#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 -0.37 -1.58 4.28 -1.04 -1.26 -4.86 114.28 109.46 1nya n THR 2 Ca 0.00 0.00 -0.44 0.00 -2.04 0.00 0.00 64.05 61.57 1nya n THR 2 Cb 0.00 -2.27 -0.04 0.00 -1.82 0.00 0.00 70.33 66.20 1nya n THR 2 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1nya n ALA 3 N -0.00 1.62 0.08 2.41 0.00 -1.26 -4.84 120.51 118.52 1nya n ALA 3 Ca -0.21 -0.17 -0.14 0.00 0.00 0.00 0.00 53.44 52.92 1nya n ALA 3 Cb 0.67 -2.83 -0.08 0.00 0.00 0.00 0.00 19.45 17.21 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 6.97 1.44 -0.37 0.00 2.04 -1.92 -3.29 117.51 122.38 1nya h ILE 4 Ca -0.40 -2.67 -0.05 0.00 1.00 0.00 0.00 64.86 62.75 1nya h ILE 4 Cb 1.26 2.61 -0.02 0.00 -0.74 0.00 0.00 36.82 39.93 1nya h ILE 4 CO 0.97 0.79 0.04 0.00 0.00 0.00 0.00 178.15 179.94 1nya h ALA 5 N 0.69 1.38 -0.41 1.87 0.00 -1.89 -2.91 119.26 118.00 1nya h ALA 5 Ca -0.10 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.66 1nya h ALA 5 Cb 1.71 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 19.31 1nya h ALA 5 CO 0.18 0.44 0.20 1.03 0.00 0.00 0.00 179.25 181.09 1nya h SER 6 N 0.54 0.28 -0.32 0.00 0.87 -1.89 -1.38 113.55 111.65 1nya h SER 6 Ca 0.12 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 1nya h SER 6 Cb 0.29 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.21 1nya h SER 6 CO 0.01 0.21 0.20 0.44 -0.53 0.00 0.00 176.83 177.16 1nya h ASP 7 N 0.40 0.38 -0.12 6.23 5.19 -1.65 0.87 116.42 127.73 1nya h ASP 7 Ca 0.17 -0.03 -0.00 0.00 -0.62 0.00 0.00 57.03 56.55 1nya h ASP 7 Cb 0.09 -0.10 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 1nya h ASP 7 CO -0.13 0.30 0.07 -0.09 -3.12 0.00 0.00 179.24 176.27 1nya h ARG 8 N 0.43 0.16 0.00 3.56 9.65 -1.38 -2.42 114.38 124.37 1nya h ARG 8 Ca 0.12 -0.01 -0.18 0.00 -1.10 0.00 0.00 59.98 58.80 1nya h ARG 8 Cb -0.02 -0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 28.50 1nya h ARG 8 CO -0.02 0.15 -0.85 -0.07 2.80 0.00 0.00 179.97 181.98 1nya h LEU 9 N 0.13 0.00 0.08 3.80 3.38 -1.16 -3.14 115.31 118.40 1nya h LEU 9 Ca 0.04 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1nya h LEU 9 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1nya h LEU 9 CO -0.01 0.85 -0.04 0.50 0.09 0.00 0.00 178.44 179.83 1nya h LYS 10 N 0.00 -0.11 -0.42 1.13 3.11 0.93 -2.94 116.57 118.26 1nya h LYS 10 Ca -0.01 0.01 -0.02 0.00 -2.81 0.00 0.00 60.65 57.82 1nya h LYS 10 Cb 1.53 0.03 -0.02 0.00 -1.00 0.00 0.00 32.23 32.77 1nya h LYS 10 CO 0.11 -0.08 0.19 0.87 -2.81 0.00 0.00 179.45 177.74 1nya h LYS 11 N -0.12 0.62 -1.02 1.90 1.57 -1.53 -2.36 116.57 115.62 1nya h LYS 11 Ca -0.01 -0.10 0.30 0.00 -1.87 0.00 0.00 60.65 58.97 1nya h LYS 11 Cb 0.09 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.25 1nya h LYS 11 CO 0.02 0.54 0.82 0.00 -0.57 0.00 0.00 179.45 180.26 1nya h ARG 12 N 0.54 0.00 0.22 3.15 2.47 -1.47 1.52 114.38 120.82 1nya h ARG 12 Ca 0.14 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.85 1nya h ARG 12 Cb 0.14 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.46 1nya h ARG 12 CO -0.02 0.00 -0.11 0.35 0.56 0.00 0.00 179.97 180.76 1nya h PHE 13 N 0.00 -0.28 0.00 3.04 3.57 -1.27 -3.00 116.94 119.00 1nya h PHE 13 Ca 0.49 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.97 1nya h PHE 13 Cb 2.13 0.09 -0.00 0.00 2.79 0.00 0.00 35.95 40.96 1nya h PHE 13 CO 0.00 -0.17 -0.06 0.22 -2.23 0.00 0.00 178.31 176.07 1nya h ASP 14 N -0.89 0.00 1.28 0.41 3.58 -1.30 -2.22 116.42 117.28 1nya h ASP 14 Ca -0.03 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.42 1nya h ASP 14 Cb 0.23 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.28 1nya h ASP 14 CO 0.05 0.06 0.00 -0.09 -2.88 0.00 0.00 179.24 176.38 1nya h ARG 15 N 0.00 0.00 -0.27 0.28 2.43 0.21 -3.12 114.38 113.91 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 0.45 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 1nya h ARG 15 CO 0.01 0.00 0.00 0.91 -1.51 0.00 0.00 179.97 179.38 1nya n TRP 16 N -2.54 0.84 -2.59 2.20 8.01 -0.84 -4.89 117.44 117.63 1nya n TRP 16 Ca 0.03 -0.81 -0.43 0.00 -1.31 0.00 0.00 57.50 54.99 1nya n TRP 16 Cb 0.37 -0.26 -0.00 0.00 -2.01 0.00 0.00 31.31 29.41 1nya n TRP 16 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.69 177.02 1nya s ASP 17 N -1.78 6.81 0.13 -0.99 -1.08 -1.18 -4.81 116.67 113.77 1nya s ASP 17 Ca 0.38 -2.37 -0.22 0.00 -0.52 0.00 0.00 52.55 49.82 1nya s ASP 17 Cb 0.30 -2.57 -0.03 0.00 -1.46 0.00 0.00 42.92 39.16 1nya s ASP 17 CO 0.10 -1.19 1.67 -0.26 0.52 0.00 0.00 175.17 176.01 1nya h PHE 18 N 7.78 -0.40 0.00 -5.34 0.04 -1.90 -2.92 116.94 114.20 1nya h PHE 18 Ca 0.42 0.02 0.00 0.00 2.80 0.00 0.00 57.97 61.21 1nya h PHE 18 Cb 0.88 0.19 0.00 0.00 2.20 0.00 0.00 35.95 39.23 1nya h PHE 18 CO 1.40 -0.23 -1.06 -0.40 -0.60 0.00 0.00 178.31 177.43 1nya n ASP 19 N -5.30 0.68 -1.18 2.17 5.75 -1.26 -4.99 116.55 112.43 1nya n ASP 19 Ca -0.03 -0.51 -0.04 0.00 -0.01 0.00 0.00 54.79 54.20 1nya n ASP 19 Cb 0.22 0.94 0.02 0.00 -1.03 0.00 0.00 41.12 41.26 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 1.43 0.57 0.01 6.12 0.00 -1.10 -4.96 105.19 107.25 1nya n GLY 20 Ca 0.03 -0.47 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 0.05 0.62 0.00 1.61 6.94 -1.26 -4.95 115.26 118.27 1nya n ASN 21 Ca -0.01 -0.31 0.00 0.00 -0.02 0.00 0.00 54.58 54.24 1nya n ASN 21 Cb 0.52 0.47 0.00 0.00 -2.36 0.00 0.00 39.78 38.41 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 1.45 0.51 3.68 4.83 0.00 -1.26 -5.03 105.19 109.38 1nya n GLY 22 Ca 0.04 -0.88 -0.11 0.00 0.00 0.00 0.00 46.02 45.07 1nya n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nya s ALA 23 N -2.00 -0.16 -0.15 4.61 0.00 -1.26 -4.81 121.76 117.98 1nya s ALA 23 Ca 0.00 -1.04 0.01 0.00 0.00 0.00 0.00 51.96 50.94 1nya s ALA 23 Cb 0.00 0.87 0.01 0.00 0.00 0.00 0.00 23.12 24.00 1nya s ALA 23 CO 0.00 -0.91 -0.19 -0.51 0.00 0.00 0.00 175.76 174.15 1nya s LEU 24 N -3.13 2.25 0.45 0.00 1.43 -1.13 -4.85 118.68 113.70 1nya s LEU 24 Ca 0.21 -0.57 0.05 0.00 -1.03 0.00 0.00 54.13 52.79 1nya s LEU 24 Cb -0.03 -1.50 -0.05 0.00 0.03 0.00 0.00 46.19 44.64 1nya s LEU 24 CO 0.15 0.06 0.02 -0.70 0.23 0.00 0.00 176.35 176.11 1nya s GLU 25 N 0.92 2.07 0.28 1.70 2.12 -1.26 -3.05 118.70 121.49 1nya s GLU 25 Ca -0.04 -2.21 0.06 0.00 0.36 0.00 0.00 54.97 53.14 1nya s GLU 25 Cb -0.15 -1.62 0.41 0.00 0.26 0.00 0.00 34.13 33.03 1nya s GLU 25 CO -0.03 -0.19 1.67 -0.09 -0.54 0.00 0.00 175.26 176.08 1nya h ARG 26 N 1.57 0.24 0.00 4.30 2.43 -1.81 -2.60 114.38 118.51 1nya h ARG 26 Ca -0.44 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 58.61 1nya h ARG 26 Cb 1.27 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.82 1nya h ARG 26 CO 0.77 0.65 0.00 0.00 -1.51 0.00 0.00 179.97 179.88 1nya h ALA 27 N 1.34 1.00 -0.04 2.80 0.00 -1.96 -1.88 119.26 120.51 1nya h ALA 27 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 1nya h ALA 27 Cb 0.88 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1nya h ALA 27 CO 0.07 0.00 -0.56 -0.44 0.00 0.00 0.00 179.25 178.32 1nya h ASP 28 N 0.00 0.15 0.17 0.00 5.19 -1.87 -2.37 116.42 117.68 1nya h ASP 28 Ca 0.00 -0.08 -0.28 0.00 -0.62 0.00 0.00 57.03 56.05 1nya h ASP 28 Cb 0.30 -0.04 0.03 0.00 0.18 0.00 0.00 39.33 39.79 1nya h ASP 28 CO 0.00 0.68 -1.19 -0.26 -3.12 0.00 0.00 179.24 175.35 1nya h PHE 29 N 0.10 0.88 -0.86 4.55 0.04 -1.45 -2.62 116.94 117.57 1nya h PHE 29 Ca -0.00 -0.60 -0.02 0.00 2.80 0.00 0.00 57.97 60.15 1nya h PHE 29 Cb 1.02 -0.05 -0.04 0.00 2.20 0.00 0.00 35.95 39.08 1nya h PHE 29 CO 0.01 1.45 0.44 0.93 -0.60 0.00 0.00 178.31 180.54 1nya h GLU 30 N 0.06 1.22 -0.47 1.51 5.08 -1.50 -2.08 114.58 118.40 1nya h GLU 30 Ca -0.20 -0.16 -0.08 0.00 -1.00 0.00 0.00 59.36 57.92 1nya h GLU 30 Cb 1.91 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 30.91 1nya h GLU 30 CO 0.23 0.92 -0.01 -0.22 -1.00 0.00 0.00 179.01 178.92 1nya h LYS 31 N 1.22 0.85 0.15 2.33 1.63 -1.50 -2.87 116.57 118.37 1nya h LYS 31 Ca 0.30 -0.28 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 1nya h LYS 31 Cb 0.08 -0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 31.60 1nya h LYS 31 CO -0.04 0.90 -0.37 1.49 -3.45 0.00 0.00 179.45 177.98 1nya h GLU 32 N 0.70 -0.56 -0.80 1.90 4.81 -1.01 0.48 114.58 120.10 1nya h GLU 32 Ca 0.13 0.04 0.17 0.00 -0.13 0.00 0.00 59.36 59.57 1nya h GLU 32 Cb 0.53 0.13 -0.15 0.00 0.63 0.00 0.00 28.75 29.88 1nya h GLU 32 CO 0.03 -0.37 -0.14 0.00 -0.73 0.00 0.00 179.01 177.80 1nya h ALA 33 N -0.92 0.63 -0.04 2.92 0.00 -1.41 0.10 119.26 120.54 1nya h ALA 33 Ca -0.01 0.30 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 1nya h ALA 33 Cb 0.56 0.56 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 1nya h ALA 33 CO -0.16 -0.42 0.02 1.96 0.00 0.00 0.00 179.25 180.64 1nya h GLN 34 N 0.02 0.06 -0.23 0.00 7.50 -1.19 -1.49 115.11 119.79 1nya h GLN 34 Ca 0.40 -0.01 0.07 0.00 0.50 0.00 0.00 58.65 59.61 1nya h GLN 34 Cb 0.66 -0.01 -0.01 0.00 0.05 0.00 0.00 27.48 28.17 1nya h GLN 34 CO -0.79 0.16 0.34 1.25 -1.50 0.00 0.00 178.83 178.29 1nya h HIS 35 N -0.05 0.00 0.00 2.96 2.76 0.23 -1.72 115.15 119.33 1nya h HIS 35 Ca 0.01 0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.12 1nya h HIS 35 Cb 0.12 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.07 1nya h HIS 35 CO -0.04 0.00 -0.35 0.82 -1.30 0.00 0.00 177.93 177.06 1nya h ILE 36 N 0.00 1.39 -0.88 6.26 1.08 -0.34 -3.28 117.51 121.74 1nya h ILE 36 Ca 0.11 -2.18 0.23 0.00 -0.39 0.00 0.00 64.86 62.63 1nya h ILE 36 Cb 0.78 2.77 -0.14 0.00 -3.07 0.00 0.00 36.82 37.16 1nya h ILE 36 CO -0.00 0.47 0.30 0.00 -0.69 0.00 0.00 178.15 178.23 1nya h ALA 37 N -0.23 1.35 -0.76 1.87 0.00 -0.39 0.23 119.26 121.34 1nya h ALA 37 Ca -0.09 0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1nya h ALA 37 Cb 1.00 0.26 -0.04 0.00 0.00 0.00 0.00 17.79 19.01 1nya h ALA 37 CO -0.06 -0.44 0.45 0.93 0.00 0.00 0.00 179.25 180.14 1nya h GLU 38 N 0.27 1.04 0.00 0.00 5.08 -1.60 0.17 114.58 119.53 1nya h GLU 38 Ca 0.56 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.81 1nya h GLU 38 Cb 1.12 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 30.16 1nya h GLU 38 CO -0.61 0.74 -0.07 0.00 -1.00 0.00 0.00 179.01 178.07 1nya h ALA 39 N 1.24 1.81 -0.23 3.43 0.00 -0.61 -0.48 119.26 124.42 1nya h ALA 39 Ca 0.27 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1nya h ALA 39 Cb -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1nya h ALA 39 CO -0.05 0.09 0.00 1.19 0.00 0.00 0.00 179.25 180.48 1nya n PHE 40 N -4.36 0.29 -1.35 0.00 3.01 -0.77 -4.91 117.46 109.38 1nya n PHE 40 Ca -0.03 -0.14 -0.10 0.00 1.01 0.00 0.00 57.45 58.19 1nya n PHE 40 Cb 0.15 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.58 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 1.21 1.09 3.66 1.37 0.00 -0.19 -5.01 105.19 107.32 1nya n GLY 41 Ca 0.16 -0.56 -0.24 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.66 -0.42 0.00 1.61 4.01 0.52 -5.00 118.16 116.22 1nya n LYS 42 Ca -0.10 -2.38 0.00 0.00 -0.51 0.00 0.00 58.31 55.31 1nya n LYS 42 Cb 0.35 -0.83 0.00 0.00 -0.51 0.00 0.00 35.03 34.04 1nya n LYS 42 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 1nya n ASP 43 N -3.18 0.00 0.12 4.39 9.92 -1.26 -4.45 116.55 122.09 1nya n ASP 43 Ca 0.16 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.42 1nya n ASP 43 Cb 0.55 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.03 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 3.00 -0.68 2.24 0.00 -1.26 -4.36 120.51 116.45 1nya n ALA 44 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1nya n ALA 44 Cb 0.00 0.01 0.28 0.00 0.00 0.00 0.00 19.45 19.75 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 1.64 3.17 0.00 0.00 0.00 -1.26 -4.42 105.19 104.31 1nya n GLY 45 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.20 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 0.10 0.00 -0.07 4.61 0.00 -1.26 -4.81 120.51 119.07 1nya n ALA 46 Ca 0.32 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.67 1nya n ALA 46 Cb 1.19 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.58 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 0.04 -0.88 0.00 0.00 -1.97 -2.50 119.26 111.95 1nya h ALA 47 Ca 0.00 -0.42 0.17 0.00 0.00 0.00 0.00 54.91 54.66 1nya h ALA 47 Cb 0.00 0.19 -0.10 0.00 0.00 0.00 0.00 17.79 17.88 1nya h ALA 47 CO 0.00 0.19 0.44 0.93 0.00 0.00 0.00 179.25 180.81 1nya h GLU 48 N -1.00 0.55 0.07 0.00 5.08 -1.95 0.71 114.58 118.04 1nya h GLU 48 Ca -0.05 -0.03 -0.28 0.00 -1.00 0.00 0.00 59.36 58.00 1nya h GLU 48 Cb 0.59 -0.12 0.02 0.00 0.50 0.00 0.00 28.75 29.74 1nya h GLU 48 CO -0.03 0.36 -1.14 0.28 -1.00 0.00 0.00 179.01 177.48 1nya h VAL 49 N 0.57 1.31 -0.85 3.13 2.07 -1.85 -2.83 116.25 117.80 1nya h VAL 49 Ca 0.51 -2.43 -0.01 0.00 0.82 0.00 0.00 66.70 65.59 1nya h VAL 49 Cb 0.81 2.57 -0.04 0.00 -1.52 0.00 0.00 31.29 33.11 1nya h VAL 49 CO -0.42 0.74 0.49 -0.61 0.02 0.00 0.00 177.57 177.80 1nya h GLN 50 N 0.30 1.17 0.61 1.57 5.75 -0.72 -1.64 115.11 122.15 1nya h GLN 50 Ca -0.15 -0.12 -0.02 0.00 -0.15 0.00 0.00 58.65 58.21 1nya h GLN 50 Cb 1.81 -0.24 -0.01 0.00 1.07 0.00 0.00 27.48 30.11 1nya h GLN 50 CO 0.22 0.83 -0.39 1.15 -2.65 0.00 0.00 178.83 177.99 1nya h THR 51 N 1.17 0.21 0.03 2.39 2.02 0.37 0.37 112.91 119.47 1nya h THR 51 Ca 0.30 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.51 1nya h THR 51 Cb -0.02 0.21 -0.05 0.00 -1.74 0.00 0.00 68.15 66.55 1nya h THR 51 CO -0.05 0.00 -0.46 0.25 0.37 0.00 0.00 175.52 175.63 1nya h LEU 52 N -0.95 -1.40 -0.98 2.58 5.85 -1.30 -0.74 115.31 118.38 1nya h LEU 52 Ca -0.07 0.16 0.19 0.00 0.84 0.00 0.00 57.88 59.00 1nya h LEU 52 Cb 0.77 0.54 -0.11 0.00 0.37 0.00 0.00 40.66 42.23 1nya h LEU 52 CO 0.07 -0.49 0.57 0.50 -0.34 0.00 0.00 178.44 178.75 1nya h LYS 53 N -0.63 0.68 -0.97 1.25 3.11 -1.24 0.25 116.57 119.02 1nya h LYS 53 Ca 0.03 -0.04 0.05 0.00 -2.81 0.00 0.00 60.65 57.88 1nya h LYS 53 Cb 0.69 -0.15 -0.06 0.00 -1.00 0.00 0.00 32.23 31.70 1nya h LYS 53 CO -0.31 0.45 0.63 -0.97 -2.81 0.00 0.00 179.45 176.44 1nya h ASN 54 N 0.70 1.02 -0.16 4.20 -1.24 0.51 -1.09 115.58 119.52 1nya h ASN 54 Ca 0.57 0.00 -0.05 0.00 0.71 0.00 0.00 56.30 57.53 1nya h ASN 54 Cb 0.91 -0.22 -0.00 0.00 0.73 0.00 0.00 38.32 39.74 1nya h ASN 54 CO -0.40 0.67 -0.11 0.00 -1.29 0.00 0.00 177.43 176.30 1nya h ALA 55 N 1.43 0.24 -0.65 1.57 0.00 0.34 -2.96 119.26 119.22 1nya h ALA 55 Ca 0.41 -0.30 0.15 0.00 0.00 0.00 0.00 54.91 55.17 1nya h ALA 55 Cb 0.11 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1nya h ALA 55 CO -0.16 0.08 0.45 0.74 0.00 0.00 0.00 179.25 180.36 1nya h PHE 56 N 0.03 0.27 0.14 0.00 0.04 -0.46 -2.00 116.94 114.94 1nya h PHE 56 Ca 0.03 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.80 1nya h PHE 56 Cb 0.61 -0.08 0.00 0.00 2.20 0.00 0.00 35.95 38.68 1nya h PHE 56 CO 0.07 0.10 -0.06 0.78 -0.60 0.00 0.00 178.31 178.60 1nya h GLY 57 N 0.23 -0.19 2.00 -1.45 0.00 -1.04 -2.76 103.07 99.86 1nya h GLY 57 Ca 0.32 0.07 -0.02 0.00 0.00 0.00 0.00 47.33 47.69 1nya h GLY 57 CO -0.06 -0.07 -0.11 -1.33 0.00 0.00 0.00 176.54 174.97 1nya h GLY 58 N -0.30 0.00 0.84 4.60 0.00 -1.38 -2.51 103.07 104.31 1nya h GLY 58 Ca -0.02 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.35 1nya h GLY 58 CO 0.03 0.00 0.49 -2.00 0.00 0.00 0.00 176.54 175.06 1nya h LEU 59 N 0.00 0.79 -0.93 3.11 6.46 -1.16 -1.67 115.31 121.90 1nya h LEU 59 Ca -0.00 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.75 1nya h LEU 59 Cb 0.24 -0.17 -0.04 0.00 -0.73 0.00 0.00 40.66 39.96 1nya h LEU 59 CO 0.01 0.54 0.55 0.15 -0.62 0.00 0.00 178.44 179.08 1nya h PHE 60 N 0.93 1.23 -0.86 1.25 3.04 -1.42 -2.82 116.94 118.30 1nya h PHE 60 Ca 0.32 -0.01 0.18 0.00 3.98 0.00 0.00 57.97 62.44 1nya h PHE 60 Cb 0.05 -0.40 -0.16 0.00 2.56 0.00 0.00 35.95 37.99 1nya h PHE 60 CO -0.04 0.82 -0.16 0.22 -2.02 0.00 0.00 178.31 177.14 1nya h ASP 61 N 1.29 -0.71 -0.66 0.41 3.58 -1.32 0.95 116.42 119.96 1nya h ASP 61 Ca 0.33 0.25 0.01 0.00 0.42 0.00 0.00 57.03 58.05 1nya h ASP 61 Cb -0.05 0.51 -0.03 0.00 1.72 0.00 0.00 39.33 41.48 1nya h ASP 61 CO -0.06 -0.28 0.44 0.22 -2.88 0.00 0.00 179.24 176.68 1nya h TYR 62 N 0.01 0.81 0.35 0.28 5.03 -1.53 -0.17 116.97 121.77 1nya h TYR 62 Ca 0.44 0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.75 1nya h TYR 62 Cb 0.71 -0.27 0.00 0.00 1.55 0.00 0.00 36.73 38.72 1nya h TYR 62 CO -0.62 0.50 -0.17 -0.07 -1.32 0.00 0.00 178.16 176.48 1nya h LEU 63 N 0.87 -0.40 -0.22 2.82 3.38 0.82 -0.41 115.31 122.16 1nya h LEU 63 Ca 0.25 -0.12 0.04 0.00 0.09 0.00 0.00 57.88 58.13 1nya h LEU 63 Cb -0.05 0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 1nya h LEU 63 CO -0.06 -0.09 0.01 0.00 0.09 0.00 0.00 178.44 178.39 1nya h ALA 64 N -0.20 0.21 0.06 1.53 0.00 -0.82 0.38 119.26 120.41 1nya h ALA 64 Ca -0.05 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1nya h ALA 64 Cb 0.50 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1nya h ALA 64 CO 0.08 -0.41 -0.03 0.87 0.00 0.00 0.00 179.25 179.76 1nya h LYS 65 N 0.09 -0.07 -0.79 0.00 1.57 -1.06 1.16 116.57 117.47 1nya h LYS 65 Ca 0.10 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.85 1nya h LYS 65 Cb 0.12 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.42 1nya h LYS 65 CO -0.17 0.06 0.34 0.93 -0.57 0.00 0.00 179.45 180.04 1nya h GLU 66 N -0.18 1.17 0.00 3.15 4.39 -0.92 -2.82 114.58 119.36 1nya h GLU 66 Ca -0.01 -0.19 -0.13 0.00 0.34 0.00 0.00 59.36 59.36 1nya h GLU 66 Cb 0.16 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.59 1nya h GLU 66 CO 0.01 0.93 -0.63 0.00 -1.16 0.00 0.00 179.01 178.16 1nya h ALA 67 N 1.18 0.62 0.00 3.43 0.00 -0.09 -3.48 119.26 120.92 1nya h ALA 67 Ca 0.27 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1nya h ALA 67 Cb 0.17 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1nya h ALA 67 CO -0.03 0.79 0.00 0.41 0.00 0.00 0.00 179.25 180.42 1nya n GLY 68 N 1.15 0.82 3.92 0.00 0.00 0.35 -5.05 105.19 106.39 1nya n GLY 68 Ca 0.01 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.84 1nya n GLY 68 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1nya s VAL 69 N -2.00 2.75 0.70 1.61 -7.23 0.16 -4.95 120.40 111.45 1nya s VAL 69 Ca 0.00 -1.23 -0.05 0.00 -1.81 0.00 0.00 61.98 58.90 1nya s VAL 69 Cb 0.00 -2.98 0.15 0.00 0.56 0.00 0.00 36.38 34.11 1nya s VAL 69 CO 0.00 0.00 0.96 0.61 -0.31 0.00 0.00 175.10 176.36 1nya n GLY 70 N -1.66 -0.02 0.08 2.32 0.00 -1.26 -3.59 105.19 101.05 1nya n GLY 70 Ca 0.05 -1.92 0.08 0.00 0.00 0.00 0.00 46.02 44.23 1nya n GLY 70 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1nya n SER 71 N -3.19 0.34 -0.47 1.61 7.64 -1.26 -1.41 113.62 116.89 1nya n SER 71 Ca 0.14 0.63 0.06 0.00 1.01 0.00 0.00 58.87 60.71 1nya n SER 71 Cb 0.51 -0.68 0.15 0.00 -1.01 0.00 0.00 64.21 63.17 1nya n SER 71 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1nya n ASP 72 N -1.92 2.88 -1.67 6.43 5.75 -1.26 -4.46 116.55 122.30 1nya n ASP 72 Ca 0.01 -2.45 0.00 0.00 -0.01 0.00 0.00 54.79 52.33 1nya n ASP 72 Cb 0.10 -0.30 0.00 0.00 -1.03 0.00 0.00 41.12 39.89 1nya n ASP 72 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1nya n GLY 73 N -0.31 1.09 3.11 6.12 0.00 -0.50 -4.99 105.19 109.70 1nya n GLY 73 Ca 0.12 -1.98 -0.09 0.00 0.00 0.00 0.00 46.02 44.07 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 0.20 -0.03 1.61 1.04 -1.26 -4.49 113.70 109.78 1nya s SER 74 Ca 0.00 -0.56 0.06 0.00 0.48 0.00 0.00 55.95 55.93 1nya s SER 74 Cb 0.00 0.22 -0.02 0.00 0.10 0.00 0.00 66.02 66.32 1nya s SER 74 CO 0.00 -0.51 -0.22 -0.76 0.98 0.00 0.00 173.24 172.73 1nya s LEU 75 N -2.15 2.29 0.00 2.42 1.43 -1.17 -4.89 118.68 116.61 1nya s LEU 75 Ca -0.05 -0.38 -0.05 0.00 -1.03 0.00 0.00 54.13 52.63 1nya s LEU 75 Cb -0.01 -1.41 0.09 0.00 0.03 0.00 0.00 46.19 44.89 1nya s LEU 75 CO -0.05 0.33 0.56 0.35 0.23 0.00 0.00 176.35 177.78 1nya n THR 76 N 2.39 0.00 -0.03 5.49 -2.24 -1.26 -2.84 114.28 115.79 1nya n THR 76 Ca -0.16 -0.56 -0.13 0.00 -2.27 0.00 0.00 64.05 60.93 1nya n THR 76 Cb 0.51 -1.55 -0.11 0.00 -2.10 0.00 0.00 70.33 67.09 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 -0.03 -0.44 -0.78 4.81 -1.99 -2.25 114.58 113.90 1nya h GLU 77 Ca -0.18 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 59.14 1nya h GLU 77 Cb 0.56 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.92 1nya h GLU 77 CO 0.15 0.68 0.30 0.93 -0.73 0.00 0.00 179.01 180.34 1nya h GLU 78 N -0.80 0.19 -0.10 1.92 4.39 -1.99 -1.12 114.58 117.06 1nya h GLU 78 Ca -0.00 -0.01 -0.14 0.00 0.34 0.00 0.00 59.36 59.54 1nya h GLU 78 Cb 0.72 -0.04 0.01 0.00 -0.10 0.00 0.00 28.75 29.34 1nya h GLU 78 CO 0.01 0.12 -0.50 1.96 -1.16 0.00 0.00 179.01 179.44 1nya h GLN 79 N 0.19 0.51 -0.00 2.33 1.08 -1.94 -3.06 115.11 114.21 1nya h GLN 79 Ca 0.20 -0.42 0.03 0.00 -1.45 0.00 0.00 58.65 57.02 1nya h GLN 79 Cb 0.56 0.09 -0.05 0.00 -0.05 0.00 0.00 27.48 28.03 1nya h GLN 79 CO -0.03 1.05 -0.27 0.35 -0.95 0.00 0.00 178.83 178.97 1nya h PHE 80 N 0.10 -0.74 -0.23 2.96 3.57 -0.59 -0.58 116.94 121.43 1nya h PHE 80 Ca -0.03 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.55 1nya h PHE 80 Cb 1.15 0.33 -0.06 0.00 2.79 0.00 0.00 35.95 40.15 1nya h PHE 80 CO 0.12 -0.37 -0.19 0.82 -2.23 0.00 0.00 178.31 176.46 1nya h ILE 81 N -0.42 0.48 0.28 1.41 2.04 -1.49 1.31 117.51 121.13 1nya h ILE 81 Ca 0.06 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.92 1nya h ILE 81 Cb 0.50 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 1nya h ILE 81 CO -0.24 0.00 -0.25 -0.09 0.00 0.00 0.00 178.15 177.57 1nya h ARG 82 N -0.19 -0.54 -0.36 2.37 2.43 -1.38 0.20 114.38 116.92 1nya h ARG 82 Ca 0.13 0.04 -0.16 0.00 -0.81 0.00 0.00 59.98 59.18 1nya h ARG 82 Cb 0.40 0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 30.06 1nya h ARG 82 CO -0.35 -0.36 -0.40 0.28 -1.51 0.00 0.00 179.97 177.64 1nya h VAL 83 N -0.56 1.28 -0.49 0.20 2.07 -0.87 -3.08 116.25 114.79 1nya h VAL 83 Ca -0.01 -1.57 -0.02 0.00 0.82 0.00 0.00 66.70 65.91 1nya h VAL 83 Cb 0.50 1.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.70 1nya h VAL 83 CO -0.04 0.52 0.22 0.74 0.02 0.00 0.00 177.57 179.04 1nya h THR 84 N 0.70 1.20 -0.48 2.57 2.02 0.18 -2.60 112.91 116.49 1nya h THR 84 Ca 0.05 -0.58 0.09 0.00 0.77 0.00 0.00 66.41 66.75 1nya h THR 84 Cb 0.99 0.67 -0.08 0.00 -1.74 0.00 0.00 68.15 67.99 1nya h THR 84 CO 0.10 0.22 -0.01 -0.33 0.37 0.00 0.00 175.52 175.87 1nya h GLU 85 N 0.65 0.10 -0.66 6.66 5.08 -0.57 0.36 114.58 126.20 1nya h GLU 85 Ca 0.17 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.53 1nya h GLU 85 Cb 0.14 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 1nya h GLU 85 CO -0.02 0.07 0.44 -0.91 -1.00 0.00 0.00 179.01 177.58 1nya h ASN 86 N 0.10 0.75 -0.15 1.42 2.35 -1.43 0.79 115.58 119.42 1nya h ASN 86 Ca 0.24 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.97 1nya h ASN 86 Cb 0.37 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 1nya h ASN 86 CO -0.41 0.54 0.09 -0.07 -1.65 0.00 0.00 177.43 175.93 1nya h LEU 87 N 0.89 0.18 -0.14 1.61 3.38 -0.59 0.64 115.31 121.28 1nya h LEU 87 Ca 0.24 -0.05 -0.23 0.00 0.09 0.00 0.00 57.88 57.93 1nya h LEU 87 Cb -0.09 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 40.62 1nya h LEU 87 CO -0.05 0.18 -0.86 0.40 0.09 0.00 0.00 178.44 178.19 1nya h ILE 88 N 0.17 1.29 0.00 1.22 2.04 -0.72 -3.42 117.51 118.09 1nya h ILE 88 Ca 0.05 -2.09 0.00 0.00 1.00 0.00 0.00 64.86 63.82 1nya h ILE 88 Cb 0.03 2.13 0.00 0.00 -0.74 0.00 0.00 36.82 38.24 1nya h ILE 88 CO -0.01 0.65 0.00 0.49 0.00 0.00 0.00 178.15 179.28 1nya n PHE 89 N -3.89 0.00 0.00 1.37 3.72 0.27 -4.83 117.46 114.10 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 0.79 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.33 1nya n PHE 89 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1nya n GLU 90 N -0.78 1.15 -0.51 -1.08 1.02 0.22 -4.98 120.64 115.68 1nya n GLU 90 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1nya n GLU 90 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1nya n GLU 90 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 1nya n GLN 91 N 0.00 -1.46 -1.46 3.49 -0.06 -1.20 -4.43 117.38 112.25 1nya n GLN 91 Ca 0.00 1.08 -0.30 0.00 -2.00 0.00 0.00 57.00 55.77 1nya n GLN 91 Cb 0.00 -1.21 0.08 0.00 -4.06 0.00 0.00 30.24 25.06 1nya n GLN 91 CO 0.00 0.00 0.00 0.20 -0.20 0.00 0.00 177.06 177.06 1nya s GLY 92 N -2.09 1.65 0.09 1.69 0.00 -1.26 -4.95 107.32 102.44 1nya s GLY 92 Ca 0.00 -0.01 -0.31 0.00 0.00 0.00 0.00 44.72 44.40 1nya s GLY 92 CO 0.00 0.37 1.62 0.83 0.00 0.00 0.00 173.10 175.92 1nya h GLU 93 N -1.03 -0.74 0.00 2.90 4.39 -2.00 -1.92 114.58 116.18 1nya h GLU 93 Ca -0.46 0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.29 1nya h GLU 93 Cb 1.24 0.17 0.00 0.00 -0.10 0.00 0.00 28.75 30.06 1nya h GLU 93 CO 0.56 -0.50 0.00 0.00 -1.16 0.00 0.00 179.01 177.92 1nya n ALA 94 N -2.58 1.12 -0.01 3.43 0.00 -1.26 -2.30 120.51 118.91 1nya n ALA 94 Ca -0.11 0.05 -0.16 0.00 0.00 0.00 0.00 53.44 53.22 1nya n ALA 94 Cb 0.36 -1.13 -0.10 0.00 0.00 0.00 0.00 19.45 18.57 1nya n ALA 94 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1nya h SER 95 N 0.00 0.44 -0.34 0.00 0.87 -1.71 -0.79 113.55 112.02 1nya h SER 95 Ca 0.00 -0.73 -0.14 0.00 -1.23 0.00 0.00 61.79 59.70 1nya h SER 95 Cb 0.05 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 61.87 1nya h SER 95 CO 0.00 1.11 -0.33 0.15 -0.53 0.00 0.00 176.83 177.23 1nya h PHE 96 N -0.18 0.99 -0.21 2.24 3.04 -1.44 -2.79 116.94 118.60 1nya h PHE 96 Ca -0.05 -0.29 -0.13 0.00 3.98 0.00 0.00 57.97 61.48 1nya h PHE 96 Cb 1.15 -0.21 -0.01 0.00 2.56 0.00 0.00 35.95 39.44 1nya h PHE 96 CO 0.15 1.08 -0.42 -0.97 -2.02 0.00 0.00 178.31 176.13 1nya h ASN 97 N 0.61 0.52 0.62 0.41 -1.24 -1.62 0.28 115.58 115.16 1nya h ASN 97 Ca 0.06 -0.23 -0.03 0.00 0.71 0.00 0.00 56.30 56.80 1nya h ASN 97 Cb 0.91 -0.15 0.01 0.00 0.73 0.00 0.00 38.32 39.82 1nya h ASN 97 CO 0.08 0.88 -0.30 0.03 -1.29 0.00 0.00 177.43 176.84 1nya h ARG 98 N 0.40 -0.80 0.14 6.67 2.47 -1.08 0.50 114.38 122.68 1nya h ARG 98 Ca 0.03 0.05 -0.29 0.00 -1.26 0.00 0.00 59.98 58.52 1nya h ARG 98 Cb 0.91 0.18 0.00 0.00 -1.65 0.00 0.00 29.97 29.41 1nya h ARG 98 CO 0.08 -0.50 -1.36 0.28 0.56 0.00 0.00 179.97 179.03 1nya h VAL 99 N -0.95 1.37 0.00 2.04 2.07 -1.55 -3.36 116.25 115.86 1nya h VAL 99 Ca -0.09 -2.94 -0.19 0.00 0.82 0.00 0.00 66.70 64.30 1nya h VAL 99 Cb 0.68 2.90 -0.03 0.00 -1.52 0.00 0.00 31.29 33.31 1nya h VAL 99 CO 0.14 0.86 -1.37 0.25 0.02 0.00 0.00 177.57 177.47 1nya h LEU 100 N 0.08 0.00 -0.51 2.57 5.85 -0.53 -3.39 115.31 119.39 1nya h LEU 100 Ca -0.18 0.00 0.10 0.00 0.84 0.00 0.00 57.88 58.64 1nya h LEU 100 Cb 2.01 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 42.93 1nya h LEU 100 CO 0.20 0.69 -0.27 1.23 -0.34 0.00 0.00 178.44 179.95 1nya h GLY 101 N 3.60 0.01 1.69 3.75 0.00 -0.00 -1.85 103.07 110.27 1nya h GLY 101 Ca -0.17 0.35 -0.04 0.00 0.00 0.00 0.00 47.33 47.47 1nya h GLY 101 CO 0.06 -0.22 -0.03 -0.56 0.00 0.00 0.00 176.54 175.79 1nya h PRO 102 N -0.15 0.39 -0.20 4.80 0.13 -1.75 -1.77 132.00 133.45 1nya h PRO 102 Ca 0.22 -0.08 -0.19 0.00 -0.87 0.00 0.00 66.00 65.09 1nya h PRO 102 Cb 0.51 -0.06 0.01 0.00 0.13 0.00 0.00 31.00 31.59 1nya h PRO 102 CO -0.60 0.44 -0.61 -0.39 -0.23 0.00 0.00 178.00 176.62 1nya h VAL 103 N 0.37 1.30 -0.34 1.56 -1.51 -1.56 -2.33 116.25 113.74 1nya h VAL 103 Ca 0.08 -1.82 -0.14 0.00 -1.23 0.00 0.00 66.70 63.59 1nya h VAL 103 Cb 0.30 1.88 -0.01 0.00 -2.13 0.00 0.00 31.29 31.34 1nya h VAL 103 CO 0.01 0.58 -0.34 0.58 -1.23 0.00 0.00 177.57 177.17 1nya h VAL 104 N 0.49 1.28 -0.35 7.19 2.07 -1.29 -2.99 116.25 122.65 1nya h VAL 104 Ca -0.02 -1.49 0.03 0.00 0.82 0.00 0.00 66.70 66.04 1nya h VAL 104 Cb 1.23 1.38 -0.03 0.00 -1.52 0.00 0.00 31.29 32.35 1nya h VAL 104 CO 0.13 0.49 0.14 0.50 0.02 0.00 0.00 177.57 178.85 1nya h LYS 105 N 0.64 0.29 -1.02 1.57 3.64 -1.30 -1.24 116.57 119.15 1nya h LYS 105 Ca 0.07 -0.02 0.29 0.00 -1.27 0.00 0.00 60.65 59.72 1nya h LYS 105 Cb 0.87 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.59 1nya h LYS 105 CO 0.08 0.19 0.73 0.78 -2.27 0.00 0.00 179.45 178.96 1nya h GLY 106 N 0.30 0.04 1.08 5.01 0.00 -1.26 0.27 103.07 108.51 1nya h GLY 106 Ca 0.15 -0.01 -0.19 0.00 0.00 0.00 0.00 47.33 47.28 1nya h GLY 106 CO -0.14 -0.00 -0.64 -2.22 0.00 0.00 0.00 176.54 173.54 1nya h ILE 107 N 0.02 1.30 -0.77 2.60 2.04 -1.25 -3.17 117.51 118.28 1nya h ILE 107 Ca 0.49 -1.86 -0.05 0.00 1.00 0.00 0.00 64.86 64.44 1nya h ILE 107 Cb 1.92 1.95 -0.03 0.00 -0.74 0.00 0.00 36.82 39.92 1nya h ILE 107 CO -0.02 0.58 0.28 0.58 0.00 0.00 0.00 178.15 179.58 1nya h VAL 108 N 0.45 1.26 -0.94 1.67 2.07 -0.35 -2.06 116.25 118.36 1nya h VAL 108 Ca -0.03 -0.86 -0.00 0.00 0.82 0.00 0.00 66.70 66.62 1nya h VAL 108 Cb 1.26 0.37 -0.05 0.00 -1.52 0.00 0.00 31.29 31.35 1nya h VAL 108 CO 0.13 0.35 0.57 1.23 0.02 0.00 0.00 177.57 179.87 1nya h GLY 109 N 1.15 1.36 2.00 2.17 0.00 -1.35 -1.44 103.07 106.96 1nya h GLY 109 Ca 0.25 -0.56 -0.11 0.00 0.00 0.00 0.00 47.33 46.91 1nya h GLY 109 CO -0.02 0.54 -0.54 0.00 0.00 0.00 0.00 176.54 176.53 1nya h MET 110 N 1.29 0.00 0.00 4.80 -0.00 -1.48 -3.42 114.93 116.11 1nya h MET 110 Ca 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 60.04 1nya h MET 110 Cb -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.54 1nya h MET 110 CO -0.06 0.54 0.00 0.00 -0.00 0.00 0.00 176.91 177.38 1nya n ASP 112 N -0.35 0.00 -0.01 0.00 -0.08 -0.58 -4.81 116.55 110.72 1nya n ASP 112 Ca 0.00 0.00 0.14 0.00 -1.51 0.00 0.00 54.79 53.42 1nya n ASP 112 Cb 0.00 0.00 0.60 0.00 2.34 0.00 0.00 41.12 44.06 1nya n ASP 112 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1nya n LYS 113 N 0.92 0.15 0.00 -0.67 5.02 -1.26 -3.73 118.16 118.58 1nya n LYS 113 Ca 0.00 -0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 1nya n LYS 113 Cb 0.00 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.51 1nya n LYS 113 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1nya n ASN 114 N -1.41 0.52 -3.54 4.39 0.23 -1.26 -5.05 115.26 109.15 1nya n ASN 114 Ca 0.09 -0.95 -0.25 0.00 -0.53 0.00 0.00 54.58 52.94 1nya n ASN 114 Cb 0.31 0.04 0.04 0.00 -2.08 0.00 0.00 39.78 38.10 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 -0.04 -2.55 -0.01 -2.53 0.00 -1.24 -4.92 120.51 109.21 1nya n ALA 115 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1nya n ALA 115 Cb 0.10 -4.04 0.00 0.00 0.00 0.00 0.00 19.45 15.51 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 -2.69 0.13 0.00 0.00 5.68 -1.26 -5.01 116.55 113.40 1nya n ASP 116 Ca -0.09 -0.54 0.00 0.00 -0.50 0.00 0.00 54.79 53.66 1nya n ASP 116 Cb 0.59 0.79 0.00 0.00 -1.14 0.00 0.00 41.12 41.36 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 0.79 0.59 3.52 6.12 0.00 -1.26 -5.03 105.19 109.91 1nya n GLY 117 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.01 1.75 -0.45 1.61 -0.21 -1.26 -4.53 119.66 116.56 1nya s GLN 118 Ca 0.00 -1.91 -0.07 0.00 0.02 0.00 0.00 55.36 53.40 1nya s GLN 118 Cb 0.00 -1.50 0.11 0.00 1.00 0.00 0.00 33.01 32.62 1nya s GLN 118 CO 0.00 0.07 0.29 0.42 -2.12 0.00 0.00 175.29 173.95 1nya s ILE 119 N -2.77 3.88 0.42 1.08 -1.09 0.17 -4.94 121.20 117.95 1nya s ILE 119 Ca 0.32 -1.86 -0.09 0.00 -2.23 0.00 0.00 60.65 56.79 1nya s ILE 119 Cb 0.04 -3.57 -0.06 0.00 -1.58 0.00 0.00 42.46 37.29 1nya s ILE 119 CO 0.15 -0.73 0.77 0.20 -1.23 0.00 0.00 174.94 174.11 1nya s ASN 120 N 2.34 6.45 0.42 3.58 -0.87 -1.26 -0.90 114.94 124.70 1nya s ASN 120 Ca 0.06 1.08 0.23 0.00 -1.57 0.00 0.00 52.86 52.66 1nya s ASN 120 Cb -0.25 -2.30 1.21 0.00 -0.02 0.00 0.00 41.25 39.89 1nya s ASN 120 CO -0.02 -0.44 1.74 0.00 -2.57 0.00 0.00 177.10 175.81 1nya h ALA 121 N 1.00 2.42 -0.10 0.60 0.00 -1.99 1.09 119.26 122.29 1nya h ALA 121 Ca -0.47 0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.38 1nya h ALA 121 Cb 1.19 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1nya h ALA 121 CO 0.63 -0.87 -0.51 -0.44 0.00 0.00 0.00 179.25 178.06 1nya h ASP 122 N 0.29 0.29 0.03 0.00 3.32 -1.98 -1.71 116.42 116.66 1nya h ASP 122 Ca 0.65 -0.15 -0.09 0.00 0.02 0.00 0.00 57.03 57.46 1nya h ASP 122 Cb 1.82 -0.08 0.01 0.00 0.22 0.00 0.00 39.33 41.30 1nya h ASP 122 CO -0.31 0.75 -0.36 -0.33 -1.72 0.00 0.00 179.24 177.28 1nya h GLU 123 N 0.21 0.19 -0.26 3.56 5.08 0.62 -3.16 114.58 120.83 1nya h GLU 123 Ca 0.01 -0.25 0.04 0.00 -1.00 0.00 0.00 59.36 58.16 1nya h GLU 123 Cb 0.97 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.26 1nya h GLU 123 CO 0.08 1.02 0.02 0.35 -1.00 0.00 0.00 179.01 179.48 1nya h PHE 124 N -0.52 0.02 -0.62 4.33 3.57 -0.20 -2.68 116.94 120.85 1nya h PHE 124 Ca -0.05 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.53 1nya h PHE 124 Cb 1.17 0.03 -0.05 0.00 2.79 0.00 0.00 35.95 39.88 1nya h PHE 124 CO 0.20 -0.02 0.32 0.00 -2.23 0.00 0.00 178.31 176.58 1nya h ALA 125 N 1.21 0.82 -0.62 2.41 0.00 -1.43 -1.23 119.26 120.41 1nya h ALA 125 Ca 0.12 0.03 0.15 0.00 0.00 0.00 0.00 54.91 55.20 1nya h ALA 125 Cb 0.14 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1nya h ALA 125 CO -0.19 -0.02 0.43 0.00 0.00 0.00 0.00 179.25 179.47 1nya h ALA 126 N 1.34 2.30 0.11 0.00 0.00 -1.44 -1.15 119.26 120.42 1nya h ALA 126 Ca 0.28 -0.01 -0.34 0.00 0.00 0.00 0.00 54.91 54.84 1nya h ALA 126 Cb 0.20 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1nya h ALA 126 CO -0.19 -0.47 -1.84 2.35 0.00 0.00 0.00 179.25 179.10 1nya h TRP 127 N 0.20 0.41 -0.63 0.00 7.01 -1.30 -2.99 115.95 118.66 1nya h TRP 127 Ca 0.30 -0.30 -0.01 0.00 2.11 0.00 0.00 58.89 60.99 1nya h TRP 127 Cb 0.90 -0.02 -0.03 0.00 -2.10 0.00 0.00 29.16 27.91 1nya h TRP 127 CO -0.00 1.55 0.37 -0.07 -2.79 0.00 0.00 178.44 177.50 1nya h LEU 128 N 0.06 0.77 -0.70 0.65 3.38 -0.73 -1.91 115.31 116.83 1nya h LEU 128 Ca -0.36 -0.07 -0.13 0.00 0.09 0.00 0.00 57.88 57.41 1nya h LEU 128 Cb 2.04 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 42.57 1nya h LEU 128 CO 0.11 0.62 -0.60 0.74 0.09 0.00 0.00 178.44 179.40 1nya h THR 129 N 0.85 1.33 -0.50 0.22 2.02 -1.36 -0.70 112.91 114.77 1nya h THR 129 Ca 0.22 -2.12 -0.04 0.00 0.77 0.00 0.00 66.41 65.25 1nya h THR 129 Cb 0.00 2.17 -0.02 0.00 -1.74 0.00 0.00 68.15 68.56 1nya h THR 129 CO -0.04 0.59 0.14 0.00 0.37 0.00 0.00 175.52 176.58 1nya h ALA 130 N 1.40 1.31 -0.00 6.16 0.00 -1.21 -2.07 119.26 124.85 1nya h ALA 130 Ca -0.01 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1nya h ALA 130 Cb 1.13 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1nya h ALA 130 CO 0.08 0.50 -0.07 1.28 0.00 0.00 0.00 179.25 181.04 1nya n LEU 131 N -4.30 0.30 0.00 0.00 4.77 -0.80 -4.88 117.00 112.09 1nya n LEU 131 Ca 0.04 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 1nya n LEU 131 Cb 0.20 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 1nya n LEU 131 CO 0.39 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 1nya n GLY 132 N 1.26 1.62 3.94 -0.72 0.00 -0.78 -5.00 105.19 105.52 1nya n GLY 132 Ca 0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 1nya n GLY 132 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1nya s MET 133 N -0.09 3.46 0.68 1.61 -1.94 -0.28 -4.99 119.30 117.75 1nya s MET 133 Ca 0.00 -0.57 -0.10 0.00 -1.71 0.00 0.00 55.69 53.31 1nya s MET 133 Cb 0.00 -2.92 0.02 0.00 2.01 0.00 0.00 34.83 33.94 1nya s MET 133 CO 0.00 0.47 1.05 -1.12 -0.01 0.00 0.00 175.02 175.41 1nya s SER 134 N -3.35 5.42 0.53 3.03 0.01 -1.26 -3.97 113.70 114.10 1nya s SER 134 Ca 0.35 0.99 0.30 0.00 1.31 0.00 0.00 55.95 58.91 1nya s SER 134 Cb -0.11 -1.82 1.43 0.00 0.21 0.00 0.00 66.02 65.74 1nya s SER 134 CO 0.29 -1.31 2.03 0.07 0.41 0.00 0.00 173.24 174.74 1nya h LYS 135 N -0.55 0.00 0.00 12.44 2.10 -1.97 -2.20 116.57 126.39 1nya h LYS 135 Ca -0.45 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.07 1nya h LYS 135 Cb 1.26 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.57 1nya h LYS 135 CO 0.63 0.10 -0.65 0.00 -2.00 0.00 0.00 179.45 177.53 1nya h ALA 136 N 1.90 0.59 -0.11 0.07 0.00 -2.01 -3.30 119.26 116.39 1nya h ALA 136 Ca -0.00 -0.58 -0.21 0.00 0.00 0.00 0.00 54.91 54.11 1nya h ALA 136 Cb 0.43 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.13 1nya h ALA 136 CO 0.01 0.79 -0.79 0.93 0.00 0.00 0.00 179.25 180.20 1nya h GLU 137 N 0.00 0.66 0.87 0.00 3.07 -1.77 -3.12 114.58 114.28 1nya h GLU 137 Ca -0.01 -0.55 -0.04 0.00 -0.50 0.00 0.00 59.36 58.26 1nya h GLU 137 Cb 1.49 0.12 0.01 0.00 -0.84 0.00 0.00 28.75 29.53 1nya h GLU 137 CO 0.08 1.17 -0.43 0.00 -1.40 0.00 0.00 179.01 178.43 1nya h ALA 138 N 0.67 -1.18 -0.91 3.43 0.00 -1.62 0.11 119.26 119.76 1nya h ALA 138 Ca -0.05 -0.26 0.23 0.00 0.00 0.00 0.00 54.91 54.83 1nya h ALA 138 Cb 1.40 0.47 -0.13 0.00 0.00 0.00 0.00 17.79 19.54 1nya h ALA 138 CO 0.15 -1.17 0.42 0.00 0.00 0.00 0.00 179.25 178.65 1nya h ALA 139 N -1.04 1.49 0.01 0.00 0.00 -1.67 0.37 119.26 118.41 1nya h ALA 139 Ca -0.12 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1nya h ALA 139 Cb 0.91 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1nya h ALA 139 CO 0.19 -0.35 -0.00 1.49 0.00 0.00 0.00 179.25 180.57 1nya h GLU 140 N 0.41 -0.01 -0.60 0.00 4.81 -1.43 -3.11 114.58 114.65 1nya h GLU 140 Ca 0.58 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.77 1nya h GLU 140 Cb 1.11 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.46 1nya h GLU 140 CO -0.53 0.47 0.22 0.00 -0.73 0.00 0.00 179.01 178.44 1nya h ALA 141 N 0.50 1.26 0.38 2.92 0.00 0.22 -2.51 119.26 122.04 1nya h ALA 141 Ca -0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1nya h ALA 141 Cb 0.48 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1nya h ALA 141 CO 0.00 0.53 -0.52 0.35 0.00 0.00 0.00 179.25 179.62 1nya h PHE 142 N 0.86 -1.45 -0.59 0.00 3.57 -0.34 -1.91 116.94 117.08 1nya h PHE 142 Ca 0.20 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.77 1nya h PHE 142 Cb 0.20 0.58 -0.03 0.00 2.79 0.00 0.00 35.95 39.49 1nya h PHE 142 CO 0.01 -0.65 0.39 -0.91 -2.23 0.00 0.00 178.31 174.92 1nya h ASN 143 N -0.93 0.53 -0.06 0.41 -0.26 -1.46 -1.69 115.58 112.11 1nya h ASN 143 Ca -0.05 -0.00 -0.08 0.00 -0.56 0.00 0.00 56.30 55.61 1nya h ASN 143 Cb 0.84 -0.12 -0.01 0.00 -1.06 0.00 0.00 38.32 37.97 1nya h ASN 143 CO -0.14 0.35 -0.20 1.56 -1.06 0.00 0.00 177.43 177.94 1nya h GLN 144 N 0.60 0.45 0.02 0.81 4.20 -1.00 -3.12 115.11 117.08 1nya h GLN 144 Ca 0.25 -0.15 -0.26 0.00 0.06 0.00 0.00 58.65 58.55 1nya h GLN 144 Cb 0.22 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.93 1nya h GLN 144 CO -0.07 0.63 -1.35 0.28 -0.67 0.00 0.00 178.83 177.65 1nya h VAL 145 N 0.41 1.30 -0.12 -0.54 2.07 -0.70 -3.42 116.25 115.25 1nya h VAL 145 Ca 0.07 -3.05 -0.13 0.00 0.82 0.00 0.00 66.70 64.41 1nya h VAL 145 Cb 0.58 2.68 0.01 0.00 -1.52 0.00 0.00 31.29 33.05 1nya h VAL 145 CO 0.04 0.78 0.36 0.47 0.02 0.00 0.00 177.57 179.24 1nya n ASP 146 N -3.27 1.55 -0.06 0.57 8.00 -0.70 -4.69 116.55 117.94 1nya n ASP 146 Ca -0.09 -2.52 0.11 0.00 0.71 0.00 0.00 54.79 52.99 1nya n ASP 146 Cb 1.00 -1.57 0.49 0.00 -0.02 0.00 0.00 41.12 41.02 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 6.37 0.93 -0.42 -3.53 2.02 -1.85 -1.53 112.91 114.90 1nya h THR 147 Ca 0.07 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.10 1nya h THR 147 Cb 0.95 0.47 0.00 0.00 -1.74 0.00 0.00 68.15 67.82 1nya h THR 147 CO 1.18 0.08 0.00 -0.46 0.37 0.00 0.00 175.52 176.69 1nya n ASN 148 N -4.47 3.21 -2.87 4.18 0.23 -1.26 -4.94 115.26 109.33 1nya n ASN 148 Ca 0.09 -1.96 -0.08 0.00 -0.53 0.00 0.00 54.58 52.09 1nya n ASN 148 Cb 0.32 -0.27 -0.01 0.00 -2.08 0.00 0.00 39.78 37.73 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 1.46 -0.48 0.21 4.83 0.00 -0.58 -4.74 105.19 105.89 1nya n GLY 149 Ca 0.19 0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.36 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 -1.69 0.87 0.00 1.61 6.94 -1.26 -4.92 115.26 116.80 1nya n ASN 150 Ca 0.02 -0.79 0.00 0.00 -0.02 0.00 0.00 54.58 53.78 1nya n ASN 150 Cb 0.50 0.08 0.00 0.00 -2.36 0.00 0.00 39.78 37.99 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 1.33 0.76 2.95 4.83 0.00 -1.26 -5.04 105.19 108.75 1nya n GLY 151 Ca 0.13 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 -0.42 0.69 -0.50 1.61 2.02 -1.26 -4.57 118.70 116.26 1nya s GLU 152 Ca 0.00 -0.19 -0.12 0.00 0.02 0.00 0.00 54.97 54.68 1nya s GLU 152 Cb 0.00 -0.68 0.12 0.00 0.10 0.00 0.00 34.13 33.67 1nya s GLU 152 CO 0.00 0.05 0.41 -0.51 0.02 0.00 0.00 175.26 175.23 1nya s LEU 153 N 0.31 5.88 0.64 1.80 1.43 -0.07 -4.94 118.68 123.73 1nya s LEU 153 Ca -0.04 -1.81 -0.03 0.00 -1.03 0.00 0.00 54.13 51.23 1nya s LEU 153 Cb -0.08 -2.11 0.06 0.00 0.03 0.00 0.00 46.19 44.09 1nya s LEU 153 CO 0.00 -0.75 0.91 -0.44 0.23 0.00 0.00 176.35 176.30 1nya s SER 154 N 3.04 4.91 0.25 2.29 0.01 -1.26 0.42 113.70 123.36 1nya s SER 154 Ca 0.04 0.13 -0.04 0.00 1.31 0.00 0.00 55.95 57.39 1nya s SER 154 Cb -0.28 -0.83 0.48 0.00 0.21 0.00 0.00 66.02 65.60 1nya s SER 154 CO 0.01 -1.46 1.69 -0.07 0.41 0.00 0.00 173.24 173.83 1nya h LEU 155 N -0.31 0.07 0.05 2.44 3.38 -1.98 -1.01 115.31 117.95 1nya h LEU 155 Ca -0.42 0.14 0.01 0.00 0.09 0.00 0.00 57.88 57.70 1nya h LEU 155 Cb 1.30 0.18 -0.02 0.00 0.09 0.00 0.00 40.66 42.21 1nya h LEU 155 CO 0.53 -0.02 -0.10 0.44 0.09 0.00 0.00 178.44 179.38 1nya h ASP 156 N 0.30 -0.29 0.35 -0.43 5.19 -1.98 -2.10 116.42 117.46 1nya h ASP 156 Ca 0.43 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.87 1nya h ASP 156 Cb 0.72 0.11 0.00 0.00 0.18 0.00 0.00 39.33 40.34 1nya h ASP 156 CO -0.50 -0.16 0.00 -0.33 -3.12 0.00 0.00 179.24 175.14 1nya h GLU 157 N -0.21 0.00 0.00 3.56 5.08 -1.63 -2.04 114.58 119.35 1nya h GLU 157 Ca 0.02 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.26 1nya h GLU 157 Cb 0.22 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 1nya h GLU 157 CO -0.07 0.00 -0.58 -0.07 -1.00 0.00 0.00 179.01 177.29 1nya h LEU 158 N 0.00 0.00 0.01 1.33 3.38 -0.51 -3.14 115.31 116.37 1nya h LEU 158 Ca 0.00 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.70 1nya h LEU 158 Cb 0.18 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.94 1nya h LEU 158 CO 0.00 0.58 -1.12 -0.07 0.09 0.00 0.00 178.44 177.92 1nya h LEU 159 N 0.00 0.70 -1.95 1.67 3.38 -1.31 -3.16 115.31 114.65 1nya h LEU 159 Ca -0.01 -0.62 0.13 0.00 0.09 0.00 0.00 57.88 57.47 1nya h LEU 159 Cb 1.03 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 1nya h LEU 159 CO 0.08 1.44 0.47 0.74 0.09 0.00 0.00 178.44 181.25 1nya h THR 160 N 0.25 0.36 0.38 0.22 2.02 -1.50 -1.78 112.91 112.87 1nya h THR 160 Ca -0.14 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.02 1nya h THR 160 Cb 1.79 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 68.82 1nya h THR 160 CO 0.20 0.00 -0.18 0.00 0.37 0.00 0.00 175.52 175.91 1nya h ALA 161 N 1.47 -0.78 -0.13 6.16 0.00 -1.61 -3.12 119.26 121.25 1nya h ALA 161 Ca 0.21 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.04 1nya h ALA 161 Cb 1.15 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 1nya h ALA 161 CO -0.00 -0.74 0.36 -0.24 0.00 0.00 0.00 179.25 178.63 1nya h VAL 162 N -0.73 0.13 -1.75 0.00 3.04 -1.47 -2.85 116.25 112.62 1nya h VAL 162 Ca -0.05 0.00 0.53 0.00 -1.01 0.00 0.00 66.70 66.16 1nya h VAL 162 Cb 0.40 0.67 -0.09 0.00 -2.01 0.00 0.00 31.29 30.25 1nya h VAL 162 CO 0.09 0.00 1.24 -1.14 -1.01 0.00 0.00 177.57 176.74 1nya n ARG 163 N -3.17 -0.01 -3.63 4.17 0.63 -0.79 -4.40 116.66 109.46 1nya n ARG 163 Ca 0.01 1.08 -0.12 0.00 -0.92 0.00 0.00 57.85 57.90 1nya n ARG 163 Cb 0.45 -2.39 -0.07 0.00 0.45 0.00 0.00 32.46 30.90 1nya n ARG 163 CO 0.00 0.00 0.00 0.16 -2.51 0.00 0.00 177.63 175.28 1nya s ASP 164 N -3.97 -0.65 -0.01 6.15 1.47 -1.08 -4.74 116.67 113.83 1nya s ASP 164 Ca -0.05 1.26 0.00 0.00 1.18 0.00 0.00 52.55 54.94 1nya s ASP 164 Cb 0.27 1.27 0.02 0.00 -0.34 0.00 0.00 42.92 44.14 1nya s ASP 164 CO 0.84 -0.22 0.32 2.22 0.68 0.00 0.00 175.17 179.01 1nya n PHE 165 N 2.58 -0.08 -0.11 2.11 -1.74 -1.26 -4.83 117.46 114.14 1nya n PHE 165 Ca -0.14 -0.08 -0.17 0.00 -0.56 0.00 0.00 57.45 56.50 1nya n PHE 165 Cb 0.55 0.44 -0.06 0.00 1.52 0.00 0.00 39.48 41.94 1nya n PHE 165 CO 0.00 0.00 0.00 0.72 -0.56 0.00 0.00 176.76 176.92 1nya n HIS 166 N -0.06 0.00 -2.12 2.97 8.25 -1.26 -4.67 115.22 118.34 1nya n HIS 166 Ca -0.02 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.03 1nya n HIS 166 Cb 0.40 -0.69 -0.00 0.00 1.12 0.00 0.00 29.99 30.83 1nya n HIS 166 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1nya n PHE 167 N -4.33 2.75 -2.90 4.41 3.01 -1.26 -4.07 117.46 115.06 1nya n PHE 167 Ca -0.30 -2.82 -0.00 0.00 1.01 0.00 0.00 57.45 55.33 1nya n PHE 167 Cb 0.66 -1.93 -0.00 0.00 -0.01 0.00 0.00 39.48 38.20 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 2.35 -2.59 0.00 1.37 0.00 -1.26 -4.99 105.19 100.07 1nya n GLY 168 Ca 0.52 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.92 1nya n GLY 168 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1nya n ARG 169 N 1.09 0.00 0.00 1.61 0.00 -1.26 -5.04 116.66 113.06 1nya n ARG 169 Ca -0.03 0.14 0.00 0.00 -0.00 0.00 0.00 57.85 57.96 1nya n ARG 169 Cb 0.23 -0.69 0.00 0.00 0.00 0.00 0.00 32.46 32.00 1nya n ARG 169 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.63 179.10 1nya n LEU 170 N -0.93 0.00 -1.46 6.15 -0.00 -1.26 -5.00 117.00 114.50 1nya n LEU 170 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 55.91 1nya n LEU 170 Cb 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 43.42 43.52 1nya n LEU 170 CO 0.00 0.00 0.24 0.47 -0.00 0.00 0.00 177.39 178.10 1nya n ASP 171 N -0.10 3.35 -2.21 1.45 8.00 -1.26 -5.03 116.55 120.75 1nya n ASP 171 Ca 0.00 -3.68 -0.04 0.00 0.71 0.00 0.00 54.79 51.78 1nya n ASP 171 Cb 0.00 -0.42 -0.03 0.00 -0.02 0.00 0.00 41.12 40.65 1nya n ASP 171 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1nya n VAL 172 N -0.83 -9.88 0.00 2.53 0.31 -1.26 -4.97 118.33 104.24 1nya n VAL 172 Ca 0.31 1.97 0.00 0.00 -0.01 0.00 0.00 64.34 66.61 1nya n VAL 172 Cb 0.85 -5.56 0.00 0.00 -0.91 0.00 0.00 33.84 28.23 1nya n VAL 172 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1nya n GLU 173 N 1.19 0.00 -0.08 5.55 4.71 -1.26 -4.84 120.64 125.91 1nya n GLU 173 Ca -0.26 0.00 -0.10 0.00 -0.01 0.00 0.00 57.16 56.78 1nya n GLU 173 Cb 0.41 -0.80 0.10 0.00 -1.01 0.00 0.00 31.44 30.14 1nya n GLU 173 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1nya n LEU 174 N -0.33 0.00 -4.25 -4.62 4.77 -1.26 -4.93 117.00 106.37 1nya n LEU 174 Ca 0.00 -0.30 -0.30 0.00 -0.03 0.00 0.00 56.01 55.38 1nya n LEU 174 Cb 0.00 -0.34 0.19 0.00 -2.33 0.00 0.00 43.42 40.94 1nya n LEU 174 CO 0.00 -1.95 -0.33 0.00 -1.33 0.00 0.00 177.39 173.77 1nya n LEU 175 N 0.00 -2.09 0.00 2.23 -0.00 -1.26 -5.07 117.00 110.80 1nya n LEU 175 Ca 0.05 -0.22 0.00 0.00 -0.00 0.00 0.00 56.01 55.84 1nya n LEU 175 Cb 0.20 -0.96 0.00 0.00 -0.00 0.00 0.00 43.42 42.67 1nya n LEU 175 CO 0.13 -3.20 0.00 0.61 -0.00 0.00 0.00 177.39 174.93