#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 0.05 1.08 -0.00 0.22 -4.89 118.94 118.91 3adn s TRP 7 Ca 0.00 1.46 0.01 0.00 -0.00 0.00 0.00 56.10 57.57 3adn s TRP 7 Cb 0.00 -3.09 -0.04 0.00 -0.00 0.00 0.00 33.47 30.34 3adn s TRP 7 CO 0.00 -0.18 0.11 -1.01 -0.00 0.00 0.00 176.95 175.87 3adn s HIS 8 N 1.84 3.30 -0.15 5.86 3.76 -1.26 0.03 115.29 128.67 3adn s HIS 8 Ca 0.44 0.16 -0.16 0.00 -0.15 0.00 0.00 55.06 55.35 3adn s HIS 8 Cb -0.18 -1.69 -0.04 0.00 1.11 0.00 0.00 32.58 31.77 3adn s HIS 8 CO 0.17 0.55 0.41 -2.00 -0.85 0.00 0.00 174.74 173.02 3adn s GLU 9 N -2.18 4.28 -0.36 1.40 2.12 -0.67 -4.95 118.70 118.33 3adn s GLU 9 Ca 0.28 0.30 0.07 0.00 0.36 0.00 0.00 54.97 55.98 3adn s GLU 9 Cb -0.12 -3.46 0.61 0.00 0.26 0.00 0.00 34.13 31.42 3adn s GLU 9 CO 0.20 0.13 1.70 2.41 -0.54 0.00 0.00 175.26 179.17 3adn n THR 10 N 3.80 2.88 -0.03 -1.70 -1.04 -0.42 -4.58 114.28 113.19 3adn n THR 10 Ca -0.09 -2.22 -0.13 0.00 -2.04 0.00 0.00 64.05 59.57 3adn n THR 10 Cb 0.52 -0.39 -0.08 0.00 -1.82 0.00 0.00 70.33 68.56 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 1.22 0.19-10.03 -4.42 5.85 -1.89 -3.46 115.31 102.78 3adn h LEU 11 Ca 0.40 -0.41 -0.55 0.00 0.84 0.00 0.00 57.88 58.16 3adn h LEU 11 Cb 2.27 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 43.22 3adn h LEU 11 CO 0.74 0.56 -0.47 -1.00 -0.34 0.00 0.00 178.44 177.93 3adn s HIS 12 N -4.57 3.49 -0.48 1.25 3.76 -1.26 -5.06 115.29 112.42 3adn s HIS 12 Ca -0.15 0.13 -0.19 0.00 -0.15 0.00 0.00 55.06 54.70 3adn s HIS 12 Cb 0.04 -1.67 0.05 0.00 1.11 0.00 0.00 32.58 32.10 3adn s HIS 12 CO 0.71 0.52 0.59 0.16 -0.85 0.00 0.00 174.74 175.87 3adn s ASP 13 N -3.16 6.23 0.00 1.40 3.84 -1.26 -4.36 116.67 119.36 3adn s ASP 13 Ca 0.35 -0.79 0.00 0.00 -0.00 0.00 0.00 52.55 52.10 3adn s ASP 13 Cb -0.11 -2.28 0.00 0.00 -1.38 0.00 0.00 42.92 39.15 3adn s ASP 13 CO 0.28 -0.81 0.00 0.00 -0.00 0.00 0.00 175.17 174.64 3adn n GLN 14 N 6.06 0.00 -3.65 2.11 1.13 -1.26 -5.04 117.38 116.73 3adn n GLN 14 Ca -0.06 0.00 -0.04 0.00 -1.94 0.00 0.00 57.00 54.96 3adn n GLN 14 Cb 0.46 -0.37 -0.01 0.00 0.11 0.00 0.00 30.24 30.43 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 -2.27 -0.18 -1.42 1.08 -0.71 -1.26 -5.18 117.98 108.04 3adn s PHE 15 Ca 0.00 -0.03 0.00 0.00 -1.04 0.00 0.00 56.93 55.86 3adn s PHE 15 Cb 0.00 0.59 0.00 0.00 -1.21 0.00 0.00 43.02 42.40 3adn s PHE 15 CO 0.00 -0.61 0.00 0.41 -1.34 0.00 0.00 175.22 173.68 3adn n GLY 16 N -0.38 -1.00 3.19 1.99 0.00 -1.26 -4.11 105.19 103.62 3adn n GLY 16 Ca -0.07 -0.85 -0.19 0.00 0.00 0.00 0.00 46.02 44.91 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 -0.57 0.88 0.07 1.61 -2.07 -1.26 -5.02 119.66 113.29 3adn s GLN 17 Ca 0.00 -1.00 0.05 0.00 -1.82 0.00 0.00 55.36 52.59 3adn s GLN 17 Cb 0.00 -0.91 -0.03 0.00 -1.09 0.00 0.00 33.01 30.98 3adn s GLN 17 CO 0.00 0.20 -0.14 1.52 -1.32 0.00 0.00 175.29 175.55 3adn s TYR 18 N -1.32 1.23 -0.04 9.60 1.13 -1.26 -1.67 117.35 125.02 3adn s TYR 18 Ca -0.00 -0.45 0.03 0.00 -1.41 0.00 0.00 57.07 55.24 3adn s TYR 18 Cb -0.10 -0.69 0.00 0.00 -1.10 0.00 0.00 41.96 40.07 3adn s TYR 18 CO 0.03 0.06 -0.13 -0.06 -2.51 0.00 0.00 175.55 172.94 3adn s PHE 19 N -1.25 1.39 -0.13 -3.49 0.08 0.10 -4.91 117.98 109.77 3adn s PHE 19 Ca -0.02 -0.42 -0.29 0.00 0.12 0.00 0.00 56.93 56.32 3adn s PHE 19 Cb -0.10 -0.97 -0.02 0.00 -0.57 0.00 0.00 43.02 41.36 3adn s PHE 19 CO 0.02 -0.18 1.17 0.00 -0.10 0.00 0.00 175.22 176.14 3adn s ALA 20 N 0.27 3.58 -0.04 5.36 0.00 -1.26 0.73 121.76 130.40 3adn s ALA 20 Ca -0.07 0.46 -0.30 0.00 0.00 0.00 0.00 51.96 52.05 3adn s ALA 20 Cb -0.12 -3.55 -0.02 0.00 0.00 0.00 0.00 23.12 19.43 3adn s ALA 20 CO 0.02 -0.94 1.00 0.08 0.00 0.00 0.00 175.76 175.92 3adn s VAL 21 N 2.82 4.82 -0.07 0.00 1.01 -1.26 -4.54 120.40 123.18 3adn s VAL 21 Ca 0.53 2.04 0.12 0.00 0.00 0.00 0.00 61.98 64.67 3adn s VAL 21 Cb -0.21 -4.31 -0.17 0.00 0.00 0.00 0.00 36.38 31.68 3adn s VAL 21 CO 0.16 0.10 0.16 0.47 0.00 0.00 0.00 175.10 175.99 3adn n ASP 22 N 4.32 2.00 -3.29 3.32 8.00 -1.05 -4.99 116.55 124.87 3adn n ASP 22 Ca 0.07 0.00 0.03 0.00 0.71 0.00 0.00 54.79 55.60 3adn n ASP 22 Cb 0.50 1.17 -0.04 0.00 -0.02 0.00 0.00 41.12 42.73 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 -4.04 -0.33 0.04 -2.24 3.84 -1.26 -5.00 114.94 105.95 3adn s ASN 23 Ca -0.05 0.44 -0.28 0.00 0.21 0.00 0.00 52.86 53.18 3adn s ASN 23 Cb 0.06 1.37 -0.05 0.00 -0.55 0.00 0.00 41.25 42.08 3adn s ASN 23 CO 0.52 -0.06 0.87 -0.69 -2.79 0.00 0.00 177.10 174.95 3adn s VAL 24 N 2.27 4.73 -0.12 -5.21 1.01 -1.26 -1.67 120.40 120.16 3adn s VAL 24 Ca -0.01 1.85 0.19 0.00 0.00 0.00 0.00 61.98 64.01 3adn s VAL 24 Cb -0.04 -4.22 -0.27 0.00 0.00 0.00 0.00 36.38 31.85 3adn s VAL 24 CO -0.17 0.28 0.23 0.18 0.00 0.00 0.00 175.10 175.62 3adn n LEU 25 N 3.20 0.00 -3.86 3.92 7.99 -0.03 -4.96 117.00 123.26 3adn n LEU 25 Ca 0.01 0.00 -0.09 0.00 -0.01 0.00 0.00 56.01 55.92 3adn n LEU 25 Cb 0.50 0.28 -0.04 0.00 -0.11 0.00 0.00 43.42 44.05 3adn n LEU 25 CO 0.50 0.28 0.26 -0.47 -1.51 0.00 0.00 177.39 176.45 3adn s TYR 26 N -2.86 0.06 0.00 -1.77 5.04 -1.14 -4.95 117.35 111.72 3adn s TYR 26 Ca -0.09 -0.43 0.00 0.00 -2.44 0.00 0.00 57.07 54.11 3adn s TYR 26 Cb 0.09 0.36 0.00 0.00 0.35 0.00 0.00 41.96 42.76 3adn s TYR 26 CO 0.82 -0.99 0.00 1.58 -1.34 0.00 0.00 175.55 175.61 3adn n HIS 27 N -0.37 0.00 0.00 4.97 -0.00 -1.25 -2.91 115.22 115.66 3adn n HIS 27 Ca -0.06 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.12 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 -0.19 1.57 -0.00 -1.04 -5.04 120.64 115.94 3adn n GLU 28 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 3adn n GLU 28 Cb 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 31.44 31.47 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 -0.10 -2.53 3.44 1.13 -1.26 -4.01 117.38 114.05 3adn n GLN 33 Ca 0.00 0.77 -0.04 0.00 -1.94 0.00 0.00 57.00 55.79 3adn n GLN 33 Cb 0.00 -1.15 0.09 0.00 0.11 0.00 0.00 30.24 29.29 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 -4.75 -1.39 -4.66 1.08 4.64 -1.26 -4.95 116.55 105.25 3adn n ASP 34 Ca 0.06 -2.07 -0.43 0.00 -1.38 0.00 0.00 54.79 50.97 3adn n ASP 34 Cb 0.21 0.76 -0.02 0.00 -1.04 0.00 0.00 41.12 41.03 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 -3.00 4.21 0.01 -2.67 0.20 -1.26 -3.29 118.68 112.89 3adn s LEU 35 Ca 0.12 1.78 0.07 0.00 0.69 0.00 0.00 54.13 56.78 3adn s LEU 35 Cb 0.32 -3.54 -0.02 0.00 -0.43 0.00 0.00 46.19 42.52 3adn s LEU 35 CO -0.08 -0.75 -0.20 -0.51 -0.29 0.00 0.00 176.35 174.51 3adn s ILE 36 N 3.34 1.60 -0.42 6.68 1.10 -0.25 -2.50 121.20 130.74 3adn s ILE 36 Ca 0.57 -1.00 0.02 0.00 -0.51 0.00 0.00 60.65 59.73 3adn s ILE 36 Cb -0.24 -1.36 0.15 0.00 0.15 0.00 0.00 42.46 41.17 3adn s ILE 36 CO 0.17 0.33 0.29 -0.63 -2.11 0.00 0.00 174.94 173.00 3adn s ILE 37 N -0.62 0.72 0.31 2.00 1.01 -1.15 -1.35 121.20 122.12 3adn s ILE 37 Ca 0.07 -2.48 0.05 0.00 0.00 0.00 0.00 60.65 58.29 3adn s ILE 37 Cb -0.08 -1.50 0.05 0.00 0.01 0.00 0.00 42.46 40.94 3adn s ILE 37 CO 0.00 -1.07 0.42 2.22 0.00 0.00 0.00 174.94 176.52 3adn n PHE 38 N 3.29 -2.68 -4.43 3.97 -1.74 -1.24 -0.85 117.46 113.78 3adn n PHE 38 Ca 0.19 -1.08 -0.26 0.00 -0.56 0.00 0.00 57.45 55.74 3adn n PHE 38 Cb 0.41 -0.29 -0.11 0.00 1.52 0.00 0.00 39.48 41.00 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 -3.40 1.58 0.02 3.97 2.02 -0.67 -0.27 118.70 121.96 3adn s GLU 39 Ca 0.32 -1.57 0.01 0.00 0.02 0.00 0.00 54.97 53.75 3adn s GLU 39 Cb -0.02 -1.84 -0.02 0.00 0.10 0.00 0.00 34.13 32.34 3adn s GLU 39 CO 0.20 0.39 -0.05 1.21 0.02 0.00 0.00 175.26 177.03 3adn s ASN 40 N -2.86 0.49 0.38 -0.19 3.84 0.05 -2.53 114.94 114.12 3adn s ASN 40 Ca 0.23 -0.42 0.07 0.00 0.21 0.00 0.00 52.86 52.95 3adn s ASN 40 Cb -0.07 0.05 0.81 0.00 -0.55 0.00 0.00 41.25 41.48 3adn s ASN 40 CO 0.11 -0.19 1.98 0.00 -2.79 0.00 0.00 177.10 176.21 3adn h ALA 41 N 4.90 1.76 0.00 1.71 0.00 -1.88 -0.74 119.26 125.01 3adn h ALA 41 Ca -0.32 -0.02 -0.33 0.00 0.00 0.00 0.00 54.91 54.24 3adn h ALA 41 Cb 1.21 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.76 3adn h ALA 41 CO 0.43 0.14 -2.25 0.00 0.00 0.00 0.00 179.25 177.57 3adn n ALA 42 N -2.47 1.53 1.02 0.00 0.00 -1.26 -4.67 120.51 114.66 3adn n ALA 42 Ca 0.09 -1.00 0.11 0.00 0.00 0.00 0.00 53.44 52.64 3adn n ALA 42 Cb 0.22 -0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.63 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 -3.03 0.00 -4.51 0.00 3.72 -1.23 -4.85 117.46 107.55 3adn n PHE 43 Ca -0.37 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.03 3adn n PHE 43 Cb 0.96 -0.05 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 1.47 1.21 3.75 1.37 0.00 -0.28 -3.18 105.19 109.53 3adn n GLY 44 Ca 0.06 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.94 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 8.44 2.72 -3.77 1.61 3.00 -1.26 -0.77 116.66 126.63 3adn n ARG 45 Ca 0.00 0.97 -0.30 0.00 -0.01 0.00 0.00 57.85 58.51 3adn n ARG 45 Cb 0.00 -2.75 -0.13 0.00 0.00 0.00 0.00 32.46 29.58 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 -0.06 1.65 0.10 1.55 1.01 0.63 -2.92 120.40 122.36 3adn s VAL 46 Ca 0.63 -2.63 -0.31 0.00 0.00 0.00 0.00 61.98 59.68 3adn s VAL 46 Cb -0.49 -2.16 -0.07 0.00 0.00 0.00 0.00 36.38 33.66 3adn s VAL 46 CO 0.49 -0.85 1.32 -0.32 0.00 0.00 0.00 175.10 175.74 3adn s MET 47 N 0.32 4.36 -0.09 2.72 1.75 -1.17 -3.60 119.30 123.60 3adn s MET 47 Ca 0.17 1.97 -0.07 0.00 -1.25 0.00 0.00 55.69 56.51 3adn s MET 47 Cb -0.24 -3.27 0.03 0.00 2.84 0.00 0.00 34.83 34.18 3adn s MET 47 CO -0.01 -0.36 0.23 0.00 -0.65 0.00 0.00 175.02 174.22 3adn s ALA 48 N 1.00 -0.55 -0.11 4.11 0.00 -0.46 -0.43 121.76 125.32 3adn s ALA 48 Ca 0.62 0.74 0.02 0.00 0.00 0.00 0.00 51.96 53.35 3adn s ALA 48 Cb -0.34 -0.45 0.01 0.00 0.00 0.00 0.00 23.12 22.34 3adn s ALA 48 CO 0.30 -0.13 -0.18 -1.17 0.00 0.00 0.00 175.76 174.58 3adn s LEU 49 N 0.48 1.88 -1.55 0.00 2.96 -0.65 -1.09 118.68 120.71 3adn s LEU 49 Ca -0.03 -0.49 -0.14 0.00 -0.22 0.00 0.00 54.13 53.25 3adn s LEU 49 Cb -0.04 -1.22 0.10 0.00 0.50 0.00 0.00 46.19 45.53 3adn s LEU 49 CO -0.02 0.06 0.89 0.47 -1.32 0.00 0.00 176.35 176.42 3adn n ASP 50 N 4.04 -4.47 0.00 3.68 8.00 -1.21 -1.99 116.55 124.60 3adn n ASP 50 Ca -0.20 -0.77 0.00 0.00 0.71 0.00 0.00 54.79 54.53 3adn n ASP 50 Cb 0.52 -3.59 0.00 0.00 -0.02 0.00 0.00 41.12 38.03 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 -1.57 3.02 3.69 0.44 0.00 -1.26 -4.84 105.19 104.66 3adn n GLY 51 Ca 0.04 0.00 -0.37 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 -2.34 5.26 0.13 1.61 0.11 -0.84 -1.30 120.40 123.02 3adn s VAL 52 Ca 0.00 0.57 -0.32 0.00 -2.93 0.00 0.00 61.98 59.30 3adn s VAL 52 Cb 0.00 -3.66 -0.12 0.00 -1.53 0.00 0.00 36.38 31.07 3adn s VAL 52 CO 0.00 0.31 1.77 0.52 -3.33 0.00 0.00 175.10 174.37 3adn n VAL 53 N 4.10 0.23 -0.11 2.04 0.31 -1.26 -1.64 118.33 122.00 3adn n VAL 53 Ca -0.11 -0.04 -0.22 0.00 -0.01 0.00 0.00 64.34 63.97 3adn n VAL 53 Cb 0.51 -1.96 -0.11 0.00 -0.91 0.00 0.00 33.84 31.38 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 4.91 0.56 -3.70 5.55 1.13 0.43 -4.90 117.38 121.34 3adn n GLN 54 Ca 0.18 0.55 -0.09 0.00 -1.94 0.00 0.00 57.00 55.70 3adn n GLN 54 Cb 0.34 -1.73 0.02 0.00 0.11 0.00 0.00 30.24 28.99 3adn n GLN 54 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 3adn n THR 55 N -4.43 0.00 -3.69 5.09 -2.24 -1.14 -5.04 114.28 102.83 3adn n THR 55 Ca -0.33 -1.06 -0.14 0.00 -2.27 0.00 0.00 64.05 60.26 3adn n THR 55 Cb 0.68 0.97 -0.09 0.00 -2.10 0.00 0.00 70.33 69.79 3adn n THR 55 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3adn s THR 56 N -2.22 0.00 0.24 4.28 2.01 -1.26 -3.02 115.64 115.66 3adn s THR 56 Ca 0.17 -0.02 0.02 0.00 0.31 0.00 0.00 61.69 62.17 3adn s THR 56 Cb -0.04 -0.74 -0.02 0.00 0.01 0.00 0.00 72.50 71.72 3adn s THR 56 CO 0.13 -0.01 1.59 1.05 -0.69 0.00 0.00 174.62 176.69 3adn h GLU 57 N 5.16 0.38 -0.74 4.92 4.11 -1.59 0.24 114.58 127.07 3adn h GLU 57 Ca -0.28 -0.22 -0.06 0.00 0.07 0.00 0.00 59.36 58.87 3adn h GLU 57 Cb 1.17 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.40 3adn h GLU 57 CO 0.19 0.79 0.08 -2.13 0.07 0.00 0.00 179.01 178.02 3adn n ARG 58 N -3.97 3.64 0.00 1.06 0.63 -1.19 -4.34 116.66 112.49 3adn n ARG 58 Ca -0.02 -2.37 0.00 0.00 -0.92 0.00 0.00 57.85 54.53 3adn n ARG 58 Cb 0.56 -2.05 0.00 0.00 0.45 0.00 0.00 32.46 31.41 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 0.27 0.00 0.25 6.15 2.03 -1.08 -4.90 116.55 119.28 3adn n ASP 59 Ca 0.25 0.00 0.11 0.00 0.52 0.00 0.00 54.79 55.67 3adn n ASP 59 Cb 1.04 0.00 0.57 0.00 -0.72 0.00 0.00 41.12 42.01 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 -0.57 -0.67 9.09 -0.72 -2.52 114.58 119.20 3adn h GLU 60 Ca 0.00 0.00 -0.08 0.00 0.05 0.00 0.00 59.36 59.33 3adn h GLU 60 Cb 0.00 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.08 3adn h GLU 60 CO 0.00 0.00 0.05 0.27 0.05 0.00 0.00 179.01 179.38 3adn h PHE 61 N 0.00 0.99 0.01 2.06 -0.00 -1.84 -0.47 116.94 117.69 3adn h PHE 61 Ca 0.00 -0.14 -0.00 0.00 -0.00 0.00 0.00 57.97 57.83 3adn h PHE 61 Cb 0.68 -0.27 0.00 0.00 -0.00 0.00 0.00 35.95 36.36 3adn h PHE 61 CO 0.00 0.87 -0.00 0.82 -0.00 0.00 0.00 178.31 180.00 3adn h ILE 62 N 0.87 1.07 -0.44 0.88 2.04 -1.85 0.34 117.51 120.42 3adn h ILE 62 Ca 0.17 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.80 3adn h ILE 62 Cb 0.45 1.23 -0.02 0.00 -0.74 0.00 0.00 36.82 37.73 3adn h ILE 62 CO 0.02 0.06 0.29 0.22 0.00 0.00 0.00 178.15 178.74 3adn h TYR 63 N -0.11 0.56 0.07 1.37 3.20 -1.65 -2.08 116.97 118.33 3adn h TYR 63 Ca -0.00 0.01 -0.25 0.00 3.14 0.00 0.00 58.73 61.63 3adn h TYR 63 Cb 0.10 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.17 3adn h TYR 63 CO -0.04 0.36 -1.14 0.45 -1.64 0.00 0.00 178.16 176.14 3adn h HIS 64 N 0.60 0.27 0.50 -3.82 3.86 -1.01 -2.38 115.15 113.17 3adn h HIS 64 Ca 0.16 -0.20 -0.02 0.00 -1.16 0.00 0.00 60.37 59.15 3adn h HIS 64 Cb -0.06 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.40 3adn h HIS 64 CO -0.04 1.15 -0.24 0.93 0.86 0.00 0.00 177.93 180.59 3adn h GLU 65 N 0.04 -0.64 -0.11 2.45 5.08 -0.29 -2.34 114.58 118.77 3adn h GLU 65 Ca -0.08 0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 3adn h GLU 65 Cb 1.88 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 31.27 3adn h GLU 65 CO 0.17 -0.35 -0.07 0.52 -1.00 0.00 0.00 179.01 178.28 3adn h MET 66 N -0.85 0.16 0.00 2.33 2.86 -1.48 -1.05 114.93 116.90 3adn h MET 66 Ca -0.07 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 3adn h MET 66 Cb 0.59 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.22 3adn h MET 66 CO 0.11 0.25 -0.22 1.98 1.06 0.00 0.00 176.91 180.09 3adn h MET 67 N 0.16 0.00 0.00 1.72 1.85 -1.39 -3.33 114.93 113.94 3adn h MET 67 Ca 0.04 0.00 -0.27 0.00 -0.61 0.00 0.00 59.70 58.86 3adn h MET 67 Cb 0.23 0.00 -0.04 0.00 0.43 0.00 0.00 31.60 32.22 3adn h MET 67 CO 0.01 0.00 -1.87 -2.37 -0.40 0.00 0.00 176.91 172.28 3adn n THR 68 N -2.29 1.00 0.15 -0.77 5.66 -0.88 -4.68 114.28 112.46 3adn n THR 68 Ca 0.05 -0.21 0.00 0.00 -3.05 0.00 0.00 64.05 60.84 3adn n THR 68 Cb 0.44 -1.77 0.27 0.00 -1.55 0.00 0.00 70.33 67.73 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 -0.63 0.07 0.25 1.09 -0.00 -1.42 -2.64 115.15 111.88 3adn h HIS 69 Ca -0.41 -0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 59.93 3adn h HIS 69 Cb 1.33 -0.02 0.00 0.00 -0.00 0.00 0.00 27.41 28.72 3adn h HIS 69 CO -0.07 0.50 -0.12 0.28 -0.00 0.00 0.00 177.93 178.52 3adn h VAL 70 N 0.05 0.76 -0.06 2.45 2.07 -1.74 0.21 116.25 119.99 3adn h VAL 70 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 3adn h VAL 70 Cb 0.81 0.76 -0.00 0.00 -1.52 0.00 0.00 31.29 31.34 3adn h VAL 70 CO 0.06 0.00 0.00 -0.65 0.02 0.00 0.00 177.57 177.01 3adn h PRO 71 N -0.33 0.10 -0.78 1.57 0.11 -1.83 -1.40 132.00 129.44 3adn h PRO 71 Ca -0.03 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 66.07 3adn h PRO 71 Cb 0.25 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 31.31 3adn h PRO 71 CO 0.06 0.35 0.52 -0.07 -0.21 0.00 0.00 178.00 178.64 3adn h LEU 72 N -0.17 0.85 0.00 2.35 4.07 -1.45 0.14 115.31 121.11 3adn h LEU 72 Ca 0.02 -0.01 -0.18 0.00 0.08 0.00 0.00 57.88 57.79 3adn h LEU 72 Cb 0.31 -0.20 -0.03 0.00 1.08 0.00 0.00 40.66 41.81 3adn h LEU 72 CO 0.00 0.60 -1.10 -0.07 -1.08 0.00 0.00 178.44 176.79 3adn h LEU 73 N 1.00 0.00 0.31 1.67 4.07 -0.98 -3.35 115.31 118.03 3adn h LEU 73 Ca 0.30 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 58.25 3adn h LEU 73 Cb -0.02 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.72 3adn h LEU 73 CO -0.08 0.70 -0.15 0.00 -1.08 0.00 0.00 178.44 177.84 3adn h ALA 74 N 1.30 -1.04 -2.18 1.53 0.00 -0.62 -3.35 119.26 114.91 3adn h ALA 74 Ca -0.10 -0.09 -0.56 0.00 0.00 0.00 0.00 54.91 54.16 3adn h ALA 74 Cb 1.63 0.16 0.01 0.00 0.00 0.00 0.00 17.79 19.58 3adn h ALA 74 CO 0.07 -1.00 1.31 -1.58 0.00 0.00 0.00 179.25 178.05 3adn s HIS 75 N -3.77 1.36 0.38 0.00 5.65 0.45 -4.84 115.29 114.52 3adn s HIS 75 Ca -0.06 0.05 0.09 0.00 0.25 0.00 0.00 55.06 55.39 3adn s HIS 75 Cb 0.01 -4.09 0.76 0.00 -1.18 0.00 0.00 32.58 28.08 3adn s HIS 75 CO 0.18 -4.65 1.91 0.78 -0.65 0.00 0.00 174.74 172.31 3adn h GLY 76 N 12.39 0.28 -6.38 1.59 0.00 -1.77 -3.39 103.07 105.80 3adn h GLY 76 Ca -0.44 -0.17 -0.59 0.00 0.00 0.00 0.00 47.33 46.13 3adn h GLY 76 CO 0.96 0.16 -0.92 1.42 0.00 0.00 0.00 176.54 178.15 3adn n HIS 77 N -4.27 0.07 -2.94 5.60 -0.00 -1.26 -4.96 115.22 107.45 3adn n HIS 77 Ca -0.01 -3.56 -0.42 0.00 -0.00 0.00 0.00 57.72 53.74 3adn n HIS 77 Cb 0.27 -0.04 -0.05 0.00 -0.00 0.00 0.00 29.99 30.17 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 -0.58 3.54 -0.24 -1.41 0.00 -1.26 -4.92 121.76 116.89 3adn s ALA 78 Ca 0.33 -0.41 -0.11 0.00 0.00 0.00 0.00 51.96 51.76 3adn s ALA 78 Cb 0.06 -3.30 -0.16 0.00 0.00 0.00 0.00 23.12 19.72 3adn s ALA 78 CO -0.17 -1.19 -0.12 1.63 0.00 0.00 0.00 175.76 175.92 3adn n LYS 79 N 6.19 0.62 -3.96 0.00 5.02 -1.26 -4.14 118.16 120.63 3adn n LYS 79 Ca 0.04 0.31 -0.34 0.00 -2.02 0.00 0.00 58.31 56.29 3adn n LYS 79 Cb 0.48 -1.58 -0.14 0.00 -0.02 0.00 0.00 35.03 33.77 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 3.19 -0.12 2.13 3.76 -1.26 -1.70 115.29 118.81 3adn s HIS 80 Ca -0.34 -1.86 -0.07 0.00 -0.15 0.00 0.00 55.06 52.64 3adn s HIS 80 Cb 0.11 -2.05 -0.04 0.00 1.11 0.00 0.00 32.58 31.70 3adn s HIS 80 CO 0.57 -0.80 0.15 0.08 -0.85 0.00 0.00 174.74 173.90 3adn s VAL 81 N 1.25 5.48 0.00 -0.90 1.01 -0.95 0.83 120.40 127.12 3adn s VAL 81 Ca -0.04 0.24 0.08 0.00 0.00 0.00 0.00 61.98 62.26 3adn s VAL 81 Cb -0.19 -3.42 -0.02 0.00 0.00 0.00 0.00 36.38 32.75 3adn s VAL 81 CO -0.03 0.61 -0.26 -0.22 0.00 0.00 0.00 175.10 175.20 3adn s LEU 82 N -0.99 2.10 -0.20 3.92 1.98 0.09 -2.02 118.68 123.56 3adn s LEU 82 Ca 0.15 -0.50 -0.01 0.00 -2.89 0.00 0.00 54.13 50.88 3adn s LEU 82 Cb -0.12 -1.33 0.05 0.00 0.66 0.00 0.00 46.19 45.45 3adn s LEU 82 CO 0.04 0.30 -0.02 -0.63 -1.89 0.00 0.00 176.35 174.15 3adn s ILE 83 N -0.68 1.06 -0.22 6.68 1.01 0.13 -0.99 121.20 128.21 3adn s ILE 83 Ca 0.11 -0.82 -0.21 0.00 0.00 0.00 0.00 60.65 59.73 3adn s ILE 83 Cb -0.10 -1.38 -0.02 0.00 0.01 0.00 0.00 42.46 40.96 3adn s ILE 83 CO 0.00 -0.07 0.62 -0.63 0.00 0.00 0.00 174.94 174.87 3adn s ILE 84 N 1.62 5.01 0.00 2.92 -1.09 -0.06 -1.04 121.20 128.57 3adn s ILE 84 Ca -0.02 1.16 0.00 0.00 -2.23 0.00 0.00 60.65 59.56 3adn s ILE 84 Cb -0.17 -3.94 0.00 0.00 -1.58 0.00 0.00 42.46 36.77 3adn s ILE 84 CO -0.07 0.09 0.00 0.61 -1.23 0.00 0.00 174.94 174.34 3adn n GLY 85 N 3.92 -1.53 2.00 6.18 0.00 -0.65 -3.21 105.19 111.90 3adn n GLY 85 Ca -0.01 -1.31 -0.02 0.00 0.00 0.00 0.00 46.02 44.67 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 -0.14 0.19 -0.02 0.00 -1.26 -4.78 105.19 99.17 3adn n GLY 86 Ca 0.00 -0.01 0.05 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.10 0.00 2.00 -0.02 0.00 -1.95 -2.83 103.07 100.17 3adn h GLY 87 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.24 3adn h GLY 87 CO 0.11 0.00 0.00 1.29 0.00 0.00 0.00 176.54 177.94 3adn h ASP 88 N 0.00 0.00 -0.22 0.19 2.03 -1.90 -3.39 116.42 113.13 3adn h ASP 88 Ca -0.00 0.00 -0.09 0.00 -0.73 0.00 0.00 57.03 56.20 3adn h ASP 88 Cb 0.86 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 39.32 3adn h ASP 88 CO 0.05 0.00 -0.08 0.61 -1.03 0.00 0.00 179.24 178.79 3adn n GLY 89 N -0.45 0.61 0.16 7.15 0.00 -1.07 -3.34 105.19 108.25 3adn n GLY 89 Ca 0.00 -0.15 0.02 0.00 0.00 0.00 0.00 46.02 45.89 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 0.98 0.68 4.61 0.00 -1.84 -1.16 119.26 122.53 3adn h ALA 90 Ca -0.09 -0.45 -0.03 0.00 0.00 0.00 0.00 54.91 54.33 3adn h ALA 90 Cb 0.69 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.41 3adn h ALA 90 CO 0.14 0.62 -0.33 1.98 0.00 0.00 0.00 179.25 181.66 3adn h MET 91 N 0.00 -0.88 -0.80 0.00 -1.53 -1.89 -2.61 114.93 107.22 3adn h MET 91 Ca -0.00 0.06 0.18 0.00 -3.44 0.00 0.00 59.70 56.50 3adn h MET 91 Cb 1.01 0.20 -0.12 0.00 -0.55 0.00 0.00 31.60 32.14 3adn h MET 91 CO 0.06 -0.56 0.26 1.25 0.14 0.00 0.00 176.91 178.06 3adn h LEU 92 N -1.01 0.13 -0.70 3.39 5.85 -1.86 0.12 115.31 121.24 3adn h LEU 92 Ca -0.09 0.15 0.15 0.00 0.84 0.00 0.00 57.88 58.93 3adn h LEU 92 Cb 0.73 0.18 -0.11 0.00 0.37 0.00 0.00 40.66 41.82 3adn h LEU 92 CO 0.15 -0.02 0.08 -0.09 -0.34 0.00 0.00 178.44 178.22 3adn h ARG 93 N 0.32 0.17 -0.01 1.25 2.43 -0.86 -0.56 114.38 117.13 3adn h ARG 93 Ca 0.47 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.55 3adn h ARG 93 Cb 0.84 -0.04 0.01 0.00 -0.42 0.00 0.00 29.97 30.36 3adn h ARG 93 CO -0.52 0.11 -0.31 0.93 -1.51 0.00 0.00 179.97 178.67 3adn h GLU 94 N 0.18 0.22 -0.56 0.20 4.39 -0.46 -3.02 114.58 115.53 3adn h GLU 94 Ca 0.38 -0.23 0.10 0.00 0.34 0.00 0.00 59.36 59.96 3adn h GLU 94 Cb 0.65 0.06 -0.08 0.00 -0.10 0.00 0.00 28.75 29.28 3adn h GLU 94 CO -0.55 0.94 0.10 0.28 -1.16 0.00 0.00 179.01 178.62 3adn h VAL 95 N -0.40 0.65 -0.94 3.13 2.07 -0.97 0.24 116.25 120.03 3adn h VAL 95 Ca -0.04 -0.08 0.17 0.00 0.82 0.00 0.00 66.70 67.58 3adn h VAL 95 Cb 1.04 0.40 -0.08 0.00 -1.52 0.00 0.00 31.29 31.13 3adn h VAL 95 CO 0.06 0.04 0.60 0.74 0.02 0.00 0.00 177.57 179.03 3adn h THR 96 N 0.23 0.77 0.00 2.57 2.02 -1.16 0.77 112.91 118.10 3adn h THR 96 Ca 0.29 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 67.24 3adn h THR 96 Cb 0.43 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.88 3adn h THR 96 CO -0.39 0.12 0.00 -1.14 0.37 0.00 0.00 175.52 174.48 3adn n ARG 97 N -4.60 0.03 -3.34 6.66 0.63 0.07 -4.27 116.66 111.84 3adn n ARG 97 Ca 0.20 0.29 -0.44 0.00 -0.92 0.00 0.00 57.85 56.98 3adn n ARG 97 Cb 0.55 -1.50 -0.08 0.00 0.45 0.00 0.00 32.46 31.88 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 -2.62 3.19 0.07 -0.14 3.76 0.26 -4.98 115.29 114.83 3adn s HIS 98 Ca 0.02 -0.69 -0.25 0.00 -0.15 0.00 0.00 55.06 53.99 3adn s HIS 98 Cb 0.01 -3.11 -0.11 0.00 1.11 0.00 0.00 32.58 30.48 3adn s HIS 98 CO 0.03 -0.80 1.40 0.87 -0.85 0.00 0.00 174.74 175.39 3adn h LYS 99 N 8.78 -0.60 0.00 1.40 1.57 -1.85 -2.68 116.57 123.20 3adn h LYS 99 Ca -0.28 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 3adn h LYS 99 Cb 1.11 0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.55 3adn h LYS 99 CO 0.86 -0.40 0.53 -0.91 -0.57 0.00 0.00 179.45 178.97 3adn h ASN 100 N -0.62 0.00 -3.07 0.86 4.21 -1.94 -3.40 115.58 111.63 3adn h ASN 100 Ca -0.02 0.00 -0.54 0.00 1.21 0.00 0.00 56.30 56.95 3adn h ASN 100 Cb 0.58 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.77 3adn h ASN 100 CO -0.14 0.00 0.69 -0.69 -1.29 0.00 0.00 177.43 176.00 3adn s VAL 101 N -3.58 3.98 -0.06 2.81 1.01 -1.01 -4.69 120.40 118.87 3adn s VAL 101 Ca -0.01 1.37 0.09 0.00 0.00 0.00 0.00 61.98 63.43 3adn s VAL 101 Cb 0.04 -3.88 -0.13 0.00 0.00 0.00 0.00 36.38 32.40 3adn s VAL 101 CO 0.11 0.04 0.11 -1.84 0.00 0.00 0.00 175.10 173.52 3adn n GLU 102 N 4.76 1.60 -4.87 2.72 0.28 -0.69 -5.00 120.64 119.44 3adn n GLU 102 Ca 0.11 -0.04 -0.29 0.00 -0.16 0.00 0.00 57.16 56.78 3adn n GLU 102 Cb 0.45 -1.24 -0.15 0.00 1.43 0.00 0.00 31.44 31.94 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 -3.75 2.92 -0.13 -1.84 0.15 -0.90 -4.70 113.70 105.44 3adn s SER 103 Ca -0.04 -0.55 -0.08 0.00 0.70 0.00 0.00 55.95 55.98 3adn s SER 103 Cb 0.04 -0.27 0.05 0.00 -1.71 0.00 0.00 66.02 64.13 3adn s SER 103 CO 0.40 0.23 0.32 -0.63 1.20 0.00 0.00 173.24 174.77 3adn s ILE 104 N -0.77 -0.03 -0.02 6.45 1.01 -1.20 -2.23 121.20 124.42 3adn s ILE 104 Ca 0.10 0.10 0.02 0.00 0.00 0.00 0.00 60.65 60.87 3adn s ILE 104 Cb -0.10 -0.48 0.00 0.00 0.01 0.00 0.00 42.46 41.90 3adn s ILE 104 CO 0.02 0.04 -0.07 -0.89 0.00 0.00 0.00 174.94 174.04 3adn s THR 105 N 1.11 0.58 -0.32 2.92 2.01 -0.86 -2.09 115.64 119.00 3adn s THR 105 Ca -0.08 -0.26 0.02 0.00 0.31 0.00 0.00 61.69 61.69 3adn s THR 105 Cb -0.08 -0.53 0.09 0.00 0.01 0.00 0.00 72.50 72.00 3adn s THR 105 CO -0.09 0.19 0.05 -0.32 -0.69 0.00 0.00 174.62 173.76 3adn s MET 106 N 0.18 1.31 -0.11 4.92 0.00 -0.70 0.23 119.30 125.12 3adn s MET 106 Ca -0.02 -1.54 -0.27 0.00 0.00 0.00 0.00 55.69 53.86 3adn s MET 106 Cb -0.07 -2.78 -0.02 0.00 0.00 0.00 0.00 34.83 31.96 3adn s MET 106 CO -0.00 -0.90 0.91 0.08 0.00 0.00 0.00 175.02 175.11 3adn s VAL 107 N 1.16 4.85 -0.01 10.11 1.01 -0.21 -2.10 120.40 135.21 3adn s VAL 107 Ca 0.08 1.84 0.01 0.00 0.00 0.00 0.00 61.98 63.91 3adn s VAL 107 Cb -0.19 -4.23 0.01 0.00 0.00 0.00 0.00 36.38 31.98 3adn s VAL 107 CO -0.13 0.05 -0.04 -0.70 0.00 0.00 0.00 175.10 174.29 3adn s GLU 108 N 1.85 0.41 -0.09 2.72 2.56 -0.37 -1.64 118.70 124.14 3adn s GLU 108 Ca 0.44 -0.11 -0.25 0.00 0.00 0.00 0.00 54.97 55.06 3adn s GLU 108 Cb -0.18 -0.44 -0.29 0.00 2.00 0.00 0.00 34.13 35.22 3adn s GLU 108 CO 0.17 0.03 0.81 0.97 -0.56 0.00 0.00 175.26 176.68 3adn h ILE 109 N 5.42 1.61 -1.41 -3.70 6.09 -1.83 -2.94 117.51 120.74 3adn h ILE 109 Ca -0.32 -2.45 -0.60 0.00 -1.37 0.00 0.00 64.86 60.13 3adn h ILE 109 Cb 1.18 3.25 -0.10 0.00 0.47 0.00 0.00 36.82 41.61 3adn h ILE 109 CO 0.49 0.66 1.38 -1.81 -3.07 0.00 0.00 178.15 175.80 3adn s ASP 110 N -6.65 6.45 0.66 2.19 1.01 -1.26 -4.81 116.67 114.25 3adn s ASP 110 Ca -0.16 -1.31 0.41 0.00 0.71 0.00 0.00 52.55 52.20 3adn s ASP 110 Cb -0.01 -2.56 2.27 0.00 1.01 0.00 0.00 42.92 43.63 3adn s ASP 110 CO 0.76 -1.54 2.30 0.00 0.21 0.00 0.00 175.17 176.91 3adn h ALA 111 N 9.78 1.12 0.08 5.23 0.00 -1.99 -2.63 119.26 130.85 3adn h ALA 111 Ca 0.11 -0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.69 3adn h ALA 111 Cb 1.02 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 3adn h ALA 111 CO 1.38 -0.05 -1.83 0.78 0.00 0.00 0.00 179.25 179.53 3adn h GLY 112 N 0.00 0.20 2.00 0.00 0.00 -1.98 -3.38 103.07 99.91 3adn h GLY 112 Ca 0.00 -0.51 -0.02 0.00 0.00 0.00 0.00 47.33 46.80 3adn h GLY 112 CO -0.00 0.45 -0.10 -0.24 0.00 0.00 0.00 176.54 176.64 3adn h VAL 113 N 0.05 0.84 0.00 4.60 3.04 -1.87 -1.85 116.25 121.05 3adn h VAL 113 Ca -0.35 -0.39 -0.06 0.00 -1.01 0.00 0.00 66.70 64.89 3adn h VAL 113 Cb 2.03 1.23 -0.01 0.00 -2.01 0.00 0.00 31.29 32.53 3adn h VAL 113 CO 0.10 0.10 -0.28 -0.37 -1.01 0.00 0.00 177.57 176.11 3adn h VAL 114 N 0.00 0.95 0.09 1.51 -1.51 -1.73 -1.66 116.25 113.90 3adn h VAL 114 Ca -0.00 -1.04 -0.36 0.00 -1.23 0.00 0.00 66.70 64.07 3adn h VAL 114 Cb 0.22 1.60 -0.03 0.00 -2.13 0.00 0.00 31.29 30.95 3adn h VAL 114 CO 0.01 0.27 -2.08 -1.54 -1.23 0.00 0.00 177.57 173.00 3adn n SER 115 N -3.86 1.93 -0.08 4.19 3.41 -0.83 -3.00 113.62 115.38 3adn n SER 115 Ca -0.02 0.15 -0.08 0.00 -0.26 0.00 0.00 58.87 58.66 3adn n SER 115 Cb 0.36 -0.65 -0.01 0.00 -0.26 0.00 0.00 64.21 63.65 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 0.27 0.00 7.33 0.04 -1.32 0.10 116.94 123.40 3adn h PHE 116 Ca -0.45 0.01 -0.06 0.00 2.80 0.00 0.00 57.97 60.27 3adn h PHE 116 Cb 2.01 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 40.07 3adn h PHE 116 CO 0.06 0.15 -0.29 0.00 -0.60 0.00 0.00 178.31 177.63 3adn h ARG 118 N 0.00 0.00 0.03 0.00 2.43 -1.26 -1.14 114.38 114.44 3adn h ARG 118 Ca -0.00 0.00 -0.26 0.00 -0.81 0.00 0.00 59.98 58.91 3adn h ARG 118 Cb 0.72 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.24 3adn h ARG 118 CO 0.04 0.38 -1.42 0.94 -1.51 0.00 0.00 179.97 178.40 3adn n GLN 119 N -3.36 0.60 0.01 0.20 7.27 -0.05 -4.41 117.38 117.64 3adn n GLN 119 Ca 0.01 0.51 -0.11 0.00 0.07 0.00 0.00 57.00 57.48 3adn n GLN 119 Cb 0.58 -1.74 -0.14 0.00 2.41 0.00 0.00 30.24 31.35 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 -0.79 0.15 -3.05 3.69 0.05 -0.57 -3.40 116.97 113.05 3adn h TYR 120 Ca -0.37 -0.11 -0.69 0.00 0.05 0.00 0.00 58.73 57.61 3adn h TYR 120 Cb 1.45 -0.01 -0.36 0.00 1.01 0.00 0.00 36.73 38.83 3adn h TYR 120 CO 0.09 1.17 -0.10 1.28 -1.05 0.00 0.00 178.16 179.55 3adn n LEU 121 N -3.23 4.34 -0.09 3.88 4.77 -0.43 -4.88 117.00 121.36 3adn n LEU 121 Ca -0.16 -5.21 -0.13 0.00 -0.03 0.00 0.00 56.01 50.49 3adn n LEU 121 Cb 1.03 -1.02 -0.01 0.00 -2.33 0.00 0.00 43.42 41.09 3adn n LEU 121 CO 0.46 1.68 0.51 1.55 -1.33 0.00 0.00 177.39 180.27 3adn h PRO 122 N 5.54 0.88 0.00 3.23 0.13 -1.77 -3.11 132.00 136.90 3adn h PRO 122 Ca 0.17 -0.49 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 3adn h PRO 122 Cb 0.75 0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.91 3adn h PRO 122 CO 0.91 1.13 0.00 -0.91 -0.23 0.00 0.00 178.00 178.90 3adn h ASN 123 N 0.70 0.00 -0.01 1.44 4.21 -1.92 0.13 115.58 120.14 3adn h ASN 123 Ca 0.04 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.55 3adn h ASN 123 Cb 1.03 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.23 3adn h ASN 123 CO 0.10 0.00 -0.03 0.45 -1.29 0.00 0.00 177.43 176.66 3adn h HIS 124 N 0.00 0.04 0.23 1.19 3.86 -1.82 -3.32 115.15 115.32 3adn h HIS 124 Ca 0.00 -0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.18 3adn h HIS 124 Cb 0.45 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.92 3adn h HIS 124 CO 0.00 0.71 -0.11 -0.97 0.86 0.00 0.00 177.93 178.42 3adn h ASN 125 N -0.64 -0.26 -3.92 2.45 -0.00 -1.51 -3.22 115.58 108.48 3adn h ASN 125 Ca -0.00 -0.17 -0.39 0.00 -0.00 0.00 0.00 56.30 55.73 3adn h ASN 125 Cb 0.71 0.07 0.01 0.00 -0.00 0.00 0.00 38.32 39.11 3adn h ASN 125 CO 0.01 0.04 -0.55 0.00 -0.00 0.00 0.00 177.43 176.93 3adn n ALA 126 N -2.38 -0.83 -2.89 1.57 0.00 0.44 -1.46 120.51 114.97 3adn n ALA 126 Ca -0.09 0.21 -0.14 0.00 0.00 0.00 0.00 53.44 53.41 3adn n ALA 126 Cb 0.23 -2.90 0.03 0.00 0.00 0.00 0.00 19.45 16.81 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 -1.23 -0.01 0.08 0.00 0.00 -1.26 -4.92 105.19 97.85 3adn n GLY 127 Ca -0.16 -0.18 -0.06 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 -1.16 0.00 0.71 1.61 0.87 -1.61 -3.30 113.55 110.67 3adn h SER 128 Ca -0.33 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.23 3adn h SER 128 Cb 1.22 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.18 3adn h SER 128 CO 0.34 0.90 0.00 1.88 -0.53 0.00 0.00 176.83 179.43 3adn h TYR 129 N 0.00 0.00 0.00 2.24 0.05 -1.91 -2.34 116.97 115.00 3adn h TYR 129 Ca -0.15 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.63 3adn h TYR 129 Cb 1.82 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.56 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 -3.08 0.47 -4.74 3.88 8.00 -1.24 -4.82 116.55 115.02 3adn n ASP 130 Ca -0.00 0.57 -0.42 0.00 0.71 0.00 0.00 54.79 55.65 3adn n ASP 130 Cb 0.23 -0.69 -0.02 0.00 -0.02 0.00 0.00 41.12 40.62 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 -3.88 6.52 0.45 -2.24 2.15 -0.88 -4.91 116.67 113.88 3adn s ASP 131 Ca 0.09 2.77 0.21 0.00 0.43 0.00 0.00 52.55 56.06 3adn s ASP 131 Cb 0.13 -2.62 1.06 0.00 -0.30 0.00 0.00 42.92 41.19 3adn s ASP 131 CO 0.48 -0.82 1.93 1.55 -0.17 0.00 0.00 175.17 178.14 3adn h PRO 132 N 5.42 0.00 0.00 4.34 0.13 -1.90 -3.04 132.00 136.95 3adn h PRO 132 Ca -0.45 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.56 3adn h PRO 132 Cb 1.21 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 3adn h PRO 132 CO 0.82 0.24 -0.54 0.00 -0.23 0.00 0.00 178.00 178.29 3adn h ARG 133 N 0.00 0.00 -7.15 0.86 3.08 -1.91 -3.46 114.38 105.81 3adn h ARG 133 Ca -0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.51 3adn h ARG 133 Cb 0.54 0.00 0.14 0.00 0.08 0.00 0.00 29.97 30.73 3adn h ARG 133 CO 0.03 0.54 0.43 0.12 -1.07 0.00 0.00 179.97 180.02 3adn s PHE 134 N -3.70 2.19 -0.18 3.04 5.36 -1.15 -3.24 117.98 120.31 3adn s PHE 134 Ca -0.01 1.56 -0.09 0.00 -0.96 0.00 0.00 56.93 57.43 3adn s PHE 134 Cb 0.13 -3.48 0.06 0.00 -0.34 0.00 0.00 43.02 39.39 3adn s PHE 134 CO 0.74 -2.47 0.42 0.21 -1.46 0.00 0.00 175.22 172.66 3adn s LYS 135 N -3.70 0.39 -0.18 10.12 2.20 -0.89 -4.94 119.74 122.73 3adn s LYS 135 Ca 0.76 0.84 -0.08 0.00 -0.36 0.00 0.00 55.97 57.13 3adn s LYS 135 Cb -0.30 0.04 -0.04 0.00 -1.51 0.00 0.00 37.83 36.02 3adn s LYS 135 CO 0.41 -0.17 0.07 -1.17 -0.36 0.00 0.00 175.35 174.12 3adn s LEU 136 N 1.61 3.83 -0.04 5.43 2.96 -1.26 -1.73 118.68 129.49 3adn s LEU 136 Ca -0.08 0.08 0.06 0.00 -0.22 0.00 0.00 54.13 53.97 3adn s LEU 136 Cb -0.09 -1.97 -0.01 0.00 0.50 0.00 0.00 46.19 44.62 3adn s LEU 136 CO -0.13 0.17 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.18 3adn s VAL 137 N 0.40 1.67 -0.35 1.68 1.01 -0.89 -4.96 120.40 118.96 3adn s VAL 137 Ca 0.03 -0.87 0.04 0.00 0.00 0.00 0.00 61.98 61.18 3adn s VAL 137 Cb -0.12 -1.41 0.10 0.00 0.00 0.00 0.00 36.38 34.94 3adn s VAL 137 CO 0.00 0.47 0.06 -0.63 0.00 0.00 0.00 175.10 175.01 3adn s ILE 138 N -0.20 2.33 0.37 2.22 1.09 -1.26 -1.24 121.20 124.51 3adn s ILE 138 Ca 0.00 -2.37 -0.09 0.00 -1.10 0.00 0.00 60.65 57.10 3adn s ILE 138 Cb -0.11 -2.71 0.03 0.00 -1.06 0.00 0.00 42.46 38.61 3adn s ILE 138 CO 0.02 -0.61 0.63 -0.62 -0.10 0.00 0.00 174.94 174.26 3adn s ASP 139 N 0.90 0.48 0.02 3.58 2.15 -1.11 -4.96 116.67 117.73 3adn s ASP 139 Ca 0.11 -1.32 -0.04 0.00 0.43 0.00 0.00 52.55 51.73 3adn s ASP 139 Cb -0.19 0.76 -0.01 0.00 -0.30 0.00 0.00 42.92 43.18 3adn s ASP 139 CO -0.08 -1.50 1.06 -0.67 -0.17 0.00 0.00 175.17 173.82 3adn n ASP 140 N -1.42 -0.14 0.00 -0.34 2.03 -1.26 -3.91 116.55 111.51 3adn n ASP 140 Ca -0.04 1.10 0.00 0.00 0.52 0.00 0.00 54.79 56.37 3adn n ASP 140 Cb 0.61 -0.46 0.00 0.00 -0.72 0.00 0.00 41.12 40.54 3adn n ASP 140 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3adn n GLY 141 N -1.03 0.98 1.22 0.27 0.00 -1.26 -4.67 105.19 100.69 3adn n GLY 141 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.09 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 1.33 -2.92 1.61 0.24 -1.26 -5.05 118.33 112.28 3adn n VAL 142 Ca 0.00 -0.83 0.00 0.00 -2.04 0.00 0.00 64.34 61.47 3adn n VAL 142 Cb 0.00 -0.04 0.00 0.00 -1.47 0.00 0.00 33.84 32.33 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 0.68 0.00 -0.27 -1.34 0.23 -1.26 -4.76 115.26 108.53 3adn n ASN 143 Ca 0.18 -0.05 0.08 0.00 -0.53 0.00 0.00 54.58 54.27 3adn n ASN 143 Cb 0.68 0.00 0.23 0.00 -2.08 0.00 0.00 39.78 38.61 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 0.34 0.00 -3.83 4.15 -2.03 -3.49 115.11 110.24 3adn h GLN 147 Ca 0.00 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.40 3adn h GLN 147 Cb 0.00 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 27.61 3adn h GLN 147 CO 0.00 0.22 0.00 0.25 -1.93 0.00 0.00 178.83 177.37 3adn n THR 148 N -5.09 0.00 -3.00 2.39 -2.24 -1.26 -4.42 114.28 100.67 3adn n THR 148 Ca 0.17 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.73 3adn n THR 148 Cb 0.53 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.78 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 -5.72 -0.01 3.42 2.88 -1.26 -4.89 113.62 108.05 3adn n SER 149 Ca 0.00 -0.26 -0.14 0.00 -1.33 0.00 0.00 58.87 57.13 3adn n SER 149 Cb 0.00 -4.65 -0.14 0.00 -0.75 0.00 0.00 64.21 58.67 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 -3.87 0.69 -1.50 -1.46 7.27 -1.26 -5.09 117.38 112.16 3adn n GLN 150 Ca -0.11 0.28 0.00 0.00 0.07 0.00 0.00 57.00 57.24 3adn n GLN 150 Cb 0.62 -1.76 0.00 0.00 2.41 0.00 0.00 30.24 31.51 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 -3.24 -8.45 -4.47 1.69 -1.04 -1.26 -5.08 114.28 92.43 3adn n THR 151 Ca -0.23 2.23 -0.22 0.00 -2.04 0.00 0.00 64.05 63.79 3adn n THR 151 Cb 1.05 -3.97 -0.10 0.00 -1.82 0.00 0.00 70.33 65.48 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 -0.73 1.97 -0.23 -1.42 0.08 -0.74 -4.91 117.98 112.00 3adn s PHE 152 Ca 0.00 -0.97 0.11 0.00 0.12 0.00 0.00 56.93 56.18 3adn s PHE 152 Cb 0.00 -1.30 -0.21 0.00 -0.57 0.00 0.00 43.02 40.94 3adn s PHE 152 CO 0.00 0.00 -0.06 -0.25 -0.10 0.00 0.00 175.22 174.81 3adn n ASP 153 N -0.76 0.90 -3.82 1.36 8.00 0.24 -0.78 116.55 121.70 3adn n ASP 153 Ca -0.03 -0.06 -0.18 0.00 0.71 0.00 0.00 54.79 55.23 3adn n ASP 153 Cb 0.66 0.37 -0.16 0.00 -0.02 0.00 0.00 41.12 41.97 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 -2.50 0.23 -0.15 2.53 1.01 -1.15 -0.86 120.40 119.52 3adn s VAL 154 Ca -0.21 0.07 -0.01 0.00 0.00 0.00 0.00 61.98 61.82 3adn s VAL 154 Cb 0.07 -0.32 -0.02 0.00 0.00 0.00 0.00 36.38 36.12 3adn s VAL 154 CO 0.72 0.16 -0.11 -0.63 0.00 0.00 0.00 175.10 175.25 3adn s ILE 155 N 1.07 3.22 -0.28 2.22 1.01 0.28 -0.73 121.20 127.99 3adn s ILE 155 Ca -0.09 -0.59 0.02 0.00 0.00 0.00 0.00 60.65 59.99 3adn s ILE 155 Cb -0.14 -2.38 0.07 0.00 0.01 0.00 0.00 42.46 40.02 3adn s ILE 155 CO -0.02 0.51 -0.06 -0.63 0.00 0.00 0.00 174.94 174.74 3adn s ILE 156 N 0.49 2.34 0.40 2.92 1.01 -0.16 -1.77 121.20 126.44 3adn s ILE 156 Ca -0.08 -1.71 0.08 0.00 0.00 0.00 0.00 60.65 58.94 3adn s ILE 156 Cb -0.15 -2.43 -0.03 0.00 0.01 0.00 0.00 42.46 39.85 3adn s ILE 156 CO 0.04 -0.14 0.29 -0.55 0.00 0.00 0.00 174.94 174.58 3adn s SER 157 N 1.11 4.86 0.00 3.58 0.15 -0.94 -0.88 113.70 121.59 3adn s SER 157 Ca -0.05 -0.82 0.02 0.00 0.70 0.00 0.00 55.95 55.80 3adn s SER 157 Cb -0.20 -0.60 0.04 0.00 -1.71 0.00 0.00 66.02 63.56 3adn s SER 157 CO -0.05 -0.56 1.00 0.47 1.20 0.00 0.00 173.24 175.29 3adn n ASP 158 N -1.41 2.05 -0.78 5.45 8.00 -1.20 -3.11 116.55 125.56 3adn n ASP 158 Ca 0.01 -1.92 0.08 0.00 0.71 0.00 0.00 54.79 53.67 3adn n ASP 158 Cb 0.62 -0.03 -0.02 0.00 -0.02 0.00 0.00 41.12 41.67 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 -2.59 0.00 -4.41 0.00 7.35 -1.26 -5.07 117.46 111.48 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 0.57 0.00 -0.09 0.00 0.35 0.00 0.00 39.48 40.31 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 0.49 0.12 -2.13 -1.32 -1.26 -4.98 115.64 106.56 3adn s THR 171 Ca 0.00 -2.00 -0.29 0.00 -1.21 0.00 0.00 61.69 58.19 3adn s THR 171 Cb 0.00 -2.47 -0.08 0.00 -1.51 0.00 0.00 72.50 68.44 3adn s THR 171 CO 0.00 0.00 1.60 0.28 -2.21 0.00 0.00 174.62 174.29 3adn h SER 172 N 2.03 -1.07 -0.03 8.08 0.02 -2.00 -3.03 113.55 117.55 3adn h SER 172 Ca -0.34 0.13 0.02 0.00 -0.84 0.00 0.00 61.79 60.75 3adn h SER 172 Cb 1.26 0.41 -0.05 0.00 0.14 0.00 0.00 62.40 64.16 3adn h SER 172 CO 0.54 -0.43 -0.43 0.00 -1.14 0.00 0.00 176.83 175.37 3adn h ALA 173 N 0.04 -0.84 -0.93 3.77 0.00 -1.99 -0.60 119.26 118.72 3adn h ALA 173 Ca 0.04 -0.06 0.22 0.00 0.00 0.00 0.00 54.91 55.10 3adn h ALA 173 Cb 0.62 0.88 -0.12 0.00 0.00 0.00 0.00 17.79 19.16 3adn h ALA 173 CO -0.24 -0.98 0.48 0.35 0.00 0.00 0.00 179.25 178.86 3adn h PHE 174 N -0.51 0.81 -0.05 0.00 3.57 -1.88 -0.47 116.94 118.41 3adn h PHE 174 Ca 0.01 0.04 -0.20 0.00 3.53 0.00 0.00 57.97 61.35 3adn h PHE 174 Cb 0.56 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 39.08 3adn h PHE 174 CO -0.51 0.04 -0.80 1.88 -2.23 0.00 0.00 178.31 176.69 3adn h TYR 175 N 0.51 0.56 -0.60 0.41 0.05 -1.34 -1.48 116.97 115.08 3adn h TYR 175 Ca 0.58 -0.27 -0.01 0.00 0.05 0.00 0.00 58.73 59.08 3adn h TYR 175 Cb 1.05 -0.08 -0.03 0.00 1.01 0.00 0.00 36.73 38.69 3adn h TYR 175 CO -0.08 1.05 0.34 1.49 -1.05 0.00 0.00 178.16 179.91 3adn h GLU 176 N 0.26 0.82 0.02 4.88 4.81 0.42 -1.61 114.58 124.17 3adn h GLU 176 Ca -0.05 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.11 3adn h GLU 176 Cb 1.40 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.61 3adn h GLU 176 CO 0.14 0.59 -0.01 0.78 -0.73 0.00 0.00 179.01 179.78 3adn h GLY 177 N 0.88 -0.02 0.69 1.92 0.00 -1.07 -1.88 103.07 103.59 3adn h GLY 177 Ca 0.21 0.01 0.16 0.00 0.00 0.00 0.00 47.33 47.71 3adn h GLY 177 CO -0.04 -0.01 0.50 0.00 0.00 0.00 0.00 176.54 177.00 3adn h LYS 179 N 0.00 0.16 -0.84 0.00 3.64 -1.20 -3.32 116.57 115.02 3adn h LYS 179 Ca 0.26 -0.28 0.16 0.00 -1.27 0.00 0.00 60.65 59.52 3adn h LYS 179 Cb 1.27 0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 33.13 3adn h LYS 179 CO -0.00 1.13 0.55 -0.09 -2.27 0.00 0.00 179.45 178.77 3adn h ARG 180 N -0.60 0.51 -1.13 1.90 1.12 -0.26 -1.28 114.38 114.65 3adn h ARG 180 Ca -0.19 -0.03 -0.66 0.00 -1.11 0.00 0.00 59.98 57.99 3adn h ARG 180 Cb 1.47 -0.11 -0.33 0.00 -0.01 0.00 0.00 29.97 30.99 3adn h ARG 180 CO 0.03 0.34 0.43 0.00 -3.11 0.00 0.00 179.97 177.66 3adn s LEU 182 N -3.80 2.11 0.86 0.00 2.96 -0.49 -1.79 118.68 118.54 3adn s LEU 182 Ca 0.59 -0.38 -0.11 0.00 -0.22 0.00 0.00 54.13 54.02 3adn s LEU 182 Cb 0.47 -0.66 0.11 0.00 0.50 0.00 0.00 46.19 46.61 3adn s LEU 182 CO -0.07 0.09 1.11 0.20 -1.32 0.00 0.00 176.35 176.36 3adn s ASN 183 N -0.82 3.64 0.62 3.68 -0.87 0.04 -4.85 114.94 116.39 3adn s ASN 183 Ca 0.03 1.88 0.28 0.00 -1.57 0.00 0.00 52.86 53.48 3adn s ASN 183 Cb -0.07 -2.47 1.43 0.00 -0.02 0.00 0.00 41.25 40.12 3adn s ASN 183 CO 0.01 -2.59 1.83 -0.65 -2.57 0.00 0.00 177.10 173.13 3adn h PRO 184 N -1.52 0.00 0.00 -0.60 0.11 -1.97 -1.85 132.00 126.17 3adn h PRO 184 Ca -0.45 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 3adn h PRO 184 Cb 1.26 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.32 3adn h PRO 184 CO 0.48 0.00 -0.36 0.41 -0.21 0.00 0.00 178.00 178.32 3adn n GLY 185 N -1.42 2.98 3.75 -0.55 0.00 -1.26 -4.73 105.19 103.96 3adn n GLY 185 Ca 0.05 -0.74 -0.31 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.19 1.78 0.07 -0.02 0.00 -0.70 -4.82 107.32 101.45 3adn s GLY 186 Ca 0.22 0.40 0.10 0.00 0.00 0.00 0.00 44.72 45.44 3adn s GLY 186 CO -0.02 0.77 -0.26 -0.42 0.00 0.00 0.00 173.10 173.17 3adn s ILE 187 N -2.72 2.12 -0.13 0.90 1.01 -0.03 -4.29 121.20 118.05 3adn s ILE 187 Ca 0.64 -1.48 0.01 0.00 0.00 0.00 0.00 60.65 59.81 3adn s ILE 187 Cb -0.19 -1.83 0.02 0.00 0.01 0.00 0.00 42.46 40.46 3adn s ILE 187 CO 0.54 0.26 -0.14 0.12 0.00 0.00 0.00 174.94 175.72 3adn s PHE 188 N -0.89 2.02 0.24 3.97 5.36 0.49 -0.55 117.98 128.61 3adn s PHE 188 Ca 0.12 -1.06 0.11 0.00 -0.96 0.00 0.00 56.93 55.13 3adn s PHE 188 Cb -0.10 -1.49 -0.05 0.00 -0.34 0.00 0.00 43.02 41.04 3adn s PHE 188 CO 0.03 -0.59 -0.20 0.14 -1.46 0.00 0.00 175.22 173.15 3adn s VAL 189 N 1.35 2.24 -0.12 3.12 -7.23 -0.73 -0.62 120.40 118.42 3adn s VAL 189 Ca 0.01 -2.25 -0.29 0.00 -1.81 0.00 0.00 61.98 57.64 3adn s VAL 189 Cb -0.13 -2.17 0.08 0.00 0.56 0.00 0.00 36.38 34.71 3adn s VAL 189 CO -0.07 -0.37 0.72 0.00 -0.31 0.00 0.00 175.10 175.07 3adn s ALA 190 N -2.39 -1.79 -0.06 1.32 0.00 -1.01 -2.21 121.76 115.63 3adn s ALA 190 Ca 0.25 1.53 -0.30 0.00 0.00 0.00 0.00 51.96 53.44 3adn s ALA 190 Cb -0.05 -0.38 -0.03 0.00 0.00 0.00 0.00 23.12 22.66 3adn s ALA 190 CO 0.12 -0.35 1.23 -1.14 0.00 0.00 0.00 175.76 175.61 3adn s GLN 191 N -0.77 4.33 -0.25 0.00 -0.44 -1.18 0.46 119.66 121.81 3adn s GLN 191 Ca -0.07 1.71 0.09 0.00 -2.50 0.00 0.00 55.36 54.59 3adn s GLN 191 Cb -0.01 -3.58 0.44 0.00 -1.64 0.00 0.00 33.01 28.22 3adn s GLN 191 CO 0.07 -0.49 1.25 -1.71 0.50 0.00 0.00 175.29 174.91 3adn n ASN 192 N 5.37 2.83 -0.99 6.67 4.05 0.12 -4.61 115.26 128.70 3adn n ASN 192 Ca 0.12 -3.85 0.13 0.00 0.45 0.00 0.00 54.58 51.42 3adn n ASN 192 Cb 0.46 -0.49 -0.05 0.00 1.23 0.00 0.00 39.78 40.93 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 -1.00 -2.40 3.69 8.20 0.00 -1.24 -4.57 105.19 107.88 3adn n GLY 193 Ca 0.29 -1.23 -0.42 0.00 0.00 0.00 0.00 46.02 44.65 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 -2.82 4.68 -0.34 1.61 0.11 -1.26 0.17 120.40 122.55 3adn s VAL 194 Ca 0.00 1.95 -0.11 0.00 -2.93 0.00 0.00 61.98 60.89 3adn s VAL 194 Cb 0.00 -4.25 -0.00 0.00 -1.53 0.00 0.00 36.38 30.59 3adn s VAL 194 CO 0.00 0.03 0.19 0.00 -3.33 0.00 0.00 175.10 171.99 3adn n PHE 196 N 5.02 -0.05 0.44 0.00 7.35 -1.26 -4.68 117.46 124.28 3adn n PHE 196 Ca -0.13 0.00 0.11 0.00 -0.76 0.00 0.00 57.45 56.67 3adn n PHE 196 Cb 0.49 0.01 0.00 0.00 0.35 0.00 0.00 39.48 40.33 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 -0.95 0.59 -3.52 -2.13 4.77 -1.26 -4.94 117.00 109.56 3adn n LEU 197 Ca 0.00 0.04 -0.17 0.00 -0.03 0.00 0.00 56.01 55.85 3adn n LEU 197 Cb 0.00 -0.08 -0.06 0.00 -2.33 0.00 0.00 43.42 40.95 3adn n LEU 197 CO 0.00 0.00 0.41 -1.58 -1.33 0.00 0.00 177.39 174.90 3adn s GLN 198 N -3.25 1.06 0.00 3.23 -0.44 -1.26 -5.05 119.66 113.94 3adn s GLN 198 Ca 0.02 0.17 0.00 0.00 -2.50 0.00 0.00 55.36 53.05 3adn s GLN 198 Cb 0.14 0.50 0.00 0.00 -1.64 0.00 0.00 33.01 32.00 3adn s GLN 198 CO 0.81 -0.34 0.61 1.04 0.50 0.00 0.00 175.29 177.91 3adn n GLN 199 N 0.81 0.00 0.13 1.67 3.00 -1.26 -4.50 117.38 117.22 3adn n GLN 199 Ca -0.19 -0.56 -0.00 0.00 -0.01 0.00 0.00 57.00 56.23 3adn n GLN 199 Cb 0.58 -0.39 0.27 0.00 0.00 0.00 0.00 30.24 30.69 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 0.13 -0.66 -1.09 3.07 -1.98 -2.62 114.58 111.43 3adn h GLU 200 Ca 0.00 -0.06 -0.06 0.00 -0.50 0.00 0.00 59.36 58.74 3adn h GLU 200 Cb 1.14 -0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.02 3adn h GLU 200 CO 0.00 0.53 0.16 0.93 -1.40 0.00 0.00 179.01 179.23 3adn h GLU 201 N 0.11 1.06 -0.60 2.33 5.08 -1.94 0.10 114.58 120.72 3adn h GLU 201 Ca 0.01 -0.26 -0.06 0.00 -1.00 0.00 0.00 59.36 58.06 3adn h GLU 201 Cb 0.79 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 3adn h GLU 201 CO 0.06 0.95 0.15 0.00 -1.00 0.00 0.00 179.01 179.17 3adn h ALA 202 N 1.06 0.79 -0.64 3.43 0.00 -1.80 0.92 119.26 123.02 3adn h ALA 202 Ca 0.21 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 3adn h ALA 202 Cb 0.37 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3adn h ALA 202 CO 0.00 0.49 0.07 0.82 0.00 0.00 0.00 179.25 180.64 3adn h ILE 203 N 0.87 1.26 -0.05 0.00 2.04 -1.19 -0.44 117.51 120.00 3adn h ILE 203 Ca 0.19 -1.07 -0.01 0.00 1.00 0.00 0.00 64.86 64.97 3adn h ILE 203 Cb 0.35 0.71 -0.00 0.00 -0.74 0.00 0.00 36.82 37.13 3adn h ILE 203 CO 0.00 0.40 -0.01 -0.78 0.00 0.00 0.00 178.15 177.76 3adn h ASP 204 N 0.99 0.09 -0.30 1.72 3.58 -0.49 -1.69 116.42 120.32 3adn h ASP 204 Ca 0.19 -0.37 0.04 0.00 0.42 0.00 0.00 57.03 57.30 3adn h ASP 204 Cb 0.48 -0.02 -0.04 0.00 1.72 0.00 0.00 39.33 41.47 3adn h ASP 204 CO 0.02 0.44 0.09 0.28 -2.88 0.00 0.00 179.24 177.19 3adn h SER 205 N -0.26 0.08 -0.90 2.28 0.02 -0.74 -1.55 113.55 112.47 3adn h SER 205 Ca 0.01 0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 61.00 3adn h SER 205 Cb 0.40 0.04 -0.04 0.00 0.14 0.00 0.00 62.40 62.94 3adn h SER 205 CO 0.00 0.08 0.55 -0.74 -1.14 0.00 0.00 176.83 175.59 3adn h HIS 206 N 0.21 1.18 -0.76 3.45 -0.00 -1.07 0.27 115.15 118.43 3adn h HIS 206 Ca 0.14 0.00 -0.05 0.00 -0.00 0.00 0.00 60.37 60.46 3adn h HIS 206 Cb 0.12 -0.39 -0.03 0.00 -0.00 0.00 0.00 27.41 27.11 3adn h HIS 206 CO -0.15 0.78 0.29 -0.09 -0.00 0.00 0.00 177.93 178.76 3adn h ARG 207 N 1.24 1.14 0.27 5.26 2.43 -0.80 -1.89 114.38 122.03 3adn h ARG 207 Ca 0.32 -0.21 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 3adn h ARG 207 Cb -0.07 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.30 3adn h ARG 207 CO -0.06 0.94 -0.13 0.87 -1.51 0.00 0.00 179.97 180.07 3adn h LYS 208 N 1.10 -0.35 -0.85 0.20 1.57 -0.76 -3.28 116.57 114.20 3adn h LYS 208 Ca 0.25 0.02 0.17 0.00 -1.87 0.00 0.00 60.65 59.22 3adn h LYS 208 Cb 0.23 0.08 -0.16 0.00 0.08 0.00 0.00 32.23 32.46 3adn h LYS 208 CO -0.02 -0.23 -0.21 -0.07 -0.57 0.00 0.00 179.45 178.34 3adn h LEU 209 N -0.68 -0.79 -1.76 2.94 4.07 -0.56 0.47 115.31 119.00 3adn h LEU 209 Ca -0.04 0.26 0.19 0.00 0.08 0.00 0.00 57.88 58.37 3adn h LEU 209 Cb 0.28 0.53 -0.03 0.00 1.08 0.00 0.00 40.66 42.52 3adn h LEU 209 CO 0.06 -0.28 0.68 0.28 -1.08 0.00 0.00 178.44 178.10 3adn h SER 210 N -0.00 0.00 1.17 -0.43 0.02 -1.43 0.46 113.55 113.34 3adn h SER 210 Ca 0.41 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.33 3adn h SER 210 Cb 0.62 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.16 3adn h SER 210 CO -0.88 0.00 -0.16 -0.74 -1.14 0.00 0.00 176.83 173.92 3adn h HIS 211 N 0.00 0.00 -0.00 3.45 -0.00 -0.10 -3.27 115.15 115.23 3adn h HIS 211 Ca 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.68 3adn h HIS 211 Cb 1.68 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 29.09 3adn h HIS 211 CO 0.00 0.16 -0.06 0.66 -0.00 0.00 0.00 177.93 178.68 3adn n TYR 212 N -3.25 0.00 -3.93 5.26 4.01 0.15 -5.02 117.16 114.38 3adn n TYR 212 Ca 0.01 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.65 3adn n TYR 212 Cb 0.44 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.35 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 -0.72 0.13 -1.73 -0.72 0.08 -0.37 -4.94 117.98 109.71 3adn s PHE 213 Ca 0.05 -0.27 0.28 0.00 0.12 0.00 0.00 56.93 57.11 3adn s PHE 213 Cb 0.04 -0.10 1.06 0.00 -0.57 0.00 0.00 43.02 43.45 3adn s PHE 213 CO 0.10 -0.11 1.76 -1.13 -0.10 0.00 0.00 175.22 175.74 3adn n SER 214 N 2.27 0.71 -3.55 1.36 3.41 -1.20 -4.43 113.62 112.19 3adn n SER 214 Ca -0.18 -0.74 -0.24 0.00 -0.26 0.00 0.00 58.87 57.44 3adn n SER 214 Cb 0.57 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.38 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 -2.45 2.42 -0.06 4.04 2.15 -0.29 -4.91 116.67 117.57 3adn s ASP 215 Ca 0.28 -0.73 0.04 0.00 0.43 0.00 0.00 52.55 52.56 3adn s ASP 215 Cb 0.20 -0.08 0.00 0.00 -0.30 0.00 0.00 42.92 42.74 3adn s ASP 215 CO 0.48 -0.37 -0.17 -0.69 -0.17 0.00 0.00 175.17 174.25 3adn s VAL 216 N 2.19 1.43 0.00 1.11 1.01 -1.26 -1.49 120.40 123.39 3adn s VAL 216 Ca 0.06 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.35 3adn s VAL 216 Cb -0.16 -1.25 0.00 0.00 0.00 0.00 0.00 36.38 34.97 3adn s VAL 216 CO -0.20 0.42 0.00 0.61 0.00 0.00 0.00 175.10 175.93 3adn n GLY 217 N 3.44 3.33 3.34 4.51 0.00 0.64 -5.00 105.19 115.44 3adn n GLY 217 Ca -0.20 -0.80 -0.14 0.00 0.00 0.00 0.00 46.02 44.88 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 -2.48 -0.39 0.52 1.61 0.08 -1.26 -0.80 117.98 115.26 3adn s PHE 218 Ca 0.00 0.76 0.00 0.00 0.12 0.00 0.00 56.93 57.81 3adn s PHE 218 Cb 0.00 0.19 -0.00 0.00 -0.57 0.00 0.00 43.02 42.64 3adn s PHE 218 CO 0.00 -0.39 0.01 2.48 -0.10 0.00 0.00 175.22 177.22 3adn n TYR 219 N 1.70 1.17 -3.63 0.36 4.11 -0.42 -4.74 117.16 115.71 3adn n TYR 219 Ca -0.18 -2.61 -0.12 0.00 -0.00 0.00 0.00 57.90 54.98 3adn n TYR 219 Cb 0.56 -0.33 -0.05 0.00 -0.00 0.00 0.00 39.34 39.52 3adn n TYR 219 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.86 175.72 3adn s GLN 220 N -3.89 1.00 0.03 -3.48 -0.44 0.31 -1.62 119.66 111.57 3adn s GLN 220 Ca 0.01 -0.42 -0.23 0.00 -2.50 0.00 0.00 55.36 52.22 3adn s GLN 220 Cb 0.00 0.45 0.05 0.00 -1.64 0.00 0.00 33.01 31.87 3adn s GLN 220 CO 0.01 -0.36 0.53 0.00 0.50 0.00 0.00 175.29 175.96 3adn s ALA 221 N -2.84 -1.35 -0.33 1.58 0.00 -1.09 -4.61 121.76 113.11 3adn s ALA 221 Ca -0.03 0.67 -0.08 0.00 0.00 0.00 0.00 51.96 52.52 3adn s ALA 221 Cb -0.00 0.32 0.02 0.00 0.00 0.00 0.00 23.12 23.46 3adn s ALA 221 CO -0.05 -0.48 0.13 0.00 0.00 0.00 0.00 175.76 175.37 3adn s ALA 222 N -2.23 3.14 -0.34 0.00 0.00 -1.26 -1.00 121.76 120.06 3adn s ALA 222 Ca -0.06 -1.62 -0.18 0.00 0.00 0.00 0.00 51.96 50.10 3adn s ALA 222 Cb -0.01 -2.34 -0.01 0.00 0.00 0.00 0.00 23.12 20.76 3adn s ALA 222 CO 0.00 -1.20 0.48 0.42 0.00 0.00 0.00 175.76 175.47 3adn s ILE 223 N 1.49 5.05 0.38 0.00 1.09 -1.26 -4.97 121.20 122.98 3adn s ILE 223 Ca 0.01 0.33 0.15 0.00 -1.10 0.00 0.00 60.65 60.04 3adn s ILE 223 Cb -0.19 -3.93 0.36 0.00 -1.06 0.00 0.00 42.46 37.65 3adn s ILE 223 CO 0.04 -0.17 1.79 1.55 -0.10 0.00 0.00 174.94 178.06 3adn h PRO 224 N 8.43 0.49 0.00 2.79 0.13 -1.93 -0.66 132.00 141.24 3adn h PRO 224 Ca -0.28 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 3adn h PRO 224 Cb 1.13 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.15 3adn h PRO 224 CO 0.75 0.32 0.00 2.41 -0.23 0.00 0.00 178.00 181.25 3adn n THR 225 N -4.64 0.47 -3.31 1.56 -1.04 -1.26 -4.19 114.28 101.87 3adn n THR 225 Ca 0.23 -0.18 -0.45 0.00 -2.04 0.00 0.00 64.05 61.61 3adn n THR 225 Cb 0.74 -0.60 -0.00 0.00 -1.82 0.00 0.00 70.33 68.65 3adn n THR 225 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 3adn s TYR 226 N -3.09 4.22 0.17 -1.42 2.02 -0.25 -4.97 117.35 114.03 3adn s TYR 226 Ca 0.11 -2.64 -0.31 0.00 -0.37 0.00 0.00 57.07 53.86 3adn s TYR 226 Cb 0.14 -3.87 -0.17 0.00 -0.40 0.00 0.00 41.96 37.66 3adn s TYR 226 CO 0.57 -0.98 0.89 0.98 -1.57 0.00 0.00 175.55 175.43 3adn n TYR 227 N 2.92 0.53 0.00 2.71 9.36 -1.26 -4.14 117.16 127.28 3adn n TYR 227 Ca 0.24 0.85 0.00 0.00 3.32 0.00 0.00 57.90 62.32 3adn n TYR 227 Cb 0.40 -2.13 0.00 0.00 -0.63 0.00 0.00 39.34 36.98 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 1.79 1.15 7.00 2.98 0.00 -1.26 -4.94 105.19 111.91 3adn n GLY 228 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 0.00 0.54 3.60 -0.02 0.00 -1.26 -4.74 105.19 103.32 3adn n GLY 229 Ca 0.00 -0.77 -0.45 0.00 0.00 0.00 0.00 46.02 44.80 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 1.64 -4.79 -0.61 5.41 -1.26 -4.30 119.36 115.45 3adn n ILE 230 Ca 0.00 -0.41 -0.31 0.00 1.00 0.00 0.00 62.75 63.03 3adn n ILE 230 Cb 0.00 -1.02 -0.13 0.00 -0.71 0.00 0.00 39.64 37.78 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 -1.18 2.13 -0.14 0.38 -2.45 -0.17 -2.02 119.30 115.85 3adn s MET 231 Ca 0.63 -0.94 -0.07 0.00 -1.25 0.00 0.00 55.69 54.07 3adn s MET 231 Cb -0.73 -2.19 -0.04 0.00 1.25 0.00 0.00 34.83 33.12 3adn s MET 231 CO 0.57 0.55 0.11 0.99 1.05 0.00 0.00 175.02 178.29 3adn s THR 232 N -0.85 5.20 -0.23 10.11 2.01 0.13 -2.69 115.64 129.33 3adn s THR 232 Ca 0.13 0.10 0.02 0.00 0.31 0.00 0.00 61.69 62.25 3adn s THR 232 Cb -0.10 -3.28 0.04 0.00 0.01 0.00 0.00 72.50 69.17 3adn s THR 232 CO 0.03 0.57 -0.14 -0.36 -0.69 0.00 0.00 174.62 174.03 3adn s PHE 233 N -0.58 3.01 0.48 4.92 0.08 -0.64 0.11 117.98 125.36 3adn s PHE 233 Ca 0.12 -2.02 -0.23 0.00 0.12 0.00 0.00 56.93 54.91 3adn s PHE 233 Cb -0.12 -1.90 -0.07 0.00 -0.57 0.00 0.00 43.02 40.37 3adn s PHE 233 CO 0.02 -0.84 1.31 0.00 -0.10 0.00 0.00 175.22 175.61 3adn s ALA 234 N 1.20 3.02 -0.13 5.36 0.00 0.17 -1.30 121.76 130.07 3adn s ALA 234 Ca -0.03 1.24 -0.03 0.00 0.00 0.00 0.00 51.96 53.13 3adn s ALA 234 Cb -0.17 -3.51 0.05 0.00 0.00 0.00 0.00 23.12 19.48 3adn s ALA 234 CO -0.08 -1.05 0.04 -0.46 0.00 0.00 0.00 175.76 174.20 3adn s TRP 235 N -1.34 0.64 -0.02 0.00 -0.11 0.02 -2.39 118.94 115.74 3adn s TRP 235 Ca 0.65 -0.40 0.02 0.00 1.22 0.00 0.00 56.10 57.58 3adn s TRP 235 Cb -0.38 -0.83 0.01 0.00 -1.50 0.00 0.00 33.47 30.77 3adn s TRP 235 CO 0.46 -0.45 -0.06 0.00 -4.62 0.00 0.00 176.95 172.28 3adn s ALA 236 N 1.98 0.65 -0.03 5.86 0.00 0.21 -0.26 121.76 130.16 3adn s ALA 236 Ca 0.02 -0.18 -0.30 0.00 0.00 0.00 0.00 51.96 51.50 3adn s ALA 236 Cb -0.15 -0.29 0.11 0.00 0.00 0.00 0.00 23.12 22.79 3adn s ALA 236 CO -0.07 0.07 0.94 -0.08 0.00 0.00 0.00 175.76 176.62 3adn s THR 237 N 0.37 0.00 -1.03 0.00 -1.32 -0.55 -0.38 115.64 112.73 3adn s THR 237 Ca -0.05 0.00 0.25 0.00 -1.21 0.00 0.00 61.69 60.68 3adn s THR 237 Cb -0.09 -1.00 -0.00 0.00 -1.51 0.00 0.00 72.50 69.90 3adn s THR 237 CO 0.00 0.00 1.39 0.47 -2.21 0.00 0.00 174.62 174.27 3adn n ASP 238 N -0.22 0.55 -4.39 8.08 8.00 -1.26 -1.13 116.55 126.18 3adn n ASP 238 Ca -0.07 -0.32 -0.45 0.00 0.71 0.00 0.00 54.79 54.66 3adn n ASP 238 Cb 0.61 0.29 -0.03 0.00 -0.02 0.00 0.00 41.12 41.98 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 -2.98 6.56 0.00 -2.24 3.04 -1.26 -4.74 114.94 113.32 3adn s ASN 239 Ca 0.11 -2.10 0.00 0.00 0.04 0.00 0.00 52.86 50.91 3adn s ASN 239 Cb 0.17 -2.31 0.00 0.00 -1.54 0.00 0.00 41.25 37.57 3adn s ASN 239 CO 0.70 -0.92 0.51 -0.90 -3.04 0.00 0.00 177.10 173.45 3adn n ASP 240 N 5.67 0.03 -0.01 -4.21 5.75 -1.26 -2.85 116.55 119.66 3adn n ASP 240 Ca 0.12 -1.05 0.08 0.00 -0.01 0.00 0.00 54.79 53.94 3adn n ASP 240 Cb 0.47 -0.01 -0.13 0.00 -1.03 0.00 0.00 41.12 40.41 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 -0.46 2.61 0.00 2.12 0.00 -1.26 -4.68 120.51 118.84 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 0.01 -0.58 0.00 0.00 0.00 0.00 0.00 19.45 18.88 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 -2.12 0.00 -3.17 0.00 4.32 -1.13 -3.40 117.00 111.50 3adn n LEU 242 Ca -0.04 0.00 -0.25 0.00 -0.02 0.00 0.00 56.01 55.70 3adn n LEU 242 Cb 0.47 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.22 3adn n LEU 242 CO 0.36 0.00 -0.01 -2.11 -1.22 0.00 0.00 177.39 174.41 3adn n ARG 243 N 0.49 2.21 -1.80 3.23 1.85 -1.26 -4.84 116.66 116.54 3adn n ARG 243 Ca 0.00 -4.28 -0.06 0.00 -1.00 0.00 0.00 57.85 52.52 3adn n ARG 243 Cb 0.00 -1.99 0.01 0.00 -1.05 0.00 0.00 32.46 29.43 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 0.45 -1.98 -1.70 2.89 1.44 -1.22 -5.09 115.22 110.02 3adn n HIS 244 Ca 0.28 -0.53 -0.38 0.00 -2.01 0.00 0.00 57.72 55.08 3adn n HIS 244 Cb 0.47 -0.12 0.06 0.00 0.12 0.00 0.00 29.99 30.52 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 5.24 -0.25 2.39 -0.00 -1.26 -4.93 117.00 118.19 3adn n LEU 245 Ca 0.01 0.86 -0.02 0.00 -0.00 0.00 0.00 56.01 56.87 3adn n LEU 245 Cb 0.15 -1.51 0.10 0.00 -0.00 0.00 0.00 43.42 42.15 3adn n LEU 245 CO 0.09 -1.14 1.12 -1.28 -0.00 0.00 0.00 177.39 176.18 3adn h SER 246 N 0.75 0.65 -0.70 1.45 0.87 -1.99 -3.02 113.55 111.57 3adn h SER 246 Ca -0.50 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.07 3adn h SER 246 Cb 1.34 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 63.15 3adn h SER 246 CO 0.53 0.43 0.40 0.71 -0.53 0.00 0.00 176.83 178.37 3adn h THR 247 N 0.78 1.21 -0.55 2.23 1.35 -1.95 0.24 112.91 116.22 3adn h THR 247 Ca 0.30 -0.49 -0.00 0.00 -0.55 0.00 0.00 66.41 65.67 3adn h THR 247 Cb 0.13 0.27 -0.03 0.00 -1.73 0.00 0.00 68.15 66.79 3adn h THR 247 CO -0.15 0.22 0.34 -0.33 -0.25 0.00 0.00 175.52 175.35 3adn h GLU 248 N 0.95 0.74 0.00 4.72 3.07 -1.92 -0.48 114.58 121.66 3adn h GLU 248 Ca 0.25 -0.06 -0.03 0.00 -0.50 0.00 0.00 59.36 59.02 3adn h GLU 248 Cb 0.01 -0.16 -0.00 0.00 -0.84 0.00 0.00 28.75 27.75 3adn h GLU 248 CO -0.04 0.51 -0.13 0.82 -1.40 0.00 0.00 179.01 178.76 3adn h ILE 249 N 0.75 0.45 0.00 3.13 1.08 -0.90 -3.07 117.51 118.96 3adn h ILE 249 Ca 0.20 -0.69 -0.30 0.00 -0.39 0.00 0.00 64.86 63.67 3adn h ILE 249 Cb -0.05 1.48 -0.02 0.00 -3.07 0.00 0.00 36.82 35.17 3adn h ILE 249 CO -0.04 0.13 1.18 -0.38 -0.69 0.00 0.00 178.15 178.35 3adn n ILE 250 N -3.45 2.78 -1.27 -0.67 5.41 -0.19 -2.59 119.36 119.39 3adn n ILE 250 Ca -0.01 -1.52 0.07 0.00 1.00 0.00 0.00 62.75 62.29 3adn n ILE 250 Cb 0.30 -2.09 0.18 0.00 -0.71 0.00 0.00 39.64 37.33 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 3.12 1.66 0.22 0.38 10.64 -1.16 -4.48 117.38 127.75 3adn n GLN 251 Ca 0.45 -2.91 0.09 0.00 -1.83 0.00 0.00 57.00 52.80 3adn n GLN 251 Cb 0.51 -1.62 0.48 0.00 -0.86 0.00 0.00 30.24 28.75 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 0.66 1.12 -0.15 2.61 0.00 -1.81 -3.39 119.26 118.31 3adn h ALA 252 Ca 0.03 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 3adn h ALA 252 Cb 1.14 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3adn h ALA 252 CO 0.08 0.32 0.32 0.54 0.00 0.00 0.00 179.25 180.51 3adn n ARG 253 N -3.57 0.22 0.00 0.00 5.12 -1.26 -4.29 116.66 112.87 3adn n ARG 253 Ca -0.01 -1.06 0.00 0.00 -1.93 0.00 0.00 57.85 54.86 3adn n ARG 253 Cb 0.40 -3.22 0.00 0.00 -1.16 0.00 0.00 32.46 28.48 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 16.33 0.00 0.00 -1.55 7.35 -1.26 -5.20 117.46 133.13 3adn n PHE 254 Ca 0.40 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 57.09 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 -4.06 -2.13 7.94 -1.26 -5.05 117.00 112.44 3adn n LEU 259 Ca 0.00 0.00 -0.33 0.00 -1.11 0.00 0.00 56.01 54.57 3adn n LEU 259 Cb 0.05 0.00 -0.13 0.00 0.53 0.00 0.00 43.42 43.87 3adn n LEU 259 CO 0.00 0.00 -0.23 -0.75 -1.11 0.00 0.00 177.39 175.30 3adn s LYS 260 N -0.48 1.80 0.61 1.96 2.47 -1.26 -5.07 119.74 119.78 3adn s LYS 260 Ca 0.00 -1.93 -0.04 0.00 -1.56 0.00 0.00 55.97 52.43 3adn s LYS 260 Cb 0.00 -3.41 0.03 0.00 -1.46 0.00 0.00 37.83 32.99 3adn s LYS 260 CO 0.00 -1.02 0.90 0.00 0.16 0.00 0.00 175.35 175.39 3adn n ARG 262 N -2.63 0.57 0.06 0.00 1.74 -1.26 -4.79 116.66 110.35 3adn n ARG 262 Ca 0.06 -0.08 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 3adn n ARG 262 Cb 0.59 -1.45 0.00 0.00 -1.02 0.00 0.00 32.46 30.58 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 -1.80 -0.53 -1.50 -1.55 9.36 -1.26 -5.07 117.16 114.80 3adn n TYR 263 Ca 0.00 0.09 -0.43 0.00 3.32 0.00 0.00 57.90 60.88 3adn n TYR 263 Cb 0.41 0.16 -0.00 0.00 -0.63 0.00 0.00 39.34 39.27 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 -3.22 0.20 -4.01 2.98 9.36 -1.26 -4.93 117.16 116.27 3adn n TYR 264 Ca 0.00 0.68 -0.10 0.00 3.32 0.00 0.00 57.90 61.80 3adn n TYR 264 Cb 0.00 -2.09 -0.05 0.00 -0.63 0.00 0.00 39.34 36.58 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 -0.82 0.14 0.12 2.98 0.01 -1.26 -4.64 114.94 111.47 3adn s ASN 265 Ca 0.62 -1.08 0.07 0.00 -0.71 0.00 0.00 52.86 51.76 3adn s ASN 265 Cb -0.67 0.61 -0.21 0.00 0.41 0.00 0.00 41.25 41.39 3adn s ASN 265 CO 0.58 -1.20 1.28 -0.65 -1.51 0.00 0.00 177.10 175.60 3adn h PRO 266 N 2.22 0.00 -0.10 -0.60 0.11 -1.94 -1.98 132.00 129.71 3adn h PRO 266 Ca -0.27 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.78 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 0.37 0.99 -0.15 0.00 -0.21 0.00 0.00 178.00 179.01 3adn h ALA 267 N 1.00 0.16 -0.88 -0.75 0.00 -1.96 -2.68 119.26 114.15 3adn h ALA 267 Ca -0.01 -0.33 0.05 0.00 0.00 0.00 0.00 54.91 54.61 3adn h ALA 267 Cb 1.77 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 19.47 3adn h ALA 267 CO 0.13 0.05 0.58 0.82 0.00 0.00 0.00 179.25 180.82 3adn h ILE 268 N -0.15 1.11 -0.31 0.00 1.08 -1.92 -1.85 117.51 115.48 3adn h ILE 268 Ca 0.01 -0.36 0.03 0.00 -0.39 0.00 0.00 64.86 64.15 3adn h ILE 268 Cb 0.70 -0.04 -0.03 0.00 -3.07 0.00 0.00 36.82 34.39 3adn h ILE 268 CO 0.03 0.19 0.13 -0.74 -0.69 0.00 0.00 178.15 177.08 3adn h HIS 269 N 1.05 0.24 -0.30 1.37 2.76 -1.21 -0.99 115.15 118.07 3adn h HIS 269 Ca 0.36 0.01 -0.13 0.00 -2.20 0.00 0.00 60.37 58.41 3adn h HIS 269 Cb 0.10 -0.06 -0.00 0.00 1.55 0.00 0.00 27.41 29.00 3adn h HIS 269 CO -0.00 0.12 -0.34 1.15 -1.30 0.00 0.00 177.93 177.56 3adn h THR 270 N 0.28 1.30 -0.32 6.26 2.02 -1.17 -3.26 112.91 118.02 3adn h THR 270 Ca 0.13 -1.52 -0.09 0.00 0.77 0.00 0.00 66.41 65.70 3adn h THR 270 Cb 0.07 1.57 -0.02 0.00 -1.74 0.00 0.00 68.15 68.04 3adn h THR 270 CO -0.11 0.49 -0.20 0.00 0.37 0.00 0.00 175.52 176.07 3adn h ALA 271 N 0.71 1.07 0.00 6.16 0.00 -1.22 -3.13 119.26 122.84 3adn h ALA 271 Ca 0.04 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3adn h ALA 271 Cb 0.92 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.57 3adn h ALA 271 CO 0.08 0.57 0.26 0.00 0.00 0.00 0.00 179.25 180.16 3adn h ALA 272 N 1.26 1.19 0.00 0.00 0.00 -1.22 0.16 119.26 120.65 3adn h ALA 272 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3adn h ALA 272 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3adn h ALA 272 CO 0.04 -0.19 -0.50 1.19 0.00 0.00 0.00 179.25 179.79 3adn n PHE 273 N -2.25 0.04 -2.56 0.00 3.72 -1.18 0.12 117.46 115.33 3adn n PHE 273 Ca -0.01 0.01 -0.41 0.00 -0.05 0.00 0.00 57.45 56.99 3adn n PHE 273 Cb 0.28 -0.28 -0.03 0.00 -0.94 0.00 0.00 39.48 38.51 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 -3.01 2.78 0.14 4.37 0.00 0.56 -4.86 121.76 121.73 3adn s ALA 274 Ca 0.11 -1.35 -0.23 0.00 0.00 0.00 0.00 51.96 50.48 3adn s ALA 274 Cb 0.17 -4.23 -0.08 0.00 0.00 0.00 0.00 23.12 18.98 3adn s ALA 274 CO 0.70 -3.24 0.71 -0.51 0.00 0.00 0.00 175.76 173.42 3adn s LEU 275 N 5.64 4.57 0.55 0.00 1.43 -1.26 -4.93 118.68 124.68 3adn s LEU 275 Ca 0.35 1.53 -0.21 0.00 -1.03 0.00 0.00 54.13 54.76 3adn s LEU 275 Cb -0.08 -3.18 -0.05 0.00 0.03 0.00 0.00 46.19 42.91 3adn s LEU 275 CO 0.15 0.23 1.32 -2.16 0.23 0.00 0.00 176.35 176.13 3adn s PRO 276 N -1.16 3.12 0.27 1.29 0.04 -1.26 -4.75 135.00 132.54 3adn s PRO 276 Ca 0.34 2.15 -0.09 0.00 0.04 0.00 0.00 61.00 63.44 3adn s PRO 276 Cb -0.22 -2.20 0.42 0.00 0.04 0.00 0.00 34.50 32.54 3adn s PRO 276 CO 0.24 -1.18 1.58 0.37 0.04 0.00 0.00 177.00 178.05 3adn h GLN 277 N 1.37 0.00 -0.81 4.56 5.75 -1.99 -1.51 115.11 122.48 3adn h GLN 277 Ca -0.51 -0.00 0.08 0.00 -0.15 0.00 0.00 58.65 58.07 3adn h GLN 277 Cb 1.30 -0.00 -0.07 0.00 1.07 0.00 0.00 27.48 29.78 3adn h GLN 277 CO 0.57 0.00 0.47 0.10 -2.65 0.00 0.00 178.83 177.32 3adn h TYR 278 N 0.00 0.87 -0.53 3.99 -0.00 -2.00 -0.33 116.97 118.97 3adn h TYR 278 Ca 0.44 0.03 -0.02 0.00 -0.00 0.00 0.00 58.73 59.19 3adn h TYR 278 Cb 0.69 -0.27 -0.02 0.00 -0.00 0.00 0.00 36.73 37.12 3adn h TYR 278 CO -0.70 0.40 0.27 1.25 -0.00 0.00 0.00 178.16 179.38 3adn h LEU 279 N 0.83 0.68 -0.15 0.10 6.46 -1.64 -1.12 115.31 120.48 3adn h LEU 279 Ca 0.37 -0.11 0.02 0.00 -0.12 0.00 0.00 57.88 58.04 3adn h LEU 279 Cb 0.26 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 40.00 3adn h LEU 279 CO -0.21 0.60 0.01 1.56 -0.62 0.00 0.00 178.44 179.78 3adn h GLN 280 N 0.71 0.06 -0.84 1.25 4.20 -0.95 -2.16 115.11 117.39 3adn h GLN 280 Ca 0.19 -0.00 0.06 0.00 0.06 0.00 0.00 58.65 58.95 3adn h GLN 280 Cb 0.09 -0.01 -0.06 0.00 0.30 0.00 0.00 27.48 27.79 3adn h GLN 280 CO -0.03 0.04 0.51 -0.44 -0.67 0.00 0.00 178.83 178.25 3adn h ASP 281 N 0.06 0.80 -0.11 1.46 3.32 -0.76 -0.43 116.42 120.77 3adn h ASP 281 Ca 0.07 0.02 0.03 0.00 0.02 0.00 0.00 57.03 57.17 3adn h ASP 281 Cb 0.08 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.47 3adn h ASP 281 CO -0.11 0.51 0.18 0.00 -1.72 0.00 0.00 179.24 178.10 3adn h ALA 282 N 1.40 1.55 -2.77 3.45 0.00 -0.57 -3.41 119.26 118.90 3adn h ALA 282 Ca 0.37 -0.00 -0.63 0.00 0.00 0.00 0.00 54.91 54.64 3adn h ALA 282 Cb 0.18 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 3adn h ALA 282 CO -0.18 -0.23 -0.44 -0.51 0.00 0.00 0.00 179.25 177.90 3adn s LEU 283 N -6.98 4.36 -0.31 0.00 1.43 -0.17 -4.89 118.68 112.11 3adn s LEU 283 Ca -0.05 0.45 -0.11 0.00 -1.03 0.00 0.00 54.13 53.39 3adn s LEU 283 Cb 0.14 -2.70 0.20 0.00 0.03 0.00 0.00 46.19 43.86 3adn s LEU 283 CO 0.47 0.24 1.12 0.00 0.23 0.00 0.00 176.35 178.41 3adn s ALA 284 N -1.34 -4.76 -0.17 4.21 0.00 -1.26 -4.96 121.76 113.47 3adn s ALA 284 Ca 0.29 1.27 -0.14 0.00 0.00 0.00 0.00 51.96 53.37 3adn s ALA 284 Cb -0.13 -3.05 -0.06 0.00 0.00 0.00 0.00 23.12 19.88 3adn s ALA 284 CO 0.18 -2.54 -0.24 -1.13 0.00 0.00 0.00 175.76 172.03 3adn n SER 285 N 3.34 1.88 -0.18 0.00 3.41 -1.26 -5.17 113.62 115.63 3adn n SER 285 Ca 0.06 0.47 0.02 0.00 -0.26 0.00 0.00 58.87 59.16 3adn n SER 285 Cb 0.65 -0.82 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