -0.00 -0.07 0.09 0.00 -0.28 0.00 0.00 59.70 59.43 3fdu h MET 247 Cb 0.66 0.01 -0.07 0.00 -0.80 0.00 0.00 31.60 31.40 3fdu h MET 247 CO 0.04 0.61 0.32 1.25 0.23 0.00 0.00 176.91 179.37 3fdu h LEU 248 N -0.35 0.42 -0.34 3.39 5.85 -1.34 -0.57 115.31 122.36 3fdu h LEU 248 Ca 0.01 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 3fdu h LEU 248 Cb 0.59 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.60 3fdu h LEU 248 CO 0.01 0.25 0.20 -0.33 -0.34 0.00 0.00 178.44 178.23 3fdu h GLU 249 N 0.56 0.47 -0.70 1.25 4.39 -1.43 0.71 114.58 119.83 3fdu h GLU 249 Ca 0.33 -0.05 -0.05 0.00 0.34 0.00 0.00 59.36 59.93 3fdu h GLU 249 Cb 0.34 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.86 3fdu h GLU 249 CO -0.26 0.37 0.23 0.00 -1.16 0.00 0.00 179.01 178.19 3fdu h ALA 250 N 1.07 1.07 -0.33 3.43 0.00 -1.13 -0.79 119.26 122.59 3fdu h ALA 250 Ca 0.12 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 54.67 3fdu h ALA 250 Cb 0.03 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 3fdu h ALA 250 CO -0.02 0.63 -0.37 0.28 0.00 0.00 0.00 179.25 179.78 3fdu h VAL 251 N 1.04 1.29 -0.26 0.00 2.07 -0.81 -1.45 116.25 118.13 3fdu h VAL 251 Ca 0.23 -1.54 0.03 0.00 0.82 0.00 0.00 66.70 66.24 3fdu h VAL 251 Cb 0.28 1.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.53 3fdu h VAL 251 CO -0.01 0.51 0.07 1.56 0.02 0.00 0.00 177.57 179.72 3fdu h GLN 252 N 0.61 0.18 0.29 1.57 4.20 -0.55 0.20 115.11 121.61 3fdu h GLN 252 Ca 0.05 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.75 3fdu h GLN 252 Cb 0.96 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.67 3fdu h GLN 252 CO 0.09 0.12 -0.36 0.00 -0.67 0.00 0.00 178.83 178.01 3fdu h ALA 253 N 1.17 -0.73 -0.87 3.87 0.00 -1.08 -2.56 119.26 119.06 3fdu h ALA 253 Ca 0.12 -0.10 0.15 0.00 0.00 0.00 0.00 54.91 55.08 3fdu h ALA 253 Cb 0.10 0.53 -0.10 0.00 0.00 0.00 0.00 17.79 18.32 3fdu h ALA 253 CO -0.13 -0.95 0.45 0.35 0.00 0.00 0.00 179.25 178.97 3fdu h PHE 254 N -0.70 0.79 0.00 0.00 3.57 -0.81 -3.52 116.94 116.28 3fdu h PHE 254 Ca -0.01 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.52 3fdu h PHE 254 Cb 0.65 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.17 3fdu h PHE 254 CO -0.23 0.18 0.00 -1.33 -2.23 0.00 0.00 178.31 174.69