#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d8a n PHE 3 N 0.00 0.03 0.30 1.61 1.16 -1.18 -2.81 117.46 116.56 1d8a n PHE 3 Ca 0.00 -0.02 0.03 0.00 -1.87 0.00 0.00 57.45 55.60 1d8a n PHE 3 Cb 0.00 0.00 0.01 0.00 -1.61 0.00 0.00 39.48 37.88 1d8a n PHE 3 CO 0.00 0.00 0.00 -0.11 -1.87 0.00 0.00 176.76 174.78 1d8a n LEU 4 N -0.47 1.24 -4.55 5.98 7.94 -0.55 -4.51 117.00 122.08 1d8a n LEU 4 Ca 0.03 -0.86 -0.44 0.00 -1.11 0.00 0.00 56.01 53.63 1d8a n LEU 4 Cb 0.03 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 43.98 1d8a n LEU 4 CO 0.02 0.26 0.42 -0.24 -1.11 0.00 0.00 177.39 176.74 1d8a n SER 5 N -0.02 0.65 0.00 1.96 2.88 -0.96 -1.38 113.62 116.75 1d8a n SER 5 Ca 0.03 1.10 0.00 0.00 -1.33 0.00 0.00 58.87 58.68 1d8a n SER 5 Cb 0.16 -1.23 0.00 0.00 -0.75 0.00 0.00 64.21 62.38 1d8a n SER 5 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1d8a n GLY 6 N 1.39 2.68 3.81 0.46 0.00 -1.23 -4.94 105.19 107.37 1d8a n GLY 6 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 1d8a n GLY 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1d8a s LYS 7 N 0.00 4.29 -0.27 1.61 -0.14 -0.48 -4.90 119.74 119.85 1d8a s LYS 7 Ca 0.00 1.16 0.02 0.00 -1.36 0.00 0.00 55.97 55.79 1d8a s LYS 7 Cb 0.00 -2.29 0.07 0.00 -1.68 0.00 0.00 37.83 33.93 1d8a s LYS 7 CO 0.00 0.02 -0.02 1.03 -0.76 0.00 0.00 175.35 175.62 1d8a s ARG 8 N -2.98 1.59 -0.06 1.68 0.52 -1.26 0.01 118.95 118.45 1d8a s ARG 8 Ca 0.60 -1.26 0.04 0.00 -0.52 0.00 0.00 55.73 54.59 1d8a s ARG 8 Cb -0.11 -2.71 -0.02 0.00 0.52 0.00 0.00 34.95 32.63 1d8a s ARG 8 CO 0.15 -0.72 -0.18 0.42 0.02 0.00 0.00 175.30 175.00 1d8a s ILE 9 N 1.26 2.72 -0.30 1.52 1.01 -0.12 -0.75 121.20 126.53 1d8a s ILE 9 Ca -0.01 -0.84 -0.15 0.00 0.00 0.00 0.00 60.65 59.65 1d8a s ILE 9 Cb -0.19 -2.05 -0.02 0.00 0.01 0.00 0.00 42.46 40.21 1d8a s ILE 9 CO -0.09 0.58 0.38 -0.22 0.00 0.00 0.00 174.94 175.59 1d8a s LEU 10 N -0.45 4.21 -0.16 2.97 2.96 -0.91 -0.95 118.68 126.35 1d8a s LEU 10 Ca 0.05 0.07 -0.06 0.00 -0.22 0.00 0.00 54.13 53.97 1d8a s LEU 10 Cb -0.12 -2.41 -0.04 0.00 0.50 0.00 0.00 46.19 44.12 1d8a s LEU 10 CO 0.02 -0.27 0.04 -0.69 -1.32 0.00 0.00 176.35 174.13 1d8a s VAL 11 N 2.09 4.65 0.39 1.68 1.01 0.38 -0.89 120.40 129.72 1d8a s VAL 11 Ca 0.14 -0.09 0.08 0.00 0.00 0.00 0.00 61.98 62.11 1d8a s VAL 11 Cb -0.16 -3.06 -0.07 0.00 0.00 0.00 0.00 36.38 33.08 1d8a s VAL 11 CO 0.11 0.50 -0.01 0.42 0.00 0.00 0.00 175.10 176.12 1d8a s THR 12 N 0.07 2.08 0.00 3.92 -4.23 -1.07 -2.50 115.64 113.92 1d8a s THR 12 Ca 0.04 -2.04 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 1d8a s THR 12 Cb -0.12 -2.90 0.00 0.00 1.34 0.00 0.00 72.50 70.81 1d8a s THR 12 CO 0.01 -0.06 0.00 0.61 -0.54 0.00 0.00 174.62 174.64 1d8a n GLY 13 N -0.93 1.04 3.64 3.99 0.00 -1.26 -4.10 105.19 107.57 1d8a n GLY 13 Ca -0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 1d8a n GLY 13 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1d8a s VAL 14 N -3.33 3.78 0.00 1.61 1.01 -1.26 -4.71 120.40 117.50 1d8a s VAL 14 Ca 0.00 0.90 0.00 0.00 0.00 0.00 0.00 61.98 62.88 1d8a s VAL 14 Cb 0.00 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.63 1d8a s VAL 14 CO 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 175.10 174.83 1d8a n ALA 15 N 8.02 1.95 -3.82 5.51 0.00 -1.26 -4.83 120.51 126.07 1d8a n ALA 15 Ca 0.18 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.54 1d8a n ALA 15 Cb 0.45 0.16 0.03 0.00 0.00 0.00 0.00 19.45 20.08 1d8a n ALA 15 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1d8a s SER 16 N -2.58 0.03 0.05 0.00 1.04 -1.26 -4.95 113.70 106.02 1d8a s SER 16 Ca 0.00 -1.09 0.18 0.00 0.48 0.00 0.00 55.95 55.52 1d8a s SER 16 Cb 0.00 0.79 0.75 0.00 0.10 0.00 0.00 66.02 67.66 1d8a s SER 16 CO 0.00 -1.57 1.57 1.17 0.98 0.00 0.00 173.24 175.39 1d8a n LYS 17 N -0.58 0.04 0.07 4.02 4.81 -1.26 -1.87 118.16 123.39 1d8a n LYS 17 Ca -0.07 0.25 0.11 0.00 -0.87 0.00 0.00 58.31 57.73 1d8a n LYS 17 Cb 0.60 -1.57 0.02 0.00 0.02 0.00 0.00 35.03 34.09 1d8a n LYS 17 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1d8a n LEU 18 N -1.65 0.68 -4.65 3.14 4.32 -1.26 -4.85 117.00 112.73 1d8a n LEU 18 Ca 0.04 0.19 -0.44 0.00 -0.02 0.00 0.00 56.01 55.78 1d8a n LEU 18 Cb 0.21 -0.08 -0.01 0.00 -1.62 0.00 0.00 43.42 41.91 1d8a n LEU 18 CO 0.16 -0.09 0.80 -1.20 -1.22 0.00 0.00 177.39 175.85 1d8a n SER 19 N -2.37 2.21 -0.26 -1.43 7.64 -0.78 -4.76 113.62 113.86 1d8a n SER 19 Ca 0.01 1.18 -0.03 0.00 1.01 0.00 0.00 58.87 61.04 1d8a n SER 19 Cb 0.51 -1.40 0.13 0.00 -1.01 0.00 0.00 64.21 62.44 1d8a n SER 19 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1d8a h ILE 20 N 2.46 1.24 -0.57 0.44 2.04 -1.89 -1.93 117.51 119.30 1d8a h ILE 20 Ca -0.44 -0.67 0.00 0.00 1.00 0.00 0.00 64.86 64.75 1d8a h ILE 20 Cb 1.30 0.24 -0.03 0.00 -0.74 0.00 0.00 36.82 37.59 1d8a h ILE 20 CO 0.65 0.29 0.37 0.00 0.00 0.00 0.00 178.15 179.45 1d8a h ALA 21 N 1.31 1.57 -0.71 1.87 0.00 -1.86 0.30 119.26 121.74 1d8a h ALA 21 Ca 0.27 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1d8a h ALA 21 Cb 0.10 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1d8a h ALA 21 CO -0.04 0.39 0.38 -0.92 0.00 0.00 0.00 179.25 179.06 1d8a h TYR 22 N 0.78 0.97 -0.41 0.00 5.03 -1.62 0.46 116.97 122.17 1d8a h TYR 22 Ca 0.21 -0.02 -0.12 0.00 2.58 0.00 0.00 58.73 61.38 1d8a h TYR 22 Cb -0.07 -0.31 -0.01 0.00 1.55 0.00 0.00 36.73 37.88 1d8a h TYR 22 CO 0.00 0.68 -0.20 0.78 -1.32 0.00 0.00 178.16 178.10 1d8a h GLY 23 N 1.04 0.94 0.79 1.82 0.00 -0.83 -0.85 103.07 105.98 1d8a h GLY 23 Ca 0.25 -0.85 -0.01 0.00 0.00 0.00 0.00 47.33 46.73 1d8a h GLY 23 CO -0.04 0.77 -0.07 -2.22 0.00 0.00 0.00 176.54 174.98 1d8a h ILE 24 N 0.69 0.97 -0.98 2.60 2.04 -0.15 -1.90 117.51 120.77 1d8a h ILE 24 Ca 0.09 -0.46 0.07 0.00 1.00 0.00 0.00 64.86 65.57 1d8a h ILE 24 Cb 0.76 1.25 -0.07 0.00 -0.74 0.00 0.00 36.82 38.03 1d8a h ILE 24 CO 0.06 0.11 0.63 0.00 0.00 0.00 0.00 178.15 178.95 1d8a h ALA 25 N 0.42 1.44 0.35 1.87 0.00 -0.12 0.57 119.26 123.79 1d8a h ALA 25 Ca -0.02 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1d8a h ALA 25 Cb 0.32 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1d8a h ALA 25 CO 0.03 0.40 -0.31 0.37 0.00 0.00 0.00 179.25 179.75 1d8a h GLN 26 N 1.13 -0.65 -0.26 0.00 4.15 -0.94 0.16 115.11 118.70 1d8a h GLN 26 Ca 0.43 0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.88 1d8a h GLN 26 Cb 0.21 0.15 -0.01 0.00 0.21 0.00 0.00 27.48 28.03 1d8a h GLN 26 CO -0.17 -0.43 0.12 0.00 -1.93 0.00 0.00 178.83 176.41 1d8a h ALA 27 N -0.14 0.33 -0.41 3.38 0.00 -0.88 -2.02 119.26 119.52 1d8a h ALA 27 Ca -0.03 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.84 1d8a h ALA 27 Cb 0.59 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 1d8a h ALA 27 CO -0.03 -0.10 0.13 0.52 0.00 0.00 0.00 179.25 179.77 1d8a h MET 28 N 0.28 0.27 -0.93 0.00 2.86 -0.77 -0.38 114.93 116.26 1d8a h MET 28 Ca 0.09 -0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.73 1d8a h MET 28 Cb 0.13 -0.06 -0.05 0.00 0.06 0.00 0.00 31.60 31.68 1d8a h MET 28 CO -0.01 0.18 0.61 1.25 1.06 0.00 0.00 176.91 180.00 1d8a h HIS 29 N 0.28 1.15 0.01 -0.22 6.17 -0.85 -2.25 115.15 119.44 1d8a h HIS 29 Ca 0.19 0.03 0.02 0.00 0.71 0.00 0.00 60.37 61.32 1d8a h HIS 29 Cb 0.20 -0.39 -0.02 0.00 2.52 0.00 0.00 27.41 29.72 1d8a h HIS 29 CO -0.17 0.70 -0.10 -0.09 0.71 0.00 0.00 177.93 178.98 1d8a h ARG 30 N 1.22 -0.17 0.00 5.26 2.43 -0.46 -0.72 114.38 121.94 1d8a h ARG 30 Ca 0.35 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.54 1d8a h ARG 30 Cb -0.08 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.51 1d8a h ARG 30 CO -0.10 -0.11 0.00 0.39 -1.51 0.00 0.00 179.97 178.64 1d8a n GLU 31 N -5.22 0.53 -1.87 0.20 -0.58 -0.27 -4.59 120.64 108.83 1d8a n GLU 31 Ca -0.06 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.68 1d8a n GLU 31 Cb 0.15 -1.15 0.00 0.00 -0.57 0.00 0.00 31.44 29.87 1d8a n GLU 31 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1d8a n GLY 32 N 0.04 0.53 3.89 0.62 0.00 -0.28 -1.48 105.19 108.51 1d8a n GLY 32 Ca 0.04 -0.81 -0.30 0.00 0.00 0.00 0.00 46.02 44.95 1d8a n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d8a s ALA 33 N -2.06 3.66 -0.20 4.61 0.00 -0.92 -3.29 121.76 123.57 1d8a s ALA 33 Ca 0.00 -0.49 -0.20 0.00 0.00 0.00 0.00 51.96 51.27 1d8a s ALA 33 Cb 0.00 -2.28 -0.03 0.00 0.00 0.00 0.00 23.12 20.82 1d8a s ALA 33 CO 0.00 0.45 0.60 -1.21 0.00 0.00 0.00 175.76 175.61 1d8a s GLU 34 N -3.06 4.19 0.18 0.00 2.02 0.10 -4.53 118.70 117.60 1d8a s GLU 34 Ca 0.44 0.56 0.04 0.00 0.02 0.00 0.00 54.97 56.03 1d8a s GLU 34 Cb -0.11 -3.58 -0.04 0.00 0.10 0.00 0.00 34.13 30.50 1d8a s GLU 34 CO 0.26 -0.24 0.22 -0.51 0.02 0.00 0.00 175.26 175.01 1d8a s LEU 35 N 1.91 4.06 -0.01 1.80 1.43 -1.26 -0.95 118.68 125.66 1d8a s LEU 35 Ca 0.27 -0.01 0.02 0.00 -1.03 0.00 0.00 54.13 53.39 1d8a s LEU 35 Cb -0.16 -2.64 -0.01 0.00 0.03 0.00 0.00 46.19 43.42 1d8a s LEU 35 CO 0.10 0.04 -0.08 0.00 0.23 0.00 0.00 176.35 176.64 1d8a s ALA 36 N -1.81 0.67 0.03 4.21 0.00 -0.12 -4.70 121.76 120.03 1d8a s ALA 36 Ca 0.33 -0.34 0.06 0.00 0.00 0.00 0.00 51.96 52.01 1d8a s ALA 36 Cb -0.10 -0.18 -0.02 0.00 0.00 0.00 0.00 23.12 22.82 1d8a s ALA 36 CO 0.26 0.16 -0.19 -0.06 0.00 0.00 0.00 175.76 175.93 1d8a s PHE 37 N -0.16 1.66 0.32 0.00 0.08 -0.16 0.14 117.98 119.86 1d8a s PHE 37 Ca 0.03 -0.35 0.09 0.00 0.12 0.00 0.00 56.93 56.82 1d8a s PHE 37 Cb -0.03 -1.01 -0.05 0.00 -0.57 0.00 0.00 43.02 41.35 1d8a s PHE 37 CO -0.00 0.05 -0.01 0.95 -0.10 0.00 0.00 175.22 176.10 1d8a s THR 38 N -0.69 2.78 -0.05 0.64 -4.23 -1.04 -0.24 115.64 112.80 1d8a s THR 38 Ca 0.06 -2.01 -0.03 0.00 -1.18 0.00 0.00 61.69 58.53 1d8a s THR 38 Cb -0.08 -2.75 0.02 0.00 1.34 0.00 0.00 72.50 71.03 1d8a s THR 38 CO 0.01 -0.26 0.12 -0.72 -0.54 0.00 0.00 174.62 173.23 1d8a s TYR 39 N -2.48 -0.13 0.15 3.99 1.13 -0.06 -4.53 117.35 115.42 1d8a s TYR 39 Ca 0.34 0.36 -0.17 0.00 -1.41 0.00 0.00 57.07 56.19 1d8a s TYR 39 Cb -0.02 -0.01 0.05 0.00 -1.10 0.00 0.00 41.96 40.88 1d8a s TYR 39 CO 0.19 -0.10 1.74 0.37 -2.51 0.00 0.00 175.55 175.24 1d8a h GLN 40 N 6.41 0.19 0.00 -3.49 4.15 -1.90 -1.40 115.11 119.08 1d8a h GLN 40 Ca -0.31 -0.01 -0.13 0.00 0.77 0.00 0.00 58.65 58.97 1d8a h GLN 40 Cb 1.18 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 28.80 1d8a h GLN 40 CO 0.43 0.13 -0.05 0.27 -1.93 0.00 0.00 178.83 177.69 1d8a n ASN 41 N -5.07 -0.77 0.17 -0.69 0.23 -1.26 -4.34 115.26 103.53 1d8a n ASN 41 Ca 0.01 -1.96 0.02 0.00 -0.53 0.00 0.00 54.58 52.11 1d8a n ASN 41 Cb 0.14 1.41 0.36 0.00 -2.08 0.00 0.00 39.78 39.61 1d8a n ASN 41 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1d8a h ASP 42 N 1.03 0.05 -0.26 0.53 3.45 -2.00 -1.51 116.42 117.70 1d8a h ASP 42 Ca -0.15 -0.01 -0.00 0.00 0.43 0.00 0.00 57.03 57.30 1d8a h ASP 42 Cb 0.62 -0.01 -0.01 0.00 -0.56 0.00 0.00 39.33 39.37 1d8a h ASP 42 CO 0.20 0.38 0.16 0.50 -1.57 0.00 0.00 179.24 178.91 1d8a h LYS 43 N 0.04 0.36 0.00 3.56 3.64 -2.00 -3.07 116.57 119.09 1d8a h LYS 43 Ca 0.00 -0.03 -0.29 0.00 -1.27 0.00 0.00 60.65 59.07 1d8a h LYS 43 Cb 0.62 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 32.31 1d8a h LYS 43 CO 0.05 0.25 -1.95 1.28 -2.27 0.00 0.00 179.45 176.80 1d8a n LEU 44 N -4.48 0.47 -0.12 5.20 4.32 -0.97 -4.70 117.00 116.72 1d8a n LEU 44 Ca 0.01 0.22 -0.03 0.00 -0.02 0.00 0.00 56.01 56.19 1d8a n LEU 44 Cb 0.08 0.28 -0.03 0.00 -1.62 0.00 0.00 43.42 42.13 1d8a n LEU 44 CO 0.35 0.37 0.30 1.17 -1.22 0.00 0.00 177.39 178.36 1d8a n LYS 45 N -2.85 -0.13 -0.24 3.23 4.81 -0.61 -1.95 118.16 120.43 1d8a n LYS 45 Ca -0.21 0.75 -0.03 0.00 -0.87 0.00 0.00 58.31 57.95 1d8a n LYS 45 Cb 1.03 -1.12 0.03 0.00 0.02 0.00 0.00 35.03 34.99 1d8a n LYS 45 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1d8a h GLY 46 N 0.00 0.08 0.95 3.14 0.00 -1.84 -0.44 103.07 104.96 1d8a h GLY 46 Ca 0.05 0.39 -0.01 0.00 0.00 0.00 0.00 47.33 47.76 1d8a h GLY 46 CO -0.27 -0.23 0.18 -0.09 0.00 0.00 0.00 176.54 176.13 1d8a h ARG 47 N -0.10 0.50 -0.93 4.80 9.65 -1.71 -1.37 114.38 125.21 1d8a h ARG 47 Ca 0.28 -0.07 0.01 0.00 -1.10 0.00 0.00 59.98 59.10 1d8a h ARG 47 Cb 0.55 -0.09 -0.05 0.00 -1.39 0.00 0.00 29.97 29.00 1d8a h ARG 47 CO -0.73 0.44 0.61 0.28 2.80 0.00 0.00 179.97 183.36 1d8a h VAL 48 N 0.43 1.24 -0.80 0.20 2.07 -1.17 -0.19 116.25 118.04 1d8a h VAL 48 Ca 0.12 -0.45 0.02 0.00 0.82 0.00 0.00 66.70 67.22 1d8a h VAL 48 Cb 0.10 -0.12 -0.04 0.00 -1.52 0.00 0.00 31.29 29.70 1d8a h VAL 48 CO -0.02 0.24 0.53 -0.33 0.02 0.00 0.00 177.57 178.01 1d8a h GLU 49 N 1.26 1.00 0.22 1.57 5.08 -0.73 0.29 114.58 123.28 1d8a h GLU 49 Ca 0.34 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.63 1d8a h GLU 49 Cb -0.14 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 28.89 1d8a h GLU 49 CO -0.07 0.66 -0.11 0.93 -1.00 0.00 0.00 179.01 179.43 1d8a h GLU 50 N 1.03 -0.29 -0.75 2.33 5.08 0.04 -1.66 114.58 120.37 1d8a h GLU 50 Ca 0.31 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.68 1d8a h GLU 50 Cb -0.03 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.24 1d8a h GLU 50 CO -0.08 -0.02 0.45 0.74 -1.00 0.00 0.00 179.01 179.10 1d8a h PHE 51 N -0.54 0.98 -0.30 4.33 0.05 -0.80 -1.81 116.94 118.84 1d8a h PHE 51 Ca -0.03 -0.00 0.04 0.00 3.82 0.00 0.00 57.97 61.80 1d8a h PHE 51 Cb 0.40 -0.32 -0.04 0.00 2.00 0.00 0.00 35.95 37.99 1d8a h PHE 51 CO 0.01 0.66 0.07 0.00 -0.18 0.00 0.00 178.31 178.86 1d8a h ALA 52 N 1.46 0.33 -0.52 2.45 0.00 -0.29 -1.54 119.26 121.16 1d8a h ALA 52 Ca 0.27 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1d8a h ALA 52 Cb -0.04 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1d8a h ALA 52 CO -0.05 -0.33 0.34 0.00 0.00 0.00 0.00 179.25 179.21 1d8a h ALA 53 N 1.21 0.65 -0.69 0.00 0.00 -0.68 0.28 119.26 120.04 1d8a h ALA 53 Ca 0.14 -0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.12 1d8a h ALA 53 Cb 0.14 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 1d8a h ALA 53 CO -0.17 0.10 0.46 1.96 0.00 0.00 0.00 179.25 181.60 1d8a h GLN 54 N 0.70 0.48 -1.00 0.00 4.20 -0.72 -1.65 115.11 117.12 1d8a h GLN 54 Ca 0.19 -0.03 -0.43 0.00 0.06 0.00 0.00 58.65 58.44 1d8a h GLN 54 Cb -0.08 -0.11 -0.26 0.00 0.30 0.00 0.00 27.48 27.33 1d8a h GLN 54 CO -0.04 0.32 0.55 1.28 -0.67 0.00 0.00 178.83 180.27 1d8a n LEU 55 N -4.48 6.11 -1.33 1.46 4.77 -0.64 -4.89 117.00 118.00 1d8a n LEU 55 Ca 0.12 -3.25 -0.17 0.00 -0.03 0.00 0.00 56.01 52.68 1d8a n LEU 55 Cb 0.40 -0.78 -0.07 0.00 -2.33 0.00 0.00 43.42 40.63 1d8a n LEU 55 CO 0.33 0.96 -0.16 0.61 -1.33 0.00 0.00 177.39 177.80 1d8a n GLY 56 N -0.85 1.59 3.62 -0.72 0.00 -0.62 -4.79 105.19 103.41 1d8a n GLY 56 Ca 0.50 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.21 1d8a n GLY 56 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1d8a s SER 57 N -2.55 4.66 -0.01 1.61 0.15 0.00 -4.97 113.70 112.60 1d8a s SER 57 Ca 0.00 -0.28 0.01 0.00 0.70 0.00 0.00 55.95 56.38 1d8a s SER 57 Cb 0.00 -1.00 0.01 0.00 -1.71 0.00 0.00 66.02 63.32 1d8a s SER 57 CO 0.00 0.19 0.71 -0.90 1.20 0.00 0.00 173.24 174.44 1d8a n ASP 58 N 0.76 0.67 -4.36 5.45 5.75 -1.26 -2.94 116.55 120.62 1d8a n ASP 58 Ca -0.13 -1.46 -0.46 0.00 -0.01 0.00 0.00 54.79 52.73 1d8a n ASP 58 Cb 0.52 -0.04 -0.03 0.00 -1.03 0.00 0.00 41.12 40.54 1d8a n ASP 58 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1d8a s ILE 59 N -0.41 5.16 -0.52 2.12 1.01 -1.26 -4.96 121.20 122.35 1d8a s ILE 59 Ca 0.01 -1.69 0.03 0.00 0.00 0.00 0.00 60.65 59.00 1d8a s ILE 59 Cb 0.01 -4.49 0.14 0.00 0.01 0.00 0.00 42.46 38.14 1d8a s ILE 59 CO 0.00 -1.09 0.31 -0.69 0.00 0.00 0.00 174.94 173.47 1d8a s VAL 60 N 1.58 1.92 0.38 2.92 1.01 -1.25 -0.99 120.40 125.97 1d8a s VAL 60 Ca 0.15 -3.14 -0.00 0.00 0.00 0.00 0.00 61.98 58.99 1d8a s VAL 60 Cb -0.18 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.85 1d8a s VAL 60 CO -0.02 -0.93 0.60 -0.76 0.00 0.00 0.00 175.10 173.99 1d8a s LEU 61 N -0.24 3.93 0.03 3.92 1.43 0.66 -4.91 118.68 123.50 1d8a s LEU 61 Ca 0.21 0.52 -0.03 0.00 -1.03 0.00 0.00 54.13 53.80 1d8a s LEU 61 Cb -0.18 -3.40 -0.04 0.00 0.03 0.00 0.00 46.19 42.61 1d8a s LEU 61 CO -0.05 -0.37 0.22 -1.58 0.23 0.00 0.00 176.35 174.80 1d8a s GLN 62 N -4.40 3.48 -0.30 1.70 0.74 -1.26 -0.88 119.66 118.73 1d8a s GLN 62 Ca 0.42 -0.30 -0.12 0.00 0.05 0.00 0.00 55.36 55.40 1d8a s GLN 62 Cb -0.10 -3.05 0.13 0.00 1.10 0.00 0.00 33.01 31.09 1d8a s GLN 62 CO 0.38 0.63 0.74 0.00 -0.55 0.00 0.00 175.29 176.49 1d8a s ASP 64 N 2.61 5.27 0.00 0.00 3.68 -1.26 -4.07 116.67 122.90 1d8a s ASP 64 Ca -0.06 -2.25 0.00 0.00 2.13 0.00 0.00 52.55 52.37 1d8a s ASP 64 Cb -0.10 -1.84 0.00 0.00 -1.45 0.00 0.00 42.92 39.53 1d8a s ASP 64 CO -0.19 -0.50 0.62 1.33 0.13 0.00 0.00 175.17 176.56 1d8a n VAL 65 N 4.30 0.75 1.02 1.11 0.24 -1.26 -0.80 118.33 123.70 1d8a n VAL 65 Ca 0.00 0.27 0.11 0.00 -2.04 0.00 0.00 64.34 62.68 1d8a n VAL 65 Cb 0.40 -1.27 0.55 0.00 -1.47 0.00 0.00 33.84 32.05 1d8a n VAL 65 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1d8a n ALA 66 N -1.12 2.13 -3.17 2.33 0.00 -1.26 -4.70 120.51 114.71 1d8a n ALA 66 Ca 0.00 -0.10 -0.15 0.00 0.00 0.00 0.00 53.44 53.19 1d8a n ALA 66 Cb 0.08 -1.36 -0.15 0.00 0.00 0.00 0.00 19.45 18.02 1d8a n ALA 66 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1d8a s GLU 67 N -2.62 0.27 0.36 0.00 2.02 0.02 -5.02 118.70 113.74 1d8a s GLU 67 Ca 0.20 -0.04 0.18 0.00 0.02 0.00 0.00 54.97 55.33 1d8a s GLU 67 Cb 0.15 -0.34 0.62 0.00 0.10 0.00 0.00 34.13 34.66 1d8a s GLU 67 CO 0.34 -0.01 1.71 -0.44 0.02 0.00 0.00 175.26 176.88 1d8a h ASP 68 N 6.55 0.00 0.28 -0.19 3.32 -1.85 -2.77 116.42 121.76 1d8a h ASP 68 Ca -0.33 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.55 1d8a h ASP 68 Cb 1.17 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.72 1d8a h ASP 68 CO 0.49 0.39 -0.70 0.00 -1.72 0.00 0.00 179.24 177.71 1d8a h ALA 69 N 1.61 0.65 -0.05 3.45 0.00 -1.95 -2.29 119.26 120.68 1d8a h ALA 69 Ca -0.00 -0.59 -0.14 0.00 0.00 0.00 0.00 54.91 54.18 1d8a h ALA 69 Cb 0.94 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1d8a h ALA 69 CO 0.05 0.76 -0.59 1.03 0.00 0.00 0.00 179.25 180.50 1d8a h SER 70 N 0.25 0.18 0.02 0.00 0.87 -1.79 -2.54 113.55 110.53 1d8a h SER 70 Ca -0.02 -0.10 -0.20 0.00 -1.23 0.00 0.00 61.79 60.24 1d8a h SER 70 Cb 1.26 -0.05 0.02 0.00 -0.44 0.00 0.00 62.40 63.18 1d8a h SER 70 CO 0.12 0.72 -0.80 0.40 -0.53 0.00 0.00 176.83 176.75 1d8a h ILE 71 N 0.12 1.38 -0.31 2.23 2.04 -1.42 -2.85 117.51 118.70 1d8a h ILE 71 Ca -0.00 -2.18 -0.04 0.00 1.00 0.00 0.00 64.86 63.63 1d8a h ILE 71 Cb 1.07 2.58 -0.01 0.00 -0.74 0.00 0.00 36.82 39.71 1d8a h ILE 71 CO 0.09 0.65 0.04 0.44 0.00 0.00 0.00 178.15 179.36 1d8a h ASP 72 N 0.06 0.51 -0.80 1.72 3.32 -1.45 -2.42 116.42 117.37 1d8a h ASP 72 Ca -0.10 -0.27 -0.02 0.00 0.02 0.00 0.00 57.03 56.66 1d8a h ASP 72 Cb 1.49 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 40.87 1d8a h ASP 72 CO 0.16 0.66 0.44 0.74 -1.72 0.00 0.00 179.24 179.51 1d8a h THR 73 N 0.35 1.24 -0.00 0.35 2.02 -1.56 0.41 112.91 115.72 1d8a h THR 73 Ca 0.09 -0.59 -0.00 0.00 0.77 0.00 0.00 66.41 66.69 1d8a h THR 73 Cb 0.37 0.15 -0.00 0.00 -1.74 0.00 0.00 68.15 66.93 1d8a h THR 73 CO 0.01 0.26 0.00 -0.03 0.37 0.00 0.00 175.52 176.13 1d8a h MET 74 N 1.12 0.01 0.00 6.66 1.85 -1.38 0.27 114.93 123.46 1d8a h MET 74 Ca 0.28 -0.00 -0.05 0.00 -0.61 0.00 0.00 59.70 59.33 1d8a h MET 74 Cb 0.03 -0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.05 1d8a h MET 74 CO -0.05 0.27 -0.22 0.74 -0.40 0.00 0.00 176.91 177.25 1d8a h PHE 75 N -0.26 0.00 -0.19 1.39 0.04 -1.29 0.14 116.94 116.77 1d8a h PHE 75 Ca 0.00 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.63 1d8a h PHE 75 Cb 0.27 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.41 1d8a h PHE 75 CO 0.02 0.22 -0.46 0.00 -0.60 0.00 0.00 178.31 177.49 1d8a h ALA 76 N 1.78 0.85 -0.08 2.45 0.00 -0.60 -0.85 119.26 122.82 1d8a h ALA 76 Ca -0.00 -0.46 -0.21 0.00 0.00 0.00 0.00 54.91 54.24 1d8a h ALA 76 Cb 0.51 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1d8a h ALA 76 CO 0.03 0.65 -0.80 0.93 0.00 0.00 0.00 179.25 180.06 1d8a h GLU 77 N 0.39 0.53 -0.25 0.00 4.39 0.54 -3.28 114.58 116.90 1d8a h GLU 77 Ca 0.03 -0.46 -0.06 0.00 0.34 0.00 0.00 59.36 59.20 1d8a h GLU 77 Cb 0.95 0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.70 1d8a h GLU 77 CO 0.08 1.09 -0.07 1.25 -1.16 0.00 0.00 179.01 180.20 1d8a h LEU 78 N 0.35 0.51 -1.95 1.33 5.85 -0.60 -2.79 115.31 118.01 1d8a h LEU 78 Ca -0.05 -0.37 0.09 0.00 0.84 0.00 0.00 57.88 58.38 1d8a h LEU 78 Cb 1.41 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.29 1d8a h LEU 78 CO 0.15 0.76 0.43 1.23 -0.34 0.00 0.00 178.44 180.67 1d8a h GLY 79 N 0.24 0.00 0.77 3.75 0.00 -1.21 0.55 103.07 107.17 1d8a h GLY 79 Ca 0.06 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.45 1d8a h GLY 79 CO 0.03 0.00 0.59 0.50 0.00 0.00 0.00 176.54 177.66 1d8a h LYS 80 N 0.00 1.07 0.00 4.80 1.57 -1.55 -2.87 116.57 119.58 1d8a h LYS 80 Ca 0.14 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.81 1d8a h LYS 80 Cb 0.99 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 33.05 1d8a h LYS 80 CO -0.00 0.70 -1.44 1.33 -0.57 0.00 0.00 179.45 179.47 1d8a n VAL 81 N -4.55 0.18 -3.20 0.50 0.24 0.16 -4.77 118.33 106.91 1d8a n VAL 81 Ca 0.13 -0.24 -0.26 0.00 -2.04 0.00 0.00 64.34 61.93 1d8a n VAL 81 Cb 0.15 -0.07 -0.06 0.00 -1.47 0.00 0.00 33.84 32.40 1d8a n VAL 81 CO 0.00 0.00 0.00 0.79 -2.14 0.00 0.00 176.83 175.48 1d8a n TRP 82 N -1.97 3.02 0.08 6.34 7.02 0.17 -4.90 117.44 127.20 1d8a n TRP 82 Ca -0.05 -4.00 0.19 0.00 -1.02 0.00 0.00 57.50 52.61 1d8a n TRP 82 Cb 0.40 -0.50 0.54 0.00 -2.42 0.00 0.00 31.31 29.34 1d8a n TRP 82 CO 0.00 0.00 0.00 -1.35 -2.02 0.00 0.00 177.69 174.32 1d8a h PRO 83 N 3.60 0.00 -2.88 -0.99 0.11 -1.70 -3.38 132.00 126.76 1d8a h PRO 83 Ca 0.15 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 66.13 1d8a h PRO 83 Cb 0.66 0.00 -0.24 0.00 0.11 0.00 0.00 31.00 31.52 1d8a h PRO 83 CO 0.76 0.00 -0.30 0.15 -0.21 0.00 0.00 178.00 178.40 1d8a s LYS 84 N -4.36 0.44 0.28 1.05 -0.14 -1.26 -4.75 119.74 111.00 1d8a s LYS 84 Ca -0.03 0.44 -0.04 0.00 -1.36 0.00 0.00 55.97 54.99 1d8a s LYS 84 Cb 0.11 0.21 -0.01 0.00 -1.68 0.00 0.00 37.83 36.46 1d8a s LYS 84 CO 0.38 -0.06 0.38 -0.59 -0.76 0.00 0.00 175.35 174.70 1d8a s PHE 85 N 0.07 0.98 -0.46 3.18 -0.12 -0.62 -4.96 117.98 116.05 1d8a s PHE 85 Ca -0.01 -1.20 0.04 0.00 -0.05 0.00 0.00 56.93 55.70 1d8a s PHE 85 Cb -0.03 -0.19 0.55 0.00 -0.63 0.00 0.00 43.02 42.73 1d8a s PHE 85 CO 0.01 -0.96 1.78 -0.25 -0.05 0.00 0.00 175.22 175.75 1d8a n ASP 86 N -0.89 4.62 0.00 1.98 9.92 0.07 -1.51 116.55 130.74 1d8a n ASP 86 Ca 0.01 -3.72 0.00 0.00 -0.53 0.00 0.00 54.79 50.55 1d8a n ASP 86 Cb 0.63 -0.78 0.00 0.00 -0.64 0.00 0.00 41.12 40.32 1d8a n ASP 86 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1d8a n GLY 87 N -1.04 -0.58 3.37 0.44 0.00 -1.25 -2.24 105.19 103.88 1d8a n GLY 87 Ca 0.53 -2.26 -0.14 0.00 0.00 0.00 0.00 46.02 44.15 1d8a n GLY 87 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1d8a s PHE 88 N -0.64 -0.38 -0.39 1.61 -0.71 -1.20 -2.14 117.98 114.13 1d8a s PHE 88 Ca 0.00 0.48 -0.13 0.00 -1.04 0.00 0.00 56.93 56.24 1d8a s PHE 88 Cb 0.00 0.28 0.02 0.00 -1.21 0.00 0.00 43.02 42.10 1d8a s PHE 88 CO 0.00 -0.57 0.26 0.08 -1.34 0.00 0.00 175.22 173.65 1d8a s VAL 89 N -2.03 5.03 -0.56 -2.49 1.01 -0.06 -2.17 120.40 119.11 1d8a s VAL 89 Ca -0.08 -0.68 -0.24 0.00 0.00 0.00 0.00 61.98 60.98 1d8a s VAL 89 Cb -0.01 -3.78 0.04 0.00 0.00 0.00 0.00 36.38 32.63 1d8a s VAL 89 CO 0.01 -0.25 0.97 -2.28 0.00 0.00 0.00 175.10 173.55 1d8a s HIS 90 N 1.64 2.76 -0.50 5.22 2.46 0.24 -2.59 115.29 124.53 1d8a s HIS 90 Ca 0.04 -0.01 0.07 0.00 0.47 0.00 0.00 55.06 55.63 1d8a s HIS 90 Cb -0.19 -4.13 0.37 0.00 -0.13 0.00 0.00 32.58 28.50 1d8a s HIS 90 CO 0.09 -1.40 0.97 0.45 -2.47 0.00 0.00 174.74 172.38 1d8a n SER 91 N 7.58 3.92 -4.22 9.88 2.88 -1.26 -2.98 113.62 129.42 1d8a n SER 91 Ca 0.02 -3.55 -0.24 0.00 -1.33 0.00 0.00 58.87 53.76 1d8a n SER 91 Cb 0.47 -0.54 -0.14 0.00 -0.75 0.00 0.00 64.21 63.26 1d8a n SER 91 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1d8a s ILE 92 N -4.44 1.52 -0.28 2.46 1.09 -1.26 -4.17 121.20 116.12 1d8a s ILE 92 Ca 0.46 -1.13 -0.24 0.00 -1.10 0.00 0.00 60.65 58.65 1d8a s ILE 92 Cb 0.33 -1.33 0.10 0.00 -1.06 0.00 0.00 42.46 40.50 1d8a s ILE 92 CO -0.14 0.17 0.90 -0.83 -0.10 0.00 0.00 174.94 174.95 1d8a s GLY 93 N -1.12 -0.30 0.02 6.18 0.00 -1.26 -4.70 107.32 106.13 1d8a s GLY 93 Ca 0.06 2.48 -0.28 0.00 0.00 0.00 0.00 44.72 46.97 1d8a s GLY 93 CO 0.02 1.89 0.67 -0.12 0.00 0.00 0.00 173.10 175.56 1d8a s PHE 94 N 0.45 -0.59 -0.29 1.90 5.36 -1.26 -4.97 117.98 118.58 1d8a s PHE 94 Ca 0.00 0.80 -0.24 0.00 -0.96 0.00 0.00 56.93 56.54 1d8a s PHE 94 Cb -0.05 0.47 0.14 0.00 -0.34 0.00 0.00 43.02 43.24 1d8a s PHE 94 CO -0.05 -0.68 1.12 0.00 -1.46 0.00 0.00 175.22 174.15 1d8a s ALA 95 N -2.12 -2.08 0.24 11.12 0.00 -1.26 -3.90 121.76 123.75 1d8a s ALA 95 Ca -0.06 1.88 -0.30 0.00 0.00 0.00 0.00 51.96 53.48 1d8a s ALA 95 Cb -0.00 -1.56 -0.15 0.00 0.00 0.00 0.00 23.12 21.41 1d8a s ALA 95 CO 0.01 -0.22 1.10 -2.30 0.00 0.00 0.00 175.76 174.35 1d8a n PRO 96 N 2.29 1.34 -0.21 0.00 -0.02 -1.26 -4.86 135.00 132.27 1d8a n PRO 96 Ca -0.13 0.47 0.01 0.00 -2.02 0.00 0.00 63.50 61.83 1d8a n PRO 96 Cb 0.56 -1.91 0.09 0.00 -0.02 0.00 0.00 33.50 32.22 1d8a n PRO 96 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1d8a h GLY 97 N 2.71 0.59 -0.21 -1.23 0.00 -2.00 -0.66 103.07 102.28 1d8a h GLY 97 Ca -0.41 0.13 0.28 0.00 0.00 0.00 0.00 47.33 47.33 1d8a h GLY 97 CO 0.66 -0.22 0.83 1.29 0.00 0.00 0.00 176.54 179.09 1d8a h ASP 98 N 0.07 0.00 0.26 0.19 3.04 -1.97 -0.50 116.42 117.51 1d8a h ASP 98 Ca 0.32 0.00 -0.12 0.00 -3.24 0.00 0.00 57.03 53.99 1d8a h ASP 98 Cb 0.52 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.80 1d8a h ASP 98 CO -0.58 0.00 -0.46 1.56 -2.04 0.00 0.00 179.24 177.72 1d8a h GLN 99 N 0.00 0.25 -1.27 4.15 1.08 -1.39 -3.30 115.11 114.62 1d8a h GLN 99 Ca 0.46 -0.13 -0.42 0.00 -1.45 0.00 0.00 58.65 57.11 1d8a h GLN 99 Cb 2.12 0.00 -0.19 0.00 -0.05 0.00 0.00 27.48 29.36 1d8a h GLN 99 CO -0.00 0.66 0.55 1.28 -0.95 0.00 0.00 178.83 180.37 1d8a n LEU 100 N -3.98 6.61 -3.55 1.46 7.99 -0.19 -4.59 117.00 120.75 1d8a n LEU 100 Ca -0.02 -3.49 -0.12 0.00 -0.01 0.00 0.00 56.01 52.37 1d8a n LEU 100 Cb 0.52 -0.97 -0.11 0.00 -0.11 0.00 0.00 43.42 42.75 1d8a n LEU 100 CO 0.43 1.22 -0.09 -0.62 -1.51 0.00 0.00 177.39 176.81 1d8a s ASP 101 N -0.51 0.37 0.00 -1.43 2.15 -1.25 -4.22 116.67 111.78 1d8a s ASP 101 Ca 0.42 0.44 0.00 0.00 0.43 0.00 0.00 52.55 53.84 1d8a s ASP 101 Cb 0.33 0.90 0.00 0.00 -0.30 0.00 0.00 42.92 43.85 1d8a s ASP 101 CO 0.01 -0.27 0.00 0.61 -0.17 0.00 0.00 175.17 175.35 1d8a n GLY 102 N 5.36 -2.20 2.42 2.66 0.00 -1.26 -4.82 105.19 107.35 1d8a n GLY 102 Ca -0.06 -1.56 -0.43 0.00 0.00 0.00 0.00 46.02 43.97 1d8a n GLY 102 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1d8a n ASP 103 N 0.37 0.50 0.07 1.61 2.03 -1.26 -4.65 116.55 115.22 1d8a n ASP 103 Ca 0.00 0.78 -0.13 0.00 0.52 0.00 0.00 54.79 55.96 1d8a n ASP 103 Cb 0.00 -0.59 -0.08 0.00 -0.72 0.00 0.00 41.12 39.73 1d8a n ASP 103 CO 0.00 0.00 0.00 0.22 -1.92 0.00 0.00 177.20 175.50 1d8a h TYR 104 N 2.82 -0.10 -0.59 -0.67 5.03 -1.93 0.27 116.97 121.80 1d8a h TYR 104 Ca -0.31 -0.00 -0.02 0.00 2.58 0.00 0.00 58.73 60.98 1d8a h TYR 104 Cb 0.92 0.03 -0.03 0.00 1.55 0.00 0.00 36.73 39.21 1d8a h TYR 104 CO 0.41 0.01 0.28 0.28 -1.32 0.00 0.00 178.16 177.82 1d8a h VAL 105 N -0.19 1.19 0.00 1.81 2.07 -1.95 0.13 116.25 119.32 1d8a h VAL 105 Ca -0.01 -0.55 -0.19 0.00 0.82 0.00 0.00 66.70 66.78 1d8a h VAL 105 Cb 0.16 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 1d8a h VAL 105 CO 0.02 0.23 -0.88 0.78 0.02 0.00 0.00 177.57 177.73 1d8a h ASN 106 N 0.83 0.00 0.37 0.57 2.35 -1.88 -3.34 115.58 114.47 1d8a h ASN 106 Ca 0.21 0.00 -0.32 0.00 -0.55 0.00 0.00 56.30 55.63 1d8a h ASN 106 Cb 0.09 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.47 1d8a h ASN 106 CO -0.03 0.88 -1.53 0.00 -1.65 0.00 0.00 177.43 175.10 1d8a h ALA 107 N 1.12 0.11 -2.98 -0.83 0.00 0.02 -3.48 119.26 113.21 1d8a h ALA 107 Ca -0.01 -1.02 -0.55 0.00 0.00 0.00 0.00 54.91 53.33 1d8a h ALA 107 Cb 1.62 0.26 0.15 0.00 0.00 0.00 0.00 17.79 19.82 1d8a h ALA 107 CO 0.11 0.97 0.49 0.54 0.00 0.00 0.00 179.25 181.37 1d8a s VAL 108 N -2.61 2.14 0.04 0.00 0.11 0.41 -4.69 120.40 115.80 1d8a s VAL 108 Ca -0.10 0.08 -0.16 0.00 -2.93 0.00 0.00 61.98 58.88 1d8a s VAL 108 Cb 0.06 -2.96 0.03 0.00 -1.53 0.00 0.00 36.38 31.98 1d8a s VAL 108 CO 0.88 -0.02 0.36 0.42 -3.33 0.00 0.00 175.10 173.40 1d8a s THR 109 N -1.53 0.07 0.24 5.04 -4.23 -1.26 -5.00 115.64 108.97 1d8a s THR 109 Ca 0.80 -0.57 -0.04 0.00 -1.18 0.00 0.00 61.69 60.71 1d8a s THR 109 Cb -0.35 -0.93 0.21 0.00 1.34 0.00 0.00 72.50 72.77 1d8a s THR 109 CO 0.40 -0.31 1.78 -0.09 -0.54 0.00 0.00 174.62 175.86 1d8a h ARG 110 N 3.15 0.63 -0.17 3.99 2.43 -1.98 0.37 114.38 122.81 1d8a h ARG 110 Ca -0.31 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 58.79 1d8a h ARG 110 Cb 1.20 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.60 1d8a h ARG 110 CO 0.44 0.42 -0.00 1.49 -1.51 0.00 0.00 179.97 180.81 1d8a h GLU 111 N 0.65 0.31 0.14 0.20 4.57 -1.98 -0.95 114.58 117.51 1d8a h GLU 111 Ca 0.40 -0.10 -0.01 0.00 -1.18 0.00 0.00 59.36 58.47 1d8a h GLU 111 Cb 0.47 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.03 1d8a h GLU 111 CO -0.30 0.53 -0.07 0.78 -1.18 0.00 0.00 179.01 178.77 1d8a h GLY 112 N 0.05 -0.19 0.21 1.92 0.00 -1.81 -0.57 103.07 102.67 1d8a h GLY 112 Ca 0.05 0.07 0.15 0.00 0.00 0.00 0.00 47.33 47.60 1d8a h GLY 112 CO 0.01 -0.07 0.46 -2.75 0.00 0.00 0.00 176.54 174.19 1d8a h PHE 113 N -0.32 0.81 0.29 5.60 3.57 -0.28 -0.54 116.94 126.07 1d8a h PHE 113 Ca -0.02 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 1d8a h PHE 113 Cb 0.25 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.77 1d8a h PHE 113 CO -0.03 0.19 -0.14 -0.22 -2.23 0.00 0.00 178.31 175.88 1d8a h LYS 114 N 0.64 -0.38 -0.41 1.11 3.64 -0.76 -2.34 116.57 118.08 1d8a h LYS 114 Ca 0.48 0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.87 1d8a h LYS 114 Cb 0.69 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.58 1d8a h LYS 114 CO -0.37 -0.17 0.18 0.82 -2.27 0.00 0.00 179.45 177.65 1d8a h ILE 115 N -0.52 1.18 -0.26 2.00 2.04 -0.54 0.00 117.51 121.41 1d8a h ILE 115 Ca -0.04 -0.54 0.04 0.00 1.00 0.00 0.00 64.86 65.32 1d8a h ILE 115 Cb 0.39 0.78 -0.04 0.00 -0.74 0.00 0.00 36.82 37.21 1d8a h ILE 115 CO 0.07 0.20 0.02 0.00 0.00 0.00 0.00 178.15 178.44 1d8a h ALA 116 N 1.03 0.25 -0.17 1.87 0.00 -1.14 -0.55 119.26 120.55 1d8a h ALA 116 Ca 0.14 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 1d8a h ALA 116 Cb 0.15 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1d8a h ALA 116 CO -0.02 -0.40 -0.31 0.45 0.00 0.00 0.00 179.25 178.98 1d8a h HIS 117 N 0.11 0.37 0.30 0.00 3.86 -1.26 -1.02 115.15 117.52 1d8a h HIS 117 Ca 0.12 -0.08 -0.01 0.00 -1.16 0.00 0.00 60.37 59.24 1d8a h HIS 117 Cb 0.15 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 28.53 1d8a h HIS 117 CO -0.19 0.61 -0.15 0.22 0.86 0.00 0.00 177.93 179.29 1d8a h ASP 118 N 0.29 -0.35 -0.15 2.45 -0.00 -0.43 -1.03 116.42 117.21 1d8a h ASP 118 Ca 0.04 -0.18 -0.15 0.00 -0.00 0.00 0.00 57.03 56.74 1d8a h ASP 118 Cb 0.70 0.09 -0.01 0.00 -0.00 0.00 0.00 39.33 40.11 1d8a h ASP 118 CO 0.05 0.12 -0.45 0.40 -0.00 0.00 0.00 179.24 179.37 1d8a h ILE 119 N -0.95 1.29 0.18 2.25 1.08 -1.19 -2.54 117.51 117.62 1d8a h ILE 119 Ca -0.04 -1.63 -0.35 0.00 -0.39 0.00 0.00 64.86 62.44 1d8a h ILE 119 Cb 0.50 1.56 0.00 0.00 -3.07 0.00 0.00 36.82 35.81 1d8a h ILE 119 CO 0.07 0.52 -1.80 0.28 -0.69 0.00 0.00 178.15 176.54 1d8a h SER 120 N 0.56 0.58 0.00 1.72 0.02 -1.31 -3.39 113.55 111.74 1d8a h SER 120 Ca 0.04 -0.93 -0.20 0.00 -0.84 0.00 0.00 61.79 59.86 1d8a h SER 120 Cb 0.99 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 63.31 1d8a h SER 120 CO 0.09 1.80 -1.62 -0.24 -1.14 0.00 0.00 176.83 175.72 1d8a n SER 121 N -3.57 1.85 -0.25 3.07 2.88 -0.58 -4.68 113.62 112.34 1d8a n SER 121 Ca -0.26 0.31 -0.03 0.00 -1.33 0.00 0.00 58.87 57.57 1d8a n SER 121 Cb 1.07 -0.73 0.08 0.00 -0.75 0.00 0.00 64.21 63.88 1d8a n SER 121 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 1d8a h TYR 122 N -0.92 0.80 -1.06 0.66 3.20 -1.16 -2.96 116.97 115.53 1d8a h TYR 122 Ca -0.30 0.02 0.28 0.00 3.14 0.00 0.00 58.73 61.88 1d8a h TYR 122 Cb 1.22 -0.26 -0.09 0.00 1.54 0.00 0.00 36.73 39.14 1d8a h TYR 122 CO -0.25 0.44 0.70 0.66 -1.64 0.00 0.00 178.16 178.07 1d8a h SER 123 N 0.83 0.36 0.59 -2.11 4.64 -1.65 -0.95 113.55 115.25 1d8a h SER 123 Ca 0.29 0.07 -0.02 0.00 -0.47 0.00 0.00 61.79 61.66 1d8a h SER 123 Cb 0.06 0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.14 1d8a h SER 123 CO -0.12 0.06 -0.48 0.15 -0.87 0.00 0.00 176.83 175.56 1d8a h PHE 124 N 0.31 -1.32 -0.44 4.77 3.57 -1.79 -0.89 116.94 121.14 1d8a h PHE 124 Ca 0.59 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 62.02 1d8a h PHE 124 Cb 1.65 0.50 -0.02 0.00 2.79 0.00 0.00 35.95 40.87 1d8a h PHE 124 CO -0.00 -0.68 -0.03 -0.24 -2.23 0.00 0.00 178.31 175.13 1d8a h VAL 125 N -1.05 1.24 -0.41 1.41 3.04 -1.60 -2.56 116.25 116.33 1d8a h VAL 125 Ca -0.07 -1.01 0.09 0.00 -1.01 0.00 0.00 66.70 64.69 1d8a h VAL 125 Cb 0.89 0.93 -0.09 0.00 -2.01 0.00 0.00 31.29 31.01 1d8a h VAL 125 CO -0.01 0.35 -0.18 0.00 -1.01 0.00 0.00 177.57 176.72 1d8a h ALA 126 N 1.28 0.13 -0.32 3.17 0.00 -0.87 0.54 119.26 123.19 1d8a h ALA 126 Ca 0.13 0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.15 1d8a h ALA 126 Cb 0.46 0.45 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1d8a h ALA 126 CO 0.02 -0.54 0.02 0.52 0.00 0.00 0.00 179.25 179.27 1d8a h MET 127 N -0.10 0.49 0.09 0.00 2.07 -0.88 -2.42 114.93 114.17 1d8a h MET 127 Ca 0.20 -0.09 -0.00 0.00 -2.07 0.00 0.00 59.70 57.73 1d8a h MET 127 Cb 0.41 -0.08 0.00 0.00 -1.87 0.00 0.00 31.60 30.06 1d8a h MET 127 CO -0.47 0.50 -0.04 0.00 1.07 0.00 0.00 176.91 177.96 1d8a h ALA 128 N 1.55 -0.13 -0.75 6.32 0.00 -0.44 -2.55 119.26 123.27 1d8a h ALA 128 Ca 0.10 -0.18 0.17 0.00 0.00 0.00 0.00 54.91 55.00 1d8a h ALA 128 Cb 0.28 0.05 -0.12 0.00 0.00 0.00 0.00 17.79 18.00 1d8a h ALA 128 CO 0.01 -0.39 0.12 0.87 0.00 0.00 0.00 179.25 179.86 1d8a h LYS 129 N -0.49 0.20 -0.24 0.00 1.57 0.15 0.85 116.57 118.61 1d8a h LYS 129 Ca -0.01 -0.01 -0.11 0.00 -1.87 0.00 0.00 60.65 58.64 1d8a h LYS 129 Cb 0.41 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 1d8a h LYS 129 CO 0.02 0.13 -0.33 0.00 -0.57 0.00 0.00 179.45 178.70 1d8a h ALA 130 N 1.65 0.98 -0.30 3.86 0.00 -1.37 -3.27 119.26 120.82 1d8a h ALA 130 Ca 0.42 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1d8a h ALA 130 Cb 0.74 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1d8a h ALA 130 CO -0.57 0.60 0.00 0.00 0.00 0.00 0.00 179.25 179.28 1d8a n ARG 132 N 1.01 -0.31 0.28 0.00 0.63 0.23 -0.28 116.66 118.22 1d8a n ARG 132 Ca 0.14 1.50 0.16 0.00 -0.92 0.00 0.00 57.85 58.74 1d8a n ARG 132 Cb 0.48 -2.22 0.82 0.00 0.45 0.00 0.00 32.46 31.98 1d8a n ARG 132 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1d8a h SER 133 N 0.00 0.00 1.16 6.15 4.64 -1.86 -2.99 113.55 120.65 1d8a h SER 133 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 1d8a h SER 133 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 1d8a h SER 133 CO -0.96 0.06 -0.17 0.23 -0.87 0.00 0.00 176.83 175.12 1d8a n MET 134 N -3.31 0.18 -2.81 4.77 2.81 0.62 -4.88 117.12 114.49 1d8a n MET 134 Ca -0.01 0.12 -0.41 0.00 -1.81 0.00 0.00 57.70 55.58 1d8a n MET 134 Cb 0.23 -1.68 -0.03 0.00 -0.71 0.00 0.00 33.22 31.02 1d8a n MET 134 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1d8a s LEU 135 N -3.98 4.30 0.71 4.03 1.43 -1.13 -1.59 118.68 122.46 1d8a s LEU 135 Ca 0.11 1.45 -0.12 0.00 -1.03 0.00 0.00 54.13 54.53 1d8a s LEU 135 Cb 0.15 -3.40 0.02 0.00 0.03 0.00 0.00 46.19 42.99 1d8a s LEU 135 CO 0.61 -0.29 1.08 0.20 0.23 0.00 0.00 176.35 178.19 1d8a s ASN 136 N 1.00 5.01 0.52 2.29 0.01 -0.57 -4.93 114.94 118.27 1d8a s ASN 136 Ca 0.46 1.79 -0.22 0.00 -0.71 0.00 0.00 52.86 54.18 1d8a s ASN 136 Cb -0.19 -2.52 -0.06 0.00 0.41 0.00 0.00 41.25 38.89 1d8a s ASN 136 CO 0.21 -1.69 1.28 -2.84 -1.51 0.00 0.00 177.10 172.55 1d8a s PRO 137 N -4.71 3.34 0.00 -0.60 0.02 -1.26 -1.84 135.00 129.94 1d8a s PRO 137 Ca 0.61 2.04 0.00 0.00 0.02 0.00 0.00 61.00 63.68 1d8a s PRO 137 Cb -0.17 -2.28 0.00 0.00 0.02 0.00 0.00 34.50 32.07 1d8a s PRO 137 CO 0.51 -0.97 0.00 0.41 -0.33 0.00 0.00 177.00 176.62 1d8a n GLY 138 N 0.61 0.75 3.74 0.52 0.00 -0.67 -5.04 105.19 105.10 1d8a n GLY 138 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 1d8a n GLY 138 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1d8a s SER 139 N -2.47 4.07 -0.10 1.61 0.01 -0.77 -4.90 113.70 111.16 1d8a s SER 139 Ca 0.00 1.76 -0.04 0.00 1.31 0.00 0.00 55.95 58.98 1d8a s SER 139 Cb 0.00 -2.43 0.05 0.00 0.21 0.00 0.00 66.02 63.85 1d8a s SER 139 CO 0.00 -2.30 0.20 0.00 0.41 0.00 0.00 173.24 171.55 1d8a s ALA 140 N -2.89 -0.39 0.05 1.44 0.00 -0.95 -1.88 121.76 117.14 1d8a s ALA 140 Ca 0.62 0.80 0.00 0.00 0.00 0.00 0.00 51.96 53.38 1d8a s ALA 140 Cb -0.18 -0.73 -0.04 0.00 0.00 0.00 0.00 23.12 22.17 1d8a s ALA 140 CO 0.57 -0.38 0.17 -0.51 0.00 0.00 0.00 175.76 175.60 1d8a s LEU 141 N 1.77 4.23 -0.17 0.00 1.43 0.14 -3.21 118.68 122.87 1d8a s LEU 141 Ca -0.04 0.22 -0.11 0.00 -1.03 0.00 0.00 54.13 53.17 1d8a s LEU 141 Cb -0.11 -2.78 0.05 0.00 0.03 0.00 0.00 46.19 43.38 1d8a s LEU 141 CO -0.07 0.19 0.42 -0.22 0.23 0.00 0.00 176.35 176.89 1d8a s LEU 142 N -2.36 0.07 0.25 1.79 2.96 -0.92 -2.69 118.68 117.79 1d8a s LEU 142 Ca 0.32 0.88 0.05 0.00 -0.22 0.00 0.00 54.13 55.16 1d8a s LEU 142 Cb -0.13 1.39 -0.05 0.00 0.50 0.00 0.00 46.19 47.89 1d8a s LEU 142 CO 0.25 -0.18 -0.04 0.28 -1.32 0.00 0.00 176.35 175.34 1d8a s THR 143 N 1.00 1.39 -0.08 3.68 -1.32 -1.07 0.82 115.64 120.05 1d8a s THR 143 Ca -0.06 -2.09 -0.01 0.00 -1.21 0.00 0.00 61.69 58.32 1d8a s THR 143 Cb -0.06 -2.38 -0.03 0.00 -1.51 0.00 0.00 72.50 68.52 1d8a s THR 143 CO -0.08 -0.33 -0.04 -0.76 -2.21 0.00 0.00 174.62 171.20 1d8a s LEU 144 N -3.38 3.35 0.00 9.08 2.01 -1.16 -1.49 118.68 127.09 1d8a s LEU 144 Ca 0.28 0.04 0.00 0.00 0.01 0.00 0.00 54.13 54.46 1d8a s LEU 144 Cb 0.04 -1.75 0.00 0.00 0.01 0.00 0.00 46.19 44.49 1d8a s LEU 144 CO 0.10 0.35 0.00 -0.24 1.01 0.00 0.00 176.35 177.57 1d8a n SER 145 N 2.33 0.98 -3.49 2.29 2.88 -0.60 -4.92 113.62 113.09 1d8a n SER 145 Ca -0.18 -0.11 -0.13 0.00 -1.33 0.00 0.00 58.87 57.12 1d8a n SER 145 Cb 0.53 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.95 1d8a n SER 145 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 1d8a s TYR 146 N -0.18 -0.52 0.48 0.66 5.04 -1.26 -3.16 117.35 118.40 1d8a s TYR 146 Ca 0.00 0.61 0.28 0.00 -2.44 0.00 0.00 57.07 55.52 1d8a s TYR 146 Cb 0.00 0.49 1.34 0.00 0.35 0.00 0.00 41.96 44.14 1d8a s TYR 146 CO 0.00 -0.64 1.80 1.25 -1.34 0.00 0.00 175.55 176.62 1d8a h LEU 147 N 2.41 0.21 -1.60 6.97 5.85 -1.91 0.17 115.31 127.41 1d8a h LEU 147 Ca -0.27 0.04 0.24 0.00 0.84 0.00 0.00 57.88 58.73 1d8a h LEU 147 Cb 1.22 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 42.22 1d8a h LEU 147 CO 0.36 0.04 0.87 1.23 -0.34 0.00 0.00 178.44 180.59 1d8a h GLY 148 N 0.18 0.00 1.57 3.75 0.00 -1.93 1.21 103.07 107.85 1d8a h GLY 148 Ca 0.57 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.76 1d8a h GLY 148 CO -0.14 0.00 -0.49 0.00 0.00 0.00 0.00 176.54 175.91 1d8a h ALA 149 N 1.06 0.83 0.04 3.60 0.00 -0.81 -3.33 119.26 120.66 1d8a h ALA 149 Ca 0.40 -0.48 -0.32 0.00 0.00 0.00 0.00 54.91 54.52 1d8a h ALA 149 Cb 2.13 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 19.79 1d8a h ALA 149 CO -0.00 0.67 -1.80 0.39 0.00 0.00 0.00 179.25 178.50 1d8a n GLU 150 N -3.98 0.68 -4.02 0.00 1.02 0.41 -4.62 120.64 110.13 1d8a n GLU 150 Ca -0.02 0.29 -0.11 0.00 -0.02 0.00 0.00 57.16 57.29 1d8a n GLU 150 Cb 0.56 -1.77 -0.12 0.00 -0.02 0.00 0.00 31.44 30.09 1d8a n GLU 150 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1d8a s ARG 151 N -2.59 0.39 -0.37 3.49 0.52 -0.60 -5.09 118.95 114.70 1d8a s ARG 151 Ca -0.11 -0.61 -0.28 0.00 -0.52 0.00 0.00 55.73 54.21 1d8a s ARG 151 Cb 0.07 -0.10 -0.03 0.00 0.52 0.00 0.00 34.95 35.41 1d8a s ARG 151 CO 0.81 0.01 1.93 0.00 0.02 0.00 0.00 175.30 178.07 1d8a s ALA 152 N -1.26 2.62 -0.20 2.13 0.00 -1.26 -4.31 121.76 119.49 1d8a s ALA 152 Ca -0.11 0.18 -0.06 0.00 0.00 0.00 0.00 51.96 51.97 1d8a s ALA 152 Cb -0.09 -4.10 -0.03 0.00 0.00 0.00 0.00 23.12 18.90 1d8a s ALA 152 CO -0.00 -3.02 0.03 0.42 0.00 0.00 0.00 175.76 173.19 1d8a s ILE 153 N 7.95 4.30 0.33 0.00 1.01 -1.26 -5.07 121.20 128.46 1d8a s ILE 153 Ca 0.83 -0.20 -0.26 0.00 0.00 0.00 0.00 60.65 61.02 1d8a s ILE 153 Cb -0.22 -2.95 -0.14 0.00 0.01 0.00 0.00 42.46 39.16 1d8a s ILE 153 CO 0.31 0.43 0.74 -2.65 0.00 0.00 0.00 174.94 173.77 1d8a n PRO 154 N 4.06 0.79 0.00 2.79 -0.02 -1.26 -1.91 135.00 139.44 1d8a n PRO 154 Ca -0.17 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 1d8a n PRO 154 Cb 0.52 -1.56 0.00 0.00 -0.02 0.00 0.00 33.50 32.44 1d8a n PRO 154 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1d8a n ASN 155 N 1.36 0.00 -0.05 2.55 3.02 -1.26 -4.62 115.26 116.26 1d8a n ASN 155 Ca 0.12 0.00 0.02 0.00 -0.03 0.00 0.00 54.58 54.69 1d8a n ASN 155 Cb 0.34 -0.03 0.35 0.00 -0.61 0.00 0.00 39.78 39.83 1d8a n ASN 155 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1d8a h TYR 156 N 0.00 0.62 0.00 3.10 -0.00 -1.69 -3.38 116.97 115.62 1d8a h TYR 156 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 1d8a h TYR 156 Cb 0.00 -0.20 0.00 0.00 -0.00 0.00 0.00 36.73 36.53 1d8a h TYR 156 CO 0.00 0.44 0.00 0.09 -0.00 0.00 0.00 178.16 178.69 1d8a n ASN 157 N -4.41 0.00 -0.34 -2.11 3.02 -1.23 -2.32 115.26 107.87 1d8a n ASN 157 Ca 0.04 0.00 0.24 0.00 -0.03 0.00 0.00 54.58 54.83 1d8a n ASN 157 Cb 0.10 0.00 0.48 0.00 -0.61 0.00 0.00 39.78 39.75 1d8a n ASN 157 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 1d8a h VAL 158 N 0.00 0.31 -0.83 2.41 3.04 -1.87 0.20 116.25 119.50 1d8a h VAL 158 Ca 0.00 -0.11 0.21 0.00 -1.01 0.00 0.00 66.70 65.79 1d8a h VAL 158 Cb 0.00 -0.05 -0.05 0.00 -2.01 0.00 0.00 31.29 29.18 1d8a h VAL 158 CO 0.00 0.06 0.58 0.24 -1.01 0.00 0.00 177.57 177.44 1d8a h MET 159 N 0.33 0.18 -0.08 4.17 2.86 -1.84 0.10 114.93 120.65 1d8a h MET 159 Ca 0.73 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 58.36 1d8a h MET 159 Cb 1.67 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 33.29 1d8a h MET 159 CO -0.59 0.12 0.05 0.78 1.06 0.00 0.00 176.91 178.33 1d8a h GLY 160 N 0.18 0.12 1.00 8.32 0.00 -0.73 0.79 103.07 112.76 1d8a h GLY 160 Ca 0.41 -0.05 -0.00 0.00 0.00 0.00 0.00 47.33 47.70 1d8a h GLY 160 CO -0.08 0.05 0.44 1.41 0.00 0.00 0.00 176.54 178.36 1d8a h LEU 161 N 0.10 0.84 -0.85 3.11 4.07 -0.94 -0.06 115.31 121.59 1d8a h LEU 161 Ca 0.03 -0.05 -0.01 0.00 0.08 0.00 0.00 57.88 57.93 1d8a h LEU 161 Cb 0.00 -0.21 -0.04 0.00 1.08 0.00 0.00 40.66 41.49 1d8a h LEU 161 CO -0.01 0.64 0.47 0.00 -1.08 0.00 0.00 178.44 178.47 1d8a h ALA 162 N 1.24 1.09 -0.30 1.53 0.00 -0.92 -0.70 119.26 121.19 1d8a h ALA 162 Ca 0.26 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 1d8a h ALA 162 Cb -0.06 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.38 1d8a h ALA 162 CO -0.05 0.59 -0.29 0.87 0.00 0.00 0.00 179.25 180.37 1d8a h LYS 163 N 1.18 0.61 -0.13 0.00 1.79 -0.28 0.77 116.57 120.51 1d8a h LYS 163 Ca 0.30 -0.26 -0.00 0.00 -2.18 0.00 0.00 60.65 58.51 1d8a h LYS 163 Cb 0.01 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.64 1d8a h LYS 163 CO -0.05 0.83 0.07 0.00 -1.08 0.00 0.00 179.45 179.23 1d8a h ALA 164 N 1.16 0.17 -0.50 3.86 0.00 -0.42 0.21 119.26 123.73 1d8a h ALA 164 Ca 0.07 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1d8a h ALA 164 Cb 0.76 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1d8a h ALA 164 CO 0.06 -0.30 0.32 1.03 0.00 0.00 0.00 179.25 180.36 1d8a h SER 165 N 0.12 0.58 -0.42 0.00 0.87 -0.90 -1.80 113.55 112.00 1d8a h SER 165 Ca 0.05 -0.03 0.06 0.00 -1.23 0.00 0.00 61.79 60.64 1d8a h SER 165 Cb 0.07 -0.15 -0.09 0.00 -0.44 0.00 0.00 62.40 61.79 1d8a h SER 165 CO -0.01 0.43 -0.49 0.25 -0.53 0.00 0.00 176.83 176.49 1d8a h LEU 166 N 0.67 -1.64 -1.47 2.23 6.46 -0.35 -0.20 115.31 121.02 1d8a h LEU 166 Ca 0.18 0.23 -0.03 0.00 -0.12 0.00 0.00 57.88 58.14 1d8a h LEU 166 Cb -0.06 0.69 -0.01 0.00 -0.73 0.00 0.00 40.66 40.55 1d8a h LEU 166 CO -0.04 -0.38 0.03 -0.33 -0.62 0.00 0.00 178.44 177.09 1d8a h GLU 167 N -0.35 0.37 -0.34 1.25 5.08 -0.19 -0.68 114.58 119.71 1d8a h GLU 167 Ca 0.11 -0.06 -0.13 0.00 -1.00 0.00 0.00 59.36 58.29 1d8a h GLU 167 Cb 0.59 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1d8a h GLU 167 CO -0.60 0.38 -0.29 0.00 -1.00 0.00 0.00 179.01 177.50 1d8a h ALA 168 N 1.67 0.84 -0.47 3.43 0.00 -0.91 -2.77 119.26 121.04 1d8a h ALA 168 Ca 0.09 -0.40 0.01 0.00 0.00 0.00 0.00 54.91 54.61 1d8a h ALA 168 Cb 0.21 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1d8a h ALA 168 CO 0.00 0.64 0.29 -0.97 0.00 0.00 0.00 179.25 179.21 1d8a h ASN 169 N 0.62 0.49 -0.55 0.00 -1.24 0.02 -0.04 115.58 114.87 1d8a h ASN 169 Ca 0.07 -0.00 0.09 0.00 0.71 0.00 0.00 56.30 57.17 1d8a h ASN 169 Cb 0.81 -0.11 -0.07 0.00 0.73 0.00 0.00 38.32 39.68 1d8a h ASN 169 CO 0.07 0.35 0.18 0.58 -1.29 0.00 0.00 177.43 177.32 1d8a h VAL 170 N 0.59 0.76 -0.33 2.57 2.07 -0.90 0.60 116.25 121.62 1d8a h VAL 170 Ca 0.18 -0.12 -0.06 0.00 0.82 0.00 0.00 66.70 67.53 1d8a h VAL 170 Cb -0.02 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 1d8a h VAL 170 CO -0.07 0.06 -0.01 0.03 0.02 0.00 0.00 177.57 177.60 1d8a h ARG 171 N 0.34 0.59 -0.21 1.57 3.08 -1.15 0.23 114.38 118.83 1d8a h ARG 171 Ca 0.28 -0.20 -0.12 0.00 0.07 0.00 0.00 59.98 60.01 1d8a h ARG 171 Cb 0.34 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 1d8a h ARG 171 CO -0.30 0.73 -0.39 1.88 -1.07 0.00 0.00 179.97 180.81 1d8a h TYR 172 N 0.40 0.56 -0.27 3.04 -1.99 -0.52 -1.63 116.97 116.56 1d8a h TYR 172 Ca 0.09 -0.16 -0.13 0.00 2.00 0.00 0.00 58.73 60.53 1d8a h TYR 172 Cb 0.47 -0.12 -0.00 0.00 2.00 0.00 0.00 36.73 39.07 1d8a h TYR 172 CO 0.04 0.80 -0.35 0.52 -0.00 0.00 0.00 178.16 179.17 1d8a h MET 173 N 0.40 0.71 -0.93 4.88 2.86 0.29 -2.66 114.93 120.48 1d8a h MET 173 Ca 0.04 -0.40 -0.00 0.00 -2.06 0.00 0.00 59.70 57.27 1d8a h MET 173 Cb 0.86 0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.51 1d8a h MET 173 CO 0.07 1.02 0.57 0.00 1.06 0.00 0.00 176.91 179.63 1d8a h ALA 174 N 0.67 1.18 -0.01 6.32 0.00 -0.36 -2.09 119.26 124.98 1d8a h ALA 174 Ca 0.03 -0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.70 1d8a h ALA 174 Cb 0.93 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1d8a h ALA 174 CO 0.08 0.62 -0.66 -0.97 0.00 0.00 0.00 179.25 178.33 1d8a h ASN 175 N 1.27 0.06 0.25 0.00 -1.24 -1.28 -2.36 115.58 112.28 1d8a h ASN 175 Ca 0.33 -0.04 -0.32 0.00 0.71 0.00 0.00 56.30 56.98 1d8a h ASN 175 Cb -0.07 -0.02 0.03 0.00 0.73 0.00 0.00 38.32 39.00 1d8a h ASN 175 CO -0.06 0.70 -1.40 0.00 -1.29 0.00 0.00 177.43 175.38 1d8a h ALA 176 N 1.30 -0.10 0.00 1.57 0.00 -1.22 -3.36 119.26 117.44 1d8a h ALA 176 Ca -0.01 -0.84 0.00 0.00 0.00 0.00 0.00 54.91 54.07 1d8a h ALA 176 Cb 1.16 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1d8a h ALA 176 CO 0.09 0.71 -0.72 -1.33 0.00 0.00 0.00 179.25 178.00 1d8a n MET 177 N -3.73 0.01 -0.12 0.00 2.81 -0.81 -4.50 117.12 110.78 1d8a n MET 177 Ca -0.15 -0.00 -0.06 0.00 -1.81 0.00 0.00 57.70 55.68 1d8a n MET 177 Cb 1.07 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 32.08 1d8a n MET 177 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 1d8a h GLY 178 N 4.99 -0.04 1.02 3.03 0.00 -1.40 -1.18 103.07 109.49 1d8a h GLY 178 Ca 0.00 0.32 0.13 0.00 0.00 0.00 0.00 47.33 47.78 1d8a h GLY 178 CO 0.00 -0.21 0.37 -2.55 0.00 0.00 0.00 176.54 174.15 1d8a h PRO 179 N -0.18 0.15 0.00 4.80 0.11 -1.83 0.43 132.00 135.47 1d8a h PRO 179 Ca 0.19 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.30 1d8a h PRO 179 Cb 0.49 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.56 1d8a h PRO 179 CO -0.52 0.10 -0.01 0.39 -0.21 0.00 0.00 178.00 177.75 1d8a n GLU 180 N -4.43 0.11 -0.03 1.05 1.02 -0.67 -4.90 120.64 112.80 1d8a n GLU 180 Ca 0.09 0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.32 1d8a n GLU 180 Cb 0.50 -1.63 0.00 0.00 -0.02 0.00 0.00 31.44 30.29 1d8a n GLU 180 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1d8a n GLY 181 N 1.42 1.15 3.48 0.62 0.00 0.15 -4.65 105.19 107.36 1d8a n GLY 181 Ca 0.06 -0.03 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 1d8a n GLY 181 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1d8a s VAL 182 N -2.00 4.75 0.13 1.61 1.01 -0.54 -1.67 120.40 123.69 1d8a s VAL 182 Ca 0.00 -0.26 -0.11 0.00 0.00 0.00 0.00 61.98 61.61 1d8a s VAL 182 Cb 0.00 -3.36 -0.06 0.00 0.00 0.00 0.00 36.38 32.95 1d8a s VAL 182 CO 0.00 0.13 0.48 -0.13 0.00 0.00 0.00 175.10 175.58 1d8a s ARG 183 N 1.65 3.85 -0.03 2.72 0.52 -0.79 -3.27 118.95 123.60 1d8a s ARG 183 Ca 0.05 0.30 -0.00 0.00 -0.52 0.00 0.00 55.73 55.56 1d8a s ARG 183 Cb -0.17 -2.92 0.03 0.00 0.52 0.00 0.00 34.95 32.41 1d8a s ARG 183 CO 0.07 0.49 0.03 0.08 0.02 0.00 0.00 175.30 175.99 1d8a s VAL 184 N -1.49 -0.01 0.34 3.52 1.01 -1.26 -0.69 120.40 121.83 1d8a s VAL 184 Ca 0.37 0.24 0.03 0.00 0.00 0.00 0.00 61.98 62.61 1d8a s VAL 184 Cb -0.14 -0.15 -0.01 0.00 0.00 0.00 0.00 36.38 36.08 1d8a s VAL 184 CO 0.19 0.13 0.39 0.20 0.00 0.00 0.00 175.10 176.01 1d8a s ASN 185 N 1.35 1.34 0.00 3.32 0.01 -1.09 0.27 114.94 120.14 1d8a s ASN 185 Ca -0.05 -1.64 -0.10 0.00 -0.71 0.00 0.00 52.86 50.36 1d8a s ASN 185 Cb -0.13 0.62 0.01 0.00 0.41 0.00 0.00 41.25 42.16 1d8a s ASN 185 CO -0.03 -1.20 0.20 0.00 -1.51 0.00 0.00 177.10 174.56 1d8a s ALA 186 N -3.18 -0.46 -0.29 0.60 0.00 0.88 -2.60 121.76 116.70 1d8a s ALA 186 Ca 0.36 -0.03 -0.03 0.00 0.00 0.00 0.00 51.96 52.26 1d8a s ALA 186 Cb 0.01 0.13 0.04 0.00 0.00 0.00 0.00 23.12 23.30 1d8a s ALA 186 CO 0.24 -0.25 0.00 0.42 0.00 0.00 0.00 175.76 176.18 1d8a s ILE 187 N -1.56 3.13 -0.70 0.00 1.01 -0.55 -1.40 121.20 121.13 1d8a s ILE 187 Ca -0.13 -1.21 -0.24 0.00 0.00 0.00 0.00 60.65 59.07 1d8a s ILE 187 Cb -0.06 -2.73 0.06 0.00 0.01 0.00 0.00 42.46 39.74 1d8a s ILE 187 CO 0.02 -0.03 1.08 -0.55 0.00 0.00 0.00 174.94 175.46 1d8a s SER 188 N 1.31 6.18 0.23 3.58 0.15 -0.68 -1.56 113.70 122.91 1d8a s SER 188 Ca -0.03 -0.84 -0.08 0.00 0.70 0.00 0.00 55.95 55.70 1d8a s SER 188 Cb -0.19 -2.47 -0.06 0.00 -1.71 0.00 0.00 66.02 61.59 1d8a s SER 188 CO -0.01 -1.57 0.53 0.00 1.20 0.00 0.00 173.24 173.38 1d8a s ALA 189 N 4.62 3.61 0.68 5.45 0.00 -1.19 -1.03 121.76 133.91 1d8a s ALA 189 Ca 0.27 -0.38 -0.11 0.00 0.00 0.00 0.00 51.96 51.74 1d8a s ALA 189 Cb -0.13 -2.36 0.00 0.00 0.00 0.00 0.00 23.12 20.63 1d8a s ALA 189 CO 0.11 0.47 1.06 0.20 0.00 0.00 0.00 175.76 177.60 1d8a s GLY 190 N -2.56 1.69 0.67 0.00 0.00 -1.12 -4.63 107.32 101.37 1d8a s GLY 190 Ca 0.46 0.08 -0.17 0.00 0.00 0.00 0.00 44.72 45.09 1d8a s GLY 190 CO 0.24 0.39 1.17 -1.05 0.00 0.00 0.00 173.10 173.84 1d8a n PRO 191 N -3.05 0.88 -3.71 2.90 -0.02 -1.26 -4.85 135.00 125.88 1d8a n PRO 191 Ca 0.07 0.36 -0.11 0.00 -2.02 0.00 0.00 63.50 61.80 1d8a n PRO 191 Cb 0.54 -2.40 -0.11 0.00 -0.02 0.00 0.00 33.50 31.50 1d8a n PRO 191 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1d8a s ILE 192 N -1.55 -0.03 -0.96 4.25 1.01 -1.26 -4.56 121.20 118.10 1d8a s ILE 192 Ca 0.79 0.10 -0.26 0.00 0.00 0.00 0.00 60.65 61.28 1d8a s ILE 192 Cb -0.37 -0.54 -0.18 0.00 0.01 0.00 0.00 42.46 41.38 1d8a s ILE 192 CO 0.44 0.04 2.23 0.00 0.00 0.00 0.00 174.94 177.65 1d8a s ARG 193 N 1.25 1.41 0.39 2.79 1.70 -1.26 -4.74 118.95 120.49 1d8a s ARG 193 Ca -0.09 -0.07 0.08 0.00 -0.47 0.00 0.00 55.73 55.18 1d8a s ARG 193 Cb -0.08 -4.91 -0.02 0.00 -0.57 0.00 0.00 34.95 29.36 1d8a s ARG 193 CO -0.10 -4.99 0.34 0.95 -1.08 0.00 0.00 175.30 170.42 1d8a s THR 194 N 15.81 2.89 0.27 4.99 -4.23 -1.26 -4.97 115.64 129.14 1d8a s THR 194 Ca 0.85 -1.37 -0.00 0.00 -1.18 0.00 0.00 61.69 59.99 1d8a s THR 194 Cb -0.08 -3.05 0.25 0.00 1.34 0.00 0.00 72.50 70.97 1d8a s THR 194 CO 0.13 -0.05 1.79 -0.07 -0.54 0.00 0.00 174.62 175.88 1d8a h LEU 195 N 1.11 0.67 0.05 4.79 3.38 -1.90 -1.52 115.31 121.89 1d8a h LEU 195 Ca -0.42 0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.62 1d8a h LEU 195 Cb 1.26 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1d8a h LEU 195 CO 0.58 0.31 -0.02 0.00 0.09 0.00 0.00 178.44 179.40 1d8a h ALA 196 N 1.55 -0.06 -1.40 1.53 0.00 -1.95 -1.90 119.26 117.03 1d8a h ALA 196 Ca 0.48 -0.06 0.41 0.00 0.00 0.00 0.00 54.91 55.74 1d8a h ALA 196 Cb 0.61 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.35 1d8a h ALA 196 CO -0.33 -0.49 0.98 0.00 0.00 0.00 0.00 179.25 179.42 1d8a h ALA 197 N 0.80 3.18 -0.74 0.00 0.00 -1.57 0.17 119.26 121.09 1d8a h ALA 197 Ca -0.01 -0.02 0.16 0.00 0.00 0.00 0.00 54.91 55.05 1d8a h ALA 197 Cb 0.13 0.11 -0.11 0.00 0.00 0.00 0.00 17.79 17.92 1d8a h ALA 197 CO 0.01 -1.62 0.18 1.03 0.00 0.00 0.00 179.25 178.85 1d8a h SER 198 N 0.05 0.01 0.37 0.00 0.87 -1.06 0.64 113.55 114.43 1d8a h SER 198 Ca 0.70 0.15 -0.02 0.00 -1.23 0.00 0.00 61.79 61.39 1d8a h SER 198 Cb 2.62 0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 64.78 1d8a h SER 198 CO -0.09 -0.04 -0.08 1.23 -0.53 0.00 0.00 176.83 177.32 1d8a h GLY 199 N 0.27 0.00 -4.83 5.77 0.00 -0.79 -3.43 103.07 100.05 1d8a h GLY 199 Ca 0.42 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 47.19 1d8a h GLY 199 CO -0.52 0.00 0.56 -0.42 0.00 0.00 0.00 176.54 176.16 1d8a s ILE 200 N -4.15 4.79 0.36 2.60 1.01 0.22 -4.96 121.20 121.06 1d8a s ILE 200 Ca -0.03 1.99 -0.28 0.00 0.00 0.00 0.00 60.65 62.32 1d8a s ILE 200 Cb 0.13 -4.29 -0.11 0.00 0.01 0.00 0.00 42.46 38.20 1d8a s ILE 200 CO 0.55 -0.00 1.49 -0.75 0.00 0.00 0.00 174.94 176.22 1d8a s LYS 201 N 2.11 4.14 -0.90 2.79 2.20 -1.26 -2.79 119.74 126.03 1d8a s LYS 201 Ca 0.47 2.54 -0.02 0.00 -0.36 0.00 0.00 55.97 58.59 1d8a s LYS 201 Cb -0.18 -2.99 0.02 0.00 -1.51 0.00 0.00 37.83 33.17 1d8a s LYS 201 CO 0.16 -0.52 0.11 -0.25 -0.36 0.00 0.00 175.35 174.49 1d8a n ASP 202 N 0.80 -3.26 -0.04 1.43 10.43 -1.26 -4.81 116.55 119.84 1d8a n ASP 202 Ca 0.02 0.12 -0.11 0.00 2.57 0.00 0.00 54.79 57.39 1d8a n ASP 202 Cb 0.39 -2.78 -0.06 0.00 1.84 0.00 0.00 41.12 40.51 1d8a n ASP 202 CO 0.00 0.00 0.00 0.15 -1.07 0.00 0.00 177.20 176.28 1d8a h PHE 203 N -0.21 0.25 -0.90 1.24 3.04 -1.83 1.02 116.94 119.54 1d8a h PHE 203 Ca -0.27 -0.03 0.20 0.00 3.98 0.00 0.00 57.97 61.86 1d8a h PHE 203 Cb 1.19 -0.07 -0.07 0.00 2.56 0.00 0.00 35.95 39.56 1d8a h PHE 203 CO 0.73 0.37 0.60 0.00 -2.02 0.00 0.00 178.31 177.99 1d8a h ARG 204 N 0.06 0.39 0.05 1.11 2.47 -1.87 0.86 114.38 117.44 1d8a h ARG 204 Ca 0.05 -0.02 -0.23 0.00 -1.26 0.00 0.00 59.98 58.51 1d8a h ARG 204 Cb 0.24 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.47 1d8a h ARG 204 CO -0.00 0.26 -1.05 0.87 0.56 0.00 0.00 179.97 180.60 1d8a h LYS 205 N 0.40 0.21 -0.67 0.04 1.57 -1.63 -3.02 116.57 113.47 1d8a h LYS 205 Ca 0.47 -0.30 -0.04 0.00 -1.87 0.00 0.00 60.65 58.91 1d8a h LYS 205 Cb 1.18 0.10 -0.03 0.00 0.08 0.00 0.00 32.23 33.56 1d8a h LYS 205 CO -0.18 1.09 0.28 1.98 -0.57 0.00 0.00 179.45 182.05 1d8a h MET 206 N 0.09 1.00 -0.58 3.15 4.05 0.74 -2.45 114.93 120.93 1d8a h MET 206 Ca -0.08 -0.17 -0.07 0.00 -0.28 0.00 0.00 59.70 59.10 1d8a h MET 206 Cb 1.75 -0.17 -0.02 0.00 -0.80 0.00 0.00 31.60 32.36 1d8a h MET 206 CO 0.16 0.82 0.10 -0.07 0.23 0.00 0.00 176.91 178.15 1d8a h LEU 207 N 0.95 0.88 -0.77 3.39 3.38 0.07 -3.01 115.31 120.20 1d8a h LEU 207 Ca 0.23 -0.19 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 1d8a h LEU 207 Cb 0.19 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1d8a h LEU 207 CO -0.02 0.88 0.02 0.00 0.09 0.00 0.00 178.44 179.41 1d8a h ALA 208 N 1.22 0.97 -0.36 1.53 0.00 -1.33 -2.68 119.26 118.61 1d8a h ALA 208 Ca 0.18 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 1d8a h ALA 208 Cb 0.38 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1d8a h ALA 208 CO 0.01 0.63 -0.08 1.25 0.00 0.00 0.00 179.25 181.06 1d8a h HIS 209 N 0.88 0.78 -0.33 0.00 -0.00 -1.34 -3.17 115.15 111.97 1d8a h HIS 209 Ca 0.17 -0.17 -0.10 0.00 -0.00 0.00 0.00 60.37 60.27 1d8a h HIS 209 Cb 0.49 -0.19 -0.02 0.00 -0.00 0.00 0.00 27.41 27.70 1d8a h HIS 209 CO 0.03 0.84 -0.19 0.00 -0.00 0.00 0.00 177.93 178.61 1d8a h GLU 211 N 0.55 0.15 0.02 0.00 4.81 -1.45 0.67 114.58 119.32 1d8a h GLU 211 Ca 0.09 -0.01 -0.20 0.00 -0.13 0.00 0.00 59.36 59.10 1d8a h GLU 211 Cb 0.64 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.97 1d8a h GLU 211 CO 0.05 0.10 -0.94 0.00 -0.73 0.00 0.00 179.01 177.48 1d8a h ALA 212 N 1.05 0.45 -0.01 2.92 0.00 -1.53 -3.19 119.26 118.95 1d8a h ALA 212 Ca 0.05 -0.80 0.00 0.00 0.00 0.00 0.00 54.91 54.15 1d8a h ALA 212 Cb -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1d8a h ALA 212 CO -0.02 1.05 -0.61 1.55 0.00 0.00 0.00 179.25 181.22 1d8a n VAL 213 N -3.53 0.00 -2.48 0.00 3.14 -1.02 -4.91 118.33 109.54 1d8a n VAL 213 Ca -0.02 -0.15 -0.42 0.00 -2.96 0.00 0.00 64.34 60.79 1d8a n VAL 213 Cb 0.87 1.01 -0.03 0.00 -1.06 0.00 0.00 33.84 34.62 1d8a n VAL 213 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 1d8a s THR 214 N -2.67 4.16 0.22 1.55 2.01 0.23 -4.90 115.64 116.24 1d8a s THR 214 Ca 0.16 1.57 -0.20 0.00 0.31 0.00 0.00 61.69 63.53 1d8a s THR 214 Cb 0.18 -4.00 0.18 0.00 0.01 0.00 0.00 72.50 68.86 1d8a s THR 214 CO 0.66 0.13 1.55 -0.65 -0.69 0.00 0.00 174.62 175.63 1d8a h PRO 215 N 6.68 -0.01 -0.65 4.92 0.11 -1.77 0.98 132.00 142.25 1d8a h PRO 215 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1d8a h PRO 215 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1d8a h PRO 215 CO 0.79 -0.01 0.00 0.44 -0.21 0.00 0.00 178.00 179.02 1d8a n ILE 216 N -5.44 0.10 -3.24 4.15 -5.35 -1.19 -4.89 119.36 103.50 1d8a n ILE 216 Ca 0.08 -0.06 -0.20 0.00 -0.27 0.00 0.00 62.75 62.30 1d8a n ILE 216 Cb 0.38 -0.31 -0.01 0.00 -1.74 0.00 0.00 39.64 37.95 1d8a n ILE 216 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1d8a n ARG 217 N -0.12 -2.89 -3.56 6.28 5.12 0.34 -4.92 116.66 116.90 1d8a n ARG 217 Ca 0.01 0.38 -0.12 0.00 -1.93 0.00 0.00 57.85 56.20 1d8a n ARG 217 Cb 0.20 -5.03 -0.05 0.00 -1.16 0.00 0.00 32.46 26.43 1d8a n ARG 217 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 1d8a s ARG 218 N -5.86 0.70 0.44 5.56 1.70 -1.21 -4.83 118.95 115.45 1d8a s ARG 218 Ca 0.33 0.11 -0.11 0.00 -0.47 0.00 0.00 55.73 55.60 1d8a s ARG 218 Cb -0.18 0.33 -0.06 0.00 -0.57 0.00 0.00 34.95 34.47 1d8a s ARG 218 CO 0.41 -0.23 0.82 0.95 -1.08 0.00 0.00 175.30 176.17 1d8a s THR 219 N -1.36 4.75 0.75 4.99 -4.23 -1.26 -4.85 115.64 114.43 1d8a s THR 219 Ca -0.03 0.69 -0.11 0.00 -1.18 0.00 0.00 61.69 61.07 1d8a s THR 219 Cb -0.00 -3.75 0.04 0.00 1.34 0.00 0.00 72.50 70.13 1d8a s THR 219 CO 0.02 -0.61 1.08 0.68 -0.54 0.00 0.00 174.62 175.24 1d8a s VAL 220 N -2.49 3.54 0.33 2.29 -7.23 -1.26 -5.07 120.40 110.51 1d8a s VAL 220 Ca 0.52 0.50 0.09 0.00 -1.81 0.00 0.00 61.98 61.28 1d8a s VAL 220 Cb -0.10 -3.17 -0.05 0.00 0.56 0.00 0.00 36.38 33.61 1d8a s VAL 220 CO 0.34 -0.66 0.02 0.42 -0.31 0.00 0.00 175.10 174.91 1d8a s THR 221 N -3.04 2.75 0.49 5.32 -4.23 -1.26 -4.81 115.64 110.87 1d8a s THR 221 Ca 0.60 -1.94 0.39 0.00 -1.18 0.00 0.00 61.69 59.56 1d8a s THR 221 Cb -0.15 -2.81 0.41 0.00 1.34 0.00 0.00 72.50 71.29 1d8a s THR 221 CO 0.55 -0.22 2.24 0.16 -0.54 0.00 0.00 174.62 176.81 1d8a h ILE 222 N 1.79 0.09 -0.26 2.99 3.07 -1.93 0.25 117.51 123.51 1d8a h ILE 222 Ca -0.43 -0.19 -0.08 0.00 1.55 0.00 0.00 64.86 65.71 1d8a h ILE 222 Cb 1.25 1.17 -0.01 0.00 -0.27 0.00 0.00 36.82 38.96 1d8a h ILE 222 CO 0.66 0.01 -0.15 -0.33 -1.05 0.00 0.00 178.15 177.29 1d8a h GLU 223 N 0.00 0.56 0.26 0.16 3.07 -1.94 0.76 114.58 117.46 1d8a h GLU 223 Ca -0.00 -0.25 0.00 0.00 -0.50 0.00 0.00 59.36 58.61 1d8a h GLU 223 Cb 0.17 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.05 1d8a h GLU 223 CO 0.00 0.82 -0.24 -0.44 -1.40 0.00 0.00 179.01 177.75 1d8a h ASP 224 N 0.29 -0.64 -0.79 1.42 3.45 -0.94 0.50 116.42 119.70 1d8a h ASP 224 Ca 0.06 0.06 -0.03 0.00 0.43 0.00 0.00 57.03 57.54 1d8a h ASP 224 Cb 0.66 0.22 -0.04 0.00 -0.56 0.00 0.00 39.33 39.61 1d8a h ASP 224 CO 0.04 -0.36 0.37 0.58 -1.57 0.00 0.00 179.24 178.30 1d8a h VAL 225 N -0.53 1.25 -0.14 -1.35 2.07 -1.15 -2.76 116.25 113.64 1d8a h VAL 225 Ca -0.01 -0.73 0.03 0.00 0.82 0.00 0.00 66.70 66.81 1d8a h VAL 225 Cb 0.48 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 1d8a h VAL 225 CO -0.04 0.31 -0.02 1.23 0.02 0.00 0.00 177.57 179.07 1d8a h GLY 226 N 1.17 0.11 1.19 2.17 0.00 0.11 0.16 103.07 107.98 1d8a h GLY 226 Ca 0.27 0.03 -0.03 0.00 0.00 0.00 0.00 47.33 47.61 1d8a h GLY 226 CO -0.03 -0.04 0.36 3.43 0.00 0.00 0.00 176.54 180.26 1d8a h ASN 227 N 0.02 0.95 -0.34 0.19 2.35 -0.79 -1.53 115.58 116.43 1d8a h ASN 227 Ca 0.06 -0.10 -0.14 0.00 -0.55 0.00 0.00 56.30 55.57 1d8a h ASN 227 Cb 0.09 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.21 1d8a h ASN 227 CO -0.13 0.80 -0.34 0.28 -1.65 0.00 0.00 177.43 176.39 1d8a h SER 228 N 1.05 0.89 -0.38 5.81 0.02 -1.17 -2.37 113.55 117.39 1d8a h SER 228 Ca 0.26 -0.47 -0.10 0.00 -0.84 0.00 0.00 61.79 60.64 1d8a h SER 228 Cb 0.10 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.37 1d8a h SER 228 CO -0.03 1.18 -0.12 0.00 -1.14 0.00 0.00 176.83 176.71 1d8a h ALA 229 N 0.74 0.93 -0.74 3.77 0.00 -0.77 0.87 119.26 124.06 1d8a h ALA 229 Ca 0.05 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.64 1d8a h ALA 229 Cb 0.93 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 1d8a h ALA 229 CO 0.08 0.62 0.48 0.00 0.00 0.00 0.00 179.25 180.44 1d8a h ALA 230 N 1.11 0.94 0.60 0.00 0.00 -1.21 0.12 119.26 120.82 1d8a h ALA 230 Ca 0.12 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1d8a h ALA 230 Cb 0.63 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 18.12 1d8a h ALA 230 CO 0.04 0.37 -0.29 0.35 0.00 0.00 0.00 179.25 179.72 1d8a h PHE 231 N 1.00 -0.75 -0.16 0.00 3.04 -0.99 -2.30 116.94 116.79 1d8a h PHE 231 Ca 0.27 -0.02 0.05 0.00 3.98 0.00 0.00 57.97 62.25 1d8a h PHE 231 Cb -0.10 0.25 -0.01 0.00 2.56 0.00 0.00 35.95 38.65 1d8a h PHE 231 CO -0.02 -0.41 0.25 -0.07 -2.02 0.00 0.00 178.31 176.03 1d8a h LEU 232 N -1.04 0.00 -2.09 0.59 3.38 -0.66 0.22 115.31 115.71 1d8a h LEU 232 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1d8a h LEU 232 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1d8a h LEU 232 CO 0.14 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.67 1d8a s SER 234 N -1.37 4.75 0.03 0.00 1.04 0.78 -4.81 113.70 114.13 1d8a s SER 234 Ca 0.38 -0.84 0.12 0.00 0.48 0.00 0.00 55.95 56.09 1d8a s SER 234 Cb 0.21 -0.62 0.51 0.00 0.10 0.00 0.00 66.02 66.22 1d8a s SER 234 CO 0.30 -0.48 1.37 0.47 0.98 0.00 0.00 173.24 175.88 1d8a n ASP 235 N -1.31 0.06 0.22 7.02 8.00 -1.26 -2.34 116.55 126.94 1d8a n ASP 235 Ca -0.00 0.52 0.05 0.00 0.71 0.00 0.00 54.79 56.06 1d8a n ASP 235 Cb 0.62 -0.53 0.48 0.00 -0.02 0.00 0.00 41.12 41.67 1d8a n ASP 235 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1d8a h LEU 236 N 0.00 0.00 -3.80 0.64 4.07 -1.88 -2.39 115.31 111.96 1d8a h LEU 236 Ca 0.00 0.00 -0.40 0.00 0.08 0.00 0.00 57.88 57.56 1d8a h LEU 236 Cb 0.19 0.00 -0.24 0.00 1.08 0.00 0.00 40.66 41.69 1d8a h LEU 236 CO 0.00 0.21 0.42 -1.54 -1.08 0.00 0.00 178.44 176.46 1d8a n SER 237 N -4.28 3.43 0.00 -0.43 3.41 -0.99 -4.70 113.62 110.06 1d8a n SER 237 Ca -0.02 -3.64 0.00 0.00 -0.26 0.00 0.00 58.87 54.95 1d8a n SER 237 Cb 0.27 -0.78 0.03 0.00 -0.26 0.00 0.00 64.21 63.48 1d8a n SER 237 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1d8a n ALA 238 N -1.09 1.57 -0.10 7.33 0.00 -0.90 -1.01 120.51 126.32 1d8a n ALA 238 Ca 0.51 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.95 1d8a n ALA 238 Cb 1.48 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 19.91 1d8a n ALA 238 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1d8a n GLY 239 N -0.63 -1.16 3.38 0.00 0.00 -1.26 -4.98 105.19 100.54 1d8a n GLY 239 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1d8a n GLY 239 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1d8a s ILE 240 N -0.02 3.76 -0.07 -0.61 1.01 -0.18 -5.09 121.20 120.00 1d8a s ILE 240 Ca 0.00 -0.37 -0.15 0.00 0.00 0.00 0.00 60.65 60.13 1d8a s ILE 240 Cb 0.00 -2.72 0.03 0.00 0.01 0.00 0.00 42.46 39.78 1d8a s ILE 240 CO 0.00 0.41 0.36 -0.55 0.00 0.00 0.00 174.94 175.16 1d8a s SER 241 N 1.34 -0.30 -1.52 3.58 0.15 -1.26 -4.74 113.70 110.94 1d8a s SER 241 Ca 0.04 0.42 -0.05 0.00 0.70 0.00 0.00 55.95 57.07 1d8a s SER 241 Cb -0.15 0.53 0.02 0.00 -1.71 0.00 0.00 66.02 64.71 1d8a s SER 241 CO 0.00 -0.31 0.47 0.61 1.20 0.00 0.00 173.24 175.21 1d8a n GLY 242 N 1.97 -0.51 3.60 9.45 0.00 0.75 -4.95 105.19 115.49 1d8a n GLY 242 Ca -0.18 0.10 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 1d8a n GLY 242 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1d8a s GLU 243 N -5.63 2.26 -0.55 1.61 2.56 -1.24 -4.66 118.70 113.05 1d8a s GLU 243 Ca 0.26 -0.94 0.02 0.00 0.00 0.00 0.00 54.97 54.31 1d8a s GLU 243 Cb -0.12 -2.37 0.14 0.00 2.00 0.00 0.00 34.13 33.78 1d8a s GLU 243 CO 0.32 0.53 0.31 0.08 -0.56 0.00 0.00 175.26 175.94 1d8a s VAL 244 N -1.19 2.90 -0.20 3.70 1.01 -1.26 -0.08 120.40 125.28 1d8a s VAL 244 Ca 0.21 -3.24 -0.22 0.00 0.00 0.00 0.00 61.98 58.73 1d8a s VAL 244 Cb -0.11 -2.97 -0.02 0.00 0.00 0.00 0.00 36.38 33.28 1d8a s VAL 244 CO 0.13 -0.82 0.71 0.54 0.00 0.00 0.00 175.10 175.66 1d8a s VAL 245 N -0.24 4.96 -0.43 2.92 0.11 -0.49 -4.80 120.40 122.43 1d8a s VAL 245 Ca 0.17 1.36 -0.29 0.00 -2.93 0.00 0.00 61.98 60.29 1d8a s VAL 245 Cb -0.24 -4.02 0.02 0.00 -1.53 0.00 0.00 36.38 30.61 1d8a s VAL 245 CO -0.01 0.06 1.20 -1.00 -3.33 0.00 0.00 175.10 172.01 1d8a s HIS 246 N 2.14 2.77 -0.85 1.54 3.76 -1.26 -1.69 115.29 121.69 1d8a s HIS 246 Ca 0.32 0.79 0.01 0.00 -0.15 0.00 0.00 55.06 56.03 1d8a s HIS 246 Cb -0.16 -4.26 0.30 0.00 1.11 0.00 0.00 32.58 29.57 1d8a s HIS 246 CO 0.10 -1.37 1.24 0.28 -0.85 0.00 0.00 174.74 174.14 1d8a n VAL 247 N 6.70 4.22 -1.84 -0.90 0.31 -0.19 -4.70 118.33 121.92 1d8a n VAL 247 Ca 0.13 -5.68 0.04 0.00 -0.01 0.00 0.00 64.34 58.83 1d8a n VAL 247 Cb 0.48 -1.87 0.07 0.00 -0.91 0.00 0.00 33.84 31.61 1d8a n VAL 247 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1d8a n ASP 248 N 0.66 1.09 -1.49 4.52 3.85 -1.26 -2.77 116.55 121.14 1d8a n ASP 248 Ca 0.32 -2.58 -0.16 0.00 -0.71 0.00 0.00 54.79 51.66 1d8a n ASP 248 Cb 0.35 -0.33 -0.04 0.00 -1.35 0.00 0.00 41.12 39.75 1d8a n ASP 248 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1d8a n GLY 249 N -0.40 0.75 2.19 6.12 0.00 -1.26 -2.66 105.19 109.94 1d8a n GLY 249 Ca 0.08 -0.24 -0.08 0.00 0.00 0.00 0.00 46.02 45.78 1d8a n GLY 249 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1d8a n GLY 250 N -1.02 0.11 0.15 -0.02 0.00 -1.26 -3.19 105.19 99.95 1d8a n GLY 250 Ca -0.17 -0.49 -0.10 0.00 0.00 0.00 0.00 46.02 45.25 1d8a n GLY 250 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1d8a h PHE 251 N -0.24 0.43 -0.00 1.61 3.04 -1.86 -3.14 116.94 116.77 1d8a h PHE 251 Ca -0.20 -0.04 -0.04 0.00 3.98 0.00 0.00 57.97 61.66 1d8a h PHE 251 Cb 1.14 -0.12 -0.01 0.00 2.56 0.00 0.00 35.95 39.52 1d8a h PHE 251 CO 0.21 0.47 -0.20 0.66 -2.02 0.00 0.00 178.31 177.43 1d8a h SER 252 N 0.27 0.01 -0.11 0.41 4.64 -1.93 -2.94 113.55 113.90 1d8a h SER 252 Ca 0.09 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1d8a h SER 252 Cb 0.24 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1d8a h SER 252 CO -0.00 0.21 0.00 2.30 -0.87 0.00 0.00 176.83 178.46 1d8a n ILE 253 N -4.30 0.14 -4.10 0.95 -6.64 -1.19 -4.86 119.36 99.37 1d8a n ILE 253 Ca -0.02 -0.18 -0.23 0.00 -1.77 0.00 0.00 62.75 60.55 1d8a n ILE 253 Cb 0.26 0.05 -0.06 0.00 -1.44 0.00 0.00 39.64 38.45 1d8a n ILE 253 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1d8a s ALA 254 N -1.86 3.49 -0.14 -1.28 0.00 -1.11 -5.14 121.76 115.71 1d8a s ALA 254 Ca 0.24 -1.77 -0.20 0.00 0.00 0.00 0.00 51.96 50.22 1d8a s ALA 254 Cb 0.12 -0.80 0.05 0.00 0.00 0.00 0.00 23.12 22.49 1d8a s ALA 254 CO 0.18 0.07 0.53 0.00 0.00 0.00 0.00 175.76 176.54 1d8a s ALA 255 N -2.39 -1.32 -1.15 0.00 0.00 -1.26 -4.92 121.76 110.71 1d8a s ALA 255 Ca 0.37 1.29 0.00 0.00 0.00 0.00 0.00 51.96 53.62 1d8a s ALA 255 Cb -0.03 -0.57 0.00 0.00 0.00 0.00 0.00 23.12 22.51 1d8a s ALA 255 CO 0.23 -0.28 0.00 -1.33 0.00 0.00 0.00 175.76 174.38 1d8a n MET 256 N 2.21 -2.08 0.00 0.00 2.81 -1.26 -4.70 117.12 114.10 1d8a n MET 256 Ca -0.16 0.65 0.00 0.00 -1.81 0.00 0.00 57.70 56.38 1d8a n MET 256 Cb 0.56 -5.22 0.00 0.00 -0.71 0.00 0.00 33.22 27.86 1d8a n MET 256 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1d8a n ASN 257 N -1.67 0.00 0.00 7.83 3.02 -1.26 -5.22 115.26 117.95 1d8a n ASN 257 Ca -0.15 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.40 1d8a n ASN 257 Cb 0.60 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.77 1d8a n ASN 257 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80