#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 0.01 -0.98 4.28 -1.04 -1.26 -5.10 114.28 110.20 1nya n THR 2 Ca 0.00 0.00 0.13 0.00 -2.04 0.00 0.00 64.05 62.14 1nya n THR 2 Cb 0.00 -0.17 -0.04 0.00 -1.82 0.00 0.00 70.33 68.30 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 -2.79 -2.53 0.16 2.41 0.00 -1.26 -3.31 120.51 113.20 1nya n ALA 3 Ca 0.00 0.40 0.05 0.00 0.00 0.00 0.00 53.44 53.89 1nya n ALA 3 Cb 0.00 -0.93 0.11 0.00 0.00 0.00 0.00 19.45 18.63 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 -0.92 0.69 -0.34 0.00 5.03 -2.01 -3.31 117.51 116.64 1nya h ILE 4 Ca -0.02 -1.88 -0.03 0.00 -0.12 0.00 0.00 64.86 62.81 1nya h ILE 4 Cb 0.90 2.27 -0.01 0.00 -3.03 0.00 0.00 36.82 36.95 1nya h ILE 4 CO 0.02 0.38 0.10 0.00 -0.68 0.00 0.00 178.15 177.97 1nya h ALA 5 N 1.61 0.45 0.67 1.87 0.00 -1.89 -2.78 119.26 119.20 1nya h ALA 5 Ca -0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1nya h ALA 5 Cb 1.24 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 1nya h ALA 5 CO 0.05 0.09 -0.41 1.03 0.00 0.00 0.00 179.25 180.02 1nya h SER 6 N 0.40 -1.02 -0.58 0.00 0.87 -1.64 -0.22 113.55 111.36 1nya h SER 6 Ca 0.11 0.06 0.11 0.00 -1.23 0.00 0.00 61.79 60.84 1nya h SER 6 Cb 0.26 0.30 -0.11 0.00 -0.44 0.00 0.00 62.40 62.40 1nya h SER 6 CO -0.00 -0.63 -0.27 0.44 -0.53 0.00 0.00 176.83 175.84 1nya h ASP 7 N -1.01 -0.93 -0.47 6.23 5.19 -1.68 1.30 116.42 125.05 1nya h ASP 7 Ca -0.08 0.21 -0.01 0.00 -0.62 0.00 0.00 57.03 56.52 1nya h ASP 7 Cb 0.82 0.50 -0.02 0.00 0.18 0.00 0.00 39.33 40.80 1nya h ASP 7 CO 0.09 -0.27 0.24 -0.09 -3.12 0.00 0.00 179.24 176.08 1nya h ARG 8 N -0.12 0.67 -0.05 3.56 9.65 -1.37 -2.07 114.38 124.66 1nya h ARG 8 Ca 0.25 -0.09 -0.22 0.00 -1.10 0.00 0.00 59.98 58.82 1nya h ARG 8 Cb 0.52 -0.12 0.01 0.00 -1.39 0.00 0.00 29.97 28.98 1nya h ARG 8 CO -0.65 0.56 -0.88 -0.07 2.80 0.00 0.00 179.97 181.73 1nya h LEU 9 N 0.62 0.66 0.69 3.80 3.38 0.10 -2.78 115.31 121.77 1nya h LEU 9 Ca 0.16 -0.49 -0.03 0.00 0.09 0.00 0.00 57.88 57.61 1nya h LEU 9 Cb 0.10 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 40.65 1nya h LEU 9 CO -0.02 1.27 -0.33 0.50 0.09 0.00 0.00 178.44 179.95 1nya h LYS 10 N 0.33 -0.89 -0.81 1.13 3.11 0.17 -3.01 116.57 116.60 1nya h LYS 10 Ca -0.07 0.06 0.16 0.00 -2.81 0.00 0.00 60.65 57.99 1nya h LYS 10 Cb 1.50 0.20 -0.10 0.00 -1.00 0.00 0.00 32.23 32.83 1nya h LYS 10 CO 0.16 -0.59 0.36 0.87 -2.81 0.00 0.00 179.45 177.44 1nya h LYS 11 N -0.95 0.48 -1.11 1.90 1.57 -1.50 0.42 116.57 117.37 1nya h LYS 11 Ca -0.09 -0.03 0.33 0.00 -1.87 0.00 0.00 60.65 58.99 1nya h LYS 11 Cb 0.71 -0.11 -0.12 0.00 0.08 0.00 0.00 32.23 32.79 1nya h LYS 11 CO 0.16 0.32 0.70 0.00 -0.57 0.00 0.00 179.45 180.05 1nya h ARG 12 N 0.49 0.28 0.17 3.15 2.47 -1.37 0.96 114.38 120.54 1nya h ARG 12 Ca 0.46 -0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 59.15 1nya h ARG 12 Cb 0.72 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.98 1nya h ARG 12 CO -0.42 0.19 -0.08 0.35 0.56 0.00 0.00 179.97 180.57 1nya h PHE 13 N 0.29 -0.21 0.00 3.04 3.57 -0.79 -3.24 116.94 119.60 1nya h PHE 13 Ca 0.70 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 62.19 1nya h PHE 13 Cb 1.86 0.07 0.00 0.00 2.79 0.00 0.00 35.95 40.67 1nya h PHE 13 CO -0.01 0.21 0.00 0.22 -2.23 0.00 0.00 178.31 176.50 1nya h ASP 14 N -0.88 0.00 1.37 0.41 3.58 -1.08 -2.63 116.42 117.19 1nya h ASP 14 Ca -0.02 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.43 1nya h ASP 14 Cb 0.52 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.57 1nya h ASP 14 CO 0.04 0.00 0.00 -0.09 -2.88 0.00 0.00 179.24 176.31 1nya h ARG 15 N 0.00 0.00 0.00 0.28 2.43 0.88 -3.41 114.38 114.56 1nya h ARG 15 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1nya h ARG 15 Cb 0.38 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 1nya h ARG 15 CO 0.00 0.00 0.00 0.91 -1.51 0.00 0.00 179.97 179.37 1nya n TRP 16 N -3.00 0.00 -3.52 2.20 8.01 -0.99 -5.03 117.44 115.10 1nya n TRP 16 Ca 0.02 0.00 -0.40 0.00 -1.31 0.00 0.00 57.50 55.82 1nya n TRP 16 Cb 0.39 0.00 0.04 0.00 -2.01 0.00 0.00 31.31 29.72 1nya n TRP 16 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.69 173.21 1nya n ASP 17 N 0.00 -5.43 0.05 -0.99 -0.08 -1.22 -4.86 116.55 104.02 1nya n ASP 17 Ca 0.00 -0.19 -0.11 0.00 -1.51 0.00 0.00 54.79 52.98 1nya n ASP 17 Cb 0.00 -1.59 -0.05 0.00 2.34 0.00 0.00 41.12 41.83 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 2.03 -0.39 0.00 -0.67 -1.00 -1.92 -3.14 116.94 111.85 1nya h PHE 18 Ca -0.58 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.21 1nya h PHE 18 Cb 1.42 0.18 0.00 0.00 3.61 0.00 0.00 35.95 41.15 1nya h PHE 18 CO 0.01 -0.22 -1.30 -0.40 -1.61 0.00 0.00 178.31 174.78 1nya n ASP 19 N -5.28 0.61 -1.21 2.17 5.75 -1.26 -5.00 116.55 112.32 1nya n ASP 19 Ca -0.05 -0.53 -0.04 0.00 -0.01 0.00 0.00 54.79 54.16 1nya n ASP 19 Cb 0.20 1.26 0.02 0.00 -1.03 0.00 0.00 41.12 41.56 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 0.55 0.05 6.12 0.00 -1.19 -4.96 105.19 107.17 1nya n GLY 20 Ca 0.01 -0.46 0.12 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.02 0.71 0.00 1.61 0.23 -1.26 -4.94 115.26 111.59 1nya n ASN 21 Ca -0.02 -0.51 0.00 0.00 -0.53 0.00 0.00 54.58 53.52 1nya n ASN 21 Cb 0.52 0.36 0.00 0.00 -2.08 0.00 0.00 39.78 38.58 1nya n ASN 21 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1nya n GLY 22 N 1.47 0.45 3.27 4.83 0.00 -1.26 -5.01 105.19 108.95 1nya n GLY 22 Ca 0.06 -0.71 -0.11 0.00 0.00 0.00 0.00 46.02 45.26 1nya n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nya n ALA 23 N 0.83 -0.89 -3.87 4.61 0.00 -1.26 -4.52 120.51 115.41 1nya n ALA 23 Ca 0.00 -1.36 -0.32 0.00 0.00 0.00 0.00 53.44 51.76 1nya n ALA 23 Cb 0.00 1.09 -0.16 0.00 0.00 0.00 0.00 19.45 20.38 1nya n ALA 23 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1nya s LEU 24 N 0.00 2.00 0.44 0.00 1.43 0.58 -4.90 118.68 118.22 1nya s LEU 24 Ca 0.22 -0.58 0.06 0.00 -1.03 0.00 0.00 54.13 52.80 1nya s LEU 24 Cb -0.02 -1.37 -0.05 0.00 0.03 0.00 0.00 46.19 44.77 1nya s LEU 24 CO 0.16 0.02 0.07 -1.61 0.23 0.00 0.00 176.35 175.23 1nya s GLU 25 N 1.10 2.09 0.42 1.70 2.02 -1.26 -2.39 118.70 122.38 1nya s GLU 25 Ca -0.01 -2.09 0.13 0.00 0.02 0.00 0.00 54.97 53.01 1nya s GLU 25 Cb -0.14 -1.73 0.91 0.00 0.10 0.00 0.00 34.13 33.26 1nya s GLU 25 CO -0.07 -0.16 1.95 -0.09 0.02 0.00 0.00 175.26 176.91 1nya h ARG 26 N 1.54 0.06 0.00 1.61 2.43 -1.86 -1.67 114.38 116.49 1nya h ARG 26 Ca -0.43 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 1nya h ARG 26 Cb 1.26 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 1nya h ARG 26 CO 0.76 0.26 0.00 0.00 -1.51 0.00 0.00 179.97 179.47 1nya h ALA 27 N 1.75 1.00 -0.01 2.80 0.00 -1.96 -2.91 119.26 119.92 1nya h ALA 27 Ca 0.01 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 1nya h ALA 27 Cb 0.38 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1nya h ALA 27 CO 0.03 0.00 -0.69 -0.44 0.00 0.00 0.00 179.25 178.14 1nya h ASP 28 N 0.00 0.09 0.25 0.00 3.32 -1.70 -2.80 116.42 115.59 1nya h ASP 28 Ca 0.00 -0.06 -0.24 0.00 0.02 0.00 0.00 57.03 56.74 1nya h ASP 28 Cb 0.64 -0.03 0.01 0.00 0.22 0.00 0.00 39.33 40.17 1nya h ASP 28 CO 0.00 0.76 -1.01 -0.26 -1.72 0.00 0.00 179.24 177.01 1nya h PHE 29 N 0.05 0.74 -0.37 4.55 0.04 -1.54 -3.08 116.94 117.33 1nya h PHE 29 Ca -0.01 -0.42 -0.07 0.00 2.80 0.00 0.00 57.97 60.27 1nya h PHE 29 Cb 1.23 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 39.28 1nya h PHE 29 CO 0.01 1.25 -0.06 0.93 -0.60 0.00 0.00 178.31 179.83 1nya h GLU 30 N 0.27 0.62 -0.69 1.51 5.08 -1.52 -2.60 114.58 117.25 1nya h GLU 30 Ca -0.10 -0.17 -0.07 0.00 -1.00 0.00 0.00 59.36 58.02 1nya h GLU 30 Cb 1.66 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.81 1nya h GLU 30 CO 0.18 0.69 0.15 0.87 -1.00 0.00 0.00 179.01 179.90 1nya h LYS 31 N 0.58 1.11 0.00 2.33 1.57 -1.51 -1.93 116.57 118.72 1nya h LYS 31 Ca 0.11 -0.28 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1nya h LYS 31 Cb 0.46 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.63 1nya h LYS 31 CO 0.02 0.99 0.17 1.49 -0.57 0.00 0.00 179.45 181.55 1nya h GLU 32 N 1.04 0.00 0.00 3.15 4.81 -1.37 0.24 114.58 122.45 1nya h GLU 32 Ca 0.21 0.00 -0.25 0.00 -0.13 0.00 0.00 59.36 59.19 1nya h GLU 32 Cb 0.39 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.73 1nya h GLU 32 CO 0.00 0.00 -1.39 0.00 -0.73 0.00 0.00 179.01 176.89 1nya n ALA 33 N -1.89 0.82 0.11 2.92 0.00 -0.75 -3.89 120.51 117.83 1nya n ALA 33 Ca -0.02 -0.57 -0.13 0.00 0.00 0.00 0.00 53.44 52.72 1nya n ALA 33 Cb 0.21 -0.44 -0.08 0.00 0.00 0.00 0.00 19.45 19.15 1nya n ALA 33 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1nya h GLN 34 N -1.00 -0.19 -0.31 0.00 4.20 -1.11 0.11 115.11 116.80 1nya h GLN 34 Ca -0.38 0.01 0.09 0.00 0.06 0.00 0.00 58.65 58.44 1nya h GLN 34 Cb 1.31 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 29.12 1nya h GLN 34 CO -0.23 -0.08 0.36 1.25 -0.67 0.00 0.00 178.83 179.46 1nya h HIS 35 N -0.26 0.00 0.00 2.96 2.76 -1.19 -2.03 115.15 117.40 1nya h HIS 35 Ca -0.02 0.00 -0.12 0.00 -2.20 0.00 0.00 60.37 58.03 1nya h HIS 35 Cb 0.20 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.14 1nya h HIS 35 CO -0.05 0.00 -0.65 0.82 -1.30 0.00 0.00 177.93 176.75 1nya h ILE 36 N 0.00 1.27 -0.75 6.26 1.08 -1.49 -3.30 117.51 120.58 1nya h ILE 36 Ca 0.15 -2.20 0.16 0.00 -0.39 0.00 0.00 64.86 62.57 1nya h ILE 36 Cb 0.88 2.65 -0.14 0.00 -3.07 0.00 0.00 36.82 37.14 1nya h ILE 36 CO -0.00 0.43 -0.12 0.00 -0.69 0.00 0.00 178.15 177.77 1nya h ALA 37 N -0.29 0.60 -0.52 1.87 0.00 -0.27 1.15 119.26 121.80 1nya h ALA 37 Ca -0.18 0.28 0.04 0.00 0.00 0.00 0.00 54.91 55.04 1nya h ALA 37 Cb 1.12 0.52 -0.03 0.00 0.00 0.00 0.00 17.79 19.40 1nya h ALA 37 CO -0.11 -0.42 0.34 0.93 0.00 0.00 0.00 179.25 180.00 1nya h GLU 38 N 0.03 0.55 -0.14 0.00 4.39 -1.62 0.29 114.58 118.08 1nya h GLU 38 Ca 0.38 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 60.04 1nya h GLU 38 Cb 0.62 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.14 1nya h GLU 38 CO -0.74 0.37 0.07 0.00 -1.16 0.00 0.00 179.01 177.54 1nya h ALA 39 N 1.70 1.85 -0.07 3.43 0.00 0.13 0.14 119.26 126.43 1nya h ALA 39 Ca 0.21 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1nya h ALA 39 Cb 0.13 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1nya h ALA 39 CO -0.06 0.13 0.00 1.19 0.00 0.00 0.00 179.25 180.51 1nya n PHE 40 N -4.49 0.07 -4.78 0.00 3.01 0.85 -4.99 117.46 107.14 1nya n PHE 40 Ca -0.01 -0.04 0.00 0.00 1.01 0.00 0.00 57.45 58.41 1nya n PHE 40 Cb 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.57 1nya n PHE 40 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1nya n GLY 41 N 1.25 0.99 5.00 1.37 0.00 0.48 -4.83 105.19 109.45 1nya n GLY 41 Ca 0.17 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 0.00 0.00 -0.51 1.61 4.81 -1.26 -4.64 118.16 118.16 1nya n LYS 42 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1nya n LYS 42 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1nya n LYS 42 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1nya n ASP 43 N 2.73 0.00 0.11 3.14 9.92 -1.26 -5.05 116.55 126.13 1nya n ASP 43 Ca 0.00 -0.42 0.00 0.00 -0.53 0.00 0.00 54.79 53.84 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 2.87 -0.67 2.24 0.00 -1.26 -4.02 120.51 116.68 1nya n ALA 44 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 1nya n ALA 44 Cb 0.00 0.00 0.22 0.00 0.00 0.00 0.00 19.45 19.67 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 1.37 3.43 0.70 0.00 0.00 -1.26 -4.67 105.19 104.77 1nya n GLY 45 Ca 0.00 -0.81 -0.06 0.00 0.00 0.00 0.00 46.02 45.14 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 -0.24 -0.85 0.03 4.61 0.00 -1.26 -4.75 120.51 118.04 1nya n ALA 46 Ca 0.37 -0.33 -0.11 0.00 0.00 0.00 0.00 53.44 53.36 1nya n ALA 46 Cb 1.26 -0.03 -0.08 0.00 0.00 0.00 0.00 19.45 20.60 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 -2.22 -0.15 -0.07 0.00 0.00 -1.99 -2.59 119.26 112.23 1nya h ALA 47 Ca -0.08 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.59 1nya h ALA 47 Cb 0.27 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1nya h ALA 47 CO 0.05 -0.26 0.06 1.05 0.00 0.00 0.00 179.25 180.16 1nya h GLU 48 N -0.81 0.00 0.04 0.00 4.11 -1.97 -0.50 114.58 115.46 1nya h GLU 48 Ca -0.02 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.26 1nya h GLU 48 Cb 0.56 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.82 1nya h GLU 48 CO 0.03 0.00 -0.62 0.28 0.07 0.00 0.00 179.01 178.76 1nya h VAL 49 N 0.00 1.47 -0.67 -1.06 2.07 -1.84 -2.27 116.25 113.96 1nya h VAL 49 Ca 0.03 -2.22 0.01 0.00 0.82 0.00 0.00 66.70 65.34 1nya h VAL 49 Cb 0.16 2.83 -0.03 0.00 -1.52 0.00 0.00 31.29 32.72 1nya h VAL 49 CO -0.00 0.63 0.44 -0.61 0.02 0.00 0.00 177.57 178.06 1nya h GLN 50 N -0.25 0.88 0.44 1.57 5.75 -0.98 -0.87 115.11 121.66 1nya h GLN 50 Ca -0.09 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.34 1nya h GLN 50 Cb 1.38 -0.20 -0.01 0.00 1.07 0.00 0.00 27.48 29.72 1nya h GLN 50 CO 0.12 0.59 -0.32 1.15 -2.65 0.00 0.00 178.83 177.72 1nya h THR 51 N 0.91 0.34 -0.13 2.39 2.02 -1.16 0.10 112.91 117.37 1nya h THR 51 Ca 0.25 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.47 1nya h THR 51 Cb -0.10 0.34 -0.07 0.00 -1.74 0.00 0.00 68.15 66.58 1nya h THR 51 CO -0.05 0.00 -0.38 0.25 0.37 0.00 0.00 175.52 175.71 1nya h LEU 52 N -0.75 -1.18 -0.89 2.58 5.85 -1.11 0.73 115.31 120.54 1nya h LEU 52 Ca -0.04 0.16 0.18 0.00 0.84 0.00 0.00 57.88 59.02 1nya h LEU 52 Cb 0.64 0.49 -0.11 0.00 0.37 0.00 0.00 40.66 42.05 1nya h LEU 52 CO 0.01 -0.40 0.46 0.11 -0.34 0.00 0.00 178.44 178.28 1nya h LYS 53 N -0.45 0.57 -0.59 1.25 1.57 -0.99 0.37 116.57 118.31 1nya h LYS 53 Ca 0.09 -0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.87 1nya h LYS 53 Cb 0.60 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.73 1nya h LYS 53 CO -0.38 0.38 0.33 -0.97 -0.57 0.00 0.00 179.45 178.24 1nya h ASN 54 N 0.58 0.52 -0.30 0.86 -1.24 0.14 0.76 115.58 116.91 1nya h ASN 54 Ca 0.52 0.02 -0.07 0.00 0.71 0.00 0.00 56.30 57.47 1nya h ASN 54 Cb 0.83 -0.09 -0.01 0.00 0.73 0.00 0.00 38.32 39.78 1nya h ASN 54 CO -0.42 0.35 -0.10 0.00 -1.29 0.00 0.00 177.43 175.98 1nya h ALA 55 N 1.28 0.41 -0.37 1.57 0.00 0.99 -2.74 119.26 120.40 1nya h ALA 55 Ca 0.25 -0.30 0.06 0.00 0.00 0.00 0.00 54.91 54.92 1nya h ALA 55 Cb 0.09 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1nya h ALA 55 CO -0.14 0.26 0.25 0.74 0.00 0.00 0.00 179.25 180.37 1nya h PHE 56 N 0.35 0.22 -0.06 0.00 0.04 0.15 -2.18 116.94 115.47 1nya h PHE 56 Ca 0.07 0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.83 1nya h PHE 56 Cb 0.60 -0.07 -0.00 0.00 2.20 0.00 0.00 35.95 38.68 1nya h PHE 56 CO 0.06 0.12 -0.04 0.78 -0.60 0.00 0.00 178.31 178.63 1nya h GLY 57 N 0.22 0.14 0.66 -1.45 0.00 -0.58 -3.16 103.07 98.90 1nya h GLY 57 Ca 0.17 -0.13 0.12 0.00 0.00 0.00 0.00 47.33 47.49 1nya h GLY 57 CO -0.03 0.12 0.55 -1.33 0.00 0.00 0.00 176.54 175.85 1nya h GLY 58 N -0.27 1.11 1.26 4.60 0.00 -1.13 -0.15 103.07 108.49 1nya h GLY 58 Ca 0.01 -0.29 0.04 0.00 0.00 0.00 0.00 47.33 47.09 1nya h GLY 58 CO 0.01 0.13 0.40 -2.00 0.00 0.00 0.00 176.54 175.08 1nya h LEU 59 N 0.70 0.58 -0.21 3.11 6.46 -1.45 -1.69 115.31 122.81 1nya h LEU 59 Ca 0.41 -0.00 0.00 0.00 -0.12 0.00 0.00 57.88 58.17 1nya h LEU 59 Cb 0.61 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 40.40 1nya h LEU 59 CO -0.17 0.40 0.14 0.15 -0.62 0.00 0.00 178.44 178.33 1nya h PHE 60 N 0.67 0.26 -0.89 1.25 3.04 -1.05 -2.77 116.94 117.46 1nya h PHE 60 Ca 0.25 0.00 0.17 0.00 3.98 0.00 0.00 57.97 62.37 1nya h PHE 60 Cb 0.14 -0.09 -0.16 0.00 2.56 0.00 0.00 35.95 38.39 1nya h PHE 60 CO -0.00 0.18 -0.26 0.22 -2.02 0.00 0.00 178.31 176.42 1nya h ASP 61 N 0.28 -0.96 -0.72 0.41 3.58 -1.25 1.22 116.42 118.98 1nya h ASP 61 Ca 0.08 0.27 0.07 0.00 0.42 0.00 0.00 57.03 57.87 1nya h ASP 61 Cb -0.02 0.59 -0.04 0.00 1.72 0.00 0.00 39.33 41.58 1nya h ASP 61 CO -0.02 -0.30 0.47 0.22 -2.88 0.00 0.00 179.24 176.74 1nya h TYR 62 N -0.01 0.73 0.48 0.28 3.20 -1.49 0.65 116.97 120.81 1nya h TYR 62 Ca 0.40 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.27 1nya h TYR 62 Cb 0.64 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.67 1nya h TYR 62 CO -0.72 0.38 -0.23 -0.07 -1.64 0.00 0.00 178.16 175.88 1nya h LEU 63 N 0.72 -0.54 -0.63 2.82 3.38 0.15 0.24 115.31 121.46 1nya h LEU 63 Ca 0.31 -0.08 0.07 0.00 0.09 0.00 0.00 57.88 58.27 1nya h LEU 63 Cb 0.29 0.14 -0.06 0.00 0.09 0.00 0.00 40.66 41.13 1nya h LEU 63 CO -0.10 -0.21 0.32 0.00 0.09 0.00 0.00 178.44 178.54 1nya h ALA 64 N -0.52 0.84 0.36 1.53 0.00 -0.65 1.22 119.26 122.03 1nya h ALA 64 Ca -0.07 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1nya h ALA 64 Cb 0.59 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1nya h ALA 64 CO 0.11 -0.03 -0.17 -0.22 0.00 0.00 0.00 179.25 178.93 1nya h LYS 65 N 0.59 -0.46 -0.83 0.00 1.63 -0.86 1.24 116.57 117.88 1nya h LYS 65 Ca 0.29 0.03 -0.03 0.00 -0.85 0.00 0.00 60.65 60.09 1nya h LYS 65 Cb 0.23 0.11 -0.04 0.00 -0.60 0.00 0.00 32.23 31.93 1nya h LYS 65 CO -0.21 -0.18 0.39 1.49 -3.45 0.00 0.00 179.45 177.49 1nya h GLU 66 N -0.73 1.20 0.00 1.90 4.22 -0.28 -2.51 114.58 118.38 1nya h GLU 66 Ca -0.05 -0.18 -0.13 0.00 0.08 0.00 0.00 59.36 59.08 1nya h GLU 66 Cb 0.50 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 1nya h GLU 66 CO 0.08 0.92 -0.62 0.00 -2.18 0.00 0.00 179.01 177.21 1nya h ALA 67 N 1.24 0.68 -3.32 2.92 0.00 0.16 -3.49 119.26 117.46 1nya h ALA 67 Ca 0.28 -0.57 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1nya h ALA 67 Cb 0.13 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1nya h ALA 67 CO -0.03 0.78 -0.02 0.41 0.00 0.00 0.00 179.25 180.39 1nya n GLY 68 N 0.94 -0.26 0.00 0.00 0.00 0.42 -5.03 105.19 101.26 1nya n GLY 68 Ca 0.01 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1nya n GLY 68 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1nya n VAL 69 N -1.20 0.00 0.00 1.61 0.24 -0.56 -5.03 118.33 113.39 1nya n VAL 69 Ca -0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1nya n VAL 69 Cb 0.50 -0.13 0.00 0.00 -1.47 0.00 0.00 33.84 32.75 1nya n VAL 69 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1nya n GLY 70 N 3.66 0.01 0.00 7.63 0.00 -1.26 -4.95 105.19 110.28 1nya n GLY 70 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1nya n GLY 70 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1nya n SER 71 N 0.00 0.00 -0.67 1.61 2.88 -1.26 -4.86 113.62 111.32 1nya n SER 71 Ca 0.00 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.60 1nya n SER 71 Cb 0.00 0.00 0.16 0.00 -0.75 0.00 0.00 64.21 63.62 1nya n SER 71 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1nya n ASP 72 N 0.00 3.00 -1.19 -3.46 2.03 -1.26 -4.77 116.55 110.90 1nya n ASP 72 Ca 0.00 -2.06 0.00 0.00 0.52 0.00 0.00 54.79 53.25 1nya n ASP 72 Cb 0.00 -0.25 0.00 0.00 -0.72 0.00 0.00 41.12 40.15 1nya n ASP 72 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1nya n GLY 73 N 0.47 1.11 3.11 0.27 0.00 -1.26 -5.08 105.19 103.81 1nya n GLY 73 Ca 0.12 -1.94 -0.09 0.00 0.00 0.00 0.00 46.02 44.11 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 0.01 1.61 1.04 -1.26 -4.72 113.70 109.63 1nya s SER 74 Ca 0.00 -0.67 0.08 0.00 0.48 0.00 0.00 55.95 55.84 1nya s SER 74 Cb 0.00 0.22 -0.03 0.00 0.10 0.00 0.00 66.02 66.32 1nya s SER 74 CO 0.00 -0.54 -0.23 -0.76 0.98 0.00 0.00 173.24 172.69 1nya s LEU 75 N -2.36 2.27 0.00 2.42 1.43 -1.01 -4.90 118.68 116.53 1nya s LEU 75 Ca -0.02 -0.46 -0.00 0.00 -1.03 0.00 0.00 54.13 52.62 1nya s LEU 75 Cb 0.01 -1.38 0.01 0.00 0.03 0.00 0.00 46.19 44.86 1nya s LEU 75 CO -0.06 0.30 0.06 0.35 0.23 0.00 0.00 176.35 177.22 1nya n THR 76 N 2.08 0.00 -0.03 5.49 -2.24 -1.26 -0.31 114.28 118.02 1nya n THR 76 Ca -0.16 -0.07 -0.15 0.00 -2.27 0.00 0.00 64.05 61.39 1nya n THR 76 Cb 0.52 -1.64 -0.11 0.00 -2.10 0.00 0.00 70.33 66.99 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 0.18 -0.17 -0.78 4.81 -1.98 -2.69 114.58 113.95 1nya h GLU 77 Ca -0.02 -0.19 -0.00 0.00 -0.13 0.00 0.00 59.36 59.02 1nya h GLU 77 Cb 0.06 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 1nya h GLU 77 CO 0.02 0.92 0.10 0.93 -0.73 0.00 0.00 179.01 180.24 1nya h GLU 78 N -0.49 0.22 -0.09 1.92 5.08 -1.98 -2.46 114.58 116.78 1nya h GLU 78 Ca -0.03 -0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.19 1nya h GLU 78 Cb 1.00 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 30.21 1nya h GLU 78 CO 0.05 0.16 -0.41 1.96 -1.00 0.00 0.00 179.01 179.77 1nya h GLN 79 N 0.23 0.44 -0.19 2.33 7.50 -1.94 -3.10 115.11 120.38 1nya h GLN 79 Ca 0.06 -0.35 0.05 0.00 0.50 0.00 0.00 58.65 58.91 1nya h GLN 79 Cb 0.00 0.07 -0.06 0.00 0.05 0.00 0.00 27.48 27.54 1nya h GLN 79 CO -0.01 0.98 -0.21 0.35 -1.50 0.00 0.00 178.83 178.44 1nya h PHE 80 N -0.00 -0.54 -0.05 2.96 3.57 -1.10 -1.18 116.94 120.60 1nya h PHE 80 Ca -0.02 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.54 1nya h PHE 80 Cb 1.05 0.27 -0.05 0.00 2.79 0.00 0.00 35.95 40.01 1nya h PHE 80 CO 0.12 -0.29 -0.27 0.82 -2.23 0.00 0.00 178.31 176.46 1nya h ILE 81 N -0.24 0.38 -0.19 1.41 2.04 -1.55 0.80 117.51 120.16 1nya h ILE 81 Ca 0.12 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.01 1nya h ILE 81 Cb 0.41 0.38 -0.03 0.00 -0.74 0.00 0.00 36.82 36.84 1nya h ILE 81 CO -0.32 0.00 -0.03 -0.09 0.00 0.00 0.00 178.15 177.70 1nya h ARG 82 N -0.38 0.02 -0.03 2.37 9.65 -1.41 -1.02 114.38 123.58 1nya h ARG 82 Ca 0.08 -0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.93 1nya h ARG 82 Cb 0.49 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.07 1nya h ARG 82 CO -0.27 0.01 -0.06 0.28 2.80 0.00 0.00 179.97 182.73 1nya h VAL 83 N 0.02 1.45 -0.91 0.20 2.07 -0.96 -3.00 116.25 115.12 1nya h VAL 83 Ca 0.09 -1.42 0.03 0.00 0.82 0.00 0.00 66.70 66.22 1nya h VAL 83 Cb 0.13 2.33 -0.05 0.00 -1.52 0.00 0.00 31.29 32.18 1nya h VAL 83 CO -0.18 0.38 0.59 0.00 0.02 0.00 0.00 177.57 178.38 1nya h THR 84 N -0.45 1.17 -0.64 2.57 1.03 0.64 -2.66 112.91 114.57 1nya h THR 84 Ca 0.00 -0.40 -0.04 0.00 -0.01 0.00 0.00 66.41 65.96 1nya h THR 84 Cb 0.65 -0.10 -0.03 0.00 -1.07 0.00 0.00 68.15 67.61 1nya h THR 84 CO 0.01 0.21 0.25 -0.33 -0.01 0.00 0.00 175.52 175.66 1nya h GLU 85 N 1.17 0.96 -0.92 0.00 5.08 -1.25 -3.02 114.58 116.58 1nya h GLU 85 Ca 0.36 -0.18 0.10 0.00 -1.00 0.00 0.00 59.36 58.64 1nya h GLU 85 Cb -0.03 -0.15 -0.08 0.00 0.50 0.00 0.00 28.75 28.99 1nya h GLU 85 CO -0.11 0.81 0.56 -0.97 -1.00 0.00 0.00 179.01 178.30 1nya h ASN 86 N 0.90 0.83 0.68 1.42 -0.73 -1.32 0.56 115.58 117.91 1nya h ASN 86 Ca 0.21 0.04 -0.03 0.00 1.87 0.00 0.00 56.30 58.39 1nya h ASN 86 Cb 0.21 -0.12 0.00 0.00 0.27 0.00 0.00 38.32 38.68 1nya h ASN 86 CO -0.02 0.46 -0.35 -0.07 -0.37 0.00 0.00 177.43 177.09 1nya h LEU 87 N 0.93 -0.84 -0.33 0.34 3.38 -1.47 0.21 115.31 117.52 1nya h LEU 87 Ca 0.45 0.04 -0.19 0.00 0.09 0.00 0.00 57.88 58.26 1nya h LEU 87 Cb 0.40 0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1nya h LEU 87 CO -0.25 -0.58 -0.72 0.40 0.09 0.00 0.00 178.44 177.38 1nya h ILE 88 N -0.94 1.34 0.00 1.22 2.04 -1.52 -3.33 117.51 116.31 1nya h ILE 88 Ca -0.09 -2.04 0.00 0.00 1.00 0.00 0.00 64.86 63.73 1nya h ILE 88 Cb 0.73 2.02 0.00 0.00 -0.74 0.00 0.00 36.82 38.83 1nya h ILE 88 CO 0.13 0.63 0.00 0.49 0.00 0.00 0.00 178.15 179.40 1nya n PHE 89 N -3.89 0.00 0.00 1.37 3.01 0.19 -4.75 117.46 113.39 1nya n PHE 89 Ca -0.05 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.41 1nya n PHE 89 Cb 0.71 -0.25 0.00 0.00 -0.01 0.00 0.00 39.48 39.93 1nya n PHE 89 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 1nya n GLU 90 N -2.21 0.00 -2.00 -1.08 0.00 0.69 -4.69 120.64 111.34 1nya n GLU 90 Ca 0.00 0.47 -0.29 0.00 0.00 0.00 0.00 57.16 57.34 1nya n GLU 90 Cb 0.00 -1.01 0.14 0.00 0.00 0.00 0.00 31.44 30.57 1nya n GLU 90 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.13 176.48 1nya s GLN 91 N -1.04 1.22 0.00 5.31 -0.21 -0.83 -5.03 119.66 119.08 1nya s GLN 91 Ca 0.00 -0.32 0.00 0.00 0.02 0.00 0.00 55.36 55.06 1nya s GLN 91 Cb 0.00 -1.94 0.00 0.00 1.00 0.00 0.00 33.01 32.07 1nya s GLN 91 CO 0.00 -2.01 0.00 0.41 -2.12 0.00 0.00 175.29 171.57 1nya n GLY 92 N -3.49 0.74 0.37 3.09 0.00 -1.26 -4.60 105.19 100.04 1nya n GLY 92 Ca 0.13 -1.78 0.04 0.00 0.00 0.00 0.00 46.02 44.41 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 1.07 -0.41 1.61 5.08 -1.93 -1.78 114.58 118.22 1nya h GLU 93 Ca 0.00 -0.06 0.12 0.00 -1.00 0.00 0.00 59.36 58.42 1nya h GLU 93 Cb 0.00 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 28.99 1nya h GLU 93 CO 0.00 0.71 0.45 0.00 -1.00 0.00 0.00 179.01 179.17 1nya h ALA 94 N 1.49 2.13 0.00 3.43 0.00 -1.96 1.28 119.26 125.63 1nya h ALA 94 Ca 0.45 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.30 1nya h ALA 94 Cb 0.27 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1nya h ALA 94 CO -0.20 -0.66 -0.26 0.66 0.00 0.00 0.00 179.25 178.80 1nya h SER 95 N 0.00 0.00 -0.20 0.00 4.64 -1.63 -2.96 113.55 113.41 1nya h SER 95 Ca 0.20 -0.65 -0.19 0.00 -0.47 0.00 0.00 61.79 60.68 1nya h SER 95 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1nya h SER 95 CO -0.00 0.97 -0.59 0.15 -0.87 0.00 0.00 176.83 176.49 1nya h PHE 96 N -1.00 1.03 -0.26 4.77 3.57 -1.31 -3.09 116.94 120.65 1nya h PHE 96 Ca -0.06 -0.38 -0.13 0.00 3.53 0.00 0.00 57.97 60.92 1nya h PHE 96 Cb 0.82 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.36 1nya h PHE 96 CO 0.16 1.20 -0.37 -0.97 -2.23 0.00 0.00 178.31 176.10 1nya h ASN 97 N 0.61 0.63 0.35 0.41 -0.73 0.14 -1.00 115.58 115.99 1nya h ASN 97 Ca 0.00 -0.27 -0.02 0.00 1.87 0.00 0.00 56.30 57.88 1nya h ASN 97 Cb 1.20 -0.18 0.00 0.00 0.27 0.00 0.00 38.32 39.61 1nya h ASN 97 CO 0.13 0.94 -0.17 0.03 -0.37 0.00 0.00 177.43 177.99 1nya h ARG 98 N 0.50 -0.45 -0.57 6.67 3.08 -1.53 1.20 114.38 123.27 1nya h ARG 98 Ca 0.05 0.03 -0.10 0.00 0.07 0.00 0.00 59.98 60.03 1nya h ARG 98 Cb 0.87 0.10 -0.02 0.00 0.08 0.00 0.00 29.97 31.01 1nya h ARG 98 CO 0.08 -0.30 -0.05 -0.24 -1.07 0.00 0.00 179.97 178.39 1nya h VAL 99 N -0.53 1.27 0.00 2.04 3.04 -1.65 -3.24 116.25 117.17 1nya h VAL 99 Ca -0.05 -1.19 -0.11 0.00 -1.01 0.00 0.00 66.70 64.33 1nya h VAL 99 Cb 0.36 0.87 -0.02 0.00 -2.01 0.00 0.00 31.29 30.49 1nya h VAL 99 CO 0.08 0.43 -1.26 0.25 -1.01 0.00 0.00 177.57 176.05 1nya h LEU 100 N 0.94 0.00 -0.21 3.16 5.85 -1.28 -3.41 115.31 120.36 1nya h LEU 100 Ca 0.16 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.90 1nya h LEU 100 Cb 0.60 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.60 1nya h LEU 100 CO 0.04 0.40 -0.22 1.23 -0.34 0.00 0.00 178.44 179.55 1nya h GLY 101 N 3.80 -1.70 1.41 3.75 0.00 0.15 0.17 103.07 110.64 1nya h GLY 101 Ca -0.11 0.85 0.00 0.00 0.00 0.00 0.00 47.33 48.07 1nya h GLY 101 CO 0.03 -0.54 0.27 -2.55 0.00 0.00 0.00 176.54 173.76 1nya h PRO 102 N -0.11 0.00 0.04 4.80 0.11 -1.76 -1.36 132.00 133.72 1nya h PRO 102 Ca 0.04 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 66.03 1nya h PRO 102 Cb 0.21 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.33 1nya h PRO 102 CO -0.26 0.00 -0.49 0.28 -0.21 0.00 0.00 178.00 177.32 1nya h VAL 103 N 0.00 1.54 -0.22 3.15 2.07 -0.92 -2.92 116.25 118.95 1nya h VAL 103 Ca 0.00 -2.21 -0.15 0.00 0.82 0.00 0.00 66.70 65.16 1nya h VAL 103 Cb 0.55 2.93 -0.01 0.00 -1.52 0.00 0.00 31.29 33.24 1nya h VAL 103 CO 0.00 0.62 -0.48 0.58 0.02 0.00 0.00 177.57 178.31 1nya h VAL 104 N -0.42 1.31 0.10 2.57 2.07 -0.58 -3.21 116.25 118.10 1nya h VAL 104 Ca -0.07 -1.69 0.01 0.00 0.82 0.00 0.00 66.70 65.76 1nya h VAL 104 Cb 1.28 1.66 -0.02 0.00 -1.52 0.00 0.00 31.29 32.70 1nya h VAL 104 CO 0.09 0.53 -0.15 0.11 0.02 0.00 0.00 177.57 178.18 1nya h LYS 105 N 0.46 -0.29 -1.22 1.57 1.57 -1.47 -2.03 116.57 115.17 1nya h LYS 105 Ca 0.02 0.02 0.35 0.00 -1.87 0.00 0.00 60.65 59.17 1nya h LYS 105 Cb 1.01 0.07 -0.06 0.00 0.08 0.00 0.00 32.23 33.33 1nya h LYS 105 CO 0.09 -0.19 0.86 0.78 -0.57 0.00 0.00 179.45 180.42 1nya h GLY 106 N -0.30 0.24 1.23 3.86 0.00 -1.51 0.38 103.07 106.96 1nya h GLY 106 Ca 0.02 -0.04 -0.26 0.00 0.00 0.00 0.00 47.33 47.06 1nya h GLY 106 CO -0.08 -0.04 -0.98 -2.22 0.00 0.00 0.00 176.54 173.22 1nya h ILE 107 N 0.06 1.28 -0.53 2.60 2.04 -1.45 -3.24 117.51 118.28 1nya h ILE 107 Ca 0.60 -2.20 -0.03 0.00 1.00 0.00 0.00 64.86 64.22 1nya h ILE 107 Cb 2.25 2.30 -0.03 0.00 -0.74 0.00 0.00 36.82 40.61 1nya h ILE 107 CO -0.07 0.68 0.18 0.58 0.00 0.00 0.00 178.15 179.53 1nya h VAL 108 N 0.42 1.20 -0.90 1.67 2.07 0.01 -1.81 116.25 118.91 1nya h VAL 108 Ca -0.11 -0.67 0.01 0.00 0.82 0.00 0.00 66.70 66.76 1nya h VAL 108 Cb 1.63 0.60 -0.05 0.00 -1.52 0.00 0.00 31.29 31.96 1nya h VAL 108 CO 0.19 0.26 0.60 1.23 0.02 0.00 0.00 177.57 179.87 1nya h GLY 109 N 0.91 1.27 2.00 2.17 0.00 -1.36 1.38 103.07 109.44 1nya h GLY 109 Ca 0.18 -0.47 -0.10 0.00 0.00 0.00 0.00 47.33 46.94 1nya h GLY 109 CO -0.01 0.45 -0.48 -0.33 0.00 0.00 0.00 176.54 176.16 1nya h MET 110 N 1.21 0.00 0.00 4.80 2.86 -1.54 -3.33 114.93 118.93 1nya h MET 110 Ca 0.33 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.76 1nya h MET 110 Cb -0.12 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.50 1nya h MET 110 CO -0.08 0.48 -2.01 0.00 1.06 0.00 0.00 176.91 176.37 1nya s ASP 112 N -5.31 5.08 0.22 0.00 1.11 0.47 -4.78 116.67 113.45 1nya s ASP 112 Ca -0.07 1.31 0.21 0.00 0.18 0.00 0.00 52.55 54.17 1nya s ASP 112 Cb 0.09 -2.51 0.03 0.00 1.07 0.00 0.00 42.92 41.60 1nya s ASP 112 CO 0.85 -2.35 1.13 0.11 1.18 0.00 0.00 175.17 176.08 1nya h LYS 113 N 16.60 0.00 -0.39 8.23 1.57 -1.90 -3.32 116.57 137.37 1nya h LYS 113 Ca -0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 1nya h LYS 113 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.54 1nya h LYS 113 CO 1.08 0.10 0.00 0.27 -0.57 0.00 0.00 179.45 180.33 1nya n ASN 114 N -2.84 3.07 -4.03 0.86 0.23 -1.26 -5.01 115.26 106.28 1nya n ASN 114 Ca -0.01 -1.93 -0.43 0.00 -0.53 0.00 0.00 54.58 51.67 1nya n ASN 114 Cb 0.62 -0.26 0.02 0.00 -2.08 0.00 0.00 39.78 38.09 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 0.86 -2.65 0.00 -2.53 0.00 -1.25 -4.87 120.51 110.07 1nya n ALA 115 Ca 0.14 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 53.04 1nya n ALA 115 Cb 0.47 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.59 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 -2.23 0.08 0.00 0.00 5.75 -1.26 -5.01 116.55 113.88 1nya n ASP 116 Ca -0.14 -0.49 0.00 0.00 -0.01 0.00 0.00 54.79 54.15 1nya n ASP 116 Cb 0.58 1.00 0.00 0.00 -1.03 0.00 0.00 41.12 41.67 1nya n ASP 116 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1nya n GLY 117 N 1.02 0.50 3.51 6.12 0.00 -1.26 -5.02 105.19 110.06 1nya n GLY 117 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.07 1.75 -0.47 1.61 -0.21 -1.26 -4.66 119.66 116.33 1nya s GLN 118 Ca 0.00 -1.94 -0.07 0.00 0.02 0.00 0.00 55.36 53.37 1nya s GLN 118 Cb 0.00 -1.34 0.12 0.00 1.00 0.00 0.00 33.01 32.79 1nya s GLN 118 CO 0.00 -0.02 0.33 0.42 -2.12 0.00 0.00 175.29 173.90 1nya s ILE 119 N -2.91 3.99 0.43 1.08 -1.09 -0.06 -4.93 121.20 117.72 1nya s ILE 119 Ca 0.33 -1.94 -0.11 0.00 -2.23 0.00 0.00 60.65 56.70 1nya s ILE 119 Cb 0.06 -3.65 -0.06 0.00 -1.58 0.00 0.00 42.46 37.23 1nya s ILE 119 CO 0.15 -0.77 0.80 0.20 -1.23 0.00 0.00 174.94 174.10 1nya s ASN 120 N 2.34 6.51 0.38 3.58 -0.87 -1.26 -1.64 114.94 123.97 1nya s ASN 120 Ca 0.07 1.18 0.18 0.00 -1.57 0.00 0.00 52.86 52.72 1nya s ASN 120 Cb -0.25 -2.34 1.11 0.00 -0.02 0.00 0.00 41.25 39.75 1nya s ASN 120 CO -0.02 -0.45 1.72 0.00 -2.57 0.00 0.00 177.10 175.79 1nya h ALA 121 N 1.10 2.18 0.00 0.60 0.00 -1.98 1.49 119.26 122.65 1nya h ALA 121 Ca -0.47 0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.46 1nya h ALA 121 Cb 1.19 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1nya h ALA 121 CO 0.63 -0.67 -0.40 -0.44 0.00 0.00 0.00 179.25 178.37 1nya h ASP 122 N 0.37 0.00 0.04 0.00 3.32 -1.98 -0.83 116.42 117.34 1nya h ASP 122 Ca 0.66 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.56 1nya h ASP 122 Cb 1.64 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.18 1nya h ASP 122 CO -0.39 0.40 -0.76 -0.33 -1.72 0.00 0.00 179.24 176.44 1nya h GLU 123 N 0.00 0.09 -0.05 3.56 5.08 0.13 -3.13 114.58 120.25 1nya h GLU 123 Ca -0.00 -0.15 0.02 0.00 -1.00 0.00 0.00 59.36 58.22 1nya h GLU 123 Cb 0.87 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.16 1nya h GLU 123 CO 0.05 1.07 -0.07 0.35 -1.00 0.00 0.00 179.01 179.42 1nya h PHE 124 N -0.77 -0.17 -0.59 4.33 3.57 0.69 -2.55 116.94 121.45 1nya h PHE 124 Ca -0.18 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.40 1nya h PHE 124 Cb 1.33 0.08 -0.06 0.00 2.79 0.00 0.00 35.95 40.09 1nya h PHE 124 CO 0.19 -0.11 0.27 0.00 -2.23 0.00 0.00 178.31 176.42 1nya h ALA 125 N 0.94 0.76 -0.42 2.41 0.00 -1.31 0.15 119.26 121.80 1nya h ALA 125 Ca 0.05 0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.10 1nya h ALA 125 Cb 0.16 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1nya h ALA 125 CO -0.11 -0.11 0.29 0.00 0.00 0.00 0.00 179.25 179.31 1nya h ALA 126 N 1.36 2.20 0.10 0.00 0.00 -1.41 -1.27 119.26 120.24 1nya h ALA 126 Ca 0.28 -0.01 -0.33 0.00 0.00 0.00 0.00 54.91 54.85 1nya h ALA 126 Cb 0.27 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1nya h ALA 126 CO -0.23 -0.30 -1.76 2.35 0.00 0.00 0.00 179.25 179.31 1nya h TRP 127 N 0.15 0.39 -0.68 0.00 7.01 -0.88 -3.15 115.95 118.80 1nya h TRP 127 Ca 0.20 -0.29 -0.03 0.00 2.11 0.00 0.00 58.89 60.88 1nya h TRP 127 Cb 0.58 -0.02 -0.03 0.00 -2.10 0.00 0.00 29.16 27.59 1nya h TRP 127 CO -0.00 1.48 0.30 -0.07 -2.79 0.00 0.00 178.44 177.36 1nya h LEU 128 N 0.06 0.91 -1.23 0.65 3.38 -0.52 -1.24 115.31 117.31 1nya h LEU 128 Ca -0.33 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.47 1nya h LEU 128 Cb 2.03 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 42.54 1nya h LEU 128 CO 0.12 0.80 -0.10 0.71 0.09 0.00 0.00 178.44 180.06 1nya h THR 129 N 0.95 0.26 -0.52 0.22 1.35 -1.37 -0.91 112.91 112.89 1nya h THR 129 Ca 0.23 -0.82 -0.07 0.00 -0.55 0.00 0.00 66.41 65.21 1nya h THR 129 Cb 0.16 1.65 -0.02 0.00 -1.73 0.00 0.00 68.15 68.21 1nya h THR 129 CO -0.02 0.10 0.06 0.00 -0.25 0.00 0.00 175.52 175.40 1nya h ALA 130 N 1.90 1.12 0.00 6.62 0.00 -1.18 -2.89 119.26 124.82 1nya h ALA 130 Ca -0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1nya h ALA 130 Cb 0.64 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1nya h ALA 130 CO 0.01 0.57 -0.60 1.28 0.00 0.00 0.00 179.25 180.52 1nya n LEU 131 N -4.23 0.60 0.00 0.00 4.77 -1.13 -4.92 117.00 112.09 1nya n LEU 131 Ca 0.03 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 1nya n LEU 131 Cb 0.27 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1nya n LEU 131 CO 0.41 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 1nya n GLY 132 N 1.40 1.75 3.85 -0.72 0.00 -1.09 -5.14 105.19 105.24 1nya n GLY 132 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 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 0.00 3.12 0.64 1.61 -1.94 -0.36 -4.98 119.30 117.40 1nya s MET 133 Ca 0.00 -0.65 -0.09 0.00 -1.71 0.00 0.00 55.69 53.24 1nya s MET 133 Cb 0.00 -2.83 0.00 0.00 2.01 0.00 0.00 34.83 34.01 1nya s MET 133 CO 0.00 0.55 1.01 0.45 -0.01 0.00 0.00 175.02 177.02 1nya s SER 134 N -2.72 5.65 0.49 3.03 0.15 -1.26 -3.93 113.70 115.11 1nya s SER 134 Ca 0.32 1.03 0.23 0.00 0.70 0.00 0.00 55.95 58.23 1nya s SER 134 Cb -0.12 -1.96 1.25 0.00 -1.71 0.00 0.00 66.02 63.49 1nya s SER 134 CO 0.25 -1.14 2.02 0.50 1.20 0.00 0.00 173.24 176.07 1nya h LYS 135 N -0.41 0.00 0.00 5.44 3.64 -1.98 -1.75 116.57 121.51 1nya h LYS 135 Ca -0.45 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 58.82 1nya h LYS 135 Cb 1.24 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.05 1nya h LYS 135 CO 0.62 0.16 -0.51 0.00 -2.27 0.00 0.00 179.45 177.46 1nya h ALA 136 N 1.84 0.70 -0.08 5.00 0.00 -2.01 -3.24 119.26 121.46 1nya h ALA 136 Ca -0.00 -0.46 -0.12 0.00 0.00 0.00 0.00 54.91 54.32 1nya h ALA 136 Cb 0.38 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.09 1nya h ALA 136 CO 0.02 0.64 -0.44 1.49 0.00 0.00 0.00 179.25 180.96 1nya h GLU 137 N 0.00 0.44 0.54 0.00 4.81 -1.70 -3.04 114.58 115.63 1nya h GLU 137 Ca -0.01 -0.36 -0.02 0.00 -0.13 0.00 0.00 59.36 58.84 1nya h GLU 137 Cb 1.34 0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.79 1nya h GLU 137 CO 0.07 1.00 -0.32 0.00 -0.73 0.00 0.00 179.01 179.03 1nya h ALA 138 N 0.44 -0.81 -0.83 2.92 0.00 -1.58 0.24 119.26 119.64 1nya h ALA 138 Ca -0.03 -0.16 0.19 0.00 0.00 0.00 0.00 54.91 54.91 1nya h ALA 138 Cb 1.09 0.38 -0.12 0.00 0.00 0.00 0.00 17.79 19.14 1nya h ALA 138 CO 0.09 -0.97 0.30 0.00 0.00 0.00 0.00 179.25 178.67 1nya h ALA 139 N -0.39 1.22 -0.04 0.00 0.00 -1.67 0.40 119.26 118.77 1nya h ALA 139 Ca -0.07 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1nya h ALA 139 Cb 0.65 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 1nya h ALA 139 CO 0.08 -0.33 -0.04 1.49 0.00 0.00 0.00 179.25 180.45 1nya h GLU 140 N 0.35 0.10 -0.54 0.00 4.22 -1.36 -3.15 114.58 114.21 1nya h GLU 140 Ca 0.50 -0.05 -0.02 0.00 0.08 0.00 0.00 59.36 59.86 1nya h GLU 140 Cb 0.89 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.12 1nya h GLU 140 CO -0.52 0.54 0.24 0.00 -2.18 0.00 0.00 179.01 177.09 1nya h ALA 141 N 0.55 1.41 0.49 2.92 0.00 0.44 -2.41 119.26 122.67 1nya h ALA 141 Ca 0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1nya h ALA 141 Cb 0.52 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1nya h ALA 141 CO 0.01 0.46 -0.48 0.35 0.00 0.00 0.00 179.25 179.58 1nya h PHE 142 N 0.76 -1.33 -0.52 0.00 3.57 -0.26 -1.80 116.94 117.36 1nya h PHE 142 Ca 0.19 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.73 1nya h PHE 142 Cb 0.12 0.52 -0.03 0.00 2.79 0.00 0.00 35.95 39.34 1nya h PHE 142 CO 0.01 -0.65 0.34 -0.91 -2.23 0.00 0.00 178.31 174.87 1nya h ASN 143 N -0.98 0.48 -0.52 0.41 4.21 -1.49 -1.78 115.58 115.91 1nya h ASN 143 Ca -0.06 -0.00 -0.09 0.00 1.21 0.00 0.00 56.30 57.36 1nya h ASN 143 Cb 0.85 -0.11 -0.02 0.00 -1.12 0.00 0.00 38.32 37.92 1nya h ASN 143 CO -0.06 0.33 0.00 1.56 -1.29 0.00 0.00 177.43 177.97 1nya h GLN 144 N 0.55 0.95 0.00 0.81 4.20 -1.01 -3.14 115.11 117.47 1nya h GLN 144 Ca 0.21 -0.28 -0.20 0.00 0.06 0.00 0.00 58.65 58.44 1nya h GLN 144 Cb 0.16 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.81 1nya h GLN 144 CO -0.06 0.94 -1.07 0.28 -0.67 0.00 0.00 178.83 178.25 1nya h VAL 145 N 0.88 1.26 -0.11 -0.54 2.07 -0.85 -3.42 116.25 115.54 1nya h VAL 145 Ca 0.16 -2.91 -0.11 0.00 0.82 0.00 0.00 66.70 64.67 1nya h VAL 145 Cb 0.51 2.60 0.01 0.00 -1.52 0.00 0.00 31.29 32.90 1nya h VAL 145 CO 0.03 0.72 0.30 0.47 0.02 0.00 0.00 177.57 179.10 1nya n ASP 146 N -3.22 1.48 -0.19 0.57 9.92 -0.71 -4.69 116.55 119.71 1nya n ASP 146 Ca -0.04 -2.52 0.09 0.00 -0.53 0.00 0.00 54.79 51.80 1nya n ASP 146 Cb 0.91 -1.59 0.39 0.00 -0.64 0.00 0.00 41.12 40.19 1nya n ASP 146 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 1nya h THR 147 N 6.42 0.95 -0.43 -3.53 2.02 -1.85 -1.15 112.91 115.33 1nya h THR 147 Ca 0.06 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 67.01 1nya h THR 147 Cb 0.95 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 67.58 1nya h THR 147 CO 1.16 0.12 0.00 -0.46 0.37 0.00 0.00 175.52 176.71 1nya n ASN 148 N -4.49 3.13 -3.99 4.18 6.94 -1.26 -4.95 115.26 114.82 1nya n ASN 148 Ca 0.12 -1.95 -0.31 0.00 -0.02 0.00 0.00 54.58 52.42 1nya n ASN 148 Cb 0.31 -0.28 -0.06 0.00 -2.36 0.00 0.00 39.78 37.40 1nya n ASN 148 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1nya n GLY 149 N 1.44 -0.43 0.19 4.83 0.00 -0.44 -4.77 105.19 106.02 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 -2.21 1.02 0.00 1.61 6.94 -1.26 -4.95 115.26 116.41 1nya n ASN 150 Ca 0.09 -0.81 0.00 0.00 -0.02 0.00 0.00 54.58 53.83 1nya n ASN 150 Cb 0.47 0.30 0.00 0.00 -2.36 0.00 0.00 39.78 38.19 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 1.41 0.76 2.98 4.83 0.00 -1.26 -5.04 105.19 108.86 1nya n GLY 151 Ca 0.09 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.47 1.05 -0.56 1.61 2.02 -1.26 -4.61 118.70 116.48 1nya s GLU 152 Ca 0.00 -0.28 -0.17 0.00 0.02 0.00 0.00 54.97 54.54 1nya s GLU 152 Cb 0.00 -0.96 0.12 0.00 0.10 0.00 0.00 34.13 33.38 1nya s GLU 152 CO 0.00 0.05 0.59 -0.51 0.02 0.00 0.00 175.26 175.41 1nya s LEU 153 N 0.43 5.84 0.57 1.80 1.43 -0.65 -4.95 118.68 123.15 1nya s LEU 153 Ca -0.07 -1.63 -0.05 0.00 -1.03 0.00 0.00 54.13 51.35 1nya s LEU 153 Cb -0.11 -2.25 0.00 0.00 0.03 0.00 0.00 46.19 43.86 1nya s LEU 153 CO 0.01 -0.97 0.88 -0.55 0.23 0.00 0.00 176.35 175.95 1nya s SER 154 N 3.59 5.67 0.28 2.29 0.15 -1.26 -0.88 113.70 123.55 1nya s SER 154 Ca 0.07 0.71 0.01 0.00 0.70 0.00 0.00 55.95 57.43 1nya s SER 154 Cb -0.27 -1.75 0.68 0.00 -1.71 0.00 0.00 66.02 62.97 1nya s SER 154 CO 0.04 -0.99 1.64 -0.07 1.20 0.00 0.00 173.24 175.06 1nya h LEU 155 N -0.10 -0.06 0.56 3.45 3.38 -1.97 0.15 115.31 120.71 1nya h LEU 155 Ca -0.46 0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.70 1nya h LEU 155 Cb 1.25 0.28 -0.02 0.00 0.09 0.00 0.00 40.66 42.27 1nya h LEU 155 CO 0.60 -0.16 -0.45 0.44 0.09 0.00 0.00 178.44 178.96 1nya h ASP 156 N 0.19 -1.19 0.45 -0.43 5.19 -1.99 -2.20 116.42 116.43 1nya h ASP 156 Ca 0.54 0.09 0.00 0.00 -0.62 0.00 0.00 57.03 57.03 1nya h ASP 156 Cb 1.07 0.38 0.00 0.00 0.18 0.00 0.00 39.33 40.95 1nya h ASP 156 CO -0.66 -0.64 0.00 -0.62 -3.12 0.00 0.00 179.24 174.20 1nya n GLU 157 N -5.55 0.18 -0.01 3.56 1.02 -0.46 -2.88 120.64 116.49 1nya n GLU 157 Ca -0.12 0.51 -0.13 0.00 -0.02 0.00 0.00 57.16 57.40 1nya n GLU 157 Cb 0.44 -1.92 -0.10 0.00 -0.02 0.00 0.00 31.44 29.85 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 -0.01 -0.80 -4.62 3.38 -0.12 -3.11 115.31 110.03 1nya h LEU 158 Ca 0.00 -0.50 -0.07 0.00 0.09 0.00 0.00 57.88 57.40 1nya h LEU 158 Cb 0.23 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1nya h LEU 158 CO 0.00 0.49 0.08 -0.07 0.09 0.00 0.00 178.44 179.03 1nya h LEU 159 N -0.51 0.93 -2.03 1.67 3.38 -1.38 -2.15 115.31 115.22 1nya h LEU 159 Ca -0.00 -0.22 0.13 0.00 0.09 0.00 0.00 57.88 57.88 1nya h LEU 159 Cb 0.50 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1nya h LEU 159 CO 0.00 0.95 0.39 0.71 0.09 0.00 0.00 178.44 180.58 1nya h THR 160 N 0.92 0.57 0.08 0.22 1.35 -1.56 -0.67 112.91 113.81 1nya h THR 160 Ca 0.18 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 66.04 1nya h THR 160 Cb 0.43 0.71 0.00 0.00 -1.73 0.00 0.00 68.15 67.56 1nya h THR 160 CO 0.01 0.00 -0.04 0.00 -0.25 0.00 0.00 175.52 175.25 1nya h ALA 161 N 1.65 -0.91 -0.61 6.62 0.00 -1.31 -3.10 119.26 121.61 1nya h ALA 161 Ca 0.22 -0.02 0.14 0.00 0.00 0.00 0.00 54.91 55.25 1nya h ALA 161 Cb 1.00 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 1nya h ALA 161 CO -0.00 -0.90 0.42 -0.24 0.00 0.00 0.00 179.25 178.53 1nya h VAL 162 N -0.11 0.79 -0.98 0.00 3.04 -1.57 -0.74 116.25 116.68 1nya h VAL 162 Ca -0.01 -0.07 0.26 0.00 -1.01 0.00 0.00 66.70 65.87 1nya h VAL 162 Cb 0.08 0.56 -0.06 0.00 -2.01 0.00 0.00 31.29 29.86 1nya h VAL 162 CO 0.02 0.04 0.67 -0.09 -1.01 0.00 0.00 177.57 177.20 1nya h ARG 163 N 0.21 0.19 -1.95 4.17 2.43 -1.06 -0.97 114.38 117.40 1nya h ARG 163 Ca 0.29 -0.01 -0.60 0.00 -0.81 0.00 0.00 59.98 58.85 1nya h ARG 163 Cb 0.86 -0.04 -0.21 0.00 -0.42 0.00 0.00 29.97 30.15 1nya h ARG 163 CO -0.05 0.13 0.65 -0.25 -1.51 0.00 0.00 179.97 178.94 1nya n ASP 164 N -4.40 6.90 -0.05 -3.80 9.92 -0.28 -4.22 116.55 120.62 1nya n ASP 164 Ca 0.21 -3.45 -0.06 0.00 -0.53 0.00 0.00 54.79 50.97 1nya n ASP 164 Cb 0.92 -1.16 -0.06 0.00 -0.64 0.00 0.00 41.12 40.17 1nya n ASP 164 CO 0.00 0.00 0.00 2.22 0.13 0.00 0.00 177.20 179.55 1nya n PHE 165 N 0.29 0.00 0.41 1.24 -1.74 -0.37 -3.96 117.46 113.33 1nya n PHE 165 Ca 0.51 0.00 -0.17 0.00 -0.56 0.00 0.00 57.45 57.23 1nya n PHE 165 Cb 0.44 -0.44 -0.08 0.00 1.52 0.00 0.00 39.48 40.92 1nya n PHE 165 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 1nya h HIS 166 N 0.00 -1.04 -3.58 2.97 3.86 -1.79 -3.11 115.15 112.45 1nya h HIS 166 Ca -0.24 -0.02 -0.66 0.00 -1.16 0.00 0.00 60.37 58.29 1nya h HIS 166 Cb 1.50 0.35 -0.16 0.00 1.06 0.00 0.00 27.41 30.16 1nya h HIS 166 CO 0.00 -0.62 0.06 -0.59 0.86 0.00 0.00 177.93 177.64 1nya s PHE 167 N -5.40 3.09 -0.74 2.45 -0.71 -1.26 -4.52 117.98 110.90 1nya s PHE 167 Ca -0.16 -0.07 -0.02 0.00 -1.04 0.00 0.00 56.93 55.64 1nya s PHE 167 Cb 0.02 -3.23 0.00 0.00 -1.21 0.00 0.00 43.02 38.60 1nya s PHE 167 CO 0.48 -0.81 0.66 0.41 -1.34 0.00 0.00 175.22 174.63 1nya n GLY 168 N 5.01 -1.22 3.21 1.99 0.00 -1.26 -4.94 105.19 107.98 1nya n GLY 168 Ca -0.03 0.59 -0.27 0.00 0.00 0.00 0.00 46.02 46.32 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 -1.95 -2.61 -1.73 1.61 1.85 -1.17 -4.78 116.66 107.88 1nya n ARG 169 Ca -0.12 -0.76 0.00 0.00 -1.00 0.00 0.00 57.85 55.97 1nya n ARG 169 Cb 0.58 -1.73 0.00 0.00 -1.05 0.00 0.00 32.46 30.25 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 -2.82 0.00 -2.80 2.89 -0.00 -1.25 -4.98 117.00 108.03 1nya n LEU 170 Ca 0.05 0.00 -0.28 0.00 -0.00 0.00 0.00 56.01 55.77 1nya n LEU 170 Cb 0.53 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.86 1nya n LEU 170 CO 0.42 0.00 2.58 -0.90 -0.00 0.00 0.00 177.39 179.49 1nya n ASP 171 N -2.59 7.30 0.00 1.45 5.68 -1.26 -4.15 116.55 122.98 1nya n ASP 171 Ca 0.00 -2.62 0.00 0.00 -0.50 0.00 0.00 54.79 51.67 1nya n ASP 171 Cb 0.00 -1.47 0.00 0.00 -1.14 0.00 0.00 41.12 38.51 1nya n ASP 171 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39 1nya n VAL 172 N 2.89 0.00 -3.97 2.12 0.31 -1.26 -4.65 118.33 113.76 1nya n VAL 172 Ca 0.63 0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 64.58 1nya n VAL 172 Cb 0.50 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 33.44 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 -1.59 -0.98 -1.38 5.55 2.13 -1.26 -4.73 120.64 118.39 1nya n GLU 173 Ca 0.00 0.23 -0.39 0.00 0.66 0.00 0.00 57.16 57.66 1nya n GLU 173 Cb 0.00 -3.37 -0.06 0.00 0.27 0.00 0.00 31.44 28.28 1nya n GLU 173 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 1nya n LEU 174 N -4.67 3.55 0.00 4.31 0.00 -1.26 -4.03 117.00 114.91 1nya n LEU 174 Ca -0.15 -2.87 0.00 0.00 0.00 0.00 0.00 56.01 52.98 1nya n LEU 174 Cb 0.60 -1.26 0.00 0.00 0.00 0.00 0.00 43.42 42.76 1nya n LEU 174 CO 0.74 -0.94 -0.33 -0.11 0.00 0.00 0.00 177.39 176.75 1nya n LEU 175 N 9.74 0.43 0.00 -1.96 0.00 -1.26 -4.57 117.00 119.37 1nya n LEU 175 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.49 1nya n LEU 175 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.84 1nya n LEU 175 CO 0.94 -0.06 0.00 0.61 0.00 0.00 0.00 177.39 178.88