#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3adn s TRP 7 N 0.00 3.12 -0.20 1.08 -0.00 -0.66 -4.95 118.94 117.32 3adn s TRP 7 Ca 0.00 -0.29 -0.06 0.00 -0.00 0.00 0.00 56.10 55.74 3adn s TRP 7 Cb 0.00 -2.27 -0.03 0.00 -0.00 0.00 0.00 33.47 31.17 3adn s TRP 7 CO 0.00 -0.31 0.03 -1.01 -0.00 0.00 0.00 176.95 175.67 3adn s HIS 8 N 1.62 3.11 0.14 5.86 3.76 -1.26 -0.87 115.29 127.65 3adn s HIS 8 Ca 0.06 -0.27 -0.30 0.00 -0.15 0.00 0.00 55.06 54.40 3adn s HIS 8 Cb -0.15 -2.11 -0.08 0.00 1.11 0.00 0.00 32.58 31.35 3adn s HIS 8 CO 0.05 -0.13 1.29 -2.00 -0.85 0.00 0.00 174.74 173.10 3adn s GLU 9 N 0.91 4.40 0.00 1.40 2.12 -0.48 -4.93 118.70 122.11 3adn s GLU 9 Ca 0.02 1.97 0.00 0.00 0.36 0.00 0.00 54.97 57.33 3adn s GLU 9 Cb -0.14 -3.25 0.00 0.00 0.26 0.00 0.00 34.13 31.00 3adn s GLU 9 CO 0.02 -0.28 0.00 2.41 -0.54 0.00 0.00 175.26 176.87 3adn n THR 10 N 3.25 0.00 0.00 -1.70 -1.04 -0.69 -4.51 114.28 109.60 3adn n THR 10 Ca 0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.09 3adn n THR 10 Cb 0.44 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.95 3adn n THR 10 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 3adn n LEU 11 N 0.00 0.00 -4.79 -4.42 7.94 -1.26 -4.62 117.00 109.84 3adn n LEU 11 Ca 0.00 0.00 -0.39 0.00 -1.11 0.00 0.00 56.01 54.51 3adn n LEU 11 Cb 0.00 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 43.89 3adn n LEU 11 CO 0.00 0.00 0.31 -1.00 -1.11 0.00 0.00 177.39 175.59 3adn s HIS 12 N 0.00 3.78 0.11 1.96 3.76 -1.26 -5.07 115.29 118.57 3adn s HIS 12 Ca 0.00 1.30 0.02 0.00 -0.15 0.00 0.00 55.06 56.23 3adn s HIS 12 Cb 0.00 -2.57 -0.04 0.00 1.11 0.00 0.00 32.58 31.08 3adn s HIS 12 CO 0.00 0.51 0.20 -0.51 -0.85 0.00 0.00 174.74 174.09 3adn s ASP 13 N -0.82 6.06 0.00 1.40 1.01 -1.26 -4.36 116.67 118.69 3adn s ASP 13 Ca 0.31 0.11 0.00 0.00 0.71 0.00 0.00 52.55 53.68 3adn s ASP 13 Cb -0.20 -1.77 0.00 0.00 1.01 0.00 0.00 42.92 41.97 3adn s ASP 13 CO 0.19 0.11 0.00 0.00 0.21 0.00 0.00 175.17 175.68 3adn n GLN 14 N -0.09 0.00 -3.70 8.23 1.13 -1.26 -4.93 117.38 116.75 3adn n GLN 14 Ca -0.07 0.00 -0.04 0.00 -1.94 0.00 0.00 57.00 54.95 3adn n GLN 14 Cb 0.53 -0.41 -0.01 0.00 0.11 0.00 0.00 30.24 30.46 3adn n GLN 14 CO 0.00 0.00 0.00 -0.59 -1.44 0.00 0.00 177.06 175.03 3adn s PHE 15 N -1.86 -0.15 -2.23 1.08 -0.71 -1.26 -5.19 117.98 107.66 3adn s PHE 15 Ca 0.00 -0.11 0.00 0.00 -1.04 0.00 0.00 56.93 55.78 3adn s PHE 15 Cb 0.00 0.61 0.00 0.00 -1.21 0.00 0.00 43.02 42.42 3adn s PHE 15 CO 0.00 -0.73 0.00 0.41 -1.34 0.00 0.00 175.22 173.56 3adn n GLY 16 N -0.44 -1.75 3.68 1.99 0.00 -1.26 -4.50 105.19 102.91 3adn n GLY 16 Ca -0.07 -1.11 -0.31 0.00 0.00 0.00 0.00 46.02 44.53 3adn n GLY 16 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3adn s GLN 17 N -1.70 2.66 0.21 1.61 -2.07 -1.26 -4.98 119.66 114.13 3adn s GLN 17 Ca 0.00 -0.73 0.07 0.00 -1.82 0.00 0.00 55.36 52.88 3adn s GLN 17 Cb 0.00 -2.60 -0.05 0.00 -1.09 0.00 0.00 33.01 29.28 3adn s GLN 17 CO 0.00 0.58 -0.12 1.52 -1.32 0.00 0.00 175.29 175.95 3adn s TYR 18 N -1.20 1.69 -0.03 9.60 1.13 -1.26 -1.38 117.35 125.89 3adn s TYR 18 Ca 0.23 -0.63 0.01 0.00 -1.41 0.00 0.00 57.07 55.26 3adn s TYR 18 Cb -0.12 -0.83 0.02 0.00 -1.10 0.00 0.00 41.96 39.93 3adn s TYR 18 CO 0.15 0.29 -0.02 -0.06 -2.51 0.00 0.00 175.55 173.40 3adn s PHE 19 N -3.05 0.44 -0.36 -3.49 0.08 -0.05 -4.97 117.98 106.58 3adn s PHE 19 Ca 0.23 -0.07 -0.29 0.00 0.12 0.00 0.00 56.93 56.93 3adn s PHE 19 Cb 0.01 -0.45 0.00 0.00 -0.57 0.00 0.00 43.02 42.02 3adn s PHE 19 CO 0.07 -0.12 1.38 0.00 -0.10 0.00 0.00 175.22 176.44 3adn s ALA 20 N 0.80 3.18 -0.32 5.36 0.00 -1.26 -1.65 121.76 127.86 3adn s ALA 20 Ca -0.09 -0.03 -0.29 0.00 0.00 0.00 0.00 51.96 51.55 3adn s ALA 20 Cb -0.12 -3.87 0.01 0.00 0.00 0.00 0.00 23.12 19.14 3adn s ALA 20 CO -0.01 -2.13 1.19 0.08 0.00 0.00 0.00 175.76 174.88 3adn s VAL 21 N 5.01 4.31 -0.26 0.00 1.01 -1.26 -4.37 120.40 124.83 3adn s VAL 21 Ca 0.60 1.49 0.23 0.00 0.00 0.00 0.00 61.98 64.29 3adn s VAL 21 Cb -0.15 -4.31 0.02 0.00 0.00 0.00 0.00 36.38 31.94 3adn s VAL 21 CO 0.29 -0.52 1.09 0.44 0.00 0.00 0.00 175.10 176.40 3adn h ASP 22 N 8.74 0.00 -3.71 3.32 3.32 -1.67 -3.48 116.42 122.94 3adn h ASP 22 Ca -0.23 -0.01 0.21 0.00 0.02 0.00 0.00 57.03 57.02 3adn h ASP 22 Cb 1.08 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 40.39 3adn h ASP 22 CO 1.04 0.00 0.81 0.21 -1.72 0.00 0.00 179.24 179.59 3adn s ASN 23 N -5.38 -0.15 -0.25 6.45 3.84 -1.23 -5.00 114.94 113.23 3adn s ASN 23 Ca 0.00 0.11 0.02 0.00 0.21 0.00 0.00 52.86 53.20 3adn s ASN 23 Cb 0.09 0.13 0.05 0.00 -0.55 0.00 0.00 41.25 40.97 3adn s ASN 23 CO 0.78 -0.17 -0.11 -0.69 -2.79 0.00 0.00 177.10 174.12 3adn s VAL 24 N -1.48 2.32 0.05 -5.21 1.01 -1.26 -0.80 120.40 115.03 3adn s VAL 24 Ca 0.07 -1.39 -0.15 0.00 0.00 0.00 0.00 61.98 60.50 3adn s VAL 24 Cb -0.01 -2.26 -0.28 0.00 0.00 0.00 0.00 36.38 33.83 3adn s VAL 24 CO -0.05 0.11 1.11 -0.07 0.00 0.00 0.00 175.10 176.20 3adn h LEU 25 N 7.86 0.85 -7.21 3.92 -0.00 -1.38 -3.47 115.31 115.88 3adn h LEU 25 Ca -0.26 -0.81 -0.09 0.00 -0.00 0.00 0.00 57.88 56.72 3adn h LEU 25 Cb 1.07 -0.27 -0.21 0.00 -0.00 0.00 0.00 40.66 41.25 3adn h LEU 25 CO 0.52 1.56 -0.06 -0.47 -0.00 0.00 0.00 178.44 179.99 3adn s TYR 26 N -3.04 -0.52 -0.26 1.13 5.04 -0.81 -5.00 117.35 113.90 3adn s TYR 26 Ca -0.10 1.12 -0.15 0.00 -2.44 0.00 0.00 57.07 55.49 3adn s TYR 26 Cb 0.05 0.23 0.07 0.00 0.35 0.00 0.00 41.96 42.67 3adn s TYR 26 CO 0.92 -0.38 0.63 -1.58 -1.34 0.00 0.00 175.55 173.80 3adn s HIS 27 N -0.41 -0.96 -0.04 4.97 5.65 -1.26 0.32 115.29 123.57 3adn s HIS 27 Ca -0.06 1.95 -0.01 0.00 0.25 0.00 0.00 55.06 57.20 3adn s HIS 27 Cb -0.03 0.54 0.03 0.00 -1.18 0.00 0.00 32.58 31.94 3adn s HIS 27 CO 0.04 -0.48 0.02 -2.00 -0.65 0.00 0.00 174.74 171.66 3adn s GLU 28 N 1.51 0.23 -0.28 2.88 2.12 0.26 -4.98 118.70 120.45 3adn s GLU 28 Ca -0.09 0.17 -0.06 0.00 0.36 0.00 0.00 54.97 55.35 3adn s GLU 28 Cb -0.06 -0.57 0.00 0.00 0.26 0.00 0.00 34.13 33.77 3adn s GLU 28 CO -0.17 -0.22 0.06 0.21 -0.54 0.00 0.00 175.26 174.59 3adn s LYS 29 N 1.52 3.19 -0.19 4.30 2.20 -1.26 -0.99 119.74 128.50 3adn s LYS 29 Ca -0.03 -0.78 0.16 0.00 -0.36 0.00 0.00 55.97 54.96 3adn s LYS 29 Cb -0.13 -3.30 0.52 0.00 -1.51 0.00 0.00 37.83 33.41 3adn s LYS 29 CO -0.03 -0.38 1.42 2.41 -0.36 0.00 0.00 175.35 178.42 3adn n THR 30 N 4.86 2.31 0.00 3.43 -1.04 -0.47 -4.95 114.28 118.42 3adn n THR 30 Ca -0.15 -1.98 0.00 0.00 -2.04 0.00 0.00 64.05 59.87 3adn n THR 30 Cb 0.49 -0.27 0.00 0.00 -1.82 0.00 0.00 70.33 68.73 3adn n THR 30 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 3adn n ASP 31 N -0.62 0.00 -0.01 8.00 -0.08 -1.26 -4.02 116.55 118.57 3adn n ASP 31 Ca 0.23 0.00 0.09 0.00 -1.51 0.00 0.00 54.79 53.60 3adn n ASP 31 Cb 0.91 0.00 -0.14 0.00 2.34 0.00 0.00 41.12 44.23 3adn n ASP 31 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 3adn n HIS 32 N 0.00 0.00 -4.15 -0.67 8.25 -1.26 -4.99 115.22 112.39 3adn n HIS 32 Ca 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.35 3adn n HIS 32 Cb 0.00 -0.31 -0.10 0.00 1.12 0.00 0.00 29.99 30.70 3adn n HIS 32 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 3adn s GLN 33 N -3.17 1.05 -0.40 -0.41 -0.21 -1.26 -5.01 119.66 110.25 3adn s GLN 33 Ca -0.03 -1.49 0.05 0.00 0.02 0.00 0.00 55.36 53.91 3adn s GLN 33 Cb 0.13 0.27 0.17 0.00 1.00 0.00 0.00 33.01 34.57 3adn s GLN 33 CO 0.79 -0.33 0.50 0.34 -2.12 0.00 0.00 175.29 174.47 3adn s ASP 34 N -3.08 -0.02 -0.14 5.90 3.68 -1.25 -1.36 116.67 120.40 3adn s ASP 34 Ca 0.29 -1.44 -0.10 0.00 2.13 0.00 0.00 52.55 53.43 3adn s ASP 34 Cb 0.07 1.12 -0.05 0.00 -1.45 0.00 0.00 42.92 42.61 3adn s ASP 34 CO 0.06 -0.20 0.20 -0.22 0.13 0.00 0.00 175.17 175.13 3adn s LEU 35 N 1.41 4.32 -0.01 -1.34 0.20 -0.16 -1.51 118.68 121.58 3adn s LEU 35 Ca 0.19 0.46 -0.10 0.00 0.69 0.00 0.00 54.13 55.37 3adn s LEU 35 Cb -0.09 -2.19 0.01 0.00 -0.43 0.00 0.00 46.19 43.49 3adn s LEU 35 CO -0.05 0.27 0.20 -0.51 -0.29 0.00 0.00 176.35 175.97 3adn s ILE 36 N -0.32 0.07 -0.29 6.68 2.07 -0.38 0.92 121.20 129.95 3adn s ILE 36 Ca 0.14 -0.59 -0.03 0.00 -1.41 0.00 0.00 60.65 58.77 3adn s ILE 36 Cb -0.12 -0.49 0.11 0.00 0.13 0.00 0.00 42.46 42.09 3adn s ILE 36 CO 0.03 -0.32 0.19 -0.63 -1.91 0.00 0.00 174.94 172.30 3adn s ILE 37 N -1.31 -0.18 0.46 2.00 1.09 0.15 0.20 121.20 123.61 3adn s ILE 37 Ca -0.14 -0.71 0.06 0.00 -1.10 0.00 0.00 60.65 58.76 3adn s ILE 37 Cb -0.07 -0.98 -0.03 0.00 -1.06 0.00 0.00 42.46 40.33 3adn s ILE 37 CO 0.02 -0.65 0.18 0.72 -0.10 0.00 0.00 174.94 175.12 3adn s PHE 38 N 2.14 2.25 -0.06 3.97 -0.71 -1.11 -0.94 117.98 123.52 3adn s PHE 38 Ca 0.10 -0.72 0.04 0.00 -1.04 0.00 0.00 56.93 55.31 3adn s PHE 38 Cb -0.16 -1.87 -0.02 0.00 -1.21 0.00 0.00 43.02 39.76 3adn s PHE 38 CO -0.34 0.07 -0.17 -1.21 -1.34 0.00 0.00 175.22 172.23 3adn s GLU 39 N -3.97 2.56 -0.07 1.99 2.02 0.02 0.10 118.70 121.35 3adn s GLU 39 Ca 0.32 -0.75 0.02 0.00 0.02 0.00 0.00 54.97 54.58 3adn s GLU 39 Cb 0.03 -2.34 0.02 0.00 0.10 0.00 0.00 34.13 31.94 3adn s GLU 39 CO 0.18 0.54 -0.10 1.21 0.02 0.00 0.00 175.26 177.10 3adn s ASN 40 N -0.51 1.77 0.58 -0.19 3.04 -1.26 -1.59 114.94 116.78 3adn s ASN 40 Ca 0.07 -0.28 0.34 0.00 0.04 0.00 0.00 52.86 53.02 3adn s ASN 40 Cb -0.12 -0.79 1.32 0.00 -1.54 0.00 0.00 41.25 40.13 3adn s ASN 40 CO 0.01 -0.01 1.57 0.00 -3.04 0.00 0.00 177.10 175.64 3adn h ALA 41 N 7.24 3.02 -1.49 1.71 0.00 -1.97 1.24 119.26 129.01 3adn h ALA 41 Ca -0.31 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3adn h ALA 41 Cb 1.17 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3adn h ALA 41 CO 0.46 -1.63 0.00 0.00 0.00 0.00 0.00 179.25 178.08 3adn n ALA 42 N -2.50 0.00 0.73 0.00 0.00 -1.26 -4.62 120.51 112.87 3adn n ALA 42 Ca 0.25 -0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.79 3adn n ALA 42 Cb 1.40 0.00 0.20 0.00 0.00 0.00 0.00 19.45 21.05 3adn n ALA 42 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3adn n PHE 43 N -1.38 0.31 -1.29 0.00 3.72 -1.15 -5.07 117.46 112.60 3adn n PHE 43 Ca 0.00 0.09 0.00 0.00 -0.05 0.00 0.00 57.45 57.49 3adn n PHE 43 Cb 0.00 -0.49 0.00 0.00 -0.94 0.00 0.00 39.48 38.05 3adn n PHE 43 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3adn n GLY 44 N 1.40 -1.91 2.93 1.37 0.00 0.43 -3.97 105.19 105.44 3adn n GLY 44 Ca 0.04 -0.36 -0.00 0.00 0.00 0.00 0.00 46.02 45.69 3adn n GLY 44 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3adn n ARG 45 N -2.06 -1.40 -3.82 1.61 3.00 -1.22 -3.20 116.66 109.57 3adn n ARG 45 Ca 0.00 1.27 -0.30 0.00 -0.00 0.00 0.00 57.85 58.82 3adn n ARG 45 Cb 0.19 -1.09 -0.16 0.00 0.00 0.00 0.00 32.46 31.41 3adn n ARG 45 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 3adn s VAL 46 N -0.05 1.11 -0.20 5.15 1.01 0.28 -1.70 120.40 126.00 3adn s VAL 46 Ca -0.02 -1.22 -0.26 0.00 0.00 0.00 0.00 61.98 60.48 3adn s VAL 46 Cb 0.00 -1.64 -0.01 0.00 0.00 0.00 0.00 36.38 34.73 3adn s VAL 46 CO 0.05 -0.38 0.89 -0.32 0.00 0.00 0.00 175.10 175.34 3adn s MET 47 N 1.55 4.27 -0.07 2.72 1.75 -1.10 -2.75 119.30 125.66 3adn s MET 47 Ca 0.02 1.10 0.02 0.00 -1.25 0.00 0.00 55.69 55.58 3adn s MET 47 Cb -0.18 -3.61 0.02 0.00 2.84 0.00 0.00 34.83 33.90 3adn s MET 47 CO -0.14 -0.45 -0.11 0.00 -0.65 0.00 0.00 175.02 173.67 3adn s ALA 48 N 2.57 1.26 -0.19 4.11 0.00 0.13 -1.02 121.76 128.62 3adn s ALA 48 Ca 0.39 -0.43 -0.03 0.00 0.00 0.00 0.00 51.96 51.89 3adn s ALA 48 Cb -0.16 -0.63 -0.01 0.00 0.00 0.00 0.00 23.12 22.32 3adn s ALA 48 CO 0.10 0.02 -0.07 -1.17 0.00 0.00 0.00 175.76 174.63 3adn s LEU 49 N 0.85 2.84 -1.44 0.00 2.96 -0.90 -1.24 118.68 121.75 3adn s LEU 49 Ca -0.11 -0.37 -0.05 0.00 -0.22 0.00 0.00 54.13 53.38 3adn s LEU 49 Cb -0.15 -1.70 0.04 0.00 0.50 0.00 0.00 46.19 44.88 3adn s LEU 49 CO 0.01 0.04 0.66 0.47 -1.32 0.00 0.00 176.35 176.22 3adn n ASP 50 N 4.36 -1.82 0.00 3.68 8.00 -0.57 -1.67 116.55 128.52 3adn n ASP 50 Ca -0.18 -0.91 0.00 0.00 0.71 0.00 0.00 54.79 54.41 3adn n ASP 50 Cb 0.51 -3.48 0.00 0.00 -0.02 0.00 0.00 41.12 38.13 3adn n ASP 50 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3adn n GLY 51 N -1.73 2.77 3.57 0.44 0.00 -1.26 -4.74 105.19 104.24 3adn n GLY 51 Ca -0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.40 3adn n GLY 51 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3adn s VAL 52 N -1.04 4.65 -0.02 1.61 1.01 -0.67 -1.70 120.40 124.24 3adn s VAL 52 Ca 0.00 0.75 -0.32 0.00 0.00 0.00 0.00 61.98 62.41 3adn s VAL 52 Cb 0.00 -4.29 -0.10 0.00 0.00 0.00 0.00 36.38 31.99 3adn s VAL 52 CO 0.00 -0.59 1.93 0.52 0.00 0.00 0.00 175.10 176.96 3adn n VAL 53 N 6.01 0.67 -0.07 2.92 0.31 -1.26 -2.13 118.33 124.78 3adn n VAL 53 Ca 0.04 -0.12 -0.09 0.00 -0.01 0.00 0.00 64.34 64.15 3adn n VAL 53 Cb 0.48 -2.10 -0.07 0.00 -0.91 0.00 0.00 33.84 31.24 3adn n VAL 53 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 3adn h GLN 54 N 9.87 0.00 -3.10 5.55 1.08 -1.43 -3.48 115.11 123.61 3adn h GLN 54 Ca -0.49 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 56.69 3adn h GLN 54 Cb 1.26 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.67 3adn h GLN 54 CO 0.94 0.53 0.22 0.95 -0.95 0.00 0.00 178.83 180.52 3adn s THR 55 N -2.02 0.00 -0.13 -0.54 -4.23 -1.18 -5.04 115.64 102.49 3adn s THR 55 Ca -0.14 -1.06 -0.09 0.00 -1.18 0.00 0.00 61.69 59.23 3adn s THR 55 Cb 0.00 -2.66 0.05 0.00 1.34 0.00 0.00 72.50 71.22 3adn s THR 55 CO 0.38 0.00 0.33 -0.89 -0.54 0.00 0.00 174.62 173.90 3adn s THR 56 N -2.74 -0.02 0.97 3.99 2.01 -1.26 -2.69 115.64 115.89 3adn s THR 56 Ca 0.16 0.08 -0.12 0.00 0.31 0.00 0.00 61.69 62.12 3adn s THR 56 Cb -0.05 -0.49 0.17 0.00 0.01 0.00 0.00 72.50 72.14 3adn s THR 56 CO 0.11 0.03 1.09 -1.83 -0.69 0.00 0.00 174.62 173.33 3adn s GLU 57 N 0.96 0.68 -1.31 4.92 -1.05 -0.69 -2.22 118.70 119.99 3adn s GLU 57 Ca -0.06 0.84 -0.00 0.00 -0.15 0.00 0.00 54.97 55.59 3adn s GLU 57 Cb -0.07 -1.74 0.00 0.00 -0.44 0.00 0.00 34.13 31.88 3adn s GLU 57 CO -0.07 -2.64 0.73 -2.13 0.95 0.00 0.00 175.26 172.09 3adn n ARG 58 N -4.16 -5.05 0.00 -4.83 0.63 -1.26 -4.56 116.66 97.43 3adn n ARG 58 Ca 0.06 0.63 0.00 0.00 -0.92 0.00 0.00 57.85 57.63 3adn n ARG 58 Cb 0.55 -5.23 0.00 0.00 0.45 0.00 0.00 32.46 28.23 3adn n ARG 58 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 3adn n ASP 59 N -3.05 0.00 0.17 6.15 2.03 -1.22 -4.88 116.55 115.74 3adn n ASP 59 Ca -0.29 0.00 0.02 0.00 0.52 0.00 0.00 54.79 55.04 3adn n ASP 59 Cb 0.67 0.00 0.29 0.00 -0.72 0.00 0.00 41.12 41.36 3adn n ASP 59 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 3adn h GLU 60 N 0.00 0.00 -0.75 -0.67 9.09 -1.69 -3.24 114.58 117.33 3adn h GLU 60 Ca 0.00 0.00 0.16 0.00 0.05 0.00 0.00 59.36 59.57 3adn h GLU 60 Cb 0.00 0.00 -0.11 0.00 -1.65 0.00 0.00 28.75 26.99 3adn h GLU 60 CO 0.00 0.47 0.18 0.27 0.05 0.00 0.00 179.01 179.98 3adn h PHE 61 N 0.00 0.28 0.12 2.06 -0.00 -1.94 0.76 116.94 118.22 3adn h PHE 61 Ca -0.00 0.04 0.02 0.00 -0.00 0.00 0.00 57.97 58.03 3adn h PHE 61 Cb 0.87 -0.01 -0.03 0.00 -0.00 0.00 0.00 35.95 36.78 3adn h PHE 61 CO 0.00 -0.10 -0.26 0.82 -0.00 0.00 0.00 178.31 178.78 3adn h ILE 62 N 0.26 0.44 -1.01 0.88 2.04 -1.95 1.61 117.51 119.78 3adn h ILE 62 Ca 0.42 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.35 3adn h ILE 62 Cb 0.73 0.44 -0.07 0.00 -0.74 0.00 0.00 36.82 37.18 3adn h ILE 62 CO -0.52 0.00 0.65 0.22 0.00 0.00 0.00 178.15 178.50 3adn h TYR 63 N -0.47 1.20 0.12 1.37 3.20 -0.76 -2.83 116.97 118.80 3adn h TYR 63 Ca 0.03 0.03 -0.35 0.00 3.14 0.00 0.00 58.73 61.58 3adn h TYR 63 Cb 0.49 -0.39 -0.02 0.00 1.54 0.00 0.00 36.73 38.35 3adn h TYR 63 CO -0.23 0.61 -1.91 0.45 -1.64 0.00 0.00 178.16 175.44 3adn h HIS 64 N 1.17 0.45 -0.40 -3.82 3.86 0.14 -2.79 115.15 113.76 3adn h HIS 64 Ca 0.44 -0.33 -0.01 0.00 -1.16 0.00 0.00 60.37 59.31 3adn h HIS 64 Cb 0.19 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 28.62 3adn h HIS 64 CO -0.00 1.65 0.21 0.93 0.86 0.00 0.00 177.93 181.58 3adn h GLU 65 N 0.07 0.56 -0.35 2.45 5.08 0.23 -2.46 114.58 120.16 3adn h GLU 65 Ca -0.39 -0.07 -0.11 0.00 -1.00 0.00 0.00 59.36 57.79 3adn h GLU 65 Cb 2.04 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 31.17 3adn h GLU 65 CO 0.10 0.46 -0.23 0.52 -1.00 0.00 0.00 179.01 178.86 3adn h MET 66 N 0.51 0.69 0.00 2.33 2.86 -1.65 0.35 114.93 120.02 3adn h MET 66 Ca 0.14 -0.27 0.00 0.00 -2.06 0.00 0.00 59.70 57.51 3adn h MET 66 Cb 0.07 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.70 3adn h MET 66 CO -0.02 0.86 0.00 -1.33 1.06 0.00 0.00 176.91 177.48 3adn n MET 67 N -4.11 0.07 0.00 1.72 2.81 -1.05 -3.95 117.12 112.60 3adn n MET 67 Ca -0.00 0.28 0.00 0.00 -1.81 0.00 0.00 57.70 56.17 3adn n MET 67 Cb 0.43 -1.63 0.00 0.00 -0.71 0.00 0.00 33.22 31.31 3adn n MET 67 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 3adn n THR 68 N -1.76 0.00 0.15 2.03 5.66 -0.93 -4.76 114.28 114.68 3adn n THR 68 Ca 0.03 0.00 0.04 0.00 -3.05 0.00 0.00 64.05 61.07 3adn n THR 68 Cb 0.22 -0.47 0.09 0.00 -1.55 0.00 0.00 70.33 68.61 3adn n THR 68 CO 0.00 0.00 0.00 0.45 -3.05 0.00 0.00 175.07 172.47 3adn h HIS 69 N 0.00 0.00 0.43 1.09 -0.00 -0.50 -2.38 115.15 113.79 3adn h HIS 69 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.35 3adn h HIS 69 Cb 0.78 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.20 3adn h HIS 69 CO 0.00 0.45 -0.20 0.28 -0.00 0.00 0.00 177.93 178.45 3adn h VAL 70 N 0.00 0.58 -0.07 2.45 2.07 -1.70 -1.91 116.25 117.67 3adn h VAL 70 Ca -0.00 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 3adn h VAL 70 Cb 1.28 0.66 -0.00 0.00 -1.52 0.00 0.00 31.29 31.71 3adn h VAL 70 CO 0.06 0.03 0.04 -0.65 0.02 0.00 0.00 177.57 177.07 3adn h PRO 71 N -0.67 0.09 0.84 1.57 0.11 -1.84 0.43 132.00 132.54 3adn h PRO 71 Ca -0.06 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 66.00 3adn h PRO 71 Cb 0.49 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.58 3adn h PRO 71 CO 0.10 0.13 -0.47 -0.07 -0.21 0.00 0.00 178.00 177.47 3adn h LEU 72 N 0.04 -1.16 -0.54 2.35 4.07 -1.43 1.16 115.31 119.79 3adn h LEU 72 Ca 0.02 0.06 0.01 0.00 0.08 0.00 0.00 57.88 58.05 3adn h LEU 72 Cb 0.06 0.33 -0.03 0.00 1.08 0.00 0.00 40.66 42.09 3adn h LEU 72 CO -0.00 -0.75 0.34 -0.07 -1.08 0.00 0.00 178.44 176.88 3adn h LEU 73 N -1.22 0.58 -0.52 1.67 4.07 -1.43 -2.65 115.31 115.82 3adn h LEU 73 Ca -0.11 -0.01 0.10 0.00 0.08 0.00 0.00 57.88 57.94 3adn h LEU 73 Cb 0.96 -0.14 -0.08 0.00 1.08 0.00 0.00 40.66 42.48 3adn h LEU 73 CO 0.15 0.42 0.03 0.00 -1.08 0.00 0.00 178.44 177.95 3adn h ALA 74 N 1.21 0.53 -2.29 1.53 0.00 -0.48 -3.35 119.26 116.41 3adn h ALA 74 Ca 0.21 0.14 -0.60 0.00 0.00 0.00 0.00 54.91 54.66 3adn h ALA 74 Cb -0.04 0.24 -0.10 0.00 0.00 0.00 0.00 17.79 17.89 3adn h ALA 74 CO -0.06 -0.37 0.41 -1.58 0.00 0.00 0.00 179.25 177.65 3adn s HIS 75 N -6.15 3.27 0.12 0.00 5.65 0.40 -4.93 115.29 113.64 3adn s HIS 75 Ca -0.13 0.98 -0.26 0.00 0.25 0.00 0.00 55.06 55.89 3adn s HIS 75 Cb 0.17 -3.09 -0.07 0.00 -1.18 0.00 0.00 32.58 28.40 3adn s HIS 75 CO 0.73 -0.45 1.64 0.78 -0.65 0.00 0.00 174.74 176.78 3adn h GLY 76 N 9.26 -0.45 -6.84 1.59 0.00 -1.74 -3.39 103.07 101.50 3adn h GLY 76 Ca -0.24 0.31 -0.60 0.00 0.00 0.00 0.00 47.33 46.80 3adn h GLY 76 CO 0.87 -0.22 -0.78 0.30 0.00 0.00 0.00 176.54 176.71 3adn s HIS 77 N -6.06 1.55 -0.17 5.60 0.09 -1.26 -4.91 115.29 110.12 3adn s HIS 77 Ca -0.15 -2.16 -0.07 0.00 -0.00 0.00 0.00 55.06 52.68 3adn s HIS 77 Cb 0.08 -1.55 -0.04 0.00 -0.00 0.00 0.00 32.58 31.08 3adn s HIS 77 CO 0.65 -0.80 0.05 0.00 -0.00 0.00 0.00 174.74 174.65 3adn s ALA 78 N 0.58 3.37 -0.12 -1.40 0.00 -1.26 -4.98 121.76 117.96 3adn s ALA 78 Ca 0.18 -0.75 0.07 0.00 0.00 0.00 0.00 51.96 51.46 3adn s ALA 78 Cb -0.23 -1.86 -0.12 0.00 0.00 0.00 0.00 23.12 20.91 3adn s ALA 78 CO 0.00 0.22 -0.01 1.63 0.00 0.00 0.00 175.76 177.61 3adn n LYS 79 N 3.40 1.73 -4.08 0.00 5.02 -1.26 -3.99 118.16 118.97 3adn n LYS 79 Ca -0.17 0.02 -0.33 0.00 -2.02 0.00 0.00 58.31 55.81 3adn n LYS 79 Cb 0.52 -1.28 -0.15 0.00 -0.02 0.00 0.00 35.03 34.10 3adn n LYS 79 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3adn s HIS 80 N -2.27 2.99 0.20 2.13 3.76 -1.26 -1.15 115.29 119.70 3adn s HIS 80 Ca -0.09 -1.89 0.07 0.00 -0.15 0.00 0.00 55.06 53.00 3adn s HIS 80 Cb 0.04 -1.94 -0.04 0.00 1.11 0.00 0.00 32.58 31.75 3adn s HIS 80 CO 0.41 -0.83 0.11 0.08 -0.85 0.00 0.00 174.74 173.66 3adn s VAL 81 N 1.22 4.21 -0.09 -0.90 1.01 -0.14 0.61 120.40 126.32 3adn s VAL 81 Ca -0.01 -1.33 -0.00 0.00 0.00 0.00 0.00 61.98 60.64 3adn s VAL 81 Cb -0.16 -3.19 0.02 0.00 0.00 0.00 0.00 36.38 33.06 3adn s VAL 81 CO -0.09 -0.20 -0.05 -0.22 0.00 0.00 0.00 175.10 174.53 3adn s LEU 82 N -3.33 1.03 0.02 3.92 1.98 0.17 -2.43 118.68 120.03 3adn s LEU 82 Ca 0.31 -0.22 -0.01 0.00 -2.89 0.00 0.00 54.13 51.32 3adn s LEU 82 Cb -0.09 -0.68 -0.04 0.00 0.66 0.00 0.00 46.19 46.04 3adn s LEU 82 CO 0.22 -0.13 0.15 -0.63 -1.89 0.00 0.00 176.35 174.08 3adn s ILE 83 N 1.65 5.12 -0.40 6.68 -1.09 0.35 0.14 121.20 133.65 3adn s ILE 83 Ca 0.02 -0.36 0.01 0.00 -2.23 0.00 0.00 60.65 58.09 3adn s ILE 83 Cb -0.13 -3.41 0.14 0.00 -1.58 0.00 0.00 42.46 37.48 3adn s ILE 83 CO -0.06 0.26 0.23 -0.63 -1.23 0.00 0.00 174.94 173.52 3adn s ILE 84 N -1.34 0.84 0.00 2.92 1.01 0.11 -2.63 121.20 122.11 3adn s ILE 84 Ca 0.28 -2.22 0.00 0.00 0.00 0.00 0.00 60.65 58.71 3adn s ILE 84 Cb -0.12 -1.60 0.00 0.00 0.01 0.00 0.00 42.46 40.75 3adn s ILE 84 CO 0.20 -0.95 0.00 0.61 0.00 0.00 0.00 174.94 174.80 3adn n GLY 85 N 3.71 0.20 3.32 6.18 0.00 -0.98 -1.13 105.19 116.49 3adn n GLY 85 Ca 0.11 -1.91 -0.25 0.00 0.00 0.00 0.00 46.02 43.97 3adn n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3adn n GLY 86 N 0.00 -0.58 0.27 -0.02 0.00 -1.26 -4.73 105.19 98.86 3adn n GLY 86 Ca 0.00 1.06 0.12 0.00 0.00 0.00 0.00 46.02 47.20 3adn n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3adn n GLY 87 N -0.55 -0.53 0.29 -0.02 0.00 -1.26 -3.90 105.19 99.23 3adn n GLY 87 Ca -0.05 -0.49 0.16 0.00 0.00 0.00 0.00 46.02 45.65 3adn n GLY 87 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3adn h ASP 88 N 1.33 0.00 0.00 1.61 -0.00 -1.88 -3.41 116.42 114.07 3adn h ASP 88 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 3adn h ASP 88 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.91 3adn h ASP 88 CO 0.00 0.04 0.00 0.61 -0.00 0.00 0.00 179.24 179.89 3adn n GLY 89 N -0.90 1.95 0.19 7.15 0.00 -1.25 -2.25 105.19 110.07 3adn n GLY 89 Ca -0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.90 3adn n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3adn h ALA 90 N 0.00 0.48 -0.82 4.61 0.00 -1.84 -1.21 119.26 120.48 3adn h ALA 90 Ca 0.00 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.78 3adn h ALA 90 Cb 0.00 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 3adn h ALA 90 CO 0.00 0.11 0.54 1.98 0.00 0.00 0.00 179.25 181.88 3adn h MET 91 N 0.45 1.03 0.33 0.00 -1.53 -1.89 -2.70 114.93 110.63 3adn h MET 91 Ca 0.12 -0.06 -0.02 0.00 -3.44 0.00 0.00 59.70 56.30 3adn h MET 91 Cb 0.23 -0.23 0.00 0.00 -0.55 0.00 0.00 31.60 31.05 3adn h MET 91 CO -0.01 0.68 -0.16 1.25 0.14 0.00 0.00 176.91 178.82 3adn h LEU 92 N 1.06 -0.38 -2.21 3.39 5.85 -1.74 -2.30 115.31 118.99 3adn h LEU 92 Ca 0.31 -0.02 0.04 0.00 0.84 0.00 0.00 57.88 59.06 3adn h LEU 92 Cb -0.04 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 3adn h LEU 92 CO -0.08 -0.23 0.26 0.08 -0.34 0.00 0.00 178.44 178.14 3adn h ARG 93 N -0.50 0.00 0.00 1.25 0.11 -0.92 0.12 114.38 114.44 3adn h ARG 93 Ca -0.05 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 59.99 3adn h ARG 93 Cb 0.38 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.45 3adn h ARG 93 CO 0.07 0.00 -0.28 0.93 0.10 0.00 0.00 179.97 180.79 3adn h GLU 94 N 0.00 0.00 -0.84 0.08 4.39 -1.30 -3.20 114.58 113.71 3adn h GLU 94 Ca 0.07 0.00 0.21 0.00 0.34 0.00 0.00 59.36 59.98 3adn h GLU 94 Cb 0.60 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.20 3adn h GLU 94 CO -0.00 0.84 0.58 0.28 -1.16 0.00 0.00 179.01 179.54 3adn h VAL 95 N -1.00 0.66 0.00 3.13 2.07 -0.75 0.22 116.25 120.59 3adn h VAL 95 Ca -0.07 -0.09 -0.04 0.00 0.82 0.00 0.00 66.70 67.32 3adn h VAL 95 Cb 0.92 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 3adn h VAL 95 CO -0.04 0.05 -0.19 0.74 0.02 0.00 0.00 177.57 178.14 3adn h THR 96 N 0.25 0.65 0.00 2.57 2.02 -0.83 -2.99 112.91 114.57 3adn h THR 96 Ca 0.42 -0.82 -0.06 0.00 0.77 0.00 0.00 66.41 66.72 3adn h THR 96 Cb 1.27 1.53 -0.01 0.00 -1.74 0.00 0.00 68.15 69.20 3adn h THR 96 CO -0.11 0.18 -0.29 0.03 0.37 0.00 0.00 175.52 175.71 3adn h ARG 97 N 0.00 0.00 -6.57 6.66 3.08 -0.54 -3.40 114.38 113.61 3adn h ARG 97 Ca -0.00 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.48 3adn h ARG 97 Cb 0.51 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.49 3adn h ARG 97 CO 0.02 0.29 0.89 -1.01 -1.07 0.00 0.00 179.97 179.09 3adn s HIS 98 N -3.82 2.92 0.38 3.04 3.76 -1.13 -4.90 115.29 115.53 3adn s HIS 98 Ca -0.01 0.84 0.15 0.00 -0.15 0.00 0.00 55.06 55.89 3adn s HIS 98 Cb 0.12 -4.20 0.86 0.00 1.11 0.00 0.00 32.58 30.46 3adn s HIS 98 CO 0.66 -1.12 1.88 0.87 -0.85 0.00 0.00 174.74 176.18 3adn h LYS 99 N 8.89 0.00 -0.46 1.40 1.57 -1.88 -3.10 116.57 122.99 3adn h LYS 99 Ca -0.22 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.52 3adn h LYS 99 Cb 1.06 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.35 3adn h LYS 99 CO 1.10 0.31 0.13 -0.91 -0.57 0.00 0.00 179.45 179.50 3adn h ASN 100 N 0.00 0.63 -2.02 0.86 2.35 -1.90 -3.41 115.58 112.09 3adn h ASN 100 Ca -0.00 -0.09 -0.60 0.00 -0.55 0.00 0.00 56.30 55.06 3adn h ASN 100 Cb 0.57 -0.16 0.01 0.00 0.05 0.00 0.00 38.32 38.79 3adn h ASN 100 CO 0.04 0.61 1.22 0.52 -1.65 0.00 0.00 177.43 178.17 3adn n VAL 101 N -4.32 0.56 -0.01 2.81 0.31 -1.17 -4.73 118.33 111.78 3adn n VAL 101 Ca 0.03 -0.18 0.08 0.00 -0.01 0.00 0.00 64.34 64.27 3adn n VAL 101 Cb 0.19 -2.06 -0.15 0.00 -0.91 0.00 0.00 33.84 30.92 3adn n VAL 101 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 3adn n GLU 102 N 7.30 0.66 -4.16 5.55 0.28 -0.48 -4.93 120.64 124.85 3adn n GLU 102 Ca 0.25 -0.12 -0.21 0.00 -0.16 0.00 0.00 57.16 56.92 3adn n GLU 102 Cb 0.34 -1.56 -0.16 0.00 1.43 0.00 0.00 31.44 31.48 3adn n GLU 102 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 3adn s SER 103 N -4.78 1.06 -0.03 -1.84 0.15 -0.30 -4.62 113.70 103.34 3adn s SER 103 Ca -0.07 -0.14 0.04 0.00 0.70 0.00 0.00 55.95 56.48 3adn s SER 103 Cb 0.12 -0.48 -0.00 0.00 -1.71 0.00 0.00 66.02 63.95 3adn s SER 103 CO 0.88 -0.06 -0.16 -0.63 1.20 0.00 0.00 173.24 174.48 3adn s ILE 104 N 0.97 1.30 -0.05 6.45 1.01 -0.56 -0.97 121.20 129.36 3adn s ILE 104 Ca -0.10 -0.66 0.01 0.00 0.00 0.00 0.00 60.65 59.89 3adn s ILE 104 Cb -0.14 -1.11 0.02 0.00 0.01 0.00 0.00 42.46 41.24 3adn s ILE 104 CO -0.00 0.38 -0.04 -0.89 0.00 0.00 0.00 174.94 174.39 3adn s THR 105 N -0.05 0.49 -0.19 2.92 2.01 -1.02 -2.01 115.64 117.79 3adn s THR 105 Ca -0.01 -0.08 -0.03 0.00 0.31 0.00 0.00 61.69 61.88 3adn s THR 105 Cb -0.10 -0.54 -0.01 0.00 0.01 0.00 0.00 72.50 71.86 3adn s THR 105 CO 0.01 0.22 -0.06 -0.32 -0.69 0.00 0.00 174.62 173.79 3adn s MET 106 N 1.06 3.45 -0.41 4.92 1.75 -1.09 -0.49 119.30 128.48 3adn s MET 106 Ca -0.09 -0.61 -0.07 0.00 -1.25 0.00 0.00 55.69 53.67 3adn s MET 106 Cb -0.14 -2.91 0.09 0.00 2.84 0.00 0.00 34.83 34.71 3adn s MET 106 CO -0.01 -0.01 0.23 0.08 -0.65 0.00 0.00 175.02 174.67 3adn s VAL 107 N 0.99 3.88 0.49 10.11 1.01 -1.08 -1.02 120.40 134.78 3adn s VAL 107 Ca -0.00 -1.62 0.04 0.00 0.00 0.00 0.00 61.98 60.40 3adn s VAL 107 Cb -0.15 -3.45 -0.01 0.00 0.00 0.00 0.00 36.38 32.77 3adn s VAL 107 CO 0.00 -0.56 0.18 -0.70 0.00 0.00 0.00 175.10 174.03 3adn s GLU 108 N 1.33 2.21 -0.14 2.72 2.56 -0.91 -2.33 118.70 124.14 3adn s GLU 108 Ca 0.04 -2.12 -0.15 0.00 0.00 0.00 0.00 54.97 52.74 3adn s GLU 108 Cb -0.23 -1.84 -0.24 0.00 2.00 0.00 0.00 34.13 33.81 3adn s GLU 108 CO -0.00 -0.38 0.40 0.82 -0.56 0.00 0.00 175.26 175.54 3adn h ILE 109 N 1.18 0.88 -3.34 -3.70 2.04 -1.92 -3.38 117.51 109.26 3adn h ILE 109 Ca -0.41 -2.32 -0.33 0.00 1.00 0.00 0.00 64.86 62.81 3adn h ILE 109 Cb 1.29 2.51 -0.36 0.00 -0.74 0.00 0.00 36.82 39.52 3adn h ILE 109 CO 0.68 0.65 -0.71 1.51 0.00 0.00 0.00 178.15 180.28 3adn s ASP 110 N -6.98 0.65 0.00 1.72 3.84 -1.26 -4.98 116.67 109.67 3adn s ASP 110 Ca -0.23 0.12 0.00 0.00 -0.00 0.00 0.00 52.55 52.44 3adn s ASP 110 Cb 0.05 -0.04 0.00 0.00 -1.38 0.00 0.00 42.92 41.56 3adn s ASP 110 CO 0.71 -0.20 0.37 0.00 -0.00 0.00 0.00 175.17 176.05 3adn n ALA 111 N 4.87 1.10 -0.04 2.11 0.00 -1.26 -1.89 120.51 125.40 3adn n ALA 111 Ca -0.13 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.25 3adn n ALA 111 Cb 0.50 -0.74 -0.05 0.00 0.00 0.00 0.00 19.45 19.17 3adn n ALA 111 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3adn h GLY 112 N 0.00 -0.04 0.58 0.00 0.00 -1.99 -3.07 103.07 98.56 3adn h GLY 112 Ca 0.00 0.01 0.18 0.00 0.00 0.00 0.00 47.33 47.52 3adn h GLY 112 CO 0.00 -0.01 0.54 -0.24 0.00 0.00 0.00 176.54 176.82 3adn h VAL 113 N -0.99 0.46 0.25 4.60 3.04 -1.80 0.56 116.25 122.38 3adn h VAL 113 Ca -0.00 0.00 -0.34 0.00 -1.01 0.00 0.00 66.70 65.35 3adn h VAL 113 Cb 0.38 0.60 0.04 0.00 -2.01 0.00 0.00 31.29 30.30 3adn h VAL 113 CO 0.01 0.00 -1.48 -0.37 -1.01 0.00 0.00 177.57 174.72 3adn h VAL 114 N 0.00 1.29 -0.01 1.51 -1.51 -1.68 -1.72 116.25 114.13 3adn h VAL 114 Ca 0.30 -2.72 -0.11 0.00 -1.23 0.00 0.00 66.70 62.93 3adn h VAL 114 Cb 1.37 3.04 -0.02 0.00 -2.13 0.00 0.00 31.29 33.55 3adn h VAL 114 CO -0.00 0.81 -0.53 0.77 -1.23 0.00 0.00 177.57 177.39 3adn h SER 115 N 0.15 0.04 -0.10 4.19 4.64 -0.69 -2.17 113.55 119.60 3adn h SER 115 Ca -0.25 -0.02 -0.04 0.00 -0.47 0.00 0.00 61.79 61.00 3adn h SER 115 Cb 2.17 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 64.25 3adn h SER 115 CO 0.28 0.56 -0.11 0.15 -0.87 0.00 0.00 176.83 176.84 3adn h PHE 116 N 0.03 0.31 -0.30 4.77 3.57 -0.03 -3.21 116.94 122.07 3adn h PHE 116 Ca -0.00 -0.09 -0.00 0.00 3.53 0.00 0.00 57.97 61.40 3adn h PHE 116 Cb 0.95 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.61 3adn h PHE 116 CO 0.00 0.68 0.17 0.00 -2.23 0.00 0.00 178.31 176.94 3adn h ARG 118 N 0.37 0.00 0.02 0.00 2.43 -1.41 0.63 114.38 116.42 3adn h ARG 118 Ca 0.11 0.00 -0.39 0.00 -0.81 0.00 0.00 59.98 58.89 3adn h ARG 118 Cb 0.03 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.53 3adn h ARG 118 CO -0.02 0.00 -2.21 0.94 -1.51 0.00 0.00 179.97 177.17 3adn n GLN 119 N -2.36 0.63 -0.01 0.20 7.27 -0.90 -4.23 117.38 117.98 3adn n GLN 119 Ca -0.01 0.29 -0.13 0.00 0.07 0.00 0.00 57.00 57.22 3adn n GLN 119 Cb 0.24 -1.58 -0.14 0.00 2.41 0.00 0.00 30.24 31.17 3adn n GLN 119 CO 0.00 0.00 0.00 1.88 0.07 0.00 0.00 177.06 179.01 3adn h TYR 120 N -0.58 0.17 -2.32 3.69 0.05 -1.24 -3.39 116.97 113.35 3adn h TYR 120 Ca -0.57 -0.13 -0.64 0.00 0.05 0.00 0.00 58.73 57.45 3adn h TYR 120 Cb 1.69 -0.01 -0.39 0.00 1.01 0.00 0.00 36.73 39.04 3adn h TYR 120 CO 0.00 1.27 -0.28 1.28 -1.05 0.00 0.00 178.16 179.38 3adn n LEU 121 N -3.20 4.70 0.11 3.88 4.77 0.22 -4.92 117.00 122.55 3adn n LEU 121 Ca -0.21 -5.50 -0.13 0.00 -0.03 0.00 0.00 56.01 50.14 3adn n LEU 121 Cb 1.05 -0.75 -0.08 0.00 -2.33 0.00 0.00 43.42 41.31 3adn n LEU 121 CO 0.45 2.12 0.80 1.55 -1.33 0.00 0.00 177.39 180.98 3adn h PRO 122 N 3.93 -0.20 0.00 3.23 0.13 -1.73 -2.92 132.00 134.43 3adn h PRO 122 Ca 0.21 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.35 3adn h PRO 122 Cb 0.57 0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.74 3adn h PRO 122 CO 0.93 -0.10 0.00 0.09 -0.23 0.00 0.00 178.00 178.68 3adn n ASN 123 N -5.16 0.14 0.13 1.44 3.02 -1.26 -0.98 115.26 112.58 3adn n ASN 123 Ca -0.09 0.56 -0.06 0.00 -0.03 0.00 0.00 54.58 54.96 3adn n ASN 123 Cb 0.12 -0.58 -0.03 0.00 -0.61 0.00 0.00 39.78 38.68 3adn n ASN 123 CO 0.00 0.00 0.00 0.45 -2.62 0.00 0.00 177.26 175.09 3adn h HIS 124 N 0.00 -0.36 0.00 3.10 3.86 -1.76 -3.28 115.15 116.71 3adn h HIS 124 Ca 0.00 -0.01 -0.07 0.00 -1.16 0.00 0.00 60.37 59.13 3adn h HIS 124 Cb 0.05 0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.63 3adn h HIS 124 CO 0.00 -0.22 -0.35 -2.95 0.86 0.00 0.00 177.93 175.26 3adn h ASN 125 N -0.91 0.00 -1.99 2.45 -1.07 -1.30 -3.06 115.58 109.70 3adn h ASN 125 Ca -0.04 0.00 -0.32 0.00 0.07 0.00 0.00 56.30 56.01 3adn h ASN 125 Cb 0.30 0.00 -0.09 0.00 -2.07 0.00 0.00 38.32 36.46 3adn h ASN 125 CO 0.06 0.35 -0.33 0.00 0.07 0.00 0.00 177.43 177.59 3adn n ALA 126 N -2.44 -0.40 -2.51 4.14 0.00 -0.16 -1.10 120.51 118.05 3adn n ALA 126 Ca -0.02 0.21 -0.03 0.00 0.00 0.00 0.00 53.44 53.61 3adn n ALA 126 Cb 0.40 -1.66 0.01 0.00 0.00 0.00 0.00 19.45 18.20 3adn n ALA 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3adn n GLY 127 N -0.49 0.65 0.06 0.00 0.00 -1.26 -4.93 105.19 99.22 3adn n GLY 127 Ca -0.17 -0.61 0.11 0.00 0.00 0.00 0.00 46.02 45.36 3adn n GLY 127 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3adn n SER 128 N 1.05 0.41 0.00 1.61 2.88 -0.26 -3.94 113.62 115.36 3adn n SER 128 Ca -0.01 0.13 0.02 0.00 -1.33 0.00 0.00 58.87 57.68 3adn n SER 128 Cb 0.51 1.25 0.13 0.00 -0.75 0.00 0.00 64.21 65.35 3adn n SER 128 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 3adn n TYR 129 N -2.42 0.00 0.12 0.66 4.01 -1.26 -0.59 117.16 117.67 3adn n TYR 129 Ca -0.02 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.81 3adn n TYR 129 Cb 0.55 0.00 0.17 0.00 -0.31 0.00 0.00 39.34 39.76 3adn n TYR 129 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3adn n ASP 130 N -0.92 3.05 -4.67 7.72 8.00 -1.25 -4.97 116.55 123.51 3adn n ASP 130 Ca 0.03 -1.89 -0.43 0.00 0.71 0.00 0.00 54.79 53.22 3adn n ASP 130 Cb 0.01 -0.22 -0.02 0.00 -0.02 0.00 0.00 41.12 40.87 3adn n ASP 130 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3adn s ASP 131 N -1.17 7.04 0.61 -2.24 2.15 0.24 -4.89 116.67 118.41 3adn s ASP 131 Ca 0.30 1.66 0.29 0.00 0.43 0.00 0.00 52.55 55.22 3adn s ASP 131 Cb 0.17 -2.55 1.56 0.00 -0.30 0.00 0.00 42.92 41.81 3adn s ASP 131 CO 0.23 -0.66 1.87 1.55 -0.17 0.00 0.00 175.17 178.00 3adn h PRO 132 N 7.72 0.00 0.00 4.34 0.13 -1.93 0.66 132.00 142.92 3adn h PRO 132 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3adn h PRO 132 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 3adn h PRO 132 CO 0.93 0.00 -0.40 0.54 -0.23 0.00 0.00 178.00 178.85 3adn n ARG 133 N -2.78 0.08 -3.26 0.86 1.74 -1.26 -4.89 116.66 107.15 3adn n ARG 133 Ca -0.02 0.03 -0.36 0.00 -0.77 0.00 0.00 57.85 56.73 3adn n ARG 133 Cb 0.34 -1.56 -0.06 0.00 -1.02 0.00 0.00 32.46 30.16 3adn n ARG 133 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 3adn s PHE 134 N -3.04 3.68 -0.06 -1.55 5.36 0.22 -1.49 117.98 121.09 3adn s PHE 134 Ca 0.11 1.21 -0.02 0.00 -0.96 0.00 0.00 56.93 57.26 3adn s PHE 134 Cb 0.17 -2.47 0.04 0.00 -0.34 0.00 0.00 43.02 40.41 3adn s PHE 134 CO 0.66 0.45 0.11 0.15 -1.46 0.00 0.00 175.22 175.13 3adn s LYS 135 N -1.73 -0.02 -0.22 10.12 1.02 -0.85 -4.95 119.74 123.11 3adn s LYS 135 Ca 0.37 0.44 -0.21 0.00 0.02 0.00 0.00 55.97 56.59 3adn s LYS 135 Cb -0.17 -0.37 -0.02 0.00 -0.52 0.00 0.00 37.83 36.76 3adn s LYS 135 CO 0.20 -0.30 0.66 -1.17 -0.92 0.00 0.00 175.35 173.83 3adn s LEU 136 N 2.07 4.11 0.11 3.17 2.96 -1.26 -2.69 118.68 127.15 3adn s LEU 136 Ca 0.02 0.84 0.08 0.00 -0.22 0.00 0.00 54.13 54.86 3adn s LEU 136 Cb -0.12 -2.93 -0.04 0.00 0.50 0.00 0.00 46.19 43.60 3adn s LEU 136 CO -0.04 -0.34 -0.16 -0.69 -1.32 0.00 0.00 176.35 173.80 3adn s VAL 137 N 2.21 2.96 -0.89 1.68 1.01 -0.19 -5.00 120.40 122.18 3adn s VAL 137 Ca 0.29 -1.44 0.01 0.00 0.00 0.00 0.00 61.98 60.84 3adn s VAL 137 Cb -0.16 -2.36 0.33 0.00 0.00 0.00 0.00 36.38 34.20 3adn s VAL 137 CO 0.10 0.11 1.62 -0.38 0.00 0.00 0.00 175.10 176.55 3adn n ILE 138 N 0.81 5.06 0.00 2.22 2.08 -1.26 -2.15 119.36 126.12 3adn n ILE 138 Ca -0.15 -5.71 0.00 0.00 0.56 0.00 0.00 62.75 57.45 3adn n ILE 138 Cb 0.53 -1.48 0.00 0.00 -0.75 0.00 0.00 39.64 37.94 3adn n ILE 138 CO 0.00 0.00 0.00 0.52 0.56 0.00 0.00 176.55 177.63 3adn n VAL 145 N -0.16 0.00 -1.38 1.39 0.31 -1.26 -4.84 118.33 112.39 3adn n VAL 145 Ca 0.44 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.77 3adn n VAL 145 Cb 0.30 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.23 3adn n VAL 145 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 3adn n ASN 146 N 0.00 -1.63 0.00 4.52 5.15 -1.26 -4.79 115.26 117.26 3adn n ASN 146 Ca 0.00 0.70 0.00 0.00 -0.60 0.00 0.00 54.58 54.68 3adn n ASN 146 Cb 0.00 -2.15 0.00 0.00 -0.53 0.00 0.00 39.78 37.10 3adn n ASN 146 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3adn n GLN 147 N -0.15 0.00 -0.36 1.20 6.02 -1.26 -4.93 117.38 117.90 3adn n GLN 147 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3adn n GLN 147 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 3adn n GLN 147 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 3adn n THR 148 N 0.00 0.00 -4.24 5.09 -1.04 -1.26 -2.16 114.28 110.67 3adn n THR 148 Ca 0.00 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.70 3adn n THR 148 Cb 0.00 -0.36 -0.08 0.00 -1.82 0.00 0.00 70.33 68.07 3adn n THR 148 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 3adn n SER 149 N 1.34 0.51 0.05 8.00 3.41 -1.26 -4.86 113.62 120.81 3adn n SER 149 Ca 0.00 -1.23 -0.11 0.00 -0.26 0.00 0.00 58.87 57.27 3adn n SER 149 Cb 0.17 -1.86 -0.13 0.00 -0.26 0.00 0.00 64.21 62.12 3adn n SER 149 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3adn h GLN 150 N -1.83 0.10 -3.67 4.33 4.20 -1.79 -3.51 115.11 112.94 3adn h GLN 150 Ca -0.66 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 57.88 3adn h GLN 150 Cb 1.40 0.06 0.00 0.00 0.30 0.00 0.00 27.48 29.24 3adn h GLN 150 CO 0.69 0.97 -0.86 -2.37 -0.67 0.00 0.00 178.83 176.58 3adn n THR 151 N -3.35 -5.26 -4.34 -0.54 5.66 -1.25 -5.07 114.28 100.13 3adn n THR 151 Ca -0.08 2.37 -0.18 0.00 -3.05 0.00 0.00 64.05 63.11 3adn n THR 151 Cb 1.00 -3.20 -0.10 0.00 -1.55 0.00 0.00 70.33 66.47 3adn n THR 151 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 175.07 171.66 3adn s PHE 152 N -2.12 1.67 -0.10 1.09 0.08 0.50 -4.83 117.98 114.28 3adn s PHE 152 Ca 0.00 -0.66 0.14 0.00 0.12 0.00 0.00 56.93 56.53 3adn s PHE 152 Cb 0.00 -0.84 -0.24 0.00 -0.57 0.00 0.00 43.02 41.37 3adn s PHE 152 CO 0.00 0.26 0.43 -0.25 -0.10 0.00 0.00 175.22 175.56 3adn n ASP 153 N -0.39 0.60 -3.65 1.36 8.00 0.20 0.11 116.55 122.77 3adn n ASP 153 Ca -0.08 0.25 -0.23 0.00 0.71 0.00 0.00 54.79 55.45 3adn n ASP 153 Cb 0.61 0.30 -0.17 0.00 -0.02 0.00 0.00 41.12 41.84 3adn n ASP 153 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3adn s VAL 154 N -2.56 -0.04 -0.23 2.53 1.01 -1.21 -1.27 120.40 118.64 3adn s VAL 154 Ca -0.07 0.10 -0.10 0.00 0.00 0.00 0.00 61.98 61.91 3adn s VAL 154 Cb 0.07 -0.40 -0.05 0.00 0.00 0.00 0.00 36.38 36.00 3adn s VAL 154 CO 0.82 -0.03 0.13 -0.63 0.00 0.00 0.00 175.10 175.39 3adn s ILE 155 N 2.13 5.15 -0.25 2.22 -1.09 0.59 -0.66 121.20 129.28 3adn s ILE 155 Ca 0.03 0.11 0.02 0.00 -2.23 0.00 0.00 60.65 58.58 3adn s ILE 155 Cb -0.14 -3.39 0.05 0.00 -1.58 0.00 0.00 42.46 37.40 3adn s ILE 155 CO -0.06 0.37 -0.11 -0.63 -1.23 0.00 0.00 174.94 173.29 3adn s ILE 156 N 0.94 2.32 -0.16 2.92 1.01 0.12 -0.61 121.20 127.73 3adn s ILE 156 Ca 0.07 -1.44 -0.10 0.00 0.00 0.00 0.00 60.65 59.17 3adn s ILE 156 Cb -0.13 -2.29 -0.05 0.00 0.01 0.00 0.00 42.46 40.00 3adn s ILE 156 CO 0.03 0.07 0.18 -0.55 0.00 0.00 0.00 174.94 174.67 3adn s SER 157 N 1.17 6.33 0.25 3.58 0.15 -0.37 0.10 113.70 124.91 3adn s SER 157 Ca -0.06 0.38 0.07 0.00 0.70 0.00 0.00 55.95 57.05 3adn s SER 157 Cb -0.19 -2.11 -0.04 0.00 -1.71 0.00 0.00 66.02 61.98 3adn s SER 157 CO -0.06 0.23 0.17 -0.62 1.20 0.00 0.00 173.24 174.16 3adn s ASP 158 N -0.02 5.40 -0.23 5.45 -1.08 -0.28 -3.69 116.67 122.22 3adn s ASP 158 Ca 0.12 -0.30 -0.29 0.00 -0.52 0.00 0.00 52.55 51.56 3adn s ASP 158 Cb -0.12 -1.33 -0.01 0.00 -1.46 0.00 0.00 42.92 39.99 3adn s ASP 158 CO 0.01 -0.03 1.36 0.00 0.52 0.00 0.00 175.17 177.03 3adn n THR 171 N 5.91 0.00 0.23 0.00 5.66 -1.26 -4.94 114.28 119.88 3adn n THR 171 Ca 0.15 0.00 0.01 0.00 -3.05 0.00 0.00 64.05 61.16 3adn n THR 171 Cb 0.46 0.00 0.04 0.00 -1.55 0.00 0.00 70.33 69.27 3adn n THR 171 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 3adn n SER 172 N 0.00 0.00 -0.02 1.09 3.41 -1.26 -0.41 113.62 116.42 3adn n SER 172 Ca 0.00 -0.20 0.06 0.00 -0.26 0.00 0.00 58.87 58.47 3adn n SER 172 Cb 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 63.81 3adn n SER 172 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3adn n ALA 173 N -0.66 2.46 0.10 7.33 0.00 -1.26 -4.11 120.51 124.36 3adn n ALA 173 Ca 0.01 -0.59 -0.17 0.00 0.00 0.00 0.00 53.44 52.68 3adn n ALA 173 Cb 0.00 -0.53 -0.14 0.00 0.00 0.00 0.00 19.45 18.78 3adn n ALA 173 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3adn h PHE 174 N 0.00 0.54 -0.14 0.00 3.57 -1.19 -3.32 116.94 116.40 3adn h PHE 174 Ca -0.10 -0.40 -0.20 0.00 3.53 0.00 0.00 57.97 60.81 3adn h PHE 174 Cb 1.11 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.83 3adn h PHE 174 CO 0.00 1.34 -0.71 1.88 -2.23 0.00 0.00 178.31 178.59 3adn h TYR 175 N 0.08 0.83 -0.97 0.41 0.05 -1.75 -1.73 116.97 113.89 3adn h TYR 175 Ca -0.18 -0.35 0.05 0.00 0.05 0.00 0.00 58.73 58.30 3adn h TYR 175 Cb 2.01 -0.13 -0.06 0.00 1.01 0.00 0.00 36.73 39.56 3adn h TYR 175 CO 0.07 1.15 0.63 1.49 -1.05 0.00 0.00 178.16 180.45 3adn h GLU 176 N 0.44 1.15 -0.10 4.88 4.81 -1.71 -1.19 114.58 122.84 3adn h GLU 176 Ca -0.03 -0.07 -0.06 0.00 -0.13 0.00 0.00 59.36 59.07 3adn h GLU 176 Cb 1.31 -0.26 -0.00 0.00 0.63 0.00 0.00 28.75 30.43 3adn h GLU 176 CO 0.14 0.76 -0.15 0.78 -0.73 0.00 0.00 179.01 179.80 3adn h GLY 177 N 1.18 0.31 0.22 1.92 0.00 -1.63 -2.96 103.07 102.12 3adn h GLY 177 Ca 0.40 -0.35 0.11 0.00 0.00 0.00 0.00 47.33 47.50 3adn h GLY 177 CO -0.14 0.31 0.18 0.00 0.00 0.00 0.00 176.54 176.90 3adn h LYS 179 N 0.33 0.32 -0.14 0.00 3.64 -1.19 -2.82 116.57 116.70 3adn h LYS 179 Ca 0.33 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.62 3adn h LYS 179 Cb 0.48 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.24 3adn h LYS 179 CO -0.38 0.37 -0.05 0.00 -2.27 0.00 0.00 179.45 177.12 3adn h ARG 180 N 0.31 0.28 -1.06 1.90 3.08 -1.18 -3.14 114.38 114.57 3adn h ARG 180 Ca 0.07 -0.11 -0.39 0.00 0.07 0.00 0.00 59.98 59.61 3adn h ARG 180 Cb 0.26 -0.01 -0.22 0.00 0.08 0.00 0.00 29.97 30.09 3adn h ARG 180 CO 0.01 0.59 0.50 0.00 -1.07 0.00 0.00 179.97 180.00 3adn s LEU 182 N -2.41 2.30 1.02 0.00 2.96 -1.07 -0.37 118.68 121.11 3adn s LEU 182 Ca 0.42 -0.51 -0.12 0.00 -0.22 0.00 0.00 54.13 53.69 3adn s LEU 182 Cb 0.34 -1.50 0.17 0.00 0.50 0.00 0.00 46.19 45.71 3adn s LEU 182 CO 0.06 0.12 0.87 0.59 -1.32 0.00 0.00 176.35 176.66 3adn n ASN 183 N 3.84 -0.95 -0.20 3.68 4.13 0.29 -4.80 115.26 121.25 3adn n ASN 183 Ca -0.19 0.18 -0.03 0.00 1.68 0.00 0.00 54.58 56.23 3adn n ASN 183 Cb 0.52 -1.32 -0.01 0.00 -1.54 0.00 0.00 39.78 37.43 3adn n ASN 183 CO 0.00 0.00 0.00 -2.65 0.28 0.00 0.00 177.26 174.89 3adn n PRO 184 N -3.80 -0.16 -2.08 3.52 -0.02 -1.26 -2.46 135.00 128.74 3adn n PRO 184 Ca 0.07 0.77 -0.17 0.00 -2.02 0.00 0.00 63.50 62.15 3adn n PRO 184 Cb 0.54 -1.13 0.04 0.00 -0.02 0.00 0.00 33.50 32.93 3adn n PRO 184 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3adn n GLY 185 N -1.19 5.30 3.86 -1.23 0.00 -1.26 -4.80 105.19 105.88 3adn n GLY 185 Ca 0.03 -2.22 -0.30 0.00 0.00 0.00 0.00 46.02 43.53 3adn n GLY 185 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3adn s GLY 186 N -3.59 1.74 0.04 -0.02 0.00 -1.03 -4.74 107.32 99.72 3adn s GLY 186 Ca 0.45 -1.13 0.08 0.00 0.00 0.00 0.00 44.72 44.12 3adn s GLY 186 CO 0.01 -0.35 -0.23 -0.42 0.00 0.00 0.00 173.10 172.11 3adn s ILE 187 N -3.70 2.40 -0.16 0.90 -1.09 -0.40 -4.24 121.20 114.91 3adn s ILE 187 Ca 0.73 -1.29 0.00 0.00 -2.23 0.00 0.00 60.65 57.87 3adn s ILE 187 Cb -0.05 -1.96 0.03 0.00 -1.58 0.00 0.00 42.46 38.89 3adn s ILE 187 CO 0.54 0.37 -0.13 0.12 -1.23 0.00 0.00 174.94 174.61 3adn s PHE 188 N -0.84 2.14 -0.07 3.97 5.36 -0.39 -0.30 117.98 127.85 3adn s PHE 188 Ca 0.13 -1.24 0.04 0.00 -0.96 0.00 0.00 56.93 54.90 3adn s PHE 188 Cb -0.10 -1.56 0.00 0.00 -0.34 0.00 0.00 43.02 41.01 3adn s PHE 188 CO 0.03 -0.67 -0.20 0.14 -1.46 0.00 0.00 175.22 173.07 3adn s VAL 189 N 1.49 1.68 0.04 3.12 -7.23 0.22 -2.57 120.40 117.14 3adn s VAL 189 Ca 0.04 -0.82 0.03 0.00 -1.81 0.00 0.00 61.98 59.42 3adn s VAL 189 Cb -0.13 -1.45 -0.02 0.00 0.56 0.00 0.00 36.38 35.33 3adn s VAL 189 CO -0.10 0.47 -0.10 0.00 -0.31 0.00 0.00 175.10 175.06 3adn s ALA 190 N 0.25 0.83 -0.36 1.32 0.00 -1.15 -1.23 121.76 121.41 3adn s ALA 190 Ca -0.11 -0.75 -0.29 0.00 0.00 0.00 0.00 51.96 50.81 3adn s ALA 190 Cb -0.15 -0.07 0.01 0.00 0.00 0.00 0.00 23.12 22.91 3adn s ALA 190 CO 0.05 0.10 1.31 -1.14 0.00 0.00 0.00 175.76 176.08 3adn s GLN 191 N -1.29 3.77 -0.61 0.00 -0.44 -1.24 0.57 119.66 120.43 3adn s GLN 191 Ca -0.04 1.04 -0.00 0.00 -2.50 0.00 0.00 55.36 53.86 3adn s GLN 191 Cb -0.08 -3.93 0.51 0.00 -1.64 0.00 0.00 33.01 27.86 3adn s GLN 191 CO 0.01 -1.31 2.01 0.09 0.50 0.00 0.00 175.29 176.59 3adn n ASN 192 N 8.05 6.66 -1.07 6.67 4.13 -0.07 -4.87 115.26 134.77 3adn n ASN 192 Ca 0.15 -3.74 0.10 0.00 1.68 0.00 0.00 54.58 52.78 3adn n ASN 192 Cb 0.47 -0.94 -0.05 0.00 -1.54 0.00 0.00 39.78 37.72 3adn n ASN 192 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3adn n GLY 193 N -0.97 -1.88 3.71 7.41 0.00 -1.24 -4.49 105.19 107.74 3adn n GLY 193 Ca 0.62 -0.60 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 3adn n GLY 193 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3adn s VAL 194 N -4.33 2.32 -0.84 1.61 0.11 -1.26 -2.05 120.40 115.96 3adn s VAL 194 Ca 0.00 0.17 0.01 0.00 -2.93 0.00 0.00 61.98 59.24 3adn s VAL 194 Cb 0.00 -3.11 0.29 0.00 -1.53 0.00 0.00 36.38 32.03 3adn s VAL 194 CO 0.00 0.01 1.19 0.00 -3.33 0.00 0.00 175.10 172.97 3adn n PHE 196 N 0.72 0.00 -3.37 0.00 7.35 -1.26 -4.88 117.46 116.02 3adn n PHE 196 Ca 0.31 0.00 -0.42 0.00 -0.76 0.00 0.00 57.45 56.58 3adn n PHE 196 Cb 0.36 -0.04 -0.09 0.00 0.35 0.00 0.00 39.48 40.06 3adn n PHE 196 CO 0.00 0.00 0.00 -0.48 -0.76 0.00 0.00 176.76 175.52 3adn s LEU 197 N -6.97 4.69 0.01 -2.13 2.34 -1.26 -4.81 118.68 110.55 3adn s LEU 197 Ca -0.02 -0.49 0.00 0.00 0.06 0.00 0.00 54.13 53.67 3adn s LEU 197 Cb 0.00 -2.34 0.00 0.00 -0.56 0.00 0.00 46.19 43.29 3adn s LEU 197 CO 0.03 -0.46 0.00 1.67 -1.06 0.00 0.00 176.35 176.53 3adn n GLN 198 N 5.46 -0.18 0.00 1.48 0.00 -1.26 -4.97 117.38 117.90 3adn n GLN 198 Ca -0.08 0.31 0.00 0.00 -0.00 0.00 0.00 57.00 57.23 3adn n GLN 198 Cb 0.48 -0.14 0.00 0.00 0.00 0.00 0.00 30.24 30.58 3adn n GLN 198 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 3adn n GLN 199 N -0.26 1.74 -0.19 3.69 3.00 -1.26 -4.63 117.38 119.46 3adn n GLN 199 Ca 0.00 -1.08 -0.07 0.00 -0.01 0.00 0.00 57.00 55.84 3adn n GLN 199 Cb 0.00 -0.80 0.08 0.00 0.00 0.00 0.00 30.24 29.51 3adn n GLN 199 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.06 177.99 3adn h GLU 200 N 0.00 1.00 -0.98 -1.09 3.07 -1.99 -1.83 114.58 112.77 3adn h GLU 200 Ca 0.00 -0.28 0.11 0.00 -0.50 0.00 0.00 59.36 58.69 3adn h GLU 200 Cb 0.68 -0.11 -0.08 0.00 -0.84 0.00 0.00 28.75 28.40 3adn h GLU 200 CO 0.00 0.96 0.62 0.93 -1.40 0.00 0.00 179.01 180.12 3adn h GLU 201 N 0.93 0.94 -0.12 2.33 5.08 -1.93 0.12 114.58 121.93 3adn h GLU 201 Ca 0.18 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.44 3adn h GLU 201 Cb 0.48 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 3adn h GLU 201 CO 0.02 0.62 -0.11 0.00 -1.00 0.00 0.00 179.01 178.55 3adn h ALA 202 N 1.54 0.17 -0.28 3.43 0.00 -1.70 -1.04 119.26 121.38 3adn h ALA 202 Ca 0.48 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3adn h ALA 202 Cb 0.47 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3adn h ALA 202 CO -0.24 0.01 0.13 0.82 0.00 0.00 0.00 179.25 179.97 3adn h ILE 203 N -0.12 1.10 0.14 0.00 2.04 -0.53 0.27 117.51 120.42 3adn h ILE 203 Ca 0.02 -0.29 -0.29 0.00 1.00 0.00 0.00 64.86 65.30 3adn h ILE 203 Cb 0.62 0.75 0.01 0.00 -0.74 0.00 0.00 36.82 37.46 3adn h ILE 203 CO 0.03 0.12 -1.33 0.44 0.00 0.00 0.00 178.15 177.40 3adn h ASP 204 N 0.38 0.48 -0.16 1.72 5.19 -0.79 -2.54 116.42 120.70 3adn h ASP 204 Ca 0.10 -0.53 -0.11 0.00 -0.62 0.00 0.00 57.03 55.86 3adn h ASP 204 Cb 0.05 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 39.39 3adn h ASP 204 CO -0.01 1.42 -0.26 0.28 -3.12 0.00 0.00 179.24 177.55 3adn h SER 205 N 0.08 0.64 0.18 6.45 0.02 -0.50 -2.11 113.55 118.31 3adn h SER 205 Ca -0.17 -0.23 -0.01 0.00 -0.84 0.00 0.00 61.79 60.54 3adn h SER 205 Cb 2.01 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 64.37 3adn h SER 205 CO 0.21 0.88 -0.09 -0.74 -1.14 0.00 0.00 176.83 175.95 3adn h HIS 206 N 0.55 -0.23 -0.16 3.45 6.17 -0.50 -0.93 115.15 123.51 3adn h HIS 206 Ca 0.07 -0.01 0.03 0.00 0.71 0.00 0.00 60.37 61.18 3adn h HIS 206 Cb 0.74 0.07 -0.03 0.00 2.52 0.00 0.00 27.41 30.71 3adn h HIS 206 CO 0.03 -0.05 -0.02 -0.09 0.71 0.00 0.00 177.93 178.51 3adn h ARG 207 N -0.36 0.02 0.62 5.26 2.43 -1.34 0.35 114.38 121.35 3adn h ARG 207 Ca -0.02 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 3adn h ARG 207 Cb 0.28 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 3adn h ARG 207 CO 0.04 0.01 -0.40 0.87 -1.51 0.00 0.00 179.97 178.98 3adn h LYS 208 N 0.02 -0.93 -0.79 0.20 1.57 -1.36 -2.56 116.57 112.72 3adn h LYS 208 Ca 0.08 0.06 0.07 0.00 -1.87 0.00 0.00 60.65 58.99 3adn h LYS 208 Cb 0.11 0.21 -0.06 0.00 0.08 0.00 0.00 32.23 32.57 3adn h LYS 208 CO -0.15 -0.62 0.46 -0.07 -0.57 0.00 0.00 179.45 178.50 3adn h LEU 209 N -0.97 0.70 -2.19 2.94 4.07 -1.02 0.81 115.31 119.65 3adn h LEU 209 Ca -0.08 0.03 0.04 0.00 0.08 0.00 0.00 57.88 57.95 3adn h LEU 209 Cb 0.79 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 42.41 3adn h LEU 209 CO 0.06 0.44 0.27 0.28 -1.08 0.00 0.00 178.44 178.42 3adn h SER 210 N 0.83 0.00 1.04 -0.43 0.02 -0.10 0.12 113.55 115.02 3adn h SER 210 Ca 0.35 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 61.24 3adn h SER 210 Cb 0.22 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 3adn h SER 210 CO -0.19 0.00 -0.32 -0.74 -1.14 0.00 0.00 176.83 174.44 3adn h HIS 211 N 0.00 0.00 0.00 3.45 6.17 -0.42 -3.35 115.15 121.00 3adn h HIS 211 Ca 0.06 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.14 3adn h HIS 211 Cb 0.61 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.54 3adn h HIS 211 CO 0.00 0.32 -0.58 0.66 0.71 0.00 0.00 177.93 179.04 3adn n TYR 212 N -3.40 0.00 -4.49 5.26 4.01 -0.51 -5.06 117.16 112.98 3adn n TYR 212 Ca 0.00 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.44 3adn n TYR 212 Cb 0.52 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.43 3adn n TYR 212 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 3adn s PHE 213 N -1.39 2.62 0.11 -0.72 0.08 0.29 -5.01 117.98 113.96 3adn s PHE 213 Ca 0.00 -0.22 -0.15 0.00 0.12 0.00 0.00 56.93 56.68 3adn s PHE 213 Cb 0.00 -1.45 -0.05 0.00 -0.57 0.00 0.00 43.02 40.96 3adn s PHE 213 CO 0.00 0.32 1.50 1.03 -0.10 0.00 0.00 175.22 177.98 3adn h SER 214 N 4.20 0.72 -3.38 1.36 0.87 -1.84 -3.40 113.55 112.08 3adn h SER 214 Ca -0.48 -0.38 -0.51 0.00 -1.23 0.00 0.00 61.79 59.18 3adn h SER 214 Cb 1.16 -0.20 -0.34 0.00 -0.44 0.00 0.00 62.40 62.58 3adn h SER 214 CO 0.49 0.94 -0.81 -0.62 -0.53 0.00 0.00 176.83 176.29 3adn s ASP 215 N -6.35 1.82 -0.03 6.23 2.15 -0.18 -5.00 116.67 115.30 3adn s ASP 215 Ca -0.13 -0.30 0.02 0.00 0.43 0.00 0.00 52.55 52.58 3adn s ASP 215 Cb 0.09 -0.82 0.01 0.00 -0.30 0.00 0.00 42.92 41.90 3adn s ASP 215 CO 0.81 0.01 -0.07 -0.69 -0.17 0.00 0.00 175.17 175.05 3adn s VAL 216 N 0.85 0.66 0.00 1.11 1.01 -1.26 -1.13 120.40 121.65 3adn s VAL 216 Ca -0.11 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 61.61 3adn s VAL 216 Cb -0.15 -0.63 0.00 0.00 0.00 0.00 0.00 36.38 35.60 3adn s VAL 216 CO 0.02 0.23 0.00 0.61 0.00 0.00 0.00 175.10 175.95 3adn n GLY 217 N 3.59 4.55 3.57 4.51 0.00 0.40 -4.97 105.19 116.84 3adn n GLY 217 Ca -0.21 -1.03 -0.01 0.00 0.00 0.00 0.00 46.02 44.77 3adn n GLY 217 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3adn s PHE 218 N -0.66 -1.31 0.44 1.61 0.08 -1.26 -1.91 117.98 114.97 3adn s PHE 218 Ca 0.00 2.20 0.08 0.00 0.12 0.00 0.00 56.93 59.33 3adn s PHE 218 Cb 0.00 0.74 0.01 0.00 -0.57 0.00 0.00 43.02 43.19 3adn s PHE 218 CO 0.00 -0.67 0.52 1.52 -0.10 0.00 0.00 175.22 176.50 3adn s TYR 219 N 2.87 2.58 0.09 0.36 1.13 -1.11 -4.64 117.35 118.64 3adn s TYR 219 Ca -0.03 -0.48 -0.10 0.00 -1.41 0.00 0.00 57.07 55.04 3adn s TYR 219 Cb -0.12 -2.28 0.00 0.00 -1.10 0.00 0.00 41.96 38.47 3adn s TYR 219 CO -0.18 -0.40 0.23 -1.14 -2.51 0.00 0.00 175.55 171.54 3adn s GLN 220 N -4.31 0.88 -0.03 -3.49 -0.44 0.19 -1.87 119.66 110.58 3adn s GLN 220 Ca 0.53 -0.91 -0.24 0.00 -2.50 0.00 0.00 55.36 52.24 3adn s GLN 220 Cb -0.07 0.36 0.05 0.00 -1.64 0.00 0.00 33.01 31.71 3adn s GLN 220 CO 0.31 -0.29 0.52 0.00 0.50 0.00 0.00 175.29 176.33 3adn s ALA 221 N -3.84 -1.33 -0.30 1.58 0.00 -0.68 -4.65 121.76 112.55 3adn s ALA 221 Ca 0.04 0.87 -0.10 0.00 0.00 0.00 0.00 51.96 52.77 3adn s ALA 221 Cb 0.04 0.05 -0.02 0.00 0.00 0.00 0.00 23.12 23.19 3adn s ALA 221 CO -0.11 -0.33 0.16 0.00 0.00 0.00 0.00 175.76 175.48 3adn s ALA 222 N -1.30 3.33 -0.32 0.00 0.00 -1.26 0.02 121.76 122.23 3adn s ALA 222 Ca -0.12 -1.31 -0.09 0.00 0.00 0.00 0.00 51.96 50.44 3adn s ALA 222 Cb -0.02 -2.39 -0.00 0.00 0.00 0.00 0.00 23.12 20.70 3adn s ALA 222 CO 0.07 -0.80 0.15 0.42 0.00 0.00 0.00 175.76 175.60 3adn s ILE 223 N 1.65 4.54 0.53 0.00 1.09 -1.26 -4.97 121.20 122.77 3adn s ILE 223 Ca 0.05 -0.49 0.40 0.00 -1.10 0.00 0.00 60.65 59.51 3adn s ILE 223 Cb -0.17 -3.34 0.61 0.00 -1.06 0.00 0.00 42.46 38.50 3adn s ILE 223 CO 0.07 0.04 1.69 1.55 -0.10 0.00 0.00 174.94 178.19 3adn h PRO 224 N 8.35 0.03 -0.13 2.79 0.13 -1.93 0.34 132.00 141.58 3adn h PRO 224 Ca -0.31 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 3adn h PRO 224 Cb 1.14 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.26 3adn h PRO 224 CO 0.62 0.02 0.00 2.41 -0.23 0.00 0.00 178.00 180.82 3adn n THR 225 N -4.18 0.16 -3.23 1.56 -1.04 -1.26 -4.16 114.28 102.13 3adn n THR 225 Ca 0.34 -0.36 -0.31 0.00 -2.04 0.00 0.00 64.05 61.68 3adn n THR 225 Cb 1.55 0.50 -0.05 0.00 -1.82 0.00 0.00 70.33 70.51 3adn n THR 225 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 3adn n TYR 226 N 0.41 3.32 -1.17 -1.42 4.01 0.12 -4.96 117.16 117.47 3adn n TYR 226 Ca 0.17 -3.69 -0.43 0.00 -0.16 0.00 0.00 57.90 53.79 3adn n TYR 226 Cb 0.37 -0.75 -0.04 0.00 -0.31 0.00 0.00 39.34 38.61 3adn n TYR 226 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 3adn n TYR 227 N 0.79 0.04 0.00 -0.72 9.36 -1.26 -4.19 117.16 121.18 3adn n TYR 227 Ca 0.30 0.82 0.00 0.00 3.32 0.00 0.00 57.90 62.34 3adn n TYR 227 Cb 0.38 -1.64 0.00 0.00 -0.63 0.00 0.00 39.34 37.46 3adn n TYR 227 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3adn n GLY 228 N 1.43 1.54 5.69 2.98 0.00 -1.26 -4.96 105.19 110.60 3adn n GLY 228 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3adn n GLY 228 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3adn n GLY 229 N -0.71 -0.46 3.44 -0.02 0.00 -1.26 -4.58 105.19 101.60 3adn n GLY 229 Ca 0.00 -1.27 -0.50 0.00 0.00 0.00 0.00 46.02 44.25 3adn n GLY 229 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3adn n ILE 230 N 0.00 1.60 -4.89 -0.61 -0.00 -1.26 -4.42 119.36 109.78 3adn n ILE 230 Ca 0.00 -0.40 -0.33 0.00 -0.00 0.00 0.00 62.75 62.02 3adn n ILE 230 Cb 0.00 -0.12 -0.13 0.00 -0.00 0.00 0.00 39.64 39.39 3adn n ILE 230 CO 0.00 0.00 0.00 -0.32 -0.00 0.00 0.00 176.55 176.23 3adn s MET 231 N -0.84 2.54 0.02 0.38 -2.45 0.10 -2.87 119.30 116.18 3adn s MET 231 Ca 0.69 -0.70 -0.04 0.00 -1.25 0.00 0.00 55.69 54.40 3adn s MET 231 Cb -0.97 -2.39 -0.04 0.00 1.25 0.00 0.00 34.83 32.68 3adn s MET 231 CO 0.56 0.61 0.23 0.99 1.05 0.00 0.00 175.02 178.46 3adn s THR 232 N -0.69 5.36 -0.02 10.11 2.01 -0.87 -1.68 115.64 129.87 3adn s THR 232 Ca 0.11 -0.08 0.05 0.00 0.31 0.00 0.00 61.69 62.08 3adn s THR 232 Cb -0.11 -3.57 -0.01 0.00 0.01 0.00 0.00 72.50 68.82 3adn s THR 232 CO 0.01 0.28 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.68 3adn s PHE 233 N -1.38 1.58 -0.03 4.92 0.08 -0.78 -0.89 117.98 121.47 3adn s PHE 233 Ca 0.30 -0.32 -0.23 0.00 0.12 0.00 0.00 56.93 56.80 3adn s PHE 233 Cb -0.13 -1.03 -0.04 0.00 -0.57 0.00 0.00 43.02 41.25 3adn s PHE 233 CO 0.20 -0.05 0.69 0.00 -0.10 0.00 0.00 175.22 175.96 3adn s ALA 234 N -0.34 3.37 -0.20 5.36 0.00 0.19 -2.74 121.76 127.41 3adn s ALA 234 Ca 0.05 0.14 0.01 0.00 0.00 0.00 0.00 51.96 52.16 3adn s ALA 234 Cb -0.07 -2.92 0.03 0.00 0.00 0.00 0.00 23.12 20.15 3adn s ALA 234 CO -0.00 -0.02 -0.17 -0.46 0.00 0.00 0.00 175.76 175.11 3adn s TRP 235 N 0.44 2.89 -0.07 0.00 -0.11 -0.80 -2.95 118.94 118.33 3adn s TRP 235 Ca 0.36 -1.72 -0.03 0.00 1.22 0.00 0.00 56.10 55.94 3adn s TRP 235 Cb -0.18 -1.94 0.04 0.00 -1.50 0.00 0.00 33.47 29.89 3adn s TRP 235 CO 0.19 -0.80 0.14 0.00 -4.62 0.00 0.00 176.95 171.86 3adn s ALA 236 N 1.27 -0.19 0.12 5.86 0.00 -1.06 0.15 121.76 127.91 3adn s ALA 236 Ca 0.02 0.60 -0.25 0.00 0.00 0.00 0.00 51.96 52.34 3adn s ALA 236 Cb -0.14 -0.59 0.08 0.00 0.00 0.00 0.00 23.12 22.46 3adn s ALA 236 CO -0.11 -0.32 0.70 -0.08 0.00 0.00 0.00 175.76 175.95 3adn s THR 237 N 1.64 0.00 -1.95 0.00 -1.32 -0.28 -1.26 115.64 112.46 3adn s THR 237 Ca -0.04 -0.08 0.28 0.00 -1.21 0.00 0.00 61.69 60.64 3adn s THR 237 Cb -0.12 -1.09 0.44 0.00 -1.51 0.00 0.00 72.50 70.23 3adn s THR 237 CO -0.06 0.00 1.74 0.47 -2.21 0.00 0.00 174.62 174.57 3adn n ASP 238 N -0.35 0.93 -4.30 8.08 9.92 -1.26 -1.01 116.55 128.56 3adn n ASP 238 Ca -0.13 -0.98 -0.45 0.00 -0.53 0.00 0.00 54.79 52.69 3adn n ASP 238 Cb 0.64 0.03 -0.05 0.00 -0.64 0.00 0.00 41.12 41.10 3adn n ASP 238 CO 0.00 0.00 0.00 0.21 0.13 0.00 0.00 177.20 177.54 3adn s ASN 239 N -2.32 6.23 0.00 -2.24 3.04 -1.26 -4.79 114.94 113.59 3adn s ASN 239 Ca 0.31 -1.99 0.18 0.00 0.04 0.00 0.00 52.86 51.40 3adn s ASN 239 Cb 0.20 -2.18 0.96 0.00 -1.54 0.00 0.00 41.25 38.69 3adn s ASN 239 CO 0.45 -0.78 1.53 -0.90 -3.04 0.00 0.00 177.10 174.35 3adn n ASP 240 N 4.95 0.00 0.12 -4.21 5.75 -1.26 -3.17 116.55 118.73 3adn n ASP 240 Ca -0.08 -0.13 -0.00 0.00 -0.01 0.00 0.00 54.79 54.57 3adn n ASP 240 Cb 0.41 -0.21 0.03 0.00 -1.03 0.00 0.00 41.12 40.32 3adn n ASP 240 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3adn h ALA 241 N 2.93 0.63 -0.01 2.12 0.00 -1.97 -3.42 119.26 119.53 3adn h ALA 241 Ca 0.00 -0.59 -0.62 0.00 0.00 0.00 0.00 54.91 53.71 3adn h ALA 241 Cb 0.12 -0.10 0.09 0.00 0.00 0.00 0.00 17.79 17.90 3adn h ALA 241 CO 0.00 0.81 1.87 1.28 0.00 0.00 0.00 179.25 183.21 3adn n LEU 242 N -3.33 2.74 0.05 0.00 4.32 -1.19 -3.94 117.00 115.65 3adn n LEU 242 Ca 0.01 -2.30 0.00 0.00 -0.02 0.00 0.00 56.01 53.70 3adn n LEU 242 Cb 0.76 -0.87 0.00 0.00 -1.62 0.00 0.00 43.42 41.70 3adn n LEU 242 CO 0.42 -1.11 0.00 0.54 -1.22 0.00 0.00 177.39 176.02 3adn n ARG 243 N 7.45 0.00 -0.75 3.23 1.74 -1.26 -5.06 116.66 122.01 3adn n ARG 243 Ca 0.48 0.00 0.10 0.00 -0.77 0.00 0.00 57.85 57.67 3adn n ARG 243 Cb 0.41 -0.18 -0.03 0.00 -1.02 0.00 0.00 32.46 31.65 3adn n ARG 243 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3adn n HIS 244 N -3.07 -2.80 -4.43 -1.55 8.25 -1.25 -4.97 115.22 105.41 3adn n HIS 244 Ca 0.00 0.93 -0.24 0.00 -0.26 0.00 0.00 57.72 58.15 3adn n HIS 244 Cb 0.00 -1.70 -0.09 0.00 1.12 0.00 0.00 29.99 29.32 3adn n HIS 244 CO 0.00 0.00 0.00 -0.48 0.64 0.00 0.00 176.34 176.50 3adn s LEU 245 N 0.00 2.74 0.27 2.41 -0.00 -1.26 -5.05 118.68 117.80 3adn s LEU 245 Ca 0.00 -0.93 -0.04 0.00 -0.00 0.00 0.00 54.13 53.15 3adn s LEU 245 Cb 0.00 -1.26 0.34 0.00 -0.00 0.00 0.00 46.19 45.27 3adn s LEU 245 CO 0.00 0.03 1.94 0.28 -0.00 0.00 0.00 176.35 178.60 3adn h SER 246 N 2.17 1.07 -0.85 1.48 0.02 -1.93 -2.85 113.55 112.66 3adn h SER 246 Ca -0.41 -0.03 0.05 0.00 -0.84 0.00 0.00 61.79 60.56 3adn h SER 246 Cb 1.26 -0.27 -0.06 0.00 0.14 0.00 0.00 62.40 63.47 3adn h SER 246 CO 0.60 0.78 0.53 0.71 -1.14 0.00 0.00 176.83 178.31 3adn h THR 247 N 1.26 1.07 -0.14 -2.27 1.35 -1.97 -1.29 112.91 110.92 3adn h THR 247 Ca 0.34 -0.34 -0.01 0.00 -0.55 0.00 0.00 66.41 65.85 3adn h THR 247 Cb -0.14 -0.01 -0.01 0.00 -1.73 0.00 0.00 68.15 66.26 3adn h THR 247 CO -0.07 0.18 0.06 -0.33 -0.25 0.00 0.00 175.52 175.11 3adn h GLU 248 N 1.00 0.21 0.00 4.72 3.07 -1.93 -2.02 114.58 119.63 3adn h GLU 248 Ca 0.36 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 59.18 3adn h GLU 248 Cb 0.11 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 27.99 3adn h GLU 248 CO -0.15 0.30 0.00 -0.89 -1.40 0.00 0.00 179.01 176.86 3adn n ILE 249 N -4.89 1.48 -0.99 3.13 5.41 -0.73 -1.74 119.36 121.04 3adn n ILE 249 Ca -0.05 0.61 -0.17 0.00 1.00 0.00 0.00 62.75 64.15 3adn n ILE 249 Cb 0.11 -1.61 -0.13 0.00 -0.71 0.00 0.00 39.64 37.31 3adn n ILE 249 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 3adn n ILE 250 N -1.90 3.05 1.05 1.39 2.08 -0.57 -1.51 119.36 122.95 3adn n ILE 250 Ca -0.01 -1.61 0.11 0.00 0.56 0.00 0.00 62.75 61.80 3adn n ILE 250 Cb 0.02 -2.09 0.07 0.00 -0.75 0.00 0.00 39.64 36.89 3adn n ILE 250 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3adn n GLN 251 N 2.81 0.71 0.00 0.38 6.02 -0.71 -3.64 117.38 122.95 3adn n GLN 251 Ca 0.47 -0.55 0.00 0.00 -0.01 0.00 0.00 57.00 56.92 3adn n GLN 251 Cb 0.70 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.47 3adn n GLN 251 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3adn n ALA 252 N -0.67 1.29 0.00 -1.58 0.00 -0.57 -5.06 120.51 113.92 3adn n ALA 252 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 3adn n ALA 252 Cb 0.40 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 18.94 3adn n ALA 252 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3adn n ARG 253 N -1.04 0.00 0.00 0.00 0.00 -1.24 -4.88 116.66 109.50 3adn n ARG 253 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 3adn n ARG 253 Cb 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 32.47 3adn n ARG 253 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 3adn n LEU 259 N 0.00 0.00 -2.69 2.89 0.00 -1.26 -5.08 117.00 110.86 3adn n LEU 259 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 56.01 55.98 3adn n LEU 259 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 43.42 43.39 3adn n LEU 259 CO 0.00 0.00 -0.58 1.17 0.00 0.00 0.00 177.39 177.98 3adn n LYS 260 N 0.00 -3.93 -1.57 1.96 3.00 -1.26 -5.08 118.16 111.28 3adn n LYS 260 Ca 0.00 3.05 -0.02 0.00 -0.00 0.00 0.00 58.31 61.34 3adn n LYS 260 Cb 0.00 -4.90 0.00 0.00 0.00 0.00 0.00 35.03 30.13 3adn n LYS 260 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3adn n ARG 262 N -0.72 0.29 0.09 0.00 1.74 -1.26 -4.88 116.66 111.92 3adn n ARG 262 Ca 0.00 -0.52 0.00 0.00 -0.77 0.00 0.00 57.85 56.57 3adn n ARG 262 Cb 0.05 -0.97 0.00 0.00 -1.02 0.00 0.00 32.46 30.52 3adn n ARG 262 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 3adn n TYR 263 N -0.07 -1.50 -1.67 -1.55 9.36 -1.26 -5.02 117.16 115.46 3adn n TYR 263 Ca 0.01 0.27 -0.39 0.00 3.32 0.00 0.00 57.90 61.10 3adn n TYR 263 Cb 0.04 0.54 0.03 0.00 -0.63 0.00 0.00 39.34 39.32 3adn n TYR 263 CO 0.00 0.00 0.00 0.98 0.22 0.00 0.00 176.86 178.06 3adn n TYR 264 N -3.09 1.57 -3.57 2.98 9.36 -1.26 -4.97 117.16 118.18 3adn n TYR 264 Ca 0.00 0.47 -0.09 0.00 3.32 0.00 0.00 57.90 61.61 3adn n TYR 264 Cb 0.00 -2.27 -0.04 0.00 -0.63 0.00 0.00 39.34 36.40 3adn n TYR 264 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 3adn s ASN 265 N -0.91 -0.32 0.25 2.98 6.03 -1.26 -4.54 114.94 117.18 3adn s ASN 265 Ca 0.69 0.23 -0.07 0.00 -1.03 0.00 0.00 52.86 52.68 3adn s ASN 265 Cb -0.46 0.28 0.45 0.00 -3.03 0.00 0.00 41.25 38.49 3adn s ASN 265 CO 0.52 -0.37 1.62 -0.65 -2.03 0.00 0.00 177.10 176.19 3adn h PRO 266 N 2.32 0.08 -0.22 3.55 0.11 -1.93 0.17 132.00 136.07 3adn h PRO 266 Ca -0.17 -0.00 0.06 0.00 0.11 0.00 0.00 66.00 66.00 3adn h PRO 266 Cb 1.18 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 3adn h PRO 266 CO 0.29 0.05 0.16 0.00 -0.21 0.00 0.00 178.00 178.29 3adn h ALA 267 N 1.74 2.20 0.06 -0.75 0.00 -1.97 -1.46 119.26 119.09 3adn h ALA 267 Ca 0.43 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 55.12 3adn h ALA 267 Cb 0.75 0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.58 3adn h ALA 267 CO -0.71 -0.26 -0.87 0.82 0.00 0.00 0.00 179.25 178.23 3adn h ILE 268 N 0.01 1.39 -0.47 0.00 1.08 -1.09 -2.80 117.51 115.63 3adn h ILE 268 Ca 0.10 -2.30 0.08 0.00 -0.39 0.00 0.00 64.86 62.36 3adn h ILE 268 Cb 0.41 2.74 -0.07 0.00 -3.07 0.00 0.00 36.82 36.83 3adn h ILE 268 CO -0.00 0.68 0.05 -0.74 -0.69 0.00 0.00 178.15 177.45 3adn h HIS 269 N -0.01 0.07 -0.49 1.37 2.76 -0.26 0.16 115.15 118.74 3adn h HIS 269 Ca -0.13 0.03 -0.08 0.00 -2.20 0.00 0.00 60.37 57.99 3adn h HIS 269 Cb 1.59 0.04 -0.02 0.00 1.55 0.00 0.00 27.41 30.57 3adn h HIS 269 CO 0.15 -0.05 -0.02 1.15 -1.30 0.00 0.00 177.93 177.85 3adn h THR 270 N 0.17 1.26 0.00 6.26 2.02 -1.44 -3.20 112.91 117.99 3adn h THR 270 Ca 0.23 -1.11 -0.05 0.00 0.77 0.00 0.00 66.41 66.26 3adn h THR 270 Cb 0.33 1.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.74 3adn h THR 270 CO -0.34 0.39 -0.22 0.00 0.37 0.00 0.00 175.52 175.71 3adn h ALA 271 N 0.92 0.96 0.00 6.16 0.00 -1.12 -3.17 119.26 123.00 3adn h ALA 271 Ca 0.14 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3adn h ALA 271 Cb 0.55 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3adn h ALA 271 CO 0.03 0.28 0.00 0.00 0.00 0.00 0.00 179.25 179.56 3adn h ALA 272 N 1.78 1.00 -0.04 0.00 0.00 -0.98 -1.32 119.26 119.70 3adn h ALA 272 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3adn h ALA 272 Cb 0.86 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3adn h ALA 272 CO 0.03 0.00 0.00 1.19 0.00 0.00 0.00 179.25 180.47 3adn n PHE 273 N -2.96 0.04 -2.99 0.00 3.72 -1.20 0.53 117.46 114.60 3adn n PHE 273 Ca -0.01 -0.02 -0.44 0.00 -0.05 0.00 0.00 57.45 56.93 3adn n PHE 273 Cb 0.16 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.66 3adn n PHE 273 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3adn s ALA 274 N -1.96 3.28 0.26 4.37 0.00 -0.50 -4.90 121.76 122.32 3adn s ALA 274 Ca 0.38 -2.10 -0.16 0.00 0.00 0.00 0.00 51.96 50.08 3adn s ALA 274 Cb 0.20 -3.71 -0.08 0.00 0.00 0.00 0.00 23.12 19.53 3adn s ALA 274 CO 0.32 -2.58 0.70 -0.51 0.00 0.00 0.00 175.76 173.69 3adn s LEU 275 N 3.28 4.20 0.78 0.00 1.43 -1.26 -4.93 118.68 122.17 3adn s LEU 275 Ca 0.18 1.28 -0.14 0.00 -1.03 0.00 0.00 54.13 54.41 3adn s LEU 275 Cb -0.20 -3.79 0.07 0.00 0.03 0.00 0.00 46.19 42.30 3adn s LEU 275 CO 0.07 -0.08 1.21 -2.16 0.23 0.00 0.00 176.35 175.62 3adn s PRO 276 N -2.52 1.81 0.13 1.29 0.04 -1.26 -4.83 135.00 129.67 3adn s PRO 276 Ca 0.48 1.77 -0.22 0.00 0.04 0.00 0.00 61.00 63.06 3adn s PRO 276 Cb -0.13 -1.79 -0.03 0.00 0.04 0.00 0.00 34.50 32.59 3adn s PRO 276 CO 0.19 -2.09 1.67 0.37 0.04 0.00 0.00 177.00 177.18 3adn h GLN 277 N -0.68 -0.19 -0.19 4.56 5.75 -2.00 -3.04 115.11 119.32 3adn h GLN 277 Ca -0.47 0.01 0.05 0.00 -0.15 0.00 0.00 58.65 58.10 3adn h GLN 277 Cb 1.30 0.04 -0.06 0.00 1.07 0.00 0.00 27.48 29.83 3adn h GLN 277 CO 0.47 -0.13 -0.21 0.10 -2.65 0.00 0.00 178.83 176.42 3adn h TYR 278 N -0.20 -0.55 -0.98 3.99 -0.00 -2.00 -1.81 116.97 115.43 3adn h TYR 278 Ca 0.09 0.03 0.15 0.00 -0.00 0.00 0.00 58.73 59.00 3adn h TYR 278 Cb 0.32 0.27 -0.09 0.00 -0.00 0.00 0.00 36.73 37.23 3adn h TYR 278 CO -0.26 -0.29 0.62 1.25 -0.00 0.00 0.00 178.16 179.48 3adn h LEU 279 N -0.23 0.81 0.00 0.10 6.46 -1.87 -0.91 115.31 119.67 3adn h LEU 279 Ca 0.12 0.06 0.00 0.00 -0.12 0.00 0.00 57.88 57.94 3adn h LEU 279 Cb 0.42 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 40.25 3adn h LEU 279 CO -0.33 0.38 -0.12 0.06 -0.62 0.00 0.00 178.44 177.82 3adn h GLN 280 N 0.85 0.00 -0.57 1.25 3.07 -1.30 -2.96 115.11 115.45 3adn h GLN 280 Ca 0.51 0.00 0.04 0.00 0.09 0.00 0.00 58.65 59.30 3adn h GLN 280 Cb 0.69 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 28.20 3adn h GLN 280 CO -0.29 0.00 0.31 -0.44 0.09 0.00 0.00 178.83 178.50 3adn h ASP 281 N 0.00 0.46 0.00 0.06 3.32 -0.36 -3.52 116.42 116.38 3adn h ASP 281 Ca 0.00 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.07 3adn h ASP 281 Cb 0.85 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.33 3adn h ASP 281 CO 0.00 0.31 0.00 0.00 -1.72 0.00 0.00 179.24 177.83