#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nue s ASN 3 N 0.00 6.34 1.24 0.00 2.47 -1.26 -4.98 114.94 118.75 1nue s ASN 3 Ca 0.00 -1.09 -0.17 0.00 0.42 0.00 0.00 52.86 52.02 1nue s ASN 3 Cb 0.00 -2.52 0.30 0.00 -1.45 0.00 0.00 41.25 37.58 1nue s ASN 3 CO 0.00 -1.57 1.02 -0.76 -3.72 0.00 0.00 177.10 172.07 1nue s LEU 4 N 4.85 0.23 0.62 3.21 1.43 -1.26 -5.02 118.68 122.75 1nue s LEU 4 Ca 0.37 1.08 -0.17 0.00 -1.03 0.00 0.00 54.13 54.37 1nue s LEU 4 Cb -0.06 -2.83 -0.02 0.00 0.03 0.00 0.00 46.19 43.32 1nue s LEU 4 CO 0.02 -4.45 1.16 -0.70 0.23 0.00 0.00 176.35 172.61 1nue s GLU 5 N -4.90 2.89 0.08 1.70 2.12 -1.23 -4.78 118.70 114.58 1nue s GLU 5 Ca 0.69 1.64 0.02 0.00 0.36 0.00 0.00 54.97 57.67 1nue s GLU 5 Cb -0.18 -1.94 -0.03 0.00 0.26 0.00 0.00 34.13 32.24 1nue s GLU 5 CO 0.60 -1.23 -0.08 1.03 -0.54 0.00 0.00 175.26 175.05 1nue s ARG 6 N -3.63 0.73 0.03 4.30 0.52 -1.26 -0.66 118.95 118.98 1nue s ARG 6 Ca 0.73 -1.09 -0.01 0.00 -0.52 0.00 0.00 55.73 54.83 1nue s ARG 6 Cb -0.26 -0.31 -0.02 0.00 0.52 0.00 0.00 34.95 34.88 1nue s ARG 6 CO 0.36 0.03 -0.02 -0.08 0.02 0.00 0.00 175.30 175.61 1nue s THR 7 N -2.58 0.14 -0.22 0.02 -1.32 -0.32 -4.67 115.64 106.68 1nue s THR 7 Ca 0.03 -1.13 -0.12 0.00 -1.21 0.00 0.00 61.69 59.25 1nue s THR 7 Cb -0.02 -0.61 -0.05 0.00 -1.51 0.00 0.00 72.50 70.31 1nue s THR 7 CO -0.02 -0.63 0.23 0.12 -2.21 0.00 0.00 174.62 172.12 1nue s PHE 8 N -2.13 3.36 -0.05 9.09 5.36 -1.26 -1.71 117.98 130.63 1nue s PHE 8 Ca -0.10 0.38 0.05 0.00 -0.96 0.00 0.00 56.93 56.30 1nue s PHE 8 Cb -0.05 -2.33 -0.00 0.00 -0.34 0.00 0.00 43.02 40.30 1nue s PHE 8 CO -0.03 0.09 -0.19 0.42 -1.46 0.00 0.00 175.22 174.04 1nue s ILE 9 N 0.98 1.62 -0.06 3.12 -1.09 -0.37 -1.95 121.20 123.45 1nue s ILE 9 Ca 0.11 -0.82 0.01 0.00 -2.23 0.00 0.00 60.65 57.73 1nue s ILE 9 Cb -0.13 -1.39 0.02 0.00 -1.58 0.00 0.00 42.46 39.38 1nue s ILE 9 CO 0.04 0.46 -0.08 0.00 -1.23 0.00 0.00 174.94 174.14 1nue s ALA 10 N 0.04 0.94 -0.27 9.38 0.00 0.05 -1.09 121.76 130.81 1nue s ALA 10 Ca -0.05 -0.22 -0.22 0.00 0.00 0.00 0.00 51.96 51.47 1nue s ALA 10 Cb -0.13 -0.51 -0.01 0.00 0.00 0.00 0.00 23.12 22.47 1nue s ALA 10 CO 0.03 0.00 0.70 0.42 0.00 0.00 0.00 175.76 176.91 1nue s ILE 11 N 0.89 4.91 0.88 0.00 1.01 -0.25 0.23 121.20 128.87 1nue s ILE 11 Ca -0.11 1.18 -0.11 0.00 0.00 0.00 0.00 60.65 61.61 1nue s ILE 11 Cb -0.15 -4.02 0.12 0.00 0.01 0.00 0.00 42.46 38.42 1nue s ILE 11 CO 0.01 -0.08 1.09 -0.54 0.00 0.00 0.00 174.94 175.43 1nue s LYS 12 N 2.68 1.38 0.30 2.79 1.02 0.27 -2.22 119.74 125.96 1nue s LYS 12 Ca 0.29 0.89 0.06 0.00 0.02 0.00 0.00 55.97 57.22 1nue s LYS 12 Cb -0.15 -1.82 0.76 0.00 -0.52 0.00 0.00 37.83 36.11 1nue s LYS 12 CO 0.10 -2.18 1.74 -1.35 -0.92 0.00 0.00 175.35 172.74 1nue h PRO 13 N -1.50 0.59 -0.16 -1.68 0.11 -1.86 0.35 132.00 127.85 1nue h PRO 13 Ca -0.49 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.54 1nue h PRO 13 Cb 1.28 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1nue h PRO 13 CO 0.54 0.39 -0.14 0.38 -0.21 0.00 0.00 178.00 178.96 1nue h ASP 14 N 0.61 0.23 -0.14 -2.05 2.03 -1.89 -0.69 116.42 114.51 1nue h ASP 14 Ca 0.58 -0.05 -0.10 0.00 -0.73 0.00 0.00 57.03 56.73 1nue h ASP 14 Cb 1.02 -0.06 -0.01 0.00 -0.83 0.00 0.00 39.33 39.44 1nue h ASP 14 CO -0.44 0.40 -0.23 1.23 -1.03 0.00 0.00 179.24 179.16 1nue h GLY 15 N 0.76 0.64 0.42 7.15 0.00 -1.11 -0.69 103.07 110.24 1nue h GLY 15 Ca 0.05 -0.52 -0.00 0.00 0.00 0.00 0.00 47.33 46.85 1nue h GLY 15 CO 0.02 0.48 -0.02 -2.08 0.00 0.00 0.00 176.54 174.94 1nue h VAL 16 N 0.52 1.31 -0.56 4.60 2.07 -1.29 -1.03 116.25 121.87 1nue h VAL 16 Ca 0.08 -1.28 0.05 0.00 0.82 0.00 0.00 66.70 66.37 1nue h VAL 16 Cb 0.68 2.14 -0.03 0.00 -1.52 0.00 0.00 31.29 32.55 1nue h VAL 16 CO 0.05 0.32 0.37 1.56 0.02 0.00 0.00 177.57 179.89 1nue h GLN 17 N -0.64 0.55 -0.38 1.57 1.08 -1.09 -1.18 115.11 115.02 1nue h GLN 17 Ca -0.01 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 1nue h GLN 17 Cb 0.56 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 27.87 1nue h GLN 17 CO 0.01 0.36 0.00 0.54 -0.95 0.00 0.00 178.83 178.79 1nue n ARG 18 N -4.47 1.87 -3.41 1.46 1.74 -0.27 -4.94 116.66 108.63 1nue n ARG 18 Ca 0.07 -1.24 -0.20 0.00 -0.77 0.00 0.00 57.85 55.72 1nue n ARG 18 Cb 0.20 -1.31 0.07 0.00 -1.02 0.00 0.00 32.46 30.40 1nue n ARG 18 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1nue n GLY 19 N 0.98 -0.33 0.58 -0.13 0.00 -0.44 -4.94 105.19 100.90 1nue n GLY 19 Ca 0.11 0.11 0.06 0.00 0.00 0.00 0.00 46.02 46.30 1nue n GLY 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1nue n LEU 20 N -4.28 2.99 0.16 0.99 4.77 -0.40 -4.70 117.00 116.53 1nue n LEU 20 Ca -0.05 -2.27 -0.14 0.00 -0.03 0.00 0.00 56.01 53.52 1nue n LEU 20 Cb 0.57 -0.28 -0.08 0.00 -2.33 0.00 0.00 43.42 41.31 1nue n LEU 20 CO 0.56 0.69 0.72 0.58 -1.33 0.00 0.00 177.39 178.61 1nue h VAL 21 N 1.61 0.76 -0.75 4.08 2.07 -1.88 -1.93 116.25 120.21 1nue h VAL 21 Ca 0.00 -0.19 -0.04 0.00 0.82 0.00 0.00 66.70 67.28 1nue h VAL 21 Cb 0.87 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 31.47 1nue h VAL 21 CO 0.05 0.04 0.30 1.23 0.02 0.00 0.00 177.57 179.21 1nue h GLY 22 N -0.47 1.19 1.01 2.17 0.00 -1.96 -1.55 103.07 103.46 1nue h GLY 22 Ca -0.04 -0.65 0.01 0.00 0.00 0.00 0.00 47.33 46.65 1nue h GLY 22 CO 0.06 0.61 0.53 -2.09 0.00 0.00 0.00 176.54 175.65 1nue h GLU 23 N 1.07 1.07 -0.10 4.80 4.57 -1.85 -1.09 114.58 123.05 1nue h GLU 23 Ca 0.25 -0.07 -0.07 0.00 -1.18 0.00 0.00 59.36 58.29 1nue h GLU 23 Cb 0.21 -0.24 0.00 0.00 -0.16 0.00 0.00 28.75 28.56 1nue h GLU 23 CO -0.02 0.71 -0.23 0.82 -1.18 0.00 0.00 179.01 179.12 1nue h ILE 24 N 1.10 1.40 -0.78 2.32 2.04 -1.08 -2.98 117.51 119.52 1nue h ILE 24 Ca 0.29 -1.53 0.02 0.00 1.00 0.00 0.00 64.86 64.65 1nue h ILE 24 Cb -0.11 2.14 -0.04 0.00 -0.74 0.00 0.00 36.82 38.06 1nue h ILE 24 CO -0.06 0.44 0.51 0.40 0.00 0.00 0.00 178.15 179.43 1nue h ILE 25 N -0.12 1.14 -0.93 -0.67 2.04 -1.21 -2.22 117.51 115.54 1nue h ILE 25 Ca -0.00 -0.34 0.09 0.00 1.00 0.00 0.00 64.86 65.60 1nue h ILE 25 Cb 0.82 0.06 -0.07 0.00 -0.74 0.00 0.00 36.82 36.90 1nue h ILE 25 CO 0.05 0.18 0.60 0.50 0.00 0.00 0.00 178.15 179.48 1nue h LYS 26 N 1.00 0.96 -0.73 2.37 3.64 -1.21 -1.40 116.57 121.20 1nue h LYS 26 Ca 0.31 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.61 1nue h LYS 26 Cb -0.03 -0.22 -0.04 0.00 -0.41 0.00 0.00 32.23 31.54 1nue h LYS 26 CO -0.10 0.64 0.40 0.00 -2.27 0.00 0.00 179.45 178.11 1nue h ARG 27 N 0.99 1.01 -0.13 1.90 3.08 -1.23 -0.46 114.38 119.55 1nue h ARG 27 Ca 0.42 -0.11 -0.22 0.00 0.07 0.00 0.00 59.98 60.14 1nue h ARG 27 Cb 0.32 -0.20 0.01 0.00 0.08 0.00 0.00 29.97 30.18 1nue h ARG 27 CO -0.18 0.74 -0.79 0.74 -1.07 0.00 0.00 179.97 179.42 1nue h PHE 28 N 1.02 1.04 -0.58 3.04 0.04 -1.28 -2.92 116.94 117.29 1nue h PHE 28 Ca 0.26 -0.47 -0.02 0.00 2.80 0.00 0.00 57.97 60.54 1nue h PHE 28 Cb 0.03 -0.15 -0.03 0.00 2.20 0.00 0.00 35.95 38.00 1nue h PHE 28 CO 0.01 1.30 0.30 0.93 -0.60 0.00 0.00 178.31 180.25 1nue h GLU 29 N 0.47 0.82 -0.55 1.51 5.08 -1.02 -2.90 114.58 117.99 1nue h GLU 29 Ca -0.06 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.17 1nue h GLU 29 Cb 1.42 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 30.49 1nue h GLU 29 CO 0.16 0.65 0.25 1.96 -1.00 0.00 0.00 179.01 181.03 1nue h GLN 30 N 0.78 0.77 0.00 2.33 4.20 -1.13 -2.28 115.11 119.79 1nue h GLN 30 Ca 0.20 -0.10 -0.02 0.00 0.06 0.00 0.00 58.65 58.79 1nue h GLN 30 Cb 0.08 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 27.71 1nue h GLN 30 CO -0.03 0.61 -0.10 -0.22 -0.67 0.00 0.00 178.83 178.42 1nue h LYS 31 N 0.77 0.00 0.00 1.46 1.63 -1.32 -3.47 116.57 115.65 1nue h LYS 31 Ca 0.19 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.99 1nue h LYS 31 Cb 0.10 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.73 1nue h LYS 31 CO -0.02 0.10 0.00 0.41 -3.45 0.00 0.00 179.45 176.49 1nue n GLY 32 N -0.27 0.92 3.82 5.01 0.00 -0.86 -5.10 105.19 108.71 1nue n GLY 32 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1nue n GLY 32 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1nue s PHE 33 N -2.00 3.23 -0.19 1.61 0.08 -1.13 -5.00 117.98 114.58 1nue s PHE 33 Ca 0.00 1.50 -0.08 0.00 0.12 0.00 0.00 56.93 58.47 1nue s PHE 33 Cb 0.00 -2.90 -0.04 0.00 -0.57 0.00 0.00 43.02 39.51 1nue s PHE 33 CO 0.00 -0.68 0.08 0.50 -0.10 0.00 0.00 175.22 175.02 1nue s ARG 34 N -3.95 4.03 -0.10 0.44 3.52 -0.47 -4.62 118.95 117.79 1nue s ARG 34 Ca 0.62 -0.31 -0.30 0.00 -0.13 0.00 0.00 55.73 55.61 1nue s ARG 34 Cb -0.13 -3.27 -0.01 0.00 -1.56 0.00 0.00 34.95 29.98 1nue s ARG 34 CO 0.31 0.29 1.02 -1.17 -0.81 0.00 0.00 175.30 174.94 1nue s LEU 35 N 0.34 4.25 -0.19 -0.88 2.96 -1.26 -0.36 118.68 123.55 1nue s LEU 35 Ca 0.05 1.56 0.03 0.00 -0.22 0.00 0.00 54.13 55.55 1nue s LEU 35 Cb -0.12 -3.56 -0.13 0.00 0.50 0.00 0.00 46.19 42.88 1nue s LEU 35 CO -0.01 -0.45 -0.14 0.52 -1.32 0.00 0.00 176.35 174.95 1nue n VAL 36 N 4.52 1.09 -3.78 1.68 0.31 0.22 -4.95 118.33 117.42 1nue n VAL 36 Ca 0.09 -0.45 -0.12 0.00 -0.01 0.00 0.00 64.34 63.85 1nue n VAL 36 Cb 0.49 -1.11 -0.08 0.00 -0.91 0.00 0.00 33.84 32.23 1nue n VAL 36 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1nue s ALA 37 N -2.38 -0.61 -0.29 3.52 0.00 -1.17 -1.18 121.76 119.65 1nue s ALA 37 Ca -0.24 0.00 -0.16 0.00 0.00 0.00 0.00 51.96 51.57 1nue s ALA 37 Cb 0.06 0.24 0.13 0.00 0.00 0.00 0.00 23.12 23.55 1nue s ALA 37 CO 0.47 -0.35 0.89 1.41 0.00 0.00 0.00 175.76 178.17 1nue s MET 38 N -2.21 0.47 0.07 0.00 0.00 -1.26 -1.18 119.30 115.20 1nue s MET 38 Ca -0.07 0.82 -0.09 0.00 0.00 0.00 0.00 55.69 56.35 1nue s MET 38 Cb -0.02 0.10 0.00 0.00 0.00 0.00 0.00 34.83 34.91 1nue s MET 38 CO -0.01 -0.10 0.20 -1.59 0.00 0.00 0.00 175.02 173.52 1nue s LYS 39 N 1.45 0.81 -0.13 4.11 -2.85 -0.34 -5.00 119.74 117.78 1nue s LYS 39 Ca -0.09 -0.84 0.02 0.00 -1.00 0.00 0.00 55.97 54.05 1nue s LYS 39 Cb -0.04 0.33 -0.00 0.00 -2.06 0.00 0.00 37.83 36.06 1nue s LYS 39 CO -0.16 -0.25 -0.19 0.12 0.10 0.00 0.00 175.35 174.97 1nue s PHE 40 N -3.45 2.70 0.21 1.78 5.36 -1.26 -0.77 117.98 122.56 1nue s PHE 40 Ca 0.02 -1.01 -0.22 0.00 -0.96 0.00 0.00 56.93 54.76 1nue s PHE 40 Cb 0.03 -1.81 0.05 0.00 -0.34 0.00 0.00 43.02 40.94 1nue s PHE 40 CO -0.09 -0.43 0.65 -0.48 -1.46 0.00 0.00 175.22 173.41 1nue s LEU 41 N 0.57 -0.40 -0.35 6.12 2.34 -0.78 -4.97 118.68 121.21 1nue s LEU 41 Ca -0.11 -0.29 -0.11 0.00 0.06 0.00 0.00 54.13 53.68 1nue s LEU 41 Cb -0.16 2.63 0.01 0.00 -0.56 0.00 0.00 46.19 48.11 1nue s LEU 41 CO 0.04 -1.14 0.19 -0.60 -1.06 0.00 0.00 176.35 173.78 1nue s ARG 42 N -3.83 3.12 0.30 1.48 3.52 -1.26 -0.14 118.95 122.14 1nue s ARG 42 Ca 0.06 -0.88 -0.29 0.00 -0.13 0.00 0.00 55.73 54.49 1nue s ARG 42 Cb -0.03 -3.69 -0.09 0.00 -1.56 0.00 0.00 34.95 29.58 1nue s ARG 42 CO -0.04 -0.56 1.10 0.00 -0.81 0.00 0.00 175.30 174.99 1nue s ALA 43 N 1.60 3.36 0.76 6.12 0.00 -1.26 -5.02 121.76 127.32 1nue s ALA 43 Ca 0.04 0.88 -0.11 0.00 0.00 0.00 0.00 51.96 52.76 1nue s ALA 43 Cb -0.18 -3.32 0.05 0.00 0.00 0.00 0.00 23.12 19.66 1nue s ALA 43 CO 0.07 -0.18 1.09 -1.54 0.00 0.00 0.00 175.76 175.20 1nue s SER 44 N -0.97 4.86 0.21 0.00 1.04 -1.26 -4.63 113.70 112.96 1nue s SER 44 Ca 0.46 1.33 -0.09 0.00 0.48 0.00 0.00 55.95 58.14 1nue s SER 44 Cb -0.31 -2.11 0.17 0.00 0.10 0.00 0.00 66.02 63.86 1nue s SER 44 CO 0.39 -1.74 1.84 -0.33 0.98 0.00 0.00 173.24 174.38 1nue h GLU 45 N -0.93 1.10 -0.35 4.02 5.08 -1.96 -0.09 114.58 121.45 1nue h GLU 45 Ca -0.46 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 57.77 1nue h GLU 45 Cb 1.25 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 30.27 1nue h GLU 45 CO 0.60 0.81 0.19 0.93 -1.00 0.00 0.00 179.01 180.54 1nue h GLU 46 N 1.10 0.49 -0.66 2.33 5.08 -1.99 0.19 114.58 121.12 1nue h GLU 46 Ca 0.28 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.55 1nue h GLU 46 Cb 0.02 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 1nue h GLU 46 CO -0.05 0.41 0.26 1.25 -1.00 0.00 0.00 179.01 179.87 1nue h HIS 47 N 0.44 0.98 -0.11 4.33 2.76 -1.86 -1.77 115.15 119.91 1nue h HIS 47 Ca 0.12 -0.06 -0.18 0.00 -2.20 0.00 0.00 60.37 58.05 1nue h HIS 47 Cb 0.06 -0.30 -0.00 0.00 1.55 0.00 0.00 27.41 28.72 1nue h HIS 47 CO -0.03 0.75 -0.69 -0.07 -1.30 0.00 0.00 177.93 176.60 1nue h LEU 48 N 0.95 0.55 -1.15 0.26 3.38 -0.54 -2.20 115.31 116.56 1nue h LEU 48 Ca 0.22 -0.34 -0.09 0.00 0.09 0.00 0.00 57.88 57.76 1nue h LEU 48 Cb 0.19 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1nue h LEU 48 CO -0.02 1.08 -0.37 0.11 0.09 0.00 0.00 178.44 179.32 1nue h LYS 49 N 0.33 0.10 -0.16 1.13 1.57 -0.33 -1.20 116.57 118.00 1nue h LYS 49 Ca -0.02 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.65 1nue h LYS 49 Cb 1.26 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.56 1nue h LYS 49 CO 0.12 0.46 -0.14 1.96 -0.57 0.00 0.00 179.45 181.28 1nue h GLN 50 N 0.08 0.39 -0.30 3.15 1.08 -1.21 0.62 115.11 118.91 1nue h GLN 50 Ca 0.01 -0.20 0.03 0.00 -1.45 0.00 0.00 58.65 57.04 1nue h GLN 50 Cb 0.70 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.10 1nue h GLN 50 CO 0.05 0.75 0.12 1.25 -0.95 0.00 0.00 178.83 180.05 1nue h HIS 51 N 0.03 0.21 -0.92 2.96 2.76 -1.01 -2.72 115.15 116.47 1nue h HIS 51 Ca 0.03 0.01 -0.50 0.00 -2.20 0.00 0.00 60.37 57.71 1nue h HIS 51 Cb 0.66 -0.05 -0.28 0.00 1.55 0.00 0.00 27.41 29.29 1nue h HIS 51 CO 0.08 0.10 0.58 0.66 -1.30 0.00 0.00 177.93 178.05 1nue n TYR 52 N -5.01 2.85 -0.20 5.26 4.01 -0.49 -4.69 117.16 118.89 1nue n TYR 52 Ca -0.00 -1.99 0.17 0.00 -0.16 0.00 0.00 57.90 55.92 1nue n TYR 52 Cb 0.10 -0.96 0.51 0.00 -0.31 0.00 0.00 39.34 38.68 1nue n TYR 52 CO 0.00 0.00 0.00 0.97 -0.46 0.00 0.00 176.86 177.37 1nue h ILE 53 N 1.02 0.74 -0.33 -0.72 6.09 -0.53 -1.03 117.51 122.75 1nue h ILE 53 Ca 0.58 -0.14 0.01 0.00 -1.37 0.00 0.00 64.86 63.94 1nue h ILE 53 Cb 2.43 0.30 -0.02 0.00 0.47 0.00 0.00 36.82 40.00 1nue h ILE 53 CO 1.08 0.07 0.22 0.44 -3.07 0.00 0.00 178.15 176.90 1nue h ASP 54 N 0.41 0.35 -0.51 2.19 5.19 -1.85 -2.59 116.42 119.61 1nue h ASP 54 Ca 0.42 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.82 1nue h ASP 54 Cb 1.01 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 40.44 1nue h ASP 54 CO -0.14 0.25 0.00 0.18 -3.12 0.00 0.00 179.24 176.41 1nue n LEU 55 N -4.49 5.19 -0.06 1.55 4.77 -0.39 -4.58 117.00 118.99 1nue n LEU 55 Ca 0.02 -2.63 0.11 0.00 -0.03 0.00 0.00 56.01 53.47 1nue n LEU 55 Cb 0.09 -0.66 0.49 0.00 -2.33 0.00 0.00 43.42 41.00 1nue n LEU 55 CO 0.35 0.59 1.18 0.07 -1.33 0.00 0.00 177.39 178.25 1nue h LYS 56 N 3.55 0.41 0.00 3.23 2.10 -1.51 -0.94 116.57 123.41 1nue h LYS 56 Ca 0.00 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 1nue h LYS 56 Cb 1.81 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 33.05 1nue h LYS 56 CO 0.43 0.27 -0.34 -0.44 -2.00 0.00 0.00 179.45 177.37 1nue h ASP 57 N 0.42 0.00 -4.00 7.07 3.32 -1.85 -3.47 116.42 117.91 1nue h ASP 57 Ca 0.25 -0.09 -0.52 0.00 0.02 0.00 0.00 57.03 56.68 1nue h ASP 57 Cb 0.43 0.00 0.09 0.00 0.22 0.00 0.00 39.33 40.07 1nue h ASP 57 CO -0.07 0.05 0.55 -0.13 -1.72 0.00 0.00 179.24 177.92 1nue s ARG 58 N -3.16 3.65 0.28 3.56 1.81 -0.36 -4.95 118.95 119.78 1nue s ARG 58 Ca 0.08 2.01 -0.03 0.00 -1.72 0.00 0.00 55.73 56.06 1nue s ARG 58 Cb 0.12 -2.47 0.37 0.00 -0.45 0.00 0.00 34.95 32.52 1nue s ARG 58 CO 0.67 -0.71 1.92 -1.35 -0.68 0.00 0.00 175.30 175.15 1nue h PRO 59 N 2.07 1.11 0.00 3.54 0.11 -1.91 -2.70 132.00 134.23 1nue h PRO 59 Ca -0.50 -0.10 0.00 0.00 0.11 0.00 0.00 66.00 65.51 1nue h PRO 59 Cb 1.26 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1nue h PRO 59 CO 0.60 0.78 0.00 1.97 -0.21 0.00 0.00 178.00 181.14 1nue n PHE 60 N -4.37 0.13 -0.14 0.65 1.16 -1.26 -4.40 117.46 109.24 1nue n PHE 60 Ca 0.09 0.04 -0.09 0.00 -1.87 0.00 0.00 57.45 55.61 1nue n PHE 60 Cb 0.07 -0.57 -0.04 0.00 -1.61 0.00 0.00 39.48 37.34 1nue n PHE 60 CO 0.00 0.00 0.00 0.35 -1.87 0.00 0.00 176.76 175.24 1nue h PHE 61 N 0.00 -1.22 -0.67 2.97 3.57 -1.71 0.16 116.94 120.04 1nue h PHE 61 Ca 0.00 0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.57 1nue h PHE 61 Cb 0.50 0.60 -0.03 0.00 2.79 0.00 0.00 35.95 39.81 1nue h PHE 61 CO 0.00 -0.43 0.43 -1.35 -2.23 0.00 0.00 178.31 174.73 1nue h PRO 62 N -0.30 0.88 -0.43 6.41 0.11 -1.81 -0.85 132.00 136.01 1nue h PRO 62 Ca 0.15 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 66.14 1nue h PRO 62 Cb 0.58 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.47 1nue h PRO 62 CO -0.59 0.59 0.01 0.78 -0.21 0.00 0.00 178.00 178.58 1nue h GLY 63 N 0.92 0.81 0.89 -0.55 0.00 -1.51 -1.60 103.07 102.03 1nue h GLY 63 Ca 0.24 -0.58 -0.00 0.00 0.00 0.00 0.00 47.33 46.99 1nue h GLY 63 CO -0.05 0.54 -0.13 -2.00 0.00 0.00 0.00 176.54 174.90 1nue h LEU 64 N 0.59 -0.33 -0.35 3.11 5.85 -0.06 -1.35 115.31 122.78 1nue h LEU 64 Ca 0.12 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.90 1nue h LEU 64 Cb 0.47 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.57 1nue h LEU 64 CO 0.02 -0.20 0.14 0.58 -0.34 0.00 0.00 178.44 178.64 1nue h VAL 65 N -0.30 0.93 -0.46 1.05 2.07 -1.13 0.77 116.25 119.18 1nue h VAL 65 Ca -0.01 -0.10 0.03 0.00 0.82 0.00 0.00 66.70 67.43 1nue h VAL 65 Cb 0.27 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 1nue h VAL 65 CO -0.00 0.06 0.26 0.11 0.02 0.00 0.00 177.57 178.01 1nue h LYS 66 N 0.30 0.50 -0.35 1.57 1.79 -1.16 -1.24 116.57 117.98 1nue h LYS 66 Ca 0.15 -0.03 -0.12 0.00 -2.18 0.00 0.00 60.65 58.47 1nue h LYS 66 Cb 0.10 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 30.62 1nue h LYS 66 CO -0.14 0.33 -0.27 -0.92 -1.08 0.00 0.00 179.45 177.37 1nue h TYR 67 N 0.52 0.85 0.00 -1.35 3.20 -0.64 -1.51 116.97 118.04 1nue h TYR 67 Ca 0.19 -0.21 -0.02 0.00 3.14 0.00 0.00 58.73 61.83 1nue h TYR 67 Cb 0.04 -0.20 -0.00 0.00 1.54 0.00 0.00 36.73 38.11 1nue h TYR 67 CO -0.08 0.93 -0.08 0.52 -1.64 0.00 0.00 178.16 177.81 1nue h MET 68 N 0.63 0.00 -0.00 1.82 2.86 -0.40 -0.76 114.93 119.08 1nue h MET 68 Ca 0.08 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 1nue h MET 68 Cb 0.78 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.44 1nue h MET 68 CO 0.06 0.08 -0.70 -1.71 1.06 0.00 0.00 176.91 175.71 1nue n ASN 69 N -3.29 1.09 0.08 1.22 2.85 -0.51 -4.32 115.26 112.37 1nue n ASN 69 Ca -0.01 -0.91 0.09 0.00 -0.11 0.00 0.00 54.58 53.65 1nue n ASN 69 Cb 0.29 0.62 0.41 0.00 1.24 0.00 0.00 39.78 42.34 1nue n ASN 69 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 1nue n SER 70 N -1.12 0.38 -2.77 1.20 3.41 -0.29 -4.85 113.62 109.58 1nue n SER 70 Ca 0.06 0.60 -0.06 0.00 -0.26 0.00 0.00 58.87 59.21 1nue n SER 70 Cb 0.36 -0.68 0.02 0.00 -0.26 0.00 0.00 64.21 63.66 1nue n SER 70 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1nue n GLY 71 N -0.11 0.94 3.81 5.00 0.00 -1.26 -5.10 105.19 108.47 1nue n GLY 71 Ca 0.02 -1.20 -0.31 0.00 0.00 0.00 0.00 46.02 44.53 1nue n GLY 71 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1nue s PRO 72 N -2.07 2.97 0.08 1.61 0.04 -1.26 -4.61 135.00 131.75 1nue s PRO 72 Ca 0.16 1.01 0.07 0.00 0.04 0.00 0.00 61.00 62.29 1nue s PRO 72 Cb -0.04 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 32.48 1nue s PRO 72 CO 0.09 -1.07 -0.18 0.08 0.04 0.00 0.00 177.00 175.95 1nue s VAL 73 N -2.93 1.49 -0.35 -0.36 1.01 0.81 -3.70 120.40 116.36 1nue s VAL 73 Ca 0.59 -1.35 -0.10 0.00 0.00 0.00 0.00 61.98 61.12 1nue s VAL 73 Cb -0.15 -1.35 0.02 0.00 0.00 0.00 0.00 36.38 34.90 1nue s VAL 73 CO 0.52 -0.04 0.17 -0.69 0.00 0.00 0.00 175.10 175.06 1nue s VAL 74 N -1.07 4.46 -0.17 2.92 1.01 -0.94 -1.86 120.40 124.74 1nue s VAL 74 Ca 0.04 -0.77 -0.12 0.00 0.00 0.00 0.00 61.98 61.13 1nue s VAL 74 Cb -0.09 -3.43 -0.05 0.00 0.00 0.00 0.00 36.38 32.81 1nue s VAL 74 CO 0.03 -0.14 0.21 0.00 0.00 0.00 0.00 175.10 175.20 1nue s ALA 75 N 1.55 3.66 0.05 5.51 0.00 0.05 -1.09 121.76 131.50 1nue s ALA 75 Ca 0.02 -0.57 -0.02 0.00 0.00 0.00 0.00 51.96 51.40 1nue s ALA 75 Cb -0.19 -2.26 -0.03 0.00 0.00 0.00 0.00 23.12 20.64 1nue s ALA 75 CO 0.06 0.18 -0.00 -1.64 0.00 0.00 0.00 175.76 174.36 1nue s MET 76 N 0.23 0.62 -0.09 0.00 -1.94 -0.25 -1.20 119.30 116.68 1nue s MET 76 Ca 0.13 -1.16 0.02 0.00 -1.71 0.00 0.00 55.69 52.97 1nue s MET 76 Cb -0.12 0.22 0.01 0.00 2.01 0.00 0.00 34.83 36.95 1nue s MET 76 CO 0.02 -0.12 -0.14 0.08 -0.01 0.00 0.00 175.02 174.84 1nue s VAL 77 N -3.78 1.36 0.07 -6.03 1.01 -0.32 -1.24 120.40 111.48 1nue s VAL 77 Ca 0.06 -0.59 0.09 0.00 0.00 0.00 0.00 61.98 61.54 1nue s VAL 77 Cb 0.07 -1.24 -0.03 0.00 0.00 0.00 0.00 36.38 35.17 1nue s VAL 77 CO -0.10 0.41 -0.25 0.26 0.00 0.00 0.00 175.10 175.43 1nue s TRP 78 N 0.81 2.37 0.04 5.22 0.52 -0.70 -0.61 118.94 126.60 1nue s TRP 78 Ca -0.11 -0.37 0.09 0.00 0.02 0.00 0.00 56.10 55.73 1nue s TRP 78 Cb -0.16 -1.36 -0.03 0.00 -1.15 0.00 0.00 33.47 30.78 1nue s TRP 78 CO 0.02 0.23 -0.25 -2.00 0.02 0.00 0.00 176.95 174.97 1nue s GLU 79 N -1.57 1.68 0.00 4.98 2.12 0.51 -1.18 118.70 125.24 1nue s GLU 79 Ca 0.13 -1.05 0.00 0.00 0.36 0.00 0.00 54.97 54.41 1nue s GLU 79 Cb -0.10 -1.84 0.00 0.00 0.26 0.00 0.00 34.13 32.45 1nue s GLU 79 CO 0.04 0.47 0.00 0.41 -0.54 0.00 0.00 175.26 175.65 1nue n GLY 80 N 1.82 1.98 3.65 -1.50 0.00 0.17 -1.37 105.19 109.94 1nue n GLY 80 Ca -0.17 -0.89 -0.42 0.00 0.00 0.00 0.00 46.02 44.54 1nue n GLY 80 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1nue s LEU 81 N 0.00 4.27 -1.86 0.99 2.96 -1.26 -2.05 118.68 121.73 1nue s LEU 81 Ca 0.00 2.45 0.00 0.00 -0.22 0.00 0.00 54.13 56.36 1nue s LEU 81 Cb 0.00 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.16 1nue s LEU 81 CO 0.00 -1.15 0.00 0.59 -1.32 0.00 0.00 176.35 174.47 1nue n ASN 82 N 7.99 -5.75 0.05 3.68 4.13 -1.26 -4.88 115.26 119.21 1nue n ASN 82 Ca 0.20 0.11 0.08 0.00 1.68 0.00 0.00 54.58 56.66 1nue n ASN 82 Cb 0.42 -4.84 0.52 0.00 -1.54 0.00 0.00 39.78 34.34 1nue n ASN 82 CO 0.00 0.00 0.00 1.62 0.28 0.00 0.00 177.26 179.16 1nue h VAL 83 N 0.00 1.00 0.40 2.41 3.04 -1.70 -1.00 116.25 120.39 1nue h VAL 83 Ca -0.47 -0.11 -0.02 0.00 -1.01 0.00 0.00 66.70 65.08 1nue h VAL 83 Cb 1.36 0.63 0.00 0.00 -2.01 0.00 0.00 31.29 31.27 1nue h VAL 83 CO 0.59 0.06 -0.19 0.58 -1.01 0.00 0.00 177.57 177.60 1nue h VAL 84 N 0.33 0.60 -0.25 1.51 2.07 -1.85 0.30 116.25 118.97 1nue h VAL 84 Ca 0.15 -0.26 -0.05 0.00 0.82 0.00 0.00 66.70 67.37 1nue h VAL 84 Cb 0.18 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 1nue h VAL 84 CO -0.03 0.05 -0.03 0.50 0.02 0.00 0.00 177.57 178.08 1nue h LYS 85 N -0.69 0.45 -0.56 1.57 1.63 -1.84 -2.51 116.57 114.63 1nue h LYS 85 Ca -0.05 -0.16 -0.07 0.00 -0.85 0.00 0.00 60.65 59.52 1nue h LYS 85 Cb 0.49 -0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 32.06 1nue h LYS 85 CO 0.09 0.65 0.06 1.15 -3.45 0.00 0.00 179.45 177.95 1nue h THR 86 N 0.21 1.25 -0.65 1.00 2.02 -1.22 -2.01 112.91 113.51 1nue h THR 86 Ca 0.07 -0.99 -0.01 0.00 0.77 0.00 0.00 66.41 66.25 1nue h THR 86 Cb 0.46 0.76 -0.03 0.00 -1.74 0.00 0.00 68.15 67.60 1nue h THR 86 CO 0.02 0.36 0.37 1.23 0.37 0.00 0.00 175.52 177.87 1nue h GLY 87 N 1.00 0.95 1.40 2.16 0.00 -0.31 -0.94 103.07 107.34 1nue h GLY 87 Ca 0.17 -0.40 -0.11 0.00 0.00 0.00 0.00 47.33 46.98 1nue h GLY 87 CO 0.01 0.39 -0.26 3.21 0.00 0.00 0.00 176.54 179.90 1nue h ARG 88 N 0.90 0.68 -0.54 4.80 2.47 -0.99 -1.90 114.38 119.81 1nue h ARG 88 Ca 0.23 -0.28 -0.07 0.00 -1.26 0.00 0.00 59.98 58.60 1nue h ARG 88 Cb 0.00 -0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 28.27 1nue h ARG 88 CO -0.04 0.87 0.06 0.28 0.56 0.00 0.00 179.97 181.70 1nue h VAL 89 N 0.59 1.26 -0.71 2.04 2.07 -0.64 -2.68 116.25 118.19 1nue h VAL 89 Ca 0.08 -1.01 -0.03 0.00 0.82 0.00 0.00 66.70 66.56 1nue h VAL 89 Cb 0.75 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 31.34 1nue h VAL 89 CO 0.06 0.36 0.31 0.24 0.02 0.00 0.00 177.57 178.57 1nue h MET 90 N 0.80 1.02 -0.38 1.57 2.86 -0.91 -3.00 114.93 116.88 1nue h MET 90 Ca 0.16 -0.15 -0.13 0.00 -2.06 0.00 0.00 59.70 57.52 1nue h MET 90 Cb 0.45 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.92 1nue h MET 90 CO 0.02 0.81 -0.26 -0.07 1.06 0.00 0.00 176.91 178.47 1nue h LEU 91 N 1.01 0.89 0.00 1.22 3.38 -1.25 -0.72 115.31 119.84 1nue h LEU 91 Ca 0.24 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1nue h LEU 91 Cb 0.14 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1nue h LEU 91 CO -0.03 1.13 0.00 0.61 0.09 0.00 0.00 178.44 180.24 1nue n GLY 92 N 0.02 -0.59 3.93 0.83 0.00 -1.02 -1.19 105.19 107.17 1nue n GLY 92 Ca -0.02 -2.03 -0.25 0.00 0.00 0.00 0.00 46.02 43.72 1nue n GLY 92 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nue s GLU 93 N 0.00 3.13 0.24 1.61 0.41 -1.26 -4.78 118.70 118.05 1nue s GLU 93 Ca 0.00 -0.17 -0.05 0.00 -0.41 0.00 0.00 54.97 54.34 1nue s GLU 93 Cb 0.00 -2.42 0.40 0.00 -1.78 0.00 0.00 34.13 30.33 1nue s GLU 93 CO 0.00 -0.39 1.75 1.15 -0.49 0.00 0.00 175.26 177.28 1nue h THR 94 N 0.18 0.74 -3.55 3.63 2.02 -1.95 -3.37 112.91 110.60 1nue h THR 94 Ca -0.46 -0.17 -0.62 0.00 0.77 0.00 0.00 66.41 65.93 1nue h THR 94 Cb 1.24 0.19 -0.12 0.00 -1.74 0.00 0.00 68.15 67.72 1nue h THR 94 CO 0.60 0.09 0.05 0.21 0.37 0.00 0.00 175.52 176.84 1nue s ASN 95 N -5.41 6.47 0.56 4.18 3.84 -1.26 -4.71 114.94 118.61 1nue s ASN 95 Ca -0.12 0.54 0.27 0.00 0.21 0.00 0.00 52.86 53.75 1nue s ASN 95 Cb 0.19 -2.30 1.48 0.00 -0.55 0.00 0.00 41.25 40.08 1nue s ASN 95 CO 0.76 -0.34 1.99 -0.65 -2.79 0.00 0.00 177.10 176.08 1nue h PRO 96 N 8.02 0.00 0.00 0.43 0.11 -1.76 0.10 132.00 138.90 1nue h PRO 96 Ca -0.28 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.82 1nue h PRO 96 Cb 1.13 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 1nue h PRO 96 CO 0.74 0.00 -0.07 0.00 -0.21 0.00 0.00 178.00 178.46 1nue h ALA 97 N 1.67 1.85 -0.01 -0.75 0.00 -1.87 -1.59 119.26 118.55 1nue h ALA 97 Ca 0.20 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1nue h ALA 97 Cb 0.94 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1nue h ALA 97 CO -0.00 0.09 -0.45 -0.25 0.00 0.00 0.00 179.25 178.64 1nue n ASP 98 N -4.41 1.51 -4.78 0.00 8.00 0.01 -4.93 116.55 111.94 1nue n ASP 98 Ca -0.03 -1.19 -0.39 0.00 0.71 0.00 0.00 54.79 53.89 1nue n ASP 98 Cb 0.15 0.39 -0.06 0.00 -0.02 0.00 0.00 41.12 41.58 1nue n ASP 98 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1nue s SER 99 N -2.56 7.29 0.40 -2.24 0.01 -0.60 -4.56 113.70 111.44 1nue s SER 99 Ca 0.19 1.53 -0.12 0.00 1.31 0.00 0.00 55.95 58.87 1nue s SER 99 Cb 0.18 -2.46 -0.07 0.00 0.21 0.00 0.00 66.02 63.88 1nue s SER 99 CO 0.59 0.21 0.78 -0.54 0.41 0.00 0.00 173.24 174.69 1nue s LYS 100 N -1.05 3.82 0.42 12.44 -0.14 -1.26 -4.53 119.74 129.44 1nue s LYS 100 Ca 0.34 0.54 -0.26 0.00 -1.36 0.00 0.00 55.97 55.23 1nue s LYS 100 Cb -0.22 -2.37 -0.09 0.00 -1.68 0.00 0.00 37.83 33.46 1nue s LYS 100 CO 0.24 -0.03 1.44 -2.14 -0.76 0.00 0.00 175.35 174.10 1nue s PRO 101 N -3.74 3.84 0.00 -1.68 0.02 -1.26 -2.05 135.00 130.13 1nue s PRO 101 Ca 0.52 2.46 0.00 0.00 0.02 0.00 0.00 61.00 64.01 1nue s PRO 101 Cb -0.10 -2.77 0.00 0.00 0.02 0.00 0.00 34.50 31.65 1nue s PRO 101 CO 0.29 -0.71 0.00 0.41 -0.33 0.00 0.00 177.00 176.67 1nue n GLY 102 N 0.54 1.42 3.93 0.52 0.00 -1.26 -4.98 105.19 105.35 1nue n GLY 102 Ca 0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.80 1nue n GLY 102 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nue s THR 103 N -1.77 4.35 0.08 2.61 -4.23 -0.87 -4.93 115.64 110.88 1nue s THR 103 Ca 0.00 -0.11 -0.24 0.00 -1.18 0.00 0.00 61.69 60.16 1nue s THR 103 Cb 0.00 -3.65 -0.16 0.00 1.34 0.00 0.00 72.50 70.03 1nue s THR 103 CO 0.00 -0.58 1.69 0.40 -0.54 0.00 0.00 174.62 175.59 1nue h ILE 104 N 0.21 0.94 0.00 2.99 2.04 -1.18 -0.57 117.51 121.95 1nue h ILE 104 Ca -0.47 -0.09 -0.10 0.00 1.00 0.00 0.00 64.86 65.21 1nue h ILE 104 Cb 1.23 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 38.29 1nue h ILE 104 CO 0.60 0.02 -0.49 0.03 0.00 0.00 0.00 178.15 178.31 1nue h ARG 105 N -0.15 0.00 -0.17 2.37 3.08 -1.41 -2.21 114.38 115.90 1nue h ARG 105 Ca -0.01 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.91 1nue h ARG 105 Cb 0.12 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 1nue h ARG 105 CO 0.02 0.49 -0.43 0.78 -1.07 0.00 0.00 179.97 179.76 1nue h GLY 106 N 1.54 0.43 1.39 0.04 0.00 -1.64 -2.89 103.07 101.93 1nue h GLY 106 Ca -0.00 -0.43 -0.26 0.00 0.00 0.00 0.00 47.33 46.63 1nue h GLY 106 CO 0.06 0.39 -1.42 -0.55 0.00 0.00 0.00 176.54 175.02 1nue h ASP 107 N 0.32 0.04 -0.00 0.19 3.32 -1.03 -3.43 116.42 115.83 1nue h ASP 107 Ca 0.03 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.01 1nue h ASP 107 Cb 0.89 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.43 1nue h ASP 107 CO 0.07 1.05 -0.10 0.49 -1.72 0.00 0.00 179.24 179.04 1nue n PHE 108 N -3.21 0.00 -4.04 4.55 3.72 -0.84 -5.09 117.46 112.56 1nue n PHE 108 Ca -0.11 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.20 1nue n PHE 108 Cb 1.01 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 39.48 1nue n PHE 108 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1nue n ILE 110 N -0.31 0.15 -4.36 0.00 5.41 -1.26 -4.75 119.36 114.24 1nue n ILE 110 Ca -0.02 -0.05 -0.32 0.00 1.00 0.00 0.00 62.75 63.36 1nue n ILE 110 Cb 0.63 -1.00 -0.10 0.00 -0.71 0.00 0.00 39.64 38.47 1nue n ILE 110 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 176.55 174.97 1nue s GLN 111 N -2.05 2.65 0.53 0.38 0.74 -1.26 -4.03 119.66 116.61 1nue s GLN 111 Ca -0.04 -0.68 0.19 0.00 0.05 0.00 0.00 55.36 54.88 1nue s GLN 111 Cb 0.01 -2.57 1.33 0.00 1.10 0.00 0.00 33.01 32.87 1nue s GLN 111 CO 0.05 0.61 2.11 -0.24 -0.55 0.00 0.00 175.29 177.27 1nue h VAL 112 N 3.61 0.90 0.00 1.34 3.04 -1.95 -1.76 116.25 121.44 1nue h VAL 112 Ca -0.49 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.20 1nue h VAL 112 Cb 1.17 0.92 0.00 0.00 -2.01 0.00 0.00 31.29 31.37 1nue h VAL 112 CO 0.55 0.00 0.00 0.61 -1.01 0.00 0.00 177.57 177.72 1nue n GLY 113 N -1.56 -1.46 2.24 3.17 0.00 -1.26 -3.80 105.19 102.51 1nue n GLY 113 Ca 0.01 -0.06 -0.25 0.00 0.00 0.00 0.00 46.02 45.72 1nue n GLY 113 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nue n ARG 114 N -1.77 1.08 -1.27 1.61 5.12 -0.67 -4.98 116.66 115.78 1nue n ARG 114 Ca 0.06 -3.52 -0.20 0.00 -1.93 0.00 0.00 57.85 52.26 1nue n ARG 114 Cb 0.33 -1.43 0.13 0.00 -1.16 0.00 0.00 32.46 30.33 1nue n ARG 114 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1nue n ASN 115 N 1.31 4.54 0.00 0.55 6.94 -1.20 -4.40 115.26 122.99 1nue n ASN 115 Ca 0.23 -3.76 0.00 0.00 -0.02 0.00 0.00 54.58 51.03 1nue n ASN 115 Cb 0.50 -0.70 0.00 0.00 -2.36 0.00 0.00 39.78 37.23 1nue n ASN 115 CO 0.00 0.00 0.00 2.30 -1.03 0.00 0.00 177.26 178.53 1nue n ILE 116 N -0.99 0.00 -3.75 1.53 -5.35 -1.26 -4.80 119.36 104.75 1nue n ILE 116 Ca 0.48 0.00 -0.11 0.00 -0.27 0.00 0.00 62.75 62.85 1nue n ILE 116 Cb 1.03 0.00 -0.07 0.00 -1.74 0.00 0.00 39.64 38.86 1nue n ILE 116 CO 0.00 0.00 0.00 -0.51 -1.76 0.00 0.00 176.55 174.28 1nue s ILE 117 N 0.00 0.09 -0.01 7.28 2.07 -1.26 -0.56 121.20 128.81 1nue s ILE 117 Ca 0.00 -0.77 0.05 0.00 -1.41 0.00 0.00 60.65 58.51 1nue s ILE 117 Cb 0.00 -1.10 -0.01 0.00 0.13 0.00 0.00 42.46 41.47 1nue s ILE 117 CO 0.00 -0.43 -0.16 -2.28 -1.91 0.00 0.00 174.94 170.17 1nue s HIS 118 N -3.21 1.40 -0.03 3.50 5.65 0.13 -4.87 115.29 117.87 1nue s HIS 118 Ca -0.00 -0.27 -0.02 0.00 0.25 0.00 0.00 55.06 55.01 1nue s HIS 118 Cb 0.01 -0.90 0.01 0.00 -1.18 0.00 0.00 32.58 30.53 1nue s HIS 118 CO -0.08 -0.02 0.07 0.20 -0.65 0.00 0.00 174.74 174.27 1nue s GLY 119 N -0.45 -0.03 0.39 1.59 0.00 -1.26 -0.77 107.32 106.79 1nue s GLY 119 Ca 0.06 0.27 -0.27 0.00 0.00 0.00 0.00 44.72 44.78 1nue s GLY 119 CO -0.00 0.34 1.35 1.44 0.00 0.00 0.00 173.10 176.23 1nue n SER 120 N 3.33 3.03 0.00 1.64 7.64 -0.82 -4.92 113.62 123.52 1nue n SER 120 Ca -0.16 1.17 0.12 0.00 1.01 0.00 0.00 58.87 61.02 1nue n SER 120 Cb 0.57 -1.54 0.26 0.00 -1.01 0.00 0.00 64.21 62.50 1nue n SER 120 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1nue n ASP 121 N 0.41 0.48 -3.72 6.43 5.68 -1.26 -4.80 116.55 119.77 1nue n ASP 121 Ca 0.04 -0.19 -0.09 0.00 -0.50 0.00 0.00 54.79 54.05 1nue n ASP 121 Cb 0.38 0.21 -0.03 0.00 -1.14 0.00 0.00 41.12 40.55 1nue n ASP 121 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1nue s SER 122 N -3.07 -0.31 0.20 -1.12 1.04 -1.26 -4.92 113.70 104.25 1nue s SER 122 Ca 0.11 -0.44 -0.11 0.00 0.48 0.00 0.00 55.95 55.99 1nue s SER 122 Cb 0.17 0.63 0.14 0.00 0.10 0.00 0.00 66.02 67.06 1nue s SER 122 CO 0.69 -1.12 1.86 0.58 0.98 0.00 0.00 173.24 176.23 1nue h VAL 123 N 2.10 1.15 -0.24 5.02 2.07 -1.92 0.28 116.25 124.72 1nue h VAL 123 Ca -0.27 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 1nue h VAL 123 Cb 1.27 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 1nue h VAL 123 CO 0.33 0.16 0.12 0.50 0.02 0.00 0.00 177.57 178.71 1nue h LYS 124 N 0.90 0.34 -0.49 1.57 3.64 -1.98 0.92 116.57 121.47 1nue h LYS 124 Ca 0.26 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.53 1nue h LYS 124 Cb -0.07 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.66 1nue h LYS 124 CO -0.07 0.32 0.05 0.77 -2.27 0.00 0.00 179.45 178.25 1nue h SER 125 N 0.27 0.74 -0.05 4.20 0.02 -1.84 -2.11 113.55 114.78 1nue h SER 125 Ca 0.08 -0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1nue h SER 125 Cb 0.09 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 62.43 1nue h SER 125 CO -0.01 0.78 0.03 0.00 -1.14 0.00 0.00 176.83 176.48 1nue h ALA 126 N 1.31 0.07 -0.43 3.77 0.00 0.08 0.12 119.26 124.19 1nue h ALA 126 Ca 0.15 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1nue h ALA 126 Cb 0.38 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1nue h ALA 126 CO 0.01 -0.40 0.24 0.93 0.00 0.00 0.00 179.25 180.03 1nue h GLU 127 N 0.00 0.58 -0.21 0.00 4.39 -0.54 0.23 114.58 119.04 1nue h GLU 127 Ca 0.02 -0.05 -0.18 0.00 0.34 0.00 0.00 59.36 59.49 1nue h GLU 127 Cb 0.07 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.60 1nue h GLU 127 CO -0.00 0.43 -0.55 -0.22 -1.16 0.00 0.00 179.01 177.50 1nue h LYS 128 N 0.59 0.75 -0.23 2.33 3.64 -0.91 -2.67 116.57 120.07 1nue h LYS 128 Ca 0.15 -0.52 -0.15 0.00 -1.27 0.00 0.00 60.65 58.86 1nue h LYS 128 Cb 0.01 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 1nue h LYS 128 CO -0.03 1.14 -0.48 0.93 -2.27 0.00 0.00 179.45 178.75 1nue h GLU 129 N 0.47 0.63 -0.47 1.90 5.08 -0.04 -1.67 114.58 120.48 1nue h GLU 129 Ca -0.01 -0.36 -0.01 0.00 -1.00 0.00 0.00 59.36 57.98 1nue h GLU 129 Cb 1.17 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.43 1nue h GLU 129 CO 0.12 0.97 0.26 0.82 -1.00 0.00 0.00 179.01 180.18 1nue h ILE 130 N 0.50 1.17 -0.40 3.13 2.04 -0.99 -0.53 117.51 122.43 1nue h ILE 130 Ca 0.03 -0.43 -0.07 0.00 1.00 0.00 0.00 64.86 65.39 1nue h ILE 130 Cb 1.02 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.68 1nue h ILE 130 CO 0.10 0.18 -0.03 0.28 0.00 0.00 0.00 178.15 178.67 1nue h SER 131 N 0.62 0.63 -0.28 1.72 0.02 -1.37 -0.89 113.55 114.00 1nue h SER 131 Ca 0.17 -0.15 -0.17 0.00 -0.84 0.00 0.00 61.79 60.80 1nue h SER 131 Cb 0.05 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.42 1nue h SER 131 CO -0.03 0.72 -0.46 0.25 -1.14 0.00 0.00 176.83 176.18 1nue h LEU 132 N 0.62 0.92 0.00 5.07 5.85 -0.66 -3.36 115.31 123.75 1nue h LEU 132 Ca 0.12 -0.45 -0.12 0.00 0.84 0.00 0.00 57.88 58.27 1nue h LEU 132 Cb 0.44 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 1nue h LEU 132 CO 0.02 1.23 -1.43 0.79 -0.34 0.00 0.00 178.44 178.71 1nue n TRP 133 N -4.03 0.81 -4.51 1.25 7.02 -0.26 -4.95 117.44 112.77 1nue n TRP 133 Ca -0.03 0.26 -0.22 0.00 -1.02 0.00 0.00 57.50 56.49 1nue n TRP 133 Cb 0.58 -0.98 -0.14 0.00 -2.42 0.00 0.00 31.31 28.34 1nue n TRP 133 CO 0.00 0.00 0.00 -0.06 -2.02 0.00 0.00 177.69 175.61 1nue s PHE 134 N -3.08 1.39 0.41 -5.99 0.08 -0.36 -5.09 117.98 105.34 1nue s PHE 134 Ca -0.03 -0.33 -0.19 0.00 0.12 0.00 0.00 56.93 56.49 1nue s PHE 134 Cb 0.09 -0.84 -0.10 0.00 -0.57 0.00 0.00 43.02 41.60 1nue s PHE 134 CO 0.82 0.03 0.91 0.15 -0.10 0.00 0.00 175.22 177.03 1nue s LYS 135 N -0.95 4.16 0.49 0.44 1.02 -1.26 -4.55 119.74 119.09 1nue s LYS 135 Ca 0.04 1.01 0.22 0.00 0.02 0.00 0.00 55.97 57.26 1nue s LYS 135 Cb -0.08 -2.23 1.27 0.00 -0.52 0.00 0.00 37.83 36.28 1nue s LYS 135 CO 0.01 -0.00 1.97 -1.35 -0.92 0.00 0.00 175.35 175.06 1nue h PRO 136 N 1.92 0.14 0.00 -1.68 0.11 -1.95 -0.79 132.00 129.75 1nue h PRO 136 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1nue h PRO 136 Cb 1.18 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1nue h PRO 136 CO 0.62 0.10 0.00 -0.85 -0.21 0.00 0.00 178.00 177.65 1nue n GLU 137 N -4.41 0.10 0.01 1.05 0.00 -1.26 -2.84 120.64 113.29 1nue n GLU 137 Ca 0.11 0.24 0.13 0.00 0.00 0.00 0.00 57.16 57.65 1nue n GLU 137 Cb 0.57 -1.66 0.45 0.00 0.00 0.00 0.00 31.44 30.80 1nue n GLU 137 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1nue n GLU 138 N -1.84 0.05 -3.04 3.44 1.02 -0.30 -4.73 120.64 115.24 1nue n GLU 138 Ca 0.04 0.03 -0.41 0.00 -0.02 0.00 0.00 57.16 56.79 1nue n GLU 138 Cb 0.26 -1.54 -0.06 0.00 -0.02 0.00 0.00 31.44 30.08 1nue n GLU 138 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1nue s LEU 139 N -3.24 4.12 -0.05 -4.62 1.43 -1.13 -4.53 118.68 110.67 1nue s LEU 139 Ca 0.12 0.54 -0.19 0.00 -1.03 0.00 0.00 54.13 53.56 1nue s LEU 139 Cb 0.17 -2.93 -0.05 0.00 0.03 0.00 0.00 46.19 43.42 1nue s LEU 139 CO 0.61 -0.54 0.54 -0.69 0.23 0.00 0.00 176.35 176.50 1nue s VAL 140 N 2.76 5.04 -0.21 -1.59 1.01 -0.32 -5.03 120.40 122.05 1nue s VAL 140 Ca 0.28 1.11 -0.13 0.00 0.00 0.00 0.00 61.98 63.25 1nue s VAL 140 Cb -0.15 -3.88 -0.05 0.00 0.00 0.00 0.00 36.38 32.31 1nue s VAL 140 CO 0.12 0.39 0.25 -1.81 0.00 0.00 0.00 175.10 174.05 1nue s ASP 141 N 0.10 6.27 -0.12 3.32 1.01 -1.26 -4.84 116.67 121.16 1nue s ASP 141 Ca 0.29 0.31 -0.33 0.00 0.71 0.00 0.00 52.55 53.53 1nue s ASP 141 Cb -0.17 -2.16 0.13 0.00 1.01 0.00 0.00 42.92 41.73 1nue s ASP 141 CO 0.14 0.04 1.16 -0.72 0.21 0.00 0.00 175.17 176.00 1nue s TYR 142 N 0.98 -0.15 -0.06 4.23 1.13 -1.26 -5.18 117.35 117.05 1nue s TYR 142 Ca 0.13 0.06 0.03 0.00 -1.41 0.00 0.00 57.07 55.88 1nue s TYR 142 Cb -0.14 0.53 -0.02 0.00 -1.10 0.00 0.00 41.96 41.23 1nue s TYR 142 CO 0.05 -0.29 -0.15 0.21 -2.51 0.00 0.00 175.55 172.85 1nue s LYS 143 N -2.56 2.63 0.28 -3.49 2.20 -1.26 -5.12 119.74 112.42 1nue s LYS 143 Ca 0.10 -0.72 -0.29 0.00 -0.36 0.00 0.00 55.97 54.70 1nue s LYS 143 Cb -0.00 -2.39 -0.09 0.00 -1.51 0.00 0.00 37.83 33.83 1nue s LYS 143 CO -0.05 0.54 1.09 -1.12 -0.36 0.00 0.00 175.35 175.45 1nue s SER 144 N -0.52 7.26 0.55 1.43 0.01 -1.26 -4.95 113.70 116.22 1nue s SER 144 Ca 0.07 2.24 0.34 0.00 1.31 0.00 0.00 55.95 59.91 1nue s SER 144 Cb -0.12 -2.62 1.45 0.00 0.21 0.00 0.00 66.02 64.94 1nue s SER 144 CO 0.01 -0.14 2.01 0.00 0.41 0.00 0.00 173.24 175.53 1nue n ALA 146 N -2.07 2.39 -0.19 0.00 0.00 -1.26 -4.57 120.51 114.81 1nue n ALA 146 Ca 0.00 -1.26 -0.01 0.00 0.00 0.00 0.00 53.44 52.17 1nue n ALA 146 Cb 0.28 -0.94 0.06 0.00 0.00 0.00 0.00 19.45 18.85 1nue n ALA 146 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1nue h HIS 147 N 4.26 -0.23 0.00 0.00 6.17 -1.83 0.16 115.15 123.68 1nue h HIS 147 Ca 0.00 0.05 0.00 0.00 0.71 0.00 0.00 60.37 61.13 1nue h HIS 147 Cb 0.97 0.19 0.00 0.00 2.52 0.00 0.00 27.41 31.09 1nue h HIS 147 CO 0.47 -0.22 0.00 -0.25 0.71 0.00 0.00 177.93 178.64 1nue n ASP 148 N -5.36 0.00 0.00 3.26 8.00 -1.26 -1.04 116.55 120.14 1nue n ASP 148 Ca 0.07 0.40 0.10 0.00 0.71 0.00 0.00 54.79 56.08 1nue n ASP 148 Cb 0.31 -0.45 -0.09 0.00 -0.02 0.00 0.00 41.12 40.87 1nue n ASP 148 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 1nue n TRP 149 N -1.45 0.02 -0.10 1.24 7.02 0.47 -4.21 117.44 120.43 1nue n TRP 149 Ca 0.05 0.01 -0.11 0.00 -1.02 0.00 0.00 57.50 56.42 1nue n TRP 149 Cb 0.17 -0.14 -0.15 0.00 -2.42 0.00 0.00 31.31 28.77 1nue n TRP 149 CO 0.00 0.00 0.00 0.28 -2.02 0.00 0.00 177.69 175.95 1nue n VAL 150 N -1.68 1.40 -4.47 -0.99 0.31 -0.66 -5.00 118.33 107.24 1nue n VAL 150 Ca 0.02 -0.81 -0.24 0.00 -0.01 0.00 0.00 64.34 63.31 1nue n VAL 150 Cb 0.38 -0.61 -0.13 0.00 -0.91 0.00 0.00 33.84 32.57 1nue n VAL 150 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1nue s TYR 151 N -2.49 1.69 -2.00 3.52 2.02 -0.21 -5.11 117.35 114.77 1nue s TYR 151 Ca -0.14 -0.39 0.15 0.00 -0.37 0.00 0.00 57.07 56.32 1nue s TYR 151 Cb 0.06 -0.98 0.87 0.00 -0.40 0.00 0.00 41.96 41.52 1nue s TYR 151 CO 0.79 0.12 1.29 0.39 -1.57 0.00 0.00 175.55 176.56