#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p8a n ALA 2 N 0.00 -2.56 -1.73 0.00 0.00 -1.26 -4.86 120.51 110.10 1p8a n ALA 2 Ca 0.00 -0.06 -0.42 0.00 0.00 0.00 0.00 53.44 52.96 1p8a n ALA 2 Cb 0.00 -2.40 -0.01 0.00 0.00 0.00 0.00 19.45 17.04 1p8a n ALA 2 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1p8a n GLU 3 N -2.47 2.47 0.00 0.00 0.00 -1.26 -5.00 120.64 114.39 1p8a n GLU 3 Ca -0.08 0.87 0.00 0.00 0.00 0.00 0.00 57.16 57.95 1p8a n GLU 3 Cb 0.56 -2.58 0.00 0.00 0.00 0.00 0.00 31.44 29.43 1p8a n GLU 3 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 1p8a n LYS 4 N 1.24 3.20 -3.91 3.44 3.00 -1.26 -5.08 118.16 118.79 1p8a n LYS 4 Ca 0.06 0.00 -0.10 0.00 -0.00 0.00 0.00 58.31 58.26 1p8a n LYS 4 Cb 0.36 0.00 -0.10 0.00 0.00 0.00 0.00 35.03 35.29 1p8a n LYS 4 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1p8a s LYS 5 N 0.00 0.44 0.00 1.64 1.02 -1.26 -4.93 119.74 116.65 1p8a s LYS 5 Ca 0.00 -0.49 0.00 0.00 0.02 0.00 0.00 55.97 55.50 1p8a s LYS 5 Cb 0.00 0.17 0.00 0.00 -0.52 0.00 0.00 37.83 37.48 1p8a s LYS 5 CO 0.00 -0.10 0.00 0.00 -0.92 0.00 0.00 175.35 174.33 1p8a n ALA 6 N 1.46 0.00 -2.80 5.17 0.00 -1.26 -0.21 120.51 122.87 1p8a n ALA 6 Ca -0.23 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 52.86 1p8a n ALA 6 Cb 0.55 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.92 1p8a n ALA 6 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1p8a s VAL 7 N 0.00 4.94 -1.19 0.00 1.01 -0.39 -1.45 120.40 123.32 1p8a s VAL 7 Ca 0.00 0.01 -0.14 0.00 0.00 0.00 0.00 61.98 61.85 1p8a s VAL 7 Cb 0.00 -3.19 0.17 0.00 0.00 0.00 0.00 36.38 33.36 1p8a s VAL 7 CO 0.00 0.52 1.42 -0.22 0.00 0.00 0.00 175.10 176.82 1p8a s LEU 8 N -0.19 5.03 -0.32 3.92 2.96 0.93 0.25 118.68 131.27 1p8a s LEU 8 Ca 0.08 -2.93 -0.28 0.00 -0.22 0.00 0.00 54.13 50.77 1p8a s LEU 8 Cb -0.12 -2.40 -0.02 0.00 0.50 0.00 0.00 46.19 44.15 1p8a s LEU 8 CO 0.01 -0.77 1.76 -0.36 -1.32 0.00 0.00 176.35 175.67 1p8a s PHE 9 N 1.68 1.87 0.07 5.38 0.08 0.22 -0.31 117.98 126.96 1p8a s PHE 9 Ca 0.42 0.61 0.03 0.00 0.12 0.00 0.00 56.93 58.10 1p8a s PHE 9 Cb -0.03 -4.13 -0.03 0.00 -0.57 0.00 0.00 43.02 38.26 1p8a s PHE 9 CO -0.00 -2.92 -0.08 0.08 -0.10 0.00 0.00 175.22 172.19 1p8a s VAL 10 N 6.61 0.69 0.18 -0.44 1.01 -0.04 -1.42 120.40 126.99 1p8a s VAL 10 Ca 0.78 -1.42 0.00 0.00 0.00 0.00 0.00 61.98 61.35 1p8a s VAL 10 Cb -0.22 -1.05 0.00 0.00 0.00 0.00 0.00 36.38 35.11 1p8a s VAL 10 CO 0.33 -0.53 0.00 0.00 0.00 0.00 0.00 175.10 174.90 1p8a n LEU 12 N -3.10 0.00 -0.02 0.00 -0.00 -1.26 -4.41 117.00 108.21 1p8a n LEU 12 Ca 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 56.01 56.15 1p8a n LEU 12 Cb 0.00 0.00 0.58 0.00 -0.00 0.00 0.00 43.42 44.00 1p8a n LEU 12 CO 0.00 0.00 0.87 0.61 -0.00 0.00 0.00 177.39 178.87 1p8a n GLY 13 N 0.00 -1.32 2.29 -3.96 0.00 -1.26 -4.32 105.19 96.62 1p8a n GLY 13 Ca 0.00 -0.18 -0.13 0.00 0.00 0.00 0.00 46.02 45.71 1p8a n GLY 13 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1p8a n ASN 14 N -1.36 -4.27 0.00 1.61 4.05 -1.26 -4.40 115.26 109.62 1p8a n ASN 14 Ca 0.09 0.07 0.00 0.00 0.45 0.00 0.00 54.58 55.20 1p8a n ASN 14 Cb 0.31 -3.33 0.00 0.00 1.23 0.00 0.00 39.78 37.99 1p8a n ASN 14 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 177.26 173.83 1p8a n ILE 15 N -3.66 0.00 -0.31 -1.44 5.41 -1.26 -4.29 119.36 113.81 1p8a n ILE 15 Ca -0.15 0.00 0.04 0.00 1.00 0.00 0.00 62.75 63.64 1p8a n ILE 15 Cb 0.57 -0.22 0.13 0.00 -0.71 0.00 0.00 39.64 39.42 1p8a n ILE 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1p8a s ARG 17 N -6.23 4.18 0.00 0.00 0.52 -1.26 -4.72 118.95 111.45 1p8a s ARG 17 Ca -0.15 -0.11 0.00 0.00 -0.52 0.00 0.00 55.73 54.96 1p8a s ARG 17 Cb 0.24 -3.46 0.00 0.00 0.52 0.00 0.00 34.95 32.26 1p8a s ARG 17 CO 0.76 0.21 0.00 0.43 0.02 0.00 0.00 175.30 176.72 1p8a n SER 18 N 3.77 0.00 0.17 0.23 7.64 -1.26 -4.87 113.62 119.31 1p8a n SER 18 Ca -0.14 0.00 0.04 0.00 1.01 0.00 0.00 58.87 59.78 1p8a n SER 18 Cb 0.52 0.00 0.27 0.00 -1.01 0.00 0.00 64.21 63.98 1p8a n SER 18 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1p8a h PRO 19 N 0.00 0.00 0.00 1.43 0.13 -1.85 -2.27 132.00 129.44 1p8a h PRO 19 Ca 0.00 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.95 1p8a h PRO 19 Cb 0.00 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.10 1p8a h PRO 19 CO 0.00 0.43 -1.85 0.00 -0.23 0.00 0.00 178.00 176.35 1p8a n ALA 20 N -2.29 1.91 -0.02 -0.56 0.00 -1.26 -4.02 120.51 114.27 1p8a n ALA 20 Ca 0.00 -0.74 -0.01 0.00 0.00 0.00 0.00 53.44 52.69 1p8a n ALA 20 Cb 0.56 -0.16 -0.01 0.00 0.00 0.00 0.00 19.45 19.84 1p8a n ALA 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1p8a h GLU 22 N -1.02 0.00 0.15 0.00 4.81 -1.68 -1.30 114.58 115.55 1p8a h GLU 22 Ca -0.01 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1p8a h GLU 22 Cb 0.08 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.46 1p8a h GLU 22 CO 0.01 0.00 -0.07 0.78 -0.73 0.00 0.00 179.01 179.00 1p8a h GLY 23 N 0.00 -0.21 0.28 1.92 0.00 -1.64 0.17 103.07 103.59 1p8a h GLY 23 Ca 0.13 0.08 0.13 0.00 0.00 0.00 0.00 47.33 47.66 1p8a h GLY 23 CO -0.00 -0.08 0.36 1.19 0.00 0.00 0.00 176.54 178.01 1p8a h ILE 24 N -0.94 0.74 -0.02 2.60 6.09 -0.65 0.11 117.51 125.43 1p8a h ILE 24 Ca -0.02 -0.19 -0.18 0.00 -1.37 0.00 0.00 64.86 63.10 1p8a h ILE 24 Cb 0.48 0.15 -0.01 0.00 0.47 0.00 0.00 36.82 37.90 1p8a h ILE 24 CO 0.03 0.10 -0.79 0.00 -3.07 0.00 0.00 178.15 174.43 1p8a h ARG 26 N 0.14 1.03 0.22 0.00 2.47 0.96 0.50 114.38 119.69 1p8a h ARG 26 Ca -0.03 -0.37 -0.31 0.00 -1.26 0.00 0.00 59.98 58.01 1p8a h ARG 26 Cb 1.38 -0.07 0.04 0.00 -1.65 0.00 0.00 29.97 29.66 1p8a h ARG 26 CO 0.12 1.06 -1.36 0.22 0.56 0.00 0.00 179.97 180.57 1p8a h ASP 27 N 0.92 0.81 -0.25 7.04 3.58 -0.86 0.44 116.42 128.11 1p8a h ASP 27 Ca 0.15 -0.91 -0.17 0.00 0.42 0.00 0.00 57.03 56.53 1p8a h ASP 27 Cb 0.65 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.44 1p8a h ASP 27 CO 0.04 1.66 -0.49 0.24 -2.88 0.00 0.00 179.24 177.81 1p8a h MET 28 N 0.11 0.77 -0.12 0.28 2.86 -1.12 -3.40 114.93 114.31 1p8a h MET 28 Ca -0.23 -0.50 -0.21 0.00 -2.06 0.00 0.00 59.70 56.70 1p8a h MET 28 Cb 2.06 0.06 -0.19 0.00 0.06 0.00 0.00 31.60 33.59 1p8a h MET 28 CO 0.26 1.12 -0.45 1.33 1.06 0.00 0.00 176.91 180.23 1p8a n VAL 29 N -4.11 0.18 0.31 -2.22 0.24 0.14 -4.93 118.33 107.94 1p8a n VAL 29 Ca -0.05 -1.55 0.20 0.00 -2.04 0.00 0.00 64.34 60.90 1p8a n VAL 29 Cb 0.59 0.99 1.06 0.00 -1.47 0.00 0.00 33.84 35.02 1p8a n VAL 29 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 1p8a h GLY 30 N 1.75 0.00 -2.22 7.63 0.00 0.30 -1.30 103.07 109.22 1p8a h GLY 30 Ca -0.32 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 46.93 1p8a h GLY 30 CO -0.05 0.00 0.11 1.22 0.00 0.00 0.00 176.54 177.82 1p8a n ASP 31 N -2.91 2.90 0.00 0.19 9.92 -1.26 -4.79 116.55 120.60 1p8a n ASP 31 Ca -0.03 -2.30 0.00 0.00 -0.53 0.00 0.00 54.79 51.93 1p8a n ASP 31 Cb 0.11 -0.56 0.00 0.00 -0.64 0.00 0.00 41.12 40.03 1p8a n ASP 31 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1p8a n LYS 32 N 0.15 0.00 0.00 -1.24 5.02 -0.49 -5.17 118.16 116.43 1p8a n LYS 32 Ca 0.11 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.40 1p8a n LYS 32 Cb 0.68 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.69 1p8a n LYS 32 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1p8a n LEU 33 N 0.00 0.00 0.00 -0.35 4.32 -1.26 -4.91 117.00 114.80 1p8a n LEU 33 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1p8a n LEU 33 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 1p8a n LEU 33 CO 0.00 0.00 0.00 2.30 -1.22 0.00 0.00 177.39 178.47 1p8a n ILE 34 N 0.00 0.00 -3.84 -0.08 -6.64 0.71 -4.77 119.36 104.74 1p8a n ILE 34 Ca 0.00 0.00 -0.35 0.00 -1.77 0.00 0.00 62.75 60.63 1p8a n ILE 34 Cb 0.00 -0.50 -0.13 0.00 -1.44 0.00 0.00 39.64 37.57 1p8a n ILE 34 CO 0.00 0.00 0.00 -0.63 -1.77 0.00 0.00 176.55 174.15 1p8a s ILE 35 N -0.86 3.12 -0.26 7.28 1.01 -1.26 -1.27 121.20 128.97 1p8a s ILE 35 Ca 0.00 -1.82 -0.04 0.00 0.00 0.00 0.00 60.65 58.79 1p8a s ILE 35 Cb 0.00 -3.03 0.09 0.00 0.01 0.00 0.00 42.46 39.53 1p8a s ILE 35 CO 0.00 -0.47 0.12 -1.81 0.00 0.00 0.00 174.94 172.78 1p8a s ASP 36 N 1.54 3.31 0.03 3.58 1.01 0.14 -4.79 116.67 121.48 1p8a s ASP 36 Ca 0.04 -1.16 -0.25 0.00 0.71 0.00 0.00 52.55 51.89 1p8a s ASP 36 Cb -0.21 -0.38 -0.05 0.00 1.01 0.00 0.00 42.92 43.29 1p8a s ASP 36 CO -0.03 -0.41 0.77 -0.44 0.21 0.00 0.00 175.17 175.26 1p8a s SER 37 N 2.06 7.19 0.18 0.27 0.01 -1.26 0.71 113.70 122.86 1p8a s SER 37 Ca 0.07 1.42 -0.09 0.00 1.31 0.00 0.00 55.95 58.67 1p8a s SER 37 Cb -0.16 -2.46 -0.01 0.00 0.21 0.00 0.00 66.02 63.59 1p8a s SER 37 CO -0.29 -0.01 0.31 0.00 0.41 0.00 0.00 173.24 173.65 1p8a s ALA 38 N 0.10 0.06 0.00 1.44 0.00 -0.50 -4.84 121.76 118.02 1p8a s ALA 38 Ca 0.39 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 51.39 1p8a s ALA 38 Cb -0.20 0.95 0.00 0.00 0.00 0.00 0.00 23.12 23.87 1p8a s ALA 38 CO 0.23 -0.68 0.00 0.00 0.00 0.00 0.00 175.76 175.30 1p8a n ALA 39 N -0.25 0.00 -1.54 0.00 0.00 -1.26 -3.81 120.51 113.65 1p8a n ALA 39 Ca -0.05 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.07 1p8a n ALA 39 Cb 0.63 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.01 1p8a n ALA 39 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1p8a n THR 40 N 0.00 -0.05 0.00 0.00 5.66 -1.26 -3.55 114.28 115.07 1p8a n THR 40 Ca 0.00 -0.61 0.00 0.00 -3.05 0.00 0.00 64.05 60.39 1p8a n THR 40 Cb 0.00 -2.16 0.00 0.00 -1.55 0.00 0.00 70.33 66.62 1p8a n THR 40 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1p8a n SER 41 N 15.24 0.00 0.00 1.09 2.88 -1.26 -5.00 113.62 126.57 1p8a n SER 41 Ca 0.45 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.99 1p8a n SER 41 Cb 0.43 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.89 1p8a n SER 41 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1p8a n GLY 42 N 0.00 1.44 5.36 0.46 0.00 -1.23 -4.86 105.19 106.35 1p8a n GLY 42 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1p8a n GLY 42 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1p8a n PHE 43 N 0.00 0.00 0.37 1.61 3.72 -1.26 -1.62 117.46 120.28 1p8a n PHE 43 Ca 0.00 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.44 1p8a n PHE 43 Cb 0.00 0.00 0.21 0.00 -0.94 0.00 0.00 39.48 38.75 1p8a n PHE 43 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 1p8a n HIS 44 N 0.00 0.00 -1.61 1.38 8.25 -1.26 -4.77 115.22 117.21 1p8a n HIS 44 Ca 0.00 0.00 -0.51 0.00 -0.26 0.00 0.00 57.72 56.95 1p8a n HIS 44 Cb 0.00 -0.39 -0.06 0.00 1.12 0.00 0.00 29.99 30.66 1p8a n HIS 44 CO 0.00 0.00 0.00 1.55 0.64 0.00 0.00 176.34 178.53 1p8a n VAL 45 N -1.39 0.01 0.00 1.59 3.14 -0.64 -0.15 118.33 120.88 1p8a n VAL 45 Ca 0.03 -0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.41 1p8a n VAL 45 Cb 0.09 -0.95 0.00 0.00 -1.06 0.00 0.00 33.84 31.92 1p8a n VAL 45 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1p8a n GLY 46 N 2.70 3.08 0.00 7.55 0.00 -1.26 -4.88 105.19 112.38 1p8a n GLY 46 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1p8a n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p8a n GLN 47 N -0.59 1.31 -0.90 1.61 10.64 0.78 -5.06 117.38 125.17 1p8a n GLN 47 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 1p8a n GLN 47 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 1p8a n GLN 47 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 1p8a n SER 48 N 0.00 -5.43 -4.58 2.61 3.41 -1.25 -4.60 113.62 103.78 1p8a n SER 48 Ca 0.00 0.68 -0.27 0.00 -0.26 0.00 0.00 58.87 59.02 1p8a n SER 48 Cb 0.00 -2.13 -0.06 0.00 -0.26 0.00 0.00 64.21 61.76 1p8a n SER 48 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1p8a s PRO 49 N -4.04 2.45 0.00 4.33 0.04 -1.26 -4.71 135.00 131.81 1p8a s PRO 49 Ca 0.00 -1.01 0.07 0.00 0.04 0.00 0.00 61.00 60.10 1p8a s PRO 49 Cb 0.00 -5.21 0.33 0.00 0.04 0.00 0.00 34.50 29.67 1p8a s PRO 49 CO 0.00 -3.95 1.23 -0.40 0.04 0.00 0.00 177.00 173.92 1p8a n ASP 50 N 14.53 0.50 0.16 6.66 5.75 -1.26 -3.52 116.55 139.37 1p8a n ASP 50 Ca 0.44 -1.87 0.03 0.00 -0.01 0.00 0.00 54.79 53.39 1p8a n ASP 50 Cb 0.47 -0.05 0.24 0.00 -1.03 0.00 0.00 41.12 40.74 1p8a n ASP 50 CO 0.00 0.00 0.00 0.74 -0.11 0.00 0.00 177.20 177.83 1p8a h THR 51 N 0.57 1.04 -0.02 2.12 2.02 -1.99 -1.45 112.91 115.20 1p8a h THR 51 Ca 0.00 -1.83 -0.03 0.00 0.77 0.00 0.00 66.41 65.32 1p8a h THR 51 Cb 0.13 2.08 0.00 0.00 -1.74 0.00 0.00 68.15 68.62 1p8a h THR 51 CO 0.00 0.46 -0.11 0.03 0.37 0.00 0.00 175.52 176.28 1p8a h ARG 52 N 0.00 0.11 -0.01 6.66 -0.00 -1.98 -0.07 114.38 119.09 1p8a h ARG 52 Ca -0.00 -0.09 -0.00 0.00 -0.50 0.00 0.00 59.98 59.39 1p8a h ARG 52 Cb 1.04 0.02 -0.00 0.00 0.00 0.00 0.00 29.97 31.03 1p8a h ARG 52 CO 0.06 0.75 0.01 0.66 0.00 0.00 0.00 179.97 181.45 1p8a h SER 53 N -0.51 0.02 -0.32 7.04 4.64 -1.77 -0.88 113.55 121.76 1p8a h SER 53 Ca -0.01 -0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 1p8a h SER 53 Cb 0.77 -0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.84 1p8a h SER 53 CO 0.02 0.17 0.21 1.56 -0.87 0.00 0.00 176.83 177.92 1p8a h GLN 54 N -0.14 0.43 0.04 4.77 1.08 -1.35 0.20 115.11 120.15 1p8a h GLN 54 Ca 0.00 -0.03 -0.00 0.00 -1.45 0.00 0.00 58.65 57.17 1p8a h GLN 54 Cb 0.16 -0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 27.49 1p8a h GLN 54 CO -0.00 0.30 -0.05 -0.22 -0.95 0.00 0.00 178.83 177.91 1p8a h LYS 55 N 0.43 -0.09 -1.04 1.46 3.64 -0.83 -0.82 116.57 119.32 1p8a h LYS 55 Ca 0.12 0.01 0.27 0.00 -1.27 0.00 0.00 60.65 59.77 1p8a h LYS 55 Cb -0.03 0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 31.73 1p8a h LYS 55 CO -0.02 -0.06 0.69 -0.24 -2.27 0.00 0.00 179.45 177.54 1p8a h VAL 56 N -0.09 0.53 -0.18 2.00 3.04 -1.15 0.20 116.25 120.60 1p8a h VAL 56 Ca -0.01 -0.11 0.04 0.00 -1.01 0.00 0.00 66.70 65.62 1p8a h VAL 56 Cb 0.08 0.18 -0.05 0.00 -2.01 0.00 0.00 31.29 29.50 1p8a h VAL 56 CO -0.01 0.06 -0.11 0.00 -1.01 0.00 0.00 177.57 176.50 1p8a h LYS 58 N -0.10 0.00 0.00 0.00 3.64 0.66 -0.13 116.57 120.64 1p8a h LYS 58 Ca 0.10 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1p8a h LYS 58 Cb 0.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 1p8a h LYS 58 CO -0.24 0.15 -0.18 0.45 -2.27 0.00 0.00 179.45 177.36 1p8a n SER 59 N -3.23 0.53 -0.00 4.20 2.88 0.05 -3.53 113.62 114.52 1p8a n SER 59 Ca 0.01 0.38 0.05 0.00 -1.33 0.00 0.00 58.87 57.97 1p8a n SER 59 Cb 0.44 -0.41 -0.06 0.00 -0.75 0.00 0.00 64.21 63.43 1p8a n SER 59 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1p8a n ASN 60 N -1.94 1.61 -0.26 -3.46 5.03 0.17 -5.03 115.26 111.37 1p8a n ASN 60 Ca 0.06 -0.36 0.00 0.00 0.87 0.00 0.00 54.58 55.14 1p8a n ASN 60 Cb 0.40 1.22 0.00 0.00 -1.02 0.00 0.00 39.78 40.37 1p8a n ASN 60 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1p8a n GLY 61 N 1.58 -0.29 3.62 7.41 0.00 -0.09 -5.07 105.19 112.34 1p8a n GLY 61 Ca 0.00 -0.77 -0.07 0.00 0.00 0.00 0.00 46.02 45.18 1p8a n GLY 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1p8a s VAL 62 N 0.00 0.00 -0.29 1.61 0.11 -1.12 -4.94 120.40 115.77 1p8a s VAL 62 Ca 0.00 0.00 -0.24 0.00 -2.93 0.00 0.00 61.98 58.81 1p8a s VAL 62 Cb 0.00 -1.00 -0.00 0.00 -1.53 0.00 0.00 36.38 33.85 1p8a s VAL 62 CO 0.00 0.00 0.80 -0.62 -3.33 0.00 0.00 175.10 171.95 1p8a s ASP 63 N -0.50 6.72 0.34 3.54 2.15 -1.26 -4.63 116.67 123.03 1p8a s ASP 63 Ca 0.03 0.78 0.03 0.00 0.43 0.00 0.00 52.55 53.83 1p8a s ASP 63 Cb -0.03 -2.42 -0.05 0.00 -0.30 0.00 0.00 42.92 40.13 1p8a s ASP 63 CO -0.05 -0.59 0.09 0.27 -0.17 0.00 0.00 175.17 174.72 1p8a s ILE 64 N 2.93 0.83 0.00 4.11 -4.36 -1.26 -3.70 121.20 119.75 1p8a s ILE 64 Ca 0.33 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.72 1p8a s ILE 64 Cb -0.14 -2.59 0.00 0.00 1.25 0.00 0.00 42.46 40.97 1p8a s ILE 64 CO 0.11 0.00 0.69 -1.54 0.24 0.00 0.00 174.94 174.44 1p8a n SER 65 N -0.88 -0.69 -1.58 4.36 3.41 -1.26 -5.13 113.62 111.85 1p8a n SER 65 Ca -0.03 -1.39 0.00 0.00 -0.26 0.00 0.00 58.87 57.19 1p8a n SER 65 Cb 0.66 0.21 0.00 0.00 -0.26 0.00 0.00 64.21 64.81 1p8a n SER 65 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1p8a n LYS 66 N 0.00 -3.96 0.00 4.33 4.76 -1.26 -5.08 118.16 116.95 1p8a n LYS 66 Ca -0.19 3.07 0.00 0.00 -2.87 0.00 0.00 58.31 58.32 1p8a n LYS 66 Cb 0.56 -3.87 0.00 0.00 -1.84 0.00 0.00 35.03 29.88 1p8a n LYS 66 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1p8a n GLN 67 N -2.55 0.00 -3.60 1.97 10.64 -1.26 -5.10 117.38 117.49 1p8a n GLN 67 Ca 0.00 0.00 -0.11 0.00 -1.83 0.00 0.00 57.00 55.06 1p8a n GLN 67 Cb 0.45 0.00 -0.00 0.00 -0.86 0.00 0.00 30.24 29.82 1p8a n GLN 67 CO 0.00 0.00 0.00 -2.13 -1.83 0.00 0.00 177.06 173.10 1p8a n ARG 68 N 0.00 0.79 -3.89 2.61 0.63 -1.26 -4.90 116.66 110.64 1p8a n ARG 68 Ca 0.00 -2.27 -0.36 0.00 -0.92 0.00 0.00 57.85 54.30 1p8a n ARG 68 Cb 0.00 2.43 -0.12 0.00 0.45 0.00 0.00 32.46 35.22 1p8a n ARG 68 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1p8a s ALA 69 N -2.34 3.16 -0.26 5.13 0.00 -1.26 -4.95 121.76 121.23 1p8a s ALA 69 Ca 0.21 -1.03 0.12 0.00 0.00 0.00 0.00 51.96 51.25 1p8a s ALA 69 Cb -0.02 -1.96 0.54 0.00 0.00 0.00 0.00 23.12 21.67 1p8a s ALA 69 CO 0.15 -0.29 1.50 2.89 0.00 0.00 0.00 175.76 180.01 1p8a n ARG 70 N 4.52 2.40 0.00 0.00 1.85 -1.26 -4.77 116.66 119.40 1p8a n ARG 70 Ca -0.16 -3.03 0.00 0.00 -1.00 0.00 0.00 57.85 53.65 1p8a n ARG 70 Cb 0.52 -1.88 0.00 0.00 -1.05 0.00 0.00 32.46 30.05 1p8a n ARG 70 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1p8a n GLN 71 N -0.84 0.00 -4.28 2.89 10.64 -1.26 -4.80 117.38 119.74 1p8a n GLN 71 Ca 0.31 0.00 -0.15 0.00 -1.83 0.00 0.00 57.00 55.33 1p8a n GLN 71 Cb 1.05 0.00 -0.10 0.00 -0.86 0.00 0.00 30.24 30.33 1p8a n GLN 71 CO 0.00 0.00 0.00 -1.50 -1.83 0.00 0.00 177.06 173.73 1p8a s ILE 72 N 0.00 0.84 0.00 -0.39 2.07 -1.26 -4.23 121.20 118.23 1p8a s ILE 72 Ca 0.00 -2.01 0.00 0.00 -1.41 0.00 0.00 60.65 57.23 1p8a s ILE 72 Cb 0.00 -2.22 0.00 0.00 0.13 0.00 0.00 42.46 40.37 1p8a s ILE 72 CO 0.00 -0.41 0.00 0.35 -1.91 0.00 0.00 174.94 172.97 1p8a n THR 73 N -0.32 0.00 0.00 4.00 -2.24 -1.26 -4.95 114.28 109.51 1p8a n THR 73 Ca -0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1p8a n THR 73 Cb 0.63 -0.41 0.00 0.00 -2.10 0.00 0.00 70.33 68.45 1p8a n THR 73 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1p8a n LYS 74 N -1.20 0.00 0.33 -0.78 2.85 -1.26 -4.91 118.16 113.19 1p8a n LYS 74 Ca 0.00 0.00 0.19 0.00 -1.05 0.00 0.00 58.31 57.45 1p8a n LYS 74 Cb 0.00 0.00 1.01 0.00 -0.65 0.00 0.00 35.03 35.39 1p8a n LYS 74 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1p8a h ALA 75 N 0.00 1.21 -1.46 0.58 0.00 -2.00 -2.44 119.26 115.15 1p8a h ALA 75 Ca 0.00 -0.00 0.42 0.00 0.00 0.00 0.00 54.91 55.33 1p8a h ALA 75 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.73 1p8a h ALA 75 CO 0.00 -0.18 1.19 0.38 0.00 0.00 0.00 179.25 180.64 1p8a h ASP 76 N 0.00 0.00 -0.26 0.00 3.04 -1.95 1.06 116.42 118.31 1p8a h ASP 76 Ca 0.01 0.00 -0.14 0.00 -3.24 0.00 0.00 57.03 53.66 1p8a h ASP 76 Cb 0.35 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 38.64 1p8a h ASP 76 CO -0.00 0.00 -0.38 -0.26 -2.04 0.00 0.00 179.24 176.56 1p8a h PHE 77 N 0.00 0.89 0.01 4.15 0.04 -1.74 -3.19 116.94 117.09 1p8a h PHE 77 Ca 0.69 -0.30 -0.39 0.00 2.80 0.00 0.00 57.97 60.78 1p8a h PHE 77 Cb 3.07 -0.17 -0.06 0.00 2.20 0.00 0.00 35.95 40.99 1p8a h PHE 77 CO 0.00 1.07 -2.14 0.43 -0.60 0.00 0.00 178.31 177.07 1p8a n SER 78 N -4.20 1.94 -0.11 2.17 7.64 0.29 -4.21 113.62 117.14 1p8a n SER 78 Ca -0.05 0.31 0.26 0.00 1.01 0.00 0.00 58.87 60.40 1p8a n SER 78 Cb 0.53 -0.83 0.55 0.00 -1.01 0.00 0.00 64.21 63.45 1p8a n SER 78 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1p8a h LYS 79 N -0.85 0.00 0.00 1.43 1.63 0.50 -3.41 116.57 115.87 1p8a h LYS 79 Ca -0.58 0.00 -0.55 0.00 -0.85 0.00 0.00 60.65 58.68 1p8a h LYS 79 Cb 1.58 0.00 -0.13 0.00 -0.60 0.00 0.00 32.23 33.08 1p8a h LYS 79 CO -0.31 0.00 -0.48 1.19 -3.45 0.00 0.00 179.45 176.41 1p8a n PHE 80 N -3.40 -0.11 0.00 1.91 3.72 -1.21 -4.88 117.46 113.49 1p8a n PHE 80 Ca 0.18 -2.72 0.00 0.00 -0.05 0.00 0.00 57.45 54.86 1p8a n PHE 80 Cb 1.23 0.07 0.00 0.00 -0.94 0.00 0.00 39.48 39.84 1p8a n PHE 80 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1p8a n ASP 81 N -1.55 4.71 -4.12 4.37 -0.08 -1.01 -4.77 116.55 114.10 1p8a n ASP 81 Ca -0.02 0.00 -0.21 0.00 -1.51 0.00 0.00 54.79 53.04 1p8a n ASP 81 Cb 0.62 0.50 -0.14 0.00 2.34 0.00 0.00 41.12 44.44 1p8a n ASP 81 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1p8a s VAL 82 N -1.94 1.11 -0.10 5.18 0.11 -0.53 -2.16 120.40 122.08 1p8a s VAL 82 Ca 0.00 -0.77 0.01 0.00 -2.93 0.00 0.00 61.98 58.30 1p8a s VAL 82 Cb 0.00 -0.96 -0.02 0.00 -1.53 0.00 0.00 36.38 33.87 1p8a s VAL 82 CO 0.00 0.19 -0.13 -0.63 -3.33 0.00 0.00 175.10 171.20 1p8a s ILE 83 N -0.54 3.11 -0.21 7.04 1.01 0.35 -0.05 121.20 131.92 1p8a s ILE 83 Ca 0.04 -0.67 -0.04 0.00 0.00 0.00 0.00 60.65 59.98 1p8a s ILE 83 Cb -0.06 -2.27 -0.01 0.00 0.01 0.00 0.00 42.46 40.12 1p8a s ILE 83 CO 0.00 0.55 -0.04 0.00 0.00 0.00 0.00 174.94 175.46 1p8a s ALA 84 N -0.11 2.87 -0.12 9.38 0.00 0.58 -0.42 121.76 133.92 1p8a s ALA 84 Ca -0.01 -1.09 -0.05 0.00 0.00 0.00 0.00 51.96 50.81 1p8a s ALA 84 Cb -0.14 -1.68 -0.04 0.00 0.00 0.00 0.00 23.12 21.26 1p8a s ALA 84 CO 0.03 -0.28 0.06 0.00 0.00 0.00 0.00 175.76 175.57 1p8a s ALA 85 N 1.23 3.48 -1.00 0.00 0.00 0.91 -0.86 121.76 125.52 1p8a s ALA 85 Ca 0.03 -0.74 0.14 0.00 0.00 0.00 0.00 51.96 51.38 1p8a s ALA 85 Cb -0.14 -1.74 0.41 0.00 0.00 0.00 0.00 23.12 21.65 1p8a s ALA 85 CO -0.01 0.48 1.34 -0.11 0.00 0.00 0.00 175.76 177.47 1p8a n LEU 86 N 2.49 3.33 -3.99 0.00 7.94 0.12 -1.11 117.00 125.79 1p8a n LEU 86 Ca -0.18 -2.16 -0.11 0.00 -1.11 0.00 0.00 56.01 52.45 1p8a n LEU 86 Cb 0.54 -0.33 -0.03 0.00 0.53 0.00 0.00 43.42 44.12 1p8a n LEU 86 CO 0.31 0.77 0.23 -1.81 -1.11 0.00 0.00 177.39 175.78 1p8a s ASP 87 N -1.10 0.26 -0.12 1.96 1.01 -1.26 -4.44 116.67 112.97 1p8a s ASP 87 Ca 0.31 -1.14 -0.07 0.00 0.71 0.00 0.00 52.55 52.36 1p8a s ASP 87 Cb 0.18 0.66 -0.06 0.00 1.01 0.00 0.00 42.92 44.72 1p8a s ASP 87 CO 0.18 -1.29 0.11 1.56 0.21 0.00 0.00 175.17 175.93 1p8a h GLN 88 N 2.15 0.00 -0.42 8.23 1.08 -1.93 -3.28 115.11 120.94 1p8a h GLN 88 Ca -0.28 0.00 0.09 0.00 -1.45 0.00 0.00 58.65 57.01 1p8a h GLN 88 Cb 1.25 0.00 -0.09 0.00 -0.05 0.00 0.00 27.48 28.59 1p8a h GLN 88 CO 0.37 0.21 -0.18 0.66 -0.95 0.00 0.00 178.83 178.93 1p8a h SER 89 N -1.00 -0.63 -0.74 1.46 4.64 -1.97 -0.67 113.55 114.63 1p8a h SER 89 Ca -0.02 0.15 0.14 0.00 -0.47 0.00 0.00 61.79 61.60 1p8a h SER 89 Cb 0.31 0.35 -0.14 0.00 -0.31 0.00 0.00 62.40 62.61 1p8a h SER 89 CO -0.01 -0.22 -0.23 -0.29 -0.87 0.00 0.00 176.83 175.21 1p8a h ILE 90 N -0.10 0.20 0.54 0.95 2.10 -1.83 0.38 117.51 119.74 1p8a h ILE 90 Ca 0.21 0.00 -0.03 0.00 1.08 0.00 0.00 64.86 66.12 1p8a h ILE 90 Cb 0.42 0.20 0.01 0.00 -1.09 0.00 0.00 36.82 36.35 1p8a h ILE 90 CO -0.49 0.00 -0.26 0.25 -1.08 0.00 0.00 178.15 176.57 1p8a h LEU 91 N -0.04 -0.61 -1.83 2.19 5.85 -1.23 -0.77 115.31 118.87 1p8a h LEU 91 Ca 0.34 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 59.04 1p8a h LEU 91 Cb 0.56 0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.75 1p8a h LEU 91 CO -0.78 -0.37 0.25 -1.28 -0.34 0.00 0.00 178.44 175.93 1p8a h SER 92 N -0.81 0.00 0.00 1.25 0.87 0.03 -1.35 113.55 113.53 1p8a h SER 92 Ca -0.07 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 1p8a h SER 92 Cb 0.59 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.55 1p8a h SER 92 CO 0.12 0.00 -0.02 0.44 -0.53 0.00 0.00 176.83 176.84 1p8a h ASP 93 N 0.00 0.00 -0.48 6.23 5.19 0.74 -3.16 116.42 124.95 1p8a h ASP 93 Ca 0.00 0.00 0.09 0.00 -0.62 0.00 0.00 57.03 56.50 1p8a h ASP 93 Cb 0.51 0.00 -0.10 0.00 0.18 0.00 0.00 39.33 39.92 1p8a h ASP 93 CO 0.00 0.05 -0.28 0.40 -3.12 0.00 0.00 179.24 176.29 1p8a h ILE 94 N -0.07 0.27 0.00 0.35 2.04 -1.01 1.41 117.51 120.49 1p8a h ILE 94 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1p8a h ILE 94 Cb 0.02 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 36.37 1p8a h ILE 94 CO 0.00 0.00 0.03 -1.13 0.00 0.00 0.00 178.15 177.05 1p8a h ASN 95 N -0.17 0.00 0.23 1.72 -1.24 -1.45 0.83 115.58 115.50 1p8a h ASN 95 Ca 0.21 0.00 -0.32 0.00 0.71 0.00 0.00 56.30 56.90 1p8a h ASN 95 Cb 0.51 0.00 0.03 0.00 0.73 0.00 0.00 38.32 39.59 1p8a h ASN 95 CO -0.58 0.00 -1.43 -1.28 -1.29 0.00 0.00 177.43 172.86 1p8a h SER 96 N 0.00 0.77 0.97 1.15 0.87 0.19 -3.33 113.55 114.17 1p8a h SER 96 Ca 0.00 -0.93 -0.17 0.00 -1.23 0.00 0.00 61.79 59.46 1p8a h SER 96 Cb 0.07 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 61.75 1p8a h SER 96 CO 0.00 1.68 -1.10 0.00 -0.53 0.00 0.00 176.83 176.88 1p8a h MET 97 N 0.07 0.00 -6.13 2.24 -0.00 -0.51 -3.47 114.93 107.12 1p8a h MET 97 Ca -0.25 0.00 -0.65 0.00 -0.00 0.00 0.00 59.70 58.79 1p8a h MET 97 Cb 2.09 0.00 0.11 0.00 -0.00 0.00 0.00 31.60 33.80 1p8a h MET 97 CO 0.25 0.51 -0.33 1.63 -0.00 0.00 0.00 176.91 178.97 1p8a n LYS 98 N -3.10 0.38 0.00 -0.10 5.02 0.16 -4.95 118.16 115.58 1p8a n LYS 98 Ca -0.05 0.13 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 1p8a n LYS 98 Cb 0.86 -1.25 0.00 0.00 -0.02 0.00 0.00 35.03 34.61 1p8a n LYS 98 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1p8a n PRO 99 N 0.95 0.75 0.00 1.97 -0.04 -1.26 -4.97 135.00 132.39 1p8a n PRO 99 Ca 0.16 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.71 1p8a n PRO 99 Cb 0.26 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 33.72 1p8a n PRO 99 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1p8a n SER 100 N -0.45 1.89 -3.29 3.54 2.88 -1.26 -4.87 113.62 112.06 1p8a n SER 100 Ca 0.00 -1.45 -0.03 0.00 -1.33 0.00 0.00 58.87 56.07 1p8a n SER 100 Cb 0.00 0.46 -0.05 0.00 -0.75 0.00 0.00 64.21 63.87 1p8a n SER 100 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1p8a s ASN 101 N -2.20 -0.61 0.00 -3.46 2.20 -1.26 -5.16 114.94 104.45 1p8a s ASN 101 Ca 0.16 0.64 0.00 0.00 -0.94 0.00 0.00 52.86 52.72 1p8a s ASN 101 Cb 0.16 1.68 0.00 0.00 -2.00 0.00 0.00 41.25 41.09 1p8a s ASN 101 CO 0.49 -0.27 0.00 0.00 -2.94 0.00 0.00 177.10 174.37 1p8a n ARG 103 N 0.00 0.95 -3.70 0.00 0.00 -1.26 -5.07 116.66 107.58 1p8a n ARG 103 Ca 0.00 -2.73 -0.12 0.00 -0.00 0.00 0.00 57.85 55.00 1p8a n ARG 103 Cb 0.00 -0.85 -0.07 0.00 -0.00 0.00 0.00 32.46 31.54 1p8a n ARG 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1p8a s ALA 104 N -1.70 -0.87 0.31 2.89 0.00 -1.26 -4.73 121.76 116.39 1p8a s ALA 104 Ca 0.36 0.18 0.10 0.00 0.00 0.00 0.00 51.96 52.60 1p8a s ALA 104 Cb 0.38 0.34 -0.05 0.00 0.00 0.00 0.00 23.12 23.79 1p8a s ALA 104 CO -0.11 -0.44 -0.09 0.15 0.00 0.00 0.00 175.76 175.27 1p8a s LYS 105 N -2.53 1.91 -0.12 0.00 1.02 -0.92 -4.98 119.74 114.13 1p8a s LYS 105 Ca -0.05 -1.74 0.01 0.00 0.02 0.00 0.00 55.97 54.21 1p8a s LYS 105 Cb -0.01 -1.86 -0.01 0.00 -0.52 0.00 0.00 37.83 35.43 1p8a s LYS 105 CO -0.03 0.25 -0.17 0.08 -0.92 0.00 0.00 175.35 174.56 1p8a s VAL 106 N -2.50 2.71 0.22 3.17 1.01 -1.26 -0.49 120.40 123.25 1p8a s VAL 106 Ca 0.32 -0.78 0.04 0.00 0.00 0.00 0.00 61.98 61.56 1p8a s VAL 106 Cb -0.03 -2.11 -0.05 0.00 0.00 0.00 0.00 36.38 34.19 1p8a s VAL 106 CO 0.17 0.54 -0.04 -0.69 0.00 0.00 0.00 175.10 175.08 1p8a s VAL 107 N 0.34 1.15 -0.15 2.92 1.01 0.43 -4.94 120.40 121.17 1p8a s VAL 107 Ca -0.14 -2.06 -0.04 0.00 0.00 0.00 0.00 61.98 59.75 1p8a s VAL 107 Cb -0.17 -2.23 -0.03 0.00 0.00 0.00 0.00 36.38 33.95 1p8a s VAL 107 CO 0.07 -0.43 -0.02 -0.22 0.00 0.00 0.00 175.10 174.50 1p8a s LEU 108 N -3.29 3.35 -0.05 3.92 0.20 -1.26 -0.06 118.68 121.48 1p8a s LEU 108 Ca 0.26 -0.08 -0.08 0.00 0.69 0.00 0.00 54.13 54.92 1p8a s LEU 108 Cb 0.05 -1.81 -0.04 0.00 -0.43 0.00 0.00 46.19 43.96 1p8a s LEU 108 CO 0.07 0.19 0.38 0.15 -0.29 0.00 0.00 176.35 176.85 1p8a h PHE 109 N 6.52 -0.27 -3.63 5.38 3.57 -1.46 -3.46 116.94 123.59 1p8a h PHE 109 Ca -0.34 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.03 1p8a h PHE 109 Cb 1.19 0.09 -0.06 0.00 2.79 0.00 0.00 35.95 39.95 1p8a h PHE 109 CO 0.54 -0.17 -0.02 -0.80 -2.23 0.00 0.00 178.31 175.63 1p8a s ASN 110 N -4.68 0.31 1.03 0.41 -0.87 -1.26 -5.03 114.94 104.85 1p8a s ASN 110 Ca -0.04 -1.18 -0.16 0.00 -1.57 0.00 0.00 52.86 49.91 1p8a s ASN 110 Cb 0.00 0.69 0.21 0.00 -0.02 0.00 0.00 41.25 42.14 1p8a s ASN 110 CO 0.13 -1.35 1.20 -2.16 -2.57 0.00 0.00 177.10 172.34 1p8a s PRO 111 N -3.21 0.11 0.00 -0.60 0.04 -1.26 -4.47 135.00 125.61 1p8a s PRO 111 Ca 0.23 -0.11 0.11 0.00 0.04 0.00 0.00 61.00 61.27 1p8a s PRO 111 Cb -0.02 -1.76 0.66 0.00 0.04 0.00 0.00 34.50 33.42 1p8a s PRO 111 CO 0.14 -2.82 1.18 -0.35 0.04 0.00 0.00 177.00 175.19 1p8a n PRO 112 N -4.12 0.67 0.00 0.56 -0.04 -1.26 -2.42 135.00 128.39 1p8a n PRO 112 Ca 0.12 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.64 1p8a n PRO 112 Cb 0.59 -1.26 0.03 0.00 -0.04 0.00 0.00 33.50 32.83 1p8a n PRO 112 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1p8a n ASN 113 N -0.76 1.69 0.00 3.54 3.02 -1.26 -4.76 115.26 116.73 1p8a n ASN 113 Ca 0.08 -1.35 0.00 0.00 -0.03 0.00 0.00 54.58 53.29 1p8a n ASN 113 Cb 0.04 0.15 0.00 0.00 -0.61 0.00 0.00 39.78 39.36 1p8a n ASN 113 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1p8a n GLY 114 N 0.70 1.12 3.31 7.41 0.00 -1.02 -4.90 105.19 111.82 1p8a n GLY 114 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 1p8a n GLY 114 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1p8a n VAL 115 N 0.00 2.36 -3.69 1.61 0.31 -1.26 -4.61 118.33 113.06 1p8a n VAL 115 Ca 0.00 -2.28 -0.13 0.00 -0.01 0.00 0.00 64.34 61.92 1p8a n VAL 115 Cb 0.00 -2.30 -0.09 0.00 -0.91 0.00 0.00 33.84 30.54 1p8a n VAL 115 CO 0.00 0.00 0.00 1.51 -1.32 0.00 0.00 176.83 177.02 1p8a s ASP 116 N 5.24 -0.58 -0.31 4.52 1.47 -1.26 -4.81 116.67 120.93 1p8a s ASP 116 Ca 0.60 1.10 -0.04 0.00 1.18 0.00 0.00 52.55 55.40 1p8a s ASP 116 Cb 0.07 1.10 0.04 0.00 -0.34 0.00 0.00 42.92 43.79 1p8a s ASP 116 CO 0.10 -0.19 0.03 -1.81 0.68 0.00 0.00 175.17 173.98 1p8a s ASP 117 N 0.43 4.98 0.00 2.11 1.11 -1.26 -3.82 116.67 120.21 1p8a s ASP 117 Ca -0.01 -1.15 0.00 0.00 0.18 0.00 0.00 52.55 51.57 1p8a s ASP 117 Cb -0.04 -1.77 0.00 0.00 1.07 0.00 0.00 42.92 42.18 1p8a s ASP 117 CO -0.01 -0.26 0.00 -0.81 1.18 0.00 0.00 175.17 175.27 1p8a n PRO 118 N 4.70 0.00 -3.59 8.23 -0.04 -1.26 -4.83 135.00 138.22 1p8a n PRO 118 Ca -0.13 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.21 1p8a n PRO 118 Cb 0.44 -0.16 -0.06 0.00 -0.04 0.00 0.00 33.50 33.68 1p8a n PRO 118 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1p8a s TYR 119 N 0.00 -0.46 0.00 0.54 5.04 -1.26 -5.07 117.35 116.14 1p8a s TYR 119 Ca 0.00 0.91 0.00 0.00 -2.44 0.00 0.00 57.07 55.54 1p8a s TYR 119 Cb 0.00 0.41 0.00 0.00 0.35 0.00 0.00 41.96 42.72 1p8a s TYR 119 CO 0.00 -0.35 0.00 0.98 -1.34 0.00 0.00 175.55 174.84 1p8a n TYR 120 N 1.27 0.00 -1.57 4.97 9.36 -1.26 -4.31 117.16 125.62 1p8a n TYR 120 Ca -0.12 0.00 -0.61 0.00 3.32 0.00 0.00 57.90 60.49 1p8a n TYR 120 Cb 0.57 0.01 -0.09 0.00 -0.63 0.00 0.00 39.34 39.19 1p8a n TYR 120 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 1p8a n SER 121 N -1.55 1.49 -2.37 2.98 7.64 -1.26 -4.87 113.62 115.68 1p8a n SER 121 Ca 0.00 0.93 -0.08 0.00 1.01 0.00 0.00 58.87 60.73 1p8a n SER 121 Cb 0.00 -1.00 0.00 0.00 -1.01 0.00 0.00 64.21 62.21 1p8a n SER 121 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1p8a n SER 122 N 5.98 -1.39 -0.51 6.43 7.64 -1.26 -4.98 113.62 125.52 1p8a n SER 122 Ca 0.38 -2.26 0.02 0.00 1.01 0.00 0.00 58.87 58.01 1p8a n SER 122 Cb 0.03 2.40 0.02 0.00 -1.01 0.00 0.00 64.21 65.65 1p8a n SER 122 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1p8a n ASP 123 N -1.54 0.42 -0.04 6.43 8.00 -1.26 -4.79 116.55 123.77 1p8a n ASP 123 Ca -0.03 -2.18 0.03 0.00 0.71 0.00 0.00 54.79 53.32 1p8a n ASP 123 Cb 0.43 -0.24 -0.16 0.00 -0.02 0.00 0.00 41.12 41.13 1p8a n ASP 123 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1p8a n GLY 124 N -0.18 -1.02 0.40 0.44 0.00 -1.25 -3.97 105.19 99.61 1p8a n GLY 124 Ca 0.03 -0.44 -0.09 0.00 0.00 0.00 0.00 46.02 45.52 1p8a n GLY 124 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1p8a h PHE 125 N 0.00 -1.40 -0.19 1.61 0.04 -1.87 1.78 116.94 116.90 1p8a h PHE 125 Ca -0.19 0.09 -0.11 0.00 2.80 0.00 0.00 57.97 60.56 1p8a h PHE 125 Cb 1.45 0.70 -0.00 0.00 2.20 0.00 0.00 35.95 40.30 1p8a h PHE 125 CO 0.00 -0.42 -0.29 -1.00 -0.60 0.00 0.00 178.31 176.00 1p8a h PRO 126 N -0.20 0.54 0.00 1.51 0.13 -1.93 -3.00 132.00 129.04 1p8a h PRO 126 Ca 0.18 -0.32 -0.01 0.00 -0.87 0.00 0.00 66.00 64.98 1p8a h PRO 126 Cb 0.55 0.03 -0.00 0.00 0.13 0.00 0.00 31.00 31.71 1p8a h PRO 126 CO -0.74 0.92 -0.05 1.15 -0.23 0.00 0.00 178.00 179.05 1p8a h THR 127 N 0.20 0.78 0.00 1.56 2.02 -1.35 0.19 112.91 116.31 1p8a h THR 127 Ca 0.02 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 67.00 1p8a h THR 127 Cb 0.87 1.12 0.00 0.00 -1.74 0.00 0.00 68.15 68.40 1p8a h THR 127 CO 0.07 0.05 0.00 0.80 0.37 0.00 0.00 175.52 176.81 1p8a n MET 128 N -4.10 0.00 0.27 6.66 0.00 0.59 -1.03 117.12 119.51 1p8a n MET 128 Ca -0.03 0.49 0.16 0.00 0.00 0.00 0.00 57.70 58.32 1p8a n MET 128 Cb 0.14 -1.49 0.72 0.00 0.00 0.00 0.00 33.22 32.60 1p8a n MET 128 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 175.97 176.32 1p8a h PHE 129 N 0.00 0.00 -0.50 1.12 3.57 -1.60 -0.86 116.94 118.67 1p8a h PHE 129 Ca 0.00 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.43 1p8a h PHE 129 Cb 0.00 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 1p8a h PHE 129 CO 0.22 0.07 0.02 0.00 -2.23 0.00 0.00 178.31 176.40 1p8a h ALA 130 N 1.93 0.67 0.03 2.41 0.00 -0.48 0.16 119.26 123.98 1p8a h ALA 130 Ca -0.00 -0.27 -0.26 0.00 0.00 0.00 0.00 54.91 54.38 1p8a h ALA 130 Cb 0.45 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1p8a h ALA 130 CO 0.01 0.46 -1.37 1.03 0.00 0.00 0.00 179.25 179.38 1p8a h SER 131 N 0.73 0.11 0.47 0.00 0.87 -0.81 0.17 113.55 115.10 1p8a h SER 131 Ca 0.14 -0.16 -0.06 0.00 -1.23 0.00 0.00 61.79 60.48 1p8a h SER 131 Cb 0.49 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.40 1p8a h SER 131 CO 0.02 1.13 -0.30 0.40 -0.53 0.00 0.00 176.83 177.55 1p8a h ILE 132 N 0.02 1.00 0.00 2.23 2.04 -1.05 0.88 117.51 122.64 1p8a h ILE 132 Ca -0.16 -1.13 -0.12 0.00 1.00 0.00 0.00 64.86 64.45 1p8a h ILE 132 Cb 1.91 1.65 -0.02 0.00 -0.74 0.00 0.00 36.82 39.62 1p8a h ILE 132 CO 0.12 0.30 -1.97 -1.54 0.00 0.00 0.00 178.15 175.06 1p8a n SER 133 N -3.86 0.80 0.11 1.72 3.41 0.54 -3.94 113.62 112.39 1p8a n SER 133 Ca -0.02 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.71 1p8a n SER 133 Cb 0.38 1.49 0.05 0.00 -0.26 0.00 0.00 64.21 65.87 1p8a n SER 133 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1p8a h LYS 134 N 0.00 0.00 -0.68 4.33 1.63 -0.56 -3.36 116.57 117.92 1p8a h LYS 134 Ca -0.18 0.00 -0.48 0.00 -0.85 0.00 0.00 60.65 59.14 1p8a h LYS 134 Cb 1.31 0.00 -0.42 0.00 -0.60 0.00 0.00 32.23 32.51 1p8a h LYS 134 CO 0.01 0.00 -0.88 -1.91 -3.45 0.00 0.00 179.45 173.22 1p8a n GLU 135 N -2.61 3.21 0.16 1.90 2.13 0.30 -4.75 120.64 120.98 1p8a n GLU 135 Ca 0.01 -4.03 0.11 0.00 0.66 0.00 0.00 57.16 53.91 1p8a n GLU 135 Cb 0.52 -2.14 0.09 0.00 0.27 0.00 0.00 31.44 30.18 1p8a n GLU 135 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1p8a h MET 136 N 2.27 0.00 0.09 5.31 -0.00 -1.72 -3.21 114.93 117.68 1p8a h MET 136 Ca 0.26 0.00 -0.27 0.00 -0.00 0.00 0.00 59.70 59.69 1p8a h MET 136 Cb 1.48 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 33.07 1p8a h MET 136 CO 0.64 0.03 -1.42 0.87 -0.00 0.00 0.00 176.91 177.02 1p8a h LYS 137 N 0.00 0.20 0.00 -0.10 1.57 -1.90 -3.18 116.57 113.16 1p8a h LYS 137 Ca -0.01 -0.33 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 1p8a h LYS 137 Cb 1.04 0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.47 1p8a h LYS 137 CO 0.00 1.16 0.00 -0.35 -0.57 0.00 0.00 179.45 179.69 1p8a n PRO 138 N -3.97 0.82 0.00 3.15 -0.04 -1.26 -2.44 135.00 131.26 1p8a n PRO 138 Ca -0.27 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.19 1p8a n PRO 138 Cb 0.87 -1.35 0.00 0.00 -0.04 0.00 0.00 33.50 32.98 1p8a n PRO 138 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1p8a n PHE 139 N -0.85 0.00 -0.17 0.54 7.35 -1.21 -4.35 117.46 118.76 1p8a n PHE 139 Ca 0.14 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.75 1p8a n PHE 139 Cb 0.06 0.00 0.01 0.00 0.35 0.00 0.00 39.48 39.91 1p8a n PHE 139 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1p8a h LEU 140 N 0.00 0.67 -0.08 -2.13 3.38 -1.70 0.96 115.31 116.41 1p8a h LEU 140 Ca 0.00 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1p8a h LEU 140 Cb 0.00 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.58 1p8a h LEU 140 CO 0.00 0.62 0.00 0.41 0.09 0.00 0.00 178.44 179.56 1p8a n THR 141 N -4.59 1.50 -0.10 0.22 -1.04 -1.02 -2.41 114.28 106.83 1p8a n THR 141 Ca 0.02 0.39 -0.20 0.00 -2.04 0.00 0.00 64.05 62.22 1p8a n THR 141 Cb 0.12 -1.29 -0.08 0.00 -1.82 0.00 0.00 70.33 67.27 1p8a n THR 141 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1p8a n GLU 142 N -1.55 0.47 -0.05 -2.82 -0.58 -0.53 -4.33 120.64 111.24 1p8a n GLU 142 Ca 0.01 0.17 0.23 0.00 -0.42 0.00 0.00 57.16 57.16 1p8a n GLU 142 Cb 0.08 -1.30 0.51 0.00 -0.57 0.00 0.00 31.44 30.16 1p8a n GLU 142 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1p8a h HIS 143 N -0.53 0.00 0.00 -0.32 3.86 -0.77 -3.41 115.15 113.98 1p8a h HIS 143 Ca -0.51 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.70 1p8a h HIS 143 Cb 1.54 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.01 1p8a h HIS 143 CO -0.04 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.16 1p8a n GLY 144 N -1.61 0.86 0.00 2.45 0.00 -1.23 -5.10 105.19 100.56 1p8a n GLY 144 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1p8a n GLY 144 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1p8a n LEU 145 N 0.00 0.00 0.00 0.99 4.77 -1.01 -5.06 117.00 116.69 1p8a n LEU 145 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1p8a n LEU 145 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1p8a n LEU 145 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.06