#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nsp n ASN 7 N 0.00 1.46 -0.62 6.55 5.03 -1.26 -3.03 115.26 123.39 1nsp n ASN 7 Ca 0.00 -2.04 0.06 0.00 0.87 0.00 0.00 54.58 53.47 1nsp n ASN 7 Cb 0.00 -0.21 0.14 0.00 -1.02 0.00 0.00 39.78 38.69 1nsp n ASN 7 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1nsp n LYS 8 N 0.21 2.64 -2.01 3.52 4.76 -1.26 -3.94 118.16 122.08 1nsp n LYS 8 Ca 0.08 -1.96 -0.39 0.00 -2.87 0.00 0.00 58.31 53.17 1nsp n LYS 8 Cb 0.25 -1.26 0.00 0.00 -1.84 0.00 0.00 35.03 32.18 1nsp n LYS 8 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1nsp s GLU 9 N -0.99 3.82 0.07 1.97 2.12 -1.17 -4.78 118.70 119.74 1nsp s GLU 9 Ca 0.22 2.16 0.05 0.00 0.36 0.00 0.00 54.97 57.77 1nsp s GLU 9 Cb 0.12 -2.66 -0.03 0.00 0.26 0.00 0.00 34.13 31.82 1nsp s GLU 9 CO 0.16 -0.62 -0.15 1.03 -0.54 0.00 0.00 175.26 175.14 1nsp s ARG 10 N -2.38 0.85 0.09 4.30 0.52 -1.26 -0.87 118.95 120.20 1nsp s ARG 10 Ca 0.60 -0.96 0.04 0.00 -0.52 0.00 0.00 55.73 54.88 1nsp s ARG 10 Cb -0.38 -0.88 -0.03 0.00 0.52 0.00 0.00 34.95 34.17 1nsp s ARG 10 CO 0.48 0.20 -0.10 -0.08 0.02 0.00 0.00 175.30 175.82 1nsp s THR 11 N -1.23 0.91 -0.20 0.02 -1.32 -0.57 -4.71 115.64 108.54 1nsp s THR 11 Ca -0.01 -1.55 -0.08 0.00 -1.21 0.00 0.00 61.69 58.84 1nsp s THR 11 Cb -0.10 -1.25 -0.04 0.00 -1.51 0.00 0.00 72.50 69.59 1nsp s THR 11 CO 0.02 -0.51 0.09 0.12 -2.21 0.00 0.00 174.62 172.14 1nsp s PHE 12 N -2.22 3.28 0.03 9.09 5.36 -1.26 -1.60 117.98 130.66 1nsp s PHE 12 Ca 0.03 0.10 0.07 0.00 -0.96 0.00 0.00 56.93 56.18 1nsp s PHE 12 Cb -0.04 -2.14 -0.02 0.00 -0.34 0.00 0.00 43.02 40.48 1nsp s PHE 12 CO 0.00 0.12 -0.21 -0.51 -1.46 0.00 0.00 175.22 173.16 1nsp s LEU 13 N 0.58 2.14 -0.05 6.12 1.43 0.03 -2.12 118.68 126.81 1nsp s LEU 13 Ca 0.05 -0.50 -0.00 0.00 -1.03 0.00 0.00 54.13 52.65 1nsp s LEU 13 Cb -0.13 -1.01 0.02 0.00 0.03 0.00 0.00 46.19 45.11 1nsp s LEU 13 CO 0.01 0.18 -0.02 0.00 0.23 0.00 0.00 176.35 176.75 1nsp s ALA 14 N -0.74 0.65 -0.47 4.21 0.00 -1.26 -0.71 121.76 123.43 1nsp s ALA 14 Ca 0.08 -0.06 -0.26 0.00 0.00 0.00 0.00 51.96 51.72 1nsp s ALA 14 Cb -0.09 -0.54 0.03 0.00 0.00 0.00 0.00 23.12 22.52 1nsp s ALA 14 CO 0.01 -0.21 0.96 0.08 0.00 0.00 0.00 175.76 176.61 1nsp s VAL 15 N 1.36 4.42 1.07 0.00 1.01 0.50 -4.36 120.40 124.40 1nsp s VAL 15 Ca -0.04 0.78 -0.13 0.00 0.00 0.00 0.00 61.98 62.59 1nsp s VAL 15 Cb -0.13 -4.47 0.23 0.00 0.00 0.00 0.00 36.38 32.00 1nsp s VAL 15 CO -0.02 -0.89 1.07 -0.54 0.00 0.00 0.00 175.10 174.71 1nsp s LYS 16 N 3.89 -0.15 0.38 2.72 1.02 0.29 -2.06 119.74 125.82 1nsp s LYS 16 Ca 0.38 0.56 0.13 0.00 0.02 0.00 0.00 55.97 57.07 1nsp s LYS 16 Cb -0.10 -1.67 0.95 0.00 -0.52 0.00 0.00 37.83 36.50 1nsp s LYS 16 CO 0.27 -3.14 1.83 -1.35 -0.92 0.00 0.00 175.35 172.04 1nsp h PRO 17 N -2.19 0.53 -0.56 -1.68 0.11 -1.86 -1.45 132.00 124.90 1nsp h PRO 17 Ca -0.57 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.41 1nsp h PRO 17 Cb 1.34 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 1nsp h PRO 17 CO 0.55 0.35 -0.03 0.38 -0.21 0.00 0.00 178.00 179.04 1nsp h ASP 18 N 0.54 0.97 -0.51 -2.05 2.03 -1.89 -0.40 116.42 115.11 1nsp h ASP 18 Ca 0.50 -0.28 -0.13 0.00 -0.73 0.00 0.00 57.03 56.40 1nsp h ASP 18 Cb 1.06 -0.26 -0.01 0.00 -0.83 0.00 0.00 39.33 39.28 1nsp h ASP 18 CO -0.24 1.05 -0.17 1.23 -1.03 0.00 0.00 179.24 180.07 1nsp h GLY 19 N 0.98 1.10 0.74 7.15 0.00 -1.46 0.90 103.07 112.48 1nsp h GLY 19 Ca 0.16 -0.94 -0.03 0.00 0.00 0.00 0.00 47.33 46.52 1nsp h GLY 19 CO 0.03 0.86 -0.04 -2.08 0.00 0.00 0.00 176.54 175.31 1nsp h VAL 20 N 0.88 1.30 -0.16 4.60 2.07 -1.30 -1.71 116.25 121.94 1nsp h VAL 20 Ca 0.12 -1.01 -0.04 0.00 0.82 0.00 0.00 66.70 66.60 1nsp h VAL 20 Cb 0.75 1.70 -0.01 0.00 -1.52 0.00 0.00 31.29 32.21 1nsp h VAL 20 CO 0.06 0.29 -0.06 0.00 0.02 0.00 0.00 177.57 177.88 1nsp h ALA 21 N 0.69 1.61 -0.13 1.67 0.00 -0.95 -2.12 119.26 120.02 1nsp h ALA 21 Ca 0.03 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1nsp h ALA 21 Cb 0.47 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1nsp h ALA 21 CO 0.01 0.29 0.00 0.54 0.00 0.00 0.00 179.25 180.09 1nsp n ARG 22 N -4.34 1.39 -3.22 0.00 1.74 0.30 -4.93 116.66 107.60 1nsp n ARG 22 Ca -0.01 -0.59 -0.16 0.00 -0.77 0.00 0.00 57.85 56.32 1nsp n ARG 22 Cb 0.22 -1.24 0.06 0.00 -1.02 0.00 0.00 32.46 30.48 1nsp n ARG 22 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1nsp n GLY 23 N 0.87 -0.15 0.59 -0.13 0.00 -0.80 -4.96 105.19 100.61 1nsp n GLY 23 Ca 0.10 -0.01 0.06 0.00 0.00 0.00 0.00 46.02 46.17 1nsp n GLY 23 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1nsp n LEU 24 N -3.64 2.57 0.18 0.99 4.77 -0.65 -4.70 117.00 116.52 1nsp n LEU 24 Ca -0.06 -1.60 -0.15 0.00 -0.03 0.00 0.00 56.01 54.17 1nsp n LEU 24 Cb 0.57 -0.15 -0.08 0.00 -2.33 0.00 0.00 43.42 41.44 1nsp n LEU 24 CO 0.47 0.59 0.77 0.58 -1.33 0.00 0.00 177.39 178.47 1nsp h VAL 25 N 2.19 0.71 -0.56 4.08 2.07 -1.89 -1.63 116.25 121.22 1nsp h VAL 25 Ca 0.00 -0.01 -0.08 0.00 0.82 0.00 0.00 66.70 67.43 1nsp h VAL 25 Cb 0.64 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 1nsp h VAL 25 CO 0.00 0.00 0.04 1.23 0.02 0.00 0.00 177.57 178.86 1nsp h GLY 26 N -0.40 1.04 0.95 2.17 0.00 -1.97 -1.66 103.07 103.20 1nsp h GLY 26 Ca -0.04 -0.74 0.02 0.00 0.00 0.00 0.00 47.33 46.57 1nsp h GLY 26 CO 0.07 0.68 0.44 -2.09 0.00 0.00 0.00 176.54 175.64 1nsp h GLU 27 N 0.85 0.85 -0.14 4.80 4.57 -1.84 -1.16 114.58 122.51 1nsp h GLU 27 Ca 0.16 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.26 1nsp h GLU 27 Cb 0.49 -0.19 -0.00 0.00 -0.16 0.00 0.00 28.75 28.89 1nsp h GLU 27 CO 0.02 0.57 -0.03 0.82 -1.18 0.00 0.00 179.01 179.21 1nsp h ILE 28 N 0.88 1.28 -0.72 2.32 2.04 -1.04 -2.76 117.51 119.51 1nsp h ILE 28 Ca 0.26 -0.95 0.01 0.00 1.00 0.00 0.00 64.86 65.19 1nsp h ILE 28 Cb -0.05 1.62 -0.04 0.00 -0.74 0.00 0.00 36.82 37.61 1nsp h ILE 28 CO -0.08 0.28 0.47 0.40 0.00 0.00 0.00 178.15 179.22 1nsp h ILE 29 N -0.03 1.16 -0.82 -0.67 2.04 -1.24 -2.65 117.51 115.30 1nsp h ILE 29 Ca 0.04 -0.32 0.03 0.00 1.00 0.00 0.00 64.86 65.61 1nsp h ILE 29 Cb 0.44 0.13 -0.05 0.00 -0.74 0.00 0.00 36.82 36.60 1nsp h ILE 29 CO 0.01 0.17 0.54 0.00 0.00 0.00 0.00 178.15 178.87 1nsp h ALA 30 N 1.27 1.50 -0.92 1.87 0.00 -1.13 -0.66 119.26 121.19 1nsp h ALA 30 Ca 0.27 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1nsp h ALA 30 Cb -0.08 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.38 1nsp h ALA 30 CO -0.07 0.42 0.54 0.00 0.00 0.00 0.00 179.25 180.15 1nsp h ARG 31 N 1.02 1.25 0.02 0.00 3.08 -1.18 -0.75 114.38 117.82 1nsp h ARG 31 Ca 0.32 -0.12 -0.23 0.00 0.07 0.00 0.00 59.98 60.02 1nsp h ARG 31 Cb 0.03 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 29.82 1nsp h ARG 31 CO -0.09 0.88 -0.98 1.88 -1.07 0.00 0.00 179.97 180.59 1nsp h TYR 32 N 1.27 0.58 -0.49 3.04 0.05 -1.30 -2.73 116.97 117.39 1nsp h TYR 32 Ca 0.33 -0.33 -0.13 0.00 0.05 0.00 0.00 58.73 58.65 1nsp h TYR 32 Cb -0.04 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 37.63 1nsp h TYR 32 CO 0.01 1.16 -0.19 0.93 -1.05 0.00 0.00 178.16 179.02 1nsp h GLU 33 N 0.20 0.97 -0.43 4.88 5.08 -0.95 -2.77 114.58 121.57 1nsp h GLU 33 Ca -0.09 -0.40 -0.05 0.00 -1.00 0.00 0.00 59.36 57.82 1nsp h GLU 33 Cb 1.63 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.81 1nsp h GLU 33 CO 0.17 1.07 0.04 0.87 -1.00 0.00 0.00 179.01 180.15 1nsp h LYS 34 N 0.85 0.67 0.00 2.33 1.57 -1.14 -2.25 116.57 118.59 1nsp h LYS 34 Ca 0.12 -0.15 -0.05 0.00 -1.87 0.00 0.00 60.65 58.70 1nsp h LYS 34 Cb 0.76 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.97 1nsp h LYS 34 CO 0.06 0.66 -0.22 -0.22 -0.57 0.00 0.00 179.45 179.16 1nsp h LYS 35 N 0.64 0.00 0.00 3.15 1.63 -1.34 -3.47 116.57 117.17 1nsp h LYS 35 Ca 0.14 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.94 1nsp h LYS 35 Cb 0.34 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.97 1nsp h LYS 35 CO 0.01 0.22 0.00 0.41 -3.45 0.00 0.00 179.45 176.64 1nsp n GLY 36 N -0.77 0.93 3.78 5.01 0.00 -0.85 -5.10 105.19 108.18 1nsp n GLY 36 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 1nsp n GLY 36 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1nsp s PHE 37 N -2.00 2.77 -0.19 1.61 0.08 -1.06 -4.81 117.98 114.38 1nsp s PHE 37 Ca 0.00 1.55 -0.07 0.00 0.12 0.00 0.00 56.93 58.54 1nsp s PHE 37 Cb 0.00 -3.22 -0.04 0.00 -0.57 0.00 0.00 43.02 39.20 1nsp s PHE 37 CO 0.00 -1.36 0.04 0.08 -0.10 0.00 0.00 175.22 173.89 1nsp s VAL 38 N -1.86 4.50 -0.20 -0.44 1.01 0.03 -4.48 120.40 118.95 1nsp s VAL 38 Ca 0.71 -0.13 -0.29 0.00 0.00 0.00 0.00 61.98 62.26 1nsp s VAL 38 Cb -0.21 -3.03 -0.02 0.00 0.00 0.00 0.00 36.38 33.11 1nsp s VAL 38 CO 0.25 0.45 1.50 -0.22 0.00 0.00 0.00 175.10 177.08 1nsp s LEU 39 N 0.59 4.00 -0.05 3.92 2.96 -1.26 -0.67 118.68 128.18 1nsp s LEU 39 Ca 0.02 1.64 0.15 0.00 -0.22 0.00 0.00 54.13 55.72 1nsp s LEU 39 Cb -0.13 -3.53 -0.23 0.00 0.50 0.00 0.00 46.19 42.79 1nsp s LEU 39 CO 0.02 -1.09 0.28 0.52 -1.32 0.00 0.00 176.35 174.76 1nsp n VAL 40 N 6.06 0.19 -3.66 1.68 0.31 0.12 -4.93 118.33 118.11 1nsp n VAL 40 Ca 0.17 -0.40 -0.15 0.00 -0.01 0.00 0.00 64.34 63.94 1nsp n VAL 40 Cb 0.45 -0.01 -0.08 0.00 -0.91 0.00 0.00 33.84 33.30 1nsp n VAL 40 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1nsp s GLY 41 N -3.98 -0.36 -0.29 2.92 0.00 -1.11 -0.92 107.32 103.58 1nsp s GLY 41 Ca -0.06 0.97 -0.17 0.00 0.00 0.00 0.00 44.72 45.46 1nsp s GLY 41 CO 0.63 0.70 0.91 -2.27 0.00 0.00 0.00 173.10 173.08 1nsp s LEU 42 N -0.88 -0.60 -0.21 0.66 2.96 -1.26 -2.16 118.68 117.19 1nsp s LEU 42 Ca -0.09 0.98 -0.29 0.00 -0.22 0.00 0.00 54.13 54.52 1nsp s LEU 42 Cb -0.03 1.91 0.14 0.00 0.50 0.00 0.00 46.19 48.71 1nsp s LEU 42 CO 0.05 -0.16 1.06 -1.59 -1.32 0.00 0.00 176.35 174.40 1nsp s LYS 43 N 1.28 0.50 -0.02 1.98 -2.85 -0.91 -5.03 119.74 114.68 1nsp s LYS 43 Ca -0.08 0.23 -0.11 0.00 -1.00 0.00 0.00 55.97 55.01 1nsp s LYS 43 Cb -0.04 0.24 -0.05 0.00 -2.06 0.00 0.00 37.83 35.91 1nsp s LYS 43 CO -0.15 -0.13 0.32 -1.14 0.10 0.00 0.00 175.35 174.35 1nsp s GLN 44 N -0.74 3.73 0.21 1.78 0.74 -1.26 -1.43 119.66 122.70 1nsp s GLN 44 Ca 0.01 0.19 -0.21 0.00 0.05 0.00 0.00 55.36 55.39 1nsp s GLN 44 Cb -0.02 -3.17 0.05 0.00 1.10 0.00 0.00 33.01 30.96 1nsp s GLN 44 CO -0.02 0.70 0.63 -0.48 -0.55 0.00 0.00 175.29 175.57 1nsp s LEU 45 N -1.22 -0.36 -0.33 3.68 2.34 -0.08 -4.96 118.68 117.74 1nsp s LEU 45 Ca 0.23 -0.30 -0.04 0.00 0.06 0.00 0.00 54.13 54.07 1nsp s LEU 45 Cb -0.15 2.58 0.05 0.00 -0.56 0.00 0.00 46.19 48.12 1nsp s LEU 45 CO 0.12 -1.13 0.08 -0.69 -1.06 0.00 0.00 176.35 173.67 1nsp s VAL 46 N -3.83 3.46 0.40 1.48 1.01 -1.26 0.84 120.40 122.50 1nsp s VAL 46 Ca 0.06 -1.32 -0.27 0.00 0.00 0.00 0.00 61.98 60.45 1nsp s VAL 46 Cb -0.03 -3.01 -0.10 0.00 0.00 0.00 0.00 36.38 33.24 1nsp s VAL 46 CO -0.04 -0.21 1.46 -2.84 0.00 0.00 0.00 175.10 173.47 1nsp s PRO 47 N 1.32 3.97 0.65 2.72 0.02 -1.26 -5.02 135.00 137.40 1nsp s PRO 47 Ca -0.02 2.50 -0.08 0.00 0.02 0.00 0.00 61.00 63.42 1nsp s PRO 47 Cb -0.20 -2.86 0.02 0.00 0.02 0.00 0.00 34.50 31.48 1nsp s PRO 47 CO 0.01 -0.62 0.98 0.95 -0.33 0.00 0.00 177.00 177.99 1nsp s THR 48 N -1.15 3.35 0.23 0.99 -4.23 -1.26 -4.58 115.64 108.99 1nsp s THR 48 Ca 0.56 0.10 -0.07 0.00 -1.18 0.00 0.00 61.69 61.10 1nsp s THR 48 Cb -0.45 -3.38 0.21 0.00 1.34 0.00 0.00 72.50 70.22 1nsp s THR 48 CO 0.60 -0.43 1.88 0.50 -0.54 0.00 0.00 174.62 176.63 1nsp h LYS 49 N -0.40 1.04 -0.62 3.99 3.64 -1.95 -1.78 116.57 120.48 1nsp h LYS 49 Ca -0.45 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 58.84 1nsp h LYS 49 Cb 1.27 -0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 32.82 1nsp h LYS 49 CO 0.62 0.69 0.28 -0.44 -2.27 0.00 0.00 179.45 178.32 1nsp h ASP 50 N 1.07 0.84 -0.49 4.20 3.32 -1.99 0.14 116.42 123.51 1nsp h ASP 50 Ca 0.35 -0.15 -0.12 0.00 0.02 0.00 0.00 57.03 57.12 1nsp h ASP 50 Cb 0.03 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.35 1nsp h ASP 50 CO -0.12 0.76 -0.17 0.25 -1.72 0.00 0.00 179.24 178.23 1nsp h LEU 51 N 0.86 1.01 0.32 1.55 5.85 -1.89 -1.91 115.31 121.10 1nsp h LEU 51 Ca 0.21 -0.36 -0.02 0.00 0.84 0.00 0.00 57.88 58.55 1nsp h LEU 51 Cb 0.16 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 40.92 1nsp h LEU 51 CO -0.02 1.15 -0.16 0.00 -0.34 0.00 0.00 178.44 179.07 1nsp h ALA 52 N 0.92 -0.44 -0.27 1.25 0.00 -0.92 0.71 119.26 120.51 1nsp h ALA 52 Ca 0.12 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1nsp h ALA 52 Cb 0.74 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1nsp h ALA 52 CO 0.06 -0.75 0.18 0.93 0.00 0.00 0.00 179.25 179.67 1nsp h GLU 53 N -0.44 0.33 -0.12 0.00 5.08 -0.66 -1.12 114.58 117.65 1nsp h GLU 53 Ca -0.04 -0.02 -0.16 0.00 -1.00 0.00 0.00 59.36 58.13 1nsp h GLU 53 Cb 0.34 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.52 1nsp h GLU 53 CO 0.07 0.22 -0.56 1.03 -1.00 0.00 0.00 179.01 178.77 1nsp h SER 54 N 0.34 0.71 -0.94 1.42 0.87 -1.04 0.13 113.55 115.04 1nsp h SER 54 Ca 0.10 -0.63 0.02 0.00 -1.23 0.00 0.00 61.79 60.05 1nsp h SER 54 Cb -0.00 -0.21 -0.05 0.00 -0.44 0.00 0.00 62.40 61.70 1nsp h SER 54 CO -0.02 1.22 0.62 -0.74 -0.53 0.00 0.00 176.83 177.38 1nsp h HIS 55 N 0.24 1.17 -0.55 2.24 -0.00 0.09 -2.46 115.15 115.88 1nsp h HIS 55 Ca -0.04 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.36 1nsp h HIS 55 Cb 1.20 -0.39 0.00 0.00 -0.00 0.00 0.00 27.41 28.22 1nsp h HIS 55 CO 0.11 0.71 0.00 0.66 -0.00 0.00 0.00 177.93 179.40 1nsp n TYR 56 N -4.46 1.36 -0.35 5.26 4.01 -0.51 -4.62 117.16 117.85 1nsp n TYR 56 Ca 0.12 -0.65 0.24 0.00 -0.16 0.00 0.00 57.90 57.44 1nsp n TYR 56 Cb 0.05 -0.26 0.49 0.00 -0.31 0.00 0.00 39.34 39.31 1nsp n TYR 56 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1nsp h ALA 57 N 3.49 2.10 -0.08 -0.72 0.00 -0.46 0.60 119.26 124.20 1nsp h ALA 57 Ca 0.00 0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.07 1nsp h ALA 57 Cb 1.44 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.33 1nsp h ALA 57 CO 0.24 -0.65 0.27 1.05 0.00 0.00 0.00 179.25 180.16 1nsp h GLU 58 N 0.36 0.00 -0.27 0.00 4.11 -1.82 0.74 114.58 117.70 1nsp h GLU 58 Ca 0.70 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.13 1nsp h GLU 58 Cb 1.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.93 1nsp h GLU 58 CO -0.48 0.00 0.00 0.72 0.07 0.00 0.00 179.01 179.32 1nsp n HIS 59 N -3.16 0.34 0.15 2.06 8.25 0.21 -4.68 115.22 118.39 1nsp n HIS 59 Ca -0.00 -0.28 0.08 0.00 -0.26 0.00 0.00 57.72 57.25 1nsp n HIS 59 Cb 0.35 -0.01 0.41 0.00 1.12 0.00 0.00 29.99 31.86 1nsp n HIS 59 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1nsp n LYS 60 N 0.84 0.10 0.02 -0.41 2.85 0.25 -0.29 118.16 121.53 1nsp n LYS 60 Ca 0.12 0.58 0.11 0.00 -1.05 0.00 0.00 58.31 58.07 1nsp n LYS 60 Cb 0.43 -2.02 -0.04 0.00 -0.65 0.00 0.00 35.03 32.75 1nsp n LYS 60 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1nsp n GLU 61 N -2.08 0.35 -1.82 -1.58 4.71 -1.26 -4.96 120.64 113.99 1nsp n GLU 61 Ca -0.01 -0.04 -0.31 0.00 -0.01 0.00 0.00 57.16 56.80 1nsp n GLU 61 Cb 0.22 -1.58 0.03 0.00 -1.01 0.00 0.00 31.44 29.10 1nsp n GLU 61 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 1nsp s ARG 62 N -3.25 3.22 0.05 3.49 1.81 0.60 -5.01 118.95 119.86 1nsp s ARG 62 Ca 0.02 0.69 -0.18 0.00 -1.72 0.00 0.00 55.73 54.53 1nsp s ARG 62 Cb 0.14 -2.04 -0.15 0.00 -0.45 0.00 0.00 34.95 32.45 1nsp s ARG 62 CO 0.83 -0.83 1.31 -1.00 -0.68 0.00 0.00 175.30 174.93 1nsp h PRO 63 N -0.51 0.50 0.00 3.54 0.13 -1.93 -3.24 132.00 130.49 1nsp h PRO 63 Ca -0.44 -0.32 0.00 0.00 -0.87 0.00 0.00 66.00 64.37 1nsp h PRO 63 Cb 1.21 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1nsp h PRO 63 CO 0.62 0.93 0.00 1.97 -0.23 0.00 0.00 178.00 181.28 1nsp n PHE 64 N -4.36 0.00 -0.36 1.56 -1.74 -1.26 -3.28 117.46 108.02 1nsp n PHE 64 Ca -0.06 0.00 0.08 0.00 -0.56 0.00 0.00 57.45 56.90 1nsp n PHE 64 Cb 0.48 -0.49 0.25 0.00 1.52 0.00 0.00 39.48 41.24 1nsp n PHE 64 CO 0.00 0.00 0.00 0.35 -0.56 0.00 0.00 176.76 176.55 1nsp h PHE 65 N 0.00 1.12 -0.39 2.97 3.57 -1.78 -0.69 116.94 121.74 1nsp h PHE 65 Ca 0.00 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.47 1nsp h PHE 65 Cb 0.14 -0.36 -0.02 0.00 2.79 0.00 0.00 35.95 38.51 1nsp h PHE 65 CO 0.00 0.44 -0.02 0.78 -2.23 0.00 0.00 178.31 177.28 1nsp h GLY 66 N 0.97 0.68 1.57 2.40 0.00 -1.81 -2.25 103.07 104.62 1nsp h GLY 66 Ca 0.50 -0.43 -0.11 0.00 0.00 0.00 0.00 47.33 47.29 1nsp h GLY 66 CO -0.26 0.40 -0.31 -1.33 0.00 0.00 0.00 176.54 175.04 1nsp h GLY 67 N 0.91 0.53 0.79 4.60 0.00 -1.39 -1.66 103.07 106.85 1nsp h GLY 67 Ca 0.12 -0.47 -0.05 0.00 0.00 0.00 0.00 47.33 46.93 1nsp h GLY 67 CO 0.02 0.43 -0.07 1.41 0.00 0.00 0.00 176.54 178.32 1nsp h LEU 68 N 0.42 0.39 -0.46 3.11 3.38 -1.02 -2.29 115.31 118.83 1nsp h LEU 68 Ca 0.05 -0.39 -0.03 0.00 0.09 0.00 0.00 57.88 57.60 1nsp h LEU 68 Cb 0.75 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 1nsp h LEU 68 CO 0.06 0.69 0.17 0.58 0.09 0.00 0.00 178.44 180.03 1nsp h VAL 69 N 0.08 1.21 -0.22 1.22 2.07 -1.34 -2.48 116.25 116.80 1nsp h VAL 69 Ca 0.04 -0.68 0.00 0.00 0.82 0.00 0.00 66.70 66.89 1nsp h VAL 69 Cb 0.54 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 1nsp h VAL 69 CO 0.02 0.25 0.14 0.28 0.02 0.00 0.00 177.57 178.29 1nsp h SER 70 N 0.60 0.26 -0.22 0.57 0.02 -1.28 -2.89 113.55 110.60 1nsp h SER 70 Ca 0.15 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.06 1nsp h SER 70 Cb 0.22 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 1nsp h SER 70 CO -0.01 0.20 0.06 0.15 -1.14 0.00 0.00 176.83 176.09 1nsp h PHE 71 N 0.29 0.37 0.00 3.45 3.57 -1.35 -2.08 116.94 121.19 1nsp h PHE 71 Ca 0.08 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1nsp h PHE 71 Cb -0.02 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 38.62 1nsp h PHE 71 CO -0.06 0.44 0.00 0.97 -2.23 0.00 0.00 178.31 177.43 1nsp h ILE 72 N 0.19 0.00 -0.15 1.41 2.10 -1.46 0.49 117.51 120.09 1nsp h ILE 72 Ca 0.07 -0.31 0.00 0.00 1.08 0.00 0.00 64.86 65.70 1nsp h ILE 72 Cb 0.25 1.27 0.00 0.00 -1.09 0.00 0.00 36.82 37.25 1nsp h ILE 72 CO -0.00 0.00 0.00 0.35 -1.08 0.00 0.00 178.15 177.42 1nsp n THR 73 N -3.01 0.17 0.69 2.19 -2.24 -1.09 -4.30 114.28 106.68 1nsp n THR 73 Ca -0.01 -0.58 0.10 0.00 -2.27 0.00 0.00 64.05 61.29 1nsp n THR 73 Cb 0.21 1.33 0.44 0.00 -2.10 0.00 0.00 70.33 70.22 1nsp n THR 73 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1nsp n SER 74 N 1.41 0.07 -3.28 3.42 3.41 0.16 -4.81 113.62 113.99 1nsp n SER 74 Ca 0.16 0.51 0.01 0.00 -0.26 0.00 0.00 58.87 59.29 1nsp n SER 74 Cb 0.60 -0.53 0.01 0.00 -0.26 0.00 0.00 64.21 64.04 1nsp n SER 74 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1nsp n GLY 75 N 0.61 0.39 3.73 5.00 0.00 -1.26 -5.11 105.19 108.56 1nsp n GLY 75 Ca 0.05 -1.04 -0.35 0.00 0.00 0.00 0.00 46.02 44.68 1nsp n GLY 75 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1nsp s PRO 76 N -2.02 2.35 0.01 1.61 0.04 -1.26 -4.45 135.00 131.28 1nsp s PRO 76 Ca 0.24 1.84 0.02 0.00 0.04 0.00 0.00 61.00 63.14 1nsp s PRO 76 Cb -0.01 -1.85 -0.01 0.00 0.04 0.00 0.00 34.50 32.67 1nsp s PRO 76 CO 0.01 -1.69 -0.06 0.08 0.04 0.00 0.00 177.00 175.37 1nsp s VAL 77 N -1.79 0.48 -0.36 -0.36 1.01 0.25 -3.87 120.40 115.75 1nsp s VAL 77 Ca 0.77 -0.50 -0.08 0.00 0.00 0.00 0.00 61.98 62.17 1nsp s VAL 77 Cb -0.31 -0.45 0.04 0.00 0.00 0.00 0.00 36.38 35.66 1nsp s VAL 77 CO 0.42 -0.03 0.16 -0.69 0.00 0.00 0.00 175.10 174.96 1nsp s VAL 78 N -0.51 4.10 -0.05 2.92 1.01 -0.88 -0.90 120.40 126.09 1nsp s VAL 78 Ca -0.01 -1.08 -0.14 0.00 0.00 0.00 0.00 61.98 60.75 1nsp s VAL 78 Cb -0.05 -3.34 -0.05 0.00 0.00 0.00 0.00 36.38 32.94 1nsp s VAL 78 CO 0.00 -0.24 0.36 0.00 0.00 0.00 0.00 175.10 175.22 1nsp s ALA 79 N 1.45 3.69 0.06 5.51 0.00 -0.51 -0.37 121.76 131.59 1nsp s ALA 79 Ca 0.00 -0.31 -0.09 0.00 0.00 0.00 0.00 51.96 51.56 1nsp s ALA 79 Cb -0.20 -2.35 0.00 0.00 0.00 0.00 0.00 23.12 20.57 1nsp s ALA 79 CO 0.04 0.39 0.20 0.00 0.00 0.00 0.00 175.76 176.39 1nsp s MET 80 N -0.67 0.76 -0.10 0.00 0.23 0.11 -2.13 119.30 117.50 1nsp s MET 80 Ca 0.22 -0.76 0.02 0.00 -1.03 0.00 0.00 55.69 54.13 1nsp s MET 80 Cb -0.15 0.31 0.01 0.00 -1.53 0.00 0.00 34.83 33.47 1nsp s MET 80 CO 0.10 -0.23 -0.15 0.08 -2.03 0.00 0.00 175.02 172.79 1nsp s VAL 81 N -3.10 1.46 0.06 5.16 1.01 -0.92 -0.79 120.40 123.28 1nsp s VAL 81 Ca -0.01 -0.62 0.06 0.00 0.00 0.00 0.00 61.98 61.41 1nsp s VAL 81 Cb 0.01 -1.34 -0.04 0.00 0.00 0.00 0.00 36.38 35.02 1nsp s VAL 81 CO -0.07 0.43 -0.10 -0.36 0.00 0.00 0.00 175.10 175.00 1nsp s PHE 82 N 0.97 2.76 -0.02 5.22 0.08 -0.62 -0.70 117.98 125.67 1nsp s PHE 82 Ca -0.07 -0.13 0.07 0.00 0.12 0.00 0.00 56.93 56.91 1nsp s PHE 82 Cb -0.15 -1.50 -0.02 0.00 -0.57 0.00 0.00 43.02 40.79 1nsp s PHE 82 CO -0.01 0.38 -0.22 -2.00 -0.10 0.00 0.00 175.22 173.26 1nsp s GLU 83 N -1.83 1.81 0.00 0.44 2.12 0.15 -1.51 118.70 119.89 1nsp s GLU 83 Ca 0.19 -0.80 0.00 0.00 0.36 0.00 0.00 54.97 54.72 1nsp s GLU 83 Cb -0.11 -1.75 0.00 0.00 0.26 0.00 0.00 34.13 32.53 1nsp s GLU 83 CO 0.10 0.48 0.00 0.41 -0.54 0.00 0.00 175.26 175.71 1nsp n GLY 84 N 2.52 1.65 3.70 -1.50 0.00 -0.05 -0.79 105.19 110.71 1nsp n GLY 84 Ca -0.15 -0.95 -0.42 0.00 0.00 0.00 0.00 46.02 44.49 1nsp n GLY 84 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1nsp s LYS 85 N -2.00 4.23 -1.79 1.61 2.20 -1.26 -2.85 119.74 119.88 1nsp s LYS 85 Ca 0.00 2.24 0.00 0.00 -0.36 0.00 0.00 55.97 57.85 1nsp s LYS 85 Cb 0.00 -3.49 0.00 0.00 -1.51 0.00 0.00 37.83 32.83 1nsp s LYS 85 CO 0.00 -0.65 0.00 0.41 -0.36 0.00 0.00 175.35 174.75 1nsp n GLY 86 N 3.84 -0.02 0.32 5.54 0.00 -1.26 -4.89 105.19 108.72 1nsp n GLY 86 Ca 0.15 -0.04 -0.05 0.00 0.00 0.00 0.00 46.02 46.08 1nsp n GLY 86 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1nsp h VAL 87 N 0.00 1.22 -0.19 1.61 3.04 -1.82 -0.56 116.25 119.55 1nsp h VAL 87 Ca -0.46 -0.49 0.03 0.00 -1.01 0.00 0.00 66.70 64.76 1nsp h VAL 87 Cb 1.34 0.11 -0.03 0.00 -2.01 0.00 0.00 31.29 30.71 1nsp h VAL 87 CO 0.57 0.23 0.03 0.58 -1.01 0.00 0.00 177.57 177.98 1nsp h VAL 88 N 1.09 0.91 0.01 1.51 2.07 -1.87 0.30 116.25 120.28 1nsp h VAL 88 Ca 0.29 -0.04 -0.25 0.00 0.82 0.00 0.00 66.70 67.52 1nsp h VAL 88 Cb -0.04 0.79 0.01 0.00 -1.52 0.00 0.00 31.29 30.53 1nsp h VAL 88 CO -0.05 0.02 -1.01 0.00 0.02 0.00 0.00 177.57 176.55 1nsp h ALA 89 N 1.14 0.25 -0.54 1.67 0.00 -1.87 -2.98 119.26 116.92 1nsp h ALA 89 Ca 0.09 -0.71 -0.02 0.00 0.00 0.00 0.00 54.91 54.26 1nsp h ALA 89 Cb 0.08 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1nsp h ALA 89 CO -0.12 0.76 0.25 1.03 0.00 0.00 0.00 179.25 181.17 1nsp h SER 90 N 0.29 0.72 -0.23 0.00 0.87 -0.82 -1.49 113.55 112.90 1nsp h SER 90 Ca -0.11 -0.14 -0.05 0.00 -1.23 0.00 0.00 61.79 60.26 1nsp h SER 90 Cb 1.65 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 63.41 1nsp h SER 90 CO 0.18 0.66 -0.01 0.00 -0.53 0.00 0.00 176.83 177.13 1nsp h ALA 91 N 1.09 1.34 -0.40 6.23 0.00 -0.43 -1.56 119.26 125.52 1nsp h ALA 91 Ca 0.19 -0.21 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 1nsp h ALA 91 Cb 0.14 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1nsp h ALA 91 CO -0.02 0.45 -0.32 0.00 0.00 0.00 0.00 179.25 179.36 1nsp h ARG 92 N 0.51 0.90 -0.43 0.00 3.08 -1.30 -2.35 114.38 114.79 1nsp h ARG 92 Ca 0.11 -0.43 -0.05 0.00 0.07 0.00 0.00 59.98 59.67 1nsp h ARG 92 Cb 0.35 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 1nsp h ARG 92 CO 0.01 1.08 0.05 1.25 -1.07 0.00 0.00 179.97 181.30 1nsp h LEU 93 N 0.75 0.63 -0.97 3.04 5.85 -0.67 -2.07 115.31 121.87 1nsp h LEU 93 Ca 0.08 -0.12 -0.09 0.00 0.84 0.00 0.00 57.88 58.59 1nsp h LEU 93 Cb 0.89 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 1nsp h LEU 93 CO 0.08 0.67 -0.41 0.24 -0.34 0.00 0.00 178.44 178.68 1nsp h MET 94 N 0.64 0.00 0.07 1.25 2.86 -1.11 -3.24 114.93 115.41 1nsp h MET 94 Ca 0.14 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.63 1nsp h MET 94 Cb 0.33 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.00 1nsp h MET 94 CO 0.01 0.41 -0.62 0.82 1.06 0.00 0.00 176.91 178.59 1nsp h ILE 95 N 0.00 1.52 0.00 -1.22 2.04 -1.23 0.41 117.51 119.03 1nsp h ILE 95 Ca -0.00 -2.33 0.00 0.00 1.00 0.00 0.00 64.86 63.53 1nsp h ILE 95 Cb 0.89 3.00 0.00 0.00 -0.74 0.00 0.00 36.82 39.97 1nsp h ILE 95 CO 0.05 0.66 0.00 0.61 0.00 0.00 0.00 178.15 179.47 1nsp n GLY 96 N 1.42 -0.38 3.91 5.37 0.00 -0.79 -1.28 105.19 113.44 1nsp n GLY 96 Ca -0.12 -2.10 -0.20 0.00 0.00 0.00 0.00 46.02 43.60 1nsp n GLY 96 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1nsp s VAL 97 N 0.00 2.94 0.26 1.61 -7.23 -1.26 -4.80 120.40 111.92 1nsp s VAL 97 Ca 0.00 -1.25 -0.02 0.00 -1.81 0.00 0.00 61.98 58.89 1nsp s VAL 97 Cb 0.00 -3.05 0.24 0.00 0.56 0.00 0.00 36.38 34.13 1nsp s VAL 97 CO 0.00 -0.04 1.71 0.74 -0.31 0.00 0.00 175.10 177.21 1nsp h THR 98 N 0.97 0.58 -3.57 5.32 2.02 -1.99 -3.35 112.91 112.89 1nsp h THR 98 Ca -0.42 -0.14 -0.63 0.00 0.77 0.00 0.00 66.41 65.99 1nsp h THR 98 Cb 1.27 0.15 -0.14 0.00 -1.74 0.00 0.00 68.15 67.69 1nsp h THR 98 CO 0.55 0.07 0.12 0.21 0.37 0.00 0.00 175.52 176.84 1nsp s ASN 99 N -5.28 6.40 0.36 4.18 3.04 -1.26 -4.59 114.94 117.79 1nsp s ASN 99 Ca -0.12 0.07 0.07 0.00 0.04 0.00 0.00 52.86 52.92 1nsp s ASN 99 Cb 0.22 -2.32 0.77 0.00 -1.54 0.00 0.00 41.25 38.38 1nsp s ASN 99 CO 0.77 -0.61 1.92 -0.65 -3.04 0.00 0.00 177.10 175.48 1nsp h PRO 100 N 8.52 0.72 0.00 0.43 0.11 -1.84 -1.70 132.00 138.24 1nsp h PRO 100 Ca -0.26 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.78 1nsp h PRO 100 Cb 1.11 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.06 1nsp h PRO 100 CO 0.84 0.47 -0.09 -0.07 -0.21 0.00 0.00 178.00 178.94 1nsp h LEU 101 N 0.74 0.00 -0.42 2.35 3.38 -1.75 -1.71 115.31 117.90 1nsp h LEU 101 Ca 0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.35 1nsp h LEU 101 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1nsp h LEU 101 CO -0.15 0.09 -0.62 0.00 0.09 0.00 0.00 178.44 177.86 1nsp n ALA 102 N -2.34 3.88 -2.00 1.53 0.00 -0.67 -4.93 120.51 115.98 1nsp n ALA 102 Ca -0.02 -0.54 -0.41 0.00 0.00 0.00 0.00 53.44 52.47 1nsp n ALA 102 Cb 0.19 -0.90 -0.04 0.00 0.00 0.00 0.00 19.45 18.70 1nsp n ALA 102 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1nsp s SER 103 N -2.74 7.19 0.40 0.00 0.01 -0.64 -4.87 113.70 113.05 1nsp s SER 103 Ca 0.15 2.19 -0.25 0.00 1.31 0.00 0.00 55.95 59.34 1nsp s SER 103 Cb 0.17 -2.61 -0.08 0.00 0.21 0.00 0.00 66.02 63.71 1nsp s SER 103 CO 0.68 -0.27 1.16 0.00 0.41 0.00 0.00 173.24 175.23 1nsp s ALA 104 N -0.35 3.14 0.29 1.44 0.00 -1.26 -4.28 121.76 120.74 1nsp s ALA 104 Ca 0.50 0.95 -0.30 0.00 0.00 0.00 0.00 51.96 53.11 1nsp s ALA 104 Cb -0.31 -3.37 -0.12 0.00 0.00 0.00 0.00 23.12 19.31 1nsp s ALA 104 CO 0.37 -0.52 1.44 -2.30 0.00 0.00 0.00 175.76 174.75 1nsp n PRO 105 N 0.03 2.28 0.00 0.00 -0.02 -1.26 -1.59 135.00 134.44 1nsp n PRO 105 Ca 0.04 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 1nsp n PRO 105 Cb 0.47 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 1nsp n PRO 105 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nsp n GLY 106 N 1.72 1.69 3.94 -1.23 0.00 -1.26 -4.98 105.19 105.07 1nsp n GLY 106 Ca 0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 1nsp n GLY 106 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1nsp s SER 107 N -0.94 6.08 0.10 1.61 1.04 -0.62 -4.93 113.70 116.04 1nsp s SER 107 Ca 0.00 0.45 -0.28 0.00 0.48 0.00 0.00 55.95 56.60 1nsp s SER 107 Cb 0.00 -1.85 -0.12 0.00 0.10 0.00 0.00 66.02 64.15 1nsp s SER 107 CO 0.00 -0.52 1.65 0.40 0.98 0.00 0.00 173.24 175.76 1nsp h ILE 108 N 0.51 0.50 0.00 -1.02 2.04 -0.90 -0.82 117.51 117.82 1nsp h ILE 108 Ca -0.48 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.30 1nsp h ILE 108 Cb 1.23 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.80 1nsp h ILE 108 CO 0.60 0.00 -0.37 0.03 0.00 0.00 0.00 178.15 178.41 1nsp h ARG 109 N -0.51 0.00 -0.14 2.37 3.08 -1.45 -1.83 114.38 115.90 1nsp h ARG 109 Ca -0.01 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.91 1nsp h ARG 109 Cb 0.47 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 1nsp h ARG 109 CO -0.04 0.37 -0.48 0.78 -1.07 0.00 0.00 179.97 179.52 1nsp h GLY 110 N 1.71 0.39 1.53 0.04 0.00 -1.66 -1.17 103.07 103.91 1nsp h GLY 110 Ca -0.00 -0.42 -0.26 0.00 0.00 0.00 0.00 47.33 46.65 1nsp h GLY 110 CO 0.05 0.37 -1.33 -0.55 0.00 0.00 0.00 176.54 175.09 1nsp h ASP 111 N 0.29 0.11 0.00 0.19 3.32 -0.96 -3.42 116.42 115.94 1nsp h ASP 111 Ca 0.02 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 56.92 1nsp h ASP 111 Cb 0.96 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.47 1nsp h ASP 111 CO 0.08 1.12 0.00 0.49 -1.72 0.00 0.00 179.24 179.21 1nsp n PHE 112 N -3.30 0.00 -4.34 4.55 3.72 -0.71 -5.08 117.46 112.31 1nsp n PHE 112 Ca -0.09 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.08 1nsp n PHE 112 Cb 1.00 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 39.46 1nsp n PHE 112 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1nsp s GLY 113 N -0.57 1.71 0.00 1.37 0.00 -0.44 -5.02 107.32 104.37 1nsp s GLY 113 Ca 0.00 -1.71 0.00 0.00 0.00 0.00 0.00 44.72 43.01 1nsp s GLY 113 CO 0.00 -1.78 0.00 -0.62 0.00 0.00 0.00 173.10 170.70 1nsp n VAL 114 N -0.80 0.00 -5.12 1.40 0.31 -1.26 -4.22 118.33 108.64 1nsp n VAL 114 Ca -0.06 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 63.96 1nsp n VAL 114 Cb 0.59 -0.03 -0.17 0.00 -0.91 0.00 0.00 33.84 33.32 1nsp n VAL 114 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1nsp s ASP 115 N -1.08 2.83 0.30 4.52 2.15 -1.26 -4.30 116.67 119.83 1nsp s ASP 115 Ca 0.00 -0.49 0.04 0.00 0.43 0.00 0.00 52.55 52.53 1nsp s ASP 115 Cb 0.00 -1.09 0.68 0.00 -0.30 0.00 0.00 42.92 42.21 1nsp s ASP 115 CO 0.00 0.17 1.79 0.58 -0.17 0.00 0.00 175.17 177.54 1nsp h VAL 116 N 5.50 0.76 0.00 1.11 2.07 -1.96 0.31 116.25 124.04 1nsp h VAL 116 Ca -0.26 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 66.98 1nsp h VAL 116 Cb 1.21 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 1nsp h VAL 116 CO 0.47 0.15 0.00 1.23 0.02 0.00 0.00 177.57 179.44 1nsp h GLY 117 N 0.82 0.00 -6.06 2.17 0.00 -1.95 -3.24 103.07 94.80 1nsp h GLY 117 Ca 0.56 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 47.31 1nsp h GLY 117 CO -0.35 0.00 -0.86 0.54 0.00 0.00 0.00 176.54 175.87 1nsp n ARG 118 N -2.58 1.63 -0.98 4.80 5.12 0.08 -4.93 116.66 119.81 1nsp n ARG 118 Ca 0.02 -3.94 -0.03 0.00 -1.93 0.00 0.00 57.85 51.97 1nsp n ARG 118 Cb 0.31 -1.74 0.32 0.00 -1.16 0.00 0.00 32.46 30.19 1nsp n ARG 118 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1nsp n ASN 119 N 1.06 4.90 0.00 0.55 0.23 -1.14 -4.25 115.26 116.62 1nsp n ASN 119 Ca 0.26 -3.19 0.00 0.00 -0.53 0.00 0.00 54.58 51.12 1nsp n ASN 119 Cb 0.48 -0.73 0.00 0.00 -2.08 0.00 0.00 39.78 37.45 1nsp n ASN 119 CO 0.00 0.00 0.00 -0.38 -0.93 0.00 0.00 177.26 175.95 1nsp n ILE 120 N -0.08 0.00 -2.57 1.53 5.41 -1.26 -4.89 119.36 117.51 1nsp n ILE 120 Ca 0.38 0.00 0.00 0.00 1.00 0.00 0.00 62.75 64.13 1nsp n ILE 120 Cb 1.34 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 40.27 1nsp n ILE 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1nsp n ILE 121 N 0.00 0.00 0.00 1.39 3.06 -1.26 -0.55 119.36 122.00 1nsp n ILE 121 Ca 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 1nsp n ILE 121 Cb 0.00 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.18 1nsp n ILE 121 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1nsp n GLY 123 N 0.00 2.15 3.73 4.50 0.00 -1.26 -4.90 105.19 109.41 1nsp n GLY 123 Ca 0.00 0.08 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 1nsp n GLY 123 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1nsp n SER 124 N 0.00 3.04 -0.14 1.61 7.64 -0.90 -4.90 113.62 119.96 1nsp n SER 124 Ca 0.00 1.15 0.13 0.00 1.01 0.00 0.00 58.87 61.16 1nsp n SER 124 Cb 0.00 -1.55 0.41 0.00 -1.01 0.00 0.00 64.21 62.06 1nsp n SER 124 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1nsp n ASP 125 N 0.24 0.71 -3.69 6.43 5.68 -1.26 -4.84 116.55 119.82 1nsp n ASP 125 Ca 0.05 -0.58 -0.08 0.00 -0.50 0.00 0.00 54.79 53.67 1nsp n ASP 125 Cb 0.39 0.09 -0.02 0.00 -1.14 0.00 0.00 41.12 40.44 1nsp n ASP 125 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1nsp s SER 126 N -2.65 -0.36 0.21 -1.12 1.04 -1.26 -4.96 113.70 104.60 1nsp s SER 126 Ca 0.21 -0.37 -0.09 0.00 0.48 0.00 0.00 55.95 56.19 1nsp s SER 126 Cb 0.19 0.65 0.16 0.00 0.10 0.00 0.00 66.02 67.12 1nsp s SER 126 CO 0.56 -1.16 1.83 0.58 0.98 0.00 0.00 173.24 176.03 1nsp h VAL 127 N 2.00 1.23 -0.29 5.02 2.07 -1.93 0.45 116.25 124.80 1nsp h VAL 127 Ca -0.25 -0.57 -0.16 0.00 0.82 0.00 0.00 66.70 66.55 1nsp h VAL 127 Cb 1.27 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 1nsp h VAL 127 CO 0.29 0.25 -0.45 -0.33 0.02 0.00 0.00 177.57 177.35 1nsp h GLU 128 N 1.08 0.75 -0.24 1.57 3.07 -1.97 0.21 114.58 119.05 1nsp h GLU 128 Ca 0.27 -0.42 -0.15 0.00 -0.50 0.00 0.00 59.36 58.56 1nsp h GLU 128 Cb 0.02 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 27.95 1nsp h GLU 128 CO -0.05 1.05 -0.48 0.66 -1.40 0.00 0.00 179.01 178.79 1nsp h SER 129 N 0.60 0.69 -0.56 1.42 4.64 -1.86 -1.87 113.55 116.61 1nsp h SER 129 Ca 0.04 -0.34 0.02 0.00 -0.47 0.00 0.00 61.79 61.03 1nsp h SER 129 Cb 1.01 -0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 62.87 1nsp h SER 129 CO 0.10 1.06 0.35 0.00 -0.87 0.00 0.00 176.83 177.46 1nsp h ALA 130 N 0.96 0.71 -0.54 5.18 0.00 0.44 0.12 119.26 126.13 1nsp h ALA 130 Ca 0.03 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1nsp h ALA 130 Cb 1.02 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1nsp h ALA 130 CO 0.10 0.08 0.25 -0.91 0.00 0.00 0.00 179.25 178.78 1nsp h ASN 131 N 0.69 0.71 -0.11 0.00 2.35 -0.43 -0.93 115.58 117.87 1nsp h ASN 131 Ca 0.22 -0.13 -0.01 0.00 -0.55 0.00 0.00 56.30 55.82 1nsp h ASN 131 Cb -0.01 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.17 1nsp h ASN 131 CO -0.08 0.65 0.02 -0.09 -1.65 0.00 0.00 177.43 176.27 1nsp h ARG 132 N 0.73 0.18 -0.61 0.81 2.43 -0.89 -2.64 114.38 114.38 1nsp h ARG 132 Ca 0.18 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.29 1nsp h ARG 132 Cb 0.13 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.63 1nsp h ARG 132 CO -0.02 0.39 0.33 0.93 -1.51 0.00 0.00 179.97 180.08 1nsp h GLU 133 N -0.05 0.86 -0.25 0.20 5.08 -0.66 -0.49 114.58 119.27 1nsp h GLU 133 Ca 0.03 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1nsp h GLU 133 Cb 0.29 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1nsp h GLU 133 CO 0.00 0.66 0.12 0.82 -1.00 0.00 0.00 179.01 179.61 1nsp h ILE 134 N 0.83 1.14 0.00 3.13 2.04 -1.22 0.35 117.51 123.77 1nsp h ILE 134 Ca 0.21 -0.38 -0.02 0.00 1.00 0.00 0.00 64.86 65.67 1nsp h ILE 134 Cb 0.06 0.94 -0.00 0.00 -0.74 0.00 0.00 36.82 37.07 1nsp h ILE 134 CO -0.03 0.13 -0.12 0.00 0.00 0.00 0.00 178.15 178.14 1nsp h ALA 135 N 0.99 1.09 0.05 1.87 0.00 -1.37 0.13 119.26 122.03 1nsp h ALA 135 Ca 0.09 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 1nsp h ALA 135 Cb 0.10 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.88 1nsp h ALA 135 CO -0.01 0.14 -0.36 1.25 0.00 0.00 0.00 179.25 180.27 1nsp h LEU 136 N 0.00 0.23 0.00 0.00 6.46 -0.25 -3.39 115.31 118.36 1nsp h LEU 136 Ca -0.00 -0.94 -0.10 0.00 -0.12 0.00 0.00 57.88 56.72 1nsp h LEU 136 Cb 0.50 -0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 40.34 1nsp h LEU 136 CO 0.02 1.15 -0.90 -0.50 -0.62 0.00 0.00 178.44 177.58 1nsp h TRP 137 N -0.65 0.00 -4.13 1.25 4.06 -0.21 -3.47 115.95 112.79 1nsp h TRP 137 Ca -0.06 0.00 -0.53 0.00 2.06 0.00 0.00 58.89 60.36 1nsp h TRP 137 Cb 1.25 0.00 -0.26 0.00 -1.00 0.00 0.00 29.16 29.15 1nsp h TRP 137 CO 0.23 0.41 -0.82 -0.06 -3.56 0.00 0.00 178.44 174.63 1nsp s PHE 138 N -3.03 1.58 0.29 0.49 0.40 0.44 -5.08 117.98 113.07 1nsp s PHE 138 Ca 0.01 -0.36 -0.15 0.00 -0.60 0.00 0.00 56.93 55.82 1nsp s PHE 138 Cb 0.08 -0.95 -0.09 0.00 0.51 0.00 0.00 43.02 42.58 1nsp s PHE 138 CO 0.77 0.07 0.71 0.15 0.70 0.00 0.00 175.22 177.62 1nsp s LYS 139 N -1.11 4.04 0.49 0.44 1.02 -1.26 -4.51 119.74 118.85 1nsp s LYS 139 Ca 0.05 0.67 0.22 0.00 0.02 0.00 0.00 55.97 56.93 1nsp s LYS 139 Cb -0.08 -2.56 1.27 0.00 -0.52 0.00 0.00 37.83 35.94 1nsp s LYS 139 CO 0.01 0.23 1.97 -1.35 -0.92 0.00 0.00 175.35 175.29 1nsp h PRO 140 N 2.57 0.15 0.00 -1.68 0.11 -1.94 0.29 132.00 131.49 1nsp h PRO 140 Ca -0.48 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 1nsp h PRO 140 Cb 1.18 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 1nsp h PRO 140 CO 0.66 0.10 -0.04 0.93 -0.21 0.00 0.00 178.00 179.43 1nsp h GLU 141 N 0.15 0.00 -0.01 1.05 3.07 -2.03 -2.45 114.58 114.36 1nsp h GLU 141 Ca 0.29 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.15 1nsp h GLU 141 Cb 0.95 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.86 1nsp h GLU 141 CO -0.04 0.04 -0.04 0.39 -1.40 0.00 0.00 179.01 177.95 1nsp n GLU 142 N -3.38 1.28 -4.70 2.33 1.02 0.10 -4.87 120.64 112.42 1nsp n GLU 142 Ca -0.02 -0.59 -0.33 0.00 -0.02 0.00 0.00 57.16 56.21 1nsp n GLU 142 Cb 0.17 -1.49 -0.12 0.00 -0.02 0.00 0.00 31.44 29.98 1nsp n GLU 142 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1nsp s LEU 143 N -2.13 2.91 0.25 -4.62 1.43 -0.92 -4.47 118.68 111.12 1nsp s LEU 143 Ca 0.37 -0.18 -0.30 0.00 -1.03 0.00 0.00 54.13 52.99 1nsp s LEU 143 Cb 0.21 -1.64 -0.09 0.00 0.03 0.00 0.00 46.19 44.69 1nsp s LEU 143 CO 0.38 0.32 1.31 -0.76 0.23 0.00 0.00 176.35 177.84 1nsp s LEU 144 N -1.02 4.42 -0.21 1.79 1.43 -0.10 -4.92 118.68 120.08 1nsp s LEU 144 Ca 0.13 2.51 0.04 0.00 -1.03 0.00 0.00 54.13 55.79 1nsp s LEU 144 Cb -0.11 -3.62 -0.21 0.00 0.03 0.00 0.00 46.19 42.28 1nsp s LEU 144 CO 0.03 -0.53 -0.00 0.35 0.23 0.00 0.00 176.35 176.43 1nsp n THR 145 N 2.02 1.53 -3.21 5.49 -2.24 -1.26 -4.76 114.28 111.84 1nsp n THR 145 Ca 0.04 -0.66 -0.46 0.00 -2.27 0.00 0.00 64.05 60.71 1nsp n THR 145 Cb 0.42 -1.25 -0.04 0.00 -2.10 0.00 0.00 70.33 67.36 1nsp n THR 145 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1nsp s GLU 146 N -2.53 3.13 -0.17 -0.78 4.04 -1.26 -5.04 118.70 116.08 1nsp s GLU 146 Ca -0.26 -1.66 -0.06 0.00 0.04 0.00 0.00 54.97 53.04 1nsp s GLU 146 Cb 0.08 -4.33 -0.03 0.00 0.02 0.00 0.00 34.13 29.86 1nsp s GLU 146 CO 0.69 -1.43 0.01 0.08 -1.84 0.00 0.00 175.26 172.77 1nsp s VAL 147 N 1.89 4.33 -0.25 1.83 1.01 -1.26 -5.08 120.40 122.88 1nsp s VAL 147 Ca 0.10 -0.20 -0.01 0.00 0.00 0.00 0.00 61.98 61.87 1nsp s VAL 147 Cb -0.24 -2.93 0.08 0.00 0.00 0.00 0.00 36.38 33.29 1nsp s VAL 147 CO 0.02 0.47 0.05 -0.54 0.00 0.00 0.00 175.10 175.10 1nsp s LYS 148 N 0.42 0.83 0.81 2.72 -0.14 -1.26 -5.14 119.74 117.98 1nsp s LYS 148 Ca -0.00 -0.79 -0.09 0.00 -1.36 0.00 0.00 55.97 53.73 1nsp s LYS 148 Cb -0.13 -2.13 0.12 0.00 -1.68 0.00 0.00 37.83 34.01 1nsp s LYS 148 CO 0.02 -0.78 1.14 -1.25 -0.76 0.00 0.00 175.35 173.71 1nsp s PRO 149 N 1.68 1.54 0.25 -1.68 0.04 -1.26 -5.00 135.00 130.57 1nsp s PRO 149 Ca 0.03 -0.42 -0.31 0.00 0.04 0.00 0.00 61.00 60.34 1nsp s PRO 149 Cb -0.17 -2.06 -0.12 0.00 0.04 0.00 0.00 34.50 32.19 1nsp s PRO 149 CO -0.15 -1.72 1.67 1.21 0.04 0.00 0.00 177.00 178.05 1nsp s ASN 150 N -4.69 6.37 0.00 6.66 3.84 -1.26 -4.85 114.94 121.01 1nsp s ASN 150 Ca 0.66 2.92 0.13 0.00 0.21 0.00 0.00 52.86 56.78 1nsp s ASN 150 Cb -0.07 -2.62 0.56 0.00 -0.55 0.00 0.00 41.25 38.57 1nsp s ASN 150 CO 0.48 -0.96 1.41 -0.81 -2.79 0.00 0.00 177.10 174.43 1nsp n PRO 151 N 3.18 0.02 -0.11 0.43 -0.04 -1.26 -1.86 135.00 135.36 1nsp n PRO 151 Ca 0.13 0.27 0.11 0.00 -0.04 0.00 0.00 63.50 63.97 1nsp n PRO 151 Cb 0.36 -1.50 0.30 0.00 -0.04 0.00 0.00 33.50 32.62 1nsp n PRO 151 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1nsp n ASN 152 N -1.48 2.41 -0.03 3.54 3.02 -1.26 -4.14 115.26 117.32 1nsp n ASN 152 Ca 0.03 -1.83 -0.18 0.00 -0.03 0.00 0.00 54.58 52.58 1nsp n ASN 152 Cb 0.15 -0.14 -0.14 0.00 -0.61 0.00 0.00 39.78 39.04 1nsp n ASN 152 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1nsp n LEU 153 N 0.82 2.17 -4.35 3.41 4.77 -0.78 -4.97 117.00 118.08 1nsp n LEU 153 Ca 0.17 0.18 -0.31 0.00 -0.03 0.00 0.00 56.01 56.02 1nsp n LEU 153 Cb 0.45 -0.72 -0.15 0.00 -2.33 0.00 0.00 43.42 40.67 1nsp n LEU 153 CO 0.14 0.75 -0.54 -0.31 -1.33 0.00 0.00 177.39 176.10 1nsp s TYR 154 N -2.56 2.43 -2.01 -1.77 2.02 -1.26 -5.11 117.35 109.09 1nsp s TYR 154 Ca -0.20 -0.40 0.32 0.00 -0.37 0.00 0.00 57.07 56.42 1nsp s TYR 154 Cb 0.07 -1.54 1.89 0.00 -0.40 0.00 0.00 41.96 41.98 1nsp s TYR 154 CO 0.76 -0.00 2.22 -1.91 -1.57 0.00 0.00 175.55 175.04