#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 2.19 -1.45 0.00 0.00 -1.26 -5.12 120.51 114.88 1p8a n ALA 2 Ca 0.00 -1.48 -0.17 0.00 0.00 0.00 0.00 53.44 51.79 1p8a n ALA 2 Cb 0.00 -0.92 0.18 0.00 0.00 0.00 0.00 19.45 18.72 1p8a n ALA 2 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1p8a n GLU 3 N -0.91 -1.81 -4.80 0.00 4.07 -1.26 -5.03 120.64 110.90 1p8a n GLU 3 Ca -0.07 -1.58 -0.31 0.00 -0.06 0.00 0.00 57.16 55.15 1p8a n GLU 3 Cb 0.85 -1.22 -0.14 0.00 -0.06 0.00 0.00 31.44 30.88 1p8a n GLU 3 CO 0.00 0.00 0.00 -1.59 -0.06 0.00 0.00 177.13 175.48 1p8a s LYS 4 N -5.23 1.96 0.00 5.31 0.00 -1.26 -4.50 119.74 116.02 1p8a s LYS 4 Ca 0.60 -1.03 0.00 0.00 0.00 0.00 0.00 55.97 55.54 1p8a s LYS 4 Cb -0.03 -2.10 0.00 0.00 0.00 0.00 0.00 37.83 35.70 1p8a s LYS 4 CO 0.44 0.53 0.00 1.63 0.00 0.00 0.00 175.35 177.95 1p8a n LYS 5 N 1.71 3.97 -4.13 1.78 5.02 -1.20 -4.96 118.16 120.35 1p8a n LYS 5 Ca -0.17 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 55.97 1p8a n LYS 5 Cb 0.52 0.00 -0.12 0.00 -0.02 0.00 0.00 35.03 35.41 1p8a n LYS 5 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1p8a s ALA 6 N -2.02 0.78 -0.13 7.82 0.00 -1.26 0.71 121.76 127.66 1p8a s ALA 6 Ca 0.00 -0.79 -0.04 0.00 0.00 0.00 0.00 51.96 51.13 1p8a s ALA 6 Cb 0.00 -0.03 0.05 0.00 0.00 0.00 0.00 23.12 23.14 1p8a s ALA 6 CO 0.00 0.06 0.07 0.08 0.00 0.00 0.00 175.76 175.97 1p8a s VAL 7 N -1.19 0.01 -0.69 0.00 1.01 0.98 -1.33 120.40 119.19 1p8a s VAL 7 Ca -0.06 -0.03 -0.27 0.00 0.00 0.00 0.00 61.98 61.62 1p8a s VAL 7 Cb -0.09 -0.51 0.02 0.00 0.00 0.00 0.00 36.38 35.80 1p8a s VAL 7 CO 0.01 -0.12 1.34 -0.22 0.00 0.00 0.00 175.10 176.11 1p8a s LEU 8 N 2.10 3.24 -0.53 3.92 2.96 -0.31 -0.68 118.68 129.39 1p8a s LEU 8 Ca 0.03 -0.23 -0.24 0.00 -0.22 0.00 0.00 54.13 53.47 1p8a s LEU 8 Cb -0.15 -2.69 0.04 0.00 0.50 0.00 0.00 46.19 43.89 1p8a s LEU 8 CO -0.07 -1.83 0.89 -0.36 -1.32 0.00 0.00 176.35 173.66 1p8a s PHE 9 N 5.97 2.86 0.37 5.38 0.08 0.16 0.32 117.98 133.11 1p8a s PHE 9 Ca 0.41 -0.01 0.05 0.00 0.12 0.00 0.00 56.93 57.49 1p8a s PHE 9 Cb -0.09 -3.96 -0.03 0.00 -0.57 0.00 0.00 43.02 38.38 1p8a s PHE 9 CO 0.18 -1.25 0.18 0.08 -0.10 0.00 0.00 175.22 174.31 1p8a s VAL 10 N 3.71 0.36 0.00 -0.44 1.01 -0.23 -1.17 120.40 123.64 1p8a s VAL 10 Ca 0.29 -2.00 0.00 0.00 0.00 0.00 0.00 61.98 60.27 1p8a s VAL 10 Cb -0.13 -2.42 0.00 0.00 0.00 0.00 0.00 36.38 33.83 1p8a s VAL 10 CO 0.19 0.00 0.00 0.00 0.00 0.00 0.00 175.10 175.29 1p8a n LEU 12 N 0.00 0.00 -4.46 0.00 4.77 -1.26 -3.87 117.00 112.18 1p8a n LEU 12 Ca 0.00 0.00 -0.44 0.00 -0.03 0.00 0.00 56.01 55.54 1p8a n LEU 12 Cb 0.00 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1p8a n LEU 12 CO 0.00 0.00 1.38 -0.83 -1.33 0.00 0.00 177.39 176.61 1p8a s GLY 13 N 0.00 2.43 0.19 -0.72 0.00 -1.26 -4.19 107.32 103.77 1p8a s GLY 13 Ca 0.00 -3.37 -0.12 0.00 0.00 0.00 0.00 44.72 41.23 1p8a s GLY 13 CO 0.00 2.03 1.82 -0.57 0.00 0.00 0.00 173.10 176.39 1p8a h ASN 14 N 7.15 0.57 -1.84 1.64 -0.73 -1.83 -1.89 115.58 118.65 1p8a h ASN 14 Ca 0.31 0.01 0.54 0.00 1.87 0.00 0.00 56.30 59.03 1p8a h ASN 14 Cb 0.87 -0.11 -0.08 0.00 0.27 0.00 0.00 38.32 39.27 1p8a h ASN 14 CO 1.24 0.40 1.32 -0.38 -0.37 0.00 0.00 177.43 179.63 1p8a n ILE 15 N -4.76 -0.02 -2.04 2.57 5.41 -1.26 0.16 119.36 119.43 1p8a n ILE 15 Ca 0.05 1.43 -0.06 0.00 1.00 0.00 0.00 62.75 65.17 1p8a n ILE 15 Cb 0.09 -2.38 0.09 0.00 -0.71 0.00 0.00 39.64 36.73 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 -3.01 1.03 -1.39 0.00 0.52 0.43 -4.40 118.95 112.13 1p8a s ARG 17 Ca 0.41 -1.15 -0.08 0.00 -0.52 0.00 0.00 55.73 54.39 1p8a s ARG 17 Cb 0.38 -0.22 0.03 0.00 0.52 0.00 0.00 34.95 35.66 1p8a s ARG 17 CO -0.04 -1.33 1.02 0.45 0.02 0.00 0.00 175.30 175.42 1p8a n SER 18 N 3.04 -4.40 0.24 0.23 2.88 -1.26 -4.65 113.62 109.70 1p8a n SER 18 Ca 0.19 -0.68 0.13 0.00 -1.33 0.00 0.00 58.87 57.18 1p8a n SER 18 Cb 0.55 -4.51 0.45 0.00 -0.75 0.00 0.00 64.21 59.95 1p8a n SER 18 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1p8a h PRO 19 N -2.26 0.00 -0.25 -1.46 0.13 -1.68 -2.69 132.00 123.80 1p8a h PRO 19 Ca -0.58 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.55 1p8a h PRO 19 Cb 1.37 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.50 1p8a h PRO 19 CO 0.59 0.10 0.00 0.00 -0.23 0.00 0.00 178.00 178.46 1p8a n ALA 20 N -2.14 2.48 -0.36 -0.56 0.00 -0.19 -4.12 120.51 115.62 1p8a n ALA 20 Ca 0.01 -0.55 0.04 0.00 0.00 0.00 0.00 53.44 52.95 1p8a n ALA 20 Cb 0.43 -1.03 0.19 0.00 0.00 0.00 0.00 19.45 19.03 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 1.10 0.75 0.19 0.00 4.22 -1.83 -0.76 114.58 118.25 1p8a h GLU 22 Ca 0.45 -0.06 -0.01 0.00 0.08 0.00 0.00 59.36 59.82 1p8a h GLU 22 Cb 0.27 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1p8a h GLU 22 CO -0.20 0.53 -0.09 0.78 -2.18 0.00 0.00 179.01 177.85 1p8a h GLY 23 N 0.75 -0.26 -0.76 1.92 0.00 -1.40 0.63 103.07 103.96 1p8a h GLY 23 Ca 0.20 0.10 0.25 0.00 0.00 0.00 0.00 47.33 47.88 1p8a h GLY 23 CO -0.04 -0.09 0.09 1.19 0.00 0.00 0.00 176.54 177.69 1p8a h ILE 24 N -0.69 0.13 -0.18 2.60 6.09 -0.63 0.47 117.51 125.30 1p8a h ILE 24 Ca -0.03 -0.02 -0.21 0.00 -1.37 0.00 0.00 64.86 63.23 1p8a h ILE 24 Cb 0.19 0.06 0.01 0.00 0.47 0.00 0.00 36.82 37.55 1p8a h ILE 24 CO 0.04 0.01 -0.73 0.00 -3.07 0.00 0.00 178.15 174.40 1p8a h ARG 26 N 0.56 0.49 0.04 0.00 2.47 0.23 0.43 114.38 118.60 1p8a h ARG 26 Ca -0.04 -0.03 -0.30 0.00 -1.26 0.00 0.00 59.98 58.35 1p8a h ARG 26 Cb 1.35 -0.11 -0.04 0.00 -1.65 0.00 0.00 29.97 29.52 1p8a h ARG 26 CO 0.15 0.32 -1.70 -0.44 0.56 0.00 0.00 179.97 178.87 1p8a h ASP 27 N 0.50 0.12 0.92 7.04 5.19 -1.02 0.61 116.42 129.78 1p8a h ASP 27 Ca 0.36 -0.24 -0.10 0.00 -0.62 0.00 0.00 57.03 56.43 1p8a h ASP 27 Cb 0.69 -0.04 -0.01 0.00 0.18 0.00 0.00 39.33 40.15 1p8a h ASP 27 CO -0.12 1.21 -0.50 -0.03 -3.12 0.00 0.00 179.24 176.68 1p8a h MET 28 N 0.02 0.00 0.00 3.56 4.05 -0.10 -3.35 114.93 119.11 1p8a h MET 28 Ca -0.29 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.13 1p8a h MET 28 Cb 2.00 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.80 1p8a h MET 28 CO 0.09 0.50 -0.81 0.28 0.23 0.00 0.00 176.91 177.20 1p8a n VAL 29 N -3.52 0.00 0.00 -5.77 0.31 0.14 -5.05 118.33 104.44 1p8a n VAL 29 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1p8a n VAL 29 Cb 0.60 0.05 0.00 0.00 -0.91 0.00 0.00 33.84 33.59 1p8a n VAL 29 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1p8a n GLY 30 N 2.17 -1.41 3.58 2.92 0.00 0.21 -4.73 105.19 107.94 1p8a n GLY 30 Ca 0.00 -2.09 -0.40 0.00 0.00 0.00 0.00 46.02 43.53 1p8a n GLY 30 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1p8a s ASP 31 N -4.00 6.46 0.00 1.61 -1.08 -1.25 -4.36 116.67 114.05 1p8a s ASP 31 Ca 0.00 -2.23 0.00 0.00 -0.52 0.00 0.00 52.55 49.80 1p8a s ASP 31 Cb 0.00 -2.58 0.00 0.00 -1.46 0.00 0.00 42.92 38.88 1p8a s ASP 31 CO 0.00 -1.56 0.00 0.29 0.52 0.00 0.00 175.17 174.42 1p8a n LYS 32 N 8.41 2.33 0.00 4.34 4.76 -1.26 -5.09 118.16 131.65 1p8a n LYS 32 Ca 0.47 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.91 1p8a n LYS 32 Cb 0.46 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.65 1p8a n LYS 32 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1p8a n LEU 33 N 0.00 2.59 -0.42 -0.35 4.77 -1.24 -4.70 117.00 117.65 1p8a n LEU 33 Ca 0.00 0.00 0.33 0.00 -0.03 0.00 0.00 56.01 56.31 1p8a n LEU 33 Cb 0.00 0.00 0.52 0.00 -2.33 0.00 0.00 43.42 41.61 1p8a n LEU 33 CO 0.00 0.43 0.93 2.30 -1.33 0.00 0.00 177.39 179.72 1p8a n ILE 34 N -2.38 -0.06 -2.41 -0.08 -6.64 0.22 -3.32 119.36 104.68 1p8a n ILE 34 Ca 0.00 1.08 -0.37 0.00 -1.77 0.00 0.00 62.75 61.69 1p8a n ILE 34 Cb 0.44 -1.78 -0.03 0.00 -1.44 0.00 0.00 39.64 36.82 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 -4.41 3.80 -0.59 7.28 1.09 -1.26 -0.01 121.20 127.09 1p8a s ILE 35 Ca -0.04 -0.80 0.06 0.00 -1.10 0.00 0.00 60.65 58.78 1p8a s ILE 35 Cb 0.19 -4.78 0.24 0.00 -1.06 0.00 0.00 42.46 37.04 1p8a s ILE 35 CO 0.58 -1.65 0.67 0.47 -0.10 0.00 0.00 174.94 174.90 1p8a n ASP 36 N 10.39 2.89 -4.72 3.58 8.00 0.15 -4.89 116.55 131.95 1p8a n ASP 36 Ca 0.37 -3.25 -0.42 0.00 0.71 0.00 0.00 54.79 52.20 1p8a n ASP 36 Cb 0.49 -0.67 -0.03 0.00 -0.02 0.00 0.00 41.12 40.89 1p8a n ASP 36 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1p8a s SER 37 N -2.06 7.04 0.07 -2.24 0.15 -1.26 0.35 113.70 115.76 1p8a s SER 37 Ca 0.37 2.12 0.01 0.00 0.70 0.00 0.00 55.95 59.14 1p8a s SER 37 Cb 0.13 -2.59 -0.00 0.00 -1.71 0.00 0.00 66.02 61.85 1p8a s SER 37 CO -0.05 -0.47 0.07 0.00 1.20 0.00 0.00 173.24 173.99 1p8a n ALA 38 N 3.59 0.04 -3.59 5.45 0.00 -0.32 -4.87 120.51 120.82 1p8a n ALA 38 Ca 0.08 -0.35 -0.12 0.00 0.00 0.00 0.00 53.44 53.06 1p8a n ALA 38 Cb 0.45 0.28 -0.06 0.00 0.00 0.00 0.00 19.45 20.13 1p8a n ALA 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1p8a s ALA 39 N -2.05 -1.91 -0.61 0.00 0.00 -1.26 -4.17 121.76 111.76 1p8a s ALA 39 Ca 0.07 1.68 0.05 0.00 0.00 0.00 0.00 51.96 53.77 1p8a s ALA 39 Cb 0.00 -0.89 0.20 0.00 0.00 0.00 0.00 23.12 22.43 1p8a s ALA 39 CO 0.05 -0.30 0.53 -2.37 0.00 0.00 0.00 175.76 173.67 1p8a n THR 40 N 1.44 1.06 0.21 0.00 5.66 -1.25 -2.70 114.28 118.70 1p8a n THR 40 Ca -0.13 -4.60 0.00 0.00 -3.05 0.00 0.00 64.05 56.27 1p8a n THR 40 Cb 0.57 -2.04 0.00 0.00 -1.55 0.00 0.00 70.33 67.30 1p8a n THR 40 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1p8a n SER 41 N 1.80 -3.15 -0.42 1.09 7.64 -1.25 -4.77 113.62 114.56 1p8a n SER 41 Ca 0.24 0.79 -0.01 0.00 1.01 0.00 0.00 58.87 60.90 1p8a n SER 41 Cb 0.41 2.99 0.00 0.00 -1.01 0.00 0.00 64.21 66.60 1p8a n SER 41 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1p8a n GLY 42 N -0.72 0.73 1.33 0.23 0.00 -1.25 -4.93 105.19 100.57 1p8a n GLY 42 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.30 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 -3.03 -0.60 -1.84 1.61 3.72 -1.26 -4.85 117.46 111.20 1p8a n PHE 43 Ca -0.00 0.11 -0.41 0.00 -0.05 0.00 0.00 57.45 57.10 1p8a n PHE 43 Cb 0.50 0.17 -0.01 0.00 -0.94 0.00 0.00 39.48 39.21 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 -3.34 2.75 -3.79 1.38 8.25 -1.26 -4.88 115.22 114.32 1p8a n HIS 44 Ca 0.00 -2.91 -0.13 0.00 -0.26 0.00 0.00 57.72 54.42 1p8a n HIS 44 Cb 0.08 -2.14 -0.09 0.00 1.12 0.00 0.00 29.99 28.96 1p8a n HIS 44 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1p8a s VAL 45 N 0.71 0.06 0.00 1.59 0.11 -1.26 -3.91 120.40 117.70 1p8a s VAL 45 Ca 0.54 -0.53 0.00 0.00 -2.93 0.00 0.00 61.98 59.06 1p8a s VAL 45 Cb 0.16 -0.56 0.00 0.00 -1.53 0.00 0.00 36.38 34.45 1p8a s VAL 45 CO -0.06 -0.29 0.00 0.61 -3.33 0.00 0.00 175.10 172.03 1p8a n GLY 46 N 1.36 0.93 0.00 6.54 0.00 -1.26 -4.96 105.19 107.79 1p8a n GLY 46 Ca -0.22 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.09 0.00 -1.47 1.61 10.64 -1.26 -5.15 117.38 119.66 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 0.02 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.40 1p8a n GLN 47 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 1p8a n SER 48 N 0.00 -6.45 -4.56 2.61 2.88 -1.26 -4.69 113.62 102.14 1p8a n SER 48 Ca 0.00 0.87 -0.26 0.00 -1.33 0.00 0.00 58.87 58.15 1p8a n SER 48 Cb 0.00 -3.53 -0.05 0.00 -0.75 0.00 0.00 64.21 59.87 1p8a n SER 48 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1p8a s PRO 49 N -1.61 2.49 -0.05 -1.46 0.04 -1.26 -4.76 135.00 128.41 1p8a s PRO 49 Ca 0.00 -0.33 0.08 0.00 0.04 0.00 0.00 61.00 60.79 1p8a s PRO 49 Cb 0.00 -5.06 0.31 0.00 0.04 0.00 0.00 34.50 29.79 1p8a s PRO 49 CO 0.00 -3.50 1.14 -0.40 0.04 0.00 0.00 177.00 174.28 1p8a n ASP 50 N 14.28 2.28 0.02 6.66 5.68 -1.26 -3.94 116.55 140.27 1p8a n ASP 50 Ca 0.41 -2.18 -0.14 0.00 -0.50 0.00 0.00 54.79 52.38 1p8a n ASP 50 Cb 0.47 -0.38 -0.03 0.00 -1.14 0.00 0.00 41.12 40.04 1p8a n ASP 50 CO 0.00 0.00 0.00 0.74 -1.33 0.00 0.00 177.20 176.61 1p8a h THR 51 N 1.78 1.33 -0.18 2.12 2.02 -1.99 -1.52 112.91 116.47 1p8a h THR 51 Ca 0.00 -2.13 -0.19 0.00 0.77 0.00 0.00 66.41 64.85 1p8a h THR 51 Cb 0.74 2.14 0.00 0.00 -1.74 0.00 0.00 68.15 69.29 1p8a h THR 51 CO 0.09 0.66 -0.66 0.03 0.37 0.00 0.00 175.52 176.01 1p8a h ARG 52 N 0.38 0.67 0.70 6.66 2.47 -1.99 -0.23 114.38 123.05 1p8a h ARG 52 Ca -0.06 -0.49 -0.03 0.00 -1.26 0.00 0.00 59.98 58.14 1p8a h ARG 52 Cb 1.43 0.08 0.01 0.00 -1.65 0.00 0.00 29.97 29.84 1p8a h ARG 52 CO 0.15 1.11 -0.34 0.77 0.56 0.00 0.00 179.97 182.23 1p8a h SER 53 N 0.49 -0.80 -0.63 7.04 0.02 -1.76 -0.60 113.55 117.31 1p8a h SER 53 Ca -0.02 0.01 0.04 0.00 -0.84 0.00 0.00 61.79 60.99 1p8a h SER 53 Cb 1.26 0.21 -0.05 0.00 0.14 0.00 0.00 62.40 63.96 1p8a h SER 53 CO 0.13 -0.42 0.37 1.56 -1.14 0.00 0.00 176.83 177.33 1p8a h GLN 54 N -1.22 0.70 0.00 3.45 4.20 -1.36 -0.59 115.11 120.29 1p8a h GLN 54 Ca -0.10 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.57 1p8a h GLN 54 Cb 0.73 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.36 1p8a h GLN 54 CO 0.16 0.46 0.00 1.17 -0.67 0.00 0.00 178.83 179.95 1p8a n LYS 55 N -4.75 0.00 -0.37 1.46 3.00 -0.10 -1.19 118.16 116.22 1p8a n LYS 55 Ca 0.07 0.55 0.29 0.00 -0.00 0.00 0.00 58.31 59.22 1p8a n LYS 55 Cb 0.11 -1.38 0.56 0.00 0.00 0.00 0.00 35.03 34.32 1p8a n LYS 55 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1p8a h VAL 56 N 0.00 0.22 -0.19 3.15 2.07 -1.04 0.63 116.25 121.09 1p8a h VAL 56 Ca 0.00 -0.07 0.04 0.00 0.82 0.00 0.00 66.70 67.49 1p8a h VAL 56 Cb 0.00 -0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 29.73 1p8a h VAL 56 CO 0.00 0.04 -0.08 0.00 0.02 0.00 0.00 177.57 177.54 1p8a h LYS 58 N -0.06 0.00 -0.00 0.00 3.64 0.59 0.63 116.57 121.38 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 0.21 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 1p8a h LYS 58 CO -0.23 0.30 -0.15 0.45 -2.27 0.00 0.00 179.45 177.55 1p8a n SER 59 N -3.91 0.20 -0.05 4.20 2.88 -0.07 -3.78 113.62 113.09 1p8a n SER 59 Ca -0.02 0.11 -0.06 0.00 -1.33 0.00 0.00 58.87 57.58 1p8a n SER 59 Cb 0.37 -0.23 -0.08 0.00 -0.75 0.00 0.00 64.21 63.53 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 -1.41 2.59 0.00 -3.46 4.13 0.21 -5.02 115.26 112.30 1p8a n ASN 60 Ca 0.08 -0.01 0.00 0.00 1.68 0.00 0.00 54.58 56.33 1p8a n ASN 60 Cb 0.32 0.61 0.00 0.00 -1.54 0.00 0.00 39.78 39.18 1p8a n ASN 60 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1p8a n GLY 61 N 2.45 -0.14 0.00 7.41 0.00 0.18 -5.07 105.19 110.02 1p8a n GLY 61 Ca -0.17 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.50 1p8a n GLY 61 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1p8a n VAL 62 N 0.00 0.00 -3.42 1.61 3.14 0.12 -4.80 118.33 114.99 1p8a n VAL 62 Ca 0.00 0.00 -0.37 0.00 -2.96 0.00 0.00 64.34 61.01 1p8a n VAL 62 Cb 0.00 0.00 -0.06 0.00 -1.06 0.00 0.00 33.84 32.72 1p8a n VAL 62 CO 0.00 0.00 0.00 -1.81 -6.46 0.00 0.00 176.83 168.56 1p8a s ASP 63 N 0.00 6.84 0.36 6.55 1.11 -1.26 0.69 116.67 130.95 1p8a s ASP 63 Ca 0.00 1.04 0.00 0.00 0.18 0.00 0.00 52.55 53.77 1p8a s ASP 63 Cb 0.00 -2.27 0.00 0.00 1.07 0.00 0.00 42.92 41.72 1p8a s ASP 63 CO 0.00 0.21 0.00 0.00 1.18 0.00 0.00 175.17 176.56 1p8a n ILE 64 N 1.26 0.00 0.00 0.77 0.00 -1.26 -4.23 119.36 115.91 1p8a n ILE 64 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 62.75 62.66 1p8a n ILE 64 Cb 0.52 -0.16 0.00 0.00 0.00 0.00 0.00 39.64 40.00 1p8a n ILE 64 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1p8a n SER 65 N -2.18 0.00 -1.74 9.51 2.88 -1.26 -4.21 113.62 116.62 1p8a n SER 65 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1p8a n SER 65 Cb 0.21 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.67 1p8a n SER 65 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1p8a n LYS 66 N 0.00 2.05 0.00 -1.46 4.76 -1.26 -1.02 118.16 121.22 1p8a n LYS 66 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1p8a n LYS 66 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 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 -0.19 0.00 -1.66 1.97 10.64 -1.26 -4.84 117.38 122.04 1p8a n GLN 67 Ca 0.00 0.00 -0.17 0.00 -1.83 0.00 0.00 57.00 55.00 1p8a n GLN 67 Cb 0.00 0.00 -0.11 0.00 -0.86 0.00 0.00 30.24 29.27 1p8a n GLN 67 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 1p8a n ARG 68 N -0.12 0.39 -1.53 2.61 3.00 -1.26 -4.42 116.66 115.34 1p8a n ARG 68 Ca 0.00 -1.85 -0.21 0.00 -0.01 0.00 0.00 57.85 55.78 1p8a n ARG 68 Cb 0.00 -3.90 -0.15 0.00 0.00 0.00 0.00 32.46 28.41 1p8a n ARG 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1p8a n ALA 69 N 18.86 0.74 -2.15 7.54 0.00 -1.25 -4.83 120.51 139.41 1p8a n ALA 69 Ca 0.42 -1.02 0.00 0.00 0.00 0.00 0.00 53.44 52.84 1p8a n ALA 69 Cb 0.47 -2.79 0.00 0.00 0.00 0.00 0.00 19.45 17.13 1p8a n ALA 69 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1p8a n ARG 70 N 7.21 3.90 -4.04 0.00 1.85 -1.26 -3.96 116.66 120.36 1p8a n ARG 70 Ca 0.58 0.00 -0.33 0.00 -1.00 0.00 0.00 57.85 57.10 1p8a n ARG 70 Cb 0.27 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 31.62 1p8a n ARG 70 CO 0.00 0.00 0.00 -1.14 -0.01 0.00 0.00 177.63 176.48 1p8a s GLN 71 N 3.82 3.15 0.83 2.89 2.00 -1.26 -3.88 119.66 127.21 1p8a s GLN 71 Ca 0.00 -0.48 -0.11 0.00 -2.00 0.00 0.00 55.36 52.77 1p8a s GLN 71 Cb 0.00 -2.90 0.12 0.00 0.80 0.00 0.00 33.01 31.03 1p8a s GLN 71 CO 0.00 0.64 1.18 -1.50 -0.50 0.00 0.00 175.29 175.11 1p8a s ILE 72 N -1.27 2.08 -2.24 -2.34 2.07 -1.10 -4.91 121.20 113.49 1p8a s ILE 72 Ca 0.26 -0.12 0.22 0.00 -1.41 0.00 0.00 60.65 59.60 1p8a s ILE 72 Cb -0.12 -2.95 0.47 0.00 0.13 0.00 0.00 42.46 39.99 1p8a s ILE 72 CO 0.17 0.00 1.42 0.41 -1.91 0.00 0.00 174.94 175.03 1p8a n THR 73 N -3.35 0.65 -0.86 4.00 -1.04 -1.26 -4.92 114.28 107.51 1p8a n THR 73 Ca 0.11 -0.83 0.00 0.00 -2.04 0.00 0.00 64.05 61.30 1p8a n THR 73 Cb 0.60 0.84 0.00 0.00 -1.82 0.00 0.00 70.33 69.95 1p8a n THR 73 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1p8a n LYS 74 N 1.48 -0.62 0.00 -2.82 5.02 -1.26 -4.80 118.16 115.16 1p8a n LYS 74 Ca 0.20 0.15 0.14 0.00 -2.02 0.00 0.00 58.31 56.79 1p8a n LYS 74 Cb 0.60 -3.94 0.58 0.00 -0.02 0.00 0.00 35.03 32.24 1p8a n LYS 74 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1p8a n ALA 75 N 1.00 2.78 0.26 7.82 0.00 -1.26 -3.79 120.51 127.32 1p8a n ALA 75 Ca 0.00 -0.33 0.13 0.00 0.00 0.00 0.00 53.44 53.23 1p8a n ALA 75 Cb 0.15 -1.27 0.71 0.00 0.00 0.00 0.00 19.45 19.04 1p8a n ALA 75 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1p8a h ASP 76 N 1.06 0.00 -0.22 0.00 2.03 -1.94 -1.65 116.42 115.71 1p8a h ASP 76 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1p8a h ASP 76 Cb 0.38 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.88 1p8a h ASP 76 CO 0.00 0.13 0.00 0.49 -1.03 0.00 0.00 179.24 178.83 1p8a n PHE 77 N -3.61 0.56 0.00 4.15 3.72 -1.25 -3.65 117.46 117.38 1p8a n PHE 77 Ca -0.02 -0.21 0.00 0.00 -0.05 0.00 0.00 57.45 57.17 1p8a n PHE 77 Cb 0.25 -0.15 0.00 0.00 -0.94 0.00 0.00 39.48 38.65 1p8a n PHE 77 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1p8a n SER 78 N 0.22 1.52 0.00 4.37 2.88 -0.63 -4.63 113.62 117.36 1p8a n SER 78 Ca 0.09 -0.14 0.00 0.00 -1.33 0.00 0.00 58.87 57.49 1p8a n SER 78 Cb 0.43 0.58 0.00 0.00 -0.75 0.00 0.00 64.21 64.47 1p8a n SER 78 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1p8a n LYS 79 N -0.74 2.28 0.00 -1.46 3.00 -1.17 -4.94 118.16 115.13 1p8a n LYS 79 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1p8a n LYS 79 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1p8a n LYS 79 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 1p8a n PHE 80 N 0.00 0.00 0.00 5.64 3.01 -1.26 -4.80 117.46 120.05 1p8a n PHE 80 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1p8a n PHE 80 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 1p8a n PHE 80 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1p8a n ASP 81 N -3.57 0.58 -4.14 4.37 2.03 -1.20 -4.78 116.55 109.84 1p8a n ASP 81 Ca 0.00 0.00 -0.09 0.00 0.52 0.00 0.00 54.79 55.22 1p8a n ASP 81 Cb 0.00 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.30 1p8a n ASP 81 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1p8a s VAL 82 N -1.50 0.53 -0.13 5.18 0.11 -0.44 -3.00 120.40 121.14 1p8a s VAL 82 Ca 0.00 -1.86 0.01 0.00 -2.93 0.00 0.00 61.98 57.20 1p8a s VAL 82 Cb 0.00 -1.58 0.02 0.00 -1.53 0.00 0.00 36.38 33.29 1p8a s VAL 82 CO 0.00 -0.90 -0.15 -0.63 -3.33 0.00 0.00 175.10 170.09 1p8a s ILE 83 N -3.63 1.58 -0.15 7.04 1.09 0.14 -1.16 121.20 126.11 1p8a s ILE 83 Ca 0.09 -0.66 -0.04 0.00 -1.10 0.00 0.00 60.65 58.94 1p8a s ILE 83 Cb 0.06 -1.46 -0.03 0.00 -1.06 0.00 0.00 42.46 39.96 1p8a s ILE 83 CO -0.06 0.46 -0.03 0.00 -0.10 0.00 0.00 174.94 175.21 1p8a s ALA 84 N 1.26 3.05 0.30 9.38 0.00 0.15 0.26 121.76 136.16 1p8a s ALA 84 Ca -0.00 -0.81 0.10 0.00 0.00 0.00 0.00 51.96 51.25 1p8a s ALA 84 Cb -0.14 -1.56 -0.05 0.00 0.00 0.00 0.00 23.12 21.37 1p8a s ALA 84 CO -0.07 0.26 -0.10 0.00 0.00 0.00 0.00 175.76 175.85 1p8a s ALA 85 N 0.22 2.97 -0.19 0.00 0.00 -0.46 -1.07 121.76 123.23 1p8a s ALA 85 Ca -0.02 -1.87 -0.09 0.00 0.00 0.00 0.00 51.96 49.98 1p8a s ALA 85 Cb -0.14 -0.37 -0.21 0.00 0.00 0.00 0.00 23.12 22.40 1p8a s ALA 85 CO 0.03 0.21 0.13 -0.11 0.00 0.00 0.00 175.76 176.01 1p8a n LEU 86 N -0.77 2.46 -5.00 0.00 7.94 0.06 -0.62 117.00 121.06 1p8a n LEU 86 Ca -0.05 0.20 -0.21 0.00 -1.11 0.00 0.00 56.01 54.84 1p8a n LEU 86 Cb 0.61 -1.01 0.04 0.00 0.53 0.00 0.00 43.42 43.59 1p8a n LEU 86 CO 0.40 0.71 0.26 -0.62 -1.11 0.00 0.00 177.39 177.03 1p8a s ASP 87 N -6.95 5.06 -0.10 1.96 2.15 -1.26 -4.64 116.67 112.88 1p8a s ASP 87 Ca -0.28 -0.88 -0.04 0.00 0.43 0.00 0.00 52.55 51.78 1p8a s ASP 87 Cb 0.08 0.20 -0.26 0.00 -0.30 0.00 0.00 42.92 42.64 1p8a s ASP 87 CO 0.66 -1.22 0.44 1.56 -0.17 0.00 0.00 175.17 176.45 1p8a h GLN 88 N 0.36 0.23 -1.01 4.34 4.20 -1.97 -3.36 115.11 117.90 1p8a h GLN 88 Ca -0.32 -0.39 0.37 0.00 0.06 0.00 0.00 58.65 58.37 1p8a h GLN 88 Cb 1.29 0.15 -0.16 0.00 0.30 0.00 0.00 27.48 29.05 1p8a h GLN 88 CO 0.45 1.10 0.56 1.03 -0.67 0.00 0.00 178.83 181.31 1p8a h SER 89 N 0.06 0.41 0.26 1.46 0.87 -1.98 0.25 113.55 114.89 1p8a h SER 89 Ca -0.39 0.22 -0.01 0.00 -1.23 0.00 0.00 61.79 60.38 1p8a h SER 89 Cb 2.04 0.20 0.00 0.00 -0.44 0.00 0.00 62.40 64.20 1p8a h SER 89 CO 0.09 -0.29 -0.12 0.40 -0.53 0.00 0.00 176.83 176.39 1p8a h ILE 90 N 0.16 0.79 0.00 2.23 5.03 -1.98 -0.54 117.51 123.20 1p8a h ILE 90 Ca 0.79 -0.56 0.00 0.00 -0.12 0.00 0.00 64.86 64.98 1p8a h ILE 90 Cb 1.98 1.10 0.00 0.00 -3.03 0.00 0.00 36.82 36.87 1p8a h ILE 90 CO -0.68 0.12 0.00 0.25 -0.68 0.00 0.00 178.15 177.16 1p8a h LEU 91 N -0.64 0.00 0.14 1.44 5.85 -0.82 0.42 115.31 121.69 1p8a h LEU 91 Ca -0.04 0.00 -0.35 0.00 0.84 0.00 0.00 57.88 58.33 1p8a h LEU 91 Cb 0.46 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 1p8a h LEU 91 CO 0.06 0.00 -1.88 -1.28 -0.34 0.00 0.00 178.44 175.00 1p8a h SER 92 N 0.00 0.46 0.85 1.25 0.87 -0.32 -3.33 113.55 113.33 1p8a h SER 92 Ca 0.00 -0.88 -0.07 0.00 -1.23 0.00 0.00 61.79 59.61 1p8a h SER 92 Cb 0.15 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 1p8a h SER 92 CO 0.00 1.77 -1.20 0.47 -0.53 0.00 0.00 176.83 177.34 1p8a n ASP 93 N -3.49 0.83 -0.09 6.23 8.00 -0.24 -4.06 116.55 123.73 1p8a n ASP 93 Ca -0.28 0.34 -0.09 0.00 0.71 0.00 0.00 54.79 55.47 1p8a n ASP 93 Cb 1.06 0.38 0.07 0.00 -0.02 0.00 0.00 41.12 42.60 1p8a n ASP 93 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 1p8a h ILE 94 N 0.00 1.28 0.00 0.53 2.10 -0.35 -2.57 117.51 118.50 1p8a h ILE 94 Ca -0.07 -1.42 0.00 0.00 1.08 0.00 0.00 64.86 64.46 1p8a h ILE 94 Cb 1.24 1.28 0.00 0.00 -1.09 0.00 0.00 36.82 38.25 1p8a h ILE 94 CO 0.02 0.47 0.00 -0.55 -1.08 0.00 0.00 178.15 177.01 1p8a h ASN 95 N 0.67 0.00 0.54 2.19 7.08 -1.70 0.72 115.58 125.08 1p8a h ASN 95 Ca 0.08 0.00 -0.24 0.00 -3.08 0.00 0.00 56.30 53.06 1p8a h ASN 95 Cb 0.81 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 37.05 1p8a h ASN 95 CO 0.07 0.00 -1.07 -1.28 -2.08 0.00 0.00 177.43 173.06 1p8a h SER 96 N 0.00 0.41 0.33 6.14 0.87 -1.60 -3.32 113.55 116.38 1p8a h SER 96 Ca 0.00 -0.39 -0.32 0.00 -1.23 0.00 0.00 61.79 59.86 1p8a h SER 96 Cb 0.47 -0.13 -0.06 0.00 -0.44 0.00 0.00 62.40 62.25 1p8a h SER 96 CO 0.00 1.24 -1.93 1.15 -0.53 0.00 0.00 176.83 176.76 1p8a n MET 97 N -3.62 0.65 -1.31 2.24 0.00 -1.08 -4.96 117.12 109.05 1p8a n MET 97 Ca -0.07 0.20 -0.44 0.00 0.00 0.00 0.00 57.70 57.39 1p8a n MET 97 Cb 0.92 -1.71 -0.02 0.00 0.00 0.00 0.00 33.22 32.41 1p8a n MET 97 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 1p8a n LYS 98 N -2.96 0.00 -1.26 3.17 4.76 0.23 -4.92 118.16 117.17 1p8a n LYS 98 Ca -0.22 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 54.92 1p8a n LYS 98 Cb 1.08 -0.95 0.24 0.00 -1.84 0.00 0.00 35.03 33.56 1p8a n LYS 98 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1p8a n PRO 99 N 1.02 -2.67 -0.31 1.97 -0.04 -1.26 -4.99 135.00 128.72 1p8a n PRO 99 Ca 0.16 -1.83 0.09 0.00 -0.04 0.00 0.00 63.50 61.88 1p8a n PRO 99 Cb 0.27 -1.57 0.22 0.00 -0.04 0.00 0.00 33.50 32.38 1p8a n PRO 99 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1p8a n SER 100 N -4.61 3.33 -2.97 3.54 7.64 -1.26 -4.80 113.62 114.49 1p8a n SER 100 Ca 0.16 -3.03 -0.12 0.00 1.01 0.00 0.00 58.87 56.88 1p8a n SER 100 Cb 0.58 -0.50 -0.02 0.00 -1.01 0.00 0.00 64.21 63.26 1p8a n SER 100 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1p8a n ASN 101 N -0.83 -2.39 -1.46 6.43 6.94 -1.26 -5.14 115.26 117.55 1p8a n ASN 101 Ca 0.19 -2.77 -0.04 0.00 -0.02 0.00 0.00 54.58 51.94 1p8a n ASN 101 Cb 0.80 0.97 -0.01 0.00 -2.36 0.00 0.00 39.78 39.18 1p8a n ASN 101 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1p8a n ARG 103 N -0.13 1.50 -3.65 0.00 3.00 -1.26 -5.09 116.66 111.03 1p8a n ARG 103 Ca 0.01 -3.73 -0.07 0.00 -0.01 0.00 0.00 57.85 54.05 1p8a n ARG 103 Cb 0.13 -1.83 -0.02 0.00 0.00 0.00 0.00 32.46 30.74 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 -2.67 -1.58 0.21 7.54 0.00 -1.26 -4.78 121.76 119.21 1p8a s ALA 104 Ca 0.42 0.31 -0.03 0.00 0.00 0.00 0.00 51.96 52.67 1p8a s ALA 104 Cb 0.33 0.69 -0.04 0.00 0.00 0.00 0.00 23.12 24.11 1p8a s ALA 104 CO -0.09 -0.90 0.18 0.21 0.00 0.00 0.00 175.76 175.16 1p8a s LYS 105 N -3.50 1.25 0.37 0.00 2.20 -1.16 -5.00 119.74 113.91 1p8a s LYS 105 Ca 0.08 -1.58 0.08 0.00 -0.36 0.00 0.00 55.97 54.18 1p8a s LYS 105 Cb -0.02 0.30 -0.04 0.00 -1.51 0.00 0.00 37.83 36.55 1p8a s LYS 105 CO -0.03 -0.43 0.19 0.14 -0.36 0.00 0.00 175.35 174.86 1p8a s VAL 106 N -4.13 2.77 0.09 4.02 -7.23 -1.26 0.26 120.40 114.92 1p8a s VAL 106 Ca 0.37 -1.64 -0.18 0.00 -1.81 0.00 0.00 61.98 58.72 1p8a s VAL 106 Cb 0.06 -2.99 0.04 0.00 0.56 0.00 0.00 36.38 34.05 1p8a s VAL 106 CO 0.12 -0.10 0.43 0.68 -0.31 0.00 0.00 175.10 175.92 1p8a s VAL 107 N -2.48 0.06 -0.19 1.32 -7.23 0.14 -4.84 120.40 107.17 1p8a s VAL 107 Ca 0.40 -0.45 -0.16 0.00 -1.81 0.00 0.00 61.98 59.96 1p8a s VAL 107 Cb -0.01 -1.06 -0.04 0.00 0.56 0.00 0.00 36.38 35.83 1p8a s VAL 107 CO 0.23 -0.25 0.38 -0.22 -0.31 0.00 0.00 175.10 174.94 1p8a s LEU 108 N -2.41 4.17 -0.84 1.32 0.20 -1.26 -1.35 118.68 118.50 1p8a s LEU 108 Ca -0.01 0.51 -0.20 0.00 0.69 0.00 0.00 54.13 55.13 1p8a s LEU 108 Cb 0.00 -2.49 0.11 0.00 -0.43 0.00 0.00 46.19 43.38 1p8a s LEU 108 CO -0.07 -0.05 1.05 0.12 -0.29 0.00 0.00 176.35 177.11 1p8a s PHE 109 N 1.19 3.00 0.47 5.38 5.36 0.21 -4.90 117.98 128.69 1p8a s PHE 109 Ca 0.19 -1.15 0.00 0.00 -0.96 0.00 0.00 56.93 55.00 1p8a s PHE 109 Cb -0.15 -4.26 0.00 0.00 -0.34 0.00 0.00 43.02 38.27 1p8a s PHE 109 CO 0.08 -1.51 0.00 -1.71 -1.46 0.00 0.00 175.22 170.61 1p8a n ASN 110 N 6.80 -5.84 -4.32 6.13 5.15 -1.26 -4.77 115.26 117.15 1p8a n ASN 110 Ca 0.14 1.11 -0.29 0.00 -0.60 0.00 0.00 54.58 54.94 1p8a n ASN 110 Cb 0.48 -3.68 0.18 0.00 -0.53 0.00 0.00 39.78 36.22 1p8a n ASN 110 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1p8a s PRO 111 N -4.06 0.27 -0.26 1.20 0.04 -1.26 -4.86 135.00 126.07 1p8a s PRO 111 Ca 0.00 0.00 -0.05 0.00 0.04 0.00 0.00 61.00 61.00 1p8a s PRO 111 Cb 0.00 -1.76 -0.15 0.00 0.04 0.00 0.00 34.50 32.62 1p8a s PRO 111 CO 0.00 -2.73 2.53 -0.35 0.04 0.00 0.00 177.00 176.49 1p8a n PRO 112 N -4.08 1.62 0.13 0.56 -0.04 -1.26 -3.75 135.00 128.18 1p8a n PRO 112 Ca 0.11 -0.90 0.00 0.00 -0.04 0.00 0.00 63.50 62.66 1p8a n PRO 112 Cb 0.59 -2.00 0.00 0.00 -0.04 0.00 0.00 33.50 32.05 1p8a n PRO 112 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1p8a n ASN 113 N 3.00 -0.07 -0.06 3.54 5.15 -1.26 -4.78 115.26 120.78 1p8a n ASN 113 Ca 0.35 0.45 -0.12 0.00 -0.60 0.00 0.00 54.58 54.65 1p8a n ASN 113 Cb 0.50 0.34 -0.06 0.00 -0.53 0.00 0.00 39.78 40.03 1p8a n ASN 113 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 1p8a h GLY 114 N 0.00 0.35 -4.22 8.20 0.00 -1.95 -3.09 103.07 102.37 1p8a h GLY 114 Ca 0.00 -0.29 -0.49 0.00 0.00 0.00 0.00 47.33 46.54 1p8a h GLY 114 CO 0.00 0.27 0.51 3.33 0.00 0.00 0.00 176.54 180.65 1p8a n VAL 115 N -4.66 3.22 -3.69 4.60 0.24 -1.26 -4.65 118.33 112.12 1p8a n VAL 115 Ca -0.05 -2.73 -0.25 0.00 -2.04 0.00 0.00 64.34 59.27 1p8a n VAL 115 Cb 0.27 -1.44 -0.17 0.00 -1.47 0.00 0.00 33.84 31.03 1p8a n VAL 115 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1p8a s ASP 116 N -0.05 2.19 0.00 -1.34 -1.08 -1.17 -4.77 116.67 110.45 1p8a s ASP 116 Ca 0.51 -0.47 -0.00 0.00 -0.52 0.00 0.00 52.55 52.07 1p8a s ASP 116 Cb 0.36 -0.39 -0.00 0.00 -1.46 0.00 0.00 42.92 41.43 1p8a s ASP 116 CO -0.16 -0.29 -0.00 1.51 0.52 0.00 0.00 175.17 176.75 1p8a s ASP 117 N 2.02 0.06 0.19 -0.34 -4.77 -1.26 -4.91 116.67 107.65 1p8a s ASP 117 Ca 0.02 -0.12 0.23 0.00 -3.30 0.00 0.00 52.55 49.38 1p8a s ASP 117 Cb -0.15 0.04 0.91 0.00 -1.09 0.00 0.00 42.92 42.62 1p8a s ASP 117 CO -0.07 -0.08 1.70 -0.81 0.70 0.00 0.00 175.17 176.61 1p8a n PRO 118 N 2.68 0.17 -3.89 2.11 -0.04 -1.26 -4.89 135.00 129.88 1p8a n PRO 118 Ca -0.15 0.32 -0.31 0.00 -0.04 0.00 0.00 63.50 63.32 1p8a n PRO 118 Cb 0.59 -1.78 0.00 0.00 -0.04 0.00 0.00 33.50 32.27 1p8a n PRO 118 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 1p8a n TYR 119 N -2.08 -1.98 0.02 0.54 9.36 -1.26 -4.85 117.16 116.90 1p8a n TYR 119 Ca 0.03 0.76 -0.13 0.00 3.32 0.00 0.00 57.90 61.89 1p8a n TYR 119 Cb 0.27 -3.37 -0.09 0.00 -0.63 0.00 0.00 39.34 35.53 1p8a n TYR 119 CO 0.00 0.00 0.00 1.88 0.22 0.00 0.00 176.86 178.96 1p8a h TYR 120 N -1.61 -0.03 0.00 2.98 0.05 -1.97 -3.46 116.97 112.94 1p8a h TYR 120 Ca -0.55 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.23 1p8a h TYR 120 Cb 1.36 0.01 0.00 0.00 1.01 0.00 0.00 36.73 39.11 1p8a h TYR 120 CO 0.62 0.26 0.00 0.43 -1.05 0.00 0.00 178.16 178.42 1p8a n SER 121 N -4.97 -0.01 -2.74 3.88 7.64 -1.26 -5.01 113.62 111.15 1p8a n SER 121 Ca -0.08 0.02 -0.04 0.00 1.01 0.00 0.00 58.87 59.78 1p8a n SER 121 Cb 0.16 0.01 0.06 0.00 -1.01 0.00 0.00 64.21 63.44 1p8a n SER 121 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1p8a n SER 122 N -2.54 0.72 -0.16 6.43 3.41 -1.26 -4.87 113.62 115.36 1p8a n SER 122 Ca 0.00 -2.31 0.08 0.00 -0.26 0.00 0.00 58.87 56.39 1p8a n SER 122 Cb 0.00 -0.17 -0.06 0.00 -0.26 0.00 0.00 64.21 63.72 1p8a n SER 122 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1p8a n ASP 123 N -0.57 1.19 0.00 4.04 -0.08 -1.26 -4.44 116.55 115.42 1p8a n ASP 123 Ca 0.03 -1.09 -0.21 0.00 -1.51 0.00 0.00 54.79 52.00 1p8a n ASP 123 Cb 0.82 0.80 -0.14 0.00 2.34 0.00 0.00 41.12 44.94 1p8a n ASP 123 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1p8a n GLY 124 N 1.35 -0.55 0.29 0.27 0.00 -1.26 -3.33 105.19 101.96 1p8a n GLY 124 Ca 0.05 -0.28 0.07 0.00 0.00 0.00 0.00 46.02 45.86 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 0.07 -0.06 0.28 1.61 0.04 -1.94 2.44 116.94 119.37 1p8a h PHE 125 Ca -0.43 0.06 -0.01 0.00 2.80 0.00 0.00 57.97 60.39 1p8a h PHE 125 Cb 2.03 0.16 0.00 0.00 2.20 0.00 0.00 35.95 40.34 1p8a h PHE 125 CO 0.08 -0.28 -0.13 -1.00 -0.60 0.00 0.00 178.31 176.37 1p8a h PRO 126 N 0.09 -0.36 0.57 1.51 0.13 -1.81 -2.99 132.00 129.13 1p8a h PRO 126 Ca 0.45 0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 65.58 1p8a h PRO 126 Cb 0.82 0.08 0.01 0.00 0.13 0.00 0.00 31.00 32.04 1p8a h PRO 126 CO -0.73 -0.07 -0.27 1.15 -0.23 0.00 0.00 178.00 177.86 1p8a h THR 127 N -0.99 0.33 -0.07 1.56 2.02 -1.40 0.27 112.91 114.63 1p8a h THR 127 Ca -0.04 -0.31 0.01 0.00 0.77 0.00 0.00 66.41 66.83 1p8a h THR 127 Cb 0.46 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 1p8a h THR 127 CO 0.06 0.04 -0.04 -0.03 0.37 0.00 0.00 175.52 175.92 1p8a h MET 128 N -0.99 -0.00 -0.63 6.66 -1.53 0.40 0.15 114.93 118.99 1p8a h MET 128 Ca -0.08 0.00 0.07 0.00 -3.44 0.00 0.00 59.70 56.25 1p8a h MET 128 Cb 0.65 0.00 -0.06 0.00 -0.55 0.00 0.00 31.60 31.64 1p8a h MET 128 CO 0.13 -0.00 0.31 0.35 0.14 0.00 0.00 176.91 177.84 1p8a h PHE 129 N -0.00 0.57 -0.31 1.39 3.57 -1.60 0.95 116.94 121.50 1p8a h PHE 129 Ca 0.01 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.58 1p8a h PHE 129 Cb 0.03 -0.16 -0.08 0.00 2.79 0.00 0.00 35.95 38.53 1p8a h PHE 129 CO -0.92 0.24 -0.55 0.00 -2.23 0.00 0.00 178.31 174.85 1p8a h ALA 130 N 1.36 -0.81 -0.33 2.41 0.00 0.12 -0.66 119.26 121.35 1p8a h ALA 130 Ca 0.29 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 1p8a h ALA 130 Cb 0.24 1.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 1p8a h ALA 130 CO -0.22 -1.06 0.06 0.66 0.00 0.00 0.00 179.25 178.69 1p8a h SER 131 N -0.46 0.52 -0.77 0.00 4.64 -0.47 0.39 113.55 117.39 1p8a h SER 131 Ca 0.06 -0.26 0.13 0.00 -0.47 0.00 0.00 61.79 61.25 1p8a h SER 131 Cb 0.63 -0.14 -0.14 0.00 -0.31 0.00 0.00 62.40 62.44 1p8a h SER 131 CO -0.54 0.65 -0.35 0.40 -0.87 0.00 0.00 176.83 176.12 1p8a h ILE 132 N 0.37 0.10 0.19 0.95 1.08 0.05 -0.08 117.51 120.18 1p8a h ILE 132 Ca 0.10 0.00 -0.31 0.00 -0.39 0.00 0.00 64.86 64.26 1p8a h ILE 132 Cb 0.35 0.10 0.02 0.00 -3.07 0.00 0.00 36.82 34.22 1p8a h ILE 132 CO 0.01 0.00 -1.42 0.77 -0.69 0.00 0.00 178.15 176.81 1p8a h SER 133 N -0.09 0.64 -1.00 1.72 4.64 -1.06 -2.62 113.55 115.80 1p8a h SER 133 Ca 0.29 -0.72 0.27 0.00 -0.47 0.00 0.00 61.79 61.16 1p8a h SER 133 Cb 0.57 -0.21 -0.06 0.00 -0.31 0.00 0.00 62.40 62.40 1p8a h SER 133 CO -0.82 1.57 0.69 0.50 -0.87 0.00 0.00 176.83 177.90 1p8a h LYS 134 N 0.11 0.15 -0.01 4.77 3.64 0.11 0.30 116.57 125.64 1p8a h LYS 134 Ca -0.22 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 1p8a h LYS 134 Cb 2.08 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.87 1p8a h LYS 134 CO 0.23 0.10 -0.45 0.39 -2.27 0.00 0.00 179.45 177.46 1p8a n GLU 135 N -4.37 1.51 -0.08 1.90 -0.58 -0.17 -4.30 120.64 114.54 1p8a n GLU 135 Ca 0.22 -0.73 0.01 0.00 -0.42 0.00 0.00 57.16 56.25 1p8a n GLU 135 Cb 0.96 -1.33 0.05 0.00 -0.57 0.00 0.00 31.44 30.55 1p8a n GLU 135 CO 0.00 0.00 0.00 -0.12 -0.48 0.00 0.00 177.13 176.53 1p8a n MET 136 N -0.31 1.37 -0.04 3.49 1.56 0.10 -3.32 117.12 119.99 1p8a n MET 136 Ca 0.07 -0.40 -0.05 0.00 -0.27 0.00 0.00 57.70 57.05 1p8a n MET 136 Cb 0.36 -1.30 -0.02 0.00 2.15 0.00 0.00 33.22 34.41 1p8a n MET 136 CO 0.00 0.00 0.00 1.63 -0.73 0.00 0.00 175.97 176.87 1p8a n LYS 137 N -0.08 0.27 0.00 2.12 5.02 -1.22 -4.21 118.16 120.06 1p8a n LYS 137 Ca 0.04 0.11 0.09 0.00 -2.02 0.00 0.00 58.31 56.53 1p8a n LYS 137 Cb 0.21 -0.93 0.49 0.00 -0.02 0.00 0.00 35.03 34.79 1p8a n LYS 137 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1p8a n PRO 138 N -3.65 0.34 -0.01 1.97 -0.04 -1.26 -3.23 135.00 129.13 1p8a n PRO 138 Ca -0.07 0.08 -0.01 0.00 -0.04 0.00 0.00 63.50 63.47 1p8a n PRO 138 Cb 0.26 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.22 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 -1.22 0.10 -0.34 0.54 7.35 -1.21 -4.28 117.46 118.40 1p8a n PHE 139 Ca 0.10 0.04 0.36 0.00 -0.76 0.00 0.00 57.45 57.20 1p8a n PHE 139 Cb 0.13 -0.25 0.71 0.00 0.35 0.00 0.00 39.48 40.42 1p8a n PHE 139 CO 0.00 0.00 0.00 1.25 -0.76 0.00 0.00 176.76 177.25 1p8a h LEU 140 N -0.15 0.00 0.00 -2.13 7.12 -1.73 0.50 115.31 118.92 1p8a h LEU 140 Ca 0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 1p8a h LEU 140 Cb 0.10 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.23 1p8a h LEU 140 CO 0.00 0.00 0.00 0.41 -0.13 0.00 0.00 178.44 178.72 1p8a n THR 141 N -3.89 0.00 0.68 1.05 -1.04 -1.20 0.32 114.28 110.20 1p8a n THR 141 Ca 0.27 1.33 0.08 0.00 -2.04 0.00 0.00 64.05 63.69 1p8a n THR 141 Cb 1.39 -2.02 0.06 0.00 -1.82 0.00 0.00 70.33 67.94 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 -2.02 1.28 -1.14 -2.82 1.02 -0.99 -2.41 120.64 113.56 1p8a n GLU 142 Ca 0.00 -1.43 -0.05 0.00 -0.02 0.00 0.00 57.16 55.66 1p8a n GLU 142 Cb 0.00 -1.31 0.14 0.00 -0.02 0.00 0.00 31.44 30.25 1p8a n GLU 142 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1p8a n HIS 143 N 0.85 1.03 0.00 -0.32 8.25 0.17 -4.78 115.22 120.43 1p8a n HIS 143 Ca 0.09 -1.77 0.00 0.00 -0.26 0.00 0.00 57.72 55.79 1p8a n HIS 143 Cb 0.40 -0.28 0.00 0.00 1.12 0.00 0.00 29.99 31.23 1p8a n HIS 143 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1p8a n GLY 144 N -0.96 0.12 0.00 -1.41 0.00 -1.11 -4.52 105.19 97.32 1p8a n GLY 144 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.30 1p8a n GLY 144 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1p8a n LEU 145 N 0.00 0.00 0.00 0.99 7.94 0.94 -3.24 117.00 123.64 1p8a n LEU 145 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1p8a n LEU 145 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 1p8a n LEU 145 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.39 176.28