#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 6.33 0.67 0.00 2.47 -1.26 -5.01 114.94 118.14 1nue s ASN 3 Ca 0.00 -0.22 -0.07 0.00 0.42 0.00 0.00 52.86 52.99 1nue s ASN 3 Cb 0.00 -2.52 0.04 0.00 -1.45 0.00 0.00 41.25 37.32 1nue s ASN 3 CO 0.00 -1.53 0.99 -0.76 -3.72 0.00 0.00 177.10 172.08 1nue s LEU 4 N 4.90 2.97 0.53 3.21 1.43 -1.26 -5.07 118.68 125.40 1nue s LEU 4 Ca 0.37 0.63 -0.22 0.00 -1.03 0.00 0.00 54.13 53.89 1nue s LEU 4 Cb -0.09 -3.36 -0.05 0.00 0.03 0.00 0.00 46.19 42.71 1nue s LEU 4 CO 0.20 -1.38 1.29 -0.70 0.23 0.00 0.00 176.35 175.99 1nue s GLU 5 N -5.17 3.27 0.06 1.70 2.12 -1.25 -4.79 118.70 114.64 1nue s GLU 5 Ca 0.58 2.07 0.04 0.00 0.36 0.00 0.00 54.97 58.01 1nue s GLU 5 Cb -0.11 -2.25 -0.03 0.00 0.26 0.00 0.00 34.13 32.00 1nue s GLU 5 CO 0.46 -1.04 -0.12 1.03 -0.54 0.00 0.00 175.26 175.05 1nue s ARG 6 N -2.91 0.75 0.08 4.30 0.52 -1.26 -1.16 118.95 119.26 1nue s ARG 6 Ca 0.70 -0.91 0.01 0.00 -0.52 0.00 0.00 55.73 55.01 1nue s ARG 6 Cb -0.36 -0.68 -0.04 0.00 0.52 0.00 0.00 34.95 34.39 1nue s ARG 6 CO 0.42 0.15 -0.06 -0.08 0.02 0.00 0.00 175.30 175.75 1nue s THR 7 N -1.34 0.54 -0.19 0.02 -1.32 -0.60 -4.76 115.64 107.99 1nue s THR 7 Ca -0.04 -1.81 -0.05 0.00 -1.21 0.00 0.00 61.69 58.59 1nue s THR 7 Cb -0.10 -1.51 -0.03 0.00 -1.51 0.00 0.00 72.50 69.35 1nue s THR 7 CO 0.02 -0.86 -0.00 0.12 -2.21 0.00 0.00 174.62 171.69 1nue s PHE 8 N -3.46 3.05 -0.04 9.09 5.36 -1.26 -2.00 117.98 128.72 1nue s PHE 8 Ca 0.08 -0.38 0.05 0.00 -0.96 0.00 0.00 56.93 55.71 1nue s PHE 8 Cb 0.04 -2.06 -0.01 0.00 -0.34 0.00 0.00 43.02 40.66 1nue s PHE 8 CO -0.06 -0.17 -0.18 0.42 -1.46 0.00 0.00 175.22 173.78 1nue s ILE 9 N 0.83 1.48 -0.06 3.12 -1.09 -0.54 -1.92 121.20 123.02 1nue s ILE 9 Ca 0.01 -0.75 0.02 0.00 -2.23 0.00 0.00 60.65 57.69 1nue s ILE 9 Cb -0.14 -1.26 0.02 0.00 -1.58 0.00 0.00 42.46 39.49 1nue s ILE 9 CO 0.02 0.42 -0.09 0.00 -1.23 0.00 0.00 174.94 174.06 1nue s ALA 10 N -0.05 1.01 -0.20 9.38 0.00 -0.57 -0.59 121.76 130.74 1nue s ALA 10 Ca -0.02 -0.26 -0.23 0.00 0.00 0.00 0.00 51.96 51.45 1nue s ALA 10 Cb -0.11 -0.51 -0.02 0.00 0.00 0.00 0.00 23.12 22.48 1nue s ALA 10 CO 0.02 0.05 0.72 0.42 0.00 0.00 0.00 175.76 176.97 1nue s ILE 11 N 0.78 4.95 0.87 0.00 1.01 0.05 -0.65 121.20 128.21 1nue s ILE 11 Ca -0.13 1.37 -0.11 0.00 0.00 0.00 0.00 60.65 61.78 1nue s ILE 11 Cb -0.15 -4.03 0.11 0.00 0.01 0.00 0.00 42.46 38.40 1nue s ILE 11 CO 0.02 0.05 1.09 -0.54 0.00 0.00 0.00 174.94 175.56 1nue s LYS 12 N 2.18 1.51 0.34 2.79 1.02 0.07 -2.20 119.74 125.45 1nue s LYS 12 Ca 0.32 0.84 0.12 0.00 0.02 0.00 0.00 55.97 57.27 1nue s LYS 12 Cb -0.16 -1.84 0.94 0.00 -0.52 0.00 0.00 37.83 36.26 1nue s LYS 12 CO 0.10 -2.07 1.74 -1.35 -0.92 0.00 0.00 175.35 172.85 1nue h PRO 13 N -1.43 0.52 0.00 -1.68 0.11 -1.85 0.18 132.00 127.85 1nue h PRO 13 Ca -0.48 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.54 1nue h PRO 13 Cb 1.27 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1nue h PRO 13 CO 0.55 0.34 -0.25 0.38 -0.21 0.00 0.00 178.00 178.81 1nue h ASP 14 N 0.54 0.00 -0.07 -2.05 2.03 -1.89 -0.69 116.42 114.29 1nue h ASP 14 Ca 0.63 0.00 -0.19 0.00 -0.73 0.00 0.00 57.03 56.74 1nue h ASP 14 Cb 1.30 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.80 1nue h ASP 14 CO -0.42 0.25 -0.65 1.23 -1.03 0.00 0.00 179.24 178.62 1nue h GLY 15 N 1.16 0.76 0.64 7.15 0.00 -1.15 -1.41 103.07 110.22 1nue h GLY 15 Ca -0.00 -0.97 -0.04 0.00 0.00 0.00 0.00 47.33 46.32 1nue h GLY 15 CO 0.03 0.87 -0.11 -2.08 0.00 0.00 0.00 176.54 175.25 1nue h VAL 16 N 0.51 1.38 -0.44 4.60 2.07 -1.30 -1.37 116.25 121.70 1nue h VAL 16 Ca -0.01 -1.32 -0.01 0.00 0.82 0.00 0.00 66.70 66.18 1nue h VAL 16 Cb 1.24 2.06 -0.02 0.00 -1.52 0.00 0.00 31.29 33.05 1nue h VAL 16 CO 0.13 0.37 0.24 1.56 0.02 0.00 0.00 177.57 179.89 1nue h GLN 17 N -0.22 0.59 -0.28 1.57 1.08 -1.12 -2.16 115.11 114.57 1nue h GLN 17 Ca 0.01 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 1nue h GLN 17 Cb 0.65 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 27.95 1nue h GLN 17 CO 0.03 0.43 0.00 0.54 -0.95 0.00 0.00 178.83 178.88 1nue n ARG 18 N -4.43 1.70 -3.40 1.46 1.74 -0.54 -4.95 116.66 108.24 1nue n ARG 18 Ca 0.03 -1.08 -0.20 0.00 -0.77 0.00 0.00 57.85 55.84 1nue n ARG 18 Cb 0.09 -1.27 0.07 0.00 -1.02 0.00 0.00 32.46 30.33 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 1.01 -0.30 0.67 -0.13 0.00 -0.81 -4.94 105.19 100.68 1nue n GLY 19 Ca 0.11 0.10 0.06 0.00 0.00 0.00 0.00 46.02 46.29 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 -4.23 3.05 0.14 0.99 4.77 -0.53 -4.71 117.00 116.48 1nue n LEU 20 Ca -0.02 -2.13 -0.14 0.00 -0.03 0.00 0.00 56.01 53.69 1nue n LEU 20 Cb 0.56 -0.27 -0.08 0.00 -2.33 0.00 0.00 43.42 41.30 1nue n LEU 20 CO 0.54 0.72 0.80 0.58 -1.33 0.00 0.00 177.39 178.70 1nue h VAL 21 N 1.98 0.81 -0.66 4.08 2.07 -1.89 -1.58 116.25 121.06 1nue h VAL 21 Ca 0.00 -0.02 -0.06 0.00 0.82 0.00 0.00 66.70 67.44 1nue h VAL 21 Cb 0.82 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 1nue h VAL 21 CO 0.03 0.01 0.18 1.23 0.02 0.00 0.00 177.57 179.03 1nue h GLY 22 N -0.28 1.12 0.94 2.17 0.00 -1.96 -1.97 103.07 103.09 1nue h GLY 22 Ca -0.03 -0.69 0.02 0.00 0.00 0.00 0.00 47.33 46.63 1nue h GLY 22 CO 0.05 0.64 0.39 -2.09 0.00 0.00 0.00 176.54 175.52 1nue h GLU 23 N 0.97 0.75 -0.26 4.80 4.57 -1.83 -0.73 114.58 122.86 1nue h GLU 23 Ca 0.21 -0.05 -0.09 0.00 -1.18 0.00 0.00 59.36 58.25 1nue h GLU 23 Cb 0.34 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 28.75 1nue h GLU 23 CO -0.00 0.50 -0.19 0.82 -1.18 0.00 0.00 179.01 178.96 1nue h ILE 24 N 0.77 1.31 -0.88 2.32 2.04 -1.15 -2.89 117.51 119.04 1nue h ILE 24 Ca 0.23 -1.32 -0.02 0.00 1.00 0.00 0.00 64.86 64.75 1nue h ILE 24 Cb -0.04 1.61 -0.04 0.00 -0.74 0.00 0.00 36.82 37.61 1nue h ILE 24 CO -0.07 0.42 0.49 0.40 0.00 0.00 0.00 178.15 179.38 1nue h ILE 25 N 0.30 1.25 -0.85 -0.67 2.04 -1.23 -2.54 117.51 115.82 1nue h ILE 25 Ca 0.05 -0.62 0.03 0.00 1.00 0.00 0.00 64.86 65.32 1nue h ILE 25 Cb 0.73 0.05 -0.05 0.00 -0.74 0.00 0.00 36.82 36.81 1nue h ILE 25 CO 0.05 0.28 0.56 0.50 0.00 0.00 0.00 178.15 179.54 1nue h LYS 26 N 1.23 1.04 -0.65 2.37 3.64 -1.08 -1.37 116.57 121.75 1nue h LYS 26 Ca 0.31 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 1nue h LYS 26 Cb 0.01 -0.24 -0.03 0.00 -0.41 0.00 0.00 32.23 31.57 1nue h LYS 26 CO -0.05 0.69 0.41 0.00 -2.27 0.00 0.00 179.45 178.23 1nue h ARG 27 N 1.08 0.87 0.00 1.90 3.08 -1.23 -1.10 114.38 118.97 1nue h ARG 27 Ca 0.34 -0.06 -0.23 0.00 0.07 0.00 0.00 59.98 60.09 1nue h ARG 27 Cb 0.01 -0.19 0.01 0.00 0.08 0.00 0.00 29.97 29.87 1nue h ARG 27 CO -0.10 0.60 -0.97 0.74 -1.07 0.00 0.00 179.97 179.18 1nue h PHE 28 N 0.90 0.70 -0.20 3.04 0.04 -1.26 -3.00 116.94 117.16 1nue h PHE 28 Ca 0.24 -0.38 -0.02 0.00 2.80 0.00 0.00 57.97 60.61 1nue h PHE 28 Cb -0.06 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 38.00 1nue h PHE 28 CO 0.00 1.21 0.05 0.93 -0.60 0.00 0.00 178.31 179.90 1nue h GLU 29 N 0.26 0.32 -0.51 1.51 5.08 -0.94 -2.97 114.58 117.34 1nue h GLU 29 Ca -0.09 -0.07 0.04 0.00 -1.00 0.00 0.00 59.36 58.24 1nue h GLU 29 Cb 1.61 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.78 1nue h GLU 29 CO 0.17 0.44 0.34 1.96 -1.00 0.00 0.00 179.01 180.92 1nue h GLN 30 N 0.14 0.51 0.00 2.33 4.20 -1.28 -1.89 115.11 119.13 1nue h GLN 30 Ca 0.06 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.71 1nue h GLN 30 Cb 0.26 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 27.92 1nue h GLN 30 CO -0.00 0.34 -0.17 -0.22 -0.67 0.00 0.00 178.83 178.11 1nue h LYS 31 N 0.53 0.00 0.00 1.46 1.63 -1.44 -3.47 116.57 115.28 1nue h LYS 31 Ca 0.21 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.01 1nue h LYS 31 Cb 0.18 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.81 1nue h LYS 31 CO -0.06 0.17 0.00 0.41 -3.45 0.00 0.00 179.45 176.52 1nue n GLY 32 N -0.10 0.90 3.82 5.01 0.00 -0.71 -5.10 105.19 109.00 1nue n GLY 32 Ca -0.00 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 3.25 -0.17 1.61 0.08 -1.13 -5.00 117.98 114.62 1nue s PHE 33 Ca 0.00 1.55 -0.08 0.00 0.12 0.00 0.00 56.93 58.53 1nue s PHE 33 Cb 0.00 -2.89 -0.04 0.00 -0.57 0.00 0.00 43.02 39.51 1nue s PHE 33 CO 0.00 -0.43 0.09 0.50 -0.10 0.00 0.00 175.22 175.28 1nue s ARG 34 N -3.53 3.84 -0.16 0.44 3.52 -0.52 -4.62 118.95 117.93 1nue s ARG 34 Ca 0.62 -0.27 -0.29 0.00 -0.13 0.00 0.00 55.73 55.66 1nue s ARG 34 Cb -0.11 -3.23 -0.01 0.00 -1.56 0.00 0.00 34.95 30.04 1nue s ARG 34 CO 0.22 0.42 1.08 -1.17 -0.81 0.00 0.00 175.30 175.04 1nue s LEU 35 N -0.02 4.18 -0.17 -0.88 2.96 -1.26 -0.35 118.68 123.14 1nue s LEU 35 Ca 0.08 1.53 0.14 0.00 -0.22 0.00 0.00 54.13 55.65 1nue s LEU 35 Cb -0.12 -3.55 -0.20 0.00 0.50 0.00 0.00 46.19 42.82 1nue s LEU 35 CO 0.00 -0.60 0.03 0.52 -1.32 0.00 0.00 176.35 174.99 1nue n VAL 36 N 4.99 1.17 -3.52 1.68 0.31 0.11 -4.94 118.33 118.12 1nue n VAL 36 Ca 0.11 -0.70 -0.16 0.00 -0.01 0.00 0.00 64.34 63.59 1nue n VAL 36 Cb 0.47 -0.62 -0.05 0.00 -0.91 0.00 0.00 33.84 32.72 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 -2.41 -1.61 -0.28 3.52 0.00 -1.14 -0.71 121.76 119.12 1nue s ALA 37 Ca -0.10 1.00 -0.19 0.00 0.00 0.00 0.00 51.96 52.66 1nue s ALA 37 Cb 0.05 0.23 0.12 0.00 0.00 0.00 0.00 23.12 23.52 1nue s ALA 37 CO 0.68 -0.46 0.92 1.41 0.00 0.00 0.00 175.76 178.30 1nue s MET 38 N -1.86 0.52 0.10 0.00 0.00 -1.26 -0.99 119.30 115.81 1nue s MET 38 Ca -0.08 0.78 -0.14 0.00 0.00 0.00 0.00 55.69 56.25 1nue s MET 38 Cb -0.01 0.16 0.02 0.00 0.00 0.00 0.00 34.83 35.01 1nue s MET 38 CO 0.04 -0.09 0.33 -1.59 0.00 0.00 0.00 175.02 173.71 1nue s LYS 39 N 1.00 0.97 -0.12 4.11 -2.85 -0.26 -5.00 119.74 117.59 1nue s LYS 39 Ca -0.05 -0.73 0.02 0.00 -1.00 0.00 0.00 55.97 54.21 1nue s LYS 39 Cb -0.04 0.42 -0.00 0.00 -2.06 0.00 0.00 37.83 36.14 1nue s LYS 39 CO -0.12 -0.35 -0.20 0.12 0.10 0.00 0.00 175.35 174.90 1nue s PHE 40 N -3.58 2.67 0.12 1.78 5.36 -1.26 -0.68 117.98 122.38 1nue s PHE 40 Ca 0.02 -0.98 -0.25 0.00 -0.96 0.00 0.00 56.93 54.76 1nue s PHE 40 Cb 0.02 -1.78 0.07 0.00 -0.34 0.00 0.00 43.02 40.99 1nue s PHE 40 CO -0.10 -0.40 0.80 -0.48 -1.46 0.00 0.00 175.22 173.58 1nue s LEU 41 N 0.46 -0.36 -0.31 6.12 2.34 -0.75 -4.97 118.68 121.21 1nue s LEU 41 Ca -0.14 -0.18 -0.09 0.00 0.06 0.00 0.00 54.13 53.78 1nue s LEU 41 Cb -0.17 2.33 -0.01 0.00 -0.56 0.00 0.00 46.19 47.78 1nue s LEU 41 CO 0.06 -0.89 0.14 -0.60 -1.06 0.00 0.00 176.35 173.99 1nue s ARG 42 N -3.46 3.34 0.29 1.48 3.52 -1.26 -0.17 118.95 122.68 1nue s ARG 42 Ca 0.06 -0.72 -0.28 0.00 -0.13 0.00 0.00 55.73 54.67 1nue s ARG 42 Cb -0.02 -3.54 -0.09 0.00 -1.56 0.00 0.00 34.95 29.74 1nue s ARG 42 CO -0.05 -0.41 0.97 0.00 -0.81 0.00 0.00 175.30 175.00 1nue s ALA 43 N 1.61 3.28 0.73 6.12 0.00 -1.26 -5.02 121.76 127.22 1nue s ALA 43 Ca 0.05 0.63 -0.11 0.00 0.00 0.00 0.00 51.96 52.53 1nue s ALA 43 Cb -0.17 -3.22 0.03 0.00 0.00 0.00 0.00 23.12 19.76 1nue s ALA 43 CO 0.06 0.11 1.07 -1.54 0.00 0.00 0.00 175.76 175.47 1nue s SER 44 N -1.32 5.02 0.39 0.00 1.04 -1.26 -4.64 113.70 112.93 1nue s SER 44 Ca 0.46 1.67 0.06 0.00 0.48 0.00 0.00 55.95 58.62 1nue s SER 44 Cb -0.24 -2.48 0.80 0.00 0.10 0.00 0.00 66.02 64.20 1nue s SER 44 CO 0.30 -1.68 2.03 -0.33 0.98 0.00 0.00 173.24 174.54 1nue h GLU 45 N -0.89 0.63 -0.37 4.02 5.08 -1.96 -0.86 114.58 120.24 1nue h GLU 45 Ca -0.44 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 57.75 1nue h GLU 45 Cb 1.22 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 1nue h GLU 45 CO 0.55 0.42 -0.30 1.49 -1.00 0.00 0.00 179.01 180.17 1nue h GLU 46 N 0.65 0.79 -0.33 2.33 4.57 -1.99 -1.03 114.58 119.57 1nue h GLU 46 Ca 0.20 -0.36 -0.00 0.00 -1.18 0.00 0.00 59.36 58.01 1nue h GLU 46 Cb -0.00 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.56 1nue h GLU 46 CO -0.05 0.99 0.20 1.25 -1.18 0.00 0.00 179.01 180.22 1nue h HIS 47 N 0.67 0.44 -0.55 0.92 2.76 -1.68 -2.05 115.15 115.66 1nue h HIS 47 Ca 0.08 -0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.19 1nue h HIS 47 Cb 0.84 -0.14 -0.02 0.00 1.55 0.00 0.00 27.41 29.63 1nue h HIS 47 CO 0.04 0.33 0.12 -0.07 -1.30 0.00 0.00 177.93 177.05 1nue h LEU 48 N 0.43 0.80 -0.79 0.26 3.38 -0.86 -1.37 115.31 117.15 1nue h LEU 48 Ca 0.12 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 1nue h LEU 48 Cb 0.02 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1nue h LEU 48 CO -0.02 0.80 -0.02 0.11 0.09 0.00 0.00 178.44 179.39 1nue h LYS 49 N 0.82 0.89 -0.36 1.13 1.57 -1.02 -1.74 116.57 117.86 1nue h LYS 49 Ca 0.18 -0.27 -0.04 0.00 -1.87 0.00 0.00 60.65 58.65 1nue h LYS 49 Cb 0.32 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 1nue h LYS 49 CO 0.00 0.90 0.05 1.96 -0.57 0.00 0.00 179.45 181.80 1nue h GLN 50 N 0.82 0.59 -0.28 3.15 1.08 -0.92 0.11 115.11 119.66 1nue h GLN 50 Ca 0.15 -0.16 0.03 0.00 -1.45 0.00 0.00 58.65 57.22 1nue h GLN 50 Cb 0.52 -0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 27.85 1nue h GLN 50 CO 0.03 0.66 0.09 1.25 -0.95 0.00 0.00 178.83 179.91 1nue h HIS 51 N 0.43 0.17 -0.97 2.96 2.76 -1.01 -2.48 115.15 117.00 1nue h HIS 51 Ca 0.11 0.01 -0.63 0.00 -2.20 0.00 0.00 60.37 57.66 1nue h HIS 51 Cb 0.36 -0.03 -0.30 0.00 1.55 0.00 0.00 27.41 28.99 1nue h HIS 51 CO 0.02 0.07 0.73 0.66 -1.30 0.00 0.00 177.93 178.12 1nue n TYR 52 N -5.04 3.14 0.25 5.26 4.01 -0.68 -4.73 117.16 119.37 1nue n TYR 52 Ca -0.01 -2.75 0.08 0.00 -0.16 0.00 0.00 57.90 55.06 1nue n TYR 52 Cb 0.10 -1.29 0.62 0.00 -0.31 0.00 0.00 39.34 38.46 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 1.06 0.96 0.00 -0.72 2.10 -0.28 -0.64 117.51 119.99 1nue h ILE 53 Ca 0.59 -0.36 0.00 0.00 1.08 0.00 0.00 64.86 66.17 1nue h ILE 53 Cb 1.24 1.20 0.00 0.00 -1.09 0.00 0.00 36.82 38.17 1nue h ILE 53 CO 1.44 0.10 0.00 -0.90 -1.08 0.00 0.00 178.15 177.71 1nue n ASP 54 N -4.25 0.37 -0.86 2.19 5.75 -1.26 -1.81 116.55 116.68 1nue n ASP 54 Ca -0.03 0.61 0.08 0.00 -0.01 0.00 0.00 54.79 55.44 1nue n ASP 54 Cb 0.18 -0.68 0.18 0.00 -1.03 0.00 0.00 41.12 39.77 1nue n ASP 54 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1nue n LEU 55 N -1.93 3.08 -0.24 -2.12 4.77 -0.25 -4.69 117.00 115.62 1nue n LEU 55 Ca 0.02 -1.71 0.24 0.00 -0.03 0.00 0.00 56.01 54.54 1nue n LEU 55 Cb 0.17 -0.24 0.60 0.00 -2.33 0.00 0.00 43.42 41.62 1nue n LEU 55 CO 0.15 0.72 1.24 0.07 -1.33 0.00 0.00 177.39 178.24 1nue h LYS 56 N 3.07 0.23 -0.22 3.23 2.10 -1.40 -0.66 116.57 122.92 1nue h LYS 56 Ca 0.00 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 1nue h LYS 56 Cb 0.80 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 32.08 1nue h LYS 56 CO 0.00 0.15 0.00 -0.25 -2.00 0.00 0.00 179.45 177.35 1nue n ASP 57 N -4.43 1.75 -4.82 7.07 8.00 -1.26 -4.84 116.55 118.01 1nue n ASP 57 Ca 0.21 -1.79 -0.35 0.00 0.71 0.00 0.00 54.79 53.58 1nue n ASP 57 Cb 0.87 -0.14 -0.06 0.00 -0.02 0.00 0.00 41.12 41.76 1nue n ASP 57 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1nue s ARG 58 N -1.72 4.19 0.33 -1.24 1.81 -0.26 -4.97 118.95 117.10 1nue s ARG 58 Ca 0.30 0.86 0.04 0.00 -1.72 0.00 0.00 55.73 55.21 1nue s ARG 58 Cb 0.16 -2.64 0.65 0.00 -0.45 0.00 0.00 34.95 32.68 1nue s ARG 58 CO 0.24 0.25 1.92 -1.35 -0.68 0.00 0.00 175.30 175.68 1nue h PRO 59 N 2.82 0.85 -0.00 3.54 0.11 -1.90 -1.84 132.00 135.57 1nue h PRO 59 Ca -0.48 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1nue h PRO 59 Cb 1.18 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1nue h PRO 59 CO 0.65 0.56 -0.02 1.97 -0.21 0.00 0.00 178.00 180.95 1nue n PHE 60 N -4.50 0.00 -0.30 0.65 1.16 -1.26 -4.31 117.46 108.90 1nue n PHE 60 Ca 0.13 0.00 0.14 0.00 -1.87 0.00 0.00 57.45 55.86 1nue n PHE 60 Cb 0.26 -0.47 0.31 0.00 -1.61 0.00 0.00 39.48 37.97 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 0.45 -0.45 2.97 3.57 -1.58 -1.81 116.94 120.10 1nue h PHE 61 Ca 0.00 0.05 -0.10 0.00 3.53 0.00 0.00 57.97 61.45 1nue h PHE 61 Cb 0.48 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 1nue h PHE 61 CO 0.00 -0.19 -0.11 -1.35 -2.23 0.00 0.00 178.31 174.43 1nue h PRO 62 N 0.24 0.87 0.00 6.41 0.11 -1.81 -2.44 132.00 135.38 1nue h PRO 62 Ca 0.57 -0.33 -0.09 0.00 0.11 0.00 0.00 66.00 66.27 1nue h PRO 62 Cb 1.18 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1nue h PRO 62 CO -0.64 0.97 -0.42 0.78 -0.21 0.00 0.00 178.00 178.48 1nue h GLY 63 N 0.70 0.00 0.89 -0.55 0.00 -1.66 -2.46 103.07 99.98 1nue h GLY 63 Ca 0.11 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.35 1nue h GLY 63 CO 0.04 0.00 -0.23 -2.00 0.00 0.00 0.00 176.54 174.35 1nue h LEU 64 N 0.00 0.62 -0.39 3.11 5.85 -1.28 -1.95 115.31 121.26 1nue h LEU 64 Ca -0.00 -0.47 -0.05 0.00 0.84 0.00 0.00 57.88 58.19 1nue h LEU 64 Cb 0.88 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 1nue h LEU 64 CO 0.05 0.97 0.04 0.58 -0.34 0.00 0.00 178.44 179.74 1nue h VAL 65 N 0.28 1.25 -0.57 1.05 2.07 -1.37 -1.03 116.25 117.92 1nue h VAL 65 Ca 0.04 -0.92 -0.03 0.00 0.82 0.00 0.00 66.70 66.60 1nue h VAL 65 Cb 0.79 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.61 1nue h VAL 65 CO 0.06 0.31 0.22 0.11 0.02 0.00 0.00 177.57 178.29 1nue h LYS 66 N 0.51 0.84 -0.23 1.57 1.79 -1.47 -2.03 116.57 117.54 1nue h LYS 66 Ca 0.12 -0.13 -0.09 0.00 -2.18 0.00 0.00 60.65 58.37 1nue h LYS 66 Cb 0.41 -0.15 -0.00 0.00 -1.58 0.00 0.00 32.23 30.91 1nue h LYS 66 CO 0.01 0.70 -0.20 -0.92 -1.08 0.00 0.00 179.45 177.96 1nue h TYR 67 N 0.83 0.64 0.00 -1.35 3.20 -1.18 -2.62 116.97 116.50 1nue h TYR 67 Ca 0.19 -0.19 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 1nue h TYR 67 Cb 0.18 -0.14 -0.00 0.00 1.54 0.00 0.00 36.73 38.31 1nue h TYR 67 CO 0.01 0.86 -0.05 0.52 -1.64 0.00 0.00 178.16 177.86 1nue h MET 68 N 0.24 0.00 -0.01 1.82 2.86 -0.89 -2.21 114.93 116.74 1nue h MET 68 Ca 0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1nue h MET 68 Cb 0.74 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.40 1nue h MET 68 CO 0.05 0.05 -0.39 -1.71 1.06 0.00 0.00 176.91 175.97 1nue n ASN 69 N -3.31 1.56 0.00 1.22 2.85 -0.79 -4.36 115.26 112.43 1nue n ASN 69 Ca -0.01 -1.23 0.12 0.00 -0.11 0.00 0.00 54.58 53.36 1nue n ASN 69 Cb 0.22 0.34 0.63 0.00 1.24 0.00 0.00 39.78 42.20 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 -0.33 0.00 -3.48 1.20 3.41 -0.83 -4.86 113.62 108.73 1nue n SER 70 Ca 0.10 -0.03 -0.05 0.00 -0.26 0.00 0.00 58.87 58.64 1nue n SER 70 Cb 0.41 -0.30 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 1nue n SER 70 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1nue s GLY 71 N -2.60 0.01 0.75 5.00 0.00 -1.26 -5.10 107.32 104.12 1nue s GLY 71 Ca 0.23 -0.24 -0.11 0.00 0.00 0.00 0.00 44.72 44.61 1nue s GLY 71 CO 0.39 0.77 1.08 2.56 0.00 0.00 0.00 173.10 177.90 1nue s PRO 72 N -2.78 2.47 0.10 2.90 0.04 -1.26 -4.63 135.00 131.84 1nue s PRO 72 Ca 0.16 1.05 0.07 0.00 0.04 0.00 0.00 61.00 62.32 1nue s PRO 72 Cb -0.03 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.55 1nue s PRO 72 CO 0.05 -1.46 -0.18 0.08 0.04 0.00 0.00 177.00 175.54 1nue s VAL 73 N -2.97 1.47 -0.32 -0.36 1.01 0.76 -3.67 120.40 116.33 1nue s VAL 73 Ca 0.60 -1.50 -0.07 0.00 0.00 0.00 0.00 61.98 61.01 1nue s VAL 73 Cb -0.16 -1.40 0.02 0.00 0.00 0.00 0.00 36.38 34.84 1nue s VAL 73 CO 0.56 -0.17 0.11 -0.69 0.00 0.00 0.00 175.10 174.91 1nue s VAL 74 N -1.34 4.06 -0.16 2.92 1.01 -0.94 -1.81 120.40 124.14 1nue s VAL 74 Ca 0.04 -0.79 -0.09 0.00 0.00 0.00 0.00 61.98 61.14 1nue s VAL 74 Cb -0.09 -3.16 -0.05 0.00 0.00 0.00 0.00 36.38 33.08 1nue s VAL 74 CO 0.04 -0.02 0.16 0.00 0.00 0.00 0.00 175.10 175.27 1nue s ALA 75 N 1.50 3.76 0.04 5.51 0.00 0.14 -0.77 121.76 131.94 1nue s ALA 75 Ca 0.02 -0.63 -0.04 0.00 0.00 0.00 0.00 51.96 51.31 1nue s ALA 75 Cb -0.18 -2.11 -0.02 0.00 0.00 0.00 0.00 23.12 20.81 1nue s ALA 75 CO 0.03 0.36 0.05 -1.64 0.00 0.00 0.00 175.76 174.56 1nue s MET 76 N -0.26 0.58 -0.12 0.00 -1.94 0.24 -1.10 119.30 116.70 1nue s MET 76 Ca 0.12 -0.90 0.02 0.00 -1.71 0.00 0.00 55.69 53.22 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 -0.13 -0.18 0.08 -0.01 0.00 0.00 175.02 174.80 1nue s VAL 77 N -2.97 1.70 0.00 -6.03 1.01 -0.16 -1.46 120.40 112.49 1nue s VAL 77 Ca -0.02 -0.76 0.06 0.00 0.00 0.00 0.00 61.98 61.26 1nue s VAL 77 Cb 0.01 -1.53 -0.03 0.00 0.00 0.00 0.00 36.38 34.83 1nue s VAL 77 CO -0.06 0.48 -0.17 0.26 0.00 0.00 0.00 175.10 175.61 1nue s TRP 78 N 0.96 2.61 0.02 5.22 0.52 -0.85 0.04 118.94 127.46 1nue s TRP 78 Ca -0.06 -0.22 0.09 0.00 0.02 0.00 0.00 56.10 55.92 1nue s TRP 78 Cb -0.15 -1.53 -0.03 0.00 -1.15 0.00 0.00 33.47 30.61 1nue s TRP 78 CO -0.02 0.21 -0.26 -2.00 0.02 0.00 0.00 176.95 174.90 1nue s GLU 79 N -1.13 1.92 0.00 4.98 2.12 0.52 -1.55 118.70 125.56 1nue s GLU 79 Ca 0.13 -1.04 0.00 0.00 0.36 0.00 0.00 54.97 54.42 1nue s GLU 79 Cb -0.11 -2.02 0.00 0.00 0.26 0.00 0.00 34.13 32.27 1nue s GLU 79 CO 0.03 0.53 0.00 0.41 -0.54 0.00 0.00 175.26 175.69 1nue n GLY 80 N 1.97 1.99 3.66 -1.50 0.00 -0.31 -1.44 105.19 109.56 1nue n GLY 80 Ca -0.17 -0.86 -0.42 0.00 0.00 0.00 0.00 46.02 44.58 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 4.43 -1.78 0.99 2.96 -1.26 -1.84 118.68 122.18 1nue s LEU 81 Ca 0.00 2.66 0.00 0.00 -0.22 0.00 0.00 54.13 56.57 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 -1.05 0.00 0.59 -1.32 0.00 0.00 176.35 174.57 1nue n ASN 82 N 7.36 -5.53 0.10 3.68 4.13 -1.26 -4.88 115.26 118.86 1nue n ASN 82 Ca 0.20 0.12 0.09 0.00 1.68 0.00 0.00 54.58 56.67 1nue n ASN 82 Cb 0.41 -4.68 0.57 0.00 -1.54 0.00 0.00 39.78 34.53 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 0.97 0.90 2.41 3.04 -1.66 -1.16 116.25 120.75 1nue h VAL 83 Ca -0.45 -0.07 -0.04 0.00 -1.01 0.00 0.00 66.70 65.12 1nue h VAL 83 Cb 1.33 0.75 0.01 0.00 -2.01 0.00 0.00 31.29 31.37 1nue h VAL 83 CO 0.56 0.04 -0.43 0.58 -1.01 0.00 0.00 177.57 177.31 1nue h VAL 84 N 0.21 0.00 -0.50 1.51 2.07 -1.85 0.73 116.25 118.41 1nue h VAL 84 Ca 0.12 -0.06 -0.00 0.00 0.82 0.00 0.00 66.70 67.58 1nue h VAL 84 Cb 0.21 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.96 1nue h VAL 84 CO -0.02 0.00 0.30 0.50 0.02 0.00 0.00 177.57 178.36 1nue h LYS 85 N -1.27 0.69 -0.33 1.57 1.63 -1.86 -2.26 116.57 114.74 1nue h LYS 85 Ca -0.12 -0.07 -0.13 0.00 -0.85 0.00 0.00 60.65 59.48 1nue h LYS 85 Cb 0.93 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 32.41 1nue h LYS 85 CO 0.20 0.51 -0.32 1.15 -3.45 0.00 0.00 179.45 177.54 1nue h THR 86 N 0.67 1.28 -0.82 1.00 2.02 -1.21 -1.88 112.91 113.97 1nue h THR 86 Ca 0.18 -1.47 0.04 0.00 0.77 0.00 0.00 66.41 65.94 1nue h THR 86 Cb 0.01 1.37 -0.05 0.00 -1.74 0.00 0.00 68.15 67.74 1nue h THR 86 CO -0.03 0.48 0.54 1.23 0.37 0.00 0.00 175.52 178.11 1nue h GLY 87 N 0.96 1.17 1.05 2.16 0.00 0.65 -0.45 103.07 108.61 1nue h GLY 87 Ca 0.07 -0.39 -0.10 0.00 0.00 0.00 0.00 47.33 46.91 1nue h GLY 87 CO 0.07 0.32 -0.09 3.21 0.00 0.00 0.00 176.54 180.06 1nue h ARG 88 N 0.98 0.94 -0.73 4.80 2.47 -0.89 -1.89 114.38 120.06 1nue h ARG 88 Ca 0.34 -0.34 -0.06 0.00 -1.26 0.00 0.00 59.98 58.65 1nue h ARG 88 Cb 0.10 -0.06 -0.03 0.00 -1.65 0.00 0.00 29.97 28.32 1nue h ARG 88 CO -0.11 1.01 0.22 0.28 0.56 0.00 0.00 179.97 181.93 1nue h VAL 89 N 0.80 1.26 -0.30 2.04 2.07 -0.61 -2.56 116.25 118.96 1nue h VAL 89 Ca 0.13 -0.90 -0.07 0.00 0.82 0.00 0.00 66.70 66.68 1nue h VAL 89 Cb 0.64 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 1nue h VAL 89 CO 0.04 0.35 -0.12 0.24 0.02 0.00 0.00 177.57 178.10 1nue h MET 90 N 1.08 0.50 -0.30 1.57 2.86 -0.79 -3.00 114.93 116.85 1nue h MET 90 Ca 0.24 -0.15 -0.17 0.00 -2.06 0.00 0.00 59.70 57.56 1nue h MET 90 Cb 0.31 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 31.91 1nue h MET 90 CO -0.01 0.62 -0.49 -0.07 1.06 0.00 0.00 176.91 178.03 1nue h LEU 91 N 0.47 0.91 0.00 1.22 3.38 -1.08 -0.95 115.31 119.25 1nue h LEU 91 Ca 0.09 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1nue h LEU 91 Cb 0.50 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1nue h LEU 91 CO 0.03 1.24 0.00 0.61 0.09 0.00 0.00 178.44 180.41 1nue n GLY 92 N 0.26 -1.25 3.88 0.83 0.00 -0.99 -1.26 105.19 106.66 1nue n GLY 92 Ca -0.03 -2.09 -0.29 0.00 0.00 0.00 0.00 46.02 43.60 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 3.71 0.30 1.61 0.41 -1.26 -4.79 118.70 118.68 1nue s GLU 93 Ca 0.00 0.40 0.06 0.00 -0.41 0.00 0.00 54.97 55.02 1nue s GLU 93 Cb 0.00 -2.38 0.80 0.00 -1.78 0.00 0.00 34.13 30.77 1nue s GLU 93 CO 0.00 -0.09 1.69 1.15 -0.49 0.00 0.00 175.26 177.53 1nue h THR 94 N 0.84 0.45 -3.60 3.63 2.02 -1.97 -3.34 112.91 110.95 1nue h THR 94 Ca -0.47 -0.14 -0.64 0.00 0.77 0.00 0.00 66.41 65.93 1nue h THR 94 Cb 1.19 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 67.46 1nue h THR 94 CO 0.63 0.08 -0.03 0.21 0.37 0.00 0.00 175.52 176.77 1nue s ASN 95 N -5.14 6.34 0.49 4.18 3.84 -1.26 -4.72 114.94 118.67 1nue s ASN 95 Ca -0.11 0.04 0.25 0.00 0.21 0.00 0.00 52.86 53.25 1nue s ASN 95 Cb 0.26 -2.27 1.31 0.00 -0.55 0.00 0.00 41.25 40.00 1nue s ASN 95 CO 0.78 -0.47 1.91 -0.65 -2.79 0.00 0.00 177.10 175.88 1nue h PRO 96 N 8.42 0.15 0.00 0.43 0.11 -1.77 0.08 132.00 139.41 1nue h PRO 96 Ca -0.28 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.81 1nue h PRO 96 Cb 1.13 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 1nue h PRO 96 CO 0.77 0.10 -0.08 0.00 -0.21 0.00 0.00 178.00 178.58 1nue h ALA 97 N 1.62 1.31 -0.02 -0.75 0.00 -1.86 -1.39 119.26 118.16 1nue h ALA 97 Ca 0.39 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1nue h ALA 97 Cb 1.32 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1nue h ALA 97 CO -0.06 0.10 -0.09 -0.25 0.00 0.00 0.00 179.25 178.94 1nue n ASP 98 N -3.63 2.27 -4.78 0.00 8.00 0.01 -4.95 116.55 113.48 1nue n ASP 98 Ca -0.02 -1.70 -0.38 0.00 0.71 0.00 0.00 54.79 53.40 1nue n ASP 98 Cb 0.19 0.08 -0.06 0.00 -0.02 0.00 0.00 41.12 41.31 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 -2.12 7.34 0.20 -2.24 0.01 -0.53 -4.67 113.70 111.70 1nue s SER 99 Ca 0.29 1.66 -0.10 0.00 1.31 0.00 0.00 55.95 59.11 1nue s SER 99 Cb 0.20 -2.51 -0.07 0.00 0.21 0.00 0.00 66.02 63.85 1nue s SER 99 CO 0.37 0.13 0.53 -0.54 0.41 0.00 0.00 173.24 174.14 1nue s LYS 100 N -1.46 3.83 0.41 12.44 -0.14 -1.26 -4.63 119.74 128.93 1nue s LYS 100 Ca 0.40 0.30 -0.26 0.00 -1.36 0.00 0.00 55.97 55.05 1nue s LYS 100 Cb -0.21 -2.74 -0.10 0.00 -1.68 0.00 0.00 37.83 33.10 1nue s LYS 100 CO 0.25 0.37 1.26 -2.30 -0.76 0.00 0.00 175.35 174.17 1nue n PRO 101 N 0.14 1.92 0.00 -1.68 -0.02 -1.26 -1.75 135.00 132.35 1nue n PRO 101 Ca -0.01 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 1nue n PRO 101 Cb 0.52 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 1nue n PRO 101 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nue n GLY 102 N 0.83 2.02 3.91 -1.23 0.00 -1.26 -4.97 105.19 104.49 1nue n GLY 102 Ca 0.06 -0.26 -0.27 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.59 4.06 0.07 2.61 -4.23 -0.71 -4.91 115.64 110.94 1nue s THR 103 Ca 0.00 0.12 -0.24 0.00 -1.18 0.00 0.00 61.69 60.39 1nue s THR 103 Cb 0.00 -3.59 -0.16 0.00 1.34 0.00 0.00 72.50 70.09 1nue s THR 103 CO 0.00 -0.62 1.65 0.40 -0.54 0.00 0.00 174.62 175.52 1nue h ILE 104 N -0.08 1.01 -0.08 2.99 2.04 -1.20 -0.85 117.51 121.34 1nue h ILE 104 Ca -0.46 -0.18 -0.12 0.00 1.00 0.00 0.00 64.86 65.11 1nue h ILE 104 Cb 1.24 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 38.43 1nue h ILE 104 CO 0.61 0.04 -0.49 0.03 0.00 0.00 0.00 178.15 178.35 1nue h ARG 105 N -0.14 0.20 -0.43 2.37 3.08 -1.43 -1.40 114.38 116.62 1nue h ARG 105 Ca -0.01 -0.11 -0.08 0.00 0.07 0.00 0.00 59.98 59.85 1nue h ARG 105 Cb 0.12 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 1nue h ARG 105 CO 0.01 0.65 -0.08 0.78 -1.07 0.00 0.00 179.97 180.26 1nue h GLY 106 N 1.35 0.80 1.44 0.04 0.00 -1.69 -2.75 103.07 102.27 1nue h GLY 106 Ca 0.01 -0.58 -0.27 0.00 0.00 0.00 0.00 47.33 46.49 1nue h GLY 106 CO 0.07 0.53 -1.39 -0.55 0.00 0.00 0.00 176.54 175.21 1nue h ASP 107 N 0.68 0.20 -0.00 0.19 3.32 -0.99 -3.43 116.42 116.40 1nue h ASP 107 Ca 0.12 -0.27 0.00 0.00 0.02 0.00 0.00 57.03 56.90 1nue h ASP 107 Cb 0.53 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.02 1nue h ASP 107 CO 0.03 1.23 -0.13 0.49 -1.72 0.00 0.00 179.24 179.14 1nue n PHE 108 N -3.35 0.00 -4.01 4.55 3.72 -0.54 -5.08 117.46 112.75 1nue n PHE 108 Ca -0.11 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.19 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 -0.27 0.44 -4.43 0.00 5.41 -1.26 -4.74 119.36 114.51 1nue n ILE 110 Ca -0.04 -0.15 -0.31 0.00 1.00 0.00 0.00 62.75 63.24 1nue n ILE 110 Cb 0.63 -0.99 -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 -2.15 2.42 0.54 0.38 0.74 -1.26 -3.87 119.66 116.46 1nue s GLN 111 Ca -0.11 -0.81 0.20 0.00 0.05 0.00 0.00 55.36 54.69 1nue s GLN 111 Cb 0.03 -2.43 1.42 0.00 1.10 0.00 0.00 33.01 33.13 1nue s GLN 111 CO 0.17 0.58 2.17 -0.24 -0.55 0.00 0.00 175.29 177.42 1nue h VAL 112 N 3.65 0.86 -0.00 1.34 3.04 -1.94 -1.45 116.25 121.75 1nue h VAL 112 Ca -0.48 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.21 1nue h VAL 112 Cb 1.17 0.99 0.00 0.00 -2.01 0.00 0.00 31.29 31.43 1nue h VAL 112 CO 0.53 0.00 -0.01 0.61 -1.01 0.00 0.00 177.57 177.69 1nue n GLY 113 N -1.49 -1.45 2.25 3.17 0.00 -1.26 -3.93 105.19 102.48 1nue n GLY 113 Ca -0.03 -0.11 -0.25 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.46 0.97 -1.24 1.61 5.12 -0.55 -4.98 116.66 116.13 1nue n ARG 114 Ca 0.08 -3.46 -0.18 0.00 -1.93 0.00 0.00 57.85 52.36 1nue n ARG 114 Cb 0.32 -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 1.44 4.28 0.00 0.55 6.94 -1.21 -4.34 115.26 122.92 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 -0.67 0.00 0.00 -2.36 0.00 0.00 39.78 37.25 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 -1.00 0.00 -3.68 1.53 -5.35 -1.26 -4.78 119.36 104.82 1nue n ILE 116 Ca 0.45 0.00 -0.10 0.00 -0.27 0.00 0.00 62.75 62.83 1nue n ILE 116 Cb 1.02 0.00 -0.05 0.00 -1.74 0.00 0.00 39.64 38.87 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 0.08 0.02 7.28 2.07 -1.26 -0.75 121.20 128.63 1nue s ILE 117 Ca 0.00 -0.68 0.04 0.00 -1.41 0.00 0.00 60.65 58.60 1nue s ILE 117 Cb 0.00 -1.18 -0.02 0.00 0.13 0.00 0.00 42.46 41.39 1nue s ILE 117 CO 0.00 -0.38 -0.13 -2.28 -1.91 0.00 0.00 174.94 170.25 1nue s HIS 118 N -3.71 1.12 -0.05 3.50 5.65 0.18 -4.87 115.29 117.11 1nue s HIS 118 Ca 0.03 -0.29 -0.03 0.00 0.25 0.00 0.00 55.06 55.01 1nue s HIS 118 Cb 0.02 -0.69 0.02 0.00 -1.18 0.00 0.00 32.58 30.75 1nue s HIS 118 CO -0.11 0.01 0.11 0.20 -0.65 0.00 0.00 174.74 174.30 1nue s GLY 119 N -0.79 -0.06 0.45 1.59 0.00 -1.26 -1.50 107.32 105.75 1nue s GLY 119 Ca 0.02 0.40 -0.24 0.00 0.00 0.00 0.00 44.72 44.91 1nue s GLY 119 CO 0.00 0.47 1.14 1.44 0.00 0.00 0.00 173.10 176.16 1nue n SER 120 N 3.38 1.86 -0.60 1.64 7.64 -0.81 -4.93 113.62 121.81 1nue n SER 120 Ca -0.17 1.03 0.12 0.00 1.01 0.00 0.00 58.87 60.87 1nue n SER 120 Cb 0.57 -1.44 0.14 0.00 -1.01 0.00 0.00 64.21 62.47 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 0.11 2.12 -3.65 6.43 5.68 -1.26 -4.79 116.55 121.18 1nue n ASP 121 Ca 0.09 -1.57 -0.08 0.00 -0.50 0.00 0.00 54.79 52.74 1nue n ASP 121 Cb 0.41 0.24 -0.02 0.00 -1.14 0.00 0.00 41.12 40.61 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 -2.29 -0.34 0.27 -1.12 1.04 -1.26 -4.94 113.70 105.06 1nue s SER 122 Ca 0.24 -0.28 -0.00 0.00 0.48 0.00 0.00 55.95 56.38 1nue s SER 122 Cb 0.19 0.57 0.39 0.00 0.10 0.00 0.00 66.02 67.27 1nue s SER 122 CO 0.46 -1.00 1.77 0.58 0.98 0.00 0.00 173.24 176.03 1nue h VAL 123 N 2.00 1.24 -0.02 5.02 2.07 -1.93 -0.47 116.25 124.15 1nue h VAL 123 Ca -0.25 -1.00 0.00 0.00 0.82 0.00 0.00 66.70 66.28 1nue h VAL 123 Cb 1.26 0.94 -0.00 0.00 -1.52 0.00 0.00 31.29 31.97 1nue h VAL 123 CO 0.29 0.34 0.01 0.50 0.02 0.00 0.00 177.57 178.74 1nue h LYS 124 N 0.67 0.03 -0.90 1.57 3.64 -1.98 0.24 116.57 119.83 1nue h LYS 124 Ca 0.13 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.49 1nue h LYS 124 Cb 0.46 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.23 1nue h LYS 124 CO 0.02 0.03 0.50 0.77 -2.27 0.00 0.00 179.45 178.50 1nue h SER 125 N 0.01 1.12 -0.20 4.20 0.02 -1.90 -2.40 113.55 114.40 1nue h SER 125 Ca 0.01 -0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 60.86 1nue h SER 125 Cb 0.01 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.26 1nue h SER 125 CO -0.00 0.89 0.11 0.00 -1.14 0.00 0.00 176.83 176.69 1nue h ALA 126 N 1.29 0.26 -0.24 3.77 0.00 -0.41 0.16 119.26 124.08 1nue h ALA 126 Ca 0.32 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 1nue h ALA 126 Cb 0.02 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1nue h ALA 126 CO -0.05 -0.21 -0.02 0.93 0.00 0.00 0.00 179.25 179.90 1nue h GLU 127 N 0.22 0.36 -0.11 0.00 4.39 -0.85 0.50 114.58 119.09 1nue h GLU 127 Ca 0.07 -0.07 -0.12 0.00 0.34 0.00 0.00 59.36 59.59 1nue h GLU 127 Cb 0.07 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 1nue h GLU 127 CO -0.01 0.41 -0.39 -0.22 -1.16 0.00 0.00 179.01 177.64 1nue h LYS 128 N 0.35 0.45 -0.46 2.33 3.64 -0.92 -2.75 116.57 119.22 1nue h LYS 128 Ca 0.08 -0.34 -0.12 0.00 -1.27 0.00 0.00 60.65 58.99 1nue h LYS 128 Cb 0.28 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 1nue h LYS 128 CO 0.01 0.97 -0.21 0.93 -2.27 0.00 0.00 179.45 178.88 1nue h GLU 129 N 0.03 0.93 -0.57 1.90 5.08 -0.37 -1.68 114.58 119.90 1nue h GLU 129 Ca -0.02 -0.38 0.01 0.00 -1.00 0.00 0.00 59.36 57.97 1nue h GLU 129 Cb 1.02 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.20 1nue h GLU 129 CO 0.08 1.04 0.37 0.82 -1.00 0.00 0.00 179.01 180.33 1nue h ILE 130 N 0.81 1.13 -0.13 3.13 2.04 -0.96 -1.26 117.51 122.28 1nue h ILE 130 Ca 0.11 -0.26 -0.07 0.00 1.00 0.00 0.00 64.86 65.64 1nue h ILE 130 Cb 0.76 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 1nue h ILE 130 CO 0.06 0.14 -0.23 0.28 0.00 0.00 0.00 178.15 178.40 1nue h SER 131 N 0.76 0.21 0.10 1.72 0.02 -1.22 0.57 113.55 115.71 1nue h SER 131 Ca 0.21 -0.06 -0.20 0.00 -0.84 0.00 0.00 61.79 60.90 1nue h SER 131 Cb -0.07 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.41 1nue h SER 131 CO -0.05 0.46 -0.76 0.25 -1.14 0.00 0.00 176.83 175.59 1nue h LEU 132 N 0.20 0.67 0.00 5.07 5.85 -0.75 -3.36 115.31 122.99 1nue h LEU 132 Ca 0.03 -0.44 -0.19 0.00 0.84 0.00 0.00 57.88 58.12 1nue h LEU 132 Cb 0.53 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 1nue h LEU 132 CO 0.04 1.21 -1.66 0.79 -0.34 0.00 0.00 178.44 178.47 1nue n TRP 133 N -3.87 0.70 -4.24 1.25 7.02 -0.53 -4.97 117.44 112.80 1nue n TRP 133 Ca -0.06 0.23 -0.20 0.00 -1.02 0.00 0.00 57.50 56.46 1nue n TRP 133 Cb 0.73 -1.01 -0.12 0.00 -2.42 0.00 0.00 31.31 28.49 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 -2.91 1.39 0.29 -5.99 0.08 0.17 -5.09 117.98 105.93 1nue s PHE 134 Ca -0.05 -0.43 -0.12 0.00 0.12 0.00 0.00 56.93 56.45 1nue s PHE 134 Cb 0.09 -0.78 -0.08 0.00 -0.57 0.00 0.00 43.02 41.68 1nue s PHE 134 CO 0.83 0.10 0.65 0.15 -0.10 0.00 0.00 175.22 176.85 1nue s LYS 135 N -1.71 3.88 0.38 0.44 1.02 -1.26 -4.53 119.74 117.97 1nue s LYS 135 Ca 0.01 0.45 0.12 0.00 0.02 0.00 0.00 55.97 56.58 1nue s LYS 135 Cb -0.10 -2.53 0.93 0.00 -0.52 0.00 0.00 37.83 35.62 1nue s LYS 135 CO 0.03 0.21 1.87 -1.35 -0.92 0.00 0.00 175.35 175.19 1nue h PRO 136 N 2.25 0.55 0.00 -1.68 0.11 -1.96 0.27 132.00 131.54 1nue h PRO 136 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1nue h PRO 136 Cb 1.17 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1nue h PRO 136 CO 0.67 0.36 0.00 -0.85 -0.21 0.00 0.00 178.00 177.97 1nue n GLU 137 N -4.54 0.24 0.05 1.05 0.00 -1.26 -2.47 120.64 113.71 1nue n GLU 137 Ca 0.17 0.11 0.12 0.00 0.00 0.00 0.00 57.16 57.56 1nue n GLU 137 Cb 0.54 -1.50 0.27 0.00 0.00 0.00 0.00 31.44 30.75 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 -1.31 0.19 -3.16 3.44 1.02 0.95 -4.79 120.64 116.96 1nue n GLU 138 Ca 0.09 0.07 -0.39 0.00 -0.02 0.00 0.00 57.16 56.91 1nue n GLU 138 Cb 0.17 -1.64 -0.05 0.00 -0.02 0.00 0.00 31.44 29.89 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 -3.84 4.25 -0.16 -4.62 1.43 -1.03 -4.61 118.68 110.10 1nue s LEU 139 Ca 0.09 0.95 -0.07 0.00 -1.03 0.00 0.00 54.13 54.07 1nue s LEU 139 Cb 0.15 -2.88 -0.04 0.00 0.03 0.00 0.00 46.19 43.44 1nue s LEU 139 CO 0.68 -0.12 0.08 -0.69 0.23 0.00 0.00 176.35 176.53 1nue s VAL 140 N 1.06 4.94 -0.16 -1.59 1.01 0.11 -5.03 120.40 120.74 1nue s VAL 140 Ca 0.31 0.01 -0.03 0.00 0.00 0.00 0.00 61.98 62.27 1nue s VAL 140 Cb -0.16 -3.20 -0.02 0.00 0.00 0.00 0.00 36.38 33.00 1nue s VAL 140 CO 0.13 0.50 -0.07 -1.81 0.00 0.00 0.00 175.10 173.86 1nue s ASP 141 N -0.04 4.44 0.20 3.32 1.01 -1.26 -4.74 116.67 119.60 1nue s ASP 141 Ca 0.07 -0.25 -0.23 0.00 0.71 0.00 0.00 52.55 52.85 1nue s ASP 141 Cb -0.12 -1.72 0.05 0.00 1.01 0.00 0.00 42.92 42.14 1nue s ASP 141 CO 0.01 0.12 0.71 -0.72 0.21 0.00 0.00 175.17 175.50 1nue s TYR 142 N 0.63 -0.33 -0.10 4.23 1.13 -1.26 -5.16 117.35 116.49 1nue s TYR 142 Ca -0.04 0.01 0.01 0.00 -1.41 0.00 0.00 57.07 55.64 1nue s TYR 142 Cb -0.15 0.63 -0.02 0.00 -1.10 0.00 0.00 41.96 41.32 1nue s TYR 142 CO 0.03 -0.99 -0.11 0.21 -2.51 0.00 0.00 175.55 172.17 1nue s LYS 143 N -3.72 3.03 0.28 -3.49 2.20 -1.26 -5.09 119.74 111.68 1nue s LYS 143 Ca 0.07 -0.65 -0.29 0.00 -0.36 0.00 0.00 55.97 54.74 1nue s LYS 143 Cb -0.03 -2.57 -0.10 0.00 -1.51 0.00 0.00 37.83 33.62 1nue s LYS 143 CO -0.03 0.42 1.22 -1.12 -0.36 0.00 0.00 175.35 175.49 1nue s SER 144 N -0.19 7.00 0.56 1.43 0.01 -1.26 -4.92 113.70 116.33 1nue s SER 144 Ca 0.01 2.45 0.33 0.00 1.31 0.00 0.00 55.95 60.05 1nue s SER 144 Cb -0.13 -2.63 1.60 0.00 0.21 0.00 0.00 66.02 65.06 1nue s SER 144 CO 0.03 -0.38 2.09 0.00 0.41 0.00 0.00 173.24 175.39 1nue n ALA 146 N -2.16 2.44 -0.24 0.00 0.00 -1.26 -4.58 120.51 114.71 1nue n ALA 146 Ca -0.01 -0.90 0.01 0.00 0.00 0.00 0.00 53.44 52.53 1nue n ALA 146 Cb 0.24 -0.94 0.08 0.00 0.00 0.00 0.00 19.45 18.83 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 3.70 -0.37 0.00 0.00 6.17 -1.79 0.52 115.15 123.39 1nue h HIS 147 Ca 0.00 0.06 0.00 0.00 0.71 0.00 0.00 60.37 61.14 1nue h HIS 147 Cb 0.82 0.27 0.00 0.00 2.52 0.00 0.00 27.41 31.03 1nue h HIS 147 CO 0.26 -0.30 0.00 -0.25 0.71 0.00 0.00 177.93 178.35 1nue n ASP 148 N -5.47 0.19 0.01 3.26 8.00 -1.26 -1.11 116.55 120.16 1nue n ASP 148 Ca 0.09 0.54 0.11 0.00 0.71 0.00 0.00 54.79 56.25 1nue n ASP 148 Cb 0.37 -0.59 0.01 0.00 -0.02 0.00 0.00 41.12 40.89 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 -1.71 0.07 -0.09 1.24 7.02 0.17 -4.26 117.44 119.89 1nue n TRP 149 Ca 0.03 0.02 -0.09 0.00 -1.02 0.00 0.00 57.50 56.45 1nue n TRP 149 Cb 0.20 -0.21 -0.14 0.00 -2.42 0.00 0.00 31.31 28.74 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 -1.67 1.24 -4.45 -0.99 0.31 -0.67 -4.99 118.33 107.11 1nue n VAL 150 Ca 0.03 -0.77 -0.24 0.00 -0.01 0.00 0.00 64.34 63.36 1nue n VAL 150 Cb 0.37 -0.51 -0.13 0.00 -0.91 0.00 0.00 33.84 32.66 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 -2.44 1.71 -2.00 3.52 2.02 -0.27 -5.11 117.35 114.78 1nue s TYR 151 Ca -0.09 -0.39 0.17 0.00 -0.37 0.00 0.00 57.07 56.39 1nue s TYR 151 Cb 0.05 -0.99 1.03 0.00 -0.40 0.00 0.00 41.96 41.65 1nue s TYR 151 CO 0.74 0.13 1.43 0.39 -1.57 0.00 0.00 175.55 176.67