#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nya n THR 2 N 0.00 -0.09 -1.46 1.09 -1.04 -1.26 -4.89 114.28 106.63 1nya n THR 2 Ca 0.00 0.00 -0.50 0.00 -2.04 0.00 0.00 64.05 61.51 1nya n THR 2 Cb 0.00 -1.38 -0.07 0.00 -1.82 0.00 0.00 70.33 67.06 1nya n THR 2 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1nya n ALA 3 N 0.76 1.13 0.05 2.41 0.00 -1.26 -4.81 120.51 118.80 1nya n ALA 3 Ca -0.12 -0.06 -0.07 0.00 0.00 0.00 0.00 53.44 53.19 1nya n ALA 3 Cb 0.40 -2.57 -0.12 0.00 0.00 0.00 0.00 19.45 17.16 1nya n ALA 3 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1nya h ILE 4 N 7.05 1.60 -0.38 0.00 5.03 -1.86 -3.30 117.51 125.65 1nya h ILE 4 Ca -0.29 -3.32 -0.04 0.00 -0.12 0.00 0.00 64.86 61.09 1nya h ILE 4 Cb 1.31 2.79 -0.02 0.00 -3.03 0.00 0.00 36.82 37.88 1nya h ILE 4 CO 1.01 0.91 0.08 0.00 -0.68 0.00 0.00 178.15 179.48 1nya h ALA 5 N 1.01 1.44 0.14 1.87 0.00 -1.68 -2.96 119.26 119.08 1nya h ALA 5 Ca -0.04 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1nya h ALA 5 Cb 1.79 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.42 1nya h ALA 5 CO 0.12 0.41 -0.07 0.77 0.00 0.00 0.00 179.25 180.48 1nya h SER 6 N 0.55 -0.16 -0.49 0.00 0.02 -1.86 -1.36 113.55 110.25 1nya h SER 6 Ca 0.13 0.00 0.08 0.00 -0.84 0.00 0.00 61.79 61.17 1nya h SER 6 Cb 0.23 0.04 -0.07 0.00 0.14 0.00 0.00 62.40 62.74 1nya h SER 6 CO -0.00 -0.11 0.08 -0.78 -1.14 0.00 0.00 176.83 174.87 1nya h ASP 7 N -0.20 -0.04 -0.19 3.07 1.82 -1.67 1.23 116.42 120.45 1nya h ASP 7 Ca -0.02 0.09 -0.00 0.00 -0.39 0.00 0.00 57.03 56.71 1nya h ASP 7 Cb 0.15 0.14 -0.01 0.00 0.68 0.00 0.00 39.33 40.29 1nya h ASP 7 CO 0.03 0.01 0.10 -0.09 -1.61 0.00 0.00 179.24 177.68 1nya h ARG 8 N 0.21 0.26 0.00 0.28 9.65 -1.39 -2.31 114.38 121.08 1nya h ARG 8 Ca 0.24 -0.03 -0.15 0.00 -1.10 0.00 0.00 59.98 58.94 1nya h ARG 8 Cb 0.33 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 28.84 1nya h ARG 8 CO -0.34 0.25 -0.71 -0.07 2.80 0.00 0.00 179.97 181.90 1nya h LEU 9 N 0.20 0.00 0.79 3.80 3.38 -0.77 -2.99 115.31 119.71 1nya h LEU 9 Ca 0.07 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 1nya h LEU 9 Cb 0.07 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.83 1nya h LEU 9 CO -0.01 0.71 -0.38 0.50 0.09 0.00 0.00 178.44 179.35 1nya h LYS 10 N 0.00 -1.02 -0.74 1.13 3.11 0.17 -3.09 116.57 116.12 1nya h LYS 10 Ca -0.01 0.07 0.08 0.00 -2.81 0.00 0.00 60.65 57.98 1nya h LYS 10 Cb 1.34 0.23 -0.06 0.00 -1.00 0.00 0.00 32.23 32.74 1nya h LYS 10 CO 0.09 -0.67 0.41 0.87 -2.81 0.00 0.00 179.45 177.35 1nya h LYS 11 N -1.19 0.70 -1.24 1.90 1.57 -1.52 -1.21 116.57 115.59 1nya h LYS 11 Ca -0.11 -0.04 0.36 0.00 -1.87 0.00 0.00 60.65 58.99 1nya h LYS 11 Cb 0.83 -0.16 -0.09 0.00 0.08 0.00 0.00 32.23 32.89 1nya h LYS 11 CO 0.18 0.47 0.84 0.00 -0.57 0.00 0.00 179.45 180.37 1nya h ARG 12 N 0.73 0.15 0.34 3.15 2.47 -1.45 1.32 114.38 121.08 1nya h ARG 12 Ca 0.35 -0.01 -0.02 0.00 -1.26 0.00 0.00 59.98 59.04 1nya h ARG 12 Cb 0.28 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.57 1nya h ARG 12 CO -0.22 0.10 -0.16 0.35 0.56 0.00 0.00 179.97 180.60 1nya h PHE 13 N 0.16 -0.42 0.00 3.04 3.04 -1.14 -3.28 116.94 118.34 1nya h PHE 13 Ca 0.68 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.62 1nya h PHE 13 Cb 2.22 0.14 0.00 0.00 2.56 0.00 0.00 35.95 40.87 1nya h PHE 13 CO -0.00 -0.26 0.00 -3.47 -2.02 0.00 0.00 178.31 172.55 1nya n ASP 14 N -5.07 0.40 0.24 0.41 2.03 -0.56 -2.56 116.55 111.43 1nya n ASP 14 Ca -0.06 0.60 0.12 0.00 0.52 0.00 0.00 54.79 55.98 1nya n ASP 14 Cb 0.18 -0.68 0.48 0.00 -0.72 0.00 0.00 41.12 40.38 1nya n ASP 14 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 1nya h ARG 15 N 0.00 0.00 0.00 -0.67 2.47 0.16 -3.41 114.38 112.94 1nya h ARG 15 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1nya h ARG 15 Cb 0.31 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.63 1nya h ARG 15 CO 0.00 0.14 0.00 0.91 0.56 0.00 0.00 179.97 181.58 1nya n TRP 16 N -3.26 0.00 -3.65 3.04 7.02 -1.06 -5.01 117.44 114.51 1nya n TRP 16 Ca 0.01 0.00 -0.29 0.00 -1.02 0.00 0.00 57.50 56.19 1nya n TRP 16 Cb 0.41 0.00 0.02 0.00 -2.42 0.00 0.00 31.31 29.32 1nya n TRP 16 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 1nya n ASP 17 N 0.00 -5.21 -0.01 -0.99 -0.08 -1.24 -4.85 116.55 104.16 1nya n ASP 17 Ca 0.00 -0.62 -0.09 0.00 -1.51 0.00 0.00 54.79 52.57 1nya n ASP 17 Cb 0.00 -1.81 -0.03 0.00 2.34 0.00 0.00 41.12 41.63 1nya n ASP 17 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 1nya h PHE 18 N 0.67 -0.37 0.00 -0.67 0.04 -1.92 -2.96 116.94 111.73 1nya h PHE 18 Ca -0.59 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.21 1nya h PHE 18 Cb 1.39 0.19 0.00 0.00 2.20 0.00 0.00 35.95 39.73 1nya h PHE 18 CO 0.14 -0.21 -1.12 -0.40 -0.60 0.00 0.00 178.31 176.12 1nya n ASP 19 N -5.29 0.64 -1.29 2.17 5.75 -1.26 -4.99 116.55 112.27 1nya n ASP 19 Ca -0.02 -0.45 -0.04 0.00 -0.01 0.00 0.00 54.79 54.26 1nya n ASP 19 Cb 0.21 1.00 0.02 0.00 -1.03 0.00 0.00 41.12 41.32 1nya n ASP 19 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1nya n GLY 20 N 1.41 0.49 0.02 6.12 0.00 -1.12 -4.96 105.19 107.14 1nya n GLY 20 Ca 0.02 -0.43 0.11 0.00 0.00 0.00 0.00 46.02 45.72 1nya n GLY 20 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1nya n ASN 21 N -0.30 0.64 0.00 1.61 6.94 -1.26 -4.96 115.26 117.93 1nya n ASN 21 Ca -0.02 -0.33 0.00 0.00 -0.02 0.00 0.00 54.58 54.21 1nya n ASN 21 Cb 0.52 0.59 0.00 0.00 -2.36 0.00 0.00 39.78 38.54 1nya n ASN 21 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1nya n GLY 22 N 1.43 0.52 3.65 4.83 0.00 -1.26 -5.03 105.19 109.32 1nya n GLY 22 Ca 0.04 -0.88 -0.11 0.00 0.00 0.00 0.00 46.02 45.07 1nya n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nya s ALA 23 N -2.00 -0.11 -0.19 4.61 0.00 -1.26 -4.78 121.76 118.02 1nya s ALA 23 Ca 0.00 -1.02 -0.01 0.00 0.00 0.00 0.00 51.96 50.92 1nya s ALA 23 Cb 0.00 0.95 0.00 0.00 0.00 0.00 0.00 23.12 24.08 1nya s ALA 23 CO 0.00 -0.89 -0.12 -1.17 0.00 0.00 0.00 175.76 173.58 1nya s LEU 24 N -3.11 2.56 0.43 0.00 2.96 -1.02 -4.84 118.68 115.66 1nya s LEU 24 Ca 0.22 -0.49 0.06 0.00 -0.22 0.00 0.00 54.13 53.70 1nya s LEU 24 Cb -0.02 -1.62 -0.06 0.00 0.50 0.00 0.00 46.19 44.98 1nya s LEU 24 CO 0.14 0.01 0.01 -1.61 -1.32 0.00 0.00 176.35 173.59 1nya s GLU 25 N 1.24 1.99 0.34 1.98 2.02 -1.26 -2.81 118.70 122.20 1nya s GLU 25 Ca 0.03 -2.16 0.08 0.00 0.02 0.00 0.00 54.97 52.94 1nya s GLU 25 Cb -0.14 -1.55 0.63 0.00 0.10 0.00 0.00 34.13 33.16 1nya s GLU 25 CO -0.05 -0.13 1.82 -0.09 0.02 0.00 0.00 175.26 176.82 1nya h ARG 26 N 1.70 0.25 0.00 1.61 2.43 -1.81 -2.31 114.38 116.26 1nya h ARG 26 Ca -0.44 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 58.64 1nya h ARG 26 Cb 1.26 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.78 1nya h ARG 26 CO 0.79 0.49 -0.03 0.00 -1.51 0.00 0.00 179.97 179.71 1nya h ALA 27 N 1.52 1.03 -0.17 2.80 0.00 -1.96 -2.40 119.26 120.07 1nya h ALA 27 Ca 0.04 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.76 1nya h ALA 27 Cb 0.57 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1nya h ALA 27 CO 0.04 0.04 -0.55 -0.44 0.00 0.00 0.00 179.25 178.34 1nya h ASP 28 N 0.00 0.59 0.21 0.00 5.19 -1.82 -1.49 116.42 119.10 1nya h ASP 28 Ca -0.00 -0.32 -0.27 0.00 -0.62 0.00 0.00 57.03 55.82 1nya h ASP 28 Cb 0.41 -0.17 0.02 0.00 0.18 0.00 0.00 39.33 39.77 1nya h ASP 28 CO 0.00 1.02 -1.13 -0.26 -3.12 0.00 0.00 179.24 175.76 1nya h PHE 29 N 0.41 0.86 -0.49 4.55 -1.00 -1.51 -2.38 116.94 117.37 1nya h PHE 29 Ca 0.01 -0.52 -0.06 0.00 2.81 0.00 0.00 57.97 60.21 1nya h PHE 29 Cb 1.09 -0.08 -0.02 0.00 3.61 0.00 0.00 35.95 40.56 1nya h PHE 29 CO 0.04 1.36 0.06 0.93 -1.61 0.00 0.00 178.31 179.09 1nya h GLU 30 N 0.27 0.83 -0.47 1.51 5.08 -1.43 -2.59 114.58 117.79 1nya h GLU 30 Ca -0.14 -0.24 -0.07 0.00 -1.00 0.00 0.00 59.36 57.91 1nya h GLU 30 Cb 1.79 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.94 1nya h GLU 30 CO 0.21 0.84 0.01 -0.22 -1.00 0.00 0.00 179.01 178.85 1nya h LYS 31 N 0.70 0.82 0.06 2.33 1.63 -1.33 -2.98 116.57 117.80 1nya h LYS 31 Ca 0.15 -0.25 0.02 0.00 -0.85 0.00 0.00 60.65 59.71 1nya h LYS 31 Cb 0.43 -0.08 -0.05 0.00 -0.60 0.00 0.00 32.23 31.93 1nya h LYS 31 CO 0.01 0.86 -0.51 1.49 -3.45 0.00 0.00 179.45 177.85 1nya h GLU 32 N 0.67 -0.67 -0.82 1.90 4.22 -1.24 0.52 114.58 119.16 1nya h GLU 32 Ca 0.13 0.05 0.20 0.00 0.08 0.00 0.00 59.36 59.82 1nya h GLU 32 Cb 0.48 0.15 -0.13 0.00 0.50 0.00 0.00 28.75 29.75 1nya h GLU 32 CO 0.02 -0.45 0.15 0.00 -2.18 0.00 0.00 179.01 176.55 1nya h ALA 33 N -0.40 1.07 0.25 2.92 0.00 -1.45 0.62 119.26 122.26 1nya h ALA 33 Ca 0.01 0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1nya h ALA 33 Cb 0.73 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1nya h ALA 33 CO -0.32 -0.43 -0.12 1.96 0.00 0.00 0.00 179.25 180.34 1nya h GLN 34 N 0.18 -0.32 -0.60 0.00 4.20 -1.05 0.18 115.11 117.71 1nya h GLN 34 Ca 0.49 0.02 0.11 0.00 0.06 0.00 0.00 58.65 59.33 1nya h GLN 34 Cb 0.92 0.07 -0.04 0.00 0.30 0.00 0.00 27.48 28.74 1nya h GLN 34 CO -0.64 -0.13 0.40 1.25 -0.67 0.00 0.00 178.83 179.04 1nya h HIS 35 N -0.44 0.39 0.22 2.96 2.76 0.24 -2.30 115.15 118.98 1nya h HIS 35 Ca -0.03 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.14 1nya h HIS 35 Cb 0.33 -0.13 0.00 0.00 1.55 0.00 0.00 27.41 29.17 1nya h HIS 35 CO -0.03 0.18 -0.10 0.82 -1.30 0.00 0.00 177.93 177.50 1nya h ILE 36 N 0.36 0.71 -0.97 6.26 1.08 0.61 -3.18 117.51 122.38 1nya h ILE 36 Ca 0.28 -0.97 0.32 0.00 -0.39 0.00 0.00 64.86 64.09 1nya h ILE 36 Cb 0.61 1.16 -0.16 0.00 -3.07 0.00 0.00 36.82 35.36 1nya h ILE 36 CO -0.07 0.17 0.40 0.00 -0.69 0.00 0.00 178.15 177.96 1nya h ALA 37 N -0.40 1.73 -0.61 1.87 0.00 -0.11 1.04 119.26 122.77 1nya h ALA 37 Ca -0.03 0.24 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1nya h ALA 37 Cb 0.51 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 1nya h ALA 37 CO 0.05 -0.65 0.25 0.93 0.00 0.00 0.00 179.25 179.83 1nya h GLU 38 N 0.16 0.89 -0.55 0.00 4.39 -1.50 -1.60 114.58 116.38 1nya h GLU 38 Ca 0.70 -0.14 0.04 0.00 0.34 0.00 0.00 59.36 60.30 1nya h GLU 38 Cb 1.62 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 30.09 1nya h GLU 38 CO -0.71 0.73 0.36 0.00 -1.16 0.00 0.00 179.01 178.23 1nya h ALA 39 N 1.39 1.75 -0.14 3.43 0.00 0.12 0.27 119.26 126.08 1nya h ALA 39 Ca 0.21 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1nya h ALA 39 Cb 0.17 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1nya h ALA 39 CO -0.02 0.18 0.00 1.19 0.00 0.00 0.00 179.25 180.60 1nya n PHE 40 N -4.47 0.17 -4.47 0.00 3.72 -0.68 -4.96 117.46 106.78 1nya n PHE 40 Ca 0.07 -0.09 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 1nya n PHE 40 Cb 0.16 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.70 1nya n PHE 40 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1nya n GLY 41 N 1.16 0.05 7.00 1.37 0.00 0.94 -5.02 105.19 110.68 1nya n GLY 41 Ca 0.17 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.24 1nya n GLY 41 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1nya n LYS 42 N 0.00 0.00 0.00 1.61 5.02 -1.26 -4.45 118.16 119.07 1nya n LYS 42 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1nya n LYS 42 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1nya n LYS 42 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1nya n ASP 43 N -0.82 0.00 0.13 4.39 9.92 -1.26 -4.99 116.55 123.92 1nya n ASP 43 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1nya n ASP 43 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1nya n ASP 43 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1nya n ALA 44 N -3.00 2.95 -0.12 2.24 0.00 -1.26 -4.75 120.51 116.57 1nya n ALA 44 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1nya n ALA 44 Cb 0.00 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.56 1nya n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nya n GLY 45 N 1.45 3.14 0.00 0.00 0.00 -1.26 -4.64 105.19 103.88 1nya n GLY 45 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.47 1nya n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nya n ALA 46 N -0.25 0.00 -0.08 4.61 0.00 -1.26 -4.86 120.51 118.67 1nya n ALA 46 Ca 0.28 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.58 1nya n ALA 46 Cb 1.05 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 20.40 1nya n ALA 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nya h ALA 47 N -2.00 0.07 -0.61 0.00 0.00 -1.99 -2.95 119.26 111.79 1nya h ALA 47 Ca 0.00 -0.65 0.11 0.00 0.00 0.00 0.00 54.91 54.37 1nya h ALA 47 Cb 0.00 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 1nya h ALA 47 CO 0.00 0.21 0.41 0.93 0.00 0.00 0.00 179.25 180.80 1nya h GLU 48 N -1.00 0.35 0.05 0.00 4.39 -1.96 0.20 114.58 116.61 1nya h GLU 48 Ca -0.10 -0.02 -0.21 0.00 0.34 0.00 0.00 59.36 59.38 1nya h GLU 48 Cb 0.96 -0.08 0.02 0.00 -0.10 0.00 0.00 28.75 29.55 1nya h GLU 48 CO -0.06 0.23 -0.84 0.28 -1.16 0.00 0.00 179.01 177.46 1nya h VAL 49 N 0.36 1.39 -0.85 3.13 2.07 -1.85 -2.79 116.25 117.71 1nya h VAL 49 Ca 0.28 -2.27 -0.01 0.00 0.82 0.00 0.00 66.70 65.53 1nya h VAL 49 Cb 0.62 2.70 -0.04 0.00 -1.52 0.00 0.00 31.29 33.05 1nya h VAL 49 CO -0.07 0.67 0.50 -0.61 0.02 0.00 0.00 177.57 178.08 1nya h GLN 50 N -0.00 1.17 0.50 1.57 4.15 -1.12 -1.94 115.11 119.43 1nya h GLN 50 Ca -0.12 -0.11 -0.02 0.00 0.77 0.00 0.00 58.65 59.17 1nya h GLN 50 Cb 1.56 -0.24 -0.01 0.00 0.21 0.00 0.00 27.48 29.00 1nya h GLN 50 CO 0.16 0.83 -0.34 1.15 -1.93 0.00 0.00 178.83 178.71 1nya h THR 51 N 1.18 0.31 -0.11 2.39 2.02 -0.68 -0.10 112.91 117.92 1nya h THR 51 Ca 0.31 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.53 1nya h THR 51 Cb -0.03 0.31 -0.06 0.00 -1.74 0.00 0.00 68.15 66.63 1nya h THR 51 CO -0.06 0.00 -0.41 0.25 0.37 0.00 0.00 175.52 175.67 1nya h LEU 52 N -0.81 -1.29 -1.31 2.58 5.85 -1.28 0.19 115.31 119.24 1nya h LEU 52 Ca -0.06 0.17 0.24 0.00 0.84 0.00 0.00 57.88 59.07 1nya h LEU 52 Cb 0.67 0.52 -0.09 0.00 0.37 0.00 0.00 40.66 42.13 1nya h LEU 52 CO 0.04 -0.43 0.64 0.11 -0.34 0.00 0.00 178.44 178.46 1nya h LYS 53 N -0.50 0.46 -0.40 1.25 1.57 -1.23 0.25 116.57 117.98 1nya h LYS 53 Ca 0.07 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1nya h LYS 53 Cb 0.63 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 1nya h LYS 53 CO -0.38 0.31 0.23 -0.97 -0.57 0.00 0.00 179.45 178.07 1nya h ASN 54 N 0.48 0.48 0.33 0.86 -1.24 0.13 -1.72 115.58 114.90 1nya h ASN 54 Ca 0.57 -0.06 -0.02 0.00 0.71 0.00 0.00 56.30 57.50 1nya h ASN 54 Cb 1.30 -0.12 0.00 0.00 0.73 0.00 0.00 38.32 40.23 1nya h ASN 54 CO -0.29 0.40 -0.16 0.00 -1.29 0.00 0.00 177.43 176.09 1nya h ALA 55 N 1.10 -0.45 -1.25 1.57 0.00 0.74 -3.03 119.26 117.94 1nya h ALA 55 Ca 0.14 -0.19 0.36 0.00 0.00 0.00 0.00 54.91 55.22 1nya h ALA 55 Cb 0.01 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 1nya h ALA 55 CO -0.03 -0.54 0.90 0.74 0.00 0.00 0.00 179.25 180.33 1nya h PHE 56 N -0.88 0.00 0.14 0.00 0.04 -0.79 -0.69 116.94 114.76 1nya h PHE 56 Ca -0.05 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.72 1nya h PHE 56 Cb 0.53 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.68 1nya h PHE 56 CO 0.03 0.00 -0.07 0.78 -0.60 0.00 0.00 178.31 178.45 1nya h GLY 57 N 0.00 -0.20 0.96 -1.45 0.00 -1.19 -3.17 103.07 98.02 1nya h GLY 57 Ca 0.59 0.07 0.14 0.00 0.00 0.00 0.00 47.33 48.14 1nya h GLY 57 CO -0.01 -0.07 0.38 -1.33 0.00 0.00 0.00 176.54 175.51 1nya h GLY 58 N -0.59 0.12 1.35 4.60 0.00 -1.07 -0.80 103.07 106.68 1nya h GLY 58 Ca -0.02 -0.03 0.05 0.00 0.00 0.00 0.00 47.33 47.33 1nya h GLY 58 CO 0.03 0.01 0.31 -2.00 0.00 0.00 0.00 176.54 174.90 1nya h LEU 59 N 0.07 0.37 -0.50 3.11 6.46 -1.49 -1.77 115.31 121.56 1nya h LEU 59 Ca 0.26 -0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 58.00 1nya h LEU 59 Cb 0.93 -0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 40.75 1nya h LEU 59 CO -0.02 0.24 0.26 0.15 -0.62 0.00 0.00 178.44 178.46 1nya h PHE 60 N 0.42 0.70 -0.88 1.25 3.04 -1.25 -2.89 116.94 117.33 1nya h PHE 60 Ca 0.20 -0.02 0.18 0.00 3.98 0.00 0.00 57.97 62.31 1nya h PHE 60 Cb 0.26 -0.22 -0.17 0.00 2.56 0.00 0.00 35.95 38.38 1nya h PHE 60 CO -0.00 0.53 -0.21 0.22 -2.02 0.00 0.00 178.31 176.84 1nya h ASP 61 N 0.67 -0.80 -0.89 0.41 3.58 -1.41 0.58 116.42 118.56 1nya h ASP 61 Ca 0.18 0.26 0.03 0.00 0.42 0.00 0.00 57.03 57.92 1nya h ASP 61 Cb 0.08 0.54 -0.05 0.00 1.72 0.00 0.00 39.33 41.61 1nya h ASP 61 CO -0.03 -0.29 0.58 0.22 -2.88 0.00 0.00 179.24 176.84 1nya h TYR 62 N 0.00 1.09 0.30 0.28 3.20 -1.58 -0.53 116.97 119.73 1nya h TYR 62 Ca 0.43 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.31 1nya h TYR 62 Cb 0.67 -0.36 0.00 0.00 1.54 0.00 0.00 36.73 38.58 1nya h TYR 62 CO -0.68 0.63 -0.14 -0.07 -1.64 0.00 0.00 178.16 176.26 1nya h LEU 63 N 1.13 -0.34 -0.17 2.82 3.38 0.10 0.47 115.31 122.70 1nya h LEU 63 Ca 0.35 -0.12 0.04 0.00 0.09 0.00 0.00 57.88 58.24 1nya h LEU 63 Cb -0.01 0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 1nya h LEU 63 CO -0.11 -0.07 -0.08 0.00 0.09 0.00 0.00 178.44 178.27 1nya h ALA 64 N 0.01 0.06 0.02 1.53 0.00 -0.79 0.66 119.26 120.75 1nya h ALA 64 Ca -0.04 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1nya h ALA 64 Cb 0.44 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1nya h ALA 64 CO 0.07 -0.52 -0.01 -0.22 0.00 0.00 0.00 179.25 178.57 1nya h LYS 65 N -0.06 -0.03 -0.91 0.00 3.64 -1.11 1.05 116.57 119.16 1nya h LYS 65 Ca 0.09 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.46 1nya h LYS 65 Cb 0.20 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.98 1nya h LYS 65 CO -0.21 0.11 0.50 0.93 -2.27 0.00 0.00 179.45 178.51 1nya h GLU 66 N -0.15 1.26 0.00 1.90 4.39 -0.69 -2.45 114.58 118.83 1nya h GLU 66 Ca -0.00 -0.14 -0.12 0.00 0.34 0.00 0.00 59.36 59.44 1nya h GLU 66 Cb 0.14 -0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 28.53 1nya h GLU 66 CO 0.00 0.91 -0.56 0.00 -1.16 0.00 0.00 179.01 178.20 1nya h ALA 67 N 1.29 0.69 0.00 3.43 0.00 0.53 -3.48 119.26 121.72 1nya h ALA 67 Ca 0.32 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1nya h ALA 67 Cb 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1nya h ALA 67 CO -0.05 0.70 0.00 0.41 0.00 0.00 0.00 179.25 180.31 1nya n GLY 68 N 1.03 0.64 3.98 0.00 0.00 0.32 -5.05 105.19 106.12 1nya n GLY 68 Ca 0.01 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.83 1nya n GLY 68 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1nya s VAL 69 N -2.00 2.46 0.83 1.61 -7.23 0.14 -4.94 120.40 111.28 1nya s VAL 69 Ca 0.00 -1.12 -0.06 0.00 -1.81 0.00 0.00 61.98 58.99 1nya s VAL 69 Cb 0.00 -2.58 0.18 0.00 0.56 0.00 0.00 36.38 34.54 1nya s VAL 69 CO 0.00 0.00 1.14 0.61 -0.31 0.00 0.00 175.10 176.54 1nya n GLY 70 N -1.94 -0.18 0.10 2.32 0.00 -1.26 -3.58 105.19 100.65 1nya n GLY 70 Ca 0.09 -1.91 0.08 0.00 0.00 0.00 0.00 46.02 44.29 1nya n GLY 70 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1nya n SER 71 N -3.27 0.39 -0.49 1.61 7.64 -1.26 -1.51 113.62 116.74 1nya n SER 71 Ca 0.17 0.64 0.06 0.00 1.01 0.00 0.00 58.87 60.75 1nya n SER 71 Cb 0.59 -0.71 0.14 0.00 -1.01 0.00 0.00 64.21 63.23 1nya n SER 71 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1nya n ASP 72 N -1.98 2.89 -1.50 6.43 8.00 -1.26 -4.58 116.55 124.55 1nya n ASP 72 Ca 0.01 -2.39 0.00 0.00 0.71 0.00 0.00 54.79 53.11 1nya n ASP 72 Cb 0.10 -0.28 0.00 0.00 -0.02 0.00 0.00 41.12 40.92 1nya n ASP 72 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1nya n GLY 73 N -0.21 1.09 3.11 0.44 0.00 -0.57 -4.99 105.19 104.05 1nya n GLY 73 Ca 0.12 -1.96 -0.09 0.00 0.00 0.00 0.00 46.02 44.09 1nya n GLY 73 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1nya s SER 74 N -1.00 0.22 -0.04 1.61 1.04 -1.26 -4.54 113.70 109.74 1nya s SER 74 Ca 0.00 -0.60 0.06 0.00 0.48 0.00 0.00 55.95 55.89 1nya s SER 74 Cb 0.00 0.22 -0.02 0.00 0.10 0.00 0.00 66.02 66.32 1nya s SER 74 CO 0.00 -0.52 -0.21 -0.76 0.98 0.00 0.00 173.24 172.73 1nya s LEU 75 N -2.22 2.34 0.00 2.42 1.43 -1.12 -4.88 118.68 116.65 1nya s LEU 75 Ca -0.04 -0.36 -0.09 0.00 -1.03 0.00 0.00 54.13 52.62 1nya s LEU 75 Cb -0.00 -1.43 0.15 0.00 0.03 0.00 0.00 46.19 44.94 1nya s LEU 75 CO -0.05 0.32 0.93 0.35 0.23 0.00 0.00 176.35 178.13 1nya n THR 76 N 2.43 0.00 -0.03 5.49 -2.24 -1.26 -2.43 114.28 116.25 1nya n THR 76 Ca -0.17 -0.89 -0.13 0.00 -2.27 0.00 0.00 64.05 60.59 1nya n THR 76 Cb 0.52 -1.43 -0.10 0.00 -2.10 0.00 0.00 70.33 67.21 1nya n THR 76 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1nya h GLU 77 N 0.00 0.04 -0.28 -0.78 4.81 -2.00 -1.44 114.58 114.93 1nya h GLU 77 Ca -0.30 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 58.92 1nya h GLU 77 Cb 0.91 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.28 1nya h GLU 77 CO 0.24 0.61 0.19 0.93 -0.73 0.00 0.00 179.01 180.25 1nya h GLU 78 N -0.53 0.30 -0.14 1.92 5.08 -2.00 -1.73 114.58 117.48 1nya h GLU 78 Ca 0.00 -0.02 -0.14 0.00 -1.00 0.00 0.00 59.36 58.20 1nya h GLU 78 Cb 0.61 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1nya h GLU 78 CO 0.01 0.20 -0.48 1.96 -1.00 0.00 0.00 179.01 179.70 1nya h GLN 79 N 0.31 0.57 -0.03 2.33 1.08 -1.93 -2.98 115.11 114.46 1nya h GLN 79 Ca 0.11 -0.43 0.03 0.00 -1.45 0.00 0.00 58.65 56.92 1nya h GLN 79 Cb 0.06 0.08 -0.06 0.00 -0.05 0.00 0.00 27.48 27.51 1nya h GLN 79 CO -0.02 1.05 -0.39 0.35 -0.95 0.00 0.00 178.83 178.86 1nya h PHE 80 N 0.20 -1.11 -0.27 2.96 3.57 -0.37 -0.77 116.94 121.15 1nya h PHE 80 Ca -0.02 0.04 0.06 0.00 3.53 0.00 0.00 57.97 61.57 1nya h PHE 80 Cb 1.10 0.49 -0.05 0.00 2.79 0.00 0.00 35.95 40.28 1nya h PHE 80 CO 0.10 -0.47 -0.09 0.82 -2.23 0.00 0.00 178.31 176.45 1nya h ILE 81 N -0.53 0.69 -0.04 1.41 2.04 -1.51 0.96 117.51 120.53 1nya h ILE 81 Ca 0.06 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.95 1nya h ILE 81 Cb 0.62 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 37.36 1nya h ILE 81 CO -0.32 0.00 -0.13 -0.09 0.00 0.00 0.00 178.15 177.61 1nya h ARG 82 N -0.03 -0.18 -0.24 2.37 2.43 -1.30 0.16 114.38 117.59 1nya h ARG 82 Ca 0.13 0.01 -0.20 0.00 -0.81 0.00 0.00 59.98 59.12 1nya h ARG 82 Cb 0.23 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 1nya h ARG 82 CO -0.30 -0.12 -0.62 0.28 -1.51 0.00 0.00 179.97 177.70 1nya h VAL 83 N -0.19 1.28 -0.55 0.20 2.07 -0.87 -3.19 116.25 115.00 1nya h VAL 83 Ca 0.06 -1.82 -0.00 0.00 0.82 0.00 0.00 66.70 65.76 1nya h VAL 83 Cb 0.27 1.75 -0.03 0.00 -1.52 0.00 0.00 31.29 31.77 1nya h VAL 83 CO -0.16 0.59 0.34 0.71 0.02 0.00 0.00 177.57 179.07 1nya h THR 84 N 0.61 1.16 -0.27 2.57 1.35 0.12 -2.54 112.91 115.91 1nya h THR 84 Ca -0.01 -0.34 0.06 0.00 -0.55 0.00 0.00 66.41 65.57 1nya h THR 84 Cb 1.24 0.41 -0.08 0.00 -1.73 0.00 0.00 68.15 67.98 1nya h THR 84 CO 0.13 0.16 -0.31 -0.33 -0.25 0.00 0.00 175.52 174.93 1nya h GLU 85 N 0.74 -0.29 -0.77 4.72 5.08 -0.68 -0.64 114.58 122.74 1nya h GLU 85 Ca 0.20 0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.64 1nya h GLU 85 Cb -0.03 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.24 1nya h GLU 85 CO -0.04 -0.20 0.50 -0.91 -1.00 0.00 0.00 179.01 177.37 1nya h ASN 86 N -0.31 0.73 -0.74 1.42 4.21 -1.51 -1.91 115.58 117.48 1nya h ASN 86 Ca 0.14 0.00 0.05 0.00 1.21 0.00 0.00 56.30 57.70 1nya h ASN 86 Cb 0.53 -0.16 -0.05 0.00 -1.12 0.00 0.00 38.32 37.52 1nya h ASN 86 CO -0.44 0.48 0.44 -0.07 -1.29 0.00 0.00 177.43 176.55 1nya h LEU 87 N 0.83 0.69 0.12 1.61 3.38 -0.70 1.18 115.31 122.42 1nya h LEU 87 Ca 0.33 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.31 1nya h LEU 87 Cb 0.22 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1nya h LEU 87 CO -0.11 0.45 -0.06 0.40 0.09 0.00 0.00 178.44 179.21 1nya h ILE 88 N 0.82 1.02 0.00 1.22 2.04 -0.93 -3.42 117.51 118.26 1nya h ILE 88 Ca 0.32 -1.22 0.00 0.00 1.00 0.00 0.00 64.86 64.96 1nya h ILE 88 Cb 0.15 1.71 0.00 0.00 -0.74 0.00 0.00 36.82 37.94 1nya h ILE 88 CO -0.16 0.26 -0.05 -0.26 0.00 0.00 0.00 178.15 177.94 1nya h PHE 89 N -0.80 0.00 -0.41 1.37 0.04 -1.27 -3.46 116.94 112.41 1nya h PHE 89 Ca -0.02 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.75 1nya h PHE 89 Cb 0.55 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.70 1nya h PHE 89 CO 0.10 0.00 0.00 -1.91 -0.60 0.00 0.00 178.31 175.90 1nya n GLU 90 N -2.51 -0.01 0.00 1.51 2.13 0.41 -4.18 120.64 117.98 1nya n GLU 90 Ca -0.01 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.81 1nya n GLU 90 Cb 0.03 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.74 1nya n GLU 90 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 1nya n GLN 91 N -0.82 0.00 0.00 5.31 3.00 -1.20 -4.55 117.38 119.12 1nya n GLN 91 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1nya n GLN 91 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 1nya n GLN 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1nya n GLY 92 N 0.00 1.88 0.52 1.08 0.00 -1.26 -4.77 105.19 102.64 1nya n GLY 92 Ca 0.00 -1.95 -0.20 0.00 0.00 0.00 0.00 46.02 43.87 1nya n GLY 92 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1nya h GLU 93 N 0.00 -1.17 0.00 1.61 3.07 -1.92 -2.19 114.58 113.98 1nya h GLU 93 Ca 0.00 0.08 0.00 0.00 -0.50 0.00 0.00 59.36 58.94 1nya h GLU 93 Cb 0.00 0.27 0.00 0.00 -0.84 0.00 0.00 28.75 28.18 1nya h GLU 93 CO 0.00 -0.78 0.11 0.00 -1.40 0.00 0.00 179.01 176.93 1nya h ALA 94 N -1.16 1.10 0.07 3.43 0.00 -1.98 -1.04 119.26 119.68 1nya h ALA 94 Ca -0.11 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.66 1nya h ALA 94 Cb 0.98 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.78 1nya h ALA 94 CO 0.10 -0.10 -0.62 0.66 0.00 0.00 0.00 179.25 179.30 1nya h SER 95 N 0.00 0.41 -0.33 0.00 4.64 -1.71 -1.98 113.55 114.58 1nya h SER 95 Ca 0.00 -0.89 -0.16 0.00 -0.47 0.00 0.00 61.79 60.27 1nya h SER 95 Cb 0.21 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1nya h SER 95 CO 0.00 1.26 -0.43 0.15 -0.87 0.00 0.00 176.83 176.94 1nya h PHE 96 N -0.37 1.06 -0.24 4.77 3.57 -0.82 -3.04 116.94 121.87 1nya h PHE 96 Ca -0.10 -0.35 -0.11 0.00 3.53 0.00 0.00 57.97 60.94 1nya h PHE 96 Cb 1.42 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.94 1nya h PHE 96 CO 0.19 1.16 -0.32 -0.97 -2.23 0.00 0.00 178.31 176.14 1nya h ASN 97 N 0.66 0.52 0.58 0.41 -0.00 -1.34 -0.00 115.58 116.41 1nya h ASN 97 Ca 0.04 -0.20 -0.03 0.00 -0.00 0.00 0.00 56.30 56.11 1nya h ASN 97 Cb 1.03 -0.14 0.01 0.00 -0.00 0.00 0.00 38.32 39.21 1nya h ASN 97 CO 0.10 0.82 -0.28 0.03 -0.00 0.00 0.00 177.43 178.10 1nya h ARG 98 N 0.44 -0.76 0.11 6.67 3.08 -1.31 0.54 114.38 123.16 1nya h ARG 98 Ca 0.05 0.05 -0.27 0.00 0.07 0.00 0.00 59.98 59.88 1nya h ARG 98 Cb 0.78 0.17 0.01 0.00 0.08 0.00 0.00 29.97 31.01 1nya h ARG 98 CO 0.06 -0.46 -1.20 0.28 -1.07 0.00 0.00 179.97 177.58 1nya h VAL 99 N -0.92 1.43 0.00 2.04 2.07 -1.59 -3.35 116.25 115.92 1nya h VAL 99 Ca -0.08 -2.82 -0.17 0.00 0.82 0.00 0.00 66.70 64.45 1nya h VAL 99 Cb 0.65 2.81 -0.03 0.00 -1.52 0.00 0.00 31.29 33.20 1nya h VAL 99 CO 0.13 0.83 -1.38 0.25 0.02 0.00 0.00 177.57 177.42 1nya h LEU 100 N 0.14 0.00 -0.54 2.57 5.85 -1.08 -3.38 115.31 118.86 1nya h LEU 100 Ca -0.14 0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.64 1nya h LEU 100 Cb 1.90 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 42.84 1nya h LEU 100 CO 0.21 0.61 -0.54 1.23 -0.34 0.00 0.00 178.44 179.61 1nya h GLY 101 N 3.68 -0.85 2.00 3.75 0.00 0.03 0.40 103.07 112.07 1nya h GLY 101 Ca -0.16 0.70 0.00 0.00 0.00 0.00 0.00 47.33 47.86 1nya h GLY 101 CO 0.05 -0.10 0.00 -2.55 0.00 0.00 0.00 176.54 173.94 1nya h PRO 102 N -0.30 0.00 0.04 4.80 0.11 -1.76 0.20 132.00 135.09 1nya h PRO 102 Ca 0.11 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.16 1nya h PRO 102 Cb 0.56 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.68 1nya h PRO 102 CO -0.67 0.00 -0.26 0.28 -0.21 0.00 0.00 178.00 177.13 1nya h VAL 103 N 0.00 1.69 -0.15 3.15 2.07 -0.54 -3.10 116.25 119.37 1nya h VAL 103 Ca 0.00 -2.37 -0.13 0.00 0.82 0.00 0.00 66.70 65.02 1nya h VAL 103 Cb 0.16 3.29 -0.01 0.00 -1.52 0.00 0.00 31.29 33.21 1nya h VAL 103 CO 0.00 0.64 -0.46 0.58 0.02 0.00 0.00 177.57 178.35 1nya h VAL 104 N -0.77 1.32 0.29 2.57 2.07 -0.43 -3.21 116.25 118.10 1nya h VAL 104 Ca -0.05 -1.65 0.00 0.00 0.82 0.00 0.00 66.70 65.83 1nya h VAL 104 Cb 1.19 1.71 -0.03 0.00 -1.52 0.00 0.00 31.29 32.64 1nya h VAL 104 CO 0.05 0.50 -0.39 0.50 0.02 0.00 0.00 177.57 178.25 1nya h LYS 105 N 0.30 -0.71 -1.09 1.57 3.64 -1.06 -0.23 116.57 119.00 1nya h LYS 105 Ca 0.02 0.05 0.35 0.00 -1.27 0.00 0.00 60.65 59.79 1nya h LYS 105 Cb 0.92 0.16 -0.14 0.00 -0.41 0.00 0.00 32.23 32.77 1nya h LYS 105 CO 0.08 -0.47 0.65 0.78 -2.27 0.00 0.00 179.45 178.22 1nya h GLY 106 N -0.73 1.77 1.29 5.01 0.00 -1.54 0.50 103.07 109.37 1nya h GLY 106 Ca -0.01 -0.20 -0.23 0.00 0.00 0.00 0.00 47.33 46.89 1nya h GLY 106 CO -0.12 -0.43 -0.85 -2.22 0.00 0.00 0.00 176.54 172.91 1nya h ILE 107 N 0.26 1.30 -0.49 2.60 1.08 -1.38 -3.15 117.51 117.74 1nya h ILE 107 Ca 0.74 -2.11 -0.02 0.00 -0.39 0.00 0.00 64.86 63.08 1nya h ILE 107 Cb 1.89 2.14 -0.02 0.00 -3.07 0.00 0.00 36.82 37.76 1nya h ILE 107 CO -0.52 0.66 0.22 0.58 -0.69 0.00 0.00 178.15 178.39 1nya h VAL 108 N 0.44 1.17 0.00 1.67 2.07 0.17 -1.83 116.25 119.93 1nya h VAL 108 Ca -0.07 -0.51 -0.07 0.00 0.82 0.00 0.00 66.70 66.87 1nya h VAL 108 Cb 1.48 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 1nya h VAL 108 CO 0.17 0.20 -0.36 1.23 0.02 0.00 0.00 177.57 178.84 1nya h GLY 109 N 0.81 0.00 1.89 2.17 0.00 -1.20 -1.57 103.07 105.17 1nya h GLY 109 Ca 0.17 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.28 1nya h GLY 109 CO -0.02 0.00 -1.08 -0.33 0.00 0.00 0.00 176.54 175.11 1nya h MET 110 N 0.00 0.04 0.13 4.80 2.07 -1.32 -3.30 114.93 117.35 1nya h MET 110 Ca -0.00 -0.07 -0.33 0.00 -2.07 0.00 0.00 59.70 57.23 1nya h MET 110 Cb 0.86 0.02 -0.01 0.00 -1.87 0.00 0.00 31.60 30.60 1nya h MET 110 CO 0.05 1.00 -1.74 0.00 1.07 0.00 0.00 176.91 177.29 1nya n ASP 112 N -3.45 0.00 0.00 0.00 9.92 -0.60 -4.76 116.55 117.65 1nya n ASP 112 Ca -0.23 0.83 0.00 0.00 -0.53 0.00 0.00 54.79 54.86 1nya n ASP 112 Cb 1.06 -0.42 0.00 0.00 -0.64 0.00 0.00 41.12 41.12 1nya n ASP 112 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1nya n LYS 113 N -1.75 0.00 -0.01 -1.24 4.81 -1.24 -4.82 118.16 113.91 1nya n LYS 113 Ca 0.00 0.00 0.05 0.00 -0.87 0.00 0.00 58.31 57.49 1nya n LYS 113 Cb 0.00 -2.43 -0.10 0.00 0.02 0.00 0.00 35.03 32.52 1nya n LYS 113 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 1nya n ASN 114 N 0.00 1.98 -1.41 3.14 0.23 -1.26 -5.03 115.26 112.92 1nya n ASN 114 Ca 0.00 0.00 -0.05 0.00 -0.53 0.00 0.00 54.58 54.00 1nya n ASN 114 Cb 0.00 1.51 0.02 0.00 -2.08 0.00 0.00 39.78 39.23 1nya n ASN 114 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1nya n ALA 115 N -2.02 -0.39 0.24 -2.53 0.00 -1.26 -4.98 120.51 109.58 1nya n ALA 115 Ca -0.04 0.03 0.07 0.00 0.00 0.00 0.00 53.44 53.50 1nya n ALA 115 Cb 0.41 -1.24 -0.10 0.00 0.00 0.00 0.00 19.45 18.52 1nya n ALA 115 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1nya n ASP 116 N -0.66 1.26 0.00 0.00 5.68 -1.26 -5.00 116.55 116.58 1nya n ASP 116 Ca -0.04 -0.31 0.00 0.00 -0.50 0.00 0.00 54.79 53.95 1nya n ASP 116 Cb 0.53 1.43 0.00 0.00 -1.14 0.00 0.00 41.12 41.94 1nya n ASP 116 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1nya n GLY 117 N 1.54 0.62 3.46 6.12 0.00 -1.26 -5.03 105.19 110.64 1nya n GLY 117 Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 1nya n GLY 117 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1nya s GLN 118 N -0.07 1.64 -0.43 1.61 -2.07 -1.26 -4.61 119.66 114.47 1nya s GLN 118 Ca 0.00 -1.82 -0.04 0.00 -1.82 0.00 0.00 55.36 51.68 1nya s GLN 118 Cb 0.00 -1.41 0.11 0.00 -1.09 0.00 0.00 33.01 30.63 1nya s GLN 118 CO 0.00 0.12 0.24 0.42 -1.32 0.00 0.00 175.29 174.75 1nya s ILE 119 N -2.81 3.51 0.47 3.63 -1.09 -0.23 -4.75 121.20 119.92 1nya s ILE 119 Ca 0.30 -2.02 -0.08 0.00 -2.23 0.00 0.00 60.65 56.61 1nya s ILE 119 Cb 0.02 -3.38 -0.05 0.00 -1.58 0.00 0.00 42.46 37.47 1nya s ILE 119 CO 0.13 -0.72 0.82 0.20 -1.23 0.00 0.00 174.94 174.14 1nya s ASN 120 N 1.99 6.37 0.35 3.58 0.01 -1.26 -1.82 114.94 124.16 1nya s ASN 120 Ca 0.08 1.09 0.14 0.00 -0.71 0.00 0.00 52.86 53.46 1nya s ASN 120 Cb -0.23 -2.31 1.01 0.00 0.41 0.00 0.00 41.25 40.12 1nya s ASN 120 CO -0.03 -0.55 1.73 0.00 -1.51 0.00 0.00 177.10 176.73 1nya h ALA 121 N 0.57 2.00 0.00 0.60 0.00 -1.98 1.55 119.26 122.00 1nya h ALA 121 Ca -0.47 0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.47 1nya h ALA 121 Cb 1.20 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1nya h ALA 121 CO 0.62 -0.48 -0.42 -0.44 0.00 0.00 0.00 179.25 178.53 1nya h ASP 122 N 0.46 0.00 0.05 0.00 5.19 -1.98 -1.29 116.42 118.86 1nya h ASP 122 Ca 0.65 0.00 -0.14 0.00 -0.62 0.00 0.00 57.03 56.93 1nya h ASP 122 Cb 1.45 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.96 1nya h ASP 122 CO -0.44 0.42 -0.69 -0.33 -3.12 0.00 0.00 179.24 175.09 1nya h GLU 123 N 0.00 0.12 -0.08 3.56 5.08 0.13 -3.19 114.58 120.19 1nya h GLU 123 Ca -0.00 -0.20 0.03 0.00 -1.00 0.00 0.00 59.36 58.19 1nya h GLU 123 Cb 0.84 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 30.13 1nya h GLU 123 CO 0.05 1.10 -0.12 0.35 -1.00 0.00 0.00 179.01 179.39 1nya h PHE 124 N -0.72 -0.32 -0.83 4.33 3.57 0.16 -2.08 116.94 121.05 1nya h PHE 124 Ca -0.15 0.02 0.12 0.00 3.53 0.00 0.00 57.97 61.48 1nya h PHE 124 Cb 1.35 0.15 -0.08 0.00 2.79 0.00 0.00 35.95 40.16 1nya h PHE 124 CO 0.20 -0.19 0.45 0.00 -2.23 0.00 0.00 178.31 176.55 1nya h ALA 125 N 0.86 1.22 -0.77 2.41 0.00 -1.39 0.46 119.26 122.06 1nya h ALA 125 Ca 0.07 0.06 0.16 0.00 0.00 0.00 0.00 54.91 55.20 1nya h ALA 125 Cb 0.27 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 1nya h ALA 125 CO -0.18 0.01 0.52 0.00 0.00 0.00 0.00 179.25 179.59 1nya h ALA 126 N 1.50 2.19 0.01 0.00 0.00 -1.36 -0.69 119.26 120.90 1nya h ALA 126 Ca 0.43 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.26 1nya h ALA 126 Cb 0.50 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1nya h ALA 126 CO -0.30 -0.40 -0.41 2.35 0.00 0.00 0.00 179.25 180.49 1nya h TRP 127 N 0.36 0.04 -0.59 0.00 7.01 -0.77 -2.85 115.95 119.16 1nya h TRP 127 Ca 0.38 -0.03 0.09 0.00 2.11 0.00 0.00 58.89 61.44 1nya h TRP 127 Cb 0.95 -0.00 -0.07 0.00 -2.10 0.00 0.00 29.16 27.94 1nya h TRP 127 CO -0.00 1.16 0.22 -0.07 -2.79 0.00 0.00 178.44 176.95 1nya h LEU 128 N -0.95 0.21 -1.33 0.65 4.07 -0.91 0.35 115.31 117.41 1nya h LEU 128 Ca -0.11 0.07 -0.01 0.00 0.08 0.00 0.00 57.88 57.92 1nya h LEU 128 Cb 1.13 0.06 -0.00 0.00 1.08 0.00 0.00 40.66 42.93 1nya h LEU 128 CO -0.04 0.13 -0.06 0.71 -1.08 0.00 0.00 178.44 178.10 1nya h THR 129 N 0.40 0.14 -0.50 0.22 1.35 -1.26 -1.62 112.91 111.63 1nya h THR 129 Ca 0.29 -0.68 -0.08 0.00 -0.55 0.00 0.00 66.41 65.40 1nya h THR 129 Cb 0.35 1.59 -0.02 0.00 -1.73 0.00 0.00 68.15 68.34 1nya h THR 129 CO -0.29 0.05 0.01 0.00 -0.25 0.00 0.00 175.52 175.04 1nya h ALA 130 N 1.94 1.06 -0.01 6.62 0.00 -0.06 -2.65 119.26 126.17 1nya h ALA 130 Ca -0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1nya h ALA 130 Cb 0.59 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1nya h ALA 130 CO 0.01 0.59 -0.07 1.28 0.00 0.00 0.00 179.25 181.05 1nya n LEU 131 N -4.21 0.90 0.00 0.00 4.77 -0.92 -4.88 117.00 112.66 1nya n LEU 131 Ca 0.03 -0.24 0.00 0.00 -0.03 0.00 0.00 56.01 55.76 1nya n LEU 131 Cb 0.31 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 1nya n LEU 131 CO 0.42 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 1nya n GLY 132 N 1.20 1.98 3.89 -0.72 0.00 -1.00 -4.78 105.19 105.76 1nya n GLY 132 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 1nya n GLY 132 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1nya s MET 133 N -0.49 3.25 0.55 1.61 -1.94 -0.63 -4.98 119.30 116.67 1nya s MET 133 Ca 0.00 -0.63 -0.09 0.00 -1.71 0.00 0.00 55.69 53.27 1nya s MET 133 Cb 0.00 -2.88 -0.04 0.00 2.01 0.00 0.00 34.83 33.92 1nya s MET 133 CO 0.00 0.54 0.92 -1.12 -0.01 0.00 0.00 175.02 175.35 1nya s SER 134 N -2.92 6.26 0.44 3.03 0.01 -1.26 -3.99 113.70 115.26 1nya s SER 134 Ca 0.33 1.21 0.30 0.00 1.31 0.00 0.00 55.95 59.10 1nya s SER 134 Cb -0.11 -2.37 1.55 0.00 0.21 0.00 0.00 66.02 65.29 1nya s SER 134 CO 0.26 -0.73 1.91 0.50 0.41 0.00 0.00 173.24 175.59 1nya h LYS 135 N -0.03 0.00 0.00 12.44 3.64 -1.98 -1.01 116.57 129.63 1nya h LYS 135 Ca -0.45 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 58.75 1nya h LYS 135 Cb 1.20 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.99 1nya h LYS 135 CO 0.62 0.00 -0.96 0.00 -2.27 0.00 0.00 179.45 176.83 1nya h ALA 136 N 2.04 0.56 -0.10 5.00 0.00 -2.01 -3.27 119.26 121.49 1nya h ALA 136 Ca 0.00 -0.80 -0.19 0.00 0.00 0.00 0.00 54.91 53.92 1nya h ALA 136 Cb 0.09 0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.90 1nya h ALA 136 CO 0.00 1.01 -0.68 1.49 0.00 0.00 0.00 179.25 181.07 1nya h GLU 137 N 0.00 0.64 0.73 0.00 4.81 -1.55 -2.98 114.58 116.23 1nya h GLU 137 Ca -0.06 -0.55 -0.03 0.00 -0.13 0.00 0.00 59.36 58.58 1nya h GLU 137 Cb 1.63 0.12 0.00 0.00 0.63 0.00 0.00 28.75 31.14 1nya h GLU 137 CO 0.09 1.17 -0.39 0.00 -0.73 0.00 0.00 179.01 179.15 1nya h ALA 138 N 0.48 -1.05 -0.81 2.92 0.00 -1.65 0.58 119.26 119.74 1nya h ALA 138 Ca -0.06 -0.22 0.18 0.00 0.00 0.00 0.00 54.91 54.81 1nya h ALA 138 Cb 1.33 0.45 -0.11 0.00 0.00 0.00 0.00 17.79 19.45 1nya h ALA 138 CO 0.14 -1.10 0.31 0.00 0.00 0.00 0.00 179.25 178.60 1nya h ALA 139 N -0.80 1.18 -0.06 0.00 0.00 -1.67 0.40 119.26 118.32 1nya h ALA 139 Ca -0.10 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1nya h ALA 139 Cb 0.81 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 1nya h ALA 139 CO 0.14 -0.28 -0.09 0.93 0.00 0.00 0.00 179.25 179.95 1nya h GLU 140 N 0.39 0.16 -0.37 0.00 5.08 -1.33 -3.15 114.58 115.36 1nya h GLU 140 Ca 0.47 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.71 1nya h GLU 140 Cb 0.81 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 1nya h GLU 140 CO -0.48 0.65 0.11 0.00 -1.00 0.00 0.00 179.01 178.30 1nya h ALA 141 N 0.50 1.51 0.63 3.43 0.00 0.96 -2.74 119.26 123.55 1nya h ALA 141 Ca 0.01 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1nya h ALA 141 Cb 0.64 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1nya h ALA 141 CO 0.02 0.37 -0.46 0.35 0.00 0.00 0.00 179.25 179.53 1nya h PHE 142 N 0.53 -1.24 -0.76 0.00 3.04 -0.24 -2.17 116.94 116.09 1nya h PHE 142 Ca 0.13 -0.00 0.09 0.00 3.98 0.00 0.00 57.97 62.16 1nya h PHE 142 Cb 0.16 0.46 -0.05 0.00 2.56 0.00 0.00 35.95 39.08 1nya h PHE 142 CO 0.01 -0.66 0.50 -0.97 -2.02 0.00 0.00 178.31 175.16 1nya h ASN 143 N -1.05 0.63 0.53 0.41 -1.24 -1.49 -0.70 115.58 112.68 1nya h ASN 143 Ca -0.08 0.01 -0.07 0.00 0.71 0.00 0.00 56.30 56.88 1nya h ASN 143 Cb 0.87 -0.12 -0.01 0.00 0.73 0.00 0.00 38.32 39.79 1nya h ASN 143 CO 0.03 0.38 -0.32 0.06 -1.29 0.00 0.00 177.43 176.30 1nya h GLN 144 N 0.71 0.00 0.13 6.67 3.07 -1.24 -3.14 115.11 121.31 1nya h GLN 144 Ca 0.35 0.00 -0.32 0.00 0.09 0.00 0.00 58.65 58.77 1nya h GLN 144 Cb 0.42 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.98 1nya h GLN 144 CO -0.13 0.32 -1.58 0.28 0.09 0.00 0.00 178.83 177.80 1nya h VAL 145 N 0.00 1.10 -0.12 1.86 2.07 -0.52 -3.42 116.25 117.21 1nya h VAL 145 Ca -0.00 -2.73 -0.11 0.00 0.82 0.00 0.00 66.70 64.68 1nya h VAL 145 Cb 0.67 2.75 0.01 0.00 -1.52 0.00 0.00 31.29 33.20 1nya h VAL 145 CO 0.04 0.82 0.31 -0.67 0.02 0.00 0.00 177.57 178.09 1nya n ASP 146 N -3.48 1.55 -0.18 0.57 -0.08 -0.58 -4.71 116.55 109.65 1nya n ASP 146 Ca -0.18 -2.52 0.09 0.00 -1.51 0.00 0.00 54.79 50.67 1nya n ASP 146 Cb 1.05 -1.62 0.40 0.00 2.34 0.00 0.00 41.12 43.29 1nya n ASP 146 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 1nya h THR 147 N 6.44 0.94 -0.47 5.18 2.02 -1.85 -1.26 112.91 123.91 1nya h THR 147 Ca 0.06 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 67.02 1nya h THR 147 Cb 0.96 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.60 1nya h THR 147 CO 1.14 0.12 0.00 -0.46 0.37 0.00 0.00 175.52 176.69 1nya n ASN 148 N -4.49 3.09 -3.52 4.18 0.23 -1.26 -4.94 115.26 108.55 1nya n ASN 148 Ca 0.12 -1.96 -0.23 0.00 -0.53 0.00 0.00 54.58 51.99 1nya n ASN 148 Cb 0.33 -0.31 -0.03 0.00 -2.08 0.00 0.00 39.78 37.68 1nya n ASN 148 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1nya n GLY 149 N 1.43 -0.46 0.19 4.83 0.00 -0.48 -4.77 105.19 105.94 1nya n GLY 149 Ca 0.19 0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.39 1nya n GLY 149 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1nya n ASN 150 N -2.07 0.99 0.00 1.61 6.94 -1.26 -4.94 115.26 116.53 1nya n ASN 150 Ca 0.04 -0.80 0.00 0.00 -0.02 0.00 0.00 54.58 53.81 1nya n ASN 150 Cb 0.49 0.25 0.00 0.00 -2.36 0.00 0.00 39.78 38.16 1nya n ASN 150 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1nya n GLY 151 N 1.40 0.74 2.97 4.83 0.00 -1.26 -5.04 105.19 108.83 1nya n GLY 151 Ca 0.10 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.92 1nya n GLY 151 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nya s GLU 152 N -0.41 0.89 -0.58 1.61 2.02 -1.26 -4.64 118.70 116.33 1nya s GLU 152 Ca 0.00 -0.25 -0.17 0.00 0.02 0.00 0.00 54.97 54.57 1nya s GLU 152 Cb 0.00 -0.84 0.12 0.00 0.10 0.00 0.00 34.13 33.51 1nya s GLU 152 CO 0.00 0.07 0.61 -0.51 0.02 0.00 0.00 175.26 175.45 1nya s LEU 153 N 0.33 5.82 0.55 1.80 1.43 -0.75 -4.90 118.68 122.95 1nya s LEU 153 Ca -0.05 -1.66 -0.05 0.00 -1.03 0.00 0.00 54.13 51.34 1nya s LEU 153 Cb -0.09 -2.26 -0.01 0.00 0.03 0.00 0.00 46.19 43.86 1nya s LEU 153 CO 0.00 -0.98 0.85 -0.94 0.23 0.00 0.00 176.35 175.52 1nya s SER 154 N 3.57 5.81 0.27 2.29 1.04 -1.26 -1.07 113.70 124.35 1nya s SER 154 Ca 0.08 0.74 -0.00 0.00 0.48 0.00 0.00 55.95 57.25 1nya s SER 154 Cb -0.26 -1.85 0.61 0.00 0.10 0.00 0.00 66.02 64.62 1nya s SER 154 CO 0.04 -0.89 1.68 -0.07 0.98 0.00 0.00 173.24 174.98 1nya h LEU 155 N -0.01 0.13 0.62 2.42 4.07 -1.97 0.62 115.31 121.19 1nya h LEU 155 Ca -0.46 0.16 -0.02 0.00 0.08 0.00 0.00 57.88 57.64 1nya h LEU 155 Cb 1.24 0.19 -0.01 0.00 1.08 0.00 0.00 40.66 43.15 1nya h LEU 155 CO 0.61 -0.05 -0.49 -0.78 -1.08 0.00 0.00 178.44 176.65 1nya h ASP 156 N 0.31 -1.30 0.39 -0.43 1.82 -1.99 -2.02 116.42 113.20 1nya h ASP 156 Ca 0.50 0.09 0.00 0.00 -0.39 0.00 0.00 57.03 57.23 1nya h ASP 156 Cb 0.92 0.41 0.00 0.00 0.68 0.00 0.00 39.33 41.34 1nya h ASP 156 CO -0.55 -0.70 0.00 -0.33 -1.61 0.00 0.00 179.24 176.05 1nya h GLU 157 N -1.08 0.00 0.29 0.28 5.08 -1.74 -3.00 114.58 114.41 1nya h GLU 157 Ca -0.08 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1nya h GLU 157 Cb 0.90 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.16 1nya h GLU 157 CO 0.01 0.00 -0.14 -0.07 -1.00 0.00 0.00 179.01 177.81 1nya h LEU 158 N 0.00 -0.33 -1.01 1.33 3.38 -0.17 -3.02 115.31 115.50 1nya h LEU 158 Ca 0.00 -0.20 0.05 0.00 0.09 0.00 0.00 57.88 57.82 1nya h LEU 158 Cb 0.19 0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.96 1nya h LEU 158 CO 0.00 0.14 0.66 -0.07 0.09 0.00 0.00 178.44 179.25 1nya h LEU 159 N -0.92 1.07 0.24 1.67 3.38 -1.34 0.45 115.31 119.86 1nya h LEU 159 Ca -0.04 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1nya h LEU 159 Cb 0.51 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 1nya h LEU 159 CO 0.06 0.70 -0.40 0.71 0.09 0.00 0.00 178.44 179.61 1nya h THR 160 N 1.22 0.00 0.52 0.22 1.35 -1.59 -3.13 112.91 111.50 1nya h THR 160 Ca 0.42 0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 66.26 1nya h THR 160 Cb 0.10 0.00 0.01 0.00 -1.73 0.00 0.00 68.15 66.52 1nya h THR 160 CO -0.15 0.00 -0.25 0.00 -0.25 0.00 0.00 175.52 174.87 1nya h ALA 161 N -0.93 -0.69 -2.15 6.62 0.00 -1.37 -3.43 119.26 117.31 1nya h ALA 161 Ca -0.03 -0.19 -0.60 0.00 0.00 0.00 0.00 54.91 54.09 1nya h ALA 161 Cb 0.63 0.27 0.08 0.00 0.00 0.00 0.00 17.79 18.77 1nya h ALA 161 CO -0.14 -0.80 0.47 0.28 0.00 0.00 0.00 179.25 179.07 1nya n VAL 162 N -5.32 1.07 -3.10 0.00 0.31 0.16 -3.39 118.33 108.05 1nya n VAL 162 Ca -0.11 -0.27 -0.07 0.00 -0.01 0.00 0.00 64.34 63.88 1nya n VAL 162 Cb 0.32 -1.26 0.00 0.00 -0.91 0.00 0.00 33.84 31.99 1nya n VAL 162 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1nya n ARG 163 N 1.78 -1.68 -3.42 5.55 3.00 -1.24 -4.73 116.66 115.92 1nya n ARG 163 Ca 0.12 1.60 -0.17 0.00 -0.00 0.00 0.00 57.85 59.39 1nya n ARG 163 Cb 0.30 -5.19 -0.10 0.00 0.00 0.00 0.00 32.46 27.47 1nya n ARG 163 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1nya s ASP 164 N -2.81 1.62 -0.29 6.15 1.11 -1.22 -4.99 116.67 116.24 1nya s ASP 164 Ca 0.09 -0.63 -0.27 0.00 0.18 0.00 0.00 52.55 51.93 1nya s ASP 164 Cb -0.02 0.48 0.19 0.00 1.07 0.00 0.00 42.92 44.64 1nya s ASP 164 CO 0.78 -0.38 1.40 0.72 1.18 0.00 0.00 175.17 178.88 1nya s PHE 165 N 2.35 -0.05 0.00 4.23 -0.71 -1.26 -3.19 117.98 119.35 1nya s PHE 165 Ca 0.09 0.12 0.00 0.00 -1.04 0.00 0.00 56.93 56.10 1nya s PHE 165 Cb -0.14 0.49 0.00 0.00 -1.21 0.00 0.00 43.02 42.15 1nya s PHE 165 CO -0.28 -0.03 0.00 1.58 -1.34 0.00 0.00 175.22 175.14 1nya n HIS 166 N 1.17 0.00 0.00 3.49 -0.00 -1.26 -5.01 115.22 113.61 1nya n HIS 166 Ca -0.06 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.12 1nya n HIS 166 Cb 0.58 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.45 1nya n HIS 166 CO 0.00 0.00 0.00 1.19 0.46 0.00 0.00 176.34 177.99 1nya n PHE 167 N 0.00 0.00 -2.78 1.57 3.01 -1.26 -2.14 117.46 115.86 1nya n PHE 167 Ca 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.45 1nya n PHE 167 Cb 0.00 -0.07 0.07 0.00 -0.01 0.00 0.00 39.48 39.48 1nya n PHE 167 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1nya n GLY 168 N 1.97 1.83 3.23 1.37 0.00 -1.26 -4.60 105.19 107.74 1nya n GLY 168 Ca 0.00 -0.79 -0.34 0.00 0.00 0.00 0.00 46.02 44.89 1nya n GLY 168 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nya n ARG 169 N -0.85 -0.65 0.00 1.61 3.00 -1.26 -5.02 116.66 113.49 1nya n ARG 169 Ca -0.00 -0.17 0.00 0.00 -0.01 0.00 0.00 57.85 57.67 1nya n ARG 169 Cb 0.83 -1.52 0.00 0.00 0.00 0.00 0.00 32.46 31.76 1nya n ARG 169 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.63 179.10 1nya n LEU 170 N 0.14 0.00 -3.10 0.55 -0.00 -1.26 -4.88 117.00 108.45 1nya n LEU 170 Ca 0.02 0.00 -0.29 0.00 -0.00 0.00 0.00 56.01 55.74 1nya n LEU 170 Cb 0.61 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.99 1nya n LEU 170 CO 0.50 0.00 2.78 -0.67 -0.00 0.00 0.00 177.39 180.00 1nya n ASP 171 N 0.00 6.83 0.00 1.45 -0.08 -1.26 -4.49 116.55 119.00 1nya n ASP 171 Ca 0.00 -2.45 0.00 0.00 -1.51 0.00 0.00 54.79 50.83 1nya n ASP 171 Cb 0.00 -1.34 0.00 0.00 2.34 0.00 0.00 41.12 42.12 1nya n ASP 171 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1nya n VAL 172 N 3.67 0.00 -2.37 5.18 0.31 -1.26 -4.94 118.33 118.91 1nya n VAL 172 Ca 0.61 0.00 0.12 0.00 -0.01 0.00 0.00 64.34 65.06 1nya n VAL 172 Cb 0.26 -0.28 -0.03 0.00 -0.91 0.00 0.00 33.84 32.88 1nya n VAL 172 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1nya n GLU 173 N 0.00 -1.72 -0.09 5.55 1.02 -1.19 -4.80 120.64 119.40 1nya n GLU 173 Ca 0.00 1.14 -0.19 0.00 -0.02 0.00 0.00 57.16 58.09 1nya n GLU 173 Cb 0.00 -2.10 -0.06 0.00 -0.02 0.00 0.00 31.44 29.25 1nya n GLU 173 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1nya n LEU 174 N 0.00 1.49 0.00 -4.62 0.00 -1.26 -3.64 117.00 108.97 1nya n LEU 174 Ca 0.01 0.25 -0.29 0.00 0.00 0.00 0.00 56.01 55.98 1nya n LEU 174 Cb 0.39 -0.61 -0.05 0.00 0.00 0.00 0.00 43.42 43.16 1nya n LEU 174 CO 0.01 0.26 -0.16 0.18 0.00 0.00 0.00 177.39 177.67 1nya n LEU 175 N -3.97 0.00 0.00 -1.96 4.32 -1.26 -4.86 117.00 109.27 1nya n LEU 175 Ca -0.34 -2.85 0.00 0.00 -0.02 0.00 0.00 56.01 52.80 1nya n LEU 175 Cb 0.70 0.25 0.00 0.00 -1.62 0.00 0.00 43.42 42.75 1nya n LEU 175 CO 0.05 -0.44 0.00 0.61 -1.22 0.00 0.00 177.39 176.39