#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 0.00 -3.23 0.00 0.00 -1.26 -4.87 120.51 111.15 1p8a n ALA 2 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1p8a n ALA 2 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 1p8a n ALA 2 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1p8a s GLU 3 N 0.00 1.72 0.00 0.00 2.12 -1.26 -4.92 118.70 116.36 1p8a s GLU 3 Ca 0.00 -1.37 -0.01 0.00 0.36 0.00 0.00 54.97 53.95 1p8a s GLU 3 Cb 0.00 0.49 -0.01 0.00 0.26 0.00 0.00 34.13 34.87 1p8a s GLU 3 CO 0.00 -0.73 0.82 -0.22 -0.54 0.00 0.00 175.26 174.59 1p8a h LYS 4 N 2.18 -0.05 0.00 4.30 1.63 -1.88 -3.49 116.57 119.25 1p8a h LYS 4 Ca -0.27 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.54 1p8a h LYS 4 Cb 1.25 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.89 1p8a h LYS 4 CO 0.36 -0.03 0.00 1.63 -3.45 0.00 0.00 179.45 177.96 1p8a n LYS 5 N -2.17 0.00 -4.41 1.90 5.02 -1.26 -5.05 118.16 112.19 1p8a n LYS 5 Ca -0.01 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.01 1p8a n LYS 5 Cb 0.02 0.00 -0.12 0.00 -0.02 0.00 0.00 35.03 34.91 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 -1.38 2.49 -0.16 7.82 0.00 -1.26 0.18 121.76 129.45 1p8a s ALA 6 Ca 0.00 -1.59 -0.02 0.00 0.00 0.00 0.00 51.96 50.35 1p8a s ALA 6 Cb 0.00 -0.35 -0.02 0.00 0.00 0.00 0.00 23.12 22.75 1p8a s ALA 6 CO 0.00 0.46 -0.07 0.08 0.00 0.00 0.00 175.76 176.23 1p8a s VAL 7 N -1.48 3.45 -1.16 0.00 1.01 -0.20 -1.19 120.40 120.84 1p8a s VAL 7 Ca 0.19 -0.50 -0.14 0.00 0.00 0.00 0.00 61.98 61.52 1p8a s VAL 7 Cb -0.09 -2.51 0.17 0.00 0.00 0.00 0.00 36.38 33.95 1p8a s VAL 7 CO 0.09 0.48 1.37 -0.22 0.00 0.00 0.00 175.10 176.82 1p8a s LEU 8 N 0.66 5.10 -0.14 3.92 2.96 0.14 0.05 118.68 131.37 1p8a s LEU 8 Ca -0.04 -2.86 -0.29 0.00 -0.22 0.00 0.00 54.13 50.72 1p8a s LEU 8 Cb -0.15 -2.39 -0.04 0.00 0.50 0.00 0.00 46.19 44.11 1p8a s LEU 8 CO 0.02 -0.78 1.61 -0.36 -1.32 0.00 0.00 176.35 175.52 1p8a s PHE 9 N 1.67 2.10 0.17 5.38 0.08 0.18 0.20 117.98 127.75 1p8a s PHE 9 Ca 0.41 0.44 0.05 0.00 0.12 0.00 0.00 56.93 57.94 1p8a s PHE 9 Cb -0.03 -3.91 -0.05 0.00 -0.57 0.00 0.00 43.02 38.46 1p8a s PHE 9 CO -0.02 -3.24 -0.09 0.08 -0.10 0.00 0.00 175.22 171.85 1p8a s VAL 10 N 4.60 1.21 -0.33 -0.44 1.01 0.77 -1.50 120.40 125.72 1p8a s VAL 10 Ca 0.71 -2.07 0.13 0.00 0.00 0.00 0.00 61.98 60.75 1p8a s VAL 10 Cb -0.28 -1.96 0.41 0.00 0.00 0.00 0.00 36.38 34.54 1p8a s VAL 10 CO 0.28 -0.65 1.53 0.00 0.00 0.00 0.00 175.10 176.26 1p8a n LEU 12 N -1.52 -5.55 0.00 0.00 4.77 -1.26 -4.18 117.00 109.26 1p8a n LEU 12 Ca -0.17 -0.70 0.00 0.00 -0.03 0.00 0.00 56.01 55.11 1p8a n LEU 12 Cb 0.88 -3.17 0.00 0.00 -2.33 0.00 0.00 43.42 38.79 1p8a n LEU 12 CO -0.15 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 176.58 1p8a n GLY 13 N -1.28 1.29 2.76 -0.72 0.00 -1.26 -4.80 105.19 101.18 1p8a n GLY 13 Ca -0.07 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.85 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 0.00 -5.56 0.00 1.61 5.15 -1.26 -4.27 115.26 110.93 1p8a n ASN 14 Ca 0.00 0.24 0.00 0.00 -0.60 0.00 0.00 54.58 54.22 1p8a n ASN 14 Cb 0.00 -4.04 0.00 0.00 -0.53 0.00 0.00 39.78 35.21 1p8a n ASN 14 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 1p8a n ILE 15 N -2.13 0.00 -4.05 -1.44 5.41 -1.26 -4.40 119.36 111.49 1p8a n ILE 15 Ca -0.10 -0.42 -0.10 0.00 1.00 0.00 0.00 62.75 63.13 1p8a n ILE 15 Cb 0.57 1.13 -0.08 0.00 -0.71 0.00 0.00 39.64 40.55 1p8a n ILE 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1p8a n ARG 17 N -0.17 0.00 -2.69 0.00 1.74 -1.08 -3.71 116.66 110.74 1p8a n ARG 17 Ca -0.06 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 56.94 1p8a n ARG 17 Cb 0.63 0.00 0.09 0.00 -1.02 0.00 0.00 32.46 32.16 1p8a n ARG 17 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1p8a n SER 18 N 2.01 -0.75 0.21 0.55 2.88 -1.26 -4.70 113.62 112.57 1p8a n SER 18 Ca 0.00 -2.58 0.13 0.00 -1.33 0.00 0.00 58.87 55.09 1p8a n SER 18 Cb 0.00 0.50 0.29 0.00 -0.75 0.00 0.00 64.21 64.24 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 2.37 0.00 -0.17 -1.46 0.13 -1.77 -3.06 132.00 128.05 1p8a h PRO 19 Ca -0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 1p8a h PRO 19 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1p8a h PRO 19 CO 0.14 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 177.91 1p8a n ALA 20 N -2.05 2.51 0.19 -0.56 0.00 -1.26 -3.99 120.51 115.35 1p8a n ALA 20 Ca 0.04 -0.42 0.13 0.00 0.00 0.00 0.00 53.44 53.19 1p8a n ALA 20 Cb 0.47 -1.08 0.71 0.00 0.00 0.00 0.00 19.45 19.55 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 0.00 1.02 -0.00 0.00 4.22 -1.85 -0.84 114.58 117.12 1p8a h GLU 22 Ca 0.08 -0.40 -0.01 0.00 0.08 0.00 0.00 59.36 59.11 1p8a h GLU 22 Cb 0.32 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1p8a h GLU 22 CO -0.00 1.09 -0.03 0.78 -2.18 0.00 0.00 179.01 178.67 1p8a h GLY 23 N 0.88 0.03 0.79 1.92 0.00 -1.24 -0.33 103.07 105.12 1p8a h GLY 23 Ca 0.13 -0.04 0.04 0.00 0.00 0.00 0.00 47.33 47.46 1p8a h GLY 23 CO 0.06 0.04 0.36 1.19 0.00 0.00 0.00 176.54 178.18 1p8a h ILE 24 N -0.70 1.02 -0.19 2.60 6.09 -1.27 -0.32 117.51 124.75 1p8a h ILE 24 Ca -0.00 -0.24 -0.12 0.00 -1.37 0.00 0.00 64.86 63.13 1p8a h ILE 24 Cb 0.76 0.27 0.00 0.00 0.47 0.00 0.00 36.82 38.32 1p8a h ILE 24 CO 0.01 0.13 -0.37 0.00 -3.07 0.00 0.00 178.15 174.84 1p8a h ARG 26 N 0.26 1.05 0.08 0.00 2.47 -0.71 0.26 114.38 117.78 1p8a h ARG 26 Ca 0.01 -0.06 -0.29 0.00 -1.26 0.00 0.00 59.98 58.38 1p8a h ARG 26 Cb 0.96 -0.24 0.03 0.00 -1.65 0.00 0.00 29.97 29.07 1p8a h ARG 26 CO 0.08 0.69 -1.18 -0.44 0.56 0.00 0.00 179.97 179.69 1p8a h ASP 27 N 1.08 0.87 0.07 7.04 3.32 -1.01 0.34 116.42 128.13 1p8a h ASP 27 Ca 0.34 -0.77 -0.00 0.00 0.02 0.00 0.00 57.03 56.61 1p8a h ASP 27 Cb 0.00 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.28 1p8a h ASP 27 CO -0.10 1.57 -0.03 0.24 -1.72 0.00 0.00 179.24 179.20 1p8a h MET 28 N 0.31 -0.09 -0.31 3.56 2.86 -0.69 -3.40 114.93 117.17 1p8a h MET 28 Ca -0.17 0.01 -0.24 0.00 -2.06 0.00 0.00 59.70 57.24 1p8a h MET 28 Cb 1.84 0.02 -0.26 0.00 0.06 0.00 0.00 31.60 33.27 1p8a h MET 28 CO 0.23 0.28 -0.68 1.33 1.06 0.00 0.00 176.91 179.13 1p8a n VAL 29 N -4.95 0.49 0.31 -2.22 0.24 0.83 -4.92 118.33 108.11 1p8a n VAL 29 Ca -0.08 -2.00 0.20 0.00 -2.04 0.00 0.00 64.34 60.41 1p8a n VAL 29 Cb 0.22 1.00 1.00 0.00 -1.47 0.00 0.00 33.84 34.59 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 2.06 0.00 1.74 7.63 0.00 0.57 -1.43 103.07 113.63 1p8a h GLY 30 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.07 1p8a h GLY 30 CO 0.07 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.83 1p8a n ASP 31 N -3.18 0.00 0.00 0.19 8.00 -1.26 -4.68 116.55 115.62 1p8a n ASP 31 Ca -0.02 0.27 0.00 0.00 0.71 0.00 0.00 54.79 55.76 1p8a n ASP 31 Cb 0.16 -0.37 0.00 0.00 -0.02 0.00 0.00 41.12 40.89 1p8a n ASP 31 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1p8a n LYS 32 N -1.37 2.25 0.00 -1.24 5.02 -0.54 -5.04 118.16 117.24 1p8a n LYS 32 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 1p8a n LYS 32 Cb 0.10 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.11 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 4.77 -1.26 -4.83 117.00 115.33 1p8a n LEU 33 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1p8a n LEU 33 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1p8a n LEU 33 CO 0.00 0.00 0.00 2.30 -1.33 0.00 0.00 177.39 178.36 1p8a n ILE 34 N 0.00 0.00 -3.46 -0.08 -6.64 0.13 -4.79 119.36 104.53 1p8a n ILE 34 Ca 0.00 0.00 -0.43 0.00 -1.77 0.00 0.00 62.75 60.55 1p8a n ILE 34 Cb 0.00 -0.33 -0.06 0.00 -1.44 0.00 0.00 39.64 37.81 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 -0.47 4.78 -0.22 7.28 1.09 -1.26 -1.03 121.20 131.36 1p8a s ILE 35 Ca 0.00 -2.09 -0.03 0.00 -1.10 0.00 0.00 60.65 57.43 1p8a s ILE 35 Cb 0.00 -4.06 0.07 0.00 -1.06 0.00 0.00 42.46 37.42 1p8a s ILE 35 CO 0.00 -0.89 0.08 -1.81 -0.10 0.00 0.00 174.94 172.22 1p8a s ASP 36 N 2.46 2.99 -0.13 3.58 1.11 0.11 -4.80 116.67 121.99 1p8a s ASP 36 Ca 0.10 -0.95 -0.20 0.00 0.18 0.00 0.00 52.55 51.68 1p8a s ASP 36 Cb -0.22 -0.47 -0.03 0.00 1.07 0.00 0.00 42.92 43.27 1p8a s ASP 36 CO -0.03 -0.36 0.59 -0.44 1.18 0.00 0.00 175.17 176.11 1p8a s SER 37 N 1.97 6.76 0.17 0.27 0.01 -1.26 0.47 113.70 122.09 1p8a s SER 37 Ca 0.03 0.91 -0.06 0.00 1.31 0.00 0.00 55.95 58.15 1p8a s SER 37 Cb -0.17 -2.34 -0.02 0.00 0.21 0.00 0.00 66.02 63.70 1p8a s SER 37 CO -0.16 -0.13 0.21 0.00 0.41 0.00 0.00 173.24 173.57 1p8a s ALA 38 N 1.13 0.44 -0.30 1.44 0.00 -0.56 -4.91 121.76 119.00 1p8a s ALA 38 Ca 0.30 -1.20 -0.05 0.00 0.00 0.00 0.00 51.96 51.01 1p8a s ALA 38 Cb -0.16 0.98 0.19 0.00 0.00 0.00 0.00 23.12 24.13 1p8a s ALA 38 CO 0.12 -0.61 0.80 0.00 0.00 0.00 0.00 175.76 176.07 1p8a s ALA 39 N -4.03 -2.91 -1.12 0.00 0.00 -1.26 -3.90 121.76 108.54 1p8a s ALA 39 Ca 0.24 1.49 -0.21 0.00 0.00 0.00 0.00 51.96 53.48 1p8a s ALA 39 Cb 0.05 -2.44 0.06 0.00 0.00 0.00 0.00 23.12 20.79 1p8a s ALA 39 CO 0.04 -1.58 1.54 -0.08 0.00 0.00 0.00 175.76 175.67 1p8a s THR 40 N 2.90 4.05 0.00 0.00 -1.32 -1.26 -3.23 115.64 116.77 1p8a s THR 40 Ca 0.13 -1.24 0.00 0.00 -1.21 0.00 0.00 61.69 59.37 1p8a s THR 40 Cb -0.11 -5.09 0.00 0.00 -1.51 0.00 0.00 72.50 65.79 1p8a s THR 40 CO -0.19 -1.95 0.00 -1.54 -2.21 0.00 0.00 174.62 168.73 1p8a n SER 41 N 8.55 0.00 -4.56 8.08 3.41 -1.26 -4.83 113.62 123.02 1p8a n SER 41 Ca 0.38 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.62 1p8a n SER 41 Cb 0.49 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.41 1p8a n SER 41 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1p8a s GLY 42 N 0.00 0.77 0.00 5.00 0.00 -1.26 -4.26 107.32 107.57 1p8a s GLY 42 Ca 0.00 -1.62 0.00 0.00 0.00 0.00 0.00 44.72 43.10 1p8a s GLY 42 CO 0.00 2.96 0.00 0.69 0.00 0.00 0.00 173.10 176.75 1p8a n PHE 43 N 10.70 -0.11 -3.49 1.90 3.72 -1.26 -5.04 117.46 123.89 1p8a n PHE 43 Ca 0.25 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.22 1p8a n PHE 43 Cb 0.50 0.03 -0.06 0.00 -0.94 0.00 0.00 39.48 39.01 1p8a n PHE 43 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 176.76 175.70 1p8a s HIS 44 N -1.05 3.55 0.11 1.38 3.76 -1.26 -5.03 115.29 116.74 1p8a s HIS 44 Ca 0.00 -2.15 -0.10 0.00 -0.15 0.00 0.00 55.06 52.66 1p8a s HIS 44 Cb 0.00 -3.56 0.00 0.00 1.11 0.00 0.00 32.58 30.13 1p8a s HIS 44 CO 0.00 -0.95 0.24 0.08 -0.85 0.00 0.00 174.74 173.26 1p8a s VAL 45 N 0.43 0.12 -1.05 -0.90 1.01 -1.26 -4.15 120.40 114.60 1p8a s VAL 45 Ca 0.14 -1.11 0.00 0.00 0.00 0.00 0.00 61.98 61.01 1p8a s VAL 45 Cb -0.18 -1.38 0.00 0.00 0.00 0.00 0.00 36.38 34.82 1p8a s VAL 45 CO -0.05 -0.55 0.00 0.61 0.00 0.00 0.00 175.10 175.12 1p8a n GLY 46 N -0.11 0.28 0.00 4.51 0.00 -1.26 -4.76 105.19 103.84 1p8a n GLY 46 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.25 0.00 -2.63 1.61 10.64 -1.26 -5.09 117.38 118.40 1p8a n GLN 47 Ca -0.12 0.00 -0.00 0.00 -1.83 0.00 0.00 57.00 55.05 1p8a n GLN 47 Cb 0.48 0.00 -0.00 0.00 -0.86 0.00 0.00 30.24 29.86 1p8a n GLN 47 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 1p8a n SER 48 N 0.00 -7.08 -4.58 2.61 7.64 -1.26 -4.74 113.62 106.21 1p8a n SER 48 Ca 0.00 1.34 -0.27 0.00 1.01 0.00 0.00 58.87 60.95 1p8a n SER 48 Cb 0.00 -5.06 -0.06 0.00 -1.01 0.00 0.00 64.21 58.07 1p8a n SER 48 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1p8a s PRO 49 N -1.46 2.44 -0.35 1.43 0.04 -1.26 -4.74 135.00 131.10 1p8a s PRO 49 Ca -0.02 -1.11 0.01 0.00 0.04 0.00 0.00 61.00 59.92 1p8a s PRO 49 Cb 0.00 -5.23 0.38 0.00 0.04 0.00 0.00 34.50 29.70 1p8a s PRO 49 CO 0.74 -4.04 1.76 -3.47 0.04 0.00 0.00 177.00 172.02 1p8a n ASP 50 N 14.62 4.75 0.09 6.66 2.03 -1.26 -4.30 116.55 139.15 1p8a n ASP 50 Ca 0.45 -3.14 -0.06 0.00 0.52 0.00 0.00 54.79 52.55 1p8a n ASP 50 Cb 0.47 -0.84 0.03 0.00 -0.72 0.00 0.00 41.12 40.06 1p8a n ASP 50 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 1p8a h THR 51 N 0.78 1.52 -0.02 5.18 2.02 -1.98 -1.26 112.91 119.15 1p8a h THR 51 Ca 0.41 -2.59 -0.02 0.00 0.77 0.00 0.00 66.41 64.97 1p8a h THR 51 Cb 1.72 2.42 0.00 0.00 -1.74 0.00 0.00 68.15 70.55 1p8a h THR 51 CO 0.84 0.75 -0.08 0.03 0.37 0.00 0.00 175.52 177.43 1p8a h ARG 52 N 0.06 0.09 0.12 6.66 3.08 -1.98 0.17 114.38 122.58 1p8a h ARG 52 Ca -0.02 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 1p8a h ARG 52 Cb 1.42 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.48 1p8a h ARG 52 CO 0.12 0.71 -0.06 1.03 -1.07 0.00 0.00 179.97 180.70 1p8a h SER 53 N -0.52 -0.14 -0.16 7.04 0.87 -1.86 -1.22 113.55 117.55 1p8a h SER 53 Ca -0.00 -0.07 -0.05 0.00 -1.23 0.00 0.00 61.79 60.43 1p8a h SER 53 Cb 0.72 0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.70 1p8a h SER 53 CO 0.02 -0.02 -0.05 0.06 -0.53 0.00 0.00 176.83 176.31 1p8a h GLN 54 N -0.26 0.45 0.30 2.24 -0.00 -1.31 -0.06 115.11 116.47 1p8a h GLN 54 Ca -0.02 -0.10 -0.01 0.00 -0.00 0.00 0.00 58.65 58.52 1p8a h GLN 54 Cb 0.21 -0.06 0.00 0.00 -0.00 0.00 0.00 27.48 27.63 1p8a h GLN 54 CO 0.03 0.52 -0.14 -0.22 -0.00 0.00 0.00 178.83 179.01 1p8a h LYS 55 N 0.43 -0.39 -0.83 0.06 3.64 -0.19 -1.06 116.57 118.23 1p8a h LYS 55 Ca 0.09 0.03 0.17 0.00 -1.27 0.00 0.00 60.65 59.66 1p8a h LYS 55 Cb 0.36 0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 32.20 1p8a h LYS 55 CO 0.02 -0.26 0.55 -0.39 -2.27 0.00 0.00 179.45 177.10 1p8a h VAL 56 N -0.40 0.76 -0.27 2.00 -1.51 -1.22 0.08 116.25 115.71 1p8a h VAL 56 Ca -0.04 -0.16 0.06 0.00 -1.23 0.00 0.00 66.70 65.33 1p8a h VAL 56 Cb 0.31 0.25 -0.06 0.00 -2.13 0.00 0.00 31.29 29.66 1p8a h VAL 56 CO 0.07 0.09 -0.11 0.00 -1.23 0.00 0.00 177.57 176.38 1p8a h LYS 58 N -0.07 0.18 0.00 0.00 1.57 0.12 2.20 116.57 120.56 1p8a h LYS 58 Ca 0.14 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1p8a h LYS 58 Cb 0.28 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1p8a h LYS 58 CO -0.31 0.56 0.00 0.45 -0.57 0.00 0.00 179.45 179.58 1p8a n SER 59 N -4.03 0.02 -0.03 0.86 2.88 -0.11 -3.37 113.62 109.84 1p8a n SER 59 Ca -0.02 0.50 -0.01 0.00 -1.33 0.00 0.00 58.87 58.02 1p8a n SER 59 Cb 0.47 -0.51 -0.06 0.00 -0.75 0.00 0.00 64.21 63.36 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 -1.52 3.22 0.00 -3.46 3.02 0.20 -5.01 115.26 111.72 1p8a n ASN 60 Ca 0.06 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.61 1p8a n ASN 60 Cb 0.29 0.89 0.00 0.00 -0.61 0.00 0.00 39.78 40.35 1p8a n ASN 60 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1p8a n GLY 61 N 2.40 0.07 3.10 7.41 0.00 0.25 -5.07 105.19 113.36 1p8a n GLY 61 Ca -0.09 -0.13 0.01 0.00 0.00 0.00 0.00 46.02 45.82 1p8a n GLY 61 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1p8a s VAL 62 N 0.00 -0.92 -0.19 1.61 1.01 0.68 -4.23 120.40 118.35 1p8a s VAL 62 Ca 0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 61.98 61.91 1p8a s VAL 62 Cb 0.00 -0.97 -0.02 0.00 0.00 0.00 0.00 36.38 35.39 1p8a s VAL 62 CO 0.00 -0.03 -0.01 -0.62 0.00 0.00 0.00 175.10 174.44 1p8a s ASP 63 N 2.80 4.78 0.49 3.32 2.15 -1.25 -0.32 116.67 128.64 1p8a s ASP 63 Ca 0.18 -0.20 0.07 0.00 0.43 0.00 0.00 52.55 53.03 1p8a s ASP 63 Cb -0.15 -1.81 0.02 0.00 -0.30 0.00 0.00 42.92 40.68 1p8a s ASP 63 CO -0.21 0.07 0.48 0.27 -0.17 0.00 0.00 175.17 175.62 1p8a s ILE 64 N 0.93 2.23 0.02 4.11 -4.36 -1.26 -3.63 121.20 119.23 1p8a s ILE 64 Ca 0.01 -1.31 0.00 0.00 -0.26 0.00 0.00 60.65 59.09 1p8a s ILE 64 Cb -0.14 -2.54 0.00 0.00 1.25 0.00 0.00 42.46 41.03 1p8a s ILE 64 CO 0.02 0.00 0.00 -0.24 0.24 0.00 0.00 174.94 174.96 1p8a n SER 65 N -1.77 0.03 -3.43 4.36 2.88 -1.26 -5.01 113.62 109.42 1p8a n SER 65 Ca 0.04 0.03 -0.28 0.00 -1.33 0.00 0.00 58.87 57.33 1p8a n SER 65 Cb 0.62 0.01 -0.11 0.00 -0.75 0.00 0.00 64.21 63.98 1p8a n SER 65 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1p8a s LYS 66 N -2.00 0.68 -1.48 -1.46 3.01 -1.26 -5.02 119.74 112.21 1p8a s LYS 66 Ca 0.00 -1.60 -0.08 0.00 -1.01 0.00 0.00 55.97 53.28 1p8a s LYS 66 Cb 0.00 -1.31 -0.01 0.00 -1.01 0.00 0.00 37.83 35.49 1p8a s LYS 66 CO 0.00 -1.28 2.76 1.04 0.51 0.00 0.00 175.35 178.38 1p8a n GLN 67 N 3.60 4.01 -3.88 1.68 6.02 -1.26 -4.81 117.38 122.74 1p8a n GLN 67 Ca 0.19 -2.65 -0.30 0.00 -0.01 0.00 0.00 57.00 54.22 1p8a n GLN 67 Cb 0.41 -2.72 -0.15 0.00 1.02 0.00 0.00 30.24 28.81 1p8a n GLN 67 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1p8a s ARG 68 N 0.88 1.13 0.98 -1.09 3.52 -1.26 -4.92 118.95 118.18 1p8a s ARG 68 Ca 0.64 -1.53 -0.15 0.00 -0.13 0.00 0.00 55.73 54.56 1p8a s ARG 68 Cb 0.19 -2.63 -0.08 0.00 -1.56 0.00 0.00 34.95 30.86 1p8a s ARG 68 CO -0.07 -0.97 -0.37 0.00 -0.81 0.00 0.00 175.30 173.08 1p8a n ALA 69 N 4.49 -4.44 -2.67 6.12 0.00 -1.26 -4.95 120.51 117.80 1p8a n ALA 69 Ca 0.01 -0.65 -0.02 0.00 0.00 0.00 0.00 53.44 52.78 1p8a n ALA 69 Cb 0.42 -1.38 0.13 0.00 0.00 0.00 0.00 19.45 18.61 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 0.99 1.34 -1.73 0.00 0.00 -1.26 -4.80 116.66 111.20 1p8a n ARG 70 Ca 0.01 -1.21 0.00 0.00 -0.00 0.00 0.00 57.85 56.65 1p8a n ARG 70 Cb 0.55 0.40 0.00 0.00 -0.00 0.00 0.00 32.46 33.41 1p8a n ARG 70 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 1p8a n GLN 71 N -1.49 -4.74 -2.12 2.89 7.27 -1.26 -4.78 117.38 113.15 1p8a n GLN 71 Ca -0.17 3.42 -0.42 0.00 0.07 0.00 0.00 57.00 59.89 1p8a n GLN 71 Cb 0.87 -3.71 -0.03 0.00 2.41 0.00 0.00 30.24 29.78 1p8a n GLN 71 CO 0.00 0.00 0.00 -1.50 0.07 0.00 0.00 177.06 175.63 1p8a s ILE 72 N -1.45 3.58 0.68 1.69 -1.16 -1.20 -4.89 121.20 118.45 1p8a s ILE 72 Ca 0.00 0.90 -0.11 0.00 -0.51 0.00 0.00 60.65 60.93 1p8a s ILE 72 Cb 0.00 -3.58 0.16 0.00 0.61 0.00 0.00 42.46 39.65 1p8a s ILE 72 CO 0.00 -0.03 0.70 0.35 -2.81 0.00 0.00 174.94 173.16 1p8a n THR 73 N 4.93 0.00 0.45 4.00 -2.24 -1.26 -4.97 114.28 115.19 1p8a n THR 73 Ca 0.15 -0.40 0.11 0.00 -2.27 0.00 0.00 64.05 61.65 1p8a n THR 73 Cb 0.43 -1.35 0.03 0.00 -2.10 0.00 0.00 70.33 67.34 1p8a n THR 73 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1p8a n LYS 74 N -3.19 0.37 0.33 -0.78 5.02 -1.26 -3.98 118.16 114.66 1p8a n LYS 74 Ca 0.09 0.02 0.21 0.00 -2.02 0.00 0.00 58.31 56.61 1p8a n LYS 74 Cb 0.35 -1.64 1.12 0.00 -0.02 0.00 0.00 35.03 34.83 1p8a n LYS 74 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1p8a h ALA 75 N 2.41 1.08 -0.79 7.82 0.00 -2.02 -2.23 119.26 125.52 1p8a h ALA 75 Ca 0.00 -0.00 0.23 0.00 0.00 0.00 0.00 54.91 55.14 1p8a h ALA 75 Cb 0.80 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 1p8a h ALA 75 CO 0.00 0.01 0.57 0.38 0.00 0.00 0.00 179.25 180.21 1p8a h ASP 76 N 0.00 0.00 -0.59 0.00 2.03 -1.96 -0.05 116.42 115.85 1p8a h ASP 76 Ca -0.00 0.00 -0.35 0.00 -0.73 0.00 0.00 57.03 55.95 1p8a h ASP 76 Cb 0.06 0.00 -0.13 0.00 -0.83 0.00 0.00 39.33 38.44 1p8a h ASP 76 CO 0.00 0.00 0.08 0.49 -1.03 0.00 0.00 179.24 178.78 1p8a n PHE 77 N -4.29 0.93 0.00 4.15 3.72 -0.84 -4.23 117.46 116.89 1p8a n PHE 77 Ca 0.16 -1.74 0.00 0.00 -0.05 0.00 0.00 57.45 55.82 1p8a n PHE 77 Cb 0.87 -1.41 0.00 0.00 -0.94 0.00 0.00 39.48 38.00 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 1.48 0.00 -0.34 4.37 2.88 -0.67 -4.79 113.62 116.55 1p8a n SER 78 Ca 0.44 0.00 0.36 0.00 -1.33 0.00 0.00 58.87 58.33 1p8a n SER 78 Cb 0.69 0.00 0.62 0.00 -0.75 0.00 0.00 64.21 64.77 1p8a n SER 78 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1p8a h LYS 79 N 0.00 0.00 0.00 -1.46 3.64 -1.24 -3.40 116.57 114.10 1p8a h LYS 79 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1p8a h LYS 79 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1p8a h LYS 79 CO 0.00 0.00 0.00 1.19 -2.27 0.00 0.00 179.45 178.37 1p8a n PHE 80 N -3.59 0.00 0.00 1.91 3.72 -1.26 -4.73 117.46 113.51 1p8a n PHE 80 Ca 0.28 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.68 1p8a n PHE 80 Cb 1.56 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 40.10 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 0.00 0.00 -4.24 4.37 2.03 -1.18 -4.71 116.55 112.82 1p8a n ASP 81 Ca 0.00 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.89 1p8a n ASP 81 Cb 0.00 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.36 1p8a n ASP 81 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1p8a s VAL 82 N -0.08 5.14 -0.28 5.18 1.01 -0.33 0.83 120.40 131.86 1p8a s VAL 82 Ca 0.00 -3.19 -0.29 0.00 0.00 0.00 0.00 61.98 58.50 1p8a s VAL 82 Cb 0.00 -4.16 -0.01 0.00 0.00 0.00 0.00 36.38 32.20 1p8a s VAL 82 CO 0.00 -1.07 1.47 -0.63 0.00 0.00 0.00 175.10 174.87 1p8a s ILE 83 N -0.69 3.89 -0.23 2.22 1.09 -0.26 0.24 121.20 127.46 1p8a s ILE 83 Ca 0.24 0.99 -0.13 0.00 -1.10 0.00 0.00 60.65 60.65 1p8a s ILE 83 Cb -0.11 -3.94 -0.05 0.00 -1.06 0.00 0.00 42.46 37.30 1p8a s ILE 83 CO -0.09 -0.42 0.26 0.00 -0.10 0.00 0.00 174.94 174.60 1p8a s ALA 84 N 4.96 3.58 -0.14 9.38 0.00 0.13 0.24 121.76 139.92 1p8a s ALA 84 Ca 0.64 -0.77 0.01 0.00 0.00 0.00 0.00 51.96 51.85 1p8a s ALA 84 Cb -0.20 -2.48 -0.00 0.00 0.00 0.00 0.00 23.12 20.44 1p8a s ALA 84 CO 0.27 -0.30 -0.17 0.00 0.00 0.00 0.00 175.76 175.56 1p8a s ALA 85 N 1.28 2.43 0.03 0.00 0.00 -0.27 -0.17 121.76 125.07 1p8a s ALA 85 Ca 0.12 -1.01 -0.27 0.00 0.00 0.00 0.00 51.96 50.80 1p8a s ALA 85 Cb -0.14 -1.12 -0.17 0.00 0.00 0.00 0.00 23.12 21.69 1p8a s ALA 85 CO 0.07 0.07 1.39 -0.07 0.00 0.00 0.00 175.76 177.22 1p8a h LEU 86 N 7.10 -0.40 0.00 0.00 4.07 -1.29 -0.92 115.31 123.87 1p8a h LEU 86 Ca -0.29 -0.11 0.00 0.00 0.08 0.00 0.00 57.88 57.56 1p8a h LEU 86 Cb 1.20 0.10 0.00 0.00 1.08 0.00 0.00 40.66 43.05 1p8a h LEU 86 CO 0.55 -0.11 0.00 0.47 -1.08 0.00 0.00 178.44 178.27 1p8a n ASP 87 N -5.20 0.33 -0.06 -0.43 9.92 -1.26 -4.32 116.55 115.53 1p8a n ASP 87 Ca -0.10 -0.54 -0.16 0.00 -0.53 0.00 0.00 54.79 53.46 1p8a n ASP 87 Cb 0.26 0.00 -0.14 0.00 -0.64 0.00 0.00 41.12 40.60 1p8a n ASP 87 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1p8a n GLN 88 N -0.45 0.69 -0.32 -1.24 6.02 -1.26 -4.23 117.38 116.60 1p8a n GLN 88 Ca 0.00 0.19 0.14 0.00 -0.01 0.00 0.00 57.00 57.33 1p8a n GLN 88 Cb 0.00 -1.63 0.30 0.00 1.02 0.00 0.00 30.24 29.93 1p8a n GLN 88 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.06 176.82 1p8a h SER 89 N 0.03 -0.22 -0.24 1.08 0.02 -1.98 0.41 113.55 112.64 1p8a h SER 89 Ca -0.47 0.24 -0.01 0.00 -0.84 0.00 0.00 61.79 60.71 1p8a h SER 89 Cb 2.02 0.37 -0.01 0.00 0.14 0.00 0.00 62.40 64.92 1p8a h SER 89 CO 0.02 -0.27 0.11 0.40 -1.14 0.00 0.00 176.83 175.95 1p8a h ILE 90 N 0.09 1.15 -0.08 3.27 5.03 -1.96 0.39 117.51 125.39 1p8a h ILE 90 Ca 0.58 -0.42 -0.02 0.00 -0.12 0.00 0.00 64.86 64.88 1p8a h ILE 90 Cb 1.22 0.99 -0.01 0.00 -3.03 0.00 0.00 36.82 35.99 1p8a h ILE 90 CO -0.79 0.14 -0.06 0.25 -0.68 0.00 0.00 178.15 177.02 1p8a h LEU 91 N 0.25 0.10 -0.03 1.44 5.85 -0.50 0.32 115.31 122.74 1p8a h LEU 91 Ca 0.08 -0.01 -0.21 0.00 0.84 0.00 0.00 57.88 58.58 1p8a h LEU 91 Cb 0.13 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 1p8a h LEU 91 CO -0.01 0.18 -1.01 -1.28 -0.34 0.00 0.00 178.44 175.98 1p8a h SER 92 N 0.11 0.07 0.01 1.25 0.87 -0.31 -3.18 113.55 112.37 1p8a h SER 92 Ca 0.03 -0.07 -0.00 0.00 -1.23 0.00 0.00 61.79 60.51 1p8a h SER 92 Cb 0.18 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.12 1p8a h SER 92 CO 0.01 1.03 -0.00 0.44 -0.53 0.00 0.00 176.83 177.78 1p8a h ASP 93 N 0.01 -0.01 -0.86 6.23 3.32 -0.23 -2.88 116.42 121.99 1p8a h ASP 93 Ca -0.03 -0.47 0.21 0.00 0.02 0.00 0.00 57.03 56.77 1p8a h ASP 93 Cb 1.76 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 41.18 1p8a h ASP 93 CO 0.14 0.72 0.32 -0.29 -1.72 0.00 0.00 179.24 178.40 1p8a h ILE 94 N -1.00 0.44 0.00 0.35 2.10 -1.11 0.81 117.51 119.10 1p8a h ILE 94 Ca -0.00 -0.11 -0.04 0.00 1.08 0.00 0.00 64.86 65.78 1p8a h ILE 94 Cb 0.47 0.08 -0.01 0.00 -1.09 0.00 0.00 36.82 36.28 1p8a h ILE 94 CO 0.00 0.06 -0.20 -1.13 -1.08 0.00 0.00 178.15 175.80 1p8a h ASN 95 N 0.33 0.00 0.39 2.19 -0.73 -1.66 -2.06 115.58 114.04 1p8a h ASN 95 Ca 0.53 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.70 1p8a h ASN 95 Cb 1.02 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.61 1p8a h ASN 95 CO -0.56 0.20 0.00 -0.24 -0.37 0.00 0.00 177.43 176.47 1p8a n SER 96 N -3.38 0.05 -0.02 1.15 2.88 0.28 -3.66 113.62 110.92 1p8a n SER 96 Ca 0.00 0.51 -0.05 0.00 -1.33 0.00 0.00 58.87 58.01 1p8a n SER 96 Cb 0.41 -0.52 -0.02 0.00 -0.75 0.00 0.00 64.21 63.33 1p8a n SER 96 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 1p8a n MET 97 N -1.55 0.10 -1.51 -1.46 2.81 -0.99 -5.02 117.12 109.49 1p8a n MET 97 Ca 0.03 0.04 -0.59 0.00 -1.81 0.00 0.00 57.70 55.37 1p8a n MET 97 Cb 0.13 -0.67 -0.08 0.00 -0.71 0.00 0.00 33.22 31.90 1p8a n MET 97 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1p8a n LYS 98 N -3.25 0.11 0.00 0.03 5.02 -0.81 -4.93 118.16 114.33 1p8a n LYS 98 Ca -0.09 0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 1p8a n LYS 98 Cb 0.52 -1.55 0.00 0.00 -0.02 0.00 0.00 35.03 33.98 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 1.66 0.39 -1.15 1.97 -0.04 -1.26 -4.93 135.00 131.63 1p8a n PRO 99 Ca 0.20 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.48 1p8a n PRO 99 Cb 0.09 0.00 0.21 0.00 -0.04 0.00 0.00 33.50 33.76 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 -1.06 3.88 -3.33 3.54 2.88 -1.26 -4.76 113.62 113.51 1p8a n SER 100 Ca 0.00 -3.54 -0.12 0.00 -1.33 0.00 0.00 58.87 53.88 1p8a n SER 100 Cb 0.00 -0.80 -0.06 0.00 -0.75 0.00 0.00 64.21 62.59 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 -1.35 0.62 0.35 -3.46 2.20 -1.26 -5.14 114.94 106.91 1p8a s ASN 101 Ca 0.56 -1.03 -0.03 0.00 -0.94 0.00 0.00 52.86 51.41 1p8a s ASN 101 Cb 0.47 0.91 0.01 0.00 -2.00 0.00 0.00 41.25 40.63 1p8a s ASN 101 CO 0.11 -0.29 0.51 0.00 -2.94 0.00 0.00 177.10 174.49 1p8a n ARG 103 N -0.58 0.69 -3.87 0.00 0.00 -1.26 -5.03 116.66 106.62 1p8a n ARG 103 Ca 0.00 -0.68 -0.36 0.00 -0.00 0.00 0.00 57.85 56.82 1p8a n ARG 103 Cb 0.61 -0.70 -0.12 0.00 -0.00 0.00 0.00 32.46 32.25 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 -0.28 3.20 0.54 2.89 0.00 -1.26 -4.89 121.76 121.95 1p8a s ALA 104 Ca 0.00 -1.03 -0.06 0.00 0.00 0.00 0.00 51.96 50.88 1p8a s ALA 104 Cb 0.00 -2.00 -0.02 0.00 0.00 0.00 0.00 23.12 21.10 1p8a s ALA 104 CO 0.00 -0.29 0.85 0.21 0.00 0.00 0.00 175.76 176.53 1p8a s LYS 105 N 1.26 3.25 -0.10 0.00 2.20 0.24 -4.91 119.74 121.68 1p8a s LYS 105 Ca 0.05 0.13 0.02 0.00 -0.36 0.00 0.00 55.97 55.80 1p8a s LYS 105 Cb -0.15 -2.31 0.01 0.00 -1.51 0.00 0.00 37.83 33.87 1p8a s LYS 105 CO 0.03 -0.45 -0.16 0.14 -0.36 0.00 0.00 175.35 174.55 1p8a s VAL 106 N -2.88 1.50 0.26 4.02 -7.23 -1.26 -1.10 120.40 113.71 1p8a s VAL 106 Ca 0.51 -0.66 0.11 0.00 -1.81 0.00 0.00 61.98 60.13 1p8a s VAL 106 Cb -0.10 -1.36 -0.05 0.00 0.56 0.00 0.00 36.38 35.43 1p8a s VAL 106 CO 0.45 0.44 -0.19 -0.69 -0.31 0.00 0.00 175.10 174.80 1p8a s VAL 107 N 0.81 2.33 -0.02 1.32 1.01 0.14 -4.91 120.40 121.09 1p8a s VAL 107 Ca -0.10 -2.33 0.06 0.00 0.00 0.00 0.00 61.98 59.60 1p8a s VAL 107 Cb -0.16 -2.23 -0.03 0.00 0.00 0.00 0.00 36.38 33.97 1p8a s VAL 107 CO 0.01 -0.41 -0.20 -0.22 0.00 0.00 0.00 175.10 174.29 1p8a s LEU 108 N -3.39 2.46 -0.34 3.92 0.20 -1.26 -1.11 118.68 119.15 1p8a s LEU 108 Ca 0.28 -0.36 -0.11 0.00 0.69 0.00 0.00 54.13 54.63 1p8a s LEU 108 Cb -0.05 -1.46 0.01 0.00 -0.43 0.00 0.00 46.19 44.26 1p8a s LEU 108 CO 0.13 0.31 0.19 -0.36 -0.29 0.00 0.00 176.35 176.33 1p8a s PHE 109 N -0.74 3.21 0.55 5.38 0.08 -0.35 -4.88 117.98 121.23 1p8a s PHE 109 Ca 0.12 -0.70 0.00 0.00 0.12 0.00 0.00 56.93 56.47 1p8a s PHE 109 Cb -0.10 -2.41 0.00 0.00 -0.57 0.00 0.00 43.02 39.94 1p8a s PHE 109 CO 0.01 -0.53 0.00 -1.71 -0.10 0.00 0.00 175.22 172.89 1p8a n ASN 110 N 5.01 -8.46 -4.14 1.36 5.15 -1.26 -4.67 115.26 108.24 1p8a n ASN 110 Ca -0.13 1.53 -0.30 0.00 -0.60 0.00 0.00 54.58 55.09 1p8a n ASN 110 Cb 0.48 -5.08 0.20 0.00 -0.53 0.00 0.00 39.78 34.85 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 -4.41 -0.07 -0.37 1.20 0.04 -1.26 -4.68 135.00 125.45 1p8a s PRO 111 Ca 0.00 -0.10 -0.04 0.00 0.04 0.00 0.00 61.00 60.90 1p8a s PRO 111 Cb 0.00 -1.73 -0.12 0.00 0.04 0.00 0.00 34.50 32.69 1p8a s PRO 111 CO 0.00 -2.94 2.27 -0.35 0.04 0.00 0.00 177.00 176.01 1p8a n PRO 112 N -4.21 1.56 -0.49 0.56 -0.04 -1.26 -3.13 135.00 127.99 1p8a n PRO 112 Ca 0.12 -0.94 0.00 0.00 -0.04 0.00 0.00 63.50 62.65 1p8a n PRO 112 Cb 0.59 -2.05 0.00 0.00 -0.04 0.00 0.00 33.50 32.00 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 3.27 0.00 0.00 3.54 3.02 -1.26 -5.06 115.26 118.77 1p8a n ASN 113 Ca 0.33 -1.08 0.00 0.00 -0.03 0.00 0.00 54.58 53.81 1p8a n ASN 113 Cb 0.38 -0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.54 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 0.00 0.51 3.57 7.41 0.00 -1.18 -4.96 105.19 110.54 1p8a n GLY 114 Ca 0.00 -0.01 -0.15 0.00 0.00 0.00 0.00 46.02 45.86 1p8a n GLY 114 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1p8a s VAL 115 N 0.05 3.03 -0.06 1.61 1.01 -1.26 -4.85 120.40 119.93 1p8a s VAL 115 Ca 0.00 -0.05 0.02 0.00 0.00 0.00 0.00 61.98 61.96 1p8a s VAL 115 Cb 0.00 -3.68 0.01 0.00 0.00 0.00 0.00 36.38 32.71 1p8a s VAL 115 CO 0.00 -0.06 -0.11 -0.62 0.00 0.00 0.00 175.10 174.30 1p8a s ASP 116 N 9.29 1.62 -0.29 3.32 2.15 -1.26 -4.82 116.67 126.68 1p8a s ASP 116 Ca 0.85 -0.27 0.04 0.00 0.43 0.00 0.00 52.55 53.61 1p8a s ASP 116 Cb -0.08 -0.70 0.20 0.00 -0.30 0.00 0.00 42.92 42.04 1p8a s ASP 116 CO 0.15 0.04 0.59 -0.62 -0.17 0.00 0.00 175.17 175.15 1p8a s ASP 117 N 0.58 -1.55 0.00 -0.34 2.15 -1.26 -4.89 116.67 111.37 1p8a s ASP 117 Ca -0.12 0.32 0.00 0.00 0.43 0.00 0.00 52.55 53.18 1p8a s ASP 117 Cb -0.14 2.05 0.00 0.00 -0.30 0.00 0.00 42.92 44.52 1p8a s ASP 117 CO 0.03 -0.29 0.00 -0.81 -0.17 0.00 0.00 175.17 173.93 1p8a n PRO 118 N 5.42 0.00 -0.83 4.34 -0.04 -1.26 -2.64 135.00 139.99 1p8a n PRO 118 Ca 0.04 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.49 1p8a n PRO 118 Cb 0.53 -0.17 -0.00 0.00 -0.04 0.00 0.00 33.50 33.82 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 -0.00 -0.05 -3.07 0.54 4.19 -1.26 -4.83 117.16 112.67 1p8a n TYR 119 Ca 0.00 -0.08 -0.44 0.00 3.31 0.00 0.00 57.90 60.69 1p8a n TYR 119 Cb 0.00 0.37 -0.05 0.00 0.49 0.00 0.00 39.34 40.15 1p8a n TYR 119 CO 0.00 0.00 0.00 -0.47 0.91 0.00 0.00 176.86 177.30 1p8a s TYR 120 N 0.00 2.95 0.42 2.98 6.14 -1.26 -4.94 117.35 123.64 1p8a s TYR 120 Ca 0.00 -0.70 0.00 0.00 0.64 0.00 0.00 57.07 57.02 1p8a s TYR 120 Cb 0.01 -3.90 0.00 0.00 0.42 0.00 0.00 41.96 38.49 1p8a s TYR 120 CO -0.00 -1.26 0.00 0.43 0.64 0.00 0.00 175.55 175.35 1p8a n SER 121 N 6.56 -8.36 -3.41 4.32 7.64 -1.26 -3.66 113.62 115.44 1p8a n SER 121 Ca -0.07 0.83 -0.33 0.00 1.01 0.00 0.00 58.87 60.31 1p8a n SER 121 Cb 0.44 -4.47 -0.04 0.00 -1.01 0.00 0.00 64.21 59.13 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 -4.33 3.41 -4.32 6.43 7.64 -1.26 -4.84 113.62 116.35 1p8a n SER 122 Ca -0.02 -2.50 -0.33 0.00 1.01 0.00 0.00 58.87 57.03 1p8a n SER 122 Cb 0.67 -1.08 -0.15 0.00 -1.01 0.00 0.00 64.21 62.64 1p8a n SER 122 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1p8a s ASP 123 N 4.36 3.72 0.00 6.43 1.11 -1.24 -4.60 116.67 126.45 1p8a s ASP 123 Ca 0.48 -0.41 0.00 0.00 0.18 0.00 0.00 52.55 52.80 1p8a s ASP 123 Cb 0.12 -1.55 0.00 0.00 1.07 0.00 0.00 42.92 42.56 1p8a s ASP 123 CO 0.05 0.15 0.00 0.61 1.18 0.00 0.00 175.17 177.17 1p8a n GLY 124 N 3.59 2.21 0.34 0.21 0.00 -1.26 -4.84 105.19 105.44 1p8a n GLY 124 Ca -0.18 -0.50 0.06 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.46 0.25 1.61 0.04 -1.95 1.96 116.94 118.40 1p8a h PHE 125 Ca 0.00 0.08 -0.01 0.00 2.80 0.00 0.00 57.97 60.84 1p8a h PHE 125 Cb 0.00 0.35 0.00 0.00 2.20 0.00 0.00 35.95 38.50 1p8a h PHE 125 CO 0.00 -0.40 -0.12 -1.00 -0.60 0.00 0.00 178.31 176.19 1p8a h PRO 126 N 0.00 -0.32 0.00 1.51 0.13 -1.92 -2.77 132.00 128.63 1p8a h PRO 126 Ca 0.46 0.02 0.03 0.00 -0.87 0.00 0.00 66.00 65.64 1p8a h PRO 126 Cb 0.72 0.07 -0.05 0.00 0.13 0.00 0.00 31.00 31.88 1p8a h PRO 126 CO -0.96 -0.22 -0.30 1.79 -0.23 0.00 0.00 178.00 178.09 1p8a h THR 127 N -0.63 0.34 -0.02 1.56 1.35 -1.84 -1.39 112.91 112.27 1p8a h THR 127 Ca -0.03 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.83 1p8a h THR 127 Cb 0.26 0.34 -0.00 0.00 -1.73 0.00 0.00 68.15 67.01 1p8a h THR 127 CO 0.06 0.00 -0.02 -0.03 -0.25 0.00 0.00 175.52 175.28 1p8a h MET 128 N -0.45 -0.00 -0.81 4.72 -1.53 0.30 0.12 114.93 117.27 1p8a h MET 128 Ca 0.06 0.00 0.17 0.00 -3.44 0.00 0.00 59.70 56.49 1p8a h MET 128 Cb 0.54 0.00 -0.15 0.00 -0.55 0.00 0.00 31.60 31.44 1p8a h MET 128 CO -0.25 -0.00 -0.17 0.35 0.14 0.00 0.00 176.91 176.97 1p8a h PHE 129 N -0.00 -0.38 -0.72 1.39 3.57 -1.33 0.56 116.94 120.03 1p8a h PHE 129 Ca 0.00 0.07 0.16 0.00 3.53 0.00 0.00 57.97 61.74 1p8a h PHE 129 Cb 0.01 0.29 -0.12 0.00 2.79 0.00 0.00 35.95 38.93 1p8a h PHE 129 CO -0.81 -0.34 0.07 0.00 -2.23 0.00 0.00 178.31 175.00 1p8a h ALA 130 N 1.80 0.82 -0.04 2.41 0.00 0.30 0.19 119.26 124.75 1p8a h ALA 130 Ca 0.40 0.21 -0.18 0.00 0.00 0.00 0.00 54.91 55.33 1p8a h ALA 130 Cb 0.62 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1p8a h ALA 130 CO -0.82 -0.39 -0.77 0.77 0.00 0.00 0.00 179.25 178.03 1p8a h SER 131 N 0.16 0.35 -0.58 0.00 0.02 0.17 -0.47 113.55 113.19 1p8a h SER 131 Ca 0.40 -0.25 0.07 0.00 -0.84 0.00 0.00 61.79 61.18 1p8a h SER 131 Cb 0.69 -0.10 -0.06 0.00 0.14 0.00 0.00 62.40 63.07 1p8a h SER 131 CO -0.59 0.99 0.26 0.40 -1.14 0.00 0.00 176.83 176.75 1p8a h ILE 132 N 0.18 0.86 0.17 3.27 1.08 0.27 0.41 117.51 123.75 1p8a h ILE 132 Ca -0.03 -0.16 -0.33 0.00 -0.39 0.00 0.00 64.86 63.94 1p8a h ILE 132 Cb 1.36 0.34 0.01 0.00 -3.07 0.00 0.00 36.82 35.46 1p8a h ILE 132 CO 0.12 0.09 -1.60 -1.28 -0.69 0.00 0.00 178.15 174.79 1p8a h SER 133 N 0.47 0.57 0.69 1.72 0.87 -1.22 -3.05 113.55 113.61 1p8a h SER 133 Ca 0.28 -0.76 0.00 0.00 -1.23 0.00 0.00 61.79 60.08 1p8a h SER 133 Cb 0.28 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.05 1p8a h SER 133 CO -0.24 1.63 0.00 0.11 -0.53 0.00 0.00 176.83 177.80 1p8a h LYS 134 N 0.10 0.00 0.00 2.24 1.79 -0.78 0.45 116.57 120.37 1p8a h LYS 134 Ca -0.28 0.00 -0.30 0.00 -2.18 0.00 0.00 60.65 57.89 1p8a h LYS 134 Cb 2.08 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 32.68 1p8a h LYS 134 CO 0.19 0.00 -1.74 0.39 -1.08 0.00 0.00 179.45 177.21 1p8a n GLU 135 N -2.93 0.64 -0.17 3.15 -0.58 0.14 -4.01 120.64 116.88 1p8a n GLU 135 Ca -0.00 0.29 0.12 0.00 -0.42 0.00 0.00 57.16 57.14 1p8a n GLU 135 Cb 0.23 -1.78 0.21 0.00 -0.57 0.00 0.00 31.44 29.52 1p8a n GLU 135 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 1p8a n MET 136 N -3.05 2.48 -0.09 3.49 2.81 -1.02 -3.92 117.12 117.82 1p8a n MET 136 Ca -0.18 -2.23 -0.18 0.00 -1.81 0.00 0.00 57.70 53.31 1p8a n MET 136 Cb 1.06 -1.51 -0.11 0.00 -0.71 0.00 0.00 33.22 31.95 1p8a n MET 136 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 1p8a h LYS 137 N 4.48 0.00 0.00 0.03 1.57 -1.05 -3.02 116.57 118.58 1p8a h LYS 137 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1p8a h LYS 137 Cb 0.98 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.29 1p8a h LYS 137 CO 0.00 0.90 0.00 -0.35 -0.57 0.00 0.00 179.45 179.43 1p8a n PRO 138 N -4.51 0.33 0.00 3.15 -0.04 -1.26 -3.33 135.00 129.35 1p8a n PRO 138 Ca -0.23 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.23 1p8a n PRO 138 Cb 0.57 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 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 -1.33 0.00 -0.06 0.54 7.35 -1.25 -3.77 117.46 118.93 1p8a n PHE 139 Ca 0.13 0.00 0.23 0.00 -0.76 0.00 0.00 57.45 57.05 1p8a n PHE 139 Cb 0.26 0.00 0.50 0.00 0.35 0.00 0.00 39.48 40.59 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 0.00 0.00 0.02 -2.13 5.85 -1.74 2.79 115.31 120.10 1p8a h LEU 140 Ca 0.00 0.00 -0.30 0.00 0.84 0.00 0.00 57.88 58.42 1p8a h LEU 140 Cb 0.00 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 1p8a h LEU 140 CO 0.00 0.00 -1.68 0.74 -0.34 0.00 0.00 178.44 177.16 1p8a h THR 141 N 0.00 0.90 0.00 1.05 2.02 -1.67 -2.46 112.91 112.75 1p8a h THR 141 Ca 0.35 -2.72 -0.29 0.00 0.77 0.00 0.00 66.41 64.52 1p8a h THR 141 Cb 2.25 2.48 -0.05 0.00 -1.74 0.00 0.00 68.15 71.09 1p8a h THR 141 CO -0.00 0.59 -2.10 -0.62 0.37 0.00 0.00 175.52 173.76 1p8a n GLU 142 N -3.15 0.58 -0.64 6.66 -0.58 0.34 -3.60 120.64 120.26 1p8a n GLU 142 Ca -0.17 0.10 0.50 0.00 -0.42 0.00 0.00 57.16 57.17 1p8a n GLU 142 Cb 1.04 -1.39 0.78 0.00 -0.57 0.00 0.00 31.44 31.30 1p8a n GLU 142 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1p8a h HIS 143 N 0.00 0.00 0.00 -0.32 2.76 0.42 -3.42 115.15 114.60 1p8a h HIS 143 Ca -0.43 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.74 1p8a h HIS 143 Cb 1.69 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.65 1p8a h HIS 143 CO 0.02 0.00 0.00 0.41 -1.30 0.00 0.00 177.93 177.06 1p8a n GLY 144 N -1.90 0.15 0.00 5.26 0.00 -1.26 -5.05 105.19 102.39 1p8a n GLY 144 Ca 0.41 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.23 -4.79 117.00 116.74 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 -0.38 -1.33 0.00 0.00 177.39 175.68