#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 3.17 -1.69 4.28 2.01 -1.26 -4.91 115.64 117.25 1nya s THR 2 Ca 0.00 0.65 0.17 0.00 0.31 0.00 0.00 61.69 62.82 1nya s THR 2 Cb 0.00 -3.20 0.39 0.00 0.01 0.00 0.00 72.50 69.70 1nya s THR 2 CO 0.00 -0.24 1.48 0.00 -0.69 0.00 0.00 174.62 175.17 1nya n ALA 3 N -1.79 2.03 0.09 7.40 0.00 -1.26 -2.84 120.51 124.14 1nya n ALA 3 Ca 0.11 -0.09 -0.12 0.00 0.00 0.00 0.00 53.44 53.34 1nya n ALA 3 Cb 0.51 -1.28 -0.11 0.00 0.00 0.00 0.00 19.45 18.57 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 1.56 -0.71 0.00 1.08 -2.02 -3.31 117.51 114.12 1nya h ILE 4 Ca 0.00 -3.10 0.01 0.00 -0.39 0.00 0.00 64.86 61.39 1nya h ILE 4 Cb 0.09 2.84 -0.04 0.00 -3.07 0.00 0.00 36.82 36.64 1nya h ILE 4 CO 0.00 0.90 0.47 0.00 -0.69 0.00 0.00 178.15 178.83 1nya h ALA 5 N 0.76 1.52 -0.06 1.87 0.00 -1.92 -2.64 119.26 118.79 1nya h ALA 5 Ca -0.08 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1nya h ALA 5 Cb 1.84 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 19.35 1nya h ALA 5 CO 0.17 0.44 0.03 0.77 0.00 0.00 0.00 179.25 180.66 1nya h SER 6 N 0.94 0.08 -0.14 0.00 0.02 -1.76 -1.49 113.55 111.20 1nya h SER 6 Ca 0.27 -0.09 0.04 0.00 -0.84 0.00 0.00 61.79 61.17 1nya h SER 6 Cb -0.07 -0.02 -0.04 0.00 0.14 0.00 0.00 62.40 62.41 1nya h SER 6 CO -0.06 0.14 -0.12 -0.78 -1.14 0.00 0.00 176.83 174.87 1nya h ASP 7 N 0.00 -0.38 -0.74 3.07 3.58 -1.60 1.09 116.42 121.44 1nya h ASP 7 Ca 0.02 0.08 -0.03 0.00 0.42 0.00 0.00 57.03 57.52 1nya h ASP 7 Cb 0.08 0.19 -0.03 0.00 1.72 0.00 0.00 39.33 41.29 1nya h ASP 7 CO -0.00 -0.16 0.36 0.03 -2.88 0.00 0.00 179.24 176.59 1nya h ARG 8 N -0.14 1.07 0.03 0.28 2.47 -1.43 -2.07 114.38 114.59 1nya h ARG 8 Ca 0.09 -0.15 -0.22 0.00 -1.26 0.00 0.00 59.98 58.43 1nya h ARG 8 Cb 0.27 -0.19 -0.00 0.00 -1.65 0.00 0.00 29.97 28.39 1nya h ARG 8 CO -0.22 0.83 -0.98 -0.07 0.56 0.00 0.00 179.97 180.09 1nya h LEU 9 N 1.04 0.40 0.64 3.04 3.38 -0.87 -2.83 115.31 120.11 1nya h LEU 9 Ca 0.26 -0.35 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 1nya h LEU 9 Cb 0.11 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 40.74 1nya h LEU 9 CO -0.03 1.17 -0.31 0.50 0.09 0.00 0.00 178.44 179.86 1nya h LYS 10 N 0.15 -0.83 -0.43 1.13 3.11 0.14 -2.72 116.57 117.12 1nya h LYS 10 Ca -0.08 0.06 0.04 0.00 -2.81 0.00 0.00 60.65 57.86 1nya h LYS 10 Cb 1.63 0.19 -0.04 0.00 -1.00 0.00 0.00 32.23 33.01 1nya h LYS 10 CO 0.16 -0.53 0.18 0.87 -2.81 0.00 0.00 179.45 177.33 1nya h LYS 11 N -0.93 0.37 -1.07 1.90 1.79 -1.49 -1.73 116.57 115.40 1nya h LYS 11 Ca -0.09 -0.02 0.29 0.00 -2.18 0.00 0.00 60.65 58.65 1nya h LYS 11 Cb 0.68 -0.08 -0.10 0.00 -1.58 0.00 0.00 32.23 31.15 1nya h LYS 11 CO 0.14 0.24 0.68 0.00 -1.08 0.00 0.00 179.45 179.44 1nya h ARG 12 N 0.38 0.36 0.17 3.15 3.08 -1.41 1.60 114.38 121.71 1nya h ARG 12 Ca 0.19 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.21 1nya h ARG 12 Cb 0.14 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.12 1nya h ARG 12 CO -0.17 0.24 -0.08 0.35 -1.07 0.00 0.00 179.97 179.24 1nya h PHE 13 N 0.37 -0.21 0.00 3.04 3.04 -1.00 -3.26 116.94 118.91 1nya h PHE 13 Ca 0.63 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.58 1nya h PHE 13 Cb 1.62 0.07 0.00 0.00 2.56 0.00 0.00 35.95 40.20 1nya h PHE 13 CO -0.00 0.18 0.00 0.22 -2.02 0.00 0.00 178.31 176.69 1nya h ASP 14 N -0.92 0.00 0.86 0.41 1.82 -0.92 -2.65 116.42 115.02 1nya h ASP 14 Ca -0.02 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.62 1nya h ASP 14 Cb 0.49 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.50 1nya h ASP 14 CO 0.04 0.00 0.00 0.03 -1.61 0.00 0.00 179.24 177.70 1nya h ARG 15 N 0.00 0.00 0.00 0.28 2.47 0.23 -3.40 114.38 113.96 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 0.42 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.74 1nya h ARG 15 CO 0.00 0.00 0.00 0.91 0.56 0.00 0.00 179.97 181.44 1nya n TRP 16 N -2.78 0.00 -3.66 3.04 7.02 -1.00 -5.01 117.44 115.04 1nya n TRP 16 Ca 0.01 0.00 -0.27 0.00 -1.02 0.00 0.00 57.50 56.22 1nya n TRP 16 Cb 0.27 0.00 0.01 0.00 -2.42 0.00 0.00 31.31 29.17 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 -5.23 -0.14 -0.99 -0.08 -1.24 -4.84 116.55 104.03 1nya n ASP 17 Ca 0.00 -0.67 -0.03 0.00 -1.51 0.00 0.00 54.79 52.58 1nya n ASP 17 Cb 0.00 -1.91 0.05 0.00 2.34 0.00 0.00 41.12 41.60 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 0.46 0.07 0.00 -0.67 -1.00 -1.93 -2.77 116.94 111.11 1nya h PHE 18 Ca -0.58 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.23 1nya h PHE 18 Cb 1.38 0.04 0.00 0.00 3.61 0.00 0.00 35.95 40.97 1nya h PHE 18 CO 0.16 -0.04 -1.22 -0.40 -1.61 0.00 0.00 178.31 175.20 1nya n ASP 19 N -5.15 0.62 -0.80 2.17 5.75 -1.26 -5.00 116.55 112.87 1nya n ASP 19 Ca 0.04 -0.49 -0.01 0.00 -0.01 0.00 0.00 54.79 54.32 1nya n ASP 19 Cb 0.23 1.14 0.01 0.00 -1.03 0.00 0.00 41.12 41.47 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 1.40 0.75 0.03 6.12 0.00 -1.05 -4.97 105.19 107.47 1nya n GLY 20 Ca 0.02 -0.58 0.11 0.00 0.00 0.00 0.00 46.02 45.57 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 0.66 0.63 0.00 1.61 6.94 -1.26 -4.96 115.26 118.88 1nya n ASN 21 Ca -0.00 -0.26 0.00 0.00 -0.02 0.00 0.00 54.58 54.29 1nya n ASN 21 Cb 0.51 0.73 0.00 0.00 -2.36 0.00 0.00 39.78 38.66 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 1.39 0.67 3.71 4.83 0.00 -1.26 -5.05 105.19 109.48 1nya n GLY 22 Ca 0.03 -0.65 -0.08 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.68 -0.21 4.61 0.00 -1.26 -4.62 121.76 117.60 1nya s ALA 23 Ca 0.00 -0.62 -0.04 0.00 0.00 0.00 0.00 51.96 51.30 1nya s ALA 23 Cb 0.00 0.97 -0.01 0.00 0.00 0.00 0.00 23.12 24.08 1nya s ALA 23 CO 0.00 -0.94 -0.03 -0.51 0.00 0.00 0.00 175.76 174.28 1nya s LEU 24 N -2.97 2.98 0.46 0.00 1.02 -0.80 -4.82 118.68 114.55 1nya s LEU 24 Ca 0.17 -0.34 0.04 0.00 0.02 0.00 0.00 54.13 54.02 1nya s LEU 24 Cb -0.03 -1.76 -0.04 0.00 0.02 0.00 0.00 46.19 44.38 1nya s LEU 24 CO 0.08 0.01 0.01 -1.61 0.02 0.00 0.00 176.35 174.86 1nya s GLU 25 N 1.32 2.06 0.20 1.70 2.02 -1.26 -2.30 118.70 122.45 1nya s GLU 25 Ca 0.04 -2.25 -0.05 0.00 0.02 0.00 0.00 54.97 52.73 1nya s GLU 25 Cb -0.14 -1.52 0.15 0.00 0.10 0.00 0.00 34.13 32.72 1nya s GLU 25 CO -0.01 -0.22 1.62 -0.09 0.02 0.00 0.00 175.26 176.57 1nya h ARG 26 N 1.58 0.82 0.00 1.61 2.43 -1.83 -2.59 114.38 116.40 1nya h ARG 26 Ca -0.44 -0.33 -0.00 0.00 -0.81 0.00 0.00 59.98 58.40 1nya h ARG 26 Cb 1.28 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.79 1nya h ARG 26 CO 0.76 0.96 -0.00 0.00 -1.51 0.00 0.00 179.97 180.18 1nya h ALA 27 N 1.04 1.02 -0.08 2.80 0.00 -1.96 -0.84 119.26 121.24 1nya h ALA 27 Ca 0.10 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 1nya h ALA 27 Cb 0.74 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1nya h ALA 27 CO 0.06 0.00 -0.40 -0.44 0.00 0.00 0.00 179.25 178.47 1nya h ASP 28 N 0.00 0.18 0.23 0.00 3.32 -1.87 -2.20 116.42 116.08 1nya h ASP 28 Ca -0.00 -0.07 -0.27 0.00 0.02 0.00 0.00 57.03 56.71 1nya h ASP 28 Cb 0.05 -0.05 0.02 0.00 0.22 0.00 0.00 39.33 39.57 1nya h ASP 28 CO 0.00 0.57 -1.11 -0.26 -1.72 0.00 0.00 179.24 176.72 1nya h PHE 29 N 0.15 0.83 -0.65 4.55 0.04 -1.27 -1.93 116.94 118.65 1nya h PHE 29 Ca 0.01 -0.49 -0.05 0.00 2.80 0.00 0.00 57.97 60.24 1nya h PHE 29 Cb 0.78 -0.08 -0.03 0.00 2.20 0.00 0.00 35.95 38.83 1nya h PHE 29 CO 0.01 1.33 0.22 0.93 -0.60 0.00 0.00 178.31 180.21 1nya h GLU 30 N 0.26 1.01 -0.25 1.51 5.08 -1.41 -1.20 114.58 119.57 1nya h GLU 30 Ca -0.14 -0.21 -0.05 0.00 -1.00 0.00 0.00 59.36 57.97 1nya h GLU 30 Cb 1.77 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.86 1nya h GLU 30 CO 0.20 0.87 -0.05 0.87 -1.00 0.00 0.00 179.01 179.91 1nya h LYS 31 N 0.94 0.48 -0.22 2.33 1.79 -1.45 -2.72 116.57 117.73 1nya h LYS 31 Ca 0.21 -0.18 0.06 0.00 -2.18 0.00 0.00 60.65 58.57 1nya h LYS 31 Cb 0.27 -0.03 -0.07 0.00 -1.58 0.00 0.00 32.23 30.82 1nya h LYS 31 CO -0.01 0.69 -0.22 1.49 -1.08 0.00 0.00 179.45 180.31 1nya h GLU 32 N 0.23 -0.23 -0.35 3.15 4.81 -1.05 0.48 114.58 121.62 1nya h GLU 32 Ca 0.07 0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.39 1nya h GLU 32 Cb 0.50 0.05 -0.08 0.00 0.63 0.00 0.00 28.75 29.86 1nya h GLU 32 CO 0.02 -0.15 -0.17 0.00 -0.73 0.00 0.00 179.01 177.97 1nya h ALA 33 N 0.81 0.09 -0.01 2.92 0.00 -1.18 -1.70 119.26 120.18 1nya h ALA 33 Ca 0.13 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 1nya h ALA 33 Cb 0.43 0.42 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 1nya h ALA 33 CO -0.36 -0.55 0.01 0.37 0.00 0.00 0.00 179.25 178.72 1nya h GLN 34 N -0.12 0.02 -0.34 0.00 5.75 -1.01 -1.61 115.11 117.80 1nya h GLN 34 Ca 0.18 -0.00 0.10 0.00 -0.15 0.00 0.00 58.65 58.77 1nya h GLN 34 Cb 0.39 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.92 1nya h GLN 34 CO -0.42 0.04 0.50 0.45 -2.65 0.00 0.00 178.83 176.75 1nya h HIS 35 N -0.01 0.00 0.00 3.99 3.86 0.66 -1.54 115.15 122.10 1nya h HIS 35 Ca 0.00 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.13 1nya h HIS 35 Cb 0.03 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.49 1nya h HIS 35 CO -0.07 0.00 -0.53 0.82 0.86 0.00 0.00 177.93 179.01 1nya h ILE 36 N 0.00 0.97 -0.91 2.45 1.08 -0.46 -3.32 117.51 117.32 1nya h ILE 36 Ca 0.16 -1.91 0.26 0.00 -0.39 0.00 0.00 64.86 62.98 1nya h ILE 36 Cb 1.15 2.02 -0.15 0.00 -3.07 0.00 0.00 36.82 36.78 1nya h ILE 36 CO -0.00 0.33 0.27 0.00 -0.69 0.00 0.00 178.15 178.06 1nya h ALA 37 N -0.46 1.39 -0.96 1.87 0.00 -0.39 0.51 119.26 121.22 1nya h ALA 37 Ca -0.13 0.23 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1nya h ALA 37 Cb 0.90 0.32 -0.05 0.00 0.00 0.00 0.00 17.79 18.97 1nya h ALA 37 CO -0.08 -0.51 0.59 1.49 0.00 0.00 0.00 179.25 180.74 1nya h GLU 38 N 0.19 1.30 -0.10 0.00 4.22 -1.64 -1.87 114.58 116.68 1nya h GLU 38 Ca 0.59 -0.11 0.03 0.00 0.08 0.00 0.00 59.36 59.95 1nya h GLU 38 Cb 1.25 -0.27 -0.00 0.00 0.50 0.00 0.00 28.75 30.22 1nya h GLU 38 CO -0.68 0.90 0.07 0.00 -2.18 0.00 0.00 179.01 177.12 1nya h ALA 39 N 1.32 2.08 -0.10 2.92 0.00 -0.09 0.25 119.26 125.64 1nya h ALA 39 Ca 0.35 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1nya h ALA 39 Cb -0.07 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1nya h ALA 39 CO -0.07 -0.13 0.00 1.19 0.00 0.00 0.00 179.25 180.25 1nya n PHE 40 N -4.48 0.12 -3.40 0.00 3.72 -0.71 -4.97 117.46 107.75 1nya n PHE 40 Ca -0.01 -0.06 -0.25 0.00 -0.05 0.00 0.00 57.45 57.09 1nya n PHE 40 Cb 0.19 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.75 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 1.08 -0.67 0.00 1.37 0.00 0.87 -4.99 105.19 102.84 1nya n GLY 41 Ca 0.17 0.97 0.00 0.00 0.00 0.00 0.00 46.02 47.15 1nya n GLY 41 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1nya n LYS 42 N -1.01 0.00 -0.23 1.61 4.81 -1.25 -5.08 118.16 117.01 1nya n LYS 42 Ca -0.10 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.25 1nya n LYS 42 Cb 0.62 0.00 0.08 0.00 0.02 0.00 0.00 35.03 35.75 1nya n LYS 42 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1nya n ASP 43 N 0.00 -1.80 0.14 3.14 5.68 -1.26 -4.92 116.55 117.52 1nya n ASP 43 Ca 0.00 -0.55 0.00 0.00 -0.50 0.00 0.00 54.79 53.74 1nya n ASP 43 Cb 0.00 -0.30 0.00 0.00 -1.14 0.00 0.00 41.12 39.68 1nya n ASP 43 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1nya n ALA 44 N -3.67 3.00 -0.57 2.12 0.00 -1.26 -4.73 120.51 115.40 1nya n ALA 44 Ca -0.06 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.32 1nya n ALA 44 Cb 0.18 0.02 0.23 0.00 0.00 0.00 0.00 19.45 19.87 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 1.63 3.25 0.00 0.00 0.00 -1.26 -4.67 105.19 104.15 1nya n GLY 45 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.08 4.61 0.00 -1.26 -4.86 120.51 118.80 1nya n ALA 46 Ca 0.33 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.63 1nya n ALA 46 Cb 1.18 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 20.54 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 0.10 -0.90 0.00 0.00 -1.98 -2.85 119.26 111.64 1nya h ALA 47 Ca 0.00 -0.72 0.17 0.00 0.00 0.00 0.00 54.91 54.36 1nya h ALA 47 Cb 0.00 0.36 -0.07 0.00 0.00 0.00 0.00 17.79 18.08 1nya h ALA 47 CO 0.00 0.35 0.58 0.93 0.00 0.00 0.00 179.25 181.11 1nya h GLU 48 N -1.00 0.54 0.09 0.00 4.39 -1.98 0.44 114.58 117.06 1nya h GLU 48 Ca -0.14 -0.03 -0.27 0.00 0.34 0.00 0.00 59.36 59.26 1nya h GLU 48 Cb 0.93 -0.12 0.03 0.00 -0.10 0.00 0.00 28.75 29.49 1nya h GLU 48 CO -0.08 0.36 -1.12 -0.24 -1.16 0.00 0.00 179.01 176.76 1nya h VAL 49 N 0.55 1.31 -0.76 3.13 3.04 -1.87 -2.59 116.25 119.06 1nya h VAL 49 Ca 0.47 -2.38 0.01 0.00 -1.01 0.00 0.00 66.70 63.79 1nya h VAL 49 Cb 0.94 2.65 -0.04 0.00 -2.01 0.00 0.00 31.29 32.83 1nya h VAL 49 CO -0.21 0.72 0.50 -0.61 -1.01 0.00 0.00 177.57 176.97 1nya h GLN 50 N 0.23 0.99 0.45 4.17 4.15 -0.79 -0.48 115.11 123.82 1nya h GLN 50 Ca -0.16 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.18 1nya h GLN 50 Cb 1.80 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 29.26 1nya h GLN 50 CO 0.22 0.65 -0.31 1.15 -1.93 0.00 0.00 178.83 178.61 1nya h THR 51 N 1.02 0.36 0.09 2.39 2.02 -0.24 -0.55 112.91 117.99 1nya h THR 51 Ca 0.28 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.48 1nya h THR 51 Cb -0.10 0.36 -0.05 0.00 -1.74 0.00 0.00 68.15 66.62 1nya h THR 51 CO -0.07 0.00 -0.49 0.25 0.37 0.00 0.00 175.52 175.58 1nya h LEU 52 N -0.74 -1.49 -1.22 2.58 5.85 -1.04 -0.63 115.31 118.62 1nya h LEU 52 Ca -0.05 0.16 0.23 0.00 0.84 0.00 0.00 57.88 59.06 1nya h LEU 52 Cb 0.62 0.55 -0.10 0.00 0.37 0.00 0.00 40.66 42.11 1nya h LEU 52 CO 0.02 -0.51 0.63 0.11 -0.34 0.00 0.00 178.44 178.35 1nya h LYS 53 N -0.68 0.53 -0.81 1.25 1.57 -1.03 0.34 116.57 117.73 1nya h LYS 53 Ca -0.00 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1nya h LYS 53 Cb 0.70 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.85 1nya h LYS 53 CO -0.28 0.35 0.54 -0.91 -0.57 0.00 0.00 179.45 178.57 1nya h ASN 54 N 0.54 0.92 -0.26 0.86 4.21 0.37 -1.51 115.58 120.71 1nya h ASN 54 Ca 0.58 -0.02 -0.05 0.00 1.21 0.00 0.00 56.30 58.02 1nya h ASN 54 Cb 1.22 -0.23 -0.01 0.00 -1.12 0.00 0.00 38.32 38.18 1nya h ASN 54 CO -0.33 0.66 -0.01 0.00 -1.29 0.00 0.00 177.43 176.46 1nya h ALA 55 N 1.30 0.35 -0.35 -0.83 0.00 0.73 -2.81 119.26 117.65 1nya h ALA 55 Ca 0.30 -0.23 0.06 0.00 0.00 0.00 0.00 54.91 55.04 1nya h ALA 55 Cb -0.11 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1nya h ALA 55 CO -0.07 0.10 0.24 0.74 0.00 0.00 0.00 179.25 180.26 1nya h PHE 56 N 0.24 0.19 0.05 0.00 0.04 -0.84 -2.42 116.94 114.20 1nya h PHE 56 Ca 0.07 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.84 1nya h PHE 56 Cb 0.45 -0.06 0.00 0.00 2.20 0.00 0.00 35.95 38.53 1nya h PHE 56 CO 0.04 0.10 -0.03 0.78 -0.60 0.00 0.00 178.31 178.61 1nya h GLY 57 N 0.19 -0.07 2.00 -1.45 0.00 -1.02 -2.85 103.07 99.86 1nya h GLY 57 Ca 0.16 0.03 -0.02 0.00 0.00 0.00 0.00 47.33 47.50 1nya h GLY 57 CO -0.03 -0.03 -0.08 -1.33 0.00 0.00 0.00 176.54 175.07 1nya h GLY 58 N -0.25 0.00 0.61 4.60 0.00 -1.39 -2.50 103.07 104.14 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 0.01 0.00 0.46 -2.00 0.00 0.00 0.00 176.54 175.01 1nya h LEU 59 N 0.00 0.68 -1.05 3.11 5.85 -1.23 -1.54 115.31 121.14 1nya h LEU 59 Ca -0.00 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 1nya h LEU 59 Cb 0.15 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.05 1nya h LEU 59 CO 0.01 0.41 0.47 0.15 -0.34 0.00 0.00 178.44 179.14 1nya h PHE 60 N 0.81 1.10 -0.87 1.25 3.04 -1.44 -2.70 116.94 118.13 1nya h PHE 60 Ca 0.37 -0.01 0.23 0.00 3.98 0.00 0.00 57.97 62.53 1nya h PHE 60 Cb 0.28 -0.36 -0.15 0.00 2.56 0.00 0.00 35.95 38.28 1nya h PHE 60 CO -0.06 0.75 0.14 -0.44 -2.02 0.00 0.00 178.31 176.68 1nya h ASP 61 N 1.14 -0.18 -0.95 0.41 5.19 -1.33 0.63 116.42 121.33 1nya h ASP 61 Ca 0.29 0.21 0.03 0.00 -0.62 0.00 0.00 57.03 56.94 1nya h ASP 61 Cb -0.00 0.33 -0.05 0.00 0.18 0.00 0.00 39.33 39.78 1nya h ASP 61 CO -0.05 -0.20 0.63 0.22 -3.12 0.00 0.00 179.24 176.71 1nya h TYR 62 N 0.14 1.17 0.48 4.55 3.20 -1.53 -0.19 116.97 124.80 1nya h TYR 62 Ca 0.53 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.40 1nya h TYR 62 Cb 1.05 -0.39 0.00 0.00 1.54 0.00 0.00 36.73 38.93 1nya h TYR 62 CO -0.35 0.70 -0.23 -0.07 -1.64 0.00 0.00 178.16 176.57 1nya h LEU 63 N 1.23 -0.54 -0.51 2.82 3.38 0.13 0.89 115.31 122.70 1nya h LEU 63 Ca 0.37 -0.08 0.08 0.00 0.09 0.00 0.00 57.88 58.34 1nya h LEU 63 Cb -0.04 0.14 -0.07 0.00 0.09 0.00 0.00 40.66 40.78 1nya h LEU 63 CO -0.10 -0.18 0.12 0.00 0.09 0.00 0.00 178.44 178.37 1nya h ALA 64 N -0.66 0.59 0.32 1.53 0.00 -0.99 0.89 119.26 120.93 1nya h ALA 64 Ca -0.07 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1nya h ALA 64 Cb 0.59 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1nya h ALA 64 CO 0.11 -0.29 -0.15 -0.22 0.00 0.00 0.00 179.25 178.70 1nya h LYS 65 N 0.26 -0.41 -0.81 0.00 3.64 -1.06 0.82 116.57 119.02 1nya h LYS 65 Ca 0.25 0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.66 1nya h LYS 65 Cb 0.33 0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.21 1nya h LYS 65 CO -0.32 -0.12 0.49 1.49 -2.27 0.00 0.00 179.45 178.72 1nya h GLU 66 N -0.69 1.10 0.00 1.90 4.81 -0.57 -2.28 114.58 118.86 1nya h GLU 66 Ca -0.04 -0.10 -0.05 0.00 -0.13 0.00 0.00 59.36 59.03 1nya h GLU 66 Cb 0.48 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 1nya h GLU 66 CO 0.07 0.77 -0.26 0.00 -0.73 0.00 0.00 179.01 178.86 1nya h ALA 67 N 1.26 0.86 -3.62 2.92 0.00 0.82 -3.48 119.26 118.02 1nya h ALA 67 Ca 0.29 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 1nya h ALA 67 Cb -0.04 -0.04 0.07 0.00 0.00 0.00 0.00 17.79 17.78 1nya h ALA 67 CO -0.05 0.32 -0.33 0.41 0.00 0.00 0.00 179.25 179.60 1nya n GLY 68 N 0.91 0.09 0.02 0.00 0.00 0.27 -5.02 105.19 101.47 1nya n GLY 68 Ca 0.02 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1nya n GLY 68 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1nya n VAL 69 N -2.31 0.00 0.00 1.61 3.14 -0.42 -5.03 118.33 115.31 1nya n VAL 69 Ca -0.11 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.27 1nya n VAL 69 Cb 0.57 -0.42 0.00 0.00 -1.06 0.00 0.00 33.84 32.93 1nya n VAL 69 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1nya n GLY 70 N 3.44 2.23 0.29 7.55 0.00 -1.26 -4.89 105.19 112.55 1nya n GLY 70 Ca 0.00 -0.71 0.19 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.95 -1.89 113.55 111.99 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 0.00 0.00 -0.90 -0.53 0.00 0.00 176.83 175.40 1nya n ASP 72 N -2.94 2.75 -1.34 6.23 5.68 -1.26 -4.67 116.55 120.99 1nya n ASP 72 Ca -0.02 -2.26 0.00 0.00 -0.50 0.00 0.00 54.79 52.01 1nya n ASP 72 Cb 0.14 -0.23 0.00 0.00 -1.14 0.00 0.00 41.12 39.89 1nya n ASP 72 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1nya n GLY 73 N -0.13 1.09 3.08 6.12 0.00 -0.71 -5.03 105.19 109.61 1nya n GLY 73 Ca 0.10 -1.95 -0.09 0.00 0.00 0.00 0.00 46.02 44.08 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 0.26 0.03 1.61 1.04 -1.26 -4.58 113.70 109.80 1nya s SER 74 Ca 0.00 -0.62 0.07 0.00 0.48 0.00 0.00 55.95 55.88 1nya s SER 74 Cb 0.00 0.19 -0.03 0.00 0.10 0.00 0.00 66.02 66.28 1nya s SER 74 CO 0.00 -0.48 -0.19 -0.76 0.98 0.00 0.00 173.24 172.80 1nya s LEU 75 N -2.12 2.56 0.81 2.42 1.43 -0.97 -4.93 118.68 117.87 1nya s LEU 75 Ca -0.05 -0.42 -0.07 0.00 -1.03 0.00 0.00 54.13 52.56 1nya s LEU 75 Cb -0.01 -1.49 0.15 0.00 0.03 0.00 0.00 46.19 44.86 1nya s LEU 75 CO -0.05 0.27 1.12 0.42 0.23 0.00 0.00 176.35 178.33 1nya s THR 76 N -0.89 2.10 0.02 5.49 -4.23 -1.26 -1.90 115.64 114.97 1nya s THR 76 Ca 0.14 -0.35 -0.25 0.00 -1.18 0.00 0.00 61.69 60.05 1nya s THR 76 Cb -0.10 -2.75 -0.18 0.00 1.34 0.00 0.00 72.50 70.81 1nya s THR 76 CO 0.04 0.00 1.44 -0.08 -0.54 0.00 0.00 174.62 175.48 1nya h GLU 77 N -0.94 -0.04 -0.07 3.99 4.81 -2.00 -2.66 114.58 117.67 1nya h GLU 77 Ca -0.40 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 58.85 1nya h GLU 77 Cb 1.26 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.65 1nya h GLU 77 CO 0.41 0.25 0.07 0.93 -0.73 0.00 0.00 179.01 179.94 1nya h GLU 78 N -0.34 0.00 -0.12 1.92 5.08 -1.99 -2.10 114.58 117.03 1nya h GLU 78 Ca -0.00 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.28 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 -0.22 1.96 -1.00 0.00 0.00 179.01 179.76 1nya h GLN 79 N 0.00 0.35 -0.40 2.33 1.08 -1.88 -2.99 115.11 113.61 1nya h GLN 79 Ca 0.03 -0.22 0.08 0.00 -1.45 0.00 0.00 58.65 57.09 1nya h GLN 79 Cb 0.17 0.03 -0.07 0.00 -0.05 0.00 0.00 27.48 27.56 1nya h GLN 79 CO -0.00 0.82 -0.05 0.35 -0.95 0.00 0.00 178.83 179.00 1nya h PHE 80 N -0.07 -0.12 0.27 2.96 3.57 -1.04 -0.59 116.94 121.93 1nya h PHE 80 Ca 0.01 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.54 1nya h PHE 80 Cb 0.80 0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.62 1nya h PHE 80 CO 0.10 -0.13 -0.34 0.82 -2.23 0.00 0.00 178.31 176.54 1nya h ILE 81 N 0.05 0.30 0.00 1.41 2.04 -1.57 1.35 117.51 121.08 1nya h ILE 81 Ca 0.19 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.08 1nya h ILE 81 Cb 0.29 0.30 -0.04 0.00 -0.74 0.00 0.00 36.82 36.63 1nya h ILE 81 CO -0.37 0.00 -0.18 0.03 0.00 0.00 0.00 178.15 177.63 1nya h ARG 82 N -0.66 -0.29 -0.17 2.37 3.08 -1.32 0.76 114.38 118.15 1nya h ARG 82 Ca -0.00 0.02 -0.17 0.00 0.07 0.00 0.00 59.98 59.90 1nya h ARG 82 Cb 0.62 0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.73 1nya h ARG 82 CO -0.10 -0.19 -0.59 0.28 -1.07 0.00 0.00 179.97 178.29 1nya h VAL 83 N -0.30 1.33 -0.48 2.04 2.07 -1.01 -3.17 116.25 116.72 1nya h VAL 83 Ca 0.06 -1.86 -0.03 0.00 0.82 0.00 0.00 66.70 65.68 1nya h VAL 83 Cb 0.37 1.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.96 1nya h VAL 83 CO -0.17 0.58 0.18 0.74 0.02 0.00 0.00 177.57 178.92 1nya h THR 84 N 0.42 1.21 -0.32 2.57 2.02 0.20 -2.51 112.91 116.50 1nya h THR 84 Ca -0.00 -0.68 0.07 0.00 0.77 0.00 0.00 66.41 66.57 1nya h THR 84 Cb 1.15 0.76 -0.08 0.00 -1.74 0.00 0.00 68.15 68.24 1nya h THR 84 CO 0.11 0.25 -0.25 -0.33 0.37 0.00 0.00 175.52 175.68 1nya h GLU 85 N 0.64 -0.21 -0.88 6.66 5.08 -0.83 -1.06 114.58 123.97 1nya h GLU 85 Ca 0.16 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.55 1nya h GLU 85 Cb 0.21 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.47 1nya h GLU 85 CO -0.01 -0.14 0.58 -0.91 -1.00 0.00 0.00 179.01 177.53 1nya h ASN 86 N -0.22 0.99 -0.23 1.42 2.35 -1.51 0.25 115.58 118.64 1nya h ASN 86 Ca 0.16 -0.02 0.02 0.00 -0.55 0.00 0.00 56.30 55.91 1nya h ASN 86 Cb 0.47 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.57 1nya h ASN 86 CO -0.44 0.71 0.07 -0.07 -1.65 0.00 0.00 177.43 176.05 1nya h LEU 87 N 1.17 0.08 -0.22 1.61 3.38 -0.77 0.89 115.31 121.44 1nya h LEU 87 Ca 0.33 0.02 -0.22 0.00 0.09 0.00 0.00 57.88 58.11 1nya h LEU 87 Cb -0.08 0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1nya h LEU 87 CO -0.08 0.08 -0.85 0.40 0.09 0.00 0.00 178.44 178.08 1nya h ILE 88 N 0.18 1.35 0.00 1.22 2.04 -0.98 -3.41 117.51 117.90 1nya h ILE 88 Ca 0.10 -2.21 0.00 0.00 1.00 0.00 0.00 64.86 63.75 1nya h ILE 88 Cb 0.07 2.21 0.00 0.00 -0.74 0.00 0.00 36.82 38.36 1nya h ILE 88 CO -0.11 0.67 0.00 0.49 0.00 0.00 0.00 178.15 179.21 1nya n PHE 89 N -3.84 0.00 -0.02 1.37 3.72 0.86 -5.00 117.46 114.55 1nya n PHE 89 Ca -0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 1nya n PHE 89 Cb 0.78 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.32 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 -0.78 0.34 -0.62 -1.08 2.13 0.31 -4.95 120.64 115.99 1nya n GLU 90 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1nya n GLU 90 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 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 -0.45 -1.76 -1.93 5.31 1.13 -1.23 -4.51 117.38 113.95 1nya n GLN 91 Ca 0.00 1.29 -0.31 0.00 -1.94 0.00 0.00 57.00 56.03 1nya n GLN 91 Cb 0.00 -1.43 0.01 0.00 0.11 0.00 0.00 30.24 28.93 1nya n GLN 91 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1nya s GLY 92 N -1.93 1.80 0.15 1.08 0.00 -1.26 -4.94 107.32 102.22 1nya s GLY 92 Ca 0.00 0.06 -0.20 0.00 0.00 0.00 0.00 44.72 44.58 1nya s GLY 92 CO 0.00 0.34 1.66 -2.09 0.00 0.00 0.00 173.10 173.02 1nya h GLU 93 N -0.07 -0.11 0.00 2.90 4.81 -1.99 0.94 114.58 121.06 1nya h GLU 93 Ca -0.45 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 1nya h GLU 93 Cb 1.20 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.60 1nya h GLU 93 CO 0.60 -0.07 0.00 0.00 -0.73 0.00 0.00 179.01 178.81 1nya n ALA 94 N -2.66 1.20 -0.04 2.92 0.00 -1.26 -2.51 120.51 118.17 1nya n ALA 94 Ca -0.00 0.11 -0.15 0.00 0.00 0.00 0.00 53.44 53.40 1nya n ALA 94 Cb 0.23 -1.25 -0.12 0.00 0.00 0.00 0.00 19.45 18.30 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 0.13 -0.40 0.00 0.02 -1.17 -1.77 113.55 110.36 1nya h SER 95 Ca 0.00 -0.84 -0.08 0.00 -0.84 0.00 0.00 61.79 60.03 1nya h SER 95 Cb 0.09 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 1nya h SER 95 CO 0.00 0.96 -0.05 0.15 -1.14 0.00 0.00 176.83 176.75 1nya h PHE 96 N -0.69 0.82 -0.20 3.45 3.04 -1.36 -2.93 116.94 119.08 1nya h PHE 96 Ca -0.02 -0.16 -0.11 0.00 3.98 0.00 0.00 57.97 61.65 1nya h PHE 96 Cb 0.99 -0.21 -0.01 0.00 2.56 0.00 0.00 35.95 39.28 1nya h PHE 96 CO 0.21 0.84 -0.37 -0.91 -2.02 0.00 0.00 178.31 176.07 1nya h ASN 97 N 0.56 0.45 0.31 0.41 4.21 -1.62 -0.53 115.58 119.37 1nya h ASN 97 Ca 0.11 -0.18 -0.02 0.00 1.21 0.00 0.00 56.30 57.42 1nya h ASN 97 Cb 0.55 -0.13 0.00 0.00 -1.12 0.00 0.00 38.32 37.62 1nya h ASN 97 CO 0.03 0.78 -0.15 -0.09 -1.29 0.00 0.00 177.43 176.71 1nya h ARG 98 N 0.37 -0.40 -0.20 0.81 2.43 -1.20 1.22 114.38 117.40 1nya h ARG 98 Ca 0.04 0.03 -0.13 0.00 -0.81 0.00 0.00 59.98 59.11 1nya h ARG 98 Cb 0.81 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.44 1nya h ARG 98 CO 0.07 -0.27 -0.43 0.28 -1.51 0.00 0.00 179.97 178.11 1nya h VAL 99 N -0.46 1.31 0.00 0.20 2.07 -1.62 -3.23 116.25 114.52 1nya h VAL 99 Ca -0.04 -1.60 -0.17 0.00 0.82 0.00 0.00 66.70 65.70 1nya h VAL 99 Cb 0.32 1.62 -0.03 0.00 -1.52 0.00 0.00 31.29 31.68 1nya h VAL 99 CO 0.07 0.50 -1.36 0.25 0.02 0.00 0.00 177.57 177.05 1nya h LEU 100 N 0.40 0.00 -0.61 2.57 5.85 -1.18 -3.40 115.31 118.94 1nya h LEU 100 Ca 0.03 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.81 1nya h LEU 100 Cb 0.92 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.87 1nya h LEU 100 CO 0.08 0.61 -0.36 0.61 -0.34 0.00 0.00 178.44 179.04 1nya n GLY 101 N 1.39 -2.59 0.00 3.75 0.00 0.42 0.13 105.19 108.29 1nya n GLY 101 Ca -0.09 0.91 0.03 0.00 0.00 0.00 0.00 46.02 46.87 1nya n GLY 101 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1nya n PRO 102 N -4.39 0.01 -0.06 1.61 -0.04 -1.26 -2.43 135.00 128.44 1nya n PRO 102 Ca 0.01 0.38 -0.07 0.00 -0.04 0.00 0.00 63.50 63.78 1nya n PRO 102 Cb 0.16 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.05 1nya n PRO 102 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1nya h VAL 103 N 0.00 0.91 -0.10 0.52 2.07 0.84 -3.14 116.25 117.36 1nya h VAL 103 Ca 0.00 -1.69 -0.08 0.00 0.82 0.00 0.00 66.70 65.75 1nya h VAL 103 Cb 0.09 1.73 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 1nya h VAL 103 CO 0.00 0.31 -0.30 0.58 0.02 0.00 0.00 177.57 178.18 1nya h VAL 104 N -1.00 1.25 -0.34 2.57 2.07 -1.29 -2.79 116.25 116.72 1nya h VAL 104 Ca -0.00 -1.18 0.02 0.00 0.82 0.00 0.00 66.70 66.35 1nya h VAL 104 Cb 0.51 1.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 1nya h VAL 104 CO -0.00 0.35 0.19 0.11 0.02 0.00 0.00 177.57 178.24 1nya h LYS 105 N 0.16 0.37 -0.96 1.57 1.57 -1.61 -1.48 116.57 116.19 1nya h LYS 105 Ca 0.02 -0.02 0.17 0.00 -1.87 0.00 0.00 60.65 58.95 1nya h LYS 105 Cb 0.61 -0.08 -0.10 0.00 0.08 0.00 0.00 32.23 32.74 1nya h LYS 105 CO 0.04 0.25 0.56 0.78 -0.57 0.00 0.00 179.45 180.51 1nya h GLY 106 N 0.38 1.64 1.20 3.86 0.00 -1.44 0.23 103.07 108.95 1nya h GLY 106 Ca 0.14 -0.33 -0.19 0.00 0.00 0.00 0.00 47.33 46.94 1nya h GLY 106 CO -0.08 -0.03 -0.61 -2.22 0.00 0.00 0.00 176.54 173.60 1nya h ILE 107 N 0.74 1.28 -0.48 2.60 2.04 -1.45 -3.12 117.51 119.13 1nya h ILE 107 Ca 0.53 -1.81 -0.06 0.00 1.00 0.00 0.00 64.86 64.53 1nya h ILE 107 Cb 0.77 1.74 -0.02 0.00 -0.74 0.00 0.00 36.82 38.57 1nya h ILE 107 CO -0.37 0.58 0.05 0.58 0.00 0.00 0.00 178.15 178.99 1nya h VAL 108 N 0.61 1.23 -0.64 1.67 2.07 -0.10 -2.12 116.25 118.97 1nya h VAL 108 Ca -0.00 -0.90 -0.05 0.00 0.82 0.00 0.00 66.70 66.57 1nya h VAL 108 Cb 1.22 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 31.78 1nya h VAL 108 CO 0.13 0.32 0.21 1.23 0.02 0.00 0.00 177.57 179.48 1nya h GLY 109 N 0.95 1.02 2.00 2.17 0.00 -0.56 1.11 103.07 109.76 1nya h GLY 109 Ca 0.15 -0.56 -0.10 0.00 0.00 0.00 0.00 47.33 46.82 1nya h GLY 109 CO 0.01 0.53 -0.46 -0.33 0.00 0.00 0.00 176.54 176.29 1nya h MET 110 N 0.93 0.00 0.00 4.80 2.07 -1.45 -3.30 114.93 117.97 1nya h MET 110 Ca 0.21 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.84 1nya h MET 110 Cb 0.24 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.97 1nya h MET 110 CO -0.01 0.46 -1.65 0.00 1.07 0.00 0.00 176.91 176.78 1nya s ASP 112 N -4.29 5.37 0.21 0.00 1.01 0.38 -4.79 116.67 114.56 1nya s ASP 112 Ca -0.04 0.83 0.23 0.00 0.71 0.00 0.00 52.55 54.28 1nya s ASP 112 Cb 0.14 -2.52 0.21 0.00 1.01 0.00 0.00 42.92 41.76 1nya s ASP 112 CO 0.88 -2.21 1.26 0.11 0.21 0.00 0.00 175.17 175.43 1nya h LYS 113 N 14.91 0.00 -0.06 8.23 1.79 -1.90 -3.31 116.57 136.22 1nya h LYS 113 Ca -0.29 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.18 1nya h LYS 113 Cb 1.18 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.83 1nya h LYS 113 CO 1.14 0.00 0.00 0.27 -1.08 0.00 0.00 179.45 179.78 1nya n ASN 114 N -2.52 2.08 -3.91 0.86 0.23 -1.26 -5.03 115.26 105.72 1nya n ASN 114 Ca 0.02 -1.54 -0.35 0.00 -0.53 0.00 0.00 54.58 52.17 1nya n ASN 114 Cb 0.50 -0.03 0.01 0.00 -2.08 0.00 0.00 39.78 38.18 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 0.61 -2.69 -0.02 -2.53 0.00 -1.25 -4.89 120.51 109.75 1nya n ALA 115 Ca 0.07 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.09 1nya n ALA 115 Cb 0.30 -1.90 0.00 0.00 0.00 0.00 0.00 19.45 17.85 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 -2.37 0.16 0.00 0.00 5.68 -1.26 -5.01 116.55 113.75 1nya n ASP 116 Ca -0.19 -0.55 0.00 0.00 -0.50 0.00 0.00 54.79 53.54 1nya n ASP 116 Cb 0.62 0.75 0.00 0.00 -1.14 0.00 0.00 41.12 41.35 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 0.75 0.75 3.45 6.12 0.00 -1.26 -5.03 105.19 109.97 1nya n GLY 117 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.16 1.60 -0.46 1.61 -0.21 -1.26 -4.61 119.66 116.16 1nya s GLN 118 Ca 0.00 -1.78 -0.10 0.00 0.02 0.00 0.00 55.36 53.50 1nya s GLN 118 Cb 0.00 -1.42 0.10 0.00 1.00 0.00 0.00 33.01 32.69 1nya s GLN 118 CO 0.00 0.16 0.33 0.42 -2.12 0.00 0.00 175.29 174.08 1nya s ILE 119 N -2.79 4.36 0.59 1.08 -1.09 0.24 -4.94 121.20 118.64 1nya s ILE 119 Ca 0.29 -1.57 -0.08 0.00 -2.23 0.00 0.00 60.65 57.06 1nya s ILE 119 Cb 0.00 -3.77 -0.01 0.00 -1.58 0.00 0.00 42.46 37.10 1nya s ILE 119 CO 0.13 -0.67 0.93 0.20 -1.23 0.00 0.00 174.94 174.30 1nya s ASN 120 N 2.54 5.89 0.32 3.58 -0.87 -1.26 0.14 114.94 125.28 1nya s ASN 120 Ca 0.04 1.00 0.06 0.00 -1.57 0.00 0.00 52.86 52.40 1nya s ASN 120 Cb -0.25 -2.06 0.74 0.00 -0.02 0.00 0.00 41.25 39.65 1nya s ASN 120 CO 0.01 -0.93 1.83 0.00 -2.57 0.00 0.00 177.10 175.44 1nya h ALA 121 N -0.18 1.73 0.00 0.60 0.00 -1.99 0.68 119.26 120.10 1nya h ALA 121 Ca -0.45 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.43 1nya h ALA 121 Cb 1.23 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1nya h ALA 121 CO 0.62 -0.01 -0.28 -0.44 0.00 0.00 0.00 179.25 179.14 1nya h ASP 122 N 0.78 0.00 0.07 0.00 3.32 -1.95 -1.91 116.42 116.75 1nya h ASP 122 Ca 0.50 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.40 1nya h ASP 122 Cb 0.73 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.28 1nya h ASP 122 CO -0.26 0.28 -0.73 -0.33 -1.72 0.00 0.00 179.24 176.48 1nya h GLU 123 N 0.00 0.15 -0.44 3.56 5.08 -0.45 -3.16 114.58 119.33 1nya h GLU 123 Ca -0.00 -0.26 0.05 0.00 -1.00 0.00 0.00 59.36 58.15 1nya h GLU 123 Cb 0.73 0.10 -0.04 0.00 0.50 0.00 0.00 28.75 30.03 1nya h GLU 123 CO 0.04 1.12 0.19 0.35 -1.00 0.00 0.00 179.01 179.71 1nya h PHE 124 N -0.65 0.34 -0.49 4.33 3.57 0.14 -2.51 116.94 121.67 1nya h PHE 124 Ca -0.16 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.38 1nya h PHE 124 Cb 1.41 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 40.03 1nya h PHE 124 CO 0.20 0.15 0.31 0.00 -2.23 0.00 0.00 178.31 176.74 1nya h ALA 125 N 1.26 0.63 -0.60 2.41 0.00 -1.49 0.47 119.26 121.94 1nya h ALA 125 Ca 0.20 -0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.22 1nya h ALA 125 Cb 0.15 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1nya h ALA 125 CO -0.17 0.02 0.41 0.00 0.00 0.00 0.00 179.25 179.51 1nya h ALA 126 N 1.21 2.22 0.14 0.00 0.00 -1.41 -1.22 119.26 120.19 1nya h ALA 126 Ca 0.19 -0.01 -0.34 0.00 0.00 0.00 0.00 54.91 54.76 1nya h ALA 126 Cb -0.02 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1nya h ALA 126 CO -0.07 -0.37 -1.76 2.35 0.00 0.00 0.00 179.25 179.39 1nya h TRP 127 N 0.25 0.53 -0.80 0.00 7.01 -1.14 -3.19 115.95 118.61 1nya h TRP 127 Ca 0.28 -0.39 0.07 0.00 2.11 0.00 0.00 58.89 60.97 1nya h TRP 127 Cb 0.78 -0.02 -0.06 0.00 -2.10 0.00 0.00 29.16 27.75 1nya h TRP 127 CO -0.00 1.69 0.48 -0.07 -2.79 0.00 0.00 178.44 177.75 1nya h LEU 128 N -0.05 0.73 -1.22 0.65 3.38 -0.51 0.92 115.31 119.22 1nya h LEU 128 Ca -0.37 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.57 1nya h LEU 128 Cb 1.96 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 42.58 1nya h LEU 128 CO 0.10 0.46 -0.27 0.71 0.09 0.00 0.00 178.44 179.53 1nya h THR 129 N 0.86 0.72 -0.49 0.22 1.35 -1.38 -2.13 112.91 112.07 1nya h THR 129 Ca 0.36 -1.16 -0.10 0.00 -0.55 0.00 0.00 66.41 64.96 1nya h THR 129 Cb 0.22 1.73 -0.02 0.00 -1.73 0.00 0.00 68.15 68.35 1nya h THR 129 CO -0.19 0.26 -0.10 0.00 -0.25 0.00 0.00 175.52 175.24 1nya h ALA 130 N 1.73 0.91 -0.04 6.62 0.00 -0.81 -2.82 119.26 124.84 1nya h ALA 130 Ca -0.00 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1nya h ALA 130 Cb 0.71 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1nya h ALA 130 CO 0.03 0.63 0.00 1.28 0.00 0.00 0.00 179.25 181.20 1nya n LEU 131 N -4.16 0.30 0.00 0.00 4.77 -0.92 -4.83 117.00 112.16 1nya n LEU 131 Ca 0.02 -0.14 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 1nya n LEU 131 Cb 0.38 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 1nya n LEU 131 CO 0.44 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 1nya n GLY 132 N 0.75 1.27 3.95 -0.72 0.00 -1.07 -4.82 105.19 104.56 1nya n GLY 132 Ca 0.10 -0.01 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.31 3.45 0.75 1.61 -1.94 -0.82 -5.02 119.30 117.03 1nya s MET 133 Ca 0.00 -0.61 -0.10 0.00 -1.71 0.00 0.00 55.69 53.27 1nya s MET 133 Cb 0.00 -2.94 0.06 0.00 2.01 0.00 0.00 34.83 33.97 1nya s MET 133 CO 0.00 0.49 1.10 -1.12 -0.01 0.00 0.00 175.02 175.48 1nya s SER 134 N -3.40 4.76 0.47 3.03 0.01 -1.26 -4.09 113.70 113.22 1nya s SER 134 Ca 0.35 0.70 0.31 0.00 1.31 0.00 0.00 55.95 58.62 1nya s SER 134 Cb -0.11 -1.30 1.28 0.00 0.21 0.00 0.00 66.02 66.10 1nya s SER 134 CO 0.29 -1.70 1.92 0.11 0.41 0.00 0.00 173.24 174.27 1nya h LYS 135 N -0.81 0.00 0.00 12.44 1.79 -1.97 -2.66 116.57 125.35 1nya h LYS 135 Ca -0.45 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 57.88 1nya h LYS 135 Cb 1.31 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.94 1nya h LYS 135 CO 0.64 0.00 -1.25 0.00 -1.08 0.00 0.00 179.45 177.75 1nya h ALA 136 N 2.07 0.63 -0.38 3.86 0.00 -2.02 -3.36 119.26 120.07 1nya h ALA 136 Ca 0.00 -0.66 -0.14 0.00 0.00 0.00 0.00 54.91 54.11 1nya h ALA 136 Cb 0.47 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1nya h ALA 136 CO 0.00 0.73 -0.30 0.93 0.00 0.00 0.00 179.25 180.61 1nya h GLU 137 N 0.00 0.88 0.87 0.00 5.08 -1.85 -3.01 114.58 116.54 1nya h GLU 137 Ca -0.12 -0.43 -0.04 0.00 -1.00 0.00 0.00 59.36 57.76 1nya h GLU 137 Cb 1.47 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.72 1nya h GLU 137 CO 0.04 1.08 -0.42 0.00 -1.00 0.00 0.00 179.01 178.71 1nya h ALA 138 N 0.78 -1.26 -0.87 3.43 0.00 -1.70 0.33 119.26 119.96 1nya h ALA 138 Ca 0.07 -0.26 0.23 0.00 0.00 0.00 0.00 54.91 54.96 1nya h ALA 138 Cb 0.88 0.45 -0.15 0.00 0.00 0.00 0.00 17.79 18.97 1nya h ALA 138 CO 0.08 -1.18 0.18 0.00 0.00 0.00 0.00 179.25 178.33 1nya h ALA 139 N -1.42 1.20 -0.03 0.00 0.00 -1.71 1.25 119.26 118.55 1nya h ALA 139 Ca -0.12 0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1nya h ALA 139 Cb 0.89 0.37 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 1nya h ALA 139 CO 0.20 -0.48 -0.03 1.49 0.00 0.00 0.00 179.25 180.43 1nya h GLU 140 N 0.16 0.07 -0.87 0.00 4.22 -1.40 -3.14 114.58 113.62 1nya h GLU 140 Ca 0.54 -0.04 -0.03 0.00 0.08 0.00 0.00 59.36 59.92 1nya h GLU 140 Cb 1.08 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.29 1nya h GLU 140 CO -0.69 0.53 0.44 0.00 -2.18 0.00 0.00 179.01 177.11 1nya h ALA 141 N 0.54 1.12 -0.06 2.92 0.00 0.16 -2.88 119.26 121.06 1nya h ALA 141 Ca 0.00 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.79 1nya h ALA 141 Cb 0.51 -0.35 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 1nya h ALA 141 CO 0.01 0.66 -0.50 0.35 0.00 0.00 0.00 179.25 179.77 1nya h PHE 142 N 1.23 -1.45 -0.89 0.00 3.04 0.14 -1.30 116.94 117.72 1nya h PHE 142 Ca 0.30 0.05 0.10 0.00 3.98 0.00 0.00 57.97 62.40 1nya h PHE 142 Cb 0.08 0.64 -0.06 0.00 2.56 0.00 0.00 35.95 39.17 1nya h PHE 142 CO 0.01 -0.54 0.58 -0.91 -2.02 0.00 0.00 178.31 175.43 1nya h ASN 143 N -0.60 0.79 -0.33 0.41 -0.26 -1.48 0.20 115.58 114.31 1nya h ASN 143 Ca 0.04 0.02 -0.04 0.00 -0.56 0.00 0.00 56.30 55.76 1nya h ASN 143 Cb 0.69 -0.14 -0.02 0.00 -1.06 0.00 0.00 38.32 37.78 1nya h ASN 143 CO -0.38 0.46 0.08 1.56 -1.06 0.00 0.00 177.43 178.09 1nya h GLN 144 N 0.88 0.62 0.18 0.81 4.20 -1.09 -3.12 115.11 117.58 1nya h GLN 144 Ca 0.41 -0.12 -0.33 0.00 0.06 0.00 0.00 58.65 58.68 1nya h GLN 144 Cb 0.42 -0.10 0.01 0.00 0.30 0.00 0.00 27.48 28.11 1nya h GLN 144 CO -0.18 0.59 -1.61 0.28 -0.67 0.00 0.00 178.83 177.25 1nya h VAL 145 N 0.60 1.10 -0.07 -0.54 2.07 -0.17 -3.42 116.25 115.82 1nya h VAL 145 Ca 0.14 -2.67 -0.10 0.00 0.82 0.00 0.00 66.70 64.89 1nya h VAL 145 Cb 0.27 2.83 0.03 0.00 -1.52 0.00 0.00 31.29 32.89 1nya h VAL 145 CO 0.00 0.84 0.23 -0.67 0.02 0.00 0.00 177.57 177.99 1nya n ASP 146 N -3.57 1.25 0.11 0.57 -0.08 -0.05 -4.70 116.55 110.08 1nya n ASP 146 Ca -0.20 -2.49 0.15 0.00 -1.51 0.00 0.00 54.79 50.75 1nya n ASP 146 Cb 1.07 -1.53 0.68 0.00 2.34 0.00 0.00 41.12 43.68 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 6.41 0.83 -0.55 5.18 2.02 -1.83 -1.16 112.91 123.81 1nya h THR 147 Ca 0.04 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.22 1nya h THR 147 Cb 0.95 0.84 0.00 0.00 -1.74 0.00 0.00 68.15 68.20 1nya h THR 147 CO 1.18 0.00 0.00 -0.46 0.37 0.00 0.00 175.52 176.61 1nya n ASN 148 N -4.42 3.58 -3.30 4.18 0.23 -1.26 -4.96 115.26 109.31 1nya n ASN 148 Ca 0.04 -1.98 -0.20 0.00 -0.53 0.00 0.00 54.58 51.92 1nya n ASN 148 Cb 0.39 -0.36 -0.04 0.00 -2.08 0.00 0.00 39.78 37.69 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 1.37 -0.41 0.30 4.83 0.00 -0.44 -4.75 105.19 106.09 1nya n GLY 149 Ca 0.20 0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.38 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 -1.76 1.20 0.00 1.61 6.94 -1.26 -4.94 115.26 117.05 1nya n ASN 150 Ca 0.05 -1.02 0.00 0.00 -0.02 0.00 0.00 54.58 53.59 1nya n ASN 150 Cb 0.43 0.17 0.00 0.00 -2.36 0.00 0.00 39.78 38.02 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 1.34 0.75 2.94 4.83 0.00 -1.26 -5.04 105.19 108.74 1nya n GLY 151 Ca 0.12 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.60 0.67 -0.38 1.61 2.02 -1.26 -4.16 118.70 116.60 1nya s GLU 152 Ca 0.00 -0.17 -0.19 0.00 0.02 0.00 0.00 54.97 54.63 1nya s GLU 152 Cb 0.00 -0.67 0.01 0.00 0.10 0.00 0.00 34.13 33.57 1nya s GLU 152 CO 0.00 0.04 0.54 -0.51 0.02 0.00 0.00 175.26 175.35 1nya s LEU 153 N 0.36 4.44 0.37 1.80 1.43 0.37 -4.90 118.68 122.55 1nya s LEU 153 Ca -0.04 -0.17 -0.05 0.00 -1.03 0.00 0.00 54.13 52.84 1nya s LEU 153 Cb -0.08 -2.61 -0.05 0.00 0.03 0.00 0.00 46.19 43.48 1nya s LEU 153 CO -0.00 -0.57 0.65 -0.44 0.23 0.00 0.00 176.35 176.21 1nya s SER 154 N 1.83 6.38 0.28 2.29 0.01 -1.26 0.79 113.70 124.01 1nya s SER 154 Ca 0.19 0.79 0.01 0.00 1.31 0.00 0.00 55.95 58.25 1nya s SER 154 Cb -0.15 -2.18 0.63 0.00 0.21 0.00 0.00 66.02 64.53 1nya s SER 154 CO 0.15 -0.35 1.72 -0.07 0.41 0.00 0.00 173.24 175.10 1nya h LEU 155 N 1.05 0.37 0.06 2.44 3.38 -1.97 -1.21 115.31 119.44 1nya h LEU 155 Ca -0.48 0.13 0.02 0.00 0.09 0.00 0.00 57.88 57.64 1nya h LEU 155 Cb 1.20 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 42.01 1nya h LEU 155 CO 0.64 0.07 -0.22 0.44 0.09 0.00 0.00 178.44 179.46 1nya h ASP 156 N 0.47 -0.63 0.31 -0.43 3.32 -1.98 -1.61 116.42 115.87 1nya h ASP 156 Ca 0.51 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.64 1nya h ASP 156 Cb 0.88 0.25 0.00 0.00 0.22 0.00 0.00 39.33 40.68 1nya h ASP 156 CO -0.47 -0.30 0.00 -0.33 -1.72 0.00 0.00 179.24 176.43 1nya h GLU 157 N -0.38 0.00 0.01 3.56 5.08 -1.62 -3.03 114.58 118.19 1nya h GLU 157 Ca 0.04 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1nya h GLU 157 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1nya h GLU 157 CO -0.16 0.00 -0.00 -0.07 -1.00 0.00 0.00 179.01 177.78 1nya h LEU 158 N 0.00 -0.01 -0.93 1.33 3.38 -0.61 -3.19 115.31 115.28 1nya h LEU 158 Ca 0.00 0.00 0.20 0.00 0.09 0.00 0.00 57.88 58.17 1nya h LEU 158 Cb 0.16 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 40.73 1nya h LEU 158 CO 0.00 0.01 -0.18 -0.07 0.09 0.00 0.00 178.44 178.29 1nya h LEU 159 N -0.03 -0.78 0.12 1.67 3.38 -1.46 1.14 115.31 119.35 1nya h LEU 159 Ca -0.00 0.27 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1nya h LEU 159 Cb 0.01 0.55 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 1nya h LEU 159 CO 0.00 -0.31 -0.30 0.71 0.09 0.00 0.00 178.44 178.64 1nya h THR 160 N 0.01 0.00 -0.71 0.22 1.35 -1.69 -2.42 112.91 109.67 1nya h THR 160 Ca 0.47 0.00 0.02 0.00 -0.55 0.00 0.00 66.41 66.35 1nya h THR 160 Cb 0.77 0.00 -0.04 0.00 -1.73 0.00 0.00 68.15 67.14 1nya h THR 160 CO -0.94 0.00 0.45 0.00 -0.25 0.00 0.00 175.52 174.78 1nya h ALA 161 N -1.06 0.92 -2.49 6.62 0.00 -1.23 -3.39 119.26 118.63 1nya h ALA 161 Ca -0.01 -0.03 -0.58 0.00 0.00 0.00 0.00 54.91 54.28 1nya h ALA 161 Cb 0.45 -0.25 0.16 0.00 0.00 0.00 0.00 17.79 18.15 1nya h ALA 161 CO -0.13 0.25 -0.16 0.28 0.00 0.00 0.00 179.25 179.50 1nya n VAL 162 N -4.64 2.56 -2.39 0.00 0.31 0.38 -1.33 118.33 113.22 1nya n VAL 162 Ca 0.07 -0.50 -0.04 0.00 -0.01 0.00 0.00 64.34 63.86 1nya n VAL 162 Cb 0.07 -0.87 -0.00 0.00 -0.91 0.00 0.00 33.84 32.12 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 -0.14 -2.63 -3.35 5.55 0.63 -1.26 -4.85 116.66 110.61 1nya n ARG 163 Ca 0.12 0.21 -0.12 0.00 -0.92 0.00 0.00 57.85 57.14 1nya n ARG 163 Cb 0.44 -4.72 -0.08 0.00 0.45 0.00 0.00 32.46 28.56 1nya n ARG 163 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1nya s ASP 164 N -1.97 0.80 -0.01 6.15 2.15 -0.44 -4.75 116.67 118.59 1nya s ASP 164 Ca 0.00 -0.41 0.19 0.00 0.43 0.00 0.00 52.55 52.76 1nya s ASP 164 Cb 0.00 0.90 -0.26 0.00 -0.30 0.00 0.00 42.92 43.26 1nya s ASP 164 CO 0.00 -0.36 0.63 2.22 -0.17 0.00 0.00 175.17 177.50 1nya n PHE 165 N 5.34 0.00 -2.05 -5.34 1.16 -1.26 -4.22 117.46 111.09 1nya n PHE 165 Ca -0.01 0.00 -0.02 0.00 -1.87 0.00 0.00 57.45 55.55 1nya n PHE 165 Cb 0.48 -0.21 0.01 0.00 -1.61 0.00 0.00 39.48 38.15 1nya n PHE 165 CO 0.00 0.00 0.00 1.58 -1.87 0.00 0.00 176.76 176.47 1nya n HIS 166 N -1.80 -0.35 -2.90 2.97 -0.00 -1.26 -3.80 115.22 108.08 1nya n HIS 166 Ca 0.00 0.14 -0.02 0.00 -0.00 0.00 0.00 57.72 57.84 1nya n HIS 166 Cb 0.40 -2.57 -0.01 0.00 -0.00 0.00 0.00 29.99 27.81 1nya n HIS 166 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.34 177.53 1nya n PHE 167 N -1.58 -2.10 -2.58 1.57 3.01 -1.26 -4.58 117.46 109.94 1nya n PHE 167 Ca -0.03 1.11 -0.04 0.00 1.01 0.00 0.00 57.45 59.50 1nya n PHE 167 Cb 0.52 -2.45 0.01 0.00 -0.01 0.00 0.00 39.48 37.55 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 1.66 -2.33 0.00 1.37 0.00 -1.26 -5.04 105.19 99.59 1nya n GLY 168 Ca -0.12 0.77 0.00 0.00 0.00 0.00 0.00 46.02 46.67 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 0.02 -1.55 -3.64 1.61 1.74 -1.25 -5.09 116.66 108.50 1nya n ARG 169 Ca 0.06 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 57.02 1nya n ARG 169 Cb 0.23 0.00 -0.12 0.00 -1.02 0.00 0.00 32.46 31.56 1nya n ARG 169 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1nya s LEU 170 N 0.00 -0.41 -0.03 0.55 2.96 -1.25 -4.68 118.68 115.82 1nya s LEU 170 Ca 0.00 0.66 0.09 0.00 -0.22 0.00 0.00 54.13 54.66 1nya s LEU 170 Cb 0.00 0.89 -0.14 0.00 0.50 0.00 0.00 46.19 47.44 1nya s LEU 170 CO 0.00 -0.24 0.17 -0.67 -1.32 0.00 0.00 176.35 174.29 1nya n ASP 171 N 5.36 2.79 0.00 3.68 -0.08 -1.26 -4.95 116.55 122.09 1nya n ASP 171 Ca -0.07 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.21 1nya n ASP 171 Cb 0.50 1.28 0.00 0.00 2.34 0.00 0.00 41.12 45.24 1nya n ASP 171 CO 0.00 0.00 0.00 0.55 0.12 0.00 0.00 177.20 177.87 1nya n VAL 172 N -1.95 0.00 -1.19 5.18 3.14 -1.26 -3.93 118.33 118.32 1nya n VAL 172 Ca -0.05 0.00 0.12 0.00 -2.96 0.00 0.00 64.34 61.46 1nya n VAL 172 Cb 0.37 0.00 -0.07 0.00 -1.06 0.00 0.00 33.84 33.08 1nya n VAL 172 CO 0.00 0.00 0.00 -1.84 -6.46 0.00 0.00 176.83 168.53 1nya n GLU 173 N -0.44 -2.39 -2.61 1.45 0.28 -1.26 -4.91 120.64 110.76 1nya n GLU 173 Ca 0.00 1.95 -0.01 0.00 -0.16 0.00 0.00 57.16 58.95 1nya n GLU 173 Cb 0.00 -2.94 0.07 0.00 1.43 0.00 0.00 31.44 30.00 1nya n GLU 173 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 1nya n LEU 174 N -3.97 0.28 0.04 -1.84 7.94 -1.26 -4.83 117.00 113.37 1nya n LEU 174 Ca -0.07 -2.99 0.00 0.00 -1.11 0.00 0.00 56.01 51.85 1nya n LEU 174 Cb 0.50 0.28 0.00 0.00 0.53 0.00 0.00 43.42 44.73 1nya n LEU 174 CO 0.03 1.28 -0.10 0.18 -1.11 0.00 0.00 177.39 177.67 1nya n LEU 175 N -0.87 0.86 0.00 -1.96 4.77 -1.26 -5.02 117.00 113.52 1nya n LEU 175 Ca -0.04 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 1nya n LEU 175 Cb 0.85 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.69 1nya n LEU 175 CO -0.03 -0.61 0.00 0.61 -1.33 0.00 0.00 177.39 176.02