#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nya s THR 2 N 0.00 3.52 0.00 1.09 -4.23 -1.26 -4.89 115.64 109.86 1nya s THR 2 Ca 0.00 1.52 0.00 0.00 -1.18 0.00 0.00 61.69 62.03 1nya s THR 2 Cb 0.00 -3.96 0.00 0.00 1.34 0.00 0.00 72.50 69.88 1nya s THR 2 CO 0.00 0.36 0.00 0.00 -0.54 0.00 0.00 174.62 174.44 1nya n ALA 3 N 1.17 0.55 0.11 3.99 0.00 -1.26 -4.95 120.51 120.12 1nya n ALA 3 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.42 1nya n ALA 3 Cb 0.45 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.87 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 0.00 1.13 -0.46 0.00 1.08 -1.98 -3.29 117.51 113.99 1nya h ILE 4 Ca 0.00 -2.60 -0.05 0.00 -0.39 0.00 0.00 64.86 61.82 1nya h ILE 4 Cb 0.00 2.55 -0.02 0.00 -3.07 0.00 0.00 36.82 36.28 1nya h ILE 4 CO 0.00 0.64 0.08 0.00 -0.69 0.00 0.00 178.15 178.19 1nya h ALA 5 N 1.33 1.28 -0.03 1.87 0.00 -1.93 -2.99 119.26 118.80 1nya h ALA 5 Ca -0.01 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1nya h ALA 5 Cb 1.52 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 1nya h ALA 5 CO 0.09 0.50 0.02 0.66 0.00 0.00 0.00 179.25 180.51 1nya h SER 6 N 0.68 0.03 -0.28 0.00 4.64 -1.93 -1.72 113.55 114.98 1nya h SER 6 Ca 0.15 -0.04 0.04 0.00 -0.47 0.00 0.00 61.79 61.48 1nya h SER 6 Cb 0.30 -0.01 -0.04 0.00 -0.31 0.00 0.00 62.40 62.34 1nya h SER 6 CO 0.00 0.06 0.03 0.44 -0.87 0.00 0.00 176.83 176.49 1nya h ASP 7 N 0.01 -0.05 -0.17 4.97 5.19 -1.68 1.42 116.42 126.11 1nya h ASP 7 Ca 0.01 0.05 -0.00 0.00 -0.62 0.00 0.00 57.03 56.47 1nya h ASP 7 Cb 0.03 0.08 -0.01 0.00 0.18 0.00 0.00 39.33 39.62 1nya h ASP 7 CO -0.00 0.01 0.10 -0.09 -3.12 0.00 0.00 179.24 176.13 1nya h ARG 8 N 0.12 0.23 0.00 3.56 9.65 -1.43 -2.40 114.38 124.11 1nya h ARG 8 Ca 0.13 -0.02 -0.16 0.00 -1.10 0.00 0.00 59.98 58.83 1nya h ARG 8 Cb 0.16 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 28.67 1nya h ARG 8 CO -0.20 0.22 -0.76 -0.07 2.80 0.00 0.00 179.97 181.96 1nya h LEU 9 N 0.18 0.00 0.49 3.80 3.38 -1.09 -3.15 115.31 118.92 1nya h LEU 9 Ca 0.06 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1nya h LEU 9 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1nya h LEU 9 CO -0.01 0.76 -0.24 0.50 0.09 0.00 0.00 178.44 179.54 1nya h LYS 10 N 0.00 -0.63 -0.50 1.13 3.11 0.21 -3.06 116.57 116.82 1nya h LYS 10 Ca -0.01 0.04 0.02 0.00 -2.81 0.00 0.00 60.65 57.90 1nya h LYS 10 Cb 1.42 0.14 -0.03 0.00 -1.00 0.00 0.00 32.23 32.76 1nya h LYS 10 CO 0.10 -0.40 0.30 0.87 -2.81 0.00 0.00 179.45 177.51 1nya h LYS 11 N -0.71 0.57 -1.06 1.90 1.57 -1.54 -1.59 116.57 115.71 1nya h LYS 11 Ca -0.07 -0.03 0.31 0.00 -1.87 0.00 0.00 60.65 58.99 1nya h LYS 11 Cb 0.53 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.67 1nya h LYS 11 CO 0.11 0.38 0.88 -0.09 -0.57 0.00 0.00 179.45 180.16 1nya h ARG 12 N 0.59 0.00 0.33 3.15 2.43 -1.49 1.04 114.38 120.43 1nya h ARG 12 Ca 0.20 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.36 1nya h ARG 12 Cb 0.03 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 1nya h ARG 12 CO -0.10 0.00 -0.16 0.35 -1.51 0.00 0.00 179.97 178.56 1nya h PHE 13 N 0.00 -0.40 0.00 2.20 3.57 -1.20 -3.17 116.94 117.94 1nya h PHE 13 Ca 0.50 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.99 1nya h PHE 13 Cb 2.27 0.13 0.00 0.00 2.79 0.00 0.00 35.95 41.14 1nya h PHE 13 CO 0.00 -0.17 0.00 -0.25 -2.23 0.00 0.00 178.31 175.66 1nya n ASP 14 N -5.07 0.64 0.19 0.41 8.00 -0.14 -2.40 116.55 118.17 1nya n ASP 14 Ca -0.07 0.66 0.06 0.00 0.71 0.00 0.00 54.79 56.15 1nya n ASP 14 Cb 0.21 -0.79 0.30 0.00 -0.02 0.00 0.00 41.12 40.82 1nya n ASP 14 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1nya h ARG 15 N 0.00 0.00 0.00 -1.24 3.08 0.10 -3.42 114.38 112.91 1nya h ARG 15 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1nya h ARG 15 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.41 1nya h ARG 15 CO 0.00 0.37 0.00 0.91 -1.07 0.00 0.00 179.97 180.18 1nya n TRP 16 N -3.43 0.00 -3.67 3.04 7.02 -1.01 -4.99 117.44 114.40 1nya n TRP 16 Ca 0.00 0.00 -0.30 0.00 -1.02 0.00 0.00 57.50 56.18 1nya n TRP 16 Cb 0.54 0.00 0.02 0.00 -2.42 0.00 0.00 31.31 29.45 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 -4.98 -0.04 -0.99 -0.08 -1.24 -4.85 116.55 104.38 1nya n ASP 17 Ca 0.00 -0.66 -0.08 0.00 -1.51 0.00 0.00 54.79 52.54 1nya n ASP 17 Cb 0.00 -1.57 -0.02 0.00 2.34 0.00 0.00 41.12 41.87 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 0.64 -0.27 0.00 -0.67 0.04 -1.91 -2.89 116.94 111.88 1nya h PHE 18 Ca -0.61 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.18 1nya h PHE 18 Cb 1.39 0.15 0.00 0.00 2.20 0.00 0.00 35.95 39.70 1nya h PHE 18 CO 0.14 -0.17 -1.09 -0.40 -0.60 0.00 0.00 178.31 176.19 1nya n ASP 19 N -5.27 0.74 -1.52 2.17 5.75 -1.26 -5.00 116.55 112.16 1nya n ASP 19 Ca -0.02 -0.64 -0.05 0.00 -0.01 0.00 0.00 54.79 54.07 1nya n ASP 19 Cb 0.19 1.02 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 1.44 0.36 0.00 6.12 0.00 -1.09 -4.96 105.19 107.07 1nya n GLY 20 Ca 0.03 -0.37 0.12 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.78 0.61 0.00 1.61 6.94 -1.26 -4.95 115.26 117.43 1nya n ASN 21 Ca -0.04 -0.40 0.00 0.00 -0.02 0.00 0.00 54.58 54.12 1nya n ASN 21 Cb 0.53 0.42 0.00 0.00 -2.36 0.00 0.00 39.78 38.37 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 1.49 0.54 3.69 4.83 0.00 -1.26 -5.03 105.19 109.44 1nya n GLY 22 Ca 0.05 -0.83 -0.10 0.00 0.00 0.00 0.00 46.02 45.14 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 -0.35 -0.25 4.61 0.00 -1.26 -4.71 121.76 117.80 1nya s ALA 23 Ca 0.00 -0.89 -0.03 0.00 0.00 0.00 0.00 51.96 51.04 1nya s ALA 23 Cb 0.00 0.91 0.01 0.00 0.00 0.00 0.00 23.12 24.04 1nya s ALA 23 CO 0.00 -0.92 -0.02 -0.51 0.00 0.00 0.00 175.76 174.31 1nya s LEU 24 N -3.07 3.28 0.44 0.00 2.01 -0.81 -4.82 118.68 115.71 1nya s LEU 24 Ca 0.20 -0.71 0.06 0.00 0.01 0.00 0.00 54.13 53.69 1nya s LEU 24 Cb -0.03 -1.74 -0.05 0.00 0.01 0.00 0.00 46.19 44.39 1nya s LEU 24 CO 0.12 -0.12 0.13 -1.61 1.01 0.00 0.00 176.35 175.88 1nya s GLU 25 N 1.41 2.15 0.16 1.70 2.02 -1.26 -2.89 118.70 121.98 1nya s GLU 25 Ca 0.02 -2.02 -0.09 0.00 0.02 0.00 0.00 54.97 52.90 1nya s GLU 25 Cb -0.16 -1.83 0.01 0.00 0.10 0.00 0.00 34.13 32.25 1nya s GLU 25 CO -0.02 -0.18 1.50 -0.09 0.02 0.00 0.00 175.26 176.48 1nya h ARG 26 N 1.45 0.88 -0.05 1.61 2.43 -1.83 -2.77 114.38 116.10 1nya h ARG 26 Ca -0.43 -0.46 0.02 0.00 -0.81 0.00 0.00 59.98 58.30 1nya h ARG 26 Cb 1.26 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.82 1nya h ARG 26 CO 0.73 1.10 0.12 0.00 -1.51 0.00 0.00 179.97 180.41 1nya h ALA 27 N 0.84 1.39 0.00 2.80 0.00 -1.96 0.26 119.26 122.59 1nya h ALA 27 Ca 0.06 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 1nya h ALA 27 Cb 0.96 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1nya h ALA 27 CO 0.09 -0.15 -0.48 -0.44 0.00 0.00 0.00 179.25 178.27 1nya h ASP 28 N 0.00 0.00 0.34 0.00 5.19 -1.90 -2.84 116.42 117.21 1nya h ASP 28 Ca 0.03 0.00 -0.25 0.00 -0.62 0.00 0.00 57.03 56.19 1nya h ASP 28 Cb 0.26 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.78 1nya h ASP 28 CO -0.00 0.48 -1.06 -0.26 -3.12 0.00 0.00 179.24 175.28 1nya h PHE 29 N 0.00 0.68 -0.38 4.55 -1.00 -0.58 -2.99 116.94 117.22 1nya h PHE 29 Ca -0.00 -0.40 -0.04 0.00 2.81 0.00 0.00 57.97 60.33 1nya h PHE 29 Cb 0.94 -0.06 -0.02 0.00 3.61 0.00 0.00 35.95 40.43 1nya h PHE 29 CO 0.00 1.25 0.08 0.93 -1.61 0.00 0.00 178.31 178.96 1nya h GLU 30 N 0.21 0.61 -0.58 1.51 5.08 -1.39 -2.78 114.58 117.25 1nya h GLU 30 Ca -0.11 -0.15 -0.06 0.00 -1.00 0.00 0.00 59.36 58.03 1nya h GLU 30 Cb 1.72 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.87 1nya h GLU 30 CO 0.19 0.65 0.11 0.87 -1.00 0.00 0.00 179.01 179.82 1nya h LYS 31 N 0.46 0.91 0.16 2.33 1.57 -1.59 -2.80 116.57 117.62 1nya h LYS 31 Ca 0.12 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1nya h LYS 31 Cb 0.32 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 1nya h LYS 31 CO 0.00 0.84 -0.34 1.49 -0.57 0.00 0.00 179.45 180.88 1nya h GLU 32 N 0.87 -0.52 -0.70 3.15 4.22 -1.35 1.05 114.58 121.30 1nya h GLU 32 Ca 0.18 0.04 0.15 0.00 0.08 0.00 0.00 59.36 59.81 1nya h GLU 32 Cb 0.36 0.12 -0.13 0.00 0.50 0.00 0.00 28.75 29.61 1nya h GLU 32 CO 0.01 -0.35 -0.06 0.00 -2.18 0.00 0.00 179.01 176.43 1nya h ALA 33 N -1.01 0.63 0.22 2.92 0.00 -1.46 0.16 119.26 120.72 1nya h ALA 33 Ca -0.02 0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1nya h ALA 33 Cb 0.51 0.44 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1nya h ALA 33 CO -0.14 -0.42 -0.10 0.37 0.00 0.00 0.00 179.25 178.96 1nya h GLN 34 N 0.07 -0.28 -0.37 0.00 4.15 -1.16 0.35 115.11 117.87 1nya h GLN 34 Ca 0.36 0.02 0.11 0.00 0.77 0.00 0.00 58.65 59.91 1nya h GLN 34 Cb 0.60 0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.34 1nya h GLN 34 CO -0.65 -0.10 0.36 0.45 -1.93 0.00 0.00 178.83 176.96 1nya h HIS 35 N -0.41 0.00 0.00 3.99 3.86 0.25 -2.29 115.15 120.56 1nya h HIS 35 Ca -0.03 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.14 1nya h HIS 35 Cb 0.31 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.77 1nya h HIS 35 CO -0.03 0.00 -0.26 0.82 0.86 0.00 0.00 177.93 179.33 1nya h ILE 36 N 0.00 1.05 -0.95 2.45 1.08 -0.14 -3.31 117.51 117.68 1nya h ILE 36 Ca 0.18 -1.87 0.29 0.00 -0.39 0.00 0.00 64.86 63.07 1nya h ILE 36 Cb 0.89 2.06 -0.16 0.00 -3.07 0.00 0.00 36.82 36.54 1nya h ILE 36 CO -0.00 0.35 0.32 0.00 -0.69 0.00 0.00 178.15 178.13 1nya h ALA 37 N -0.42 1.56 -0.87 1.87 0.00 -0.39 0.68 119.26 121.69 1nya h ALA 37 Ca -0.06 0.25 0.01 0.00 0.00 0.00 0.00 54.91 55.11 1nya h ALA 37 Cb 0.76 0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 1nya h ALA 37 CO -0.04 -0.60 0.57 0.93 0.00 0.00 0.00 179.25 180.11 1nya h GLU 38 N 0.15 1.16 -0.16 0.00 4.39 -1.61 -1.95 114.58 116.55 1nya h GLU 38 Ca 0.65 -0.07 0.05 0.00 0.34 0.00 0.00 59.36 60.33 1nya h GLU 38 Cb 1.46 -0.26 -0.01 0.00 -0.10 0.00 0.00 28.75 29.85 1nya h GLU 38 CO -0.72 0.77 0.17 0.00 -1.16 0.00 0.00 179.01 178.07 1nya h ALA 39 N 1.44 1.83 -0.25 3.43 0.00 0.30 0.24 119.26 126.26 1nya h ALA 39 Ca 0.32 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1nya h ALA 39 Cb -0.13 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1nya h ALA 39 CO -0.07 -0.25 0.00 1.19 0.00 0.00 0.00 179.25 180.12 1nya n PHE 40 N -3.91 0.33 -3.41 0.00 3.72 -0.74 -4.94 117.46 108.52 1nya n PHE 40 Ca 0.01 -0.16 -0.12 0.00 -0.05 0.00 0.00 57.45 57.13 1nya n PHE 40 Cb 0.29 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.83 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 1.13 -1.27 0.00 1.37 0.00 0.86 -5.00 105.19 102.28 1nya n GLY 41 Ca 0.15 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.70 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 -2.20 0.00 0.00 1.61 5.02 -1.26 -5.09 118.16 116.25 1nya n LYS 42 Ca -0.15 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.14 1nya n LYS 42 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.60 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 0.00 -0.76 0.15 4.39 8.00 -1.26 -4.88 116.55 122.20 1nya n ASP 43 Ca 0.00 -0.30 0.00 0.00 0.71 0.00 0.00 54.79 55.20 1nya n ASP 43 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1nya n ASP 43 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1nya n ALA 44 N -3.00 2.95 -0.35 2.24 0.00 -1.26 -4.57 120.51 116.53 1nya n ALA 44 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1nya n ALA 44 Cb 0.00 0.00 0.23 0.00 0.00 0.00 0.00 19.45 19.68 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 2.85 0.00 0.00 0.00 -1.26 -4.48 105.19 103.76 1nya n GLY 45 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.36 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 0.12 0.00 -0.10 4.61 0.00 -1.26 -4.84 120.51 119.05 1nya n ALA 46 Ca 0.25 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.50 1nya n ALA 46 Cb 1.01 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 20.36 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 0.21 -0.98 0.00 0.00 -1.98 -3.09 119.26 111.42 1nya h ALA 47 Ca 0.00 -1.07 0.17 0.00 0.00 0.00 0.00 54.91 54.02 1nya h ALA 47 Cb 0.00 0.66 -0.10 0.00 0.00 0.00 0.00 17.79 18.35 1nya h ALA 47 CO 0.00 0.63 0.58 0.93 0.00 0.00 0.00 179.25 181.39 1nya h GLU 48 N -1.00 0.74 0.03 0.00 5.08 -1.96 0.55 114.58 118.02 1nya h GLU 48 Ca -0.28 -0.04 -0.24 0.00 -1.00 0.00 0.00 59.36 57.79 1nya h GLU 48 Cb 1.17 -0.17 0.02 0.00 0.50 0.00 0.00 28.75 30.27 1nya h GLU 48 CO -0.17 0.49 -0.96 0.28 -1.00 0.00 0.00 179.01 177.66 1nya h VAL 49 N 0.77 1.33 -0.89 3.13 2.07 -1.84 -2.74 116.25 118.07 1nya h VAL 49 Ca 0.55 -2.25 -0.00 0.00 0.82 0.00 0.00 66.70 65.82 1nya h VAL 49 Cb 0.80 2.53 -0.04 0.00 -1.52 0.00 0.00 31.29 33.06 1nya h VAL 49 CO -0.37 0.68 0.55 -0.61 0.02 0.00 0.00 177.57 177.84 1nya h GLN 50 N 0.21 1.21 0.64 1.57 4.15 -1.18 -1.48 115.11 120.22 1nya h GLN 50 Ca -0.13 -0.10 -0.02 0.00 0.77 0.00 0.00 58.65 59.16 1nya h GLN 50 Cb 1.64 -0.26 -0.01 0.00 0.21 0.00 0.00 27.48 29.06 1nya h GLN 50 CO 0.19 0.84 -0.45 1.15 -1.93 0.00 0.00 178.83 178.63 1nya h THR 51 N 1.23 0.10 -0.02 2.39 2.02 0.04 0.21 112.91 118.87 1nya h THR 51 Ca 0.32 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.53 1nya h THR 51 Cb -0.06 0.10 -0.06 0.00 -1.74 0.00 0.00 68.15 66.39 1nya h THR 51 CO -0.06 0.00 -0.49 0.25 0.37 0.00 0.00 175.52 175.59 1nya h LEU 52 N -1.04 -1.50 -1.09 2.58 5.85 -1.25 0.78 115.31 119.63 1nya h LEU 52 Ca -0.08 0.18 0.20 0.00 0.84 0.00 0.00 57.88 59.02 1nya h LEU 52 Cb 0.86 0.58 -0.10 0.00 0.37 0.00 0.00 40.66 42.37 1nya h LEU 52 CO 0.04 -0.49 0.61 0.50 -0.34 0.00 0.00 178.44 178.76 1nya h LYS 53 N -0.62 0.66 -0.65 1.25 3.64 -1.19 0.25 116.57 119.90 1nya h LYS 53 Ca 0.03 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.40 1nya h LYS 53 Cb 0.69 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 32.33 1nya h LYS 53 CO -0.36 0.43 0.41 -0.97 -2.27 0.00 0.00 179.45 176.70 1nya h ASN 54 N 0.68 0.68 -0.00 4.20 -0.73 0.16 -1.86 115.58 118.71 1nya h ASN 54 Ca 0.58 -0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.74 1nya h ASN 54 Cb 1.02 -0.15 -0.00 0.00 0.27 0.00 0.00 38.32 39.46 1nya h ASN 54 CO -0.36 0.48 -0.00 0.00 -0.37 0.00 0.00 177.43 177.18 1nya h ALA 55 N 1.27 0.00 -0.90 1.57 0.00 0.12 -3.00 119.26 118.32 1nya h ALA 55 Ca 0.26 -0.21 0.25 0.00 0.00 0.00 0.00 54.91 55.21 1nya h ALA 55 Cb -0.01 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1nya h ALA 55 CO -0.09 -0.28 0.63 0.74 0.00 0.00 0.00 179.25 180.25 1nya h PHE 56 N -0.41 0.10 0.10 0.00 0.04 -0.71 -1.25 116.94 114.81 1nya h PHE 56 Ca 0.00 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 1nya h PHE 56 Cb 0.42 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.55 1nya h PHE 56 CO 0.07 0.02 -0.05 0.78 -0.60 0.00 0.00 178.31 178.53 1nya h GLY 57 N 0.07 -0.14 2.00 -1.45 0.00 -1.19 -2.77 103.07 99.58 1nya h GLY 57 Ca 0.43 0.05 -0.01 0.00 0.00 0.00 0.00 47.33 47.81 1nya h GLY 57 CO -0.04 -0.05 -0.05 -1.33 0.00 0.00 0.00 176.54 175.07 1nya h GLY 58 N -0.27 0.00 0.61 4.60 0.00 -1.27 -2.29 103.07 104.46 1nya h GLY 58 Ca -0.01 0.00 0.08 0.00 0.00 0.00 0.00 47.33 47.40 1nya h GLY 58 CO 0.02 0.00 0.52 -2.00 0.00 0.00 0.00 176.54 175.09 1nya h LEU 59 N 0.00 0.79 -0.91 3.11 6.46 -1.23 -1.13 115.31 122.39 1nya h LEU 59 Ca -0.00 0.03 0.01 0.00 -0.12 0.00 0.00 57.88 57.80 1nya h LEU 59 Cb 0.09 -0.13 -0.04 0.00 -0.73 0.00 0.00 40.66 39.85 1nya h LEU 59 CO 0.01 0.47 0.59 0.15 -0.62 0.00 0.00 178.44 179.04 1nya h PHE 60 N 0.91 1.16 -0.74 1.25 3.57 -1.42 -2.76 116.94 118.90 1nya h PHE 60 Ca 0.40 0.02 0.15 0.00 3.53 0.00 0.00 57.97 62.07 1nya h PHE 60 Cb 0.29 -0.39 -0.14 0.00 2.79 0.00 0.00 35.95 38.50 1nya h PHE 60 CO -0.04 0.74 -0.16 -0.44 -2.23 0.00 0.00 178.31 176.18 1nya h ASP 61 N 1.24 -0.65 -0.95 0.41 5.19 -1.25 0.32 116.42 120.73 1nya h ASP 61 Ca 0.33 0.22 0.07 0.00 -0.62 0.00 0.00 57.03 57.03 1nya h ASP 61 Cb -0.12 0.45 -0.06 0.00 0.18 0.00 0.00 39.33 39.77 1nya h ASP 61 CO -0.07 -0.24 0.62 0.22 -3.12 0.00 0.00 179.24 176.65 1nya h TYR 62 N 0.01 1.12 0.34 4.55 3.20 -1.49 -0.18 116.97 124.53 1nya h TYR 62 Ca 0.36 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.25 1nya h TYR 62 Cb 0.57 -0.37 0.00 0.00 1.54 0.00 0.00 36.73 38.48 1nya h TYR 62 CO -0.57 0.58 -0.16 -0.07 -1.64 0.00 0.00 178.16 176.29 1nya h LEU 63 N 1.09 -0.39 -0.84 2.82 3.38 -0.46 0.27 115.31 121.19 1nya h LEU 63 Ca 0.41 -0.12 0.08 0.00 0.09 0.00 0.00 57.88 58.35 1nya h LEU 63 Cb 0.20 0.10 -0.07 0.00 0.09 0.00 0.00 40.66 40.98 1nya h LEU 63 CO -0.16 -0.09 0.50 0.00 0.09 0.00 0.00 178.44 178.78 1nya h ALA 64 N -0.13 1.19 0.44 1.53 0.00 -0.84 0.77 119.26 122.21 1nya h ALA 64 Ca -0.05 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1nya h ALA 64 Cb 0.48 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1nya h ALA 64 CO 0.08 0.18 -0.21 0.87 0.00 0.00 0.00 179.25 180.16 1nya h LYS 65 N 0.87 -0.57 -0.77 0.00 6.56 -0.95 0.69 116.57 122.41 1nya h LYS 65 Ca 0.39 0.04 0.00 0.00 -1.06 0.00 0.00 60.65 60.02 1nya h LYS 65 Cb 0.29 0.13 -0.04 0.00 -0.57 0.00 0.00 32.23 32.04 1nya h LYS 65 CO -0.22 -0.27 0.48 1.49 -2.06 0.00 0.00 179.45 178.88 1nya h GLU 66 N -0.98 1.03 0.00 3.15 4.81 -0.28 -2.22 114.58 120.10 1nya h GLU 66 Ca -0.06 -0.08 -0.10 0.00 -0.13 0.00 0.00 59.36 58.99 1nya h GLU 66 Cb 0.57 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 1nya h GLU 66 CO 0.10 0.71 -0.48 0.00 -0.73 0.00 0.00 179.01 178.61 1nya h ALA 67 N 1.26 0.81 -2.45 2.92 0.00 0.51 -3.48 119.26 118.82 1nya h ALA 67 Ca 0.28 -0.44 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 1nya h ALA 67 Cb -0.07 -0.08 0.03 0.00 0.00 0.00 0.00 17.79 17.68 1nya h ALA 67 CO -0.06 0.60 -0.15 0.41 0.00 0.00 0.00 179.25 180.05 1nya n GLY 68 N 0.74 0.43 0.11 0.00 0.00 0.22 -5.02 105.19 101.66 1nya n GLY 68 Ca 0.01 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1nya n GLY 68 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1nya n VAL 69 N -2.23 0.00 0.00 1.61 0.31 0.07 -5.02 118.33 113.07 1nya n VAL 69 Ca -0.03 0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 1nya n VAL 69 Cb 0.53 -0.67 0.00 0.00 -0.91 0.00 0.00 33.84 32.79 1nya n VAL 69 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1nya n GLY 70 N 3.62 2.40 0.31 2.92 0.00 -1.26 -4.85 105.19 108.34 1nya n GLY 70 Ca 0.00 -0.74 0.19 0.00 0.00 0.00 0.00 46.02 45.47 1nya n GLY 70 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1nya h SER 71 N 0.00 0.00 -0.20 1.61 0.87 -1.94 -1.33 113.55 112.55 1nya h SER 71 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1nya h SER 71 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1nya h SER 71 CO 0.00 0.02 0.00 0.47 -0.53 0.00 0.00 176.83 176.79 1nya n ASP 72 N -3.34 2.72 -1.63 6.23 8.00 -1.26 -4.63 116.55 122.65 1nya n ASP 72 Ca -0.02 -2.22 0.00 0.00 0.71 0.00 0.00 54.79 53.26 1nya n ASP 72 Cb 0.12 -0.22 0.00 0.00 -0.02 0.00 0.00 41.12 41.00 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 -0.08 0.86 3.06 0.44 0.00 -0.50 -5.02 105.19 103.94 1nya n GLY 73 Ca 0.10 -1.93 -0.09 0.00 0.00 0.00 0.00 46.02 44.10 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 0.28 -0.05 1.61 1.04 -1.26 -4.59 113.70 109.73 1nya s SER 74 Ca 0.00 -0.63 0.03 0.00 0.48 0.00 0.00 55.95 55.84 1nya s SER 74 Cb 0.00 0.17 -0.03 0.00 0.10 0.00 0.00 66.02 66.26 1nya s SER 74 CO 0.00 -0.45 -0.13 -0.76 0.98 0.00 0.00 173.24 172.88 1nya s LEU 75 N -2.05 2.79 0.81 2.42 1.43 -1.14 -4.86 118.68 118.08 1nya s LEU 75 Ca -0.06 -0.18 -0.07 0.00 -1.03 0.00 0.00 54.13 52.79 1nya s LEU 75 Cb -0.02 -1.57 0.15 0.00 0.03 0.00 0.00 46.19 44.78 1nya s LEU 75 CO -0.04 0.35 1.12 0.42 0.23 0.00 0.00 176.35 178.43 1nya s THR 76 N -0.75 2.08 0.02 5.49 -4.23 -1.26 -1.92 115.64 115.08 1nya s THR 76 Ca 0.12 -0.36 -0.25 0.00 -1.18 0.00 0.00 61.69 60.02 1nya s THR 76 Cb -0.11 -2.73 -0.18 0.00 1.34 0.00 0.00 72.50 70.83 1nya s THR 76 CO 0.01 0.00 1.44 -0.08 -0.54 0.00 0.00 174.62 175.45 1nya h GLU 77 N -0.96 -0.08 -0.14 3.99 4.81 -2.00 -0.89 114.58 119.31 1nya h GLU 77 Ca -0.40 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 58.88 1nya h GLU 77 Cb 1.26 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.65 1nya h GLU 77 CO 0.40 0.21 0.10 1.49 -0.73 0.00 0.00 179.01 180.48 1nya h GLU 78 N -0.36 0.00 -0.12 1.92 4.22 -2.00 -1.51 114.58 116.73 1nya h GLU 78 Ca -0.01 0.00 -0.13 0.00 0.08 0.00 0.00 59.36 59.30 1nya h GLU 78 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1nya h GLU 78 CO 0.01 0.00 -0.43 1.96 -2.18 0.00 0.00 179.01 178.37 1nya h GLN 79 N 0.00 0.51 0.05 1.92 7.50 -1.85 -2.90 115.11 120.34 1nya h GLN 79 Ca 0.07 -0.38 0.03 0.00 0.50 0.00 0.00 58.65 58.86 1nya h GLN 79 Cb 0.28 0.07 -0.05 0.00 0.05 0.00 0.00 27.48 27.83 1nya h GLN 79 CO -0.00 1.01 -0.38 0.35 -1.50 0.00 0.00 178.83 178.31 1nya h PHE 80 N 0.11 -1.05 -0.18 2.96 3.57 -0.12 0.12 116.94 122.34 1nya h PHE 80 Ca -0.02 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.56 1nya h PHE 80 Cb 1.06 0.45 -0.05 0.00 2.79 0.00 0.00 35.95 40.20 1nya h PHE 80 CO 0.11 -0.47 -0.15 0.82 -2.23 0.00 0.00 178.31 176.39 1nya h ILE 81 N -0.56 0.59 -0.06 1.41 2.04 -1.55 1.35 117.51 120.73 1nya h ILE 81 Ca 0.04 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.93 1nya h ILE 81 Cb 0.62 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 37.26 1nya h ILE 81 CO -0.26 0.00 -0.11 -0.09 0.00 0.00 0.00 178.15 177.69 1nya h ARG 82 N -0.16 -0.15 -0.23 2.37 2.43 -1.27 0.15 114.38 117.53 1nya h ARG 82 Ca 0.11 0.01 -0.20 0.00 -0.81 0.00 0.00 59.98 59.09 1nya h ARG 82 Cb 0.32 0.03 0.01 0.00 -0.42 0.00 0.00 29.97 29.91 1nya h ARG 82 CO -0.28 -0.10 -0.66 -0.39 -1.51 0.00 0.00 179.97 177.04 1nya h VAL 83 N -0.15 1.27 -0.52 0.20 -1.51 -0.69 -3.19 116.25 111.65 1nya h VAL 83 Ca 0.06 -1.84 -0.01 0.00 -1.23 0.00 0.00 66.70 63.68 1nya h VAL 83 Cb 0.24 1.79 -0.03 0.00 -2.13 0.00 0.00 31.29 31.16 1nya h VAL 83 CO -0.15 0.59 0.30 0.71 -1.23 0.00 0.00 177.57 177.80 1nya h THR 84 N 0.62 1.17 -0.42 7.19 1.35 0.20 -2.28 112.91 120.73 1nya h THR 84 Ca -0.02 -0.39 0.09 0.00 -0.55 0.00 0.00 66.41 65.54 1nya h THR 84 Cb 1.28 0.48 -0.09 0.00 -1.73 0.00 0.00 68.15 68.09 1nya h THR 84 CO 0.14 0.17 -0.21 -0.33 -0.25 0.00 0.00 175.52 175.05 1nya h GLU 85 N 0.70 -0.12 -0.83 4.72 5.08 -0.72 -0.03 114.58 123.38 1nya h GLU 85 Ca 0.19 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.56 1nya h GLU 85 Cb 0.01 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.25 1nya h GLU 85 CO -0.03 -0.08 0.55 -0.91 -1.00 0.00 0.00 179.01 177.53 1nya h ASN 86 N -0.13 0.96 -0.48 1.42 -0.26 -1.49 0.71 115.58 116.31 1nya h ASN 86 Ca 0.20 -0.03 0.02 0.00 -0.56 0.00 0.00 56.30 55.94 1nya h ASN 86 Cb 0.44 -0.24 -0.03 0.00 -1.06 0.00 0.00 38.32 37.43 1nya h ASN 86 CO -0.50 0.70 0.28 -0.07 -1.06 0.00 0.00 177.43 176.78 1nya h LEU 87 N 1.13 0.45 -0.10 1.61 3.38 -0.46 1.19 115.31 122.51 1nya h LEU 87 Ca 0.30 0.01 -0.14 0.00 0.09 0.00 0.00 57.88 58.14 1nya h LEU 87 Cb -0.12 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 40.55 1nya h LEU 87 CO -0.06 0.32 -0.48 0.40 0.09 0.00 0.00 178.44 178.70 1nya h ILE 88 N 0.56 1.37 0.00 1.22 1.08 -0.84 -3.42 117.51 117.48 1nya h ILE 88 Ca 0.19 -1.81 0.00 0.00 -0.39 0.00 0.00 64.86 62.85 1nya h ILE 88 Cb 0.03 2.20 0.00 0.00 -3.07 0.00 0.00 36.82 35.98 1nya h ILE 88 CO -0.09 0.54 0.00 0.49 -0.69 0.00 0.00 178.15 178.40 1nya n PHE 89 N -4.25 0.00 0.00 1.37 3.72 0.20 -5.00 117.46 113.50 1nya n PHE 89 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 1nya n PHE 89 Cb 0.59 -0.04 0.00 0.00 -0.94 0.00 0.00 39.48 39.09 1nya n PHE 89 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 1nya n GLU 90 N -1.22 0.69 -1.08 -1.08 4.07 0.41 -4.91 120.64 117.51 1nya n GLU 90 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1nya n GLU 90 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 1nya n GLU 90 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 1nya n GLN 91 N -0.37 -2.91 -2.29 5.31 3.00 -1.21 -4.51 117.38 114.40 1nya n GLN 91 Ca 0.00 2.23 -0.32 0.00 -0.01 0.00 0.00 57.00 58.91 1nya n GLN 91 Cb 0.00 -2.72 -0.03 0.00 0.00 0.00 0.00 30.24 27.49 1nya n GLN 91 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 1nya s GLY 92 N -4.25 1.99 0.14 1.08 0.00 -1.26 -4.94 107.32 100.08 1nya s GLY 92 Ca 0.00 0.13 -0.24 0.00 0.00 0.00 0.00 44.72 44.61 1nya s GLY 92 CO 0.00 0.41 1.63 -2.09 0.00 0.00 0.00 173.10 173.05 1nya h GLU 93 N 0.67 -0.32 0.00 2.90 4.81 -1.97 0.24 114.58 120.92 1nya h GLU 93 Ca -0.46 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 1nya h GLU 93 Cb 1.19 0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.64 1nya h GLU 93 CO 0.62 -0.21 0.00 0.00 -0.73 0.00 0.00 179.01 178.68 1nya n ALA 94 N -2.75 1.21 -0.01 2.92 0.00 -1.26 -2.35 120.51 118.27 1nya n ALA 94 Ca -0.03 0.03 -0.17 0.00 0.00 0.00 0.00 53.44 53.27 1nya n ALA 94 Cb 0.29 -1.14 -0.10 0.00 0.00 0.00 0.00 19.45 18.51 1nya n ALA 94 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1nya h SER 95 N 0.00 0.57 -0.38 0.00 0.02 -0.88 -1.17 113.55 111.71 1nya h SER 95 Ca 0.00 -0.71 -0.11 0.00 -0.84 0.00 0.00 61.79 60.13 1nya h SER 95 Cb 0.09 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 1nya h SER 95 CO 0.00 1.19 -0.19 0.15 -1.14 0.00 0.00 176.83 176.84 1nya h PHE 96 N -0.01 0.92 -0.23 3.45 3.04 -1.36 -2.75 116.94 120.00 1nya h PHE 96 Ca -0.06 -0.23 -0.09 0.00 3.98 0.00 0.00 57.97 61.57 1nya h PHE 96 Cb 1.24 -0.21 -0.01 0.00 2.56 0.00 0.00 35.95 39.52 1nya h PHE 96 CO 0.13 0.98 -0.26 -0.97 -2.02 0.00 0.00 178.31 176.17 1nya h ASN 97 N 0.60 0.44 0.71 0.41 -1.24 -1.62 0.30 115.58 115.18 1nya h ASN 97 Ca 0.08 -0.15 -0.04 0.00 0.71 0.00 0.00 56.30 56.91 1nya h ASN 97 Cb 0.74 -0.12 0.01 0.00 0.73 0.00 0.00 38.32 39.68 1nya h ASN 97 CO 0.06 0.69 -0.34 0.03 -1.29 0.00 0.00 177.43 176.58 1nya h ARG 98 N 0.39 -0.93 0.03 6.67 2.47 -1.06 0.37 114.38 122.32 1nya h ARG 98 Ca 0.06 0.06 -0.24 0.00 -1.26 0.00 0.00 59.98 58.60 1nya h ARG 98 Cb 0.66 0.21 0.01 0.00 -1.65 0.00 0.00 29.97 29.20 1nya h ARG 98 CO 0.05 -0.62 -1.02 0.28 0.56 0.00 0.00 179.97 179.22 1nya h VAL 99 N -1.12 1.40 0.00 2.04 2.07 -1.56 -3.33 116.25 115.75 1nya h VAL 99 Ca -0.10 -2.55 -0.21 0.00 0.82 0.00 0.00 66.70 64.67 1nya h VAL 99 Cb 0.74 2.53 -0.04 0.00 -1.52 0.00 0.00 31.29 33.00 1nya h VAL 99 CO 0.16 0.76 -1.38 0.25 0.02 0.00 0.00 177.57 177.38 1nya h LEU 100 N 0.21 0.00 -0.69 2.57 7.12 -1.05 -3.38 115.31 120.09 1nya h LEU 100 Ca -0.10 0.00 0.09 0.00 0.13 0.00 0.00 57.88 58.00 1nya h LEU 100 Cb 1.68 0.00 -0.11 0.00 -0.53 0.00 0.00 40.66 41.70 1nya h LEU 100 CO 0.18 0.76 -0.49 1.23 -0.13 0.00 0.00 178.44 179.98 1nya h GLY 101 N 3.54 -0.62 2.00 3.75 0.00 -0.27 0.53 103.07 112.01 1nya h GLY 101 Ca -0.17 0.65 0.00 0.00 0.00 0.00 0.00 47.33 47.81 1nya h GLY 101 CO 0.07 -0.11 0.00 -0.56 0.00 0.00 0.00 176.54 175.94 1nya h PRO 102 N -0.19 0.00 0.00 4.80 0.13 -1.75 0.17 132.00 135.16 1nya h PRO 102 Ca 0.17 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.28 1nya h PRO 102 Cb 0.54 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.67 1nya h PRO 102 CO -0.76 0.00 -0.12 0.28 -0.23 0.00 0.00 178.00 177.17 1nya h VAL 103 N 0.00 1.43 -0.27 1.56 2.07 -0.25 -3.06 116.25 117.73 1nya h VAL 103 Ca 0.00 -2.11 -0.14 0.00 0.82 0.00 0.00 66.70 65.27 1nya h VAL 103 Cb 0.21 2.74 -0.01 0.00 -1.52 0.00 0.00 31.29 32.70 1nya h VAL 103 CO 0.00 0.48 -0.40 0.58 0.02 0.00 0.00 177.57 178.25 1nya h VAL 104 N -1.00 1.29 0.38 2.57 2.07 -0.62 -3.24 116.25 117.70 1nya h VAL 104 Ca -0.03 -1.57 -0.00 0.00 0.82 0.00 0.00 66.70 65.91 1nya h VAL 104 Cb 0.87 1.52 -0.03 0.00 -1.52 0.00 0.00 31.29 32.14 1nya h VAL 104 CO -0.02 0.50 -0.43 0.11 0.02 0.00 0.00 177.57 177.76 1nya h LYS 105 N 0.53 -0.81 -1.52 1.57 1.57 -0.80 -1.61 116.57 115.50 1nya h LYS 105 Ca 0.04 0.05 0.46 0.00 -1.87 0.00 0.00 60.65 59.34 1nya h LYS 105 Cb 0.92 0.18 -0.09 0.00 0.08 0.00 0.00 32.23 33.32 1nya h LYS 105 CO 0.08 -0.54 1.05 0.78 -0.57 0.00 0.00 179.45 180.26 1nya h GLY 106 N -0.84 0.58 1.28 3.86 0.00 -1.55 0.99 103.07 107.38 1nya h GLY 106 Ca -0.03 -0.06 -0.24 0.00 0.00 0.00 0.00 47.33 47.01 1nya h GLY 106 CO -0.09 -0.17 -0.89 -2.22 0.00 0.00 0.00 176.54 173.18 1nya h ILE 107 N 0.05 1.30 -0.44 2.60 2.04 -1.39 -3.19 117.51 118.49 1nya h ILE 107 Ca 0.80 -2.14 -0.05 0.00 1.00 0.00 0.00 64.86 64.48 1nya h ILE 107 Cb 2.90 2.18 -0.02 0.00 -0.74 0.00 0.00 36.82 41.14 1nya h ILE 107 CO -0.19 0.66 0.08 0.58 0.00 0.00 0.00 178.15 179.28 1nya h VAL 108 N 0.43 1.21 -0.79 1.67 2.07 0.14 -1.06 116.25 119.91 1nya h VAL 108 Ca -0.08 -0.78 0.03 0.00 0.82 0.00 0.00 66.70 66.70 1nya h VAL 108 Cb 1.52 0.79 -0.05 0.00 -1.52 0.00 0.00 31.29 32.03 1nya h VAL 108 CO 0.17 0.28 0.50 1.23 0.02 0.00 0.00 177.57 179.78 1nya h GLY 109 N 0.89 1.16 2.00 2.17 0.00 -1.27 -1.59 103.07 106.43 1nya h GLY 109 Ca 0.14 -0.38 -0.07 0.00 0.00 0.00 0.00 47.33 47.02 1nya h GLY 109 CO 0.00 0.32 -0.33 -0.33 0.00 0.00 0.00 176.54 176.21 1nya h MET 110 N 0.98 0.00 -1.56 4.80 2.86 -1.51 -3.30 114.93 117.21 1nya h MET 110 Ca 0.32 0.00 -0.54 0.00 -2.06 0.00 0.00 59.70 57.42 1nya h MET 110 Cb 0.03 0.00 -0.21 0.00 0.06 0.00 0.00 31.60 31.47 1nya h MET 110 CO -0.12 0.33 0.66 0.00 1.06 0.00 0.00 176.91 178.83 1nya s ASP 112 N -0.58 -0.96 0.00 0.00 2.15 -1.17 -4.90 116.67 111.21 1nya s ASP 112 Ca 0.51 0.53 0.21 0.00 0.43 0.00 0.00 52.55 54.23 1nya s ASP 112 Cb 0.39 1.77 0.60 0.00 -0.30 0.00 0.00 42.92 45.38 1nya s ASP 112 CO -0.13 -0.18 1.47 0.29 -0.17 0.00 0.00 175.17 176.46 1nya n LYS 113 N 5.43 2.05 -0.01 4.34 4.01 -1.26 -3.90 118.16 128.82 1nya n LYS 113 Ca -0.02 -1.58 0.07 0.00 -0.51 0.00 0.00 58.31 56.26 1nya n LYS 113 Cb 0.53 -1.44 -0.10 0.00 -0.51 0.00 0.00 35.03 33.51 1nya n LYS 113 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 1nya n ASN 114 N 0.81 1.94 -2.73 4.39 0.23 -1.26 -5.05 115.26 113.58 1nya n ASN 114 Ca 0.17 -0.03 -0.09 0.00 -0.53 0.00 0.00 54.58 54.10 1nya n ASN 114 Cb 0.44 1.58 0.04 0.00 -2.08 0.00 0.00 39.78 39.76 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 -1.93 -1.97 0.14 -2.53 0.00 -1.25 -4.98 120.51 107.99 1nya n ALA 115 Ca -0.02 0.09 0.02 0.00 0.00 0.00 0.00 53.44 53.53 1nya n ALA 115 Cb 0.34 -3.85 -0.03 0.00 0.00 0.00 0.00 19.45 15.91 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 -2.57 1.67 0.00 0.00 5.68 -1.26 -5.01 116.55 115.06 1nya n ASP 116 Ca -0.04 -0.37 0.00 0.00 -0.50 0.00 0.00 54.79 53.88 1nya n ASP 116 Cb 0.57 1.09 0.00 0.00 -1.14 0.00 0.00 41.12 41.65 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 1.55 0.58 3.43 6.12 0.00 -1.26 -5.03 105.19 110.59 1nya n GLY 117 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 1nya n GLY 117 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nya s GLN 118 N -0.06 1.56 -0.41 1.61 -0.21 -1.26 -4.51 119.66 116.38 1nya s GLN 118 Ca 0.00 -1.78 -0.05 0.00 0.02 0.00 0.00 55.36 53.55 1nya s GLN 118 Cb 0.00 -1.21 0.10 0.00 1.00 0.00 0.00 33.01 32.90 1nya s GLN 118 CO 0.00 0.07 0.21 0.42 -2.12 0.00 0.00 175.29 173.87 1nya s ILE 119 N -2.96 3.61 0.49 1.08 -1.09 0.81 -4.91 121.20 118.22 1nya s ILE 119 Ca 0.29 -1.78 -0.09 0.00 -2.23 0.00 0.00 60.65 56.85 1nya s ILE 119 Cb 0.03 -3.34 -0.05 0.00 -1.58 0.00 0.00 42.46 37.52 1nya s ILE 119 CO 0.12 -0.59 0.84 0.20 -1.23 0.00 0.00 174.94 174.28 1nya s ASN 120 N 1.95 6.35 0.36 3.58 -0.87 -1.26 -1.59 114.94 123.46 1nya s ASN 120 Ca 0.05 1.12 0.16 0.00 -1.57 0.00 0.00 52.86 52.62 1nya s ASN 120 Cb -0.23 -2.33 1.05 0.00 -0.02 0.00 0.00 41.25 39.72 1nya s ASN 120 CO -0.02 -0.59 1.72 0.00 -2.57 0.00 0.00 177.10 175.65 1nya h ALA 121 N 0.45 2.07 0.00 0.60 0.00 -1.99 1.40 119.26 121.79 1nya h ALA 121 Ca -0.46 0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.49 1nya h ALA 121 Cb 1.20 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1nya h ALA 121 CO 0.62 -0.56 -0.31 0.22 0.00 0.00 0.00 179.25 179.23 1nya h ASP 122 N 0.42 0.00 0.09 0.00 1.82 -1.98 -1.70 116.42 115.07 1nya h ASP 122 Ca 0.66 0.00 -0.15 0.00 -0.39 0.00 0.00 57.03 57.15 1nya h ASP 122 Cb 1.54 0.00 0.01 0.00 0.68 0.00 0.00 39.33 41.55 1nya h ASP 122 CO -0.43 0.31 -0.69 -0.33 -1.61 0.00 0.00 179.24 176.49 1nya h GLU 123 N 0.00 0.19 -0.20 0.28 5.08 0.13 -3.16 114.58 116.90 1nya h GLU 123 Ca -0.00 -0.32 0.03 0.00 -1.00 0.00 0.00 59.36 58.06 1nya h GLU 123 Cb 0.71 0.12 -0.03 0.00 0.50 0.00 0.00 28.75 30.05 1nya h GLU 123 CO 0.04 1.16 0.01 0.35 -1.00 0.00 0.00 179.01 179.57 1nya h PHE 124 N -0.58 0.02 -0.53 4.33 3.57 -0.34 -2.58 116.94 120.83 1nya h PHE 124 Ca -0.14 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.45 1nya h PHE 124 Cb 1.46 0.02 -0.06 0.00 2.79 0.00 0.00 35.95 40.16 1nya h PHE 124 CO 0.21 -0.01 0.21 0.00 -2.23 0.00 0.00 178.31 176.48 1nya h ALA 125 N 1.16 0.66 -0.68 2.41 0.00 -1.45 -0.85 119.26 120.51 1nya h ALA 125 Ca 0.09 0.06 0.15 0.00 0.00 0.00 0.00 54.91 55.21 1nya h ALA 125 Cb 0.11 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1nya h ALA 125 CO -0.14 -0.18 0.46 0.00 0.00 0.00 0.00 179.25 179.39 1nya h ALA 126 N 1.34 2.24 0.14 0.00 0.00 -1.43 -1.04 119.26 120.52 1nya h ALA 126 Ca 0.25 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.91 1nya h ALA 126 Cb 0.26 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.03 1nya h ALA 126 CO -0.24 -0.43 -1.17 2.35 0.00 0.00 0.00 179.25 179.77 1nya h TRP 127 N 0.28 0.54 -0.93 0.00 7.01 -1.01 -2.97 115.95 118.86 1nya h TRP 127 Ca 0.33 -0.39 0.00 0.00 2.11 0.00 0.00 58.89 60.94 1nya h TRP 127 Cb 0.90 -0.02 -0.05 0.00 -2.10 0.00 0.00 29.16 27.89 1nya h TRP 127 CO -0.00 1.45 0.60 -0.07 -2.79 0.00 0.00 178.44 177.63 1nya h LEU 128 N -0.29 1.09 -0.86 0.65 4.07 -0.72 -1.06 115.31 118.19 1nya h LEU 128 Ca -0.23 -0.05 -0.09 0.00 0.08 0.00 0.00 57.88 57.59 1nya h LEU 128 Cb 1.75 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 43.20 1nya h LEU 128 CO 0.12 0.81 -0.44 0.74 -1.08 0.00 0.00 178.44 178.59 1nya h THR 129 N 1.27 1.03 -0.52 0.22 2.02 -1.31 0.33 112.91 115.95 1nya h THR 129 Ca 0.34 -1.70 -0.08 0.00 0.77 0.00 0.00 66.41 65.74 1nya h THR 129 Cb -0.11 2.00 -0.02 0.00 -1.74 0.00 0.00 68.15 68.28 1nya h THR 129 CO -0.07 0.43 0.00 0.00 0.37 0.00 0.00 175.52 176.26 1nya h ALA 130 N 1.56 1.02 -0.00 6.16 0.00 -1.05 -2.70 119.26 124.24 1nya h ALA 130 Ca -0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1nya h ALA 130 Cb 0.97 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1nya h ALA 130 CO 0.06 0.61 -0.17 1.28 0.00 0.00 0.00 179.25 181.02 1nya n LEU 131 N -4.20 0.48 0.00 0.00 4.77 -0.77 -4.90 117.00 112.39 1nya n LEU 131 Ca 0.03 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 1nya n LEU 131 Cb 0.32 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1nya n LEU 131 CO 0.42 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 1nya n GLY 132 N 1.35 1.88 3.87 -0.72 0.00 -1.02 -4.74 105.19 105.80 1nya n GLY 132 Ca 0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.27 3.18 0.70 1.61 -1.94 0.11 -4.97 119.30 117.72 1nya s MET 133 Ca 0.00 -0.66 -0.11 0.00 -1.71 0.00 0.00 55.69 53.20 1nya s MET 133 Cb 0.00 -2.84 0.01 0.00 2.01 0.00 0.00 34.83 34.01 1nya s MET 133 CO 0.00 0.54 1.09 0.45 -0.01 0.00 0.00 175.02 177.09 1nya s SER 134 N -2.90 5.49 0.48 3.03 0.15 -1.26 -3.85 113.70 114.84 1nya s SER 134 Ca 0.33 1.14 0.23 0.00 0.70 0.00 0.00 55.95 58.35 1nya s SER 134 Cb -0.11 -1.95 1.24 0.00 -1.71 0.00 0.00 66.02 63.48 1nya s SER 134 CO 0.26 -1.31 2.01 0.07 1.20 0.00 0.00 173.24 175.46 1nya h LYS 135 N -0.63 0.00 0.00 5.44 2.10 -1.97 -2.05 116.57 119.46 1nya h LYS 135 Ca -0.45 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.11 1nya h LYS 135 Cb 1.25 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.57 1nya h LYS 135 CO 0.64 0.17 -0.48 0.00 -2.00 0.00 0.00 179.45 177.78 1nya h ALA 136 N 1.83 0.71 -0.20 0.07 0.00 -2.01 -3.31 119.26 116.34 1nya h ALA 136 Ca -0.00 -0.42 -0.18 0.00 0.00 0.00 0.00 54.91 54.31 1nya h ALA 136 Cb 0.40 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1nya h ALA 136 CO 0.02 0.56 -0.58 0.93 0.00 0.00 0.00 179.25 180.19 1nya h GLU 137 N 0.00 0.75 0.51 0.00 4.39 -1.74 -3.09 114.58 115.39 1nya h GLU 137 Ca -0.01 -0.54 -0.02 0.00 0.34 0.00 0.00 59.36 59.13 1nya h GLU 137 Cb 1.35 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 30.09 1nya h GLU 137 CO 0.06 1.16 -0.28 0.00 -1.16 0.00 0.00 179.01 178.78 1nya h ALA 138 N 0.59 -0.74 -0.91 3.43 0.00 -1.62 0.19 119.26 120.20 1nya h ALA 138 Ca -0.02 -0.15 0.21 0.00 0.00 0.00 0.00 54.91 54.95 1nya h ALA 138 Cb 1.20 0.32 -0.12 0.00 0.00 0.00 0.00 17.79 19.20 1nya h ALA 138 CO 0.12 -0.92 0.46 0.00 0.00 0.00 0.00 179.25 178.91 1nya h ALA 139 N -0.27 1.49 -0.04 0.00 0.00 -1.65 0.20 119.26 118.98 1nya h ALA 139 Ca -0.06 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1nya h ALA 139 Cb 0.58 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1nya h ALA 139 CO 0.09 -0.25 -0.06 0.93 0.00 0.00 0.00 179.25 179.97 1nya h GLU 140 N 0.52 0.11 -0.52 0.00 3.07 -1.40 -3.16 114.58 113.20 1nya h GLU 140 Ca 0.56 -0.06 -0.05 0.00 -0.50 0.00 0.00 59.36 59.30 1nya h GLU 140 Cb 0.98 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.87 1nya h GLU 140 CO -0.47 0.60 0.13 0.00 -1.40 0.00 0.00 179.01 177.88 1nya h ALA 141 N 0.51 1.26 0.48 3.43 0.00 -0.15 -2.88 119.26 121.90 1nya h ALA 141 Ca 0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1nya h ALA 141 Cb 0.58 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1nya h ALA 141 CO 0.01 0.52 -0.51 0.35 0.00 0.00 0.00 179.25 179.63 1nya h PHE 142 N 0.77 -1.41 -0.79 0.00 3.57 -0.67 -2.14 116.94 116.27 1nya h PHE 142 Ca 0.17 0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.81 1nya h PHE 142 Cb 0.27 0.55 -0.06 0.00 2.79 0.00 0.00 35.95 39.51 1nya h PHE 142 CO 0.02 -0.67 0.52 -0.91 -2.23 0.00 0.00 178.31 175.03 1nya h ASN 143 N -0.99 0.55 0.28 0.41 2.35 -1.51 -0.76 115.58 115.91 1nya h ASN 143 Ca -0.06 0.02 -0.07 0.00 -0.55 0.00 0.00 56.30 55.64 1nya h ASN 143 Cb 0.87 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 39.14 1nya h ASN 143 CO -0.08 0.30 -0.32 1.56 -1.65 0.00 0.00 177.43 177.24 1nya h GLN 144 N 0.59 0.07 0.11 0.81 1.08 -1.24 -3.15 115.11 113.39 1nya h GLN 144 Ca 0.38 -0.02 -0.30 0.00 -1.45 0.00 0.00 58.65 57.26 1nya h GLN 144 Cb 0.65 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.07 1nya h GLN 144 CO -0.14 0.38 -1.49 0.28 -0.95 0.00 0.00 178.83 176.91 1nya h VAL 145 N 0.06 1.20 -0.12 -0.54 2.07 -0.52 -3.42 116.25 114.98 1nya h VAL 145 Ca 0.01 -2.83 -0.12 0.00 0.82 0.00 0.00 66.70 64.57 1nya h VAL 145 Cb 0.60 2.78 0.01 0.00 -1.52 0.00 0.00 31.29 33.16 1nya h VAL 145 CO 0.04 0.82 0.35 0.47 0.02 0.00 0.00 177.57 179.27 1nya n ASP 146 N -3.45 1.54 -0.08 0.57 8.00 -0.78 -4.70 116.55 117.65 1nya n ASP 146 Ca -0.15 -2.52 0.13 0.00 0.71 0.00 0.00 54.79 52.95 1nya n ASP 146 Cb 1.04 -1.59 0.52 0.00 -0.02 0.00 0.00 41.12 41.07 1nya n ASP 146 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 1nya h THR 147 N 6.39 0.87 -0.54 -3.53 2.02 -1.85 -1.11 112.91 115.16 1nya h THR 147 Ca 0.07 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.12 1nya h THR 147 Cb 0.95 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 67.84 1nya h THR 147 CO 1.17 0.07 0.00 -0.46 0.37 0.00 0.00 175.52 176.67 1nya n ASN 148 N -4.46 3.57 -4.46 4.18 0.23 -1.26 -4.96 115.26 108.10 1nya n ASN 148 Ca 0.10 -1.99 -0.40 0.00 -0.53 0.00 0.00 54.58 51.76 1nya n ASN 148 Cb 0.40 -0.36 -0.07 0.00 -2.08 0.00 0.00 39.78 37.67 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 1.56 -0.38 0.21 4.83 0.00 -0.42 -4.79 105.19 106.20 1nya n GLY 149 Ca 0.21 0.09 0.11 0.00 0.00 0.00 0.00 46.02 46.44 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 -2.55 1.36 0.00 1.61 0.23 -1.26 -4.97 115.26 109.68 1nya n ASN 150 Ca 0.06 -1.13 0.00 0.00 -0.53 0.00 0.00 54.58 52.98 1nya n ASN 150 Cb 0.49 0.67 0.00 0.00 -2.08 0.00 0.00 39.78 38.86 1nya n ASN 150 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1nya n GLY 151 N 1.46 0.75 2.97 4.83 0.00 -1.26 -5.05 105.19 108.89 1nya n GLY 151 Ca 0.07 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.89 1nya n GLY 151 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1nya s GLU 152 N -0.52 0.91 -0.47 1.61 4.04 -1.26 -4.56 118.70 118.45 1nya s GLU 152 Ca 0.00 -0.25 -0.14 0.00 0.04 0.00 0.00 54.97 54.62 1nya s GLU 152 Cb 0.00 -0.86 0.08 0.00 0.02 0.00 0.00 34.13 33.37 1nya s GLU 152 CO 0.00 0.06 0.37 -0.51 -1.84 0.00 0.00 175.26 173.34 1nya s LEU 153 N 0.36 5.57 0.46 1.83 1.43 -0.62 -4.91 118.68 122.79 1nya s LEU 153 Ca -0.05 -1.45 -0.03 0.00 -1.03 0.00 0.00 54.13 51.57 1nya s LEU 153 Cb -0.10 -2.13 -0.02 0.00 0.03 0.00 0.00 46.19 43.97 1nya s LEU 153 CO 0.01 -0.64 0.72 -0.55 0.23 0.00 0.00 176.35 176.11 1nya s SER 154 N 2.59 6.03 0.35 2.29 0.15 -1.26 -0.13 113.70 123.72 1nya s SER 154 Ca 0.04 0.61 0.17 0.00 0.70 0.00 0.00 55.95 57.46 1nya s SER 154 Cb -0.25 -1.91 1.20 0.00 -1.71 0.00 0.00 66.02 63.36 1nya s SER 154 CO 0.05 -0.64 1.61 -0.07 1.20 0.00 0.00 173.24 175.38 1nya h LEU 155 N 0.31 0.30 0.69 3.45 -0.00 -1.98 0.43 115.31 118.52 1nya h LEU 155 Ca -0.47 0.24 -0.03 0.00 -0.00 0.00 0.00 57.88 57.62 1nya h LEU 155 Cb 1.23 0.25 -0.01 0.00 -0.00 0.00 0.00 40.66 42.13 1nya h LEU 155 CO 0.60 -0.33 -0.46 0.44 -0.00 0.00 0.00 178.44 178.69 1nya h ASP 156 N 0.10 -1.18 0.31 -0.43 5.19 -1.98 -2.25 116.42 116.19 1nya h ASP 156 Ca 0.78 0.07 0.00 0.00 -0.62 0.00 0.00 57.03 57.27 1nya h ASP 156 Cb 1.95 0.35 0.00 0.00 0.18 0.00 0.00 39.33 41.82 1nya h ASP 156 CO -0.73 -0.69 0.00 -0.62 -3.12 0.00 0.00 179.24 174.08 1nya n GLU 157 N -5.33 0.14 0.20 3.56 1.02 -0.03 -3.02 120.64 117.19 1nya n GLU 157 Ca -0.13 0.52 -0.09 0.00 -0.02 0.00 0.00 57.16 57.44 1nya n GLU 157 Cb 0.46 -1.86 -0.04 0.00 -0.02 0.00 0.00 31.44 29.97 1nya n GLU 157 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1nya h LEU 158 N 0.00 -0.50 -0.99 -4.62 3.38 -0.50 -3.09 115.31 108.99 1nya h LEU 158 Ca 0.00 0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.07 1nya h LEU 158 Cb 0.16 0.13 -0.07 0.00 0.09 0.00 0.00 40.66 40.96 1nya h LEU 158 CO 0.00 -0.08 0.63 -0.07 0.09 0.00 0.00 178.44 179.01 1nya h LEU 159 N -1.15 0.98 0.02 1.67 3.38 -1.42 -0.21 115.31 118.58 1nya h LEU 159 Ca -0.06 0.03 0.03 0.00 0.09 0.00 0.00 57.88 57.96 1nya h LEU 159 Cb 0.45 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.97 1nya h LEU 159 CO 0.10 0.58 -0.41 0.74 0.09 0.00 0.00 178.44 179.54 1nya h THR 160 N 1.09 0.17 -0.74 0.22 2.02 -1.62 -0.36 112.91 113.68 1nya h THR 160 Ca 0.46 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.60 1nya h THR 160 Cb 0.30 0.17 -0.03 0.00 -1.74 0.00 0.00 68.15 66.84 1nya h THR 160 CO -0.21 0.00 0.33 0.00 0.37 0.00 0.00 175.52 176.01 1nya h ALA 161 N -0.04 0.96 -1.08 6.16 0.00 -1.37 -3.28 119.26 120.61 1nya h ALA 161 Ca 0.04 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1nya h ALA 161 Cb 0.65 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1nya h ALA 161 CO -0.30 0.55 0.00 0.28 0.00 0.00 0.00 179.25 179.78 1nya n VAL 162 N -4.37 0.00 -2.50 0.00 0.31 -0.13 -3.84 118.33 107.79 1nya n VAL 162 Ca 0.06 1.32 -0.40 0.00 -0.01 0.00 0.00 64.34 65.32 1nya n VAL 162 Cb 0.15 -2.10 -0.03 0.00 -0.91 0.00 0.00 33.84 30.95 1nya n VAL 162 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 1nya s ARG 163 N -2.28 3.45 -0.07 5.55 6.06 -0.22 -3.00 118.95 128.44 1nya s ARG 163 Ca 0.00 -0.97 0.03 0.00 -2.50 0.00 0.00 55.73 52.29 1nya s ARG 163 Cb 0.00 -5.25 0.09 0.00 0.06 0.00 0.00 34.95 29.85 1nya s ARG 163 CO 0.00 -2.33 0.70 -3.47 -2.50 0.00 0.00 175.30 167.70 1nya n ASP 164 N 9.47 -0.55 -0.11 -2.12 -0.08 -1.25 -4.83 116.55 117.08 1nya n ASP 164 Ca 0.32 -1.21 0.10 0.00 -1.51 0.00 0.00 54.79 52.49 1nya n ASP 164 Cb 0.50 0.22 -0.09 0.00 2.34 0.00 0.00 41.12 44.09 1nya n ASP 164 CO 0.00 0.00 0.00 2.22 0.12 0.00 0.00 177.20 179.54 1nya n PHE 165 N -0.34 0.00 0.00 -0.67 -1.74 -1.26 -3.87 117.46 109.58 1nya n PHE 165 Ca -0.10 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.79 1nya n PHE 165 Cb 0.56 -0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.56 1nya n PHE 165 CO 0.00 0.00 0.00 1.58 -0.56 0.00 0.00 176.76 177.78 1nya n HIS 166 N -1.16 0.00 -3.79 2.97 -0.00 -1.26 -4.02 115.22 107.96 1nya n HIS 166 Ca 0.05 0.00 -0.36 0.00 0.46 0.00 0.00 57.72 57.87 1nya n HIS 166 Cb 0.36 -0.41 -0.12 0.00 -0.12 0.00 0.00 29.99 29.70 1nya n HIS 166 CO 0.00 0.00 0.00 -0.06 0.46 0.00 0.00 176.34 176.74 1nya s PHE 167 N -2.65 3.13 -0.38 1.57 0.08 -1.26 -4.74 117.98 113.73 1nya s PHE 167 Ca 0.00 -0.25 -0.21 0.00 0.12 0.00 0.00 56.93 56.59 1nya s PHE 167 Cb 0.00 -2.23 0.03 0.00 -0.57 0.00 0.00 43.02 40.25 1nya s PHE 167 CO 0.00 -0.23 0.49 0.41 -0.10 0.00 0.00 175.22 175.79 1nya n GLY 168 N 4.68 -0.95 3.57 4.36 0.00 -1.26 -4.80 105.19 110.78 1nya n GLY 168 Ca -0.16 1.00 -0.47 0.00 0.00 0.00 0.00 46.02 46.39 1nya n GLY 168 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1nya n ARG 169 N 0.04 1.12 -0.02 1.61 1.85 -1.26 -4.88 116.66 115.13 1nya n ARG 169 Ca 0.01 0.40 -0.05 0.00 -1.00 0.00 0.00 57.85 57.21 1nya n ARG 169 Cb 0.50 -1.80 -0.02 0.00 -1.05 0.00 0.00 32.46 30.09 1nya n ARG 169 CO 0.00 0.00 0.00 1.47 -0.01 0.00 0.00 177.63 179.09 1nya n LEU 170 N 1.70 0.58 -0.04 2.89 -0.00 -1.25 -4.84 117.00 116.04 1nya n LEU 170 Ca 0.13 0.09 0.01 0.00 -0.00 0.00 0.00 56.01 56.24 1nya n LEU 170 Cb 0.27 -0.22 -0.13 0.00 -0.00 0.00 0.00 43.42 43.35 1nya n LEU 170 CO 0.60 -0.05 -0.84 -0.67 -0.00 0.00 0.00 177.39 176.44 1nya n ASP 171 N -3.34 1.17 0.00 1.45 2.03 -1.26 -4.95 116.55 111.64 1nya n ASP 171 Ca -0.09 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.22 1nya n ASP 171 Cb 0.48 1.36 0.00 0.00 -0.72 0.00 0.00 41.12 42.24 1nya n ASP 171 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1nya n VAL 172 N -2.31 0.00 -2.46 5.18 0.31 -1.26 -4.91 118.33 112.88 1nya n VAL 172 Ca -0.13 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 1nya n VAL 172 Cb 0.70 -0.45 0.00 0.00 -0.91 0.00 0.00 33.84 33.17 1nya n VAL 172 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1nya n GLU 173 N -2.16 0.00 0.47 5.55 2.13 -1.16 -4.02 120.64 121.45 1nya n GLU 173 Ca 0.00 0.00 -0.18 0.00 0.66 0.00 0.00 57.16 57.64 1nya n GLU 173 Cb 0.18 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 31.80 1nya n GLU 173 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 1nya h LEU 174 N 0.00 -1.01 -9.56 4.31 3.38 -1.91 -3.44 115.31 107.07 1nya h LEU 174 Ca 0.00 0.03 -0.59 0.00 0.09 0.00 0.00 57.88 57.42 1nya h LEU 174 Cb 0.00 0.26 0.15 0.00 0.09 0.00 0.00 40.66 41.16 1nya h LEU 174 CO 0.00 -0.68 -0.08 0.00 0.09 0.00 0.00 178.44 177.77 1nya n LEU 175 N -5.45 1.76 0.00 1.67 -0.00 -1.26 -5.08 117.00 108.65 1nya n LEU 175 Ca -0.15 0.93 0.00 0.00 -0.00 0.00 0.00 56.01 56.79 1nya n LEU 175 Cb 0.47 -1.27 0.00 0.00 -0.00 0.00 0.00 43.42 42.63 1nya n LEU 175 CO 0.36 -2.14 0.00 0.61 -0.00 0.00 0.00 177.39 176.22