#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 0.00 0.20 1.61 1.16 -1.13 -2.37 117.46 116.92 1d8a n PHE 3 Ca 0.00 0.00 0.03 0.00 -1.87 0.00 0.00 57.45 55.61 1d8a n PHE 3 Cb 0.00 0.00 0.03 0.00 -1.61 0.00 0.00 39.48 37.90 1d8a n PHE 3 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 1d8a n LEU 4 N -0.65 1.50 -4.67 5.98 4.77 -0.13 -4.52 117.00 119.28 1d8a n LEU 4 Ca 0.07 -1.07 -0.46 0.00 -0.03 0.00 0.00 56.01 54.53 1d8a n LEU 4 Cb 0.03 -0.01 -0.04 0.00 -2.33 0.00 0.00 43.42 41.08 1d8a n LEU 4 CO 0.05 0.32 1.17 -1.20 -1.33 0.00 0.00 177.39 176.41 1d8a n SER 5 N 0.28 3.06 0.00 -1.43 7.64 -1.00 -1.79 113.62 120.38 1d8a n SER 5 Ca 0.03 1.09 0.00 0.00 1.01 0.00 0.00 58.87 61.00 1d8a n SER 5 Cb 0.14 -1.43 0.00 0.00 -1.01 0.00 0.00 64.21 61.92 1d8a n SER 5 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1d8a n GLY 6 N 3.26 0.68 3.35 0.23 0.00 -1.25 -4.98 105.19 106.48 1d8a n GLY 6 Ca 0.16 -0.30 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.77 3.35 -0.38 1.61 -0.14 -0.74 -5.02 119.74 117.65 1d8a s LYS 7 Ca 0.00 -0.70 -0.14 0.00 -1.36 0.00 0.00 55.97 53.77 1d8a s LYS 7 Cb 0.00 -2.62 0.01 0.00 -1.68 0.00 0.00 37.83 33.53 1d8a s LYS 7 CO 0.00 0.18 0.27 1.03 -0.76 0.00 0.00 175.35 176.07 1d8a s ARG 8 N 0.43 3.15 -0.01 1.68 0.52 -1.26 -0.52 118.95 122.94 1d8a s ARG 8 Ca -0.10 -0.89 0.07 0.00 -0.52 0.00 0.00 55.73 54.28 1d8a s ARG 8 Cb -0.16 -3.89 -0.02 0.00 0.52 0.00 0.00 34.95 31.40 1d8a s ARG 8 CO 0.05 -0.63 -0.21 0.42 0.02 0.00 0.00 175.30 174.95 1d8a s ILE 9 N 1.68 1.65 -0.14 1.52 1.01 -0.15 -0.44 121.20 126.33 1d8a s ILE 9 Ca 0.05 -0.94 -0.10 0.00 0.00 0.00 0.00 60.65 59.66 1d8a s ILE 9 Cb -0.18 -1.38 -0.05 0.00 0.01 0.00 0.00 42.46 40.86 1d8a s ILE 9 CO 0.10 0.42 0.20 -0.22 0.00 0.00 0.00 174.94 175.44 1d8a s LEU 10 N -0.60 4.31 -0.17 2.97 2.96 -1.00 -1.79 118.68 125.34 1d8a s LEU 10 Ca 0.08 0.45 0.01 0.00 -0.22 0.00 0.00 54.13 54.45 1d8a s LEU 10 Cb -0.08 -2.20 0.03 0.00 0.50 0.00 0.00 46.19 44.44 1d8a s LEU 10 CO -0.00 0.26 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.45 1d8a s VAL 11 N -0.25 1.76 0.22 1.68 1.01 -0.43 0.11 120.40 124.50 1d8a s VAL 11 Ca 0.14 -0.85 0.06 0.00 0.00 0.00 0.00 61.98 61.33 1d8a s VAL 11 Cb -0.12 -1.68 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 1d8a s VAL 11 CO 0.03 0.40 0.19 0.42 0.00 0.00 0.00 175.10 176.13 1d8a s THR 12 N 1.39 4.52 0.00 3.92 -4.23 -0.89 -2.69 115.64 117.67 1d8a s THR 12 Ca 0.03 -1.26 0.00 0.00 -1.18 0.00 0.00 61.69 59.27 1d8a s THR 12 Cb -0.14 -3.40 0.00 0.00 1.34 0.00 0.00 72.50 70.30 1d8a s THR 12 CO -0.11 -0.27 0.00 0.61 -0.54 0.00 0.00 174.62 174.32 1d8a n GLY 13 N -0.92 0.69 3.57 3.99 0.00 -1.26 -3.79 105.19 107.47 1d8a n GLY 13 Ca -0.08 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.00 3.89 -0.03 1.61 1.01 -1.26 -4.66 120.40 118.96 1d8a s VAL 14 Ca 0.00 0.73 0.07 0.00 0.00 0.00 0.00 61.98 62.79 1d8a s VAL 14 Cb 0.00 -4.71 -0.11 0.00 0.00 0.00 0.00 36.38 31.56 1d8a s VAL 14 CO 0.00 -1.44 0.12 0.00 0.00 0.00 0.00 175.10 173.78 1d8a n ALA 15 N 8.94 2.12 -3.76 5.51 0.00 -1.26 -4.75 120.51 127.31 1d8a n ALA 15 Ca 0.08 -0.29 -0.08 0.00 0.00 0.00 0.00 53.44 53.15 1d8a n ALA 15 Cb 0.49 -0.14 -0.00 0.00 0.00 0.00 0.00 19.45 19.80 1d8a n ALA 15 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1d8a s SER 16 N -3.26 -0.09 0.00 0.00 0.15 -1.26 -4.96 113.70 104.28 1d8a s SER 16 Ca -0.03 -0.90 0.20 0.00 0.70 0.00 0.00 55.95 55.92 1d8a s SER 16 Cb 0.04 0.78 0.91 0.00 -1.71 0.00 0.00 66.02 66.03 1d8a s SER 16 CO 0.32 -1.49 1.64 0.29 1.20 0.00 0.00 173.24 175.20 1d8a n LYS 17 N -0.49 0.08 0.11 5.44 5.02 -1.26 -1.88 118.16 125.18 1d8a n LYS 17 Ca -0.06 0.14 0.12 0.00 -2.02 0.00 0.00 58.31 56.49 1d8a n LYS 17 Cb 0.60 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 34.11 1d8a n LYS 17 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1d8a h LEU 18 N 0.00 0.00 -9.55 -0.35 3.38 -1.95 -3.45 115.31 103.39 1d8a h LEU 18 Ca 0.00 -0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.37 1d8a h LEU 18 Cb 0.30 0.00 0.10 0.00 0.09 0.00 0.00 40.66 41.15 1d8a h LEU 18 CO 0.00 0.00 0.36 -1.20 0.09 0.00 0.00 178.44 177.69 1d8a n SER 19 N -2.68 2.01 0.04 -0.43 7.64 -0.78 -4.61 113.62 114.80 1d8a n SER 19 Ca 0.00 1.17 0.04 0.00 1.01 0.00 0.00 58.87 61.10 1d8a n SER 19 Cb 0.55 -1.36 0.45 0.00 -1.01 0.00 0.00 64.21 62.83 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 2.47 1.10 -0.38 0.44 2.04 -1.89 -1.24 117.51 120.05 1d8a h ILE 20 Ca -0.43 -0.21 -0.05 0.00 1.00 0.00 0.00 64.86 65.16 1d8a h ILE 20 Cb 1.31 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 37.98 1d8a h ILE 20 CO 0.66 0.10 0.00 0.00 0.00 0.00 0.00 178.15 178.91 1d8a h ALA 21 N 1.76 1.30 -0.69 1.87 0.00 -1.88 -1.62 119.26 120.01 1d8a h ALA 21 Ca 0.13 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1d8a h ALA 21 Cb -0.02 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1d8a h ALA 21 CO -0.02 0.47 0.28 -0.92 0.00 0.00 0.00 179.25 179.06 1d8a h TYR 22 N 0.57 1.04 -0.57 0.00 5.03 -1.49 0.62 116.97 122.17 1d8a h TYR 22 Ca 0.12 -0.08 -0.01 0.00 2.58 0.00 0.00 58.73 61.34 1d8a h TYR 22 Cb 0.35 -0.31 -0.03 0.00 1.55 0.00 0.00 36.73 38.30 1d8a h TYR 22 CO 0.01 0.81 0.30 0.78 -1.32 0.00 0.00 178.16 178.74 1d8a h GLY 23 N 0.97 0.85 1.13 1.82 0.00 -1.25 -0.94 103.07 105.66 1d8a h GLY 23 Ca 0.23 -0.39 -0.08 0.00 0.00 0.00 0.00 47.33 47.09 1d8a h GLY 23 CO -0.02 0.38 0.07 -2.22 0.00 0.00 0.00 176.54 174.75 1d8a h ILE 24 N 0.76 1.26 0.40 2.60 2.04 -0.88 -2.60 117.51 121.09 1d8a h ILE 24 Ca 0.20 -1.05 -0.02 0.00 1.00 0.00 0.00 64.86 64.99 1d8a h ILE 24 Cb 0.06 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 36.84 1d8a h ILE 24 CO -0.03 0.39 -0.19 0.00 0.00 0.00 0.00 178.15 178.32 1d8a h ALA 25 N 1.09 -0.53 -0.46 1.87 0.00 -0.50 -1.39 119.26 119.33 1d8a h ALA 25 Ca 0.19 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 55.04 1d8a h ALA 25 Cb 0.46 0.21 -0.10 0.00 0.00 0.00 0.00 17.79 18.36 1d8a h ALA 25 CO 0.02 -0.73 -0.24 1.96 0.00 0.00 0.00 179.25 180.26 1d8a h GLN 26 N -0.68 -0.14 -0.08 0.00 4.20 -1.16 0.31 115.11 117.56 1d8a h GLN 26 Ca -0.05 0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.69 1d8a h GLN 26 Cb 0.49 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.27 1d8a h GLN 26 CO 0.09 -0.10 -0.09 0.00 -0.67 0.00 0.00 178.83 178.06 1d8a h ALA 27 N 1.09 -0.03 -0.82 3.87 0.00 -1.40 0.91 119.26 122.88 1d8a h ALA 27 Ca 0.21 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 1d8a h ALA 27 Cb 0.48 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 1d8a h ALA 27 CO -0.55 -0.56 0.38 0.52 0.00 0.00 0.00 179.25 179.04 1d8a h MET 28 N -0.12 1.19 0.22 0.00 2.86 -0.53 -0.63 114.93 117.94 1d8a h MET 28 Ca 0.06 -0.19 -0.01 0.00 -2.06 0.00 0.00 59.70 57.50 1d8a h MET 28 Cb 0.20 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 31.66 1d8a h MET 28 CO -0.15 0.93 -0.11 1.25 1.06 0.00 0.00 176.91 179.90 1d8a h HIS 29 N 1.17 -0.28 -0.98 -0.22 6.17 -0.05 -1.08 115.15 119.89 1d8a h HIS 29 Ca 0.28 -0.01 0.19 0.00 0.71 0.00 0.00 60.37 61.54 1d8a h HIS 29 Cb 0.15 0.09 -0.09 0.00 2.52 0.00 0.00 27.41 30.08 1d8a h HIS 29 CO 0.02 -0.10 0.61 -0.09 0.71 0.00 0.00 177.93 179.08 1d8a h ARG 30 N -0.40 0.67 -0.12 5.26 2.43 -0.57 0.99 114.38 122.63 1d8a h ARG 30 Ca -0.03 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1d8a h ARG 30 Cb 0.31 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 1d8a h ARG 30 CO 0.05 0.44 0.00 0.39 -1.51 0.00 0.00 179.97 179.34 1d8a n GLU 31 N -4.67 1.10 -0.45 0.20 -0.58 -0.26 -4.64 120.64 111.34 1d8a n GLU 31 Ca 0.22 -0.14 0.00 0.00 -0.42 0.00 0.00 57.16 56.82 1d8a n GLU 31 Cb 0.58 -1.07 0.00 0.00 -0.57 0.00 0.00 31.44 30.38 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 0.51 0.75 3.75 0.62 0.00 0.34 -0.96 105.19 110.21 1d8a n GLY 32 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.39 3.35 -0.08 4.61 0.00 -0.46 -3.86 121.76 122.93 1d8a s ALA 33 Ca 0.00 0.69 -0.26 0.00 0.00 0.00 0.00 51.96 52.39 1d8a s ALA 33 Cb 0.00 -3.26 -0.03 0.00 0.00 0.00 0.00 23.12 19.84 1d8a s ALA 33 CO 0.00 0.07 0.84 -1.21 0.00 0.00 0.00 175.76 175.46 1d8a s GLU 34 N -1.04 4.44 0.29 0.00 2.02 0.32 -4.48 118.70 120.25 1d8a s GLU 34 Ca 0.43 1.12 0.09 0.00 0.02 0.00 0.00 54.97 56.63 1d8a s GLU 34 Cb -0.27 -3.49 -0.04 0.00 0.10 0.00 0.00 34.13 30.42 1d8a s GLU 34 CO 0.34 -0.10 0.02 -0.51 0.02 0.00 0.00 175.26 175.02 1d8a s LEU 35 N 1.32 3.15 0.03 1.80 1.43 -1.26 -0.97 118.68 124.17 1d8a s LEU 35 Ca 0.43 -0.73 -0.00 0.00 -1.03 0.00 0.00 54.13 52.80 1d8a s LEU 35 Cb -0.18 -1.65 -0.02 0.00 0.03 0.00 0.00 46.19 44.37 1d8a s LEU 35 CO 0.20 -0.08 -0.03 0.00 0.23 0.00 0.00 176.35 176.66 1d8a s ALA 36 N -2.38 0.20 0.11 4.21 0.00 -0.74 -4.63 121.76 118.53 1d8a s ALA 36 Ca 0.33 -0.70 0.03 0.00 0.00 0.00 0.00 51.96 51.62 1d8a s ALA 36 Cb -0.05 0.17 -0.04 0.00 0.00 0.00 0.00 23.12 23.20 1d8a s ALA 36 CO 0.20 -0.19 -0.09 -0.06 0.00 0.00 0.00 175.76 175.62 1d8a s PHE 37 N -1.87 1.05 0.04 0.00 0.08 0.42 -1.31 117.98 116.38 1d8a s PHE 37 Ca -0.12 -0.75 0.03 0.00 0.12 0.00 0.00 56.93 56.20 1d8a s PHE 37 Cb -0.07 -0.57 -0.02 0.00 -0.57 0.00 0.00 43.02 41.79 1d8a s PHE 37 CO -0.02 -0.03 -0.09 0.95 -0.10 0.00 0.00 175.22 175.93 1d8a s THR 38 N -2.98 0.63 -0.03 0.64 -4.23 -1.10 -1.09 115.64 107.48 1d8a s THR 38 Ca 0.10 -1.00 0.04 0.00 -1.18 0.00 0.00 61.69 59.65 1d8a s THR 38 Cb 0.01 -0.66 -0.00 0.00 1.34 0.00 0.00 72.50 73.18 1d8a s THR 38 CO -0.01 -0.28 -0.15 -0.72 -0.54 0.00 0.00 174.62 172.92 1d8a s TYR 39 N -1.18 1.43 0.13 3.99 1.13 -0.47 -4.24 117.35 118.14 1d8a s TYR 39 Ca -0.07 -0.36 -0.25 0.00 -1.41 0.00 0.00 57.07 54.98 1d8a s TYR 39 Cb -0.09 -0.96 -0.04 0.00 -1.10 0.00 0.00 41.96 39.77 1d8a s TYR 39 CO 0.01 -0.11 1.64 0.37 -2.51 0.00 0.00 175.55 174.94 1d8a h GLN 40 N 6.15 -0.36 0.00 -3.49 4.15 -1.89 -2.08 115.11 117.58 1d8a h GLN 40 Ca -0.34 0.02 -0.08 0.00 0.77 0.00 0.00 58.65 59.03 1d8a h GLN 40 Cb 1.17 0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.92 1d8a h GLN 40 CO 0.48 -0.24 -0.08 0.27 -1.93 0.00 0.00 178.83 177.34 1d8a n ASN 41 N -5.37 -0.03 0.05 -0.69 0.23 -1.26 -4.20 115.26 103.99 1d8a n ASN 41 Ca -0.04 -1.35 -0.03 0.00 -0.53 0.00 0.00 54.58 52.63 1d8a n ASN 41 Cb 0.29 0.26 0.22 0.00 -2.08 0.00 0.00 39.78 38.47 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 0.32 0.39 0.00 0.53 5.19 -2.01 -3.05 116.42 117.80 1d8a h ASP 42 Ca -0.04 -0.14 0.00 0.00 -0.62 0.00 0.00 57.03 56.23 1d8a h ASP 42 Cb 0.19 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 39.60 1d8a h ASP 42 CO 0.06 0.68 0.00 1.17 -3.12 0.00 0.00 179.24 178.03 1d8a n LYS 43 N -4.09 0.33 0.00 3.56 4.81 -1.26 -1.04 118.16 120.47 1d8a n LYS 43 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.43 1d8a n LYS 43 Cb 0.43 -1.44 0.00 0.00 0.02 0.00 0.00 35.03 34.03 1d8a n LYS 43 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1d8a n LEU 44 N -0.94 0.81 0.42 3.14 4.77 -1.15 -4.82 117.00 119.22 1d8a n LEU 44 Ca 0.07 -0.81 -0.19 0.00 -0.03 0.00 0.00 56.01 55.04 1d8a n LEU 44 Cb 0.03 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.02 1d8a n LEU 44 CO 0.05 0.20 0.53 0.50 -1.33 0.00 0.00 177.39 177.35 1d8a h LYS 45 N 0.00 -1.14 0.16 3.23 3.64 -1.12 -1.60 116.57 119.75 1d8a h LYS 45 Ca 0.00 0.08 0.01 0.00 -1.27 0.00 0.00 60.65 59.46 1d8a h LYS 45 Cb 0.51 0.26 -0.04 0.00 -0.41 0.00 0.00 32.23 32.55 1d8a h LYS 45 CO 0.00 -0.76 -0.45 0.78 -2.27 0.00 0.00 179.45 176.74 1d8a h GLY 46 N -1.18 -1.18 -0.40 5.01 0.00 -1.88 0.65 103.07 104.08 1d8a h GLY 46 Ca -0.10 0.62 0.05 0.00 0.00 0.00 0.00 47.33 47.90 1d8a h GLY 46 CO 0.09 -0.31 -0.55 3.21 0.00 0.00 0.00 176.54 178.98 1d8a h ARG 47 N -0.69 -0.38 -0.00 4.80 3.08 -1.88 0.24 114.38 119.55 1d8a h ARG 47 Ca -0.01 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1d8a h ARG 47 Cb 0.67 0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.81 1d8a h ARG 47 CO -0.21 -0.25 0.00 0.28 -1.07 0.00 0.00 179.97 178.72 1d8a h VAL 48 N -0.39 0.90 0.00 2.04 2.07 -1.15 -1.51 116.25 118.21 1d8a h VAL 48 Ca 0.08 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.49 1d8a h VAL 48 Cb 0.60 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 1d8a h VAL 48 CO -0.60 0.00 -0.52 -0.33 0.02 0.00 0.00 177.57 176.14 1d8a h GLU 49 N 0.00 0.00 0.06 1.57 5.08 0.12 -2.05 114.58 119.36 1d8a h GLU 49 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1d8a h GLU 49 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1d8a h GLU 49 CO -0.00 0.52 -0.03 0.93 -1.00 0.00 0.00 179.01 179.43 1d8a h GLU 50 N 0.00 -0.08 -0.80 2.33 5.08 -0.26 -2.54 114.58 118.32 1d8a h GLU 50 Ca -0.01 0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.49 1d8a h GLU 50 Cb 0.95 0.02 -0.09 0.00 0.50 0.00 0.00 28.75 30.13 1d8a h GLU 50 CO 0.07 0.51 0.39 0.74 -1.00 0.00 0.00 179.01 179.72 1d8a h PHE 51 N -0.79 0.68 -0.21 4.33 0.05 -1.45 0.86 116.94 120.42 1d8a h PHE 51 Ca -0.01 0.03 -0.01 0.00 3.82 0.00 0.00 57.97 61.81 1d8a h PHE 51 Cb 0.63 -0.18 -0.01 0.00 2.00 0.00 0.00 35.95 38.38 1d8a h PHE 51 CO 0.14 0.17 0.11 0.00 -0.18 0.00 0.00 178.31 178.54 1d8a h ALA 52 N 1.53 0.27 -0.37 2.45 0.00 -1.42 0.19 119.26 121.91 1d8a h ALA 52 Ca 0.43 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.30 1d8a h ALA 52 Cb 0.58 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 1d8a h ALA 52 CO -0.35 -0.18 0.15 0.00 0.00 0.00 0.00 179.25 178.87 1d8a h ALA 53 N 0.98 0.44 -0.92 0.00 0.00 -0.78 0.46 119.26 119.44 1d8a h ALA 53 Ca 0.07 0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.10 1d8a h ALA 53 Cb 0.10 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.83 1d8a h ALA 53 CO -0.01 -0.24 0.60 1.96 0.00 0.00 0.00 179.25 181.56 1d8a h GLN 54 N 0.31 0.98 -0.65 0.00 4.20 -0.53 0.57 115.11 120.00 1d8a h GLN 54 Ca 0.17 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.82 1d8a h GLN 54 Cb 0.13 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 27.69 1d8a h GLN 54 CO -0.16 0.65 0.00 1.28 -0.67 0.00 0.00 178.83 179.93 1d8a n LEU 55 N -4.51 2.42 -1.73 1.46 4.32 0.03 -4.89 117.00 114.09 1d8a n LEU 55 Ca 0.15 -1.22 -0.17 0.00 -0.02 0.00 0.00 56.01 54.75 1d8a n LEU 55 Cb 0.23 -0.44 -0.02 0.00 -1.62 0.00 0.00 43.42 41.57 1d8a n LEU 55 CO 0.32 0.40 -0.20 0.61 -1.22 0.00 0.00 177.39 177.30 1d8a n GLY 56 N 0.50 0.19 3.24 -0.72 0.00 0.19 -4.84 105.19 103.74 1d8a n GLY 56 Ca 0.11 -0.20 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.40 3.13 0.00 1.61 0.15 0.15 -4.92 113.70 111.42 1d8a s SER 57 Ca 0.00 -0.53 0.13 0.00 0.70 0.00 0.00 55.95 56.25 1d8a s SER 57 Cb 0.00 -1.25 0.31 0.00 -1.71 0.00 0.00 66.02 63.36 1d8a s SER 57 CO 0.00 0.19 1.22 -0.90 1.20 0.00 0.00 173.24 174.94 1d8a n ASP 58 N 3.35 2.88 -4.38 5.45 5.68 -1.26 -3.15 116.55 125.12 1d8a n ASP 58 Ca -0.18 -1.90 -0.45 0.00 -0.50 0.00 0.00 54.79 51.76 1d8a n ASP 58 Cb 0.53 -0.21 -0.04 0.00 -1.14 0.00 0.00 41.12 40.25 1d8a n ASP 58 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 1d8a s ILE 59 N -1.03 4.85 -0.08 2.12 1.01 -1.26 -4.99 121.20 121.82 1d8a s ILE 59 Ca 0.25 -1.15 -0.00 0.00 0.00 0.00 0.00 60.65 59.75 1d8a s ILE 59 Cb 0.14 -4.53 0.02 0.00 0.01 0.00 0.00 42.46 38.10 1d8a s ILE 59 CO 0.18 -1.17 -0.04 -0.69 0.00 0.00 0.00 174.94 173.22 1d8a s VAL 60 N 2.54 0.67 0.01 2.92 1.01 -1.26 -0.44 120.40 125.85 1d8a s VAL 60 Ca 0.15 -0.10 0.03 0.00 0.00 0.00 0.00 61.98 62.07 1d8a s VAL 60 Cb -0.21 -0.75 -0.01 0.00 0.00 0.00 0.00 36.38 35.41 1d8a s VAL 60 CO 0.04 0.30 -0.11 -0.76 0.00 0.00 0.00 175.10 174.56 1d8a s LEU 61 N 1.63 2.07 0.38 3.92 1.43 -0.25 -4.99 118.68 122.87 1d8a s LEU 61 Ca 0.01 -0.27 -0.25 0.00 -1.03 0.00 0.00 54.13 52.59 1d8a s LEU 61 Cb -0.13 -0.52 -0.09 0.00 0.03 0.00 0.00 46.19 45.48 1d8a s LEU 61 CO -0.05 0.08 1.08 -1.58 0.23 0.00 0.00 176.35 176.12 1d8a s GLN 62 N -0.54 4.22 -0.25 1.70 -0.44 -1.26 -1.37 119.66 121.72 1d8a s GLN 62 Ca 0.02 1.63 -0.28 0.00 -2.50 0.00 0.00 55.36 54.24 1d8a s GLN 62 Cb -0.05 -2.68 0.17 0.00 -1.64 0.00 0.00 33.01 28.80 1d8a s GLN 62 CO 0.00 -0.12 1.23 0.00 0.50 0.00 0.00 175.29 176.90 1d8a s ASP 64 N -0.75 2.71 0.61 0.00 3.68 -1.26 -3.68 116.67 117.98 1d8a s ASP 64 Ca 0.05 -0.70 0.37 0.00 2.13 0.00 0.00 52.55 54.40 1d8a s ASP 64 Cb -0.02 -0.62 1.96 0.00 -1.45 0.00 0.00 42.92 42.79 1d8a s ASP 64 CO -0.06 -0.27 2.23 -0.37 0.13 0.00 0.00 175.17 176.82 1d8a h VAL 65 N 6.47 0.19 0.00 1.11 -1.51 -1.95 -1.43 116.25 119.14 1d8a h VAL 65 Ca -0.18 -0.20 0.00 0.00 -1.23 0.00 0.00 66.70 65.09 1d8a h VAL 65 Cb 1.12 1.16 0.00 0.00 -2.13 0.00 0.00 31.29 31.44 1d8a h VAL 65 CO 0.33 0.02 0.00 0.00 -1.23 0.00 0.00 177.57 176.70 1d8a h ALA 66 N 1.98 1.00 -3.24 5.19 0.00 -1.95 -3.41 119.26 118.83 1d8a h ALA 66 Ca -0.00 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.37 1d8a h ALA 66 Cb 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 17.79 17.60 1d8a h ALA 66 CO 0.00 0.00 -0.81 -1.21 0.00 0.00 0.00 179.25 177.23 1d8a s GLU 67 N -3.67 1.72 0.12 0.00 0.41 -0.54 -5.03 118.70 111.71 1d8a s GLU 67 Ca -0.01 -0.36 -0.30 0.00 -0.41 0.00 0.00 54.97 53.90 1d8a s GLU 67 Cb 0.09 -1.63 -0.09 0.00 -1.78 0.00 0.00 34.13 30.72 1d8a s GLU 67 CO 0.38 -0.17 1.59 -0.44 -0.49 0.00 0.00 175.26 176.13 1d8a h ASP 68 N 7.80 -1.17 -0.88 -0.19 5.19 -1.80 -1.90 116.42 123.46 1d8a h ASP 68 Ca -0.31 0.13 0.23 0.00 -0.62 0.00 0.00 57.03 56.46 1d8a h ASP 68 Cb 1.15 0.45 -0.16 0.00 0.18 0.00 0.00 39.33 40.95 1d8a h ASP 68 CO 0.45 -0.46 0.06 0.00 -3.12 0.00 0.00 179.24 176.16 1d8a h ALA 69 N -0.07 1.05 -0.71 3.45 0.00 -1.96 0.94 119.26 121.96 1d8a h ALA 69 Ca 0.03 0.28 0.03 0.00 0.00 0.00 0.00 54.91 55.25 1d8a h ALA 69 Cb 0.65 0.47 -0.05 0.00 0.00 0.00 0.00 17.79 18.87 1d8a h ALA 69 CO -0.25 -0.49 0.44 1.03 0.00 0.00 0.00 179.25 179.98 1d8a h SER 70 N 0.09 0.72 -0.38 0.00 0.87 -1.60 0.68 113.55 113.94 1d8a h SER 70 Ca 0.52 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 61.01 1d8a h SER 70 Cb 1.02 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.81 1d8a h SER 70 CO -0.77 0.50 -0.06 0.40 -0.53 0.00 0.00 176.83 176.36 1d8a h ILE 71 N 0.86 1.27 -0.28 2.23 2.04 0.11 -0.99 117.51 122.75 1d8a h ILE 71 Ca 0.29 -1.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.02 1d8a h ILE 71 Cb 0.03 1.22 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 1d8a h ILE 71 CO -0.11 0.37 0.12 0.44 0.00 0.00 0.00 178.15 178.97 1d8a h ASP 72 N 0.52 0.38 -0.39 1.72 3.32 0.99 -2.43 116.42 120.52 1d8a h ASP 72 Ca 0.10 -0.15 -0.02 0.00 0.02 0.00 0.00 57.03 56.98 1d8a h ASP 72 Cb 0.56 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.99 1d8a h ASP 72 CO 0.03 0.43 0.17 0.74 -1.72 0.00 0.00 179.24 178.89 1d8a h THR 73 N 0.31 1.19 -0.28 0.35 2.02 0.41 -1.97 112.91 114.93 1d8a h THR 73 Ca 0.10 -0.57 0.04 0.00 0.77 0.00 0.00 66.41 66.74 1d8a h THR 73 Cb 0.16 0.83 -0.04 0.00 -1.74 0.00 0.00 68.15 67.37 1d8a h THR 73 CO -0.01 0.21 0.05 -0.03 0.37 0.00 0.00 175.52 176.11 1d8a h MET 74 N 0.49 0.14 0.00 6.66 1.85 -1.09 0.11 114.93 123.10 1d8a h MET 74 Ca 0.13 -0.01 0.00 0.00 -0.61 0.00 0.00 59.70 59.21 1d8a h MET 74 Cb 0.17 -0.03 0.00 0.00 0.43 0.00 0.00 31.60 32.17 1d8a h MET 74 CO -0.01 0.10 0.00 1.19 -0.40 0.00 0.00 176.91 177.78 1d8a n PHE 75 N -5.10 0.57 -0.02 1.39 3.72 -0.92 -1.54 117.46 115.55 1d8a n PHE 75 Ca -0.01 0.23 -0.13 0.00 -0.05 0.00 0.00 57.45 57.49 1d8a n PHE 75 Cb 0.13 -0.86 -0.11 0.00 -0.94 0.00 0.00 39.48 37.70 1d8a n PHE 75 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1d8a h ALA 76 N 2.33 -0.04 -0.00 4.37 0.00 -0.02 -2.33 119.26 123.56 1d8a h ALA 76 Ca 0.00 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 1d8a h ALA 76 Cb 0.32 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1d8a h ALA 76 CO 0.00 -0.16 0.00 0.93 0.00 0.00 0.00 179.25 180.02 1d8a h GLU 77 N -0.76 0.00 -0.87 0.00 4.39 -0.99 -2.94 114.58 113.41 1d8a h GLU 77 Ca -0.00 -0.00 0.17 0.00 0.34 0.00 0.00 59.36 59.86 1d8a h GLU 77 Cb 0.68 -0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 29.23 1d8a h GLU 77 CO 0.01 0.21 0.44 1.25 -1.16 0.00 0.00 179.01 179.75 1d8a h LEU 78 N -0.20 0.49 -2.65 1.33 5.85 -1.38 0.29 115.31 119.04 1d8a h LEU 78 Ca 0.00 0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.84 1d8a h LEU 78 Cb 0.20 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.27 1d8a h LEU 78 CO -0.00 0.16 0.04 1.23 -0.34 0.00 0.00 178.44 179.53 1d8a h GLY 79 N 0.57 0.00 1.35 3.75 0.00 -1.23 2.36 103.07 109.87 1d8a h GLY 79 Ca 0.50 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.68 1d8a h GLY 79 CO -0.41 0.00 -0.43 0.50 0.00 0.00 0.00 176.54 176.21 1d8a h LYS 80 N 0.00 0.71 0.00 4.80 1.57 -0.40 -2.78 116.57 120.47 1d8a h LYS 80 Ca 0.01 -0.38 -0.37 0.00 -1.87 0.00 0.00 60.65 58.04 1d8a h LYS 80 Cb 0.08 0.02 -0.07 0.00 0.08 0.00 0.00 32.23 32.35 1d8a h LYS 80 CO -0.00 1.00 -2.33 1.33 -0.57 0.00 0.00 179.45 178.87 1d8a n VAL 81 N -4.03 1.45 -3.78 0.50 0.24 -0.58 -4.78 118.33 107.36 1d8a n VAL 81 Ca -0.02 -0.77 -0.30 0.00 -2.04 0.00 0.00 64.34 61.21 1d8a n VAL 81 Cb 0.54 -0.81 -0.14 0.00 -1.47 0.00 0.00 33.84 31.97 1d8a n VAL 81 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 1d8a s TRP 82 N -2.51 2.28 -0.77 6.34 0.52 0.79 -4.92 118.94 120.67 1d8a s TRP 82 Ca -0.16 -2.43 0.25 0.00 0.02 0.00 0.00 56.10 53.77 1d8a s TRP 82 Cb 0.07 -2.09 0.93 0.00 -1.15 0.00 0.00 33.47 31.23 1d8a s TRP 82 CO 0.77 -0.82 1.77 -0.35 0.02 0.00 0.00 176.95 178.34 1d8a n PRO 83 N 3.87 0.16 -3.57 4.98 -0.04 -1.05 -3.09 135.00 136.26 1d8a n PRO 83 Ca 0.05 0.21 -0.00 0.00 -0.04 0.00 0.00 63.50 63.72 1d8a n PRO 83 Cb 0.37 -1.71 -0.04 0.00 -0.04 0.00 0.00 33.50 32.08 1d8a n PRO 83 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1d8a s LYS 84 N -3.11 0.56 0.00 0.54 -0.14 -1.26 -4.63 119.74 111.70 1d8a s LYS 84 Ca 0.10 1.35 0.00 0.00 -1.36 0.00 0.00 55.97 56.06 1d8a s LYS 84 Cb 0.13 0.81 0.00 0.00 -1.68 0.00 0.00 37.83 37.09 1d8a s LYS 84 CO 0.50 -0.25 0.00 1.97 -0.76 0.00 0.00 175.35 176.81 1d8a n PHE 85 N 5.42 0.00 -2.93 3.18 -0.00 -0.96 -4.89 117.46 117.27 1d8a n PHE 85 Ca -0.10 0.00 -0.19 0.00 -0.00 0.00 0.00 57.45 57.15 1d8a n PHE 85 Cb 0.50 0.00 -0.02 0.00 -0.00 0.00 0.00 39.48 39.96 1d8a n PHE 85 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.76 176.51 1d8a n ASP 86 N -0.12 2.28 0.00 5.98 9.92 0.41 -1.26 116.55 133.76 1d8a n ASP 86 Ca 0.00 -3.19 0.00 0.00 -0.53 0.00 0.00 54.79 51.07 1d8a n ASP 86 Cb 0.00 -0.57 0.00 0.00 -0.64 0.00 0.00 41.12 39.91 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 -0.01 0.18 3.30 0.44 0.00 -1.26 -3.38 105.19 104.46 1d8a n GLY 87 Ca 0.25 -1.98 -0.10 0.00 0.00 0.00 0.00 46.02 44.18 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 -1.18 -0.08 -0.21 1.61 -0.71 -1.21 -2.39 117.98 113.82 1d8a s PHE 88 Ca 0.00 -0.27 -0.07 0.00 -1.04 0.00 0.00 56.93 55.55 1d8a s PHE 88 Cb 0.00 0.17 -0.04 0.00 -1.21 0.00 0.00 43.02 41.95 1d8a s PHE 88 CO 0.00 -0.67 0.06 0.08 -1.34 0.00 0.00 175.22 173.35 1d8a s VAL 89 N -3.83 4.53 -0.50 -2.49 1.01 0.30 -2.62 120.40 116.80 1d8a s VAL 89 Ca 0.04 -0.12 -0.15 0.00 0.00 0.00 0.00 61.98 61.76 1d8a s VAL 89 Cb 0.03 -3.07 0.11 0.00 0.00 0.00 0.00 36.38 33.44 1d8a s VAL 89 CO -0.11 0.41 0.44 -2.28 0.00 0.00 0.00 175.10 173.56 1d8a s HIS 90 N 0.90 3.27 -0.53 5.22 2.46 0.76 -2.08 115.29 125.28 1d8a s HIS 90 Ca 0.03 -1.23 0.05 0.00 0.47 0.00 0.00 55.06 54.39 1d8a s HIS 90 Cb -0.14 -3.51 0.37 0.00 -0.13 0.00 0.00 32.58 29.17 1d8a s HIS 90 CO 0.03 -0.93 1.00 0.45 -2.47 0.00 0.00 174.74 172.82 1d8a n SER 91 N 5.19 4.55 -4.17 9.88 2.88 -1.25 -2.88 113.62 127.82 1d8a n SER 91 Ca -0.13 -3.70 -0.27 0.00 -1.33 0.00 0.00 58.87 53.45 1d8a n SER 91 Cb 0.41 -0.53 -0.16 0.00 -0.75 0.00 0.00 64.21 63.19 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 -4.81 1.53 -0.29 2.46 1.01 -1.26 -4.27 121.20 115.57 1d8a s ILE 92 Ca 0.49 -0.79 -0.25 0.00 0.00 0.00 0.00 60.65 60.10 1d8a s ILE 92 Cb 0.32 -1.30 0.15 0.00 0.01 0.00 0.00 42.46 41.64 1d8a s ILE 92 CO -0.16 0.44 1.20 -0.83 0.00 0.00 0.00 174.94 175.59 1d8a s GLY 93 N -0.10 0.07 0.05 6.18 0.00 -1.26 -4.52 107.32 107.74 1d8a s GLY 93 Ca -0.01 3.06 -0.18 0.00 0.00 0.00 0.00 44.72 47.59 1d8a s GLY 93 CO 0.02 1.92 0.41 -0.12 0.00 0.00 0.00 173.10 175.33 1d8a s PHE 94 N 0.19 -0.27 -0.28 1.90 5.36 -1.26 -4.93 117.98 118.70 1d8a s PHE 94 Ca 0.04 0.22 -0.21 0.00 -0.96 0.00 0.00 56.93 56.03 1d8a s PHE 94 Cb -0.05 0.22 0.10 0.00 -0.34 0.00 0.00 43.02 42.95 1d8a s PHE 94 CO -0.10 -0.57 0.82 0.00 -1.46 0.00 0.00 175.22 173.90 1d8a s ALA 95 N -2.49 -1.93 0.12 11.12 0.00 -1.26 -3.97 121.76 123.35 1d8a s ALA 95 Ca -0.05 2.15 -0.34 0.00 0.00 0.00 0.00 51.96 53.72 1d8a s ALA 95 Cb -0.01 -1.39 -0.13 0.00 0.00 0.00 0.00 23.12 21.59 1d8a s ALA 95 CO -0.02 -0.33 1.65 -0.35 0.00 0.00 0.00 175.76 176.70 1d8a n PRO 96 N 3.25 2.22 -0.39 0.00 -0.04 -1.26 -4.87 135.00 133.92 1d8a n PRO 96 Ca -0.16 0.80 -0.10 0.00 -0.04 0.00 0.00 63.50 64.00 1d8a n PRO 96 Cb 0.57 -2.59 -0.09 0.00 -0.04 0.00 0.00 33.50 31.34 1d8a n PRO 96 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1d8a n GLY 97 N 3.64 -2.43 0.40 0.55 0.00 -1.26 -0.36 105.19 105.74 1d8a n GLY 97 Ca 0.18 1.10 0.35 0.00 0.00 0.00 0.00 46.02 47.64 1d8a n GLY 97 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1d8a n ASP 98 N -5.13 0.19 0.22 1.61 3.85 -1.26 0.16 116.55 116.18 1d8a n ASP 98 Ca 0.02 1.22 0.06 0.00 -0.71 0.00 0.00 54.79 55.38 1d8a n ASP 98 Cb 0.24 -0.60 0.49 0.00 -1.35 0.00 0.00 41.12 39.90 1d8a n ASP 98 CO 0.00 0.00 0.00 1.56 -1.01 0.00 0.00 177.20 177.75 1d8a h GLN 99 N 0.00 0.00 -0.98 0.11 1.08 -0.97 -3.21 115.11 111.14 1d8a h GLN 99 Ca 0.77 0.00 -0.42 0.00 -1.45 0.00 0.00 58.65 57.55 1d8a h GLN 99 Cb 2.44 0.00 -0.25 0.00 -0.05 0.00 0.00 27.48 29.62 1d8a h GLN 99 CO -0.42 0.27 0.53 1.28 -0.95 0.00 0.00 178.83 179.54 1d8a n LEU 100 N -3.90 6.17 -3.73 1.46 4.77 0.41 -4.51 117.00 117.68 1d8a n LEU 100 Ca -0.02 -3.28 -0.13 0.00 -0.03 0.00 0.00 56.01 52.56 1d8a n LEU 100 Cb 0.35 -0.79 -0.14 0.00 -2.33 0.00 0.00 43.42 40.52 1d8a n LEU 100 CO 0.35 0.95 -0.16 -0.62 -1.33 0.00 0.00 177.39 176.58 1d8a s ASP 101 N -0.97 -0.14 0.00 -1.43 2.15 -1.21 -3.41 116.67 111.66 1d8a s ASP 101 Ca 0.49 0.45 0.00 0.00 0.43 0.00 0.00 52.55 53.92 1d8a s ASP 101 Cb 0.41 0.35 0.00 0.00 -0.30 0.00 0.00 42.92 43.38 1d8a s ASP 101 CO 0.10 -0.17 0.00 0.61 -0.17 0.00 0.00 175.17 175.54 1d8a n GLY 102 N 4.33 -1.21 3.68 2.66 0.00 -1.26 -4.81 105.19 108.58 1d8a n GLY 102 Ca -0.24 -1.28 -0.45 0.00 0.00 0.00 0.00 46.02 44.05 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 0.26 3.47 0.13 1.61 2.03 -1.26 -4.45 116.55 118.35 1d8a n ASP 103 Ca 0.00 1.04 -0.14 0.00 0.52 0.00 0.00 54.79 56.21 1d8a n ASP 103 Cb 0.00 -1.46 -0.08 0.00 -0.72 0.00 0.00 41.12 38.86 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 7.23 -0.30 -0.51 -0.67 5.03 -1.93 0.81 116.97 126.63 1d8a h TYR 104 Ca -0.46 -0.01 0.09 0.00 2.58 0.00 0.00 58.73 60.93 1d8a h TYR 104 Cb 1.24 0.10 -0.03 0.00 1.55 0.00 0.00 36.73 39.60 1d8a h TYR 104 CO 0.71 -0.03 0.35 0.28 -1.32 0.00 0.00 178.16 178.15 1d8a h VAL 105 N -0.56 0.90 0.22 1.81 2.07 -1.94 0.89 116.25 119.63 1d8a h VAL 105 Ca -0.03 -0.11 -0.33 0.00 0.82 0.00 0.00 66.70 67.04 1d8a h VAL 105 Cb 0.41 0.55 0.02 0.00 -1.52 0.00 0.00 31.29 30.76 1d8a h VAL 105 CO 0.05 0.06 -1.56 0.78 0.02 0.00 0.00 177.57 176.92 1d8a h ASN 106 N 0.32 0.71 -0.13 0.57 2.35 -1.90 -3.38 115.58 114.11 1d8a h ASN 106 Ca 0.23 -0.93 -0.04 0.00 -0.55 0.00 0.00 56.30 55.01 1d8a h ASN 106 Cb 0.50 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.63 1d8a h ASN 106 CO -0.05 1.73 -0.08 0.00 -1.65 0.00 0.00 177.43 177.38 1d8a h ALA 107 N 0.12 0.19 -2.40 -0.83 0.00 0.14 -3.46 119.26 113.01 1d8a h ALA 107 Ca -0.29 -0.27 -0.58 0.00 0.00 0.00 0.00 54.91 53.77 1d8a h ALA 107 Cb 2.09 -0.05 0.09 0.00 0.00 0.00 0.00 17.79 19.93 1d8a h ALA 107 CO 0.22 -0.00 0.58 1.55 0.00 0.00 0.00 179.25 181.59 1d8a n VAL 108 N -4.65 1.32 -4.12 0.00 3.14 0.24 -4.69 118.33 109.57 1d8a n VAL 108 Ca -0.06 -0.33 -0.12 0.00 -2.96 0.00 0.00 64.34 60.87 1d8a n VAL 108 Cb 0.30 -1.51 -0.11 0.00 -1.06 0.00 0.00 33.84 31.46 1d8a n VAL 108 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 1d8a s THR 109 N -0.41 0.66 0.24 1.55 -4.23 -1.26 -5.00 115.64 107.19 1d8a s THR 109 Ca 0.64 -1.48 -0.04 0.00 -1.18 0.00 0.00 61.69 59.62 1d8a s THR 109 Cb -0.62 -1.12 0.21 0.00 1.34 0.00 0.00 72.50 72.31 1d8a s THR 109 CO 0.54 -0.59 1.81 -0.09 -0.54 0.00 0.00 174.62 175.75 1d8a h ARG 110 N 3.79 0.78 0.54 3.99 2.43 -1.98 0.54 114.38 124.47 1d8a h ARG 110 Ca -0.36 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 58.74 1d8a h ARG 110 Cb 1.19 -0.18 0.01 0.00 -0.42 0.00 0.00 29.97 30.57 1d8a h ARG 110 CO 0.51 0.52 -0.26 1.49 -1.51 0.00 0.00 179.97 180.72 1d8a h GLU 111 N 0.80 -0.70 -0.52 0.20 4.57 -1.99 -0.97 114.58 115.97 1d8a h GLU 111 Ca 0.40 0.05 0.07 0.00 -1.18 0.00 0.00 59.36 58.70 1d8a h GLU 111 Cb 0.35 0.16 -0.06 0.00 -0.16 0.00 0.00 28.75 29.04 1d8a h GLU 111 CO -0.24 -0.39 0.19 0.78 -1.18 0.00 0.00 179.01 178.16 1d8a h GLY 112 N -0.97 0.70 0.73 1.92 0.00 -1.88 0.34 103.07 103.91 1d8a h GLY 112 Ca -0.07 -0.10 0.05 0.00 0.00 0.00 0.00 47.33 47.20 1d8a h GLY 112 CO 0.12 0.00 0.39 -2.75 0.00 0.00 0.00 176.54 174.31 1d8a h PHE 113 N 0.37 0.73 -0.19 5.60 3.57 0.11 -1.42 116.94 125.70 1d8a h PHE 113 Ca 0.25 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.75 1d8a h PHE 113 Cb 0.28 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 1d8a h PHE 113 CO -0.16 0.37 -0.01 -0.22 -2.23 0.00 0.00 178.31 176.05 1d8a h LYS 114 N 0.74 0.34 -0.29 1.11 3.64 -0.17 -2.88 116.57 119.05 1d8a h LYS 114 Ca 0.30 -0.11 -0.00 0.00 -1.27 0.00 0.00 60.65 59.56 1d8a h LYS 114 Cb 0.14 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 1d8a h LYS 114 CO -0.16 0.56 0.18 0.82 -2.27 0.00 0.00 179.45 178.58 1d8a h ILE 115 N 0.08 1.10 -0.30 2.00 2.04 -0.72 -1.21 117.51 120.50 1d8a h ILE 115 Ca 0.05 -0.22 0.04 0.00 1.00 0.00 0.00 64.86 65.74 1d8a h ILE 115 Cb 0.41 0.71 -0.04 0.00 -0.74 0.00 0.00 36.82 37.16 1d8a h ILE 115 CO 0.01 0.10 0.06 0.00 0.00 0.00 0.00 178.15 178.32 1d8a h ALA 116 N 1.08 0.31 -0.36 1.87 0.00 -1.29 -2.17 119.26 118.70 1d8a h ALA 116 Ca 0.11 0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.97 1d8a h ALA 116 Cb -0.00 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1d8a h ALA 116 CO -0.02 -0.35 -0.21 0.45 0.00 0.00 0.00 179.25 179.12 1d8a h HIS 117 N 0.17 0.79 -0.00 0.00 3.86 -1.41 -0.26 115.15 118.31 1d8a h HIS 117 Ca 0.14 -0.17 -0.00 0.00 -1.16 0.00 0.00 60.37 59.18 1d8a h HIS 117 Cb 0.15 -0.19 -0.00 0.00 1.06 0.00 0.00 27.41 28.43 1d8a h HIS 117 CO -0.17 0.85 0.00 0.22 0.86 0.00 0.00 177.93 179.69 1d8a h ASP 118 N 0.62 0.00 0.15 2.45 1.82 -0.84 -0.69 116.42 119.93 1d8a h ASP 118 Ca 0.09 -0.18 -0.24 0.00 -0.39 0.00 0.00 57.03 56.31 1d8a h ASP 118 Cb 0.69 -0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.71 1d8a h ASP 118 CO 0.05 0.18 -1.16 0.40 -1.61 0.00 0.00 179.24 177.10 1d8a h ILE 119 N -0.17 1.28 0.00 2.25 1.08 -1.45 -1.48 117.51 119.01 1d8a h ILE 119 Ca 0.00 -2.50 0.00 0.00 -0.39 0.00 0.00 64.86 61.97 1d8a h ILE 119 Cb 0.18 2.98 0.00 0.00 -3.07 0.00 0.00 36.82 36.91 1d8a h ILE 119 CO -0.00 0.73 0.00 0.28 -0.69 0.00 0.00 178.15 178.47 1d8a h SER 120 N -0.27 0.00 0.00 1.72 0.02 -1.14 -3.36 113.55 110.51 1d8a h SER 120 Ca -0.23 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 1d8a h SER 120 Cb 1.77 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.31 1d8a h SER 120 CO 0.13 0.00 0.00 -0.24 -1.14 0.00 0.00 176.83 175.58 1d8a n SER 121 N -2.54 0.06 -0.23 3.07 2.88 -0.36 -4.76 113.62 111.75 1d8a n SER 121 Ca 0.04 0.02 0.15 0.00 -1.33 0.00 0.00 58.87 57.75 1d8a n SER 121 Cb 0.42 -0.01 0.45 0.00 -0.75 0.00 0.00 64.21 64.33 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 0.00 0.64 -1.10 0.66 3.20 -1.22 -1.08 116.97 118.07 1d8a h TYR 122 Ca 0.00 0.02 0.30 0.00 3.14 0.00 0.00 58.73 62.19 1d8a h TYR 122 Cb 0.00 -0.20 -0.10 0.00 1.54 0.00 0.00 36.73 37.97 1d8a h TYR 122 CO 0.00 0.22 0.71 0.66 -1.64 0.00 0.00 178.16 178.11 1d8a h SER 123 N 0.53 0.38 0.49 -2.11 4.64 -1.41 0.93 113.55 116.99 1d8a h SER 123 Ca 0.43 0.09 -0.02 0.00 -0.47 0.00 0.00 61.79 61.82 1d8a h SER 123 Cb 0.88 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 1d8a h SER 123 CO -0.17 0.03 -0.23 0.15 -0.87 0.00 0.00 176.83 175.73 1d8a h PHE 124 N 0.31 -0.61 0.00 4.77 3.57 -1.46 -2.18 116.94 121.34 1d8a h PHE 124 Ca 0.64 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 62.06 1d8a h PHE 124 Cb 1.75 0.20 -0.01 0.00 2.79 0.00 0.00 35.95 40.68 1d8a h PHE 124 CO -0.00 -0.32 -0.29 -0.24 -2.23 0.00 0.00 178.31 175.22 1d8a h VAL 125 N -0.78 0.65 -0.46 1.41 3.04 -1.51 -2.60 116.25 116.01 1d8a h VAL 125 Ca -0.07 -1.37 -0.01 0.00 -1.01 0.00 0.00 66.70 64.25 1d8a h VAL 125 Cb 0.56 1.91 -0.02 0.00 -2.01 0.00 0.00 31.29 31.73 1d8a h VAL 125 CO 0.11 0.29 0.26 0.00 -1.01 0.00 0.00 177.57 177.22 1d8a h ALA 126 N 1.71 0.58 -0.06 3.17 0.00 -0.71 0.34 119.26 124.29 1d8a h ALA 126 Ca -0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1d8a h ALA 126 Cb 0.89 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1d8a h ALA 126 CO 0.04 0.09 -0.04 0.52 0.00 0.00 0.00 179.25 179.86 1d8a h MET 127 N 0.60 0.13 -0.54 0.00 2.07 -1.26 -1.73 114.93 114.20 1d8a h MET 127 Ca 0.16 -0.06 0.09 0.00 -2.07 0.00 0.00 59.70 57.82 1d8a h MET 127 Cb 0.02 -0.00 -0.07 0.00 -1.87 0.00 0.00 31.60 29.68 1d8a h MET 127 CO -0.03 0.53 0.15 0.00 1.07 0.00 0.00 176.91 178.63 1d8a h ALA 128 N 0.60 0.64 -0.95 6.32 0.00 -1.30 0.26 119.26 124.83 1d8a h ALA 128 Ca 0.01 0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.07 1d8a h ALA 128 Cb 0.49 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.32 1d8a h ALA 128 CO 0.01 -0.26 0.62 -0.22 0.00 0.00 0.00 179.25 179.40 1d8a h LYS 129 N 0.31 1.10 0.00 0.00 3.64 -0.24 -0.66 116.57 120.72 1d8a h LYS 129 Ca 0.27 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 1d8a h LYS 129 Cb 0.34 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1d8a h LYS 129 CO -0.31 0.73 0.00 0.00 -2.27 0.00 0.00 179.45 177.60 1d8a n ALA 130 N -2.38 2.17 -1.89 5.00 0.00 -0.01 -3.83 120.51 119.57 1d8a n ALA 130 Ca 0.14 -0.08 0.03 0.00 0.00 0.00 0.00 53.44 53.53 1d8a n ALA 130 Cb 0.16 -1.42 0.05 0.00 0.00 0.00 0.00 19.45 18.24 1d8a n ALA 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1d8a h ARG 132 N 0.27 0.62 0.00 0.00 2.43 -1.25 -2.69 114.38 113.76 1d8a h ARG 132 Ca -0.05 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 1d8a h ARG 132 Cb 1.39 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 1d8a h ARG 132 CO 0.02 0.41 0.00 0.66 -1.51 0.00 0.00 179.97 179.55 1d8a h SER 133 N 0.63 0.00 1.35 -3.80 4.64 -1.89 -3.18 113.55 111.31 1d8a h SER 133 Ca 0.25 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.55 1d8a h SER 133 Cb 0.11 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1d8a h SER 133 CO -0.14 0.00 -0.66 0.24 -0.87 0.00 0.00 176.83 175.40 1d8a h MET 134 N 0.00 0.00 -6.68 4.77 2.86 -1.74 -3.47 114.93 110.67 1d8a h MET 134 Ca 0.00 0.00 -0.52 0.00 -2.06 0.00 0.00 59.70 57.12 1d8a h MET 134 Cb 0.59 0.00 0.04 0.00 0.06 0.00 0.00 31.60 32.29 1d8a h MET 134 CO 0.00 0.07 0.69 -0.51 1.06 0.00 0.00 176.91 178.22 1d8a s LEU 135 N -5.78 4.40 0.73 1.22 1.43 -1.19 -2.27 118.68 117.22 1d8a s LEU 135 Ca 0.02 2.47 -0.10 0.00 -1.03 0.00 0.00 54.13 55.49 1d8a s LEU 135 Cb 0.08 -3.61 0.05 0.00 0.03 0.00 0.00 46.19 42.74 1d8a s LEU 135 CO 0.75 -0.59 1.08 0.20 0.23 0.00 0.00 176.35 178.02 1d8a s ASN 136 N 0.44 4.96 0.17 2.29 0.01 -0.39 -4.92 114.94 117.50 1d8a s ASN 136 Ca 0.58 0.77 -0.30 0.00 -0.71 0.00 0.00 52.86 53.20 1d8a s ASN 136 Cb -0.38 -1.45 -0.08 0.00 0.41 0.00 0.00 41.25 39.76 1d8a s ASN 136 CO 0.39 -1.57 1.17 -2.84 -1.51 0.00 0.00 177.10 172.73 1d8a s PRO 137 N -5.36 4.51 0.00 -0.60 0.02 -1.26 -2.52 135.00 129.79 1d8a s PRO 137 Ca 0.59 1.82 0.00 0.00 0.02 0.00 0.00 61.00 63.44 1d8a s PRO 137 Cb -0.11 -3.26 0.00 0.00 0.02 0.00 0.00 34.50 31.15 1d8a s PRO 137 CO 0.48 -0.07 0.00 0.41 -0.33 0.00 0.00 177.00 177.49 1d8a n GLY 138 N 2.27 0.79 3.77 0.52 0.00 0.49 -5.06 105.19 107.97 1d8a n GLY 138 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.06 4.57 -0.03 1.61 0.01 -1.05 -4.87 113.70 111.88 1d8a s SER 139 Ca 0.00 1.80 -0.02 0.00 1.31 0.00 0.00 55.95 59.04 1d8a s SER 139 Cb 0.00 -2.52 0.02 0.00 0.21 0.00 0.00 66.02 63.73 1d8a s SER 139 CO 0.00 -1.99 0.08 0.00 0.41 0.00 0.00 173.24 171.74 1d8a s ALA 140 N -2.92 -0.15 -0.12 1.44 0.00 -1.22 -1.57 121.76 117.23 1d8a s ALA 140 Ca 0.61 0.32 -0.02 0.00 0.00 0.00 0.00 51.96 52.87 1d8a s ALA 140 Cb -0.17 -0.21 -0.03 0.00 0.00 0.00 0.00 23.12 22.71 1d8a s ALA 140 CO 0.56 -0.07 -0.05 -0.51 0.00 0.00 0.00 175.76 175.69 1d8a s LEU 141 N 0.46 3.22 0.05 0.00 1.43 0.16 -3.30 118.68 120.70 1d8a s LEU 141 Ca -0.04 -0.08 0.07 0.00 -1.03 0.00 0.00 54.13 53.05 1d8a s LEU 141 Cb -0.05 -1.74 -0.03 0.00 0.03 0.00 0.00 46.19 44.40 1d8a s LEU 141 CO -0.02 0.25 -0.19 -0.22 0.23 0.00 0.00 176.35 176.40 1d8a s LEU 142 N -0.13 2.18 -0.00 1.79 2.96 -1.08 -1.91 118.68 122.49 1d8a s LEU 142 Ca 0.02 -0.52 -0.06 0.00 -0.22 0.00 0.00 54.13 53.35 1d8a s LEU 142 Cb -0.13 -0.88 0.00 0.00 0.50 0.00 0.00 46.19 45.68 1d8a s LEU 142 CO 0.03 0.12 0.11 0.28 -1.32 0.00 0.00 176.35 175.57 1d8a s THR 143 N -0.84 0.07 -0.15 3.68 -1.32 -1.03 -0.17 115.64 115.89 1d8a s THR 143 Ca 0.06 -0.61 -0.09 0.00 -1.21 0.00 0.00 61.69 59.85 1d8a s THR 143 Cb -0.09 -0.37 -0.04 0.00 -1.51 0.00 0.00 72.50 70.49 1d8a s THR 143 CO 0.02 -0.33 0.16 -0.76 -2.21 0.00 0.00 174.62 171.49 1d8a s LEU 144 N -1.15 4.32 0.00 9.08 2.01 -1.14 -0.42 118.68 131.37 1d8a s LEU 144 Ca -0.12 0.40 0.00 0.00 0.01 0.00 0.00 54.13 54.42 1d8a s LEU 144 Cb -0.07 -2.11 -0.00 0.00 0.01 0.00 0.00 46.19 44.02 1d8a s LEU 144 CO 0.01 0.30 0.01 -0.24 1.01 0.00 0.00 176.35 177.44 1d8a n SER 145 N 2.66 1.35 -3.73 2.29 2.88 0.38 -4.92 113.62 114.53 1d8a n SER 145 Ca -0.18 -1.23 -0.13 0.00 -1.33 0.00 0.00 58.87 56.00 1d8a n SER 145 Cb 0.54 0.09 -0.08 0.00 -0.75 0.00 0.00 64.21 64.01 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 -1.53 -0.19 0.65 0.66 5.04 -1.26 -3.21 117.35 117.50 1d8a s TYR 146 Ca 0.01 0.18 0.27 0.00 -2.44 0.00 0.00 57.07 55.10 1d8a s TYR 146 Cb 0.00 0.13 1.47 0.00 0.35 0.00 0.00 41.96 43.91 1d8a s TYR 146 CO 0.01 -0.48 1.83 1.25 -1.34 0.00 0.00 175.55 176.82 1d8a h LEU 147 N 3.41 0.00 -2.55 6.97 5.85 -1.92 0.31 115.31 127.39 1d8a h LEU 147 Ca -0.31 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.42 1d8a h LEU 147 Cb 1.19 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.22 1d8a h LEU 147 CO 0.43 0.00 0.14 1.23 -0.34 0.00 0.00 178.44 179.90 1d8a h GLY 148 N 0.00 0.00 2.00 3.75 0.00 -1.93 0.29 103.07 107.18 1d8a h GLY 148 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1d8a h GLY 148 CO 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 176.54 176.52 1d8a h ALA 149 N 1.74 0.99 0.00 3.60 0.00 -1.09 -3.32 119.26 121.18 1d8a h ALA 149 Ca 0.01 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.65 1d8a h ALA 149 Cb 0.29 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 1d8a h ALA 149 CO -0.00 0.02 -2.03 0.39 0.00 0.00 0.00 179.25 177.63 1d8a n GLU 150 N -3.10 1.41 -4.23 0.00 1.02 0.91 -4.56 120.64 112.08 1d8a n GLU 150 Ca 0.03 -0.02 -0.13 0.00 -0.02 0.00 0.00 57.16 57.02 1d8a n GLU 150 Cb 0.46 -1.39 -0.10 0.00 -0.02 0.00 0.00 31.44 30.38 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 -2.44 1.00 -0.57 3.49 0.52 -0.50 -5.10 118.95 115.35 1d8a s ARG 151 Ca -0.07 -1.43 -0.25 0.00 -0.52 0.00 0.00 55.73 53.45 1d8a s ARG 151 Cb 0.05 -0.43 0.04 0.00 0.52 0.00 0.00 34.95 35.13 1d8a s ARG 151 CO 0.63 0.01 1.02 0.00 0.02 0.00 0.00 175.30 176.98 1d8a s ALA 152 N -3.48 3.10 -0.13 2.13 0.00 -1.26 -4.41 121.76 117.71 1d8a s ALA 152 Ca 0.17 -1.20 -0.05 0.00 0.00 0.00 0.00 51.96 50.87 1d8a s ALA 152 Cb 0.04 -3.84 -0.04 0.00 0.00 0.00 0.00 23.12 19.28 1d8a s ALA 152 CO -0.00 -2.52 0.07 0.42 0.00 0.00 0.00 175.76 173.72 1d8a s ILE 153 N 4.27 4.87 0.26 0.00 1.01 -1.26 -5.06 121.20 125.29 1d8a s ILE 153 Ca 0.33 -0.02 -0.31 0.00 0.00 0.00 0.00 60.65 60.65 1d8a s ILE 153 Cb -0.11 -3.13 -0.12 0.00 0.01 0.00 0.00 42.46 39.11 1d8a s ILE 153 CO 0.20 0.56 1.54 -2.65 0.00 0.00 0.00 174.94 174.59 1d8a n PRO 154 N 2.57 2.44 0.00 2.79 -0.02 -1.26 -2.75 135.00 138.77 1d8a n PRO 154 Ca -0.18 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 1d8a n PRO 154 Cb 0.54 -2.61 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 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 2.41 0.00 -0.06 2.55 3.02 -1.26 -4.74 115.26 117.19 1d8a n ASN 155 Ca 0.11 0.00 0.03 0.00 -0.03 0.00 0.00 54.58 54.68 1d8a n ASN 155 Cb 0.34 -0.01 0.36 0.00 -0.61 0.00 0.00 39.78 39.87 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 0.63 0.00 3.10 -0.00 -1.81 -3.38 116.97 115.52 1d8a h TYR 156 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 58.73 58.74 1d8a h TYR 156 Cb 0.00 -0.21 0.00 0.00 -0.00 0.00 0.00 36.73 36.52 1d8a h TYR 156 CO 0.00 0.42 0.00 0.09 -0.00 0.00 0.00 178.16 178.67 1d8a n ASN 157 N -4.44 0.00 -0.10 -2.11 3.02 -1.25 -2.13 115.26 108.25 1d8a n ASN 157 Ca 0.04 0.00 0.26 0.00 -0.03 0.00 0.00 54.58 54.86 1d8a n ASN 157 Cb 0.07 0.00 0.71 0.00 -0.61 0.00 0.00 39.78 39.95 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 0.38 -0.10 2.41 3.04 -1.88 0.29 116.25 120.39 1d8a h VAL 158 Ca 0.00 0.00 0.03 0.00 -1.01 0.00 0.00 66.70 65.72 1d8a h VAL 158 Cb 0.00 0.50 -0.00 0.00 -2.01 0.00 0.00 31.29 29.77 1d8a h VAL 158 CO 0.00 0.00 0.08 0.24 -1.01 0.00 0.00 177.57 176.88 1d8a h MET 159 N 0.00 0.00 0.06 4.17 2.86 -1.80 -1.45 114.93 118.77 1d8a h MET 159 Ca 0.36 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 58.00 1d8a h MET 159 Cb 1.70 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.36 1d8a h MET 159 CO -0.00 0.00 -0.03 0.78 1.06 0.00 0.00 176.91 178.72 1d8a h GLY 160 N 0.00 -0.08 1.06 8.32 0.00 -0.55 0.18 103.07 112.01 1d8a h GLY 160 Ca 0.05 0.03 -0.05 0.00 0.00 0.00 0.00 47.33 47.36 1d8a h GLY 160 CO -0.00 -0.03 0.30 1.41 0.00 0.00 0.00 176.54 178.22 1d8a h LEU 161 N -0.12 1.10 -0.82 3.11 4.07 -1.45 -0.44 115.31 120.76 1d8a h LEU 161 Ca -0.01 -0.18 -0.02 0.00 0.08 0.00 0.00 57.88 57.76 1d8a h LEU 161 Cb 0.10 -0.29 -0.04 0.00 1.08 0.00 0.00 40.66 41.51 1d8a h LEU 161 CO 0.01 0.98 0.45 0.00 -1.08 0.00 0.00 178.44 178.81 1d8a h ALA 162 N 1.17 1.05 -0.26 1.53 0.00 -0.94 0.07 119.26 121.88 1d8a h ALA 162 Ca 0.26 -0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.91 1d8a h ALA 162 Cb 0.24 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1d8a h ALA 162 CO -0.02 0.56 -0.41 0.87 0.00 0.00 0.00 179.25 180.25 1d8a h LYS 163 N 1.14 0.62 -0.68 0.00 1.79 -0.21 -0.80 116.57 118.44 1d8a h LYS 163 Ca 0.29 -0.32 -0.04 0.00 -2.18 0.00 0.00 60.65 58.39 1d8a h LYS 163 Cb 0.03 0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 30.66 1d8a h LYS 163 CO -0.05 0.92 0.25 0.00 -1.08 0.00 0.00 179.45 179.50 1d8a h ALA 164 N 1.04 0.89 -0.14 3.86 0.00 -0.56 0.89 119.26 125.25 1d8a h ALA 164 Ca 0.04 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1d8a h ALA 164 Cb 0.93 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1d8a h ALA 164 CO 0.08 0.53 0.03 1.03 0.00 0.00 0.00 179.25 180.92 1d8a h SER 165 N 0.98 0.21 -0.68 0.00 0.87 -0.77 -2.58 113.55 111.58 1d8a h SER 165 Ca 0.22 -0.24 0.12 0.00 -1.23 0.00 0.00 61.79 60.66 1d8a h SER 165 Cb 0.24 -0.06 -0.12 0.00 -0.44 0.00 0.00 62.40 62.02 1d8a h SER 165 CO -0.01 0.40 -0.35 0.25 -0.53 0.00 0.00 176.83 176.59 1d8a h LEU 166 N 0.01 -1.23 -1.43 2.23 6.46 -0.80 -0.82 115.31 119.74 1d8a h LEU 166 Ca 0.04 0.25 -0.05 0.00 -0.12 0.00 0.00 57.88 58.00 1d8a h LEU 166 Cb 0.27 0.62 -0.01 0.00 -0.73 0.00 0.00 40.66 40.81 1d8a h LEU 166 CO 0.00 -0.30 -0.18 -0.33 -0.62 0.00 0.00 178.44 177.01 1d8a h GLU 167 N -0.13 0.15 -0.02 1.25 5.08 -0.65 -2.20 114.58 118.07 1d8a h GLU 167 Ca 0.26 -0.04 -0.20 0.00 -1.00 0.00 0.00 59.36 58.38 1d8a h GLU 167 Cb 0.56 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 1d8a h GLU 167 CO -0.75 0.33 -0.85 0.00 -1.00 0.00 0.00 179.01 176.74 1d8a h ALA 168 N 1.68 0.50 -0.92 3.43 0.00 -1.06 -3.05 119.26 119.83 1d8a h ALA 168 Ca 0.03 -0.68 0.06 0.00 0.00 0.00 0.00 54.91 54.31 1d8a h ALA 168 Cb 0.41 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.09 1d8a h ALA 168 CO 0.03 0.84 0.60 -0.97 0.00 0.00 0.00 179.25 179.75 1d8a h ASN 169 N 0.19 0.95 -0.61 0.00 -0.73 -0.60 0.36 115.58 115.14 1d8a h ASN 169 Ca -0.05 0.00 -0.02 0.00 1.87 0.00 0.00 56.30 58.10 1d8a h ASN 169 Cb 1.47 -0.20 -0.03 0.00 0.27 0.00 0.00 38.32 39.83 1d8a h ASN 169 CO 0.14 0.62 0.31 0.58 -0.37 0.00 0.00 177.43 178.71 1d8a h VAL 170 N 1.08 1.21 -0.43 2.57 2.07 -1.31 0.62 116.25 122.06 1d8a h VAL 170 Ca 0.39 -0.56 -0.11 0.00 0.82 0.00 0.00 66.70 67.24 1d8a h VAL 170 Cb 0.15 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 1d8a h VAL 170 CO -0.14 0.23 -0.16 0.03 0.02 0.00 0.00 177.57 177.55 1d8a h ARG 171 N 0.83 0.87 -0.00 1.57 3.08 -1.28 0.39 114.38 119.84 1d8a h ARG 171 Ca 0.21 -0.36 -0.13 0.00 0.07 0.00 0.00 59.98 59.77 1d8a h ARG 171 Cb 0.09 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 1d8a h ARG 171 CO -0.03 1.00 -0.60 1.88 -1.07 0.00 0.00 179.97 181.15 1d8a h TYR 172 N 0.70 0.00 0.18 3.04 -1.99 -0.66 -2.14 116.97 116.10 1d8a h TYR 172 Ca 0.10 -0.00 -0.31 0.00 2.00 0.00 0.00 58.73 60.52 1d8a h TYR 172 Cb 0.72 -0.00 0.02 0.00 2.00 0.00 0.00 36.73 39.47 1d8a h TYR 172 CO 0.05 0.61 -1.39 0.52 -0.00 0.00 0.00 178.16 177.95 1d8a h MET 173 N 0.00 0.39 -0.52 4.88 2.86 0.41 -2.98 114.93 119.97 1d8a h MET 173 Ca -0.01 -0.67 -0.02 0.00 -2.06 0.00 0.00 59.70 56.94 1d8a h MET 173 Cb 1.07 0.25 -0.02 0.00 0.06 0.00 0.00 31.60 32.95 1d8a h MET 173 CO 0.08 1.31 0.23 0.00 1.06 0.00 0.00 176.91 179.59 1d8a h ALA 174 N 0.38 0.67 -0.43 6.32 0.00 -0.16 -1.85 119.26 124.19 1d8a h ALA 174 Ca -0.20 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.47 1d8a h ALA 174 Cb 2.07 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 19.63 1d8a h ALA 174 CO 0.23 0.26 -0.12 -0.97 0.00 0.00 0.00 179.25 178.65 1d8a h ASN 175 N 0.70 0.78 0.08 0.00 -0.00 -1.47 -1.25 115.58 114.42 1d8a h ASN 175 Ca 0.18 -0.24 -0.29 0.00 -0.00 0.00 0.00 56.30 55.95 1d8a h ASN 175 Cb 0.16 -0.21 0.03 0.00 -0.00 0.00 0.00 38.32 38.30 1d8a h ASN 175 CO -0.02 0.92 -1.17 0.00 -0.00 0.00 0.00 177.43 177.16 1d8a h ALA 176 N 1.15 0.03 -0.01 1.57 0.00 -1.37 -3.35 119.26 117.29 1d8a h ALA 176 Ca 0.12 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1d8a h ALA 176 Cb 0.61 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1d8a h ALA 176 CO 0.04 0.67 -0.51 -1.33 0.00 0.00 0.00 179.25 178.13 1d8a n MET 177 N -3.83 0.76 -0.02 0.00 2.81 -0.71 -4.43 117.12 111.71 1d8a n MET 177 Ca -0.13 -0.57 -0.09 0.00 -1.81 0.00 0.00 57.70 55.10 1d8a n MET 177 Cb 0.95 -1.49 -0.02 0.00 -0.71 0.00 0.00 33.22 31.95 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 4.91 -0.10 1.15 3.03 0.00 -1.28 -1.65 103.07 109.13 1d8a h GLY 178 Ca 0.00 0.23 0.07 0.00 0.00 0.00 0.00 47.33 47.64 1d8a h GLY 178 CO 0.00 -0.18 0.36 -2.55 0.00 0.00 0.00 176.54 174.17 1d8a h PRO 179 N -0.21 0.00 0.00 4.80 0.11 -1.80 0.38 132.00 135.27 1d8a h PRO 179 Ca 0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.23 1d8a h PRO 179 Cb 0.39 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.50 1d8a h PRO 179 CO -0.31 0.00 -0.38 0.39 -0.21 0.00 0.00 178.00 177.49 1d8a n GLU 180 N -3.52 0.18 -0.67 1.05 1.02 -0.66 -4.93 120.64 113.11 1d8a n GLU 180 Ca 0.04 0.08 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 1d8a n GLU 180 Cb 0.49 -1.64 0.00 0.00 -0.02 0.00 0.00 31.44 30.27 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 1.39 0.82 2.91 0.62 0.00 0.13 -4.70 105.19 106.37 1d8a n GLY 181 Ca 0.05 -0.18 -0.29 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.05 1.32 0.15 1.61 1.01 -0.97 -0.38 120.40 121.10 1d8a s VAL 182 Ca 0.00 -0.94 -0.21 0.00 0.00 0.00 0.00 61.98 60.83 1d8a s VAL 182 Cb 0.00 -1.56 -0.08 0.00 0.00 0.00 0.00 36.38 34.75 1d8a s VAL 182 CO 0.00 0.00 0.67 -0.13 0.00 0.00 0.00 175.10 175.65 1d8a s ARG 183 N 1.51 4.31 -0.12 2.72 0.52 -0.61 -3.61 118.95 123.68 1d8a s ARG 183 Ca -0.03 0.88 -0.01 0.00 -0.52 0.00 0.00 55.73 56.06 1d8a s ARG 183 Cb -0.17 -3.11 0.03 0.00 0.52 0.00 0.00 34.95 32.22 1d8a s ARG 183 CO -0.07 0.53 -0.05 0.08 0.02 0.00 0.00 175.30 175.81 1d8a s VAL 184 N -1.27 0.90 0.25 3.52 1.01 -1.26 -0.66 120.40 122.88 1d8a s VAL 184 Ca 0.36 -0.27 0.02 0.00 0.00 0.00 0.00 61.98 62.09 1d8a s VAL 184 Cb -0.19 -0.98 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 1d8a s VAL 184 CO 0.22 0.30 0.17 0.20 0.00 0.00 0.00 175.10 175.98 1d8a s ASN 185 N 1.75 0.83 -0.05 3.32 0.01 -0.80 0.46 114.94 120.46 1d8a s ASN 185 Ca 0.04 -1.51 -0.06 0.00 -0.71 0.00 0.00 52.86 50.62 1d8a s ASN 185 Cb -0.13 0.41 0.01 0.00 0.41 0.00 0.00 41.25 41.95 1d8a s ASN 185 CO -0.08 -0.89 0.17 0.00 -1.51 0.00 0.00 177.10 174.79 1d8a s ALA 186 N -3.86 -0.41 -0.21 0.60 0.00 0.62 -2.47 121.76 116.02 1d8a s ALA 186 Ca 0.39 0.34 -0.08 0.00 0.00 0.00 0.00 51.96 52.60 1d8a s ALA 186 Cb 0.06 -0.19 -0.04 0.00 0.00 0.00 0.00 23.12 22.95 1d8a s ALA 186 CO 0.17 -0.12 0.09 0.42 0.00 0.00 0.00 175.76 176.33 1d8a s ILE 187 N -0.28 4.94 -0.68 0.00 1.01 0.44 -1.88 121.20 124.75 1d8a s ILE 187 Ca -0.04 0.03 -0.16 0.00 0.00 0.00 0.00 60.65 60.48 1d8a s ILE 187 Cb -0.03 -3.26 0.17 0.00 0.01 0.00 0.00 42.46 39.35 1d8a s ILE 187 CO 0.01 0.41 0.66 -0.55 0.00 0.00 0.00 174.94 175.47 1d8a s SER 188 N 0.69 6.45 0.14 3.58 0.15 0.11 -0.47 113.70 124.35 1d8a s SER 188 Ca 0.05 -2.15 -0.16 0.00 0.70 0.00 0.00 55.95 54.39 1d8a s SER 188 Cb -0.13 -2.23 -0.07 0.00 -1.71 0.00 0.00 66.02 61.89 1d8a s SER 188 CO 0.02 -0.77 0.56 0.00 1.20 0.00 0.00 173.24 174.25 1d8a s ALA 189 N 1.14 3.57 1.14 5.45 0.00 -1.20 0.14 121.76 132.00 1d8a s ALA 189 Ca 0.11 -0.08 -0.10 0.00 0.00 0.00 0.00 51.96 51.90 1d8a s ALA 189 Cb -0.20 -2.57 0.15 0.00 0.00 0.00 0.00 23.12 20.50 1d8a s ALA 189 CO -0.02 0.43 0.46 0.41 0.00 0.00 0.00 175.76 177.04 1d8a n GLY 190 N 0.99 -2.94 3.75 0.00 0.00 -0.18 -4.65 105.19 102.15 1d8a n GLY 190 Ca -0.06 -1.41 -0.41 0.00 0.00 0.00 0.00 46.02 44.14 1d8a n GLY 190 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1d8a s PRO 191 N -4.06 4.53 0.10 1.61 0.02 -1.26 -4.94 135.00 131.00 1d8a s PRO 191 Ca 0.31 1.91 0.02 0.00 0.02 0.00 0.00 61.00 63.26 1d8a s PRO 191 Cb -0.04 -3.19 -0.04 0.00 0.02 0.00 0.00 34.50 31.26 1d8a s PRO 191 CO 0.24 0.03 -0.07 0.42 -0.33 0.00 0.00 177.00 177.29 1d8a s ILE 192 N -0.75 0.72 -0.96 2.83 1.01 -1.26 -4.40 121.20 118.38 1d8a s ILE 192 Ca 0.48 -1.85 -0.24 0.00 0.00 0.00 0.00 60.65 59.04 1d8a s ILE 192 Cb -0.34 -1.58 -0.07 0.00 0.01 0.00 0.00 42.46 40.49 1d8a s ILE 192 CO 0.42 -0.80 1.98 -0.60 0.00 0.00 0.00 174.94 175.94 1d8a s ARG 193 N -3.57 2.43 0.31 2.79 3.52 -1.26 -4.86 118.95 118.31 1d8a s ARG 193 Ca 0.10 -0.43 0.06 0.00 -0.13 0.00 0.00 55.73 55.33 1d8a s ARG 193 Cb 0.03 -5.08 -0.02 0.00 -1.56 0.00 0.00 34.95 28.32 1d8a s ARG 193 CO -0.04 -3.65 0.21 0.25 -0.81 0.00 0.00 175.30 171.26 1d8a n THR 194 N 7.96 0.00 0.05 4.11 -2.24 -1.26 -4.73 114.28 118.17 1d8a n THR 194 Ca 0.42 -2.10 -0.20 0.00 -2.27 0.00 0.00 64.05 59.90 1d8a n THR 194 Cb 0.47 0.97 -0.14 0.00 -2.10 0.00 0.00 70.33 69.53 1d8a n THR 194 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1d8a h LEU 195 N 0.00 0.53 -1.36 3.22 5.85 -1.91 -3.32 115.31 118.33 1d8a h LEU 195 Ca -0.22 -0.90 -0.03 0.00 0.84 0.00 0.00 57.88 57.56 1d8a h LEU 195 Cb 1.04 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.89 1d8a h LEU 195 CO 0.33 1.38 0.06 0.00 -0.34 0.00 0.00 178.44 179.87 1d8a h ALA 196 N 0.15 1.48 -0.16 1.25 0.00 -1.98 -2.30 119.26 117.71 1d8a h ALA 196 Ca -0.14 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.54 1d8a h ALA 196 Cb 1.61 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 1d8a h ALA 196 CO 0.16 0.38 -0.28 0.00 0.00 0.00 0.00 179.25 179.50 1d8a h ALA 197 N 1.59 1.23 0.00 0.00 0.00 -1.90 0.43 119.26 120.62 1d8a h ALA 197 Ca 0.11 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1d8a h ALA 197 Cb 0.22 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1d8a h ALA 197 CO -0.00 0.51 0.06 -1.13 0.00 0.00 0.00 179.25 178.69 1d8a n SER 198 N -4.13 0.23 -0.06 0.00 3.41 -0.87 -0.68 113.62 111.53 1d8a n SER 198 Ca -0.01 0.57 -0.15 0.00 -0.26 0.00 0.00 58.87 59.02 1d8a n SER 198 Cb 0.39 -0.59 -0.13 0.00 -0.26 0.00 0.00 64.21 63.62 1d8a n SER 198 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1d8a h GLY 199 N 0.00 0.04 -3.28 5.00 0.00 -0.18 -3.46 103.07 101.19 1d8a h GLY 199 Ca 0.00 -0.10 -0.52 0.00 0.00 0.00 0.00 47.33 46.72 1d8a h GLY 199 CO 0.00 0.09 0.56 -0.42 0.00 0.00 0.00 176.54 176.76 1d8a s ILE 200 N -2.31 2.89 0.44 2.60 -1.09 0.15 -4.96 121.20 118.91 1d8a s ILE 200 Ca -0.18 0.77 -0.25 0.00 -2.23 0.00 0.00 60.65 58.77 1d8a s ILE 200 Cb -0.02 -3.45 -0.08 0.00 -1.58 0.00 0.00 42.46 37.33 1d8a s ILE 200 CO 0.71 0.09 1.27 -1.59 -1.23 0.00 0.00 174.94 174.19 1d8a s LYS 201 N -2.25 3.79 -1.27 2.79 -2.85 -1.22 -3.22 119.74 115.51 1d8a s LYS 201 Ca 0.57 2.07 -0.01 0.00 -1.00 0.00 0.00 55.97 57.60 1d8a s LYS 201 Cb -0.34 -2.59 0.01 0.00 -2.06 0.00 0.00 37.83 32.84 1d8a s LYS 201 CO 0.44 -0.61 0.01 -0.25 0.10 0.00 0.00 175.35 175.04 1d8a n ASP 202 N -0.20 0.72 -0.17 0.03 9.92 -1.26 -4.82 116.55 120.77 1d8a n ASP 202 Ca 0.06 -1.04 -0.06 0.00 -0.53 0.00 0.00 54.79 53.21 1d8a n ASP 202 Cb 0.45 -1.30 0.10 0.00 -0.64 0.00 0.00 41.12 39.73 1d8a n ASP 202 CO 0.00 0.00 0.00 0.15 0.13 0.00 0.00 177.20 177.48 1d8a h PHE 203 N -1.26 1.01 -0.24 1.24 3.04 -1.82 -3.22 116.94 115.68 1d8a h PHE 203 Ca -0.54 -0.14 -0.08 0.00 3.98 0.00 0.00 57.97 61.20 1d8a h PHE 203 Cb 1.14 -0.28 -0.01 0.00 2.56 0.00 0.00 35.95 39.36 1d8a h PHE 203 CO 0.43 0.88 -0.18 0.00 -2.02 0.00 0.00 178.31 177.42 1d8a h ARG 204 N 0.89 0.43 -0.07 1.11 2.47 -1.89 -1.06 114.38 116.25 1d8a h ARG 204 Ca 0.17 -0.13 -0.14 0.00 -1.26 0.00 0.00 59.98 58.62 1d8a h ARG 204 Cb 0.45 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.71 1d8a h ARG 204 CO 0.02 0.59 -0.57 -0.22 0.56 0.00 0.00 179.97 180.35 1d8a h LYS 205 N 0.39 0.23 -0.35 0.04 3.11 -1.95 -2.87 116.57 115.17 1d8a h LYS 205 Ca 0.07 -0.15 0.08 0.00 -2.81 0.00 0.00 60.65 57.84 1d8a h LYS 205 Cb 0.54 0.02 -0.08 0.00 -1.00 0.00 0.00 32.23 31.71 1d8a h LYS 205 CO 0.04 0.74 -0.21 1.98 -2.81 0.00 0.00 179.45 179.18 1d8a h MET 206 N 0.17 -0.16 0.75 1.90 4.05 -1.24 -1.53 114.93 118.86 1d8a h MET 206 Ca -0.00 0.01 -0.03 0.00 -0.28 0.00 0.00 59.70 59.40 1d8a h MET 206 Cb 1.06 0.04 -0.00 0.00 -0.80 0.00 0.00 31.60 31.89 1d8a h MET 206 CO 0.09 -0.10 -0.47 1.25 0.23 0.00 0.00 176.91 177.91 1d8a h LEU 207 N -0.16 -1.18 -0.74 3.39 5.85 -1.38 -2.53 115.31 118.54 1d8a h LEU 207 Ca 0.18 0.07 0.16 0.00 0.84 0.00 0.00 57.88 59.12 1d8a h LEU 207 Cb 0.43 0.35 -0.11 0.00 0.37 0.00 0.00 40.66 41.70 1d8a h LEU 207 CO -0.45 -0.72 0.20 0.00 -0.34 0.00 0.00 178.44 177.14 1d8a h ALA 208 N -1.02 0.99 -0.29 1.25 0.00 -1.26 0.53 119.26 119.46 1d8a h ALA 208 Ca -0.10 0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1d8a h ALA 208 Cb 0.92 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1d8a h ALA 208 CO 0.09 -0.32 0.04 1.25 0.00 0.00 0.00 179.25 180.31 1d8a h HIS 209 N 0.29 0.43 0.01 0.00 -0.00 -1.26 -2.57 115.15 112.05 1d8a h HIS 209 Ca 0.42 -0.03 -0.21 0.00 -0.00 0.00 0.00 60.37 60.56 1d8a h HIS 209 Cb 0.72 -0.13 -0.01 0.00 -0.00 0.00 0.00 27.41 27.99 1d8a h HIS 209 CO -0.24 0.40 -0.92 0.00 -0.00 0.00 0.00 177.93 177.17 1d8a n GLU 211 N -3.66 0.24 0.00 0.00 0.28 -0.04 -1.90 120.64 115.56 1d8a n GLU 211 Ca -0.05 0.10 -0.02 0.00 -0.16 0.00 0.00 57.16 57.03 1d8a n GLU 211 Cb 0.83 -1.68 -0.11 0.00 1.43 0.00 0.00 31.44 31.91 1d8a n GLU 211 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1d8a n ALA 212 N -1.77 1.87 0.34 -1.84 0.00 -0.94 -3.69 120.51 114.48 1d8a n ALA 212 Ca 0.04 -0.68 0.04 0.00 0.00 0.00 0.00 53.44 52.85 1d8a n ALA 212 Cb 0.42 -0.82 0.04 0.00 0.00 0.00 0.00 19.45 19.09 1d8a n ALA 212 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1d8a n VAL 213 N -2.85 0.05 -2.80 0.00 3.14 -0.76 -4.98 118.33 110.14 1d8a n VAL 213 Ca -0.14 -0.53 -0.40 0.00 -2.96 0.00 0.00 64.34 60.31 1d8a n VAL 213 Cb 0.90 1.15 -0.05 0.00 -1.06 0.00 0.00 33.84 34.77 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 -0.76 4.43 0.13 1.55 2.01 -0.80 -4.90 115.64 117.30 1d8a s THR 214 Ca 0.11 1.97 -0.32 0.00 0.31 0.00 0.00 61.69 63.75 1d8a s THR 214 Cb 0.08 -4.27 -0.10 0.00 0.01 0.00 0.00 72.50 68.21 1d8a s THR 214 CO 0.11 0.39 1.54 -0.65 -0.69 0.00 0.00 174.62 175.32 1d8a h PRO 215 N 5.15 -0.33 0.00 4.92 0.11 -1.79 1.05 132.00 141.11 1d8a h PRO 215 Ca -0.44 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1d8a h PRO 215 Cb 1.21 0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1d8a h PRO 215 CO 0.70 -0.22 0.00 0.44 -0.21 0.00 0.00 178.00 178.71 1d8a n ILE 216 N -5.32 0.74 -2.79 4.15 -5.35 -1.23 -4.87 119.36 104.70 1d8a n ILE 216 Ca -0.03 0.19 -0.22 0.00 -0.27 0.00 0.00 62.75 62.42 1d8a n ILE 216 Cb 0.33 -1.03 0.02 0.00 -1.74 0.00 0.00 39.64 37.21 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 -1.27 -3.70 -3.53 6.28 5.12 0.36 -4.97 116.66 114.95 1d8a n ARG 217 Ca 0.05 0.95 -0.15 0.00 -1.93 0.00 0.00 57.85 56.76 1d8a n ARG 217 Cb 0.07 -5.74 -0.05 0.00 -1.16 0.00 0.00 32.46 25.58 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 -5.46 0.94 0.64 5.56 1.70 -1.24 -4.81 118.95 116.26 1d8a s ARG 218 Ca 0.19 0.18 -0.11 0.00 -0.47 0.00 0.00 55.73 55.52 1d8a s ARG 218 Cb -0.08 0.44 -0.03 0.00 -0.57 0.00 0.00 34.95 34.71 1d8a s ARG 218 CO 0.24 -0.30 1.04 0.95 -1.08 0.00 0.00 175.30 176.14 1d8a s THR 219 N -1.33 4.57 0.42 4.99 -4.23 -1.26 -4.84 115.64 113.95 1d8a s THR 219 Ca -0.08 0.84 -0.20 0.00 -1.18 0.00 0.00 61.69 61.07 1d8a s THR 219 Cb -0.00 -3.77 -0.11 0.00 1.34 0.00 0.00 72.50 69.96 1d8a s THR 219 CO 0.06 -1.09 0.93 0.68 -0.54 0.00 0.00 174.62 174.66 1d8a s VAL 220 N -3.15 4.42 0.36 2.29 -7.23 -1.26 -5.05 120.40 110.78 1d8a s VAL 220 Ca 0.56 1.43 0.07 0.00 -1.81 0.00 0.00 61.98 62.23 1d8a s VAL 220 Cb -0.12 -3.60 -0.01 0.00 0.56 0.00 0.00 36.38 33.21 1d8a s VAL 220 CO 0.54 -0.30 0.46 0.42 -0.31 0.00 0.00 175.10 175.91 1d8a s THR 221 N -2.15 3.61 -0.88 5.32 -4.23 -1.26 -4.73 115.64 111.31 1d8a s THR 221 Ca 0.61 -1.08 0.14 0.00 -1.18 0.00 0.00 61.69 60.18 1d8a s THR 221 Cb -0.09 -3.24 0.12 0.00 1.34 0.00 0.00 72.50 70.63 1d8a s THR 221 CO 0.14 -0.11 1.43 2.30 -0.54 0.00 0.00 174.62 177.84 1d8a n ILE 222 N -1.65 1.15 -0.05 2.99 -5.35 -1.26 -1.86 119.36 113.33 1d8a n ILE 222 Ca 0.02 0.31 -0.10 0.00 -0.27 0.00 0.00 62.75 62.71 1d8a n ILE 222 Cb 0.59 -1.14 -0.09 0.00 -1.74 0.00 0.00 39.64 37.25 1d8a n ILE 222 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 1d8a h GLU 223 N 0.00 -0.02 -0.82 6.28 3.07 -1.93 -0.02 114.58 121.15 1d8a h GLU 223 Ca 0.00 0.00 0.11 0.00 -0.50 0.00 0.00 59.36 58.97 1d8a h GLU 223 Cb 0.21 0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 28.05 1d8a h GLU 223 CO 0.00 0.66 0.45 -0.44 -1.40 0.00 0.00 179.01 178.28 1d8a h ASP 224 N -0.97 0.61 0.05 1.42 3.45 -1.78 0.19 116.42 119.38 1d8a h ASP 224 Ca -0.00 0.06 -0.15 0.00 0.43 0.00 0.00 57.03 57.36 1d8a h ASP 224 Cb 0.69 -0.05 -0.01 0.00 -0.56 0.00 0.00 39.33 39.40 1d8a h ASP 224 CO 0.00 0.32 -0.53 0.58 -1.57 0.00 0.00 179.24 178.05 1d8a h VAL 225 N 0.72 1.32 -0.27 -1.35 2.07 -1.46 -2.97 116.25 114.32 1d8a h VAL 225 Ca 0.41 -1.77 -0.02 0.00 0.82 0.00 0.00 66.70 66.13 1d8a h VAL 225 Cb 0.44 1.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.96 1d8a h VAL 225 CO -0.28 0.55 0.09 1.23 0.02 0.00 0.00 177.57 179.17 1d8a h GLY 226 N 1.09 0.45 0.91 2.17 0.00 0.72 -1.80 103.07 106.61 1d8a h GLY 226 Ca 0.01 -0.26 -0.02 0.00 0.00 0.00 0.00 47.33 47.06 1d8a h GLY 226 CO 0.10 0.25 0.11 3.43 0.00 0.00 0.00 176.54 180.42 1d8a h ASN 227 N 0.27 0.41 -0.74 0.19 2.35 -1.07 0.12 115.58 117.11 1d8a h ASN 227 Ca 0.09 -0.18 0.00 0.00 -0.55 0.00 0.00 56.30 55.66 1d8a h ASN 227 Cb 0.23 -0.11 -0.04 0.00 0.05 0.00 0.00 38.32 38.46 1d8a h ASN 227 CO -0.00 0.47 0.47 0.28 -1.65 0.00 0.00 177.43 177.00 1d8a h SER 228 N 0.32 0.86 -0.09 5.81 0.02 -1.52 -0.33 113.55 118.62 1d8a h SER 228 Ca 0.10 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 1d8a h SER 228 Cb 0.20 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.52 1d8a h SER 228 CO -0.01 0.64 0.00 0.00 -1.14 0.00 0.00 176.83 176.33 1d8a h ALA 229 N 1.51 0.12 0.04 3.77 0.00 -0.89 0.16 119.26 123.97 1d8a h ALA 229 Ca 0.27 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 55.04 1d8a h ALA 229 Cb -0.08 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 1d8a h ALA 229 CO -0.05 -0.21 -0.25 0.00 0.00 0.00 0.00 179.25 178.73 1d8a h ALA 230 N 0.75 -0.37 -0.39 0.00 0.00 -0.22 -1.10 119.26 117.93 1d8a h ALA 230 Ca 0.03 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.99 1d8a h ALA 230 Cb 0.33 0.43 -0.06 0.00 0.00 0.00 0.00 17.79 18.48 1d8a h ALA 230 CO 0.00 -0.76 0.03 0.35 0.00 0.00 0.00 179.25 178.86 1d8a h PHE 231 N -0.41 0.03 -0.06 0.00 3.04 -1.02 -1.23 116.94 117.28 1d8a h PHE 231 Ca 0.05 0.03 0.02 0.00 3.98 0.00 0.00 57.97 62.04 1d8a h PHE 231 Cb 0.47 0.05 -0.00 0.00 2.56 0.00 0.00 35.95 39.03 1d8a h PHE 231 CO -0.27 -0.05 0.07 -0.07 -2.02 0.00 0.00 178.31 175.97 1d8a h LEU 232 N 0.14 0.00 -0.55 0.59 3.38 -0.28 -1.19 115.31 117.40 1d8a h LEU 232 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1d8a h LEU 232 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1d8a h LEU 232 CO -0.30 0.00 -0.53 0.00 0.09 0.00 0.00 178.44 177.71 1d8a s SER 234 N -2.65 5.79 0.36 0.00 1.04 -0.45 -4.69 113.70 113.09 1d8a s SER 234 Ca 0.17 0.28 0.26 0.00 0.48 0.00 0.00 55.95 57.14 1d8a s SER 234 Cb 0.18 -1.49 1.25 0.00 0.10 0.00 0.00 66.02 66.06 1d8a s SER 234 CO 0.63 -0.74 1.78 0.44 0.98 0.00 0.00 173.24 176.33 1d8a h ASP 235 N 0.36 0.00 -0.21 7.02 3.32 -1.83 -2.27 116.42 122.80 1d8a h ASP 235 Ca -0.46 0.00 0.06 0.00 0.02 0.00 0.00 57.03 56.65 1d8a h ASP 235 Cb 1.26 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.80 1d8a h ASP 235 CO 0.57 0.00 0.20 -0.07 -1.72 0.00 0.00 179.24 178.22 1d8a h LEU 236 N 0.00 0.00 -3.60 1.55 4.07 -1.87 -0.86 115.31 114.60 1d8a h LEU 236 Ca 0.00 0.00 -0.30 0.00 0.08 0.00 0.00 57.88 57.66 1d8a h LEU 236 Cb 0.18 0.00 -0.18 0.00 1.08 0.00 0.00 40.66 41.74 1d8a h LEU 236 CO 0.00 0.00 0.20 -1.54 -1.08 0.00 0.00 178.44 176.02 1d8a n SER 237 N -3.98 3.01 0.12 -0.43 3.41 -0.85 -4.73 113.62 110.17 1d8a n SER 237 Ca 0.02 -3.70 0.19 0.00 -0.26 0.00 0.00 58.87 55.13 1d8a n SER 237 Cb 0.34 -0.71 0.71 0.00 -0.26 0.00 0.00 64.21 64.29 1d8a n SER 237 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1d8a h ALA 238 N 1.06 2.03 -0.01 7.33 0.00 -1.32 0.74 119.26 129.08 1d8a h ALA 238 Ca 0.38 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1d8a h ALA 238 Cb 2.13 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.94 1d8a h ALA 238 CO 0.66 -0.69 -0.17 0.41 0.00 0.00 0.00 179.25 179.46 1d8a n GLY 239 N -1.45 -0.56 3.45 0.00 0.00 -1.26 -4.89 105.19 100.49 1d8a n GLY 239 Ca 0.07 -0.38 -0.33 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.38 3.31 -0.21 -0.61 1.01 0.25 -5.08 121.20 117.49 1d8a s ILE 240 Ca 0.28 -0.59 -0.27 0.00 0.00 0.00 0.00 60.65 60.07 1d8a s ILE 240 Cb 0.20 -2.37 0.09 0.00 0.01 0.00 0.00 42.46 40.39 1d8a s ILE 240 CO 0.47 0.55 0.84 -0.55 0.00 0.00 0.00 174.94 176.24 1d8a s SER 241 N -0.11 -0.59 -0.71 3.58 0.15 -1.26 -4.75 113.70 110.00 1d8a s SER 241 Ca -0.00 0.98 0.00 0.00 0.70 0.00 0.00 55.95 57.62 1d8a s SER 241 Cb -0.13 0.93 0.00 0.00 -1.71 0.00 0.00 66.02 65.11 1d8a s SER 241 CO 0.03 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 174.77 1d8a n GLY 242 N 1.88 0.89 3.85 9.45 0.00 0.17 -4.96 105.19 116.47 1d8a n GLY 242 Ca -0.14 -0.65 -0.31 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.44 3.18 -0.59 1.61 2.56 -1.25 -4.67 118.70 117.09 1d8a s GLU 243 Ca 0.00 -0.56 0.04 0.00 0.00 0.00 0.00 54.97 54.45 1d8a s GLU 243 Cb 0.00 -2.89 0.16 0.00 2.00 0.00 0.00 34.13 33.40 1d8a s GLU 243 CO 0.00 0.59 0.41 0.08 -0.56 0.00 0.00 175.26 175.78 1d8a s VAL 244 N -1.45 2.08 0.02 3.70 1.01 -1.24 -0.28 120.40 124.23 1d8a s VAL 244 Ca 0.32 -3.62 -0.30 0.00 0.00 0.00 0.00 61.98 58.38 1d8a s VAL 244 Cb -0.13 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.82 1d8a s VAL 244 CO 0.25 -1.04 1.12 0.54 0.00 0.00 0.00 175.10 175.97 1d8a s VAL 245 N -0.80 4.37 -0.45 2.92 0.11 -0.79 -4.68 120.40 121.08 1d8a s VAL 245 Ca 0.25 1.70 -0.29 0.00 -2.93 0.00 0.00 61.98 60.72 1d8a s VAL 245 Cb -0.06 -4.09 0.03 0.00 -1.53 0.00 0.00 36.38 30.73 1d8a s VAL 245 CO -0.14 0.11 1.10 -1.00 -3.33 0.00 0.00 175.10 171.85 1d8a s HIS 246 N 1.19 2.87 -0.89 1.54 3.76 -1.26 0.05 115.29 122.55 1d8a s HIS 246 Ca 0.56 0.74 0.00 0.00 -0.15 0.00 0.00 55.06 56.21 1d8a s HIS 246 Cb -0.26 -4.28 0.29 0.00 1.11 0.00 0.00 32.58 29.44 1d8a s HIS 246 CO 0.28 -1.18 1.21 0.28 -0.85 0.00 0.00 174.74 174.47 1d8a n VAL 247 N 6.67 4.20 -2.66 -0.90 0.31 0.37 -4.70 118.33 121.62 1d8a n VAL 247 Ca 0.11 -5.67 -0.02 0.00 -0.01 0.00 0.00 64.34 58.75 1d8a n VAL 247 Cb 0.49 -2.02 0.05 0.00 -0.91 0.00 0.00 33.84 31.44 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 0.98 1.88 -1.89 4.52 3.85 -1.25 -1.02 116.55 123.62 1d8a n ASP 248 Ca 0.29 -2.26 -0.07 0.00 -0.71 0.00 0.00 54.79 52.04 1d8a n ASP 248 Cb 0.36 -0.44 -0.01 0.00 -1.35 0.00 0.00 41.12 39.68 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 -0.46 0.02 1.60 6.12 0.00 -1.26 -0.81 105.19 110.40 1d8a n GLY 249 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.42 0.52 0.24 -0.02 0.00 -1.26 -3.49 105.19 100.76 1d8a n GLY 250 Ca -0.07 -0.87 -0.08 0.00 0.00 0.00 0.00 46.02 45.00 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 0.00 0.81 0.00 1.61 3.04 -1.34 -3.08 116.94 117.98 1d8a h PHE 251 Ca 0.00 -0.05 -0.02 0.00 3.98 0.00 0.00 57.97 61.88 1d8a h PHE 251 Cb 0.04 -0.25 -0.00 0.00 2.56 0.00 0.00 35.95 38.30 1d8a h PHE 251 CO 0.00 0.64 -0.10 0.66 -2.02 0.00 0.00 178.31 177.50 1d8a h SER 252 N 0.74 0.00 -0.03 0.41 4.64 -1.94 -3.07 113.55 114.31 1d8a h SER 252 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1d8a h SER 252 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1d8a h SER 252 CO -0.02 0.10 0.00 2.30 -0.87 0.00 0.00 176.83 178.34 1d8a n ILE 253 N -3.39 0.02 -3.80 0.95 -6.64 -1.16 -4.92 119.36 100.42 1d8a n ILE 253 Ca -0.01 -0.23 -0.22 0.00 -1.77 0.00 0.00 62.75 60.52 1d8a n ILE 253 Cb 0.27 0.37 -0.05 0.00 -1.44 0.00 0.00 39.64 38.79 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 -1.98 3.84 -0.28 -1.28 0.00 -1.16 -5.14 121.76 115.76 1d8a s ALA 254 Ca 0.38 -1.88 -0.19 0.00 0.00 0.00 0.00 51.96 50.27 1d8a s ALA 254 Cb 0.21 -0.88 0.09 0.00 0.00 0.00 0.00 23.12 22.54 1d8a s ALA 254 CO 0.33 -0.13 0.79 0.00 0.00 0.00 0.00 175.76 176.75 1d8a s ALA 255 N -2.46 -1.94 -1.33 0.00 0.00 -1.26 -4.96 121.76 109.81 1d8a s ALA 255 Ca 0.44 2.23 -0.02 0.00 0.00 0.00 0.00 51.96 54.61 1d8a s ALA 255 Cb -0.02 -1.42 0.00 0.00 0.00 0.00 0.00 23.12 21.68 1d8a s ALA 255 CO 0.26 -0.35 0.23 -1.33 0.00 0.00 0.00 175.76 174.57 1d8a n MET 256 N 3.56 -2.53 0.00 0.00 2.81 -1.26 -4.82 117.12 114.88 1d8a n MET 256 Ca -0.17 0.77 0.00 0.00 -1.81 0.00 0.00 57.70 56.48 1d8a n MET 256 Cb 0.57 -5.21 0.00 0.00 -0.71 0.00 0.00 33.22 27.87 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 -1.38 0.03 0.00 7.83 5.03 -1.26 -5.25 115.26 120.26 1d8a n ASN 257 Ca -0.15 -0.58 0.00 0.00 0.87 0.00 0.00 54.58 54.72 1d8a n ASN 257 Cb 0.62 -0.01 0.00 0.00 -1.02 0.00 0.00 39.78 39.37 1d8a n ASN 257 CO 0.00 0.00 0.00 -1.84 -1.83 0.00 0.00 177.26 173.59