#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 3.50 0.04 1.08 -0.00 0.33 -4.89 118.94 119.00 3adn s TRP 7 Ca 0.00 1.25 0.01 0.00 -0.00 0.00 0.00 56.10 57.36 3adn s TRP 7 Cb 0.00 -2.92 -0.04 0.00 -0.00 0.00 0.00 33.47 30.51 3adn s TRP 7 CO 0.00 -0.08 0.12 -1.01 -0.00 0.00 0.00 176.95 175.97 3adn s HIS 8 N 1.50 3.32 -0.14 5.86 3.76 -1.26 0.12 115.29 128.45 3adn s HIS 8 Ca 0.38 0.18 -0.17 0.00 -0.15 0.00 0.00 55.06 55.30 3adn s HIS 8 Cb -0.17 -1.71 -0.04 0.00 1.11 0.00 0.00 32.58 31.77 3adn s HIS 8 CO 0.16 0.56 0.42 -2.00 -0.85 0.00 0.00 174.74 173.02 3adn s GLU 9 N -2.15 4.31 -0.33 1.40 2.12 -0.61 -4.95 118.70 118.49 3adn s GLU 9 Ca 0.28 0.33 0.09 0.00 0.36 0.00 0.00 54.97 56.03 3adn s GLU 9 Cb -0.12 -3.44 0.61 0.00 0.26 0.00 0.00 34.13 31.44 3adn s GLU 9 CO 0.20 0.17 1.67 2.41 -0.54 0.00 0.00 175.26 179.17 3adn n THR 10 N 3.68 2.79 -0.07 -1.70 -1.04 0.07 -4.57 114.28 113.44 3adn n THR 10 Ca -0.09 -2.15 -0.12 0.00 -2.04 0.00 0.00 64.05 59.65 3adn n THR 10 Cb 0.52 -0.36 -0.06 0.00 -1.82 0.00 0.00 70.33 68.61 3adn n THR 10 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3adn h LEU 11 N 1.48 0.43 -9.89 -4.42 5.85 -1.89 -3.46 115.31 103.42 3adn h LEU 11 Ca 0.32 -0.41 -0.59 0.00 0.84 0.00 0.00 57.88 58.04 3adn h LEU 11 Cb 2.13 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 43.00 3adn h LEU 11 CO 0.65 0.74 -0.52 -1.00 -0.34 0.00 0.00 178.44 177.98 3adn s HIS 12 N -4.59 3.41 -0.44 1.25 3.76 -1.26 -5.07 115.29 112.35 3adn s HIS 12 Ca -0.14 0.15 -0.21 0.00 -0.15 0.00 0.00 55.06 54.71 3adn s HIS 12 Cb 0.06 -1.68 0.02 0.00 1.11 0.00 0.00 32.58 32.10 3adn s HIS 12 CO 0.76 0.55 0.66 0.16 -0.85 0.00 0.00 174.74 176.01 3adn s ASP 13 N -2.77 6.33 0.00 1.40 3.84 -1.26 -4.30 116.67 119.91 3adn s ASP 13 Ca 0.33 -0.32 0.00 0.00 -0.00 0.00 0.00 52.55 52.56 3adn s ASP 13 Cb -0.12 -2.33 0.00 0.00 -1.38 0.00 0.00 42.92 39.09 3adn s ASP 13 CO 0.27 -0.80 0.00 0.00 -0.00 0.00 0.00 175.17 174.64 3adn n GLN 14 N 6.32 0.00 -3.72 2.11 1.13 -1.26 -5.03 117.38 116.93 3adn n GLN 14 Ca -0.01 0.00 -0.03 0.00 -1.94 0.00 0.00 57.00 55.02 3adn n GLN 14 Cb 0.48 -0.65 -0.01 0.00 0.11 0.00 0.00 30.24 30.17 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 -2.48 -0.12 -2.57 1.08 -0.71 -1.26 -5.18 117.98 106.73 3adn s PHE 15 Ca 0.00 -0.14 0.00 0.00 -1.04 0.00 0.00 56.93 55.75 3adn s PHE 15 Cb 0.00 0.62 0.00 0.00 -1.21 0.00 0.00 43.02 42.43 3adn s PHE 15 CO 0.00 -0.72 0.00 0.41 -1.34 0.00 0.00 175.22 173.57 3adn n GLY 16 N -0.46 -1.32 3.25 1.99 0.00 -1.26 -4.11 105.19 103.27 3adn n GLY 16 Ca -0.07 -1.02 -0.23 0.00 0.00 0.00 0.00 46.02 44.70 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 -1.04 1.12 0.08 1.61 -2.07 -1.26 -5.01 119.66 113.08 3adn s GLN 17 Ca 0.00 -1.05 0.06 0.00 -1.82 0.00 0.00 55.36 52.55 3adn s GLN 17 Cb 0.00 -1.29 -0.03 0.00 -1.09 0.00 0.00 33.01 30.60 3adn s GLN 17 CO 0.00 0.31 -0.17 1.52 -1.32 0.00 0.00 175.29 175.63 3adn s TYR 18 N -1.07 1.46 -0.02 9.60 1.13 -1.26 -1.57 117.35 125.62 3adn s TYR 18 Ca 0.05 -0.43 0.04 0.00 -1.41 0.00 0.00 57.07 55.33 3adn s TYR 18 Cb -0.10 -0.82 -0.01 0.00 -1.10 0.00 0.00 41.96 39.94 3adn s TYR 18 CO 0.03 0.11 -0.14 -0.06 -2.51 0.00 0.00 175.55 172.98 3adn s PHE 19 N -1.15 1.36 -0.17 -3.49 0.08 0.12 -4.90 117.98 109.83 3adn s PHE 19 Ca 0.02 -0.31 -0.29 0.00 0.12 0.00 0.00 56.93 56.47 3adn s PHE 19 Cb -0.10 -0.90 -0.00 0.00 -0.57 0.00 0.00 43.02 41.45 3adn s PHE 19 CO 0.03 -0.07 1.03 0.00 -0.10 0.00 0.00 175.22 176.11 3adn s ALA 20 N -0.16 3.55 -0.03 5.36 0.00 -1.26 0.12 121.76 129.34 3adn s ALA 20 Ca 0.02 0.29 -0.30 0.00 0.00 0.00 0.00 51.96 51.97 3adn s ALA 20 Cb -0.08 -3.50 -0.03 0.00 0.00 0.00 0.00 23.12 19.52 3adn s ALA 20 CO 0.00 -0.83 0.97 0.08 0.00 0.00 0.00 175.76 175.98 3adn s VAL 21 N 2.61 4.86 -0.03 0.00 1.01 -1.26 -4.52 120.40 123.08 3adn s VAL 21 Ca 0.46 2.03 0.10 0.00 0.00 0.00 0.00 61.98 64.58 3adn s VAL 21 Cb -0.17 -4.31 -0.15 0.00 0.00 0.00 0.00 36.38 31.75 3adn s VAL 21 CO 0.12 0.13 0.19 0.47 0.00 0.00 0.00 175.10 176.02 3adn n ASP 22 N 4.13 2.62 -3.19 3.32 8.00 -1.09 -4.98 116.55 125.38 3adn n ASP 22 Ca 0.06 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.60 3adn n ASP 22 Cb 0.51 1.34 -0.04 0.00 -0.02 0.00 0.00 41.12 42.91 3adn n ASP 22 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 3adn s ASN 23 N -3.38 -0.11 0.08 -2.24 3.84 -1.26 -4.99 114.94 106.88 3adn s ASN 23 Ca -0.04 0.13 -0.28 0.00 0.21 0.00 0.00 52.86 52.89 3adn s ASN 23 Cb 0.06 1.12 -0.06 0.00 -0.55 0.00 0.00 41.25 41.82 3adn s ASN 23 CO 0.43 -0.02 0.87 -0.69 -2.79 0.00 0.00 177.10 174.90 3adn s VAL 24 N 2.24 4.61 -0.14 -5.21 1.01 -1.26 -1.52 120.40 120.14 3adn s VAL 24 Ca -0.01 1.87 0.18 0.00 0.00 0.00 0.00 61.98 64.02 3adn s VAL 24 Cb -0.02 -4.23 -0.26 0.00 0.00 0.00 0.00 36.38 31.86 3adn s VAL 24 CO -0.15 0.34 0.19 0.18 0.00 0.00 0.00 175.10 175.66 3adn n LEU 25 N 2.81 0.00 -3.84 3.92 7.99 0.07 -4.96 117.00 122.99 3adn n LEU 25 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 56.01 55.91 3adn n LEU 25 Cb 0.50 0.32 -0.04 0.00 -0.11 0.00 0.00 43.42 44.08 3adn n LEU 25 CO 0.49 0.32 0.24 -0.47 -1.51 0.00 0.00 177.39 176.46 3adn s TYR 26 N -2.78 0.04 0.00 -1.77 5.04 -1.13 -4.96 117.35 111.79 3adn s TYR 26 Ca -0.09 -0.41 0.00 0.00 -2.44 0.00 0.00 57.07 54.14 3adn s TYR 26 Cb 0.08 0.33 0.00 0.00 0.35 0.00 0.00 41.96 42.72 3adn s TYR 26 CO 0.81 -0.95 0.00 1.58 -1.34 0.00 0.00 175.55 175.65 3adn n HIS 27 N -0.35 0.00 0.00 4.97 -0.00 -1.25 -2.83 115.22 115.77 3adn n HIS 27 Ca -0.07 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.11 3adn n HIS 27 Cb 0.62 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.49 3adn n HIS 27 CO 0.00 0.00 0.00 -0.85 0.46 0.00 0.00 176.34 175.95 3adn n GLU 28 N 0.00 0.00 -0.20 1.57 -0.00 -1.09 -5.04 120.64 115.88 3adn n GLU 28 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 57.16 57.20 3adn n GLU 28 Cb 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 31.44 31.52 3adn n GLU 28 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 3adn n GLN 33 N 0.00 -0.05 -2.38 3.44 1.13 -1.26 -4.09 117.38 114.18 3adn n GLN 33 Ca 0.00 0.88 -0.03 0.00 -1.94 0.00 0.00 57.00 55.91 3adn n GLN 33 Cb 0.00 -1.32 0.06 0.00 0.11 0.00 0.00 30.24 29.09 3adn n GLN 33 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 3adn n ASP 34 N -4.91 -1.11 -4.66 1.08 4.64 -1.26 -4.94 116.55 105.38 3adn n ASP 34 Ca 0.09 -1.83 -0.43 0.00 -1.38 0.00 0.00 54.79 51.24 3adn n ASP 34 Cb 0.29 0.65 -0.02 0.00 -1.04 0.00 0.00 41.12 41.00 3adn n ASP 34 CO 0.00 0.00 0.00 -0.22 -0.82 0.00 0.00 177.20 176.16 3adn s LEU 35 N -2.47 4.15 0.02 -2.67 0.20 -1.26 -3.22 118.68 113.42 3adn s LEU 35 Ca 0.08 1.67 0.08 0.00 0.69 0.00 0.00 54.13 56.65 3adn s LEU 35 Cb 0.24 -3.54 -0.02 0.00 -0.43 0.00 0.00 46.19 42.44 3adn s LEU 35 CO -0.06 -0.82 -0.23 -0.51 -0.29 0.00 0.00 176.35 174.44 3adn s ILE 36 N 3.68 1.81 -0.43 6.68 1.10 -0.18 -2.66 121.20 131.19 3adn s ILE 36 Ca 0.57 -1.13 0.03 0.00 -0.51 0.00 0.00 60.65 59.60 3adn s ILE 36 Cb -0.22 -1.54 0.16 0.00 0.15 0.00 0.00 42.46 41.01 3adn s ILE 36 CO 0.17 0.37 0.30 -0.63 -2.11 0.00 0.00 174.94 173.04 3adn s ILE 37 N -0.68 0.73 0.34 2.00 1.01 -1.13 -1.18 121.20 122.29 3adn s ILE 37 Ca 0.09 -2.55 0.05 0.00 0.00 0.00 0.00 60.65 58.24 3adn s ILE 37 Cb -0.09 -1.51 0.06 0.00 0.01 0.00 0.00 42.46 40.93 3adn s ILE 37 CO 0.01 -1.09 0.47 2.22 0.00 0.00 0.00 174.94 176.55 3adn n PHE 38 N 3.20 -2.66 -4.41 3.97 -1.74 -1.23 -0.76 117.46 113.84 3adn n PHE 38 Ca 0.20 -1.19 -0.26 0.00 -0.56 0.00 0.00 57.45 55.65 3adn n PHE 38 Cb 0.41 -0.33 -0.11 0.00 1.52 0.00 0.00 39.48 40.98 3adn n PHE 38 CO 0.00 0.00 0.00 -1.21 -0.56 0.00 0.00 176.76 174.99 3adn s GLU 39 N -3.56 1.70 0.02 3.97 2.02 -0.57 -0.59 118.70 121.69 3adn s GLU 39 Ca 0.35 -1.54 0.00 0.00 0.02 0.00 0.00 54.97 53.80 3adn s GLU 39 Cb -0.03 -1.90 -0.02 0.00 0.10 0.00 0.00 34.13 32.29 3adn s GLU 39 CO 0.23 0.38 -0.03 1.21 0.02 0.00 0.00 175.26 177.07 3adn s ASN 40 N -2.99 0.29 0.35 -0.19 3.84 -0.33 -2.65 114.94 113.25 3adn s ASN 40 Ca 0.25 -0.37 0.06 0.00 0.21 0.00 0.00 52.86 53.00 3adn s ASN 40 Cb -0.07 0.06 0.73 0.00 -0.55 0.00 0.00 41.25 41.42 3adn s ASN 40 CO 0.13 -0.20 1.92 0.00 -2.79 0.00 0.00 177.10 176.16 3adn h ALA 41 N 5.04 1.71 0.00 1.71 0.00 -1.88 -0.01 119.26 125.82 3adn h ALA 41 Ca -0.30 -0.01 -0.32 0.00 0.00 0.00 0.00 54.91 54.27 3adn h ALA 41 Cb 1.21 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.75 3adn h ALA 41 CO 0.44 0.13 -2.21 0.00 0.00 0.00 0.00 179.25 177.61 3adn n ALA 42 N -2.43 1.55 0.99 0.00 0.00 -1.26 -4.67 120.51 114.68 3adn n ALA 42 Ca 0.13 -1.00 0.10 0.00 0.00 0.00 0.00 53.44 52.68 3adn n ALA 42 Cb 0.30 -0.04 -0.04 0.00 0.00 0.00 0.00 19.45 19.67 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 -2.96 0.00 -4.55 0.00 3.72 -1.23 -4.86 117.46 107.59 3adn n PHE 43 Ca -0.35 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.05 3adn n PHE 43 Cb 0.96 -0.06 0.00 0.00 -0.94 0.00 0.00 39.48 39.44 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 1.50 1.06 3.69 1.37 0.00 -0.02 -3.16 105.19 109.63 3adn n GLY 44 Ca 0.04 -0.73 -0.44 0.00 0.00 0.00 0.00 46.02 44.88 3adn n GLY 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3adn n ARG 45 N 6.26 2.29 -3.80 1.61 1.74 -1.26 -1.19 116.66 122.32 3adn n ARG 45 Ca 0.00 0.82 -0.30 0.00 -0.77 0.00 0.00 57.85 57.60 3adn n ARG 45 Cb 0.00 -2.57 -0.14 0.00 -1.02 0.00 0.00 32.46 28.73 3adn n ARG 45 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3adn s VAL 46 N 0.55 1.73 0.08 1.55 1.01 0.24 -2.84 120.40 122.71 3adn s VAL 46 Ca 0.73 -2.62 -0.31 0.00 0.00 0.00 0.00 61.98 59.78 3adn s VAL 46 Cb -0.62 -2.22 -0.07 0.00 0.00 0.00 0.00 36.38 33.47 3adn s VAL 46 CO 0.42 -0.82 1.30 -0.32 0.00 0.00 0.00 175.10 175.67 3adn s MET 47 N 0.36 4.37 -0.07 2.72 1.75 -1.16 -3.53 119.30 123.73 3adn s MET 47 Ca 0.16 1.92 -0.05 0.00 -1.25 0.00 0.00 55.69 56.47 3adn s MET 47 Cb -0.24 -3.33 0.03 0.00 2.84 0.00 0.00 34.83 34.13 3adn s MET 47 CO -0.03 -0.37 0.18 0.00 -0.65 0.00 0.00 175.02 174.15 3adn s ALA 48 N 1.23 -0.42 -0.12 4.11 0.00 -0.33 -0.29 121.76 125.95 3adn s ALA 48 Ca 0.62 0.63 0.02 0.00 0.00 0.00 0.00 51.96 53.23 3adn s ALA 48 Cb -0.33 -0.39 0.01 0.00 0.00 0.00 0.00 23.12 22.42 3adn s ALA 48 CO 0.29 -0.12 -0.19 -1.17 0.00 0.00 0.00 175.76 174.57 3adn s LEU 49 N 0.55 1.93 -1.53 0.00 2.96 -0.76 -1.01 118.68 120.82 3adn s LEU 49 Ca -0.04 -0.51 -0.14 0.00 -0.22 0.00 0.00 54.13 53.22 3adn s LEU 49 Cb -0.05 -1.27 0.09 0.00 0.50 0.00 0.00 46.19 45.46 3adn s LEU 49 CO -0.03 0.06 0.92 0.47 -1.32 0.00 0.00 176.35 176.45 3adn n ASP 50 N 4.05 -4.73 0.00 3.68 8.00 -1.20 -2.00 116.55 124.35 3adn n ASP 50 Ca -0.20 -0.74 0.00 0.00 0.71 0.00 0.00 54.79 54.57 3adn n ASP 50 Cb 0.52 -3.79 0.00 0.00 -0.02 0.00 0.00 41.12 37.83 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 -1.62 3.17 3.62 0.44 0.00 -1.26 -4.84 105.19 104.70 3adn n GLY 51 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 3adn n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3adn s VAL 52 N -2.29 5.14 0.14 1.61 0.11 -0.85 -0.75 120.40 123.51 3adn s VAL 52 Ca 0.00 0.10 -0.34 0.00 -2.93 0.00 0.00 61.98 58.81 3adn s VAL 52 Cb 0.00 -3.39 -0.14 0.00 -1.53 0.00 0.00 36.38 31.32 3adn s VAL 52 CO 0.00 0.35 1.55 0.52 -3.33 0.00 0.00 175.10 174.19 3adn n VAL 53 N 4.35 0.01 -0.11 2.04 0.31 -1.26 -1.83 118.33 121.84 3adn n VAL 53 Ca -0.15 -0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 63.93 3adn n VAL 53 Cb 0.52 -1.45 -0.11 0.00 -0.91 0.00 0.00 33.84 31.89 3adn n VAL 53 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3adn n GLN 54 N 3.38 0.59 -3.82 5.55 1.13 0.61 -4.89 117.38 119.93 3adn n GLN 54 Ca 0.17 0.42 -0.09 0.00 -1.94 0.00 0.00 57.00 55.56 3adn n GLN 54 Cb 0.27 -1.64 0.02 0.00 0.11 0.00 0.00 30.24 29.01 3adn n GLN 54 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 3adn s THR 55 N -2.44 0.00 -0.18 5.09 -4.23 -1.14 -5.04 115.64 107.71 3adn s THR 55 Ca -0.32 -1.04 -0.18 0.00 -1.18 0.00 0.00 61.69 58.97 3adn s THR 55 Cb 0.09 -2.96 0.05 0.00 1.34 0.00 0.00 72.50 71.02 3adn s THR 55 CO 0.57 0.00 0.50 -0.89 -0.54 0.00 0.00 174.62 174.26 3adn s THR 56 N -2.18 0.00 0.25 3.99 2.01 -1.26 -2.96 115.64 115.49 3adn s THR 56 Ca 0.17 -0.02 0.04 0.00 0.31 0.00 0.00 61.69 62.19 3adn s THR 56 Cb -0.05 -0.71 -0.02 0.00 0.01 0.00 0.00 72.50 71.73 3adn s THR 56 CO 0.13 -0.01 1.59 1.05 -0.69 0.00 0.00 174.62 176.68 3adn h GLU 57 N 5.22 0.27 -0.79 4.92 4.11 -1.59 0.21 114.58 126.94 3adn h GLU 57 Ca -0.28 -0.17 -0.15 0.00 0.07 0.00 0.00 59.36 58.83 3adn h GLU 57 Cb 1.17 0.02 -0.09 0.00 0.50 0.00 0.00 28.75 30.35 3adn h GLU 57 CO 0.20 0.75 0.19 -2.13 0.07 0.00 0.00 179.01 178.10 3adn n ARG 58 N -3.92 3.33 0.00 1.06 0.63 -1.19 -4.34 116.66 112.23 3adn n ARG 58 Ca -0.02 -2.47 0.00 0.00 -0.92 0.00 0.00 57.85 54.44 3adn n ARG 58 Cb 0.58 -2.05 0.00 0.00 0.45 0.00 0.00 32.46 31.44 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 0.01 0.00 0.31 6.15 2.03 -1.07 -4.91 116.55 119.06 3adn n ASP 59 Ca 0.32 0.00 0.13 0.00 0.52 0.00 0.00 54.79 55.75 3adn n ASP 59 Cb 1.17 0.00 0.67 0.00 -0.72 0.00 0.00 41.12 42.24 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 -0.61 -0.67 9.09 -0.78 -2.59 114.58 119.02 3adn h GLU 60 Ca 0.00 0.00 -0.05 0.00 0.05 0.00 0.00 59.36 59.36 3adn h GLU 60 Cb 0.00 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.07 3adn h GLU 60 CO 0.00 0.00 0.19 0.27 0.05 0.00 0.00 179.01 179.52 3adn h PHE 61 N 0.00 0.94 0.03 2.06 -0.00 -1.85 0.13 116.94 118.26 3adn h PHE 61 Ca 0.00 -0.08 -0.00 0.00 -0.00 0.00 0.00 57.97 57.89 3adn h PHE 61 Cb 0.77 -0.28 0.00 0.00 -0.00 0.00 0.00 35.95 36.44 3adn h PHE 61 CO 0.00 0.76 -0.01 0.82 -0.00 0.00 0.00 178.31 179.87 3adn h ILE 62 N 0.89 1.10 -0.07 0.88 2.04 -1.87 0.61 117.51 121.09 3adn h ILE 62 Ca 0.20 -0.41 0.01 0.00 1.00 0.00 0.00 64.86 65.67 3adn h ILE 62 Cb 0.26 1.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 3adn h ILE 62 CO -0.01 0.10 -0.02 0.22 0.00 0.00 0.00 178.15 178.44 3adn h TYR 63 N -0.22 -0.05 0.04 1.37 3.20 -1.64 -2.37 116.97 117.30 3adn h TYR 63 Ca -0.00 0.01 -0.24 0.00 3.14 0.00 0.00 58.73 61.63 3adn h TYR 63 Cb 0.20 0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.51 3adn h TYR 63 CO -0.02 -0.04 -1.02 0.45 -1.64 0.00 0.00 178.16 175.89 3adn h HIS 64 N -0.01 0.59 0.62 -3.82 3.86 -0.90 -2.48 115.15 113.01 3adn h HIS 64 Ca 0.03 -0.35 -0.03 0.00 -1.16 0.00 0.00 60.37 58.86 3adn h HIS 64 Cb 0.06 -0.06 0.01 0.00 1.06 0.00 0.00 27.41 28.48 3adn h HIS 64 CO -0.13 1.19 -0.30 0.93 0.86 0.00 0.00 177.93 180.48 3adn h GLU 65 N 0.19 -0.81 -0.28 2.45 5.08 0.23 -2.29 114.58 119.16 3adn h GLU 65 Ca -0.10 0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 3adn h GLU 65 Cb 1.68 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 31.10 3adn h GLU 65 CO 0.18 -0.54 0.14 0.52 -1.00 0.00 0.00 179.01 178.31 3adn h MET 66 N -0.84 0.37 0.00 2.33 2.86 -1.51 -1.10 114.93 117.04 3adn h MET 66 Ca -0.09 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 3adn h MET 66 Cb 0.65 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.23 3adn h MET 66 CO 0.14 0.28 -0.09 1.98 1.06 0.00 0.00 176.91 180.28 3adn h MET 67 N 0.38 0.00 0.00 1.72 1.85 -1.34 -3.30 114.93 114.24 3adn h MET 67 Ca 0.10 0.00 -0.26 0.00 -0.61 0.00 0.00 59.70 58.93 3adn h MET 67 Cb 0.02 0.00 -0.04 0.00 0.43 0.00 0.00 31.60 32.01 3adn h MET 67 CO -0.02 0.00 -1.87 -2.37 -0.40 0.00 0.00 176.91 172.25 3adn n THR 68 N -2.33 0.86 0.16 -0.77 5.66 -0.87 -4.69 114.28 112.30 3adn n THR 68 Ca 0.05 -0.24 0.02 0.00 -3.05 0.00 0.00 64.05 60.83 3adn n THR 68 Cb 0.44 -1.59 0.22 0.00 -1.55 0.00 0.00 70.33 67.86 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 -0.46 0.00 0.66 1.09 -0.00 -1.41 -2.46 115.15 112.56 3adn h HIS 69 Ca -0.39 0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 59.95 3adn h HIS 69 Cb 1.38 0.00 0.01 0.00 -0.00 0.00 0.00 27.41 28.80 3adn h HIS 69 CO -0.04 0.51 -0.32 0.28 -0.00 0.00 0.00 177.93 178.36 3adn h VAL 70 N 0.00 0.33 -0.02 2.45 2.07 -1.75 0.10 116.25 119.43 3adn h VAL 70 Ca -0.01 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.42 3adn h VAL 70 Cb 1.06 0.36 -0.00 0.00 -1.52 0.00 0.00 31.29 31.19 3adn h VAL 70 CO 0.07 0.01 0.01 -0.65 0.02 0.00 0.00 177.57 177.03 3adn h PRO 71 N -0.95 0.02 -0.91 1.57 0.11 -1.83 0.04 132.00 130.05 3adn h PRO 71 Ca -0.09 -0.00 0.05 0.00 0.11 0.00 0.00 66.00 66.07 3adn h PRO 71 Cb 0.70 -0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.75 3adn h PRO 71 CO 0.15 0.08 0.59 -0.07 -0.21 0.00 0.00 178.00 178.54 3adn h LEU 72 N -0.04 0.95 0.00 2.35 4.07 -1.43 0.18 115.31 121.39 3adn h LEU 72 Ca 0.01 -0.00 -0.05 0.00 0.08 0.00 0.00 57.88 57.91 3adn h LEU 72 Cb 0.07 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 41.59 3adn h LEU 72 CO -0.00 0.63 -0.81 -0.07 -1.08 0.00 0.00 178.44 177.11 3adn h LEU 73 N 1.09 0.00 0.09 1.67 4.07 -0.90 -3.35 115.31 117.98 3adn h LEU 73 Ca 0.37 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.33 3adn h LEU 73 Cb 0.10 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.84 3adn h LEU 73 CO -0.13 0.19 -0.04 0.00 -1.08 0.00 0.00 178.44 177.38 3adn h ALA 74 N 1.81 -0.81 -2.05 1.53 0.00 -0.17 -3.36 119.26 116.21 3adn h ALA 74 Ca -0.04 -0.03 -0.58 0.00 0.00 0.00 0.00 54.91 54.27 3adn h ALA 74 Cb 1.18 0.05 0.01 0.00 0.00 0.00 0.00 17.79 19.02 3adn h ALA 74 CO 0.02 -0.81 1.42 1.58 0.00 0.00 0.00 179.25 181.46 3adn n HIS 75 N -2.39 2.10 0.03 0.00 -0.00 0.57 -4.84 115.22 110.70 3adn n HIS 75 Ca -0.01 -0.18 0.03 0.00 -0.00 0.00 0.00 57.72 57.56 3adn n HIS 75 Cb 0.05 -2.74 0.41 0.00 -0.00 0.00 0.00 29.99 27.71 3adn n HIS 75 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.34 177.12 3adn h GLY 76 N 13.70 0.49 -6.34 1.57 0.00 -1.77 -3.38 103.07 107.35 3adn h GLY 76 Ca -0.43 -0.22 -0.59 0.00 0.00 0.00 0.00 47.33 46.10 3adn h GLY 76 CO 0.96 0.21 -0.91 1.42 0.00 0.00 0.00 176.54 178.22 3adn n HIS 77 N -4.42 0.50 -2.92 5.60 -0.00 -1.26 -4.96 115.22 107.76 3adn n HIS 77 Ca 0.02 -3.66 -0.42 0.00 -0.00 0.00 0.00 57.72 53.66 3adn n HIS 77 Cb 0.12 -0.18 -0.05 0.00 -0.00 0.00 0.00 29.99 29.89 3adn n HIS 77 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3adn s ALA 78 N -0.91 3.52 -0.23 -1.41 0.00 -1.26 -4.92 121.76 116.55 3adn s ALA 78 Ca 0.33 -0.41 -0.11 0.00 0.00 0.00 0.00 51.96 51.77 3adn s ALA 78 Cb 0.08 -3.34 -0.17 0.00 0.00 0.00 0.00 23.12 19.69 3adn s ALA 78 CO -0.14 -1.25 -0.07 1.63 0.00 0.00 0.00 175.76 175.93 3adn n LYS 79 N 6.28 0.63 -3.95 0.00 5.02 -1.26 -4.08 118.16 120.79 3adn n LYS 79 Ca 0.04 0.31 -0.34 0.00 -2.02 0.00 0.00 58.31 56.30 3adn n LYS 79 Cb 0.48 -1.60 -0.14 0.00 -0.02 0.00 0.00 35.03 33.75 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 -2.49 3.23 -0.12 2.13 3.76 -1.26 -1.51 115.29 119.02 3adn s HIS 80 Ca -0.33 -1.90 -0.08 0.00 -0.15 0.00 0.00 55.06 52.60 3adn s HIS 80 Cb 0.10 -2.06 -0.04 0.00 1.11 0.00 0.00 32.58 31.68 3adn s HIS 80 CO 0.59 -0.81 0.16 0.08 -0.85 0.00 0.00 174.74 173.92 3adn s VAL 81 N 1.24 5.45 0.04 -0.90 1.01 -0.70 0.55 120.40 127.09 3adn s VAL 81 Ca -0.05 0.27 0.08 0.00 0.00 0.00 0.00 61.98 62.28 3adn s VAL 81 Cb -0.19 -3.44 -0.03 0.00 0.00 0.00 0.00 36.38 32.71 3adn s VAL 81 CO -0.02 0.58 -0.23 -0.22 0.00 0.00 0.00 175.10 175.21 3adn s LEU 82 N -0.76 2.37 -0.20 3.92 1.98 0.13 -1.98 118.68 124.14 3adn s LEU 82 Ca 0.15 -0.52 -0.02 0.00 -2.89 0.00 0.00 54.13 50.84 3adn s LEU 82 Cb -0.12 -1.39 0.06 0.00 0.66 0.00 0.00 46.19 45.40 3adn s LEU 82 CO 0.04 0.26 0.03 -0.63 -1.89 0.00 0.00 176.35 174.15 3adn s ILE 83 N -0.86 0.64 -0.23 6.68 1.01 0.81 -1.10 121.20 128.14 3adn s ILE 83 Ca 0.13 -0.66 -0.22 0.00 0.00 0.00 0.00 60.65 59.90 3adn s ILE 83 Cb -0.10 -1.14 -0.02 0.00 0.01 0.00 0.00 42.46 41.22 3adn s ILE 83 CO 0.04 -0.21 0.71 -0.63 0.00 0.00 0.00 174.94 174.84 3adn s ILE 84 N 1.80 4.94 0.00 2.92 -1.09 -0.12 -1.30 121.20 128.35 3adn s ILE 84 Ca -0.01 1.33 0.00 0.00 -2.23 0.00 0.00 60.65 59.74 3adn s ILE 84 Cb -0.17 -4.01 0.00 0.00 -1.58 0.00 0.00 42.46 36.69 3adn s ILE 84 CO -0.08 0.02 0.00 0.61 -1.23 0.00 0.00 174.94 174.26 3adn n GLY 85 N 3.87 -1.60 1.76 6.18 0.00 -0.64 -3.22 105.19 111.53 3adn n GLY 85 Ca 0.02 -1.32 -0.02 0.00 0.00 0.00 0.00 46.02 44.69 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 0.40 0.22 -0.02 0.00 -1.26 -4.80 105.19 99.74 3adn n GLY 86 Ca 0.00 -0.14 0.08 0.00 0.00 0.00 0.00 46.02 45.96 3adn n GLY 86 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3adn h GLY 87 N -0.12 0.00 2.00 -0.02 0.00 -1.95 -2.61 103.07 100.37 3adn h GLY 87 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.26 3adn h GLY 87 CO 0.06 0.00 0.00 1.29 0.00 0.00 0.00 176.54 177.89 3adn h ASP 88 N 0.00 0.00 -0.16 0.19 2.03 -1.90 -3.39 116.42 113.19 3adn h ASP 88 Ca -0.00 0.00 -0.07 0.00 -0.73 0.00 0.00 57.03 56.23 3adn h ASP 88 Cb 0.54 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 39.01 3adn h ASP 88 CO 0.03 0.00 -0.06 0.61 -1.03 0.00 0.00 179.24 178.79 3adn n GLY 89 N -0.48 0.60 0.15 7.15 0.00 -0.98 -3.39 105.19 108.25 3adn n GLY 89 Ca -0.01 -0.29 0.02 0.00 0.00 0.00 0.00 46.02 45.74 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 0.83 0.45 4.61 0.00 -1.83 -1.57 119.26 121.76 3adn h ALA 90 Ca -0.07 -0.48 -0.02 0.00 0.00 0.00 0.00 54.91 54.34 3adn h ALA 90 Cb 0.44 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3adn h ALA 90 CO 0.10 0.65 -0.22 1.98 0.00 0.00 0.00 179.25 181.77 3adn h MET 91 N 0.00 -0.58 -0.71 0.00 -1.53 -1.88 -2.71 114.93 107.52 3adn h MET 91 Ca -0.01 0.04 0.15 0.00 -3.44 0.00 0.00 59.70 56.44 3adn h MET 91 Cb 1.16 0.13 -0.10 0.00 -0.55 0.00 0.00 31.60 32.24 3adn h MET 91 CO 0.07 -0.32 0.19 1.25 0.14 0.00 0.00 176.91 178.24 3adn h LEU 92 N -0.74 0.06 -0.67 3.39 5.85 -1.87 -0.75 115.31 120.58 3adn h LEU 92 Ca -0.06 0.13 0.14 0.00 0.84 0.00 0.00 57.88 58.93 3adn h LEU 92 Cb 0.53 0.17 -0.12 0.00 0.37 0.00 0.00 40.66 41.60 3adn h LEU 92 CO 0.10 -0.00 -0.12 -0.09 -0.34 0.00 0.00 178.44 177.99 3adn h ARG 93 N 0.30 0.03 -0.03 1.25 2.43 -0.98 -1.12 114.38 116.25 3adn h ARG 93 Ca 0.40 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.52 3adn h ARG 93 Cb 0.65 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 3adn h ARG 93 CO -0.47 0.02 -0.15 0.93 -1.51 0.00 0.00 179.97 178.79 3adn h GLU 94 N 0.03 0.16 -0.77 0.20 4.39 -0.90 -2.95 114.58 114.73 3adn h GLU 94 Ca 0.33 -0.13 0.15 0.00 0.34 0.00 0.00 59.36 60.05 3adn h GLU 94 Cb 0.53 0.02 -0.10 0.00 -0.10 0.00 0.00 28.75 29.10 3adn h GLU 94 CO -0.66 0.77 0.31 0.28 -1.16 0.00 0.00 179.01 178.56 3adn h VAL 95 N -0.41 0.65 -0.77 3.13 2.07 -1.04 0.21 116.25 120.08 3adn h VAL 95 Ca -0.01 -0.15 0.08 0.00 0.82 0.00 0.00 66.70 67.43 3adn h VAL 95 Cb 0.80 0.16 -0.05 0.00 -1.52 0.00 0.00 31.29 30.67 3adn h VAL 95 CO 0.03 0.08 0.51 0.74 0.02 0.00 0.00 177.57 178.95 3adn h THR 96 N 0.45 1.00 0.00 2.57 2.02 -1.24 -0.14 112.91 117.57 3adn h THR 96 Ca 0.43 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 67.34 3adn h THR 96 Cb 0.66 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.22 3adn h THR 96 CO -0.41 0.14 0.00 -1.14 0.37 0.00 0.00 175.52 174.48 3adn n ARG 97 N -4.49 0.01 -3.26 6.66 0.63 0.74 -4.28 116.66 112.67 3adn n ARG 97 Ca 0.12 0.37 -0.44 0.00 -0.92 0.00 0.00 57.85 56.98 3adn n ARG 97 Cb 0.26 -1.50 -0.07 0.00 0.45 0.00 0.00 32.46 31.61 3adn n ARG 97 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 3adn s HIS 98 N -2.77 3.14 0.06 -0.14 3.76 -0.07 -4.98 115.29 114.29 3adn s HIS 98 Ca 0.01 -0.74 -0.20 0.00 -0.15 0.00 0.00 55.06 53.98 3adn s HIS 98 Cb 0.01 -3.40 -0.08 0.00 1.11 0.00 0.00 32.58 30.21 3adn s HIS 98 CO 0.02 -0.94 1.32 0.87 -0.85 0.00 0.00 174.74 175.16 3adn h LYS 99 N 8.90 -0.40 0.00 1.40 1.57 -1.85 -2.55 116.57 123.63 3adn h LYS 99 Ca -0.28 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 3adn h LYS 99 Cb 1.10 0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.50 3adn h LYS 99 CO 0.93 -0.26 0.60 -0.91 -0.57 0.00 0.00 179.45 179.24 3adn h ASN 100 N -0.41 0.00 -2.98 0.86 4.21 -1.94 -3.40 115.58 111.92 3adn h ASN 100 Ca 0.00 0.00 -0.54 0.00 1.21 0.00 0.00 56.30 56.97 3adn h ASN 100 Cb 0.43 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.63 3adn h ASN 100 CO -0.19 0.00 0.76 -0.69 -1.29 0.00 0.00 177.43 176.02 3adn s VAL 101 N -3.93 3.68 -0.07 2.81 1.01 -0.96 -4.68 120.40 118.25 3adn s VAL 101 Ca -0.02 1.13 0.09 0.00 0.00 0.00 0.00 61.98 63.18 3adn s VAL 101 Cb 0.05 -3.73 -0.13 0.00 0.00 0.00 0.00 36.38 32.57 3adn s VAL 101 CO 0.14 0.03 0.10 -1.84 0.00 0.00 0.00 175.10 173.54 3adn n GLU 102 N 4.79 1.72 -5.24 2.72 0.28 -0.57 -5.00 120.64 119.34 3adn n GLU 102 Ca 0.12 -0.03 -0.30 0.00 -0.16 0.00 0.00 57.16 56.78 3adn n GLU 102 Cb 0.44 -1.25 -0.16 0.00 1.43 0.00 0.00 31.44 31.90 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 -3.87 2.94 -0.05 -1.84 0.15 -0.83 -4.70 113.70 105.48 3adn s SER 103 Ca -0.04 -0.46 -0.02 0.00 0.70 0.00 0.00 55.95 56.12 3adn s SER 103 Cb 0.04 -0.45 0.03 0.00 -1.71 0.00 0.00 66.02 63.93 3adn s SER 103 CO 0.41 0.29 0.12 -0.63 1.20 0.00 0.00 173.24 174.63 3adn s ILE 104 N -0.47 -0.04 -0.02 6.45 1.01 -1.20 -1.73 121.20 125.20 3adn s ILE 104 Ca 0.06 0.16 0.01 0.00 0.00 0.00 0.00 60.65 60.88 3adn s ILE 104 Cb -0.11 -0.20 0.01 0.00 0.01 0.00 0.00 42.46 42.17 3adn s ILE 104 CO 0.00 0.06 -0.05 -0.89 0.00 0.00 0.00 174.94 174.07 3adn s THR 105 N 0.98 0.47 -0.32 2.92 2.01 -0.84 -1.95 115.64 118.91 3adn s THR 105 Ca -0.08 -0.18 0.02 0.00 0.31 0.00 0.00 61.69 61.77 3adn s THR 105 Cb -0.10 -0.45 0.10 0.00 0.01 0.00 0.00 72.50 72.06 3adn s THR 105 CO -0.05 0.17 0.05 -0.32 -0.69 0.00 0.00 174.62 173.79 3adn s MET 106 N 0.34 1.26 -0.06 4.92 0.00 -0.69 -0.14 119.30 124.93 3adn s MET 106 Ca -0.04 -1.54 -0.30 0.00 0.00 0.00 0.00 55.69 53.81 3adn s MET 106 Cb -0.08 -2.76 -0.02 0.00 0.00 0.00 0.00 34.83 31.97 3adn s MET 106 CO -0.00 -0.92 0.99 0.08 0.00 0.00 0.00 175.02 175.17 3adn s VAL 107 N 1.17 4.83 -0.01 10.11 1.01 -0.42 -2.16 120.40 134.94 3adn s VAL 107 Ca 0.09 2.05 0.01 0.00 0.00 0.00 0.00 61.98 64.12 3adn s VAL 107 Cb -0.18 -4.31 0.01 0.00 0.00 0.00 0.00 36.38 31.89 3adn s VAL 107 CO -0.13 0.08 -0.01 -0.70 0.00 0.00 0.00 175.10 174.33 3adn s GLU 108 N 1.54 0.18 -0.06 2.72 2.56 -0.43 -1.63 118.70 123.58 3adn s GLU 108 Ca 0.50 -0.03 -0.21 0.00 0.00 0.00 0.00 54.97 55.23 3adn s GLU 108 Cb -0.20 -0.22 -0.30 0.00 2.00 0.00 0.00 34.13 35.41 3adn s GLU 108 CO 0.23 -0.00 0.81 0.97 -0.56 0.00 0.00 175.26 176.70 3adn h ILE 109 N 5.38 1.40 -1.69 -3.70 6.09 -1.83 -2.88 117.51 120.27 3adn h ILE 109 Ca -0.30 -2.50 -0.64 0.00 -1.37 0.00 0.00 64.86 60.05 3adn h ILE 109 Cb 1.18 3.08 -0.13 0.00 0.47 0.00 0.00 36.82 41.42 3adn h ILE 109 CO 0.50 0.71 1.21 -1.81 -3.07 0.00 0.00 178.15 175.69 3adn s ASP 110 N -6.98 6.57 0.64 2.19 1.01 -1.26 -4.82 116.67 114.02 3adn s ASP 110 Ca -0.15 -1.75 0.35 0.00 0.71 0.00 0.00 52.55 51.71 3adn s ASP 110 Cb 0.02 -2.49 1.95 0.00 1.01 0.00 0.00 42.92 43.40 3adn s ASP 110 CO 0.81 -1.30 2.16 0.00 0.21 0.00 0.00 175.17 177.05 3adn h ALA 111 N 9.30 1.36 0.08 5.23 0.00 -1.99 -2.37 119.26 130.87 3adn h ALA 111 Ca 0.19 -0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.78 3adn h ALA 111 Cb 1.01 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 3adn h ALA 111 CO 1.28 -0.19 -1.74 0.78 0.00 0.00 0.00 179.25 179.39 3adn h GLY 112 N 0.00 0.19 2.00 0.00 0.00 -1.98 -3.37 103.07 99.90 3adn h GLY 112 Ca 0.03 -0.48 -0.03 0.00 0.00 0.00 0.00 47.33 46.85 3adn h GLY 112 CO -0.00 0.42 -0.13 -0.24 0.00 0.00 0.00 176.54 176.59 3adn h VAL 113 N 0.04 0.88 0.00 4.60 3.04 -1.83 -1.89 116.25 121.10 3adn h VAL 113 Ca -0.31 -0.47 -0.05 0.00 -1.01 0.00 0.00 66.70 64.85 3adn h VAL 113 Cb 2.02 1.27 -0.01 0.00 -2.01 0.00 0.00 31.29 32.56 3adn h VAL 113 CO 0.11 0.12 -0.26 -0.37 -1.01 0.00 0.00 177.57 176.17 3adn h VAL 114 N 0.00 0.92 0.09 1.51 -1.51 -1.72 -1.21 116.25 114.33 3adn h VAL 114 Ca -0.00 -0.97 -0.37 0.00 -1.23 0.00 0.00 66.70 64.13 3adn h VAL 114 Cb 0.26 1.57 -0.03 0.00 -2.13 0.00 0.00 31.29 30.95 3adn h VAL 114 CO 0.02 0.25 -2.09 -1.54 -1.23 0.00 0.00 177.57 172.98 3adn n SER 115 N -3.85 1.97 -0.08 4.19 3.41 -0.88 -3.01 113.62 115.37 3adn n SER 115 Ca -0.02 0.14 -0.09 0.00 -0.26 0.00 0.00 58.87 58.65 3adn n SER 115 Cb 0.35 -0.67 -0.01 0.00 -0.26 0.00 0.00 64.21 63.61 3adn n SER 115 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 3adn h PHE 116 N 0.05 0.32 0.00 7.33 0.04 -1.30 0.17 116.94 123.56 3adn h PHE 116 Ca -0.45 0.01 -0.05 0.00 2.80 0.00 0.00 57.97 60.28 3adn h PHE 116 Cb 2.01 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 40.05 3adn h PHE 116 CO 0.06 0.19 -0.25 0.00 -0.60 0.00 0.00 178.31 177.72 3adn h ARG 118 N 0.00 0.00 0.01 0.00 2.43 -1.25 -1.38 114.38 114.20 3adn h ARG 118 Ca -0.00 0.00 -0.24 0.00 -0.81 0.00 0.00 59.98 58.93 3adn h ARG 118 Cb 0.66 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.17 3adn h ARG 118 CO 0.03 0.41 -1.31 0.37 -1.51 0.00 0.00 179.97 177.96 3adn h GLN 119 N 0.00 0.02 0.06 0.20 4.15 -0.09 -3.40 115.11 116.04 3adn h GLN 119 Ca -0.00 -0.03 -0.29 0.00 0.77 0.00 0.00 58.65 59.10 3adn h GLN 119 Cb 1.14 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.81 3adn h GLN 119 CO 0.05 1.02 -1.53 1.88 -1.93 0.00 0.00 178.83 178.32 3adn h TYR 120 N -0.92 0.22 -3.15 3.99 0.05 -0.57 -3.39 116.97 113.19 3adn h TYR 120 Ca -0.35 -0.16 -0.70 0.00 0.05 0.00 0.00 58.73 57.57 3adn h TYR 120 Cb 1.36 -0.01 -0.36 0.00 1.01 0.00 0.00 36.73 38.73 3adn h TYR 120 CO 0.10 1.21 -0.09 1.28 -1.05 0.00 0.00 178.16 179.61 3adn n LEU 121 N -3.30 4.30 -0.07 3.88 4.77 -0.52 -4.88 117.00 121.19 3adn n LEU 121 Ca -0.15 -5.18 -0.14 0.00 -0.03 0.00 0.00 56.01 50.52 3adn n LEU 121 Cb 1.03 -1.05 -0.02 0.00 -2.33 0.00 0.00 43.42 41.05 3adn n LEU 121 CO 0.47 1.64 0.46 1.55 -1.33 0.00 0.00 177.39 180.18 3adn h PRO 122 N 5.71 0.82 0.00 3.23 0.13 -1.78 -3.16 132.00 136.96 3adn h PRO 122 Ca 0.17 -0.51 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 3adn h PRO 122 Cb 0.77 0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.96 3adn h PRO 122 CO 0.89 1.14 0.00 -0.91 -0.23 0.00 0.00 178.00 178.89 3adn h ASN 123 N 0.64 0.00 -0.01 1.44 4.21 -1.92 0.15 115.58 120.09 3adn h ASN 123 Ca 0.02 0.00 -0.04 0.00 1.21 0.00 0.00 56.30 57.49 3adn h ASN 123 Cb 1.12 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.33 3adn h ASN 123 CO 0.12 0.00 -0.16 0.45 -1.29 0.00 0.00 177.43 176.54 3adn h HIS 124 N 0.00 0.18 0.38 1.19 3.86 -1.83 -3.34 115.15 115.59 3adn h HIS 124 Ca 0.00 -0.09 -0.02 0.00 -1.16 0.00 0.00 60.37 59.10 3adn h HIS 124 Cb 0.43 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.88 3adn h HIS 124 CO 0.00 0.86 -0.18 -0.97 0.86 0.00 0.00 177.93 178.50 3adn h ASN 125 N -0.54 -0.43 -4.08 2.45 -0.00 -1.52 -3.21 115.58 108.25 3adn h ASN 125 Ca -0.02 -0.13 -0.41 0.00 -0.00 0.00 0.00 56.30 55.75 3adn h ASN 125 Cb 0.90 0.11 0.04 0.00 -0.00 0.00 0.00 38.32 39.37 3adn h ASN 125 CO 0.03 -0.08 -0.59 0.00 -0.00 0.00 0.00 177.43 176.80 3adn n ALA 126 N -2.50 -0.88 -2.80 1.57 0.00 0.52 -1.85 120.51 114.57 3adn n ALA 126 Ca -0.10 0.26 -0.15 0.00 0.00 0.00 0.00 53.44 53.45 3adn n ALA 126 Cb 0.28 -3.49 0.03 0.00 0.00 0.00 0.00 19.45 16.27 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 -1.41 -0.09 0.07 0.00 0.00 -1.26 -4.91 105.19 97.59 3adn n GLY 127 Ca -0.15 -0.18 -0.08 0.00 0.00 0.00 0.00 46.02 45.62 3adn n GLY 127 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3adn h SER 128 N -0.99 0.01 0.61 1.61 0.87 -1.73 -3.28 113.55 110.66 3adn h SER 128 Ca -0.35 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.19 3adn h SER 128 Cb 1.24 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 3adn h SER 128 CO 0.37 1.01 0.00 1.88 -0.53 0.00 0.00 176.83 179.56 3adn h TYR 129 N 0.00 0.00 0.00 2.24 0.05 -1.91 -2.13 116.97 115.22 3adn h TYR 129 Ca -0.13 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.65 3adn h TYR 129 Cb 1.88 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.62 3adn h TYR 129 CO 0.00 0.00 0.00 -0.25 -1.05 0.00 0.00 178.16 176.86 3adn n ASP 130 N -2.71 0.44 -4.73 3.88 8.00 -1.24 -4.83 116.55 115.37 3adn n ASP 130 Ca 0.00 0.56 -0.42 0.00 0.71 0.00 0.00 54.79 55.64 3adn n ASP 130 Cb 0.20 -0.67 -0.03 0.00 -0.02 0.00 0.00 41.12 40.61 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 -3.82 6.53 0.46 -2.24 2.15 -0.80 -4.91 116.67 114.03 3adn s ASP 131 Ca 0.10 2.73 0.21 0.00 0.43 0.00 0.00 52.55 56.02 3adn s ASP 131 Cb 0.14 -2.61 1.11 0.00 -0.30 0.00 0.00 42.92 41.26 3adn s ASP 131 CO 0.51 -0.84 1.96 1.55 -0.17 0.00 0.00 175.17 178.18 3adn h PRO 132 N 6.07 0.00 -0.01 4.34 0.13 -1.90 -3.01 132.00 137.61 3adn h PRO 132 Ca -0.44 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.57 3adn h PRO 132 Cb 1.21 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 3adn h PRO 132 CO 0.87 0.22 -0.53 0.00 -0.23 0.00 0.00 178.00 178.33 3adn h ARG 133 N 0.00 0.04 -7.13 0.86 3.08 -1.91 -3.46 114.38 105.86 3adn h ARG 133 Ca -0.00 -0.02 -0.54 0.00 0.07 0.00 0.00 59.98 59.48 3adn h ARG 133 Cb 0.47 0.00 0.15 0.00 0.08 0.00 0.00 29.97 30.67 3adn h ARG 133 CO 0.03 0.56 0.47 0.12 -1.07 0.00 0.00 179.97 180.08 3adn s PHE 134 N -3.83 2.15 -0.19 3.04 5.36 -1.14 -3.23 117.98 120.14 3adn s PHE 134 Ca -0.02 1.52 -0.08 0.00 -0.96 0.00 0.00 56.93 57.39 3adn s PHE 134 Cb 0.13 -3.58 0.07 0.00 -0.34 0.00 0.00 43.02 39.31 3adn s PHE 134 CO 0.76 -2.66 0.43 0.21 -1.46 0.00 0.00 175.22 172.49 3adn s LYS 135 N -3.52 0.37 -0.17 10.12 2.20 -0.82 -4.94 119.74 122.98 3adn s LYS 135 Ca 0.79 0.91 -0.08 0.00 -0.36 0.00 0.00 55.97 57.23 3adn s LYS 135 Cb -0.33 0.14 -0.04 0.00 -1.51 0.00 0.00 37.83 36.08 3adn s LYS 135 CO 0.39 -0.20 0.12 -1.17 -0.36 0.00 0.00 175.35 174.13 3adn s LEU 136 N 1.93 4.17 -0.02 5.43 2.96 -1.26 -1.71 118.68 130.18 3adn s LEU 136 Ca -0.06 0.27 0.05 0.00 -0.22 0.00 0.00 54.13 54.17 3adn s LEU 136 Cb -0.10 -2.05 -0.01 0.00 0.50 0.00 0.00 46.19 44.53 3adn s LEU 136 CO -0.13 0.25 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.28 3adn s VAL 137 N -0.09 1.43 -0.33 1.68 1.01 -0.92 -4.95 120.40 118.24 3adn s VAL 137 Ca 0.09 -0.76 0.04 0.00 0.00 0.00 0.00 61.98 61.35 3adn s VAL 137 Cb -0.12 -1.20 0.09 0.00 0.00 0.00 0.00 36.38 35.15 3adn s VAL 137 CO 0.00 0.41 0.03 -0.63 0.00 0.00 0.00 175.10 174.91 3adn s ILE 138 N -0.29 2.22 0.37 2.22 1.09 -1.26 -1.32 121.20 124.23 3adn s ILE 138 Ca 0.04 -2.20 -0.10 0.00 -1.10 0.00 0.00 60.65 57.28 3adn s ILE 138 Cb -0.08 -2.59 0.04 0.00 -1.06 0.00 0.00 42.46 38.76 3adn s ILE 138 CO 0.00 -0.51 0.67 -0.62 -0.10 0.00 0.00 174.94 174.38 3adn s ASP 139 N 0.95 0.39 0.04 3.58 2.15 -1.09 -4.96 116.67 117.73 3adn s ASP 139 Ca 0.08 -1.29 -0.08 0.00 0.43 0.00 0.00 52.55 51.68 3adn s ASP 139 Cb -0.19 0.78 -0.02 0.00 -0.30 0.00 0.00 42.92 43.19 3adn s ASP 139 CO -0.08 -1.55 1.14 -0.78 -0.17 0.00 0.00 175.17 173.73 3adn h ASP 140 N 2.04 -0.53 0.00 -0.34 3.58 -1.94 -3.33 116.42 115.89 3adn h ASP 140 Ca -0.31 0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.22 3adn h ASP 140 Cb 1.25 0.23 0.00 0.00 1.72 0.00 0.00 39.33 42.53 3adn h ASP 140 CO 0.40 -0.06 0.00 0.61 -2.88 0.00 0.00 179.24 177.31 3adn n GLY 141 N -1.07 1.01 1.47 -0.78 0.00 -1.26 -4.67 105.19 99.89 3adn n GLY 141 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 3adn n GLY 141 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3adn n VAL 142 N 0.00 1.88 -2.69 1.61 0.24 -1.26 -5.05 118.33 113.06 3adn n VAL 142 Ca 0.00 -1.00 0.00 0.00 -2.04 0.00 0.00 64.34 61.30 3adn n VAL 142 Cb 0.00 -0.23 0.00 0.00 -1.47 0.00 0.00 33.84 32.14 3adn n VAL 142 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 3adn n ASN 143 N 0.56 0.00 -0.29 -1.34 0.23 -1.26 -4.79 115.26 108.37 3adn n ASN 143 Ca 0.21 0.00 0.10 0.00 -0.53 0.00 0.00 54.58 54.35 3adn n ASN 143 Cb 0.89 0.00 0.26 0.00 -2.08 0.00 0.00 39.78 38.85 3adn n ASN 143 CO 0.00 0.00 0.00 -0.61 -0.93 0.00 0.00 177.26 175.72 3adn h GLN 147 N 0.00 0.44 0.00 -3.83 4.15 -2.03 -3.49 115.11 110.34 3adn h GLN 147 Ca 0.00 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.39 3adn h GLN 147 Cb 0.00 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 27.59 3adn h GLN 147 CO 0.00 0.29 0.00 0.25 -1.93 0.00 0.00 178.83 177.44 3adn n THR 148 N -5.01 0.00 -3.08 2.39 -2.24 -1.26 -4.44 114.28 100.64 3adn n THR 148 Ca 0.19 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.74 3adn n THR 148 Cb 0.54 0.00 0.03 0.00 -2.10 0.00 0.00 70.33 68.80 3adn n THR 148 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3adn n SER 149 N 0.00 -5.63 -0.02 3.42 2.88 -1.26 -4.89 113.62 108.12 3adn n SER 149 Ca 0.00 -0.30 -0.13 0.00 -1.33 0.00 0.00 58.87 57.11 3adn n SER 149 Cb 0.00 -4.57 -0.14 0.00 -0.75 0.00 0.00 64.21 58.75 3adn n SER 149 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 3adn n GLN 150 N -3.96 0.67 -1.56 -1.46 7.27 -1.26 -5.09 117.38 111.99 3adn n GLN 150 Ca -0.10 0.28 0.00 0.00 0.07 0.00 0.00 57.00 57.25 3adn n GLN 150 Cb 0.61 -1.76 0.00 0.00 2.41 0.00 0.00 30.24 31.50 3adn n GLN 150 CO 0.00 0.00 0.00 2.41 0.07 0.00 0.00 177.06 179.54 3adn n THR 151 N -3.18 -8.19 -4.44 1.69 -1.04 -1.26 -5.08 114.28 92.79 3adn n THR 151 Ca -0.22 2.35 -0.21 0.00 -2.04 0.00 0.00 64.05 63.92 3adn n THR 151 Cb 1.05 -3.92 -0.10 0.00 -1.82 0.00 0.00 70.33 65.54 3adn n THR 151 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 3adn s PHE 152 N -0.96 1.89 -0.19 -1.42 0.08 -0.75 -4.92 117.98 111.71 3adn s PHE 152 Ca 0.00 -1.02 0.15 0.00 0.12 0.00 0.00 56.93 56.19 3adn s PHE 152 Cb 0.00 -1.22 -0.22 0.00 -0.57 0.00 0.00 43.02 41.01 3adn s PHE 152 CO 0.00 -0.07 0.04 -0.25 -0.10 0.00 0.00 175.22 174.84 3adn n ASP 153 N -0.70 0.56 -3.73 1.36 8.00 0.19 -0.54 116.55 121.68 3adn n ASP 153 Ca -0.02 -0.01 -0.17 0.00 0.71 0.00 0.00 54.79 55.30 3adn n ASP 153 Cb 0.66 0.84 -0.17 0.00 -0.02 0.00 0.00 41.12 42.44 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 -2.45 -0.08 -0.10 2.53 1.01 -1.17 -1.11 120.40 119.03 3adn s VAL 154 Ca -0.11 0.30 -0.00 0.00 0.00 0.00 0.00 61.98 62.16 3adn s VAL 154 Cb 0.06 -0.11 -0.03 0.00 0.00 0.00 0.00 36.38 36.30 3adn s VAL 154 CO 0.74 0.12 -0.08 -0.63 0.00 0.00 0.00 175.10 175.26 3adn s ILE 155 N 1.49 3.57 -0.27 2.22 1.01 -0.39 -0.70 121.20 128.13 3adn s ILE 155 Ca -0.04 -0.50 0.02 0.00 0.00 0.00 0.00 60.65 60.13 3adn s ILE 155 Cb -0.13 -2.49 0.07 0.00 0.01 0.00 0.00 42.46 39.92 3adn s ILE 155 CO -0.03 0.55 -0.03 -0.63 0.00 0.00 0.00 174.94 174.80 3adn s ILE 156 N -0.25 1.75 0.45 2.92 1.01 -0.26 -1.96 121.20 124.86 3adn s ILE 156 Ca 0.03 -1.55 0.07 0.00 0.00 0.00 0.00 60.65 59.20 3adn s ILE 156 Cb -0.13 -2.06 -0.01 0.00 0.01 0.00 0.00 42.46 40.27 3adn s ILE 156 CO 0.03 -0.24 0.36 -0.55 0.00 0.00 0.00 174.94 174.53 3adn s SER 157 N 1.26 4.84 -0.02 3.58 0.15 -0.85 -0.95 113.70 121.71 3adn s SER 157 Ca -0.02 -0.92 0.02 0.00 0.70 0.00 0.00 55.95 55.74 3adn s SER 157 Cb -0.19 -0.31 0.04 0.00 -1.71 0.00 0.00 66.02 63.84 3adn s SER 157 CO -0.08 -0.75 0.97 0.47 1.20 0.00 0.00 173.24 175.05 3adn n ASP 158 N -1.56 1.83 -0.85 5.45 8.00 -1.20 -3.04 116.55 125.20 3adn n ASP 158 Ca 0.02 -2.04 0.08 0.00 0.71 0.00 0.00 54.79 53.56 3adn n ASP 158 Cb 0.63 -0.06 -0.03 0.00 -0.02 0.00 0.00 41.12 41.64 3adn n ASP 158 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3adn n PHE 170 N -2.78 0.00 -4.42 0.00 7.35 -1.26 -5.06 117.46 111.29 3adn n PHE 170 Ca -0.01 0.00 -0.22 0.00 -0.76 0.00 0.00 57.45 56.46 3adn n PHE 170 Cb 0.58 0.00 -0.09 0.00 0.35 0.00 0.00 39.48 40.32 3adn n PHE 170 CO 0.00 0.00 0.00 -0.08 -0.76 0.00 0.00 176.76 175.92 3adn s THR 171 N 0.00 0.52 0.10 -2.13 -1.32 -1.26 -4.98 115.64 106.57 3adn s THR 171 Ca 0.00 -2.00 -0.35 0.00 -1.21 0.00 0.00 61.69 58.13 3adn s THR 171 Cb 0.00 -2.48 -0.15 0.00 -1.51 0.00 0.00 72.50 68.36 3adn s THR 171 CO 0.00 0.00 1.56 0.28 -2.21 0.00 0.00 174.62 174.25 3adn h SER 172 N 2.03 -1.50 -0.34 8.08 0.02 -2.00 -3.01 113.55 116.83 3adn h SER 172 Ca -0.35 0.15 0.04 0.00 -0.84 0.00 0.00 61.79 60.79 3adn h SER 172 Cb 1.26 0.53 -0.06 0.00 0.14 0.00 0.00 62.40 64.27 3adn h SER 172 CO 0.55 -0.60 -0.39 0.00 -1.14 0.00 0.00 176.83 175.25 3adn h ALA 173 N -0.63 -0.61 -0.95 3.77 0.00 -1.99 -0.29 119.26 118.57 3adn h ALA 173 Ca -0.02 0.01 0.22 0.00 0.00 0.00 0.00 54.91 55.12 3adn h ALA 173 Cb 0.80 1.04 -0.12 0.00 0.00 0.00 0.00 17.79 19.51 3adn h ALA 173 CO -0.20 -0.81 0.50 0.35 0.00 0.00 0.00 179.25 179.09 3adn h PHE 174 N -0.24 0.85 -0.09 0.00 3.57 -1.89 -0.30 116.94 118.84 3adn h PHE 174 Ca 0.06 0.04 -0.22 0.00 3.53 0.00 0.00 57.97 61.37 3adn h PHE 174 Cb 0.40 -0.23 0.01 0.00 2.79 0.00 0.00 35.95 38.92 3adn h PHE 174 CO -0.73 0.04 -0.84 1.88 -2.23 0.00 0.00 178.31 176.43 3adn h TYR 175 N 0.52 0.88 -0.65 0.41 0.05 -1.26 -1.53 116.97 115.39 3adn h TYR 175 Ca 0.59 -0.41 0.04 0.00 0.05 0.00 0.00 58.73 59.00 3adn h TYR 175 Cb 1.09 -0.12 -0.04 0.00 1.01 0.00 0.00 36.73 38.67 3adn h TYR 175 CO -0.07 1.23 0.43 1.49 -1.05 0.00 0.00 178.16 180.19 3adn h GLU 176 N 0.41 0.71 0.00 4.88 4.81 0.55 -1.28 114.58 124.66 3adn h GLU 176 Ca -0.06 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.12 3adn h GLU 176 Cb 1.46 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.68 3adn h GLU 176 CO 0.16 0.47 -0.00 0.78 -0.73 0.00 0.00 179.01 179.69 3adn h GLY 177 N 0.73 -0.00 0.75 1.92 0.00 -1.02 -1.64 103.07 103.81 3adn h GLY 177 Ca 0.27 0.00 0.16 0.00 0.00 0.00 0.00 47.33 47.76 3adn h GLY 177 CO -0.08 -0.00 0.47 0.00 0.00 0.00 0.00 176.54 176.93 3adn h LYS 179 N 0.00 0.21 -0.94 0.00 3.64 -1.15 -3.30 116.57 115.03 3adn h LYS 179 Ca 0.27 -0.37 0.14 0.00 -1.27 0.00 0.00 60.65 59.42 3adn h LYS 179 Cb 1.20 0.14 -0.08 0.00 -0.41 0.00 0.00 32.23 33.08 3adn h LYS 179 CO -0.00 1.18 0.60 -0.09 -2.27 0.00 0.00 179.45 178.86 3adn h ARG 180 N -0.50 0.79 -1.11 1.90 1.12 -0.08 -1.43 114.38 115.07 3adn h ARG 180 Ca -0.18 -0.05 -0.67 0.00 -1.11 0.00 0.00 59.98 57.97 3adn h ARG 180 Cb 1.55 -0.18 -0.31 0.00 -0.01 0.00 0.00 29.97 31.03 3adn h ARG 180 CO 0.08 0.52 0.67 0.00 -3.11 0.00 0.00 179.97 178.13 3adn s LEU 182 N -3.83 2.10 0.99 0.00 2.96 -0.54 -1.81 118.68 118.55 3adn s LEU 182 Ca 0.61 -0.38 -0.12 0.00 -0.22 0.00 0.00 54.13 54.03 3adn s LEU 182 Cb 0.49 -0.76 0.19 0.00 0.50 0.00 0.00 46.19 46.61 3adn s LEU 182 CO -0.06 0.13 1.08 0.20 -1.32 0.00 0.00 176.35 176.38 3adn s ASN 183 N -0.77 2.51 0.58 3.68 -0.87 0.29 -4.85 114.94 115.52 3adn s ASN 183 Ca 0.05 1.61 0.28 0.00 -1.57 0.00 0.00 52.86 53.22 3adn s ASN 183 Cb -0.07 -2.26 1.56 0.00 -0.02 0.00 0.00 41.25 40.45 3adn s ASN 183 CO 0.00 -3.26 2.02 -0.65 -2.57 0.00 0.00 177.10 172.65 3adn h PRO 184 N -1.98 0.00 0.00 -0.60 0.11 -1.97 -2.55 132.00 125.01 3adn h PRO 184 Ca -0.52 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.55 3adn h PRO 184 Cb 1.30 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.34 3adn h PRO 184 CO 0.51 0.00 -0.48 0.41 -0.21 0.00 0.00 178.00 178.23 3adn n GLY 185 N -1.47 3.81 3.80 -0.55 0.00 -1.26 -4.71 105.19 104.80 3adn n GLY 185 Ca 0.05 -1.04 -0.32 0.00 0.00 0.00 0.00 46.02 44.71 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 -2.68 1.80 0.12 -0.02 0.00 -0.96 -4.83 107.32 100.76 3adn s GLY 186 Ca 0.32 0.23 0.10 0.00 0.00 0.00 0.00 44.72 45.37 3adn s GLY 186 CO -0.06 0.56 -0.24 -0.42 0.00 0.00 0.00 173.10 172.94 3adn s ILE 187 N -2.83 2.42 -0.10 0.90 1.01 -0.27 -4.24 121.20 118.09 3adn s ILE 187 Ca 0.61 -1.67 0.01 0.00 0.00 0.00 0.00 60.65 59.60 3adn s ILE 187 Cb -0.16 -2.08 0.02 0.00 0.01 0.00 0.00 42.46 40.25 3adn s ILE 187 CO 0.50 0.11 -0.11 0.12 0.00 0.00 0.00 174.94 175.56 3adn s PHE 188 N -1.07 1.61 0.18 3.97 5.36 0.57 -1.27 117.98 127.34 3adn s PHE 188 Ca 0.15 -0.74 0.08 0.00 -0.96 0.00 0.00 56.93 55.46 3adn s PHE 188 Cb -0.10 -1.23 -0.04 0.00 -0.34 0.00 0.00 43.02 41.30 3adn s PHE 188 CO 0.07 -0.43 -0.16 0.14 -1.46 0.00 0.00 175.22 173.38 3adn s VAL 189 N 1.20 1.74 -0.02 3.12 -7.23 -0.83 -0.59 120.40 117.79 3adn s VAL 189 Ca -0.04 -2.06 -0.28 0.00 -1.81 0.00 0.00 61.98 57.79 3adn s VAL 189 Cb -0.14 -1.92 0.06 0.00 0.56 0.00 0.00 36.38 34.94 3adn s VAL 189 CO -0.03 -0.47 0.63 0.00 -0.31 0.00 0.00 175.10 174.91 3adn s ALA 190 N -2.55 -1.63 -0.07 1.32 0.00 -1.11 -2.01 121.76 115.72 3adn s ALA 190 Ca 0.19 1.09 -0.30 0.00 0.00 0.00 0.00 51.96 52.94 3adn s ALA 190 Cb -0.03 0.13 -0.02 0.00 0.00 0.00 0.00 23.12 23.20 3adn s ALA 190 CO 0.07 -0.41 1.11 -1.14 0.00 0.00 0.00 175.76 175.38 3adn s GLN 191 N -1.58 4.39 -0.23 0.00 -0.44 -1.17 -0.22 119.66 120.42 3adn s GLN 191 Ca -0.09 1.54 0.10 0.00 -2.50 0.00 0.00 55.36 54.41 3adn s GLN 191 Cb -0.01 -3.54 0.43 0.00 -1.64 0.00 0.00 33.01 28.25 3adn s GLN 191 CO 0.06 -0.37 1.22 -1.71 0.50 0.00 0.00 175.29 174.99 3adn n ASN 192 N 5.01 2.32 -0.69 6.67 4.05 0.96 -4.57 115.26 129.02 3adn n ASN 192 Ca 0.10 -3.88 0.09 0.00 0.45 0.00 0.00 54.58 51.34 3adn n ASN 192 Cb 0.47 -0.50 -0.03 0.00 1.23 0.00 0.00 39.78 40.96 3adn n ASN 192 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3adn n GLY 193 N -1.04 -2.30 3.67 8.20 0.00 -1.24 -4.58 105.19 107.90 3adn n GLY 193 Ca 0.24 -1.31 -0.43 0.00 0.00 0.00 0.00 46.02 44.52 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 -2.62 4.73 -0.40 1.61 0.11 -1.26 0.41 120.40 122.97 3adn s VAL 194 Ca 0.00 2.00 -0.16 0.00 -2.93 0.00 0.00 61.98 60.89 3adn s VAL 194 Cb 0.00 -4.30 0.01 0.00 -1.53 0.00 0.00 36.38 30.56 3adn s VAL 194 CO 0.00 -0.10 0.39 0.00 -3.33 0.00 0.00 175.10 172.05 3adn n PHE 196 N 5.45 -0.09 0.66 0.00 7.35 -1.26 -4.66 117.46 124.91 3adn n PHE 196 Ca -0.09 0.00 0.11 0.00 -0.76 0.00 0.00 57.45 56.72 3adn n PHE 196 Cb 0.48 0.02 0.01 0.00 0.35 0.00 0.00 39.48 40.34 3adn n PHE 196 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 3adn n LEU 197 N -0.97 0.64 -3.53 -2.13 4.77 -1.26 -4.94 117.00 109.58 3adn n LEU 197 Ca 0.00 -0.10 -0.17 0.00 -0.03 0.00 0.00 56.01 55.71 3adn n LEU 197 Cb 0.00 -0.09 -0.06 0.00 -2.33 0.00 0.00 43.42 40.94 3adn n LEU 197 CO 0.00 0.09 0.47 -1.58 -1.33 0.00 0.00 177.39 175.03 3adn s GLN 198 N -3.16 1.01 0.00 3.23 -0.44 -1.26 -5.04 119.66 114.00 3adn s GLN 198 Ca 0.05 0.27 0.00 0.00 -2.50 0.00 0.00 55.36 53.18 3adn s GLN 198 Cb 0.15 0.48 0.00 0.00 -1.64 0.00 0.00 33.01 32.00 3adn s GLN 198 CO 0.81 -0.31 0.37 1.04 0.50 0.00 0.00 175.29 177.69 3adn n GLN 199 N 0.95 0.00 0.10 1.67 3.00 -1.26 -4.52 117.38 117.31 3adn n GLN 199 Ca -0.18 -0.37 0.03 0.00 -0.01 0.00 0.00 57.00 56.48 3adn n GLN 199 Cb 0.57 -0.46 0.42 0.00 0.00 0.00 0.00 30.24 30.78 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 0.30 -0.65 -1.09 3.07 -1.98 -2.30 114.58 111.93 3adn h GLU 200 Ca 0.00 -0.05 -0.05 0.00 -0.50 0.00 0.00 59.36 58.77 3adn h GLU 200 Cb 0.90 -0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 28.73 3adn h GLU 200 CO 0.00 0.34 0.23 0.93 -1.40 0.00 0.00 179.01 179.10 3adn h GLU 201 N 0.29 0.99 -0.54 2.33 5.08 -1.94 0.11 114.58 120.91 3adn h GLU 201 Ca 0.07 -0.20 -0.05 0.00 -1.00 0.00 0.00 59.36 58.18 3adn h GLU 201 Cb 0.22 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 3adn h GLU 201 CO 0.01 0.85 0.12 0.00 -1.00 0.00 0.00 179.01 178.99 3adn h ALA 202 N 1.09 0.71 -0.36 3.43 0.00 -1.73 0.39 119.26 122.78 3adn h ALA 202 Ca 0.21 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3adn h ALA 202 Cb 0.26 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3adn h ALA 202 CO -0.01 0.41 0.23 0.82 0.00 0.00 0.00 179.25 180.70 3adn h ILE 203 N 0.76 1.11 -0.25 0.00 2.04 -1.02 0.13 117.51 120.27 3adn h ILE 203 Ca 0.17 -0.22 -0.02 0.00 1.00 0.00 0.00 64.86 65.79 3adn h ILE 203 Cb 0.35 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 3adn h ILE 203 CO 0.00 0.10 0.10 -0.78 0.00 0.00 0.00 178.15 177.57 3adn h ASP 204 N 0.48 0.35 -0.28 1.72 3.58 -0.57 -0.95 116.42 120.76 3adn h ASP 204 Ca 0.13 -0.17 0.00 0.00 0.42 0.00 0.00 57.03 57.41 3adn h ASP 204 Cb -0.03 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 40.92 3adn h ASP 204 CO -0.03 0.43 0.18 0.28 -2.88 0.00 0.00 179.24 177.22 3adn h SER 205 N 0.25 0.33 -0.52 2.28 0.02 -0.71 -1.36 113.55 113.84 3adn h SER 205 Ca 0.08 -0.03 0.04 0.00 -0.84 0.00 0.00 61.79 61.04 3adn h SER 205 Cb 0.19 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 62.61 3adn h SER 205 CO -0.01 0.25 0.29 -0.74 -1.14 0.00 0.00 176.83 175.49 3adn h HIS 206 N 0.37 0.54 -0.62 3.45 -0.00 -0.60 1.00 115.15 119.28 3adn h HIS 206 Ca 0.10 0.02 0.01 0.00 -0.00 0.00 0.00 60.37 60.50 3adn h HIS 206 Cb -0.02 -0.16 -0.03 0.00 -0.00 0.00 0.00 27.41 27.20 3adn h HIS 206 CO -0.05 0.28 0.41 -0.09 -0.00 0.00 0.00 177.93 178.48 3adn h ARG 207 N 0.57 0.81 0.32 5.26 2.43 -0.83 -1.26 114.38 121.68 3adn h ARG 207 Ca 0.22 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.33 3adn h ARG 207 Cb 0.09 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.46 3adn h ARG 207 CO -0.13 0.54 -0.15 0.87 -1.51 0.00 0.00 179.97 179.59 3adn h LYS 208 N 0.84 -0.41 -0.92 0.20 1.57 -0.76 -3.28 116.57 113.80 3adn h LYS 208 Ca 0.23 0.03 0.26 0.00 -1.87 0.00 0.00 60.65 59.30 3adn h LYS 208 Cb -0.09 0.09 -0.16 0.00 0.08 0.00 0.00 32.23 32.15 3adn h LYS 208 CO -0.05 -0.28 0.21 -0.07 -0.57 0.00 0.00 179.45 178.69 3adn h LEU 209 N -0.61 -0.10 -2.41 2.94 4.07 -0.85 0.54 115.31 118.88 3adn h LEU 209 Ca -0.04 0.23 0.01 0.00 0.08 0.00 0.00 57.88 58.15 3adn h LEU 209 Cb 0.33 0.33 -0.00 0.00 1.08 0.00 0.00 40.66 42.40 3adn h LEU 209 CO 0.07 -0.24 0.19 0.28 -1.08 0.00 0.00 178.44 177.66 3adn h SER 210 N 0.13 0.00 1.31 -0.43 0.02 -1.28 0.54 113.55 113.83 3adn h SER 210 Ca 0.60 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 61.47 3adn h SER 210 Cb 1.27 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.80 3adn h SER 210 CO -0.74 0.00 -0.36 -0.74 -1.14 0.00 0.00 176.83 173.85 3adn h HIS 211 N 0.00 0.00 -0.01 3.45 -0.00 0.02 -3.30 115.15 115.31 3adn h HIS 211 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.38 3adn h HIS 211 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.81 3adn h HIS 211 CO 0.00 0.36 -0.09 0.66 -0.00 0.00 0.00 177.93 178.86 3adn n TYR 212 N -3.29 0.00 -3.98 5.26 4.01 0.01 -5.02 117.16 114.15 3adn n TYR 212 Ca 0.01 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.65 3adn n TYR 212 Cb 0.60 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.51 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 -0.89 0.27 -1.41 -0.72 0.08 -0.21 -4.94 117.98 110.17 3adn s PHE 213 Ca 0.06 -0.37 0.27 0.00 0.12 0.00 0.00 56.93 57.02 3adn s PHE 213 Cb 0.05 -0.18 0.96 0.00 -0.57 0.00 0.00 43.02 43.28 3adn s PHE 213 CO 0.14 -0.12 1.70 -1.13 -0.10 0.00 0.00 175.22 175.72 3adn n SER 214 N 2.02 0.51 -3.59 1.36 3.41 -1.18 -4.46 113.62 111.69 3adn n SER 214 Ca -0.20 -0.39 -0.26 0.00 -0.26 0.00 0.00 58.87 57.76 3adn n SER 214 Cb 0.56 -0.02 -0.16 0.00 -0.26 0.00 0.00 64.21 64.33 3adn n SER 214 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3adn s ASP 215 N -2.69 2.42 -0.05 4.04 2.15 -0.40 -4.91 116.67 117.22 3adn s ASP 215 Ca 0.21 -0.67 0.02 0.00 0.43 0.00 0.00 52.55 52.55 3adn s ASP 215 Cb 0.19 -0.20 0.01 0.00 -0.30 0.00 0.00 42.92 42.62 3adn s ASP 215 CO 0.55 -0.36 -0.11 -0.69 -0.17 0.00 0.00 175.17 174.39 3adn s VAL 216 N 2.15 1.01 0.00 1.11 1.01 -1.26 -1.24 120.40 123.18 3adn s VAL 216 Ca 0.03 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 61.58 3adn s VAL 216 Cb -0.16 -0.92 0.00 0.00 0.00 0.00 0.00 36.38 35.30 3adn s VAL 216 CO -0.13 0.32 0.00 0.61 0.00 0.00 0.00 175.10 175.90 3adn n GLY 217 N 3.66 3.24 3.23 4.51 0.00 0.38 -5.00 105.19 115.22 3adn n GLY 217 Ca -0.22 -0.83 -0.13 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.80 -0.15 0.48 1.61 0.08 -1.26 -0.31 117.98 115.63 3adn s PHE 218 Ca 0.00 0.18 0.02 0.00 0.12 0.00 0.00 56.93 57.25 3adn s PHE 218 Cb 0.00 0.09 -0.02 0.00 -0.57 0.00 0.00 43.02 42.52 3adn s PHE 218 CO 0.00 -0.41 0.04 1.52 -0.10 0.00 0.00 175.22 176.27 3adn s TYR 219 N -1.58 1.85 0.11 0.36 1.13 -0.40 -4.74 117.35 114.09 3adn s TYR 219 Ca -0.12 -1.05 -0.14 0.00 -1.41 0.00 0.00 57.07 54.36 3adn s TYR 219 Cb -0.04 -1.49 0.02 0.00 -1.10 0.00 0.00 41.96 39.35 3adn s TYR 219 CO 0.03 0.08 0.33 -1.14 -2.51 0.00 0.00 175.55 172.34 3adn s GLN 220 N -3.83 0.99 -0.01 -3.49 -0.44 0.26 -1.30 119.66 111.84 3adn s GLN 220 Ca 0.11 -0.79 -0.30 0.00 -2.50 0.00 0.00 55.36 51.89 3adn s GLN 220 Cb 0.02 0.43 0.07 0.00 -1.64 0.00 0.00 33.01 31.88 3adn s GLN 220 CO 0.06 -0.36 0.67 0.00 0.50 0.00 0.00 175.29 176.16 3adn s ALA 221 N -3.79 -1.74 -0.35 1.58 0.00 -1.10 -4.61 121.76 111.75 3adn s ALA 221 Ca 0.03 1.17 -0.10 0.00 0.00 0.00 0.00 51.96 53.07 3adn s ALA 221 Cb 0.03 0.16 0.02 0.00 0.00 0.00 0.00 23.12 23.32 3adn s ALA 221 CO -0.12 -0.44 0.17 0.00 0.00 0.00 0.00 175.76 175.37 3adn s ALA 222 N -1.66 3.24 -0.38 0.00 0.00 -1.26 -0.85 121.76 120.86 3adn s ALA 222 Ca -0.09 -1.59 -0.16 0.00 0.00 0.00 0.00 51.96 50.12 3adn s ALA 222 Cb -0.00 -2.47 0.00 0.00 0.00 0.00 0.00 23.12 20.65 3adn s ALA 222 CO 0.06 -1.19 0.41 0.42 0.00 0.00 0.00 175.76 175.45 3adn s ILE 223 N 1.56 5.12 0.42 0.00 1.09 -1.26 -4.97 121.20 123.16 3adn s ILE 223 Ca 0.03 -0.11 0.21 0.00 -1.10 0.00 0.00 60.65 59.68 3adn s ILE 223 Cb -0.18 -3.93 0.41 0.00 -1.06 0.00 0.00 42.46 37.70 3adn s ILE 223 CO 0.06 -0.25 1.78 1.55 -0.10 0.00 0.00 174.94 177.99 3adn h PRO 224 N 8.58 0.33 0.00 2.79 0.13 -1.93 0.38 132.00 142.27 3adn h PRO 224 Ca -0.28 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 3adn h PRO 224 Cb 1.13 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.18 3adn h PRO 224 CO 0.74 0.22 0.00 1.15 -0.23 0.00 0.00 178.00 179.88 3adn h THR 225 N 0.34 0.00 -3.13 1.56 2.02 -1.95 -3.37 112.91 108.38 3adn h THR 225 Ca 0.58 -0.58 -0.78 0.00 0.77 0.00 0.00 66.41 66.40 3adn h THR 225 Cb 1.58 1.57 -0.25 0.00 -1.74 0.00 0.00 68.15 69.31 3adn h THR 225 CO -0.25 0.00 0.74 -0.31 0.37 0.00 0.00 175.52 176.06 3adn s TYR 226 N -3.13 4.05 0.25 3.16 2.02 0.12 -4.98 117.35 118.84 3adn s TYR 226 Ca 0.10 -2.53 -0.27 0.00 -0.37 0.00 0.00 57.07 53.99 3adn s TYR 226 Cb 0.11 -3.99 -0.16 0.00 -0.40 0.00 0.00 41.96 37.52 3adn s TYR 226 CO 0.61 -1.09 0.65 0.98 -1.57 0.00 0.00 175.55 175.13 3adn n TYR 227 N 3.59 -0.04 0.00 2.71 9.36 -1.26 -4.12 117.16 127.40 3adn n TYR 227 Ca 0.28 0.85 0.00 0.00 3.32 0.00 0.00 57.90 62.35 3adn n TYR 227 Cb 0.40 -2.04 0.00 0.00 -0.63 0.00 0.00 39.34 37.07 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 1.77 1.36 7.00 2.98 0.00 -1.26 -4.93 105.19 112.11 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 -0.18 0.61 3.78 -0.02 0.00 -1.26 -4.72 105.19 103.39 3adn n GLY 229 Ca 0.00 -0.65 -0.41 0.00 0.00 0.00 0.00 46.02 44.96 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 2.13 -4.55 -0.61 5.41 -1.26 -4.17 119.36 116.31 3adn n ILE 230 Ca 0.00 -0.50 -0.31 0.00 1.00 0.00 0.00 62.75 62.94 3adn n ILE 230 Cb 0.00 -1.97 -0.11 0.00 -0.71 0.00 0.00 39.64 36.85 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 -2.17 2.29 -0.15 0.38 -2.45 -0.03 -1.88 119.30 115.28 3adn s MET 231 Ca 0.54 -0.87 -0.06 0.00 -1.25 0.00 0.00 55.69 54.05 3adn s MET 231 Cb -0.47 -2.33 -0.04 0.00 1.25 0.00 0.00 34.83 33.24 3adn s MET 231 CO 0.63 0.56 0.06 0.99 1.05 0.00 0.00 175.02 178.32 3adn s THR 232 N -0.97 4.83 -0.24 10.11 2.01 0.17 -2.71 115.64 128.83 3adn s THR 232 Ca 0.16 -0.03 -0.00 0.00 0.31 0.00 0.00 61.69 62.13 3adn s THR 232 Cb -0.11 -3.14 0.03 0.00 0.01 0.00 0.00 72.50 69.30 3adn s THR 232 CO 0.07 0.52 -0.09 -0.36 -0.69 0.00 0.00 174.62 174.07 3adn s PHE 233 N -0.15 3.07 0.52 4.92 0.08 -0.42 -0.03 117.98 125.97 3adn s PHE 233 Ca 0.07 -1.76 -0.22 0.00 0.12 0.00 0.00 56.93 55.14 3adn s PHE 233 Cb -0.12 -2.01 -0.06 0.00 -0.57 0.00 0.00 43.02 40.26 3adn s PHE 233 CO 0.01 -0.78 1.33 0.00 -0.10 0.00 0.00 175.22 175.69 3adn s ALA 234 N 1.26 2.90 -0.07 5.36 0.00 0.69 -1.27 121.76 130.64 3adn s ALA 234 Ca -0.01 1.28 -0.01 0.00 0.00 0.00 0.00 51.96 53.22 3adn s ALA 234 Cb -0.17 -3.54 0.03 0.00 0.00 0.00 0.00 23.12 19.44 3adn s ALA 234 CO -0.06 -1.23 0.01 -0.46 0.00 0.00 0.00 175.76 174.03 3adn s TRP 235 N -1.33 0.56 -0.02 0.00 -0.11 0.57 -2.73 118.94 115.88 3adn s TRP 235 Ca 0.69 -0.09 0.00 0.00 1.22 0.00 0.00 56.10 57.92 3adn s TRP 235 Cb -0.39 -0.74 0.02 0.00 -1.50 0.00 0.00 33.47 30.85 3adn s TRP 235 CO 0.47 -0.31 -0.00 0.00 -4.62 0.00 0.00 176.95 172.49 3adn s ALA 236 N 2.01 0.20 0.01 5.86 0.00 0.24 -0.47 121.76 129.61 3adn s ALA 236 Ca 0.05 0.10 -0.29 0.00 0.00 0.00 0.00 51.96 51.83 3adn s ALA 236 Cb -0.12 -0.20 0.10 0.00 0.00 0.00 0.00 23.12 22.90 3adn s ALA 236 CO -0.05 -0.04 0.94 -0.08 0.00 0.00 0.00 175.76 176.53 3adn s THR 237 N 0.62 0.00 -0.82 0.00 -1.32 -0.38 -0.31 115.64 113.44 3adn s THR 237 Ca -0.06 -0.14 0.24 0.00 -1.21 0.00 0.00 61.69 60.52 3adn s THR 237 Cb -0.09 -1.23 -0.07 0.00 -1.51 0.00 0.00 72.50 69.60 3adn s THR 237 CO -0.01 0.00 1.19 0.47 -2.21 0.00 0.00 174.62 174.05 3adn n ASP 238 N -0.29 0.63 -4.43 8.08 8.00 -1.26 -1.27 116.55 126.01 3adn n ASP 238 Ca -0.08 -0.31 -0.44 0.00 0.71 0.00 0.00 54.79 54.67 3adn n ASP 238 Cb 0.61 0.55 -0.02 0.00 -0.02 0.00 0.00 41.12 42.24 3adn n ASP 238 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 3adn s ASN 239 N -3.47 6.65 0.00 -2.24 3.04 -1.26 -4.72 114.94 112.93 3adn s ASN 239 Ca 0.07 -2.14 0.00 0.00 0.04 0.00 0.00 52.86 50.84 3adn s ASN 239 Cb 0.16 -2.37 0.01 0.00 -1.54 0.00 0.00 41.25 37.50 3adn s ASN 239 CO 0.76 -0.99 0.34 -0.90 -3.04 0.00 0.00 177.10 173.27 3adn n ASP 240 N 6.16 0.00 -0.01 -4.21 5.75 -1.26 -2.63 116.55 120.35 3adn n ASP 240 Ca 0.22 -0.65 0.08 0.00 -0.01 0.00 0.00 54.79 54.43 3adn n ASP 240 Cb 0.49 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 40.46 3adn n ASP 240 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3adn n ALA 241 N -0.51 3.09 0.00 2.12 0.00 -1.26 -4.68 120.51 119.27 3adn n ALA 241 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.01 3adn n ALA 241 Cb 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 19.45 18.86 3adn n ALA 241 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3adn n LEU 242 N -1.89 0.00 -3.41 0.00 4.32 -1.08 -3.46 117.00 111.49 3adn n LEU 242 Ca -0.01 0.00 -0.26 0.00 -0.02 0.00 0.00 56.01 55.72 3adn n LEU 242 Cb 0.39 0.00 -0.09 0.00 -1.62 0.00 0.00 43.42 42.11 3adn n LEU 242 CO 0.35 0.00 -0.13 -2.11 -1.22 0.00 0.00 177.39 174.28 3adn n ARG 243 N 0.63 1.44 -3.24 3.23 1.85 -1.26 -4.83 116.66 114.47 3adn n ARG 243 Ca 0.00 -3.92 -0.19 0.00 -1.00 0.00 0.00 57.85 52.75 3adn n ARG 243 Cb 0.00 -1.81 -0.01 0.00 -1.05 0.00 0.00 32.46 29.59 3adn n ARG 243 CO 0.00 0.00 0.00 -2.39 -0.01 0.00 0.00 177.63 175.23 3adn n HIS 244 N 1.51 -0.49 -1.52 2.89 1.44 -1.22 -5.11 115.22 112.71 3adn n HIS 244 Ca 0.25 -1.60 -0.37 0.00 -2.01 0.00 0.00 57.72 54.00 3adn n HIS 244 Cb 0.45 -0.28 0.07 0.00 0.12 0.00 0.00 29.99 30.35 3adn n HIS 244 CO 0.00 0.00 0.00 1.47 -2.81 0.00 0.00 176.34 175.00 3adn n LEU 245 N 0.00 3.86 -0.13 2.39 -0.00 -1.26 -4.92 117.00 116.94 3adn n LEU 245 Ca -0.05 0.74 -0.08 0.00 -0.00 0.00 0.00 56.01 56.63 3adn n LEU 245 Cb 0.42 -1.41 0.00 0.00 -0.00 0.00 0.00 43.42 42.44 3adn n LEU 245 CO 0.24 -1.87 1.04 -1.28 -0.00 0.00 0.00 177.39 175.52 3adn h SER 246 N 0.16 0.45 -0.73 1.45 0.87 -1.99 -3.08 113.55 110.67 3adn h SER 246 Ca -0.48 -0.01 0.04 0.00 -1.23 0.00 0.00 61.79 60.11 3adn h SER 246 Cb 1.35 -0.11 -0.05 0.00 -0.44 0.00 0.00 62.40 63.15 3adn h SER 246 CO 0.49 0.33 0.45 0.71 -0.53 0.00 0.00 176.83 178.28 3adn h THR 247 N 0.53 1.07 -0.48 2.23 1.35 -1.94 0.12 112.91 115.80 3adn h THR 247 Ca 0.15 -0.30 -0.01 0.00 -0.55 0.00 0.00 66.41 65.70 3adn h THR 247 Cb -0.06 0.13 -0.02 0.00 -1.73 0.00 0.00 68.15 66.47 3adn h THR 247 CO -0.04 0.16 0.26 -0.33 -0.25 0.00 0.00 175.52 175.32 3adn h GLU 248 N 0.87 0.65 0.00 4.72 3.07 -1.94 0.53 114.58 122.48 3adn h GLU 248 Ca 0.30 -0.06 -0.01 0.00 -0.50 0.00 0.00 59.36 59.09 3adn h GLU 248 Cb 0.07 -0.14 -0.00 0.00 -0.84 0.00 0.00 28.75 27.84 3adn h GLU 248 CO -0.13 0.49 -0.06 0.82 -1.40 0.00 0.00 179.01 178.73 3adn h ILE 249 N 0.66 0.16 0.00 3.13 1.08 -0.73 -3.10 117.51 118.70 3adn h ILE 249 Ca 0.17 -0.61 -0.36 0.00 -0.39 0.00 0.00 64.86 63.67 3adn h ILE 249 Cb 0.03 1.52 -0.02 0.00 -3.07 0.00 0.00 36.82 35.28 3adn h ILE 249 CO -0.03 0.05 1.51 -0.38 -0.69 0.00 0.00 178.15 178.62 3adn n ILE 250 N -3.19 3.17 -1.31 -0.67 5.41 0.18 -2.64 119.36 120.30 3adn n ILE 250 Ca 0.00 -1.76 0.06 0.00 1.00 0.00 0.00 62.75 62.06 3adn n ILE 250 Cb 0.31 -2.19 0.19 0.00 -0.71 0.00 0.00 39.64 37.24 3adn n ILE 250 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3adn n GLN 251 N 3.13 1.64 0.23 0.38 10.64 -1.18 -4.49 117.38 127.74 3adn n GLN 251 Ca 0.52 -2.96 0.10 0.00 -1.83 0.00 0.00 57.00 52.84 3adn n GLN 251 Cb 0.52 -1.62 0.52 0.00 -0.86 0.00 0.00 30.24 28.79 3adn n GLN 251 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3adn h ALA 252 N 0.70 1.07 -0.17 2.61 0.00 -1.81 -3.38 119.26 118.27 3adn h ALA 252 Ca 0.03 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 3adn h ALA 252 Cb 1.14 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 3adn h ALA 252 CO 0.08 0.26 0.24 0.54 0.00 0.00 0.00 179.25 180.36 3adn n ARG 253 N -3.45 0.26 0.00 0.00 5.12 -1.26 -4.28 116.66 113.05 3adn n ARG 253 Ca -0.00 -1.10 0.00 0.00 -1.93 0.00 0.00 57.85 54.81 3adn n ARG 253 Cb 0.39 -3.39 0.00 0.00 -1.16 0.00 0.00 32.46 28.30 3adn n ARG 253 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 3adn n PHE 254 N 17.21 0.00 0.00 -1.55 7.35 -1.26 -5.20 117.46 134.01 3adn n PHE 254 Ca 0.42 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 57.11 3adn n PHE 254 Cb 0.43 0.01 0.00 0.00 0.35 0.00 0.00 39.48 40.27 3adn n PHE 254 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 3adn n LEU 259 N 0.00 0.00 -4.08 -2.13 7.94 -1.26 -5.04 117.00 112.43 3adn n LEU 259 Ca 0.00 0.00 -0.34 0.00 -1.11 0.00 0.00 56.01 54.56 3adn n LEU 259 Cb 0.05 0.00 -0.12 0.00 0.53 0.00 0.00 43.42 43.88 3adn n LEU 259 CO 0.00 0.00 -0.17 -0.75 -1.11 0.00 0.00 177.39 175.36 3adn s LYS 260 N -0.49 1.99 0.61 1.96 2.47 -1.26 -5.07 119.74 119.96 3adn s LYS 260 Ca 0.00 -2.05 -0.05 0.00 -1.56 0.00 0.00 55.97 52.31 3adn s LYS 260 Cb 0.00 -3.50 0.03 0.00 -1.46 0.00 0.00 37.83 32.89 3adn s LYS 260 CO 0.00 -1.07 0.91 0.00 0.16 0.00 0.00 175.35 175.35 3adn n ARG 262 N -2.63 0.43 0.04 0.00 1.74 -1.26 -4.78 116.66 110.20 3adn n ARG 262 Ca 0.06 -0.07 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 3adn n ARG 262 Cb 0.59 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.56 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 -1.76 -0.47 -1.47 -1.55 9.36 -1.26 -5.07 117.16 114.94 3adn n TYR 263 Ca 0.01 0.08 -0.44 0.00 3.32 0.00 0.00 57.90 60.88 3adn n TYR 263 Cb 0.40 0.20 -0.01 0.00 -0.63 0.00 0.00 39.34 39.30 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 -2.99 -0.10 -4.01 2.98 9.36 -1.26 -4.95 117.16 116.19 3adn n TYR 264 Ca 0.00 0.70 -0.09 0.00 3.32 0.00 0.00 57.90 61.83 3adn n TYR 264 Cb 0.00 -2.04 -0.06 0.00 -0.63 0.00 0.00 39.34 36.61 3adn n TYR 264 CO 0.00 0.00 0.00 -0.80 0.22 0.00 0.00 176.86 176.28 3adn s ASN 265 N -0.86 -0.07 0.32 2.98 0.01 -1.26 -4.63 114.94 111.44 3adn s ASN 265 Ca 0.62 -0.96 0.17 0.00 -0.71 0.00 0.00 52.86 51.98 3adn s ASN 265 Cb -0.69 0.56 0.19 0.00 0.41 0.00 0.00 41.25 41.71 3adn s ASN 265 CO 0.58 -1.10 1.51 -0.65 -1.51 0.00 0.00 177.10 175.93 3adn h PRO 266 N 2.30 0.00 -0.00 -0.60 0.11 -1.94 -1.19 132.00 130.67 3adn h PRO 266 Ca -0.27 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.83 3adn h PRO 266 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3adn h PRO 266 CO 0.38 0.39 -0.04 0.00 -0.21 0.00 0.00 178.00 178.53 3adn h ALA 267 N 1.61 0.01 -0.93 -0.75 0.00 -1.95 -2.87 119.26 114.38 3adn h ALA 267 Ca -0.00 -0.38 0.09 0.00 0.00 0.00 0.00 54.91 54.62 3adn h ALA 267 Cb 1.27 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.98 3adn h ALA 267 CO 0.05 -0.10 0.57 0.82 0.00 0.00 0.00 179.25 180.59 3adn h ILE 268 N -0.68 0.98 -0.41 0.00 1.08 -1.92 -1.34 117.51 115.22 3adn h ILE 268 Ca -0.00 -0.34 0.06 0.00 -0.39 0.00 0.00 64.86 64.20 3adn h ILE 268 Cb 0.76 -0.08 -0.06 0.00 -3.07 0.00 0.00 36.82 34.38 3adn h ILE 268 CO 0.01 0.18 0.07 -0.74 -0.69 0.00 0.00 178.15 176.98 3adn h HIS 269 N 0.98 0.12 -0.21 1.37 2.76 -1.18 -0.89 115.15 118.09 3adn h HIS 269 Ca 0.43 0.03 -0.11 0.00 -2.20 0.00 0.00 60.37 58.52 3adn h HIS 269 Cb 0.31 0.01 -0.00 0.00 1.55 0.00 0.00 27.41 29.28 3adn h HIS 269 CO -0.02 0.00 -0.28 1.15 -1.30 0.00 0.00 177.93 177.47 3adn h THR 270 N 0.20 1.33 -0.41 6.26 2.02 -1.20 -3.26 112.91 117.85 3adn h THR 270 Ca 0.20 -1.48 -0.03 0.00 0.77 0.00 0.00 66.41 65.86 3adn h THR 270 Cb 0.24 1.79 -0.02 0.00 -1.74 0.00 0.00 68.15 68.43 3adn h THR 270 CO -0.27 0.46 0.12 0.00 0.37 0.00 0.00 175.52 176.21 3adn h ALA 271 N 0.63 1.46 0.00 6.16 0.00 -1.04 -2.97 119.26 123.50 3adn h ALA 271 Ca 0.02 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3adn h ALA 271 Cb 0.86 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3adn h ALA 271 CO 0.07 0.40 0.18 0.00 0.00 0.00 0.00 179.25 179.90 3adn h ALA 272 N 1.56 1.16 -0.00 0.00 0.00 -1.21 0.94 119.26 121.72 3adn h ALA 272 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3adn h ALA 272 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3adn h ALA 272 CO -0.01 -0.16 -0.32 1.19 0.00 0.00 0.00 179.25 179.95 3adn n PHE 273 N -2.60 0.00 -2.58 0.00 3.72 -1.12 0.93 117.46 115.81 3adn n PHE 273 Ca -0.02 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.97 3adn n PHE 273 Cb 0.23 -0.33 -0.03 0.00 -0.94 0.00 0.00 39.48 38.40 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 -2.99 2.78 0.13 4.37 0.00 0.32 -4.88 121.76 121.49 3adn s ALA 274 Ca 0.12 -1.51 -0.23 0.00 0.00 0.00 0.00 51.96 50.35 3adn s ALA 274 Cb 0.18 -4.25 -0.07 0.00 0.00 0.00 0.00 23.12 18.97 3adn s ALA 274 CO 0.64 -3.28 0.69 -0.51 0.00 0.00 0.00 175.76 173.30 3adn s LEU 275 N 5.51 4.56 0.40 0.00 1.43 -1.26 -4.94 118.68 124.37 3adn s LEU 275 Ca 0.35 1.48 -0.27 0.00 -1.03 0.00 0.00 54.13 54.66 3adn s LEU 275 Cb -0.08 -3.14 -0.10 0.00 0.03 0.00 0.00 46.19 42.90 3adn s LEU 275 CO 0.12 0.23 1.44 -2.16 0.23 0.00 0.00 176.35 176.21 3adn s PRO 276 N -1.16 4.00 0.18 1.29 0.04 -1.26 -4.75 135.00 133.35 3adn s PRO 276 Ca 0.33 2.47 -0.14 0.00 0.04 0.00 0.00 61.00 63.70 3adn s PRO 276 Cb -0.21 -2.88 0.19 0.00 0.04 0.00 0.00 34.50 31.64 3adn s PRO 276 CO 0.23 -0.58 1.25 0.94 0.04 0.00 0.00 177.00 178.88 3adn n GLN 277 N 0.28 -0.19 -0.21 4.56 -0.06 -1.26 -1.50 117.38 119.00 3adn n GLN 277 Ca 0.02 1.24 0.01 0.00 -2.00 0.00 0.00 57.00 56.27 3adn n GLN 277 Cb 0.40 -1.84 0.12 0.00 -4.06 0.00 0.00 30.24 24.87 3adn n GLN 277 CO 0.00 0.00 0.00 0.10 -0.20 0.00 0.00 177.06 176.96 3adn h TYR 278 N 0.00 0.28 -0.53 3.69 -0.00 -2.00 0.42 116.97 118.84 3adn h TYR 278 Ca 0.28 0.04 0.03 0.00 -0.00 0.00 0.00 58.73 59.07 3adn h TYR 278 Cb 0.48 -0.03 -0.04 0.00 -0.00 0.00 0.00 36.73 37.14 3adn h TYR 278 CO -0.71 0.00 0.31 1.25 -0.00 0.00 0.00 178.16 179.01 3adn h LEU 279 N 0.31 0.48 -0.10 0.10 6.46 -1.63 -0.60 115.31 120.33 3adn h LEU 279 Ca 0.33 0.01 0.02 0.00 -0.12 0.00 0.00 57.88 58.12 3adn h LEU 279 Cb 0.48 -0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 40.30 3adn h LEU 279 CO -0.39 0.34 -0.05 1.56 -0.62 0.00 0.00 178.44 179.28 3adn h GLN 280 N 0.60 -0.04 -0.46 1.25 4.20 -0.84 -2.40 115.11 117.43 3adn h GLN 280 Ca 0.22 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.97 3adn h GLN 280 Cb 0.05 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 27.80 3adn h GLN 280 CO -0.11 -0.03 0.21 -0.44 -0.67 0.00 0.00 178.83 177.80 3adn h ASP 281 N -0.04 0.29 -0.43 1.46 3.32 -0.54 0.80 116.42 121.27 3adn h ASP 281 Ca 0.06 0.03 0.13 0.00 0.02 0.00 0.00 57.03 57.27 3adn h ASP 281 Cb 0.13 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 3adn h ASP 281 CO -0.13 0.21 0.51 0.00 -1.72 0.00 0.00 179.24 178.11 3adn h ALA 282 N 1.26 2.13 -2.70 3.45 0.00 -0.64 -3.40 119.26 119.36 3adn h ALA 282 Ca 0.20 -0.02 -0.64 0.00 0.00 0.00 0.00 54.91 54.46 3adn h ALA 282 Cb 0.14 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 3adn h ALA 282 CO -0.16 -0.74 -0.41 -0.51 0.00 0.00 0.00 179.25 177.43 3adn s LEU 283 N -7.17 4.39 -0.33 0.00 1.43 0.27 -4.91 118.68 112.36 3adn s LEU 283 Ca -0.04 0.54 -0.08 0.00 -1.03 0.00 0.00 54.13 53.53 3adn s LEU 283 Cb 0.15 -2.46 0.19 0.00 0.03 0.00 0.00 46.19 44.09 3adn s LEU 283 CO 0.51 0.31 1.00 0.00 0.23 0.00 0.00 176.35 178.41 3adn s ALA 284 N -1.19 -4.21 -0.18 4.21 0.00 -1.26 -4.95 121.76 114.18 3adn s ALA 284 Ca 0.23 1.17 -0.15 0.00 0.00 0.00 0.00 51.96 53.21 3adn s ALA 284 Cb -0.13 -2.98 -0.06 0.00 0.00 0.00 0.00 23.12 19.95 3adn s ALA 284 CO 0.12 -2.45 -0.27 -1.13 0.00 0.00 0.00 175.76 172.03 3adn n SER 285 N 3.81 1.90 -0.19 0.00 3.41 -1.26 -5.16 113.62 116.13 3adn n SER 285 Ca 0.06 0.43 0.02 0.00 -0.26 0.00 0.00 58.87 59.13 3adn n SER 285 Cb 0.62 -0.80 0.02 0.00 -0.26 0.00 0.00 64.21 63.80 3adn n SER 285 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88