#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p8a s ALA 2 N 0.00 2.70 0.00 0.00 0.00 -1.26 -5.01 121.76 118.19 1p8a s ALA 2 Ca 0.00 -2.51 0.00 0.00 0.00 0.00 0.00 51.96 49.45 1p8a s ALA 2 Cb 0.00 -1.94 0.00 0.00 0.00 0.00 0.00 23.12 21.18 1p8a s ALA 2 CO 0.00 -1.75 0.00 0.39 0.00 0.00 0.00 175.76 174.40 1p8a n GLU 3 N 4.14 0.00 0.00 0.00 -0.58 -1.26 -5.11 120.64 117.83 1p8a n GLU 3 Ca 0.03 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.77 1p8a n GLU 3 Cb 0.40 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.27 1p8a n GLU 3 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 1p8a n LYS 4 N 0.00 0.00 0.00 3.49 0.00 -1.26 -5.04 118.16 115.35 1p8a n LYS 4 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1p8a n LYS 4 Cb 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 35.03 35.01 1p8a n LYS 4 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1p8a n LYS 5 N -2.31 0.00 -3.64 -1.58 5.02 -1.26 -4.17 118.16 110.22 1p8a n LYS 5 Ca 0.00 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.18 1p8a n LYS 5 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 34.94 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 -1.56 -1.78 -0.31 7.82 0.00 -1.26 0.62 121.76 125.28 1p8a s ALA 6 Ca 0.00 2.17 -0.10 0.00 0.00 0.00 0.00 51.96 54.03 1p8a s ALA 6 Cb 0.00 -1.27 -0.01 0.00 0.00 0.00 0.00 23.12 21.85 1p8a s ALA 6 CO 0.00 -0.35 0.16 0.14 0.00 0.00 0.00 175.76 175.71 1p8a s VAL 7 N 0.95 4.64 -0.87 0.00 -7.23 -0.16 -0.45 120.40 117.28 1p8a s VAL 7 Ca -0.05 -0.42 -0.25 0.00 -1.81 0.00 0.00 61.98 59.45 1p8a s VAL 7 Cb -0.05 -3.37 -0.08 0.00 0.56 0.00 0.00 36.38 33.43 1p8a s VAL 7 CO -0.08 0.05 2.11 -0.22 -0.31 0.00 0.00 175.10 176.65 1p8a s LEU 8 N 1.62 3.05 -0.69 1.32 2.96 0.13 -0.28 118.68 126.80 1p8a s LEU 8 Ca 0.05 -0.44 -0.27 0.00 -0.22 0.00 0.00 54.13 53.24 1p8a s LEU 8 Cb -0.17 -2.56 0.02 0.00 0.50 0.00 0.00 46.19 43.98 1p8a s LEU 8 CO 0.06 -3.17 1.34 -0.36 -1.32 0.00 0.00 176.35 172.91 1p8a s PHE 9 N 11.80 2.27 0.23 5.38 0.08 0.18 -1.33 117.98 136.59 1p8a s PHE 9 Ca 0.78 0.15 0.10 0.00 0.12 0.00 0.00 56.93 58.09 1p8a s PHE 9 Cb -0.09 -4.54 -0.04 0.00 -0.57 0.00 0.00 43.02 37.78 1p8a s PHE 9 CO 0.03 -2.02 -0.14 0.08 -0.10 0.00 0.00 175.22 173.07 1p8a s VAL 10 N 5.97 2.86 0.00 -0.44 1.01 -0.47 -1.50 120.40 127.84 1p8a s VAL 10 Ca 0.41 -2.00 0.00 0.00 0.00 0.00 0.00 61.98 60.39 1p8a s VAL 10 Cb -0.09 -2.46 0.00 0.00 0.00 0.00 0.00 36.38 33.84 1p8a s VAL 10 CO 0.18 -0.25 0.00 0.00 0.00 0.00 0.00 175.10 175.04 1p8a n LEU 12 N -1.17 -1.43 0.00 0.00 -0.00 -1.26 -4.53 117.00 108.61 1p8a n LEU 12 Ca 0.00 -1.92 0.00 0.00 -0.00 0.00 0.00 56.01 54.09 1p8a n LEU 12 Cb 0.00 0.60 0.00 0.00 -0.00 0.00 0.00 43.42 44.02 1p8a n LEU 12 CO 0.00 1.62 0.00 0.61 -0.00 0.00 0.00 177.39 179.62 1p8a n GLY 13 N 1.47 1.18 3.30 -3.96 0.00 -1.26 -4.81 105.19 101.10 1p8a n GLY 13 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.63 0.01 1.61 2.85 -1.26 -4.69 115.26 113.14 1p8a n ASN 14 Ca 0.00 0.00 -0.17 0.00 -0.11 0.00 0.00 54.58 54.30 1p8a n ASN 14 Cb 0.00 -1.21 -0.14 0.00 1.24 0.00 0.00 39.78 39.67 1p8a n ASN 14 CO 0.00 0.00 0.00 0.40 -2.11 0.00 0.00 177.26 175.55 1p8a h ILE 15 N 0.00 0.74 -4.17 -1.44 1.08 -1.87 -3.41 117.51 108.44 1p8a h ILE 15 Ca 0.00 -2.49 -0.26 0.00 -0.39 0.00 0.00 64.86 61.73 1p8a h ILE 15 Cb 0.06 2.51 -0.15 0.00 -3.07 0.00 0.00 36.82 36.18 1p8a h ILE 15 CO 0.00 0.78 -0.64 0.00 -0.69 0.00 0.00 178.15 177.60 1p8a n ARG 17 N -0.25 -6.30 0.08 0.00 1.74 -1.26 -4.60 116.66 106.06 1p8a n ARG 17 Ca -0.03 0.70 0.00 0.00 -0.77 0.00 0.00 57.85 57.75 1p8a n ARG 17 Cb 0.65 -5.60 0.00 0.00 -1.02 0.00 0.00 32.46 26.49 1p8a n ARG 17 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1p8a n SER 18 N -2.97 -1.40 0.02 0.55 7.64 -1.26 -3.85 113.62 112.36 1p8a n SER 18 Ca -0.07 0.61 0.09 0.00 1.01 0.00 0.00 58.87 60.51 1p8a n SER 18 Cb 0.58 1.61 0.39 0.00 -1.01 0.00 0.00 64.21 65.78 1p8a n SER 18 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1p8a n PRO 19 N -3.08 0.04 0.17 1.43 -0.04 -1.26 -2.47 135.00 129.78 1p8a n PRO 19 Ca 0.00 0.24 0.13 0.00 -0.04 0.00 0.00 63.50 63.83 1p8a n PRO 19 Cb 0.00 -1.57 0.43 0.00 -0.04 0.00 0.00 33.50 32.32 1p8a n PRO 19 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1p8a h ALA 20 N 2.54 1.00 0.37 0.55 0.00 -1.91 -3.27 119.26 118.55 1p8a h ALA 20 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1p8a h ALA 20 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1p8a h ALA 20 CO 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 179.25 179.07 1p8a h GLU 22 N -0.83 0.15 0.01 0.00 4.81 -1.76 0.55 114.58 117.51 1p8a h GLU 22 Ca -0.05 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1p8a h GLU 22 Cb 0.53 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.88 1p8a h GLU 22 CO 0.08 0.10 -0.01 0.78 -0.73 0.00 0.00 179.01 179.24 1p8a h GLY 23 N 0.15 -0.01 0.59 1.92 0.00 -1.61 0.15 103.07 104.27 1p8a h GLY 23 Ca 0.78 0.01 0.07 0.00 0.00 0.00 0.00 47.33 48.18 1p8a h GLY 23 CO -0.44 -0.01 0.28 1.19 0.00 0.00 0.00 176.54 177.57 1p8a h ILE 24 N -0.61 0.89 -0.01 2.60 6.09 0.11 -0.41 117.51 126.16 1p8a h ILE 24 Ca -0.00 -0.18 -0.13 0.00 -1.37 0.00 0.00 64.86 63.18 1p8a h ILE 24 Cb 0.59 0.32 -0.02 0.00 0.47 0.00 0.00 36.82 38.18 1p8a h ILE 24 CO 0.00 0.10 -0.61 0.00 -3.07 0.00 0.00 178.15 174.57 1p8a h ARG 26 N 0.03 0.75 0.11 0.00 2.47 0.62 0.46 114.38 118.83 1p8a h ARG 26 Ca -0.01 -0.27 -0.29 0.00 -1.26 0.00 0.00 59.98 58.16 1p8a h ARG 26 Cb 1.09 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 29.35 1p8a h ARG 26 CO 0.08 0.86 -1.41 0.22 0.56 0.00 0.00 179.97 180.28 1p8a h ASP 27 N 0.67 0.37 1.11 7.04 3.58 -1.02 0.54 116.42 128.71 1p8a h ASP 27 Ca 0.11 -0.46 -0.16 0.00 0.42 0.00 0.00 57.03 56.93 1p8a h ASP 27 Cb 0.64 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 41.54 1p8a h ASP 27 CO 0.04 1.38 -0.76 -0.03 -2.88 0.00 0.00 179.24 176.99 1p8a h MET 28 N 0.06 0.00 0.00 0.28 4.05 -1.06 -3.40 114.93 114.86 1p8a h MET 28 Ca -0.20 0.00 -0.15 0.00 -0.28 0.00 0.00 59.70 59.08 1p8a h MET 28 Cb 1.99 0.00 -0.12 0.00 -0.80 0.00 0.00 31.60 32.66 1p8a h MET 28 CO 0.17 0.76 -0.22 1.33 0.23 0.00 0.00 176.91 179.18 1p8a n VAL 29 N -3.37 0.00 -1.51 -5.77 0.24 0.15 -5.06 118.33 103.02 1p8a n VAL 29 Ca 0.00 -0.91 -0.29 0.00 -2.04 0.00 0.00 64.34 61.11 1p8a n VAL 29 Cb 0.81 0.91 -0.17 0.00 -1.47 0.00 0.00 33.84 33.93 1p8a n VAL 29 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1p8a n GLY 30 N -1.14 -0.40 0.00 7.63 0.00 0.19 -2.72 105.19 108.74 1p8a n GLY 30 Ca -0.14 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.39 1p8a n GLY 30 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1p8a n ASP 31 N 9.61 0.00 0.00 1.61 2.03 -1.26 -5.02 116.55 123.52 1p8a n ASP 31 Ca 0.62 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.93 1p8a n ASP 31 Cb 0.17 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.57 1p8a n ASP 31 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1p8a n LYS 32 N 0.00 2.74 0.00 -0.67 2.85 -1.10 -5.12 118.16 116.85 1p8a n LYS 32 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1p8a n LYS 32 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1p8a n LYS 32 CO 0.00 0.00 0.00 1.47 -0.05 0.00 0.00 177.40 178.82 1p8a n LEU 33 N 0.00 0.00 -1.79 -5.58 -0.00 -1.26 -4.98 117.00 103.39 1p8a n LEU 33 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1p8a n LEU 33 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1p8a n LEU 33 CO 0.00 0.00 0.00 2.30 -0.00 0.00 0.00 177.39 179.69 1p8a n ILE 34 N -0.61 0.00 -4.41 1.47 -6.64 0.20 -4.83 119.36 104.55 1p8a n ILE 34 Ca 0.00 0.00 -0.22 0.00 -1.77 0.00 0.00 62.75 60.76 1p8a n ILE 34 Cb 0.00 0.00 -0.16 0.00 -1.44 0.00 0.00 39.64 38.04 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 -1.44 0.84 -0.36 7.28 1.01 -1.26 -0.99 121.20 126.28 1p8a s ILE 35 Ca 0.00 -0.35 0.02 0.00 0.00 0.00 0.00 60.65 60.32 1p8a s ILE 35 Cb 0.00 -0.78 0.15 0.00 0.01 0.00 0.00 42.46 41.84 1p8a s ILE 35 CO 0.00 0.28 0.32 -1.81 0.00 0.00 0.00 174.94 173.72 1p8a s ASP 36 N 0.50 1.83 0.03 3.58 1.01 0.62 -4.54 116.67 119.70 1p8a s ASP 36 Ca -0.09 -1.82 -0.30 0.00 0.71 0.00 0.00 52.55 51.05 1p8a s ASP 36 Cb -0.12 0.20 -0.07 0.00 1.01 0.00 0.00 42.92 43.94 1p8a s ASP 36 CO 0.01 -0.28 1.56 -0.44 0.21 0.00 0.00 175.17 176.24 1p8a s SER 37 N 1.28 6.70 0.29 0.27 0.01 -1.26 0.50 113.70 121.48 1p8a s SER 37 Ca 0.17 2.32 0.03 0.00 1.31 0.00 0.00 55.95 59.79 1p8a s SER 37 Cb -0.18 -2.56 -0.03 0.00 0.21 0.00 0.00 66.02 63.46 1p8a s SER 37 CO -0.01 -0.83 0.27 0.00 0.41 0.00 0.00 173.24 173.08 1p8a s ALA 38 N 2.66 1.44 0.00 1.44 0.00 -0.56 -4.86 121.76 121.88 1p8a s ALA 38 Ca 0.70 -1.85 0.00 0.00 0.00 0.00 0.00 51.96 50.81 1p8a s ALA 38 Cb -0.36 1.40 0.00 0.00 0.00 0.00 0.00 23.12 24.16 1p8a s ALA 38 CO 0.30 -0.66 0.00 0.00 0.00 0.00 0.00 175.76 175.39 1p8a n ALA 39 N -0.50 0.00 -2.66 0.00 0.00 -1.26 -3.73 120.51 112.36 1p8a n ALA 39 Ca 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.45 1p8a n ALA 39 Cb 0.63 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.11 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 0.00 -3.17 0.00 5.66 -1.26 -3.10 114.28 112.41 1p8a n THR 40 Ca 0.00 -0.62 0.04 0.00 -3.05 0.00 0.00 64.05 60.42 1p8a n THR 40 Cb 0.00 0.73 -0.01 0.00 -1.55 0.00 0.00 70.33 69.49 1p8a n THR 40 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1p8a s SER 41 N -0.15 -1.02 -0.47 1.09 0.01 -1.26 -4.93 113.70 106.97 1p8a s SER 41 Ca 0.09 0.68 -0.28 0.00 1.31 0.00 0.00 55.95 57.74 1p8a s SER 41 Cb 0.13 1.87 0.01 0.00 0.21 0.00 0.00 66.02 68.24 1p8a s SER 41 CO -0.08 -0.19 1.38 -0.83 0.41 0.00 0.00 173.24 173.93 1p8a s GLY 42 N 2.88 1.05 0.00 3.44 0.00 -1.26 -4.51 107.32 108.93 1p8a s GLY 42 Ca 0.11 -0.38 0.00 0.00 0.00 0.00 0.00 44.72 44.46 1p8a s GLY 42 CO -0.17 2.73 0.00 0.69 0.00 0.00 0.00 173.10 176.35 1p8a n PHE 43 N 8.96 -0.35 -2.95 1.90 3.72 -1.26 -5.05 117.46 122.43 1p8a n PHE 43 Ca 0.15 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.46 1p8a n PHE 43 Cb 0.49 0.08 -0.02 0.00 -0.94 0.00 0.00 39.48 39.09 1p8a n PHE 43 CO 0.00 0.00 0.00 -3.38 -0.05 0.00 0.00 176.76 173.33 1p8a s HIS 44 N -1.16 -1.08 -0.00 1.38 -3.43 -1.26 -4.97 115.29 104.77 1p8a s HIS 44 Ca 0.00 -0.82 0.01 0.00 -0.80 0.00 0.00 55.06 53.45 1p8a s HIS 44 Cb 0.00 0.06 -0.02 0.00 -1.43 0.00 0.00 32.58 31.19 1p8a s HIS 44 CO 0.00 -1.17 0.03 0.28 -2.00 0.00 0.00 174.74 171.87 1p8a n VAL 45 N 3.13 0.01 -1.38 -5.38 0.31 -1.26 -4.64 118.33 109.12 1p8a n VAL 45 Ca 0.19 -0.03 -0.18 0.00 -0.01 0.00 0.00 64.34 64.31 1p8a n VAL 45 Cb 0.54 0.36 0.17 0.00 -0.91 0.00 0.00 33.84 34.00 1p8a n VAL 45 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1p8a n GLY 46 N 2.46 4.93 0.00 2.92 0.00 -1.26 -4.35 105.19 109.89 1p8a n GLY 46 Ca -0.00 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.64 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 -1.09 0.00 -1.85 1.61 10.64 -1.26 -5.13 117.38 120.30 1p8a n GLN 47 Ca 0.49 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.66 1p8a n GLN 47 Cb 1.27 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 30.65 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 -6.79 -4.59 2.61 2.88 -1.26 -4.81 113.62 101.66 1p8a n SER 48 Ca 0.00 1.18 -0.42 0.00 -1.33 0.00 0.00 58.87 58.30 1p8a n SER 48 Cb 0.00 -3.66 -0.03 0.00 -0.75 0.00 0.00 64.21 59.77 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 -1.14 3.19 -0.19 -1.46 0.04 -1.26 -4.85 135.00 129.34 1p8a s PRO 49 Ca 0.00 1.17 0.09 0.00 0.04 0.00 0.00 61.00 62.30 1p8a s PRO 49 Cb 0.00 -4.22 0.58 0.00 0.04 0.00 0.00 34.50 30.90 1p8a s PRO 49 CO 0.00 -2.03 1.43 -0.25 0.04 0.00 0.00 177.00 176.19 1p8a n ASP 50 N 10.70 4.30 0.18 6.66 9.92 -1.26 -4.19 116.55 142.85 1p8a n ASP 50 Ca 0.21 -2.73 0.03 0.00 -0.53 0.00 0.00 54.79 51.77 1p8a n ASP 50 Cb 0.48 -0.65 0.31 0.00 -0.64 0.00 0.00 41.12 40.62 1p8a n ASP 50 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 1p8a h THR 51 N 2.59 1.11 -0.06 -3.53 2.02 -1.99 -1.58 112.91 111.47 1p8a h THR 51 Ca 0.06 -1.62 -0.16 0.00 0.77 0.00 0.00 66.41 65.46 1p8a h THR 51 Cb 1.67 1.93 0.01 0.00 -1.74 0.00 0.00 68.15 70.02 1p8a h THR 51 CO 0.41 0.43 -0.58 -0.09 0.37 0.00 0.00 175.52 176.06 1p8a h ARG 52 N 0.00 0.50 0.41 6.66 2.43 -1.98 0.65 114.38 123.05 1p8a h ARG 52 Ca -0.00 -0.46 -0.02 0.00 -0.81 0.00 0.00 59.98 58.69 1p8a h ARG 52 Cb 0.89 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.55 1p8a h ARG 52 CO 0.06 1.09 -0.20 1.03 -1.51 0.00 0.00 179.97 180.44 1p8a h SER 53 N 0.07 -0.47 -0.88 -3.80 0.87 -1.80 -0.77 113.55 106.77 1p8a h SER 53 Ca -0.05 -0.08 -0.02 0.00 -1.23 0.00 0.00 61.79 60.41 1p8a h SER 53 Cb 1.25 0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 63.28 1p8a h SER 53 CO 0.12 -0.20 0.48 1.56 -0.53 0.00 0.00 176.83 178.26 1p8a h GLN 54 N -0.73 1.23 0.00 2.24 4.20 -1.38 0.02 115.11 120.68 1p8a h GLN 54 Ca -0.06 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.51 1p8a h GLN 54 Cb 0.52 -0.24 0.00 0.00 0.30 0.00 0.00 27.48 28.05 1p8a h GLN 54 CO 0.09 0.90 0.00 1.17 -0.67 0.00 0.00 178.83 180.32 1p8a n LYS 55 N -4.35 0.00 -0.28 1.46 3.00 0.22 -1.27 118.16 116.94 1p8a n LYS 55 Ca 0.09 0.54 0.24 0.00 -0.00 0.00 0.00 58.31 59.18 1p8a n LYS 55 Cb 0.10 -1.44 0.57 0.00 0.00 0.00 0.00 35.03 34.26 1p8a n LYS 55 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.40 177.16 1p8a h VAL 56 N 0.00 0.56 0.06 3.15 3.04 -1.14 0.58 116.25 122.50 1p8a h VAL 56 Ca 0.00 -0.10 0.02 0.00 -1.01 0.00 0.00 66.70 65.61 1p8a h VAL 56 Cb 0.00 0.24 -0.03 0.00 -2.01 0.00 0.00 31.29 29.48 1p8a h VAL 56 CO 0.00 0.05 -0.23 0.00 -1.01 0.00 0.00 177.57 176.39 1p8a h LYS 58 N -0.39 0.00 0.00 0.00 1.57 0.41 0.49 116.57 118.66 1p8a h LYS 58 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1p8a h LYS 58 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1p8a h LYS 58 CO -0.16 0.21 -0.15 0.45 -0.57 0.00 0.00 179.45 179.22 1p8a n SER 59 N -3.48 0.36 -0.04 0.86 2.88 -0.14 -3.84 113.62 110.22 1p8a n SER 59 Ca -0.01 0.35 -0.05 0.00 -1.33 0.00 0.00 58.87 57.84 1p8a n SER 59 Cb 0.38 -0.38 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 1p8a n SER 59 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1p8a n ASN 60 N -1.76 2.91 0.00 -3.46 4.05 0.20 -5.03 115.26 112.17 1p8a n ASN 60 Ca 0.06 -0.01 0.00 0.00 0.45 0.00 0.00 54.58 55.08 1p8a n ASN 60 Cb 0.37 0.56 0.00 0.00 1.23 0.00 0.00 39.78 41.94 1p8a n ASN 60 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1p8a n GLY 61 N 2.55 0.35 0.00 8.20 0.00 0.16 -5.08 105.19 111.37 1p8a n GLY 61 Ca -0.15 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 -5.24 1.61 3.14 -0.14 -4.77 118.33 112.93 1p8a n VAL 62 Ca 0.00 0.00 -0.31 0.00 -2.96 0.00 0.00 64.34 61.07 1p8a n VAL 62 Cb 0.00 0.00 -0.16 0.00 -1.06 0.00 0.00 33.84 32.62 1p8a n VAL 62 CO 0.00 0.00 0.00 1.51 -6.46 0.00 0.00 176.83 171.88 1p8a s ASP 63 N 0.00 3.16 0.00 6.55 -4.77 -1.26 -2.01 116.67 118.33 1p8a s ASP 63 Ca 0.00 -0.47 0.00 0.00 -3.30 0.00 0.00 52.55 48.78 1p8a s ASP 63 Cb 0.00 -0.68 0.00 0.00 -1.09 0.00 0.00 42.92 41.15 1p8a s ASP 63 CO 0.00 0.28 0.00 -0.38 0.70 0.00 0.00 175.17 175.77 1p8a n ILE 64 N 2.73 0.00 -2.78 2.11 5.41 -1.26 -4.48 119.36 121.09 1p8a n ILE 64 Ca -0.17 0.00 -0.03 0.00 1.00 0.00 0.00 62.75 63.55 1p8a n ILE 64 Cb 0.52 -0.74 -0.03 0.00 -0.71 0.00 0.00 39.64 38.68 1p8a n ILE 64 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 1p8a n SER 65 N -2.20 -3.66 -1.68 4.38 7.64 -1.26 -4.79 113.62 112.05 1p8a n SER 65 Ca 0.00 1.21 0.00 0.00 1.01 0.00 0.00 58.87 61.09 1p8a n SER 65 Cb 0.49 -4.13 0.00 0.00 -1.01 0.00 0.00 64.21 59.55 1p8a n SER 65 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1p8a n LYS 66 N 1.75 -4.61 -0.07 1.43 4.76 -1.26 -4.96 118.16 115.20 1p8a n LYS 66 Ca -0.23 3.50 -0.15 0.00 -2.87 0.00 0.00 58.31 58.56 1p8a n LYS 66 Cb 0.40 -4.16 -0.05 0.00 -1.84 0.00 0.00 35.03 29.37 1p8a n LYS 66 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1p8a n GLN 67 N -1.81 0.36 -3.14 1.97 1.13 -1.26 -5.06 117.38 109.57 1p8a n GLN 67 Ca 0.00 0.15 -0.05 0.00 -1.94 0.00 0.00 57.00 55.17 1p8a n GLN 67 Cb 0.26 -1.11 0.02 0.00 0.11 0.00 0.00 30.24 29.52 1p8a n GLN 67 CO 0.00 0.00 0.00 -2.13 -1.44 0.00 0.00 177.06 173.49 1p8a n ARG 68 N -3.86 -1.52 -1.42 -1.09 3.00 -1.26 -4.91 116.66 105.59 1p8a n ARG 68 Ca -0.28 1.32 -0.36 0.00 -0.00 0.00 0.00 57.85 58.54 1p8a n ARG 68 Cb 0.63 -5.64 0.08 0.00 0.00 0.00 0.00 32.46 27.54 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 -2.15 0.07 -3.05 5.13 0.00 -1.26 -5.02 120.51 114.23 1p8a n ALA 69 Ca -0.03 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1p8a n ALA 69 Cb 0.53 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.82 1p8a n ALA 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1p8a n ARG 70 N -1.93 0.47 -4.22 0.00 1.74 -1.26 -4.95 116.66 106.50 1p8a n ARG 70 Ca 0.14 0.00 -0.22 0.00 -0.77 0.00 0.00 57.85 57.00 1p8a n ARG 70 Cb 0.49 0.00 -0.17 0.00 -1.02 0.00 0.00 32.46 31.76 1p8a n ARG 70 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1p8a s GLN 71 N -0.13 1.12 0.95 5.56 2.00 -1.26 -4.50 119.66 123.41 1p8a s GLN 71 Ca 0.00 -0.19 -0.13 0.00 -2.00 0.00 0.00 55.36 53.04 1p8a s GLN 71 Cb 0.00 -1.08 0.00 0.00 0.80 0.00 0.00 33.01 32.73 1p8a s GLN 71 CO 0.00 -0.09 0.21 1.51 -0.50 0.00 0.00 175.29 176.42 1p8a n ILE 72 N 4.16 0.06 -4.47 -2.34 3.06 -1.18 -4.83 119.36 113.81 1p8a n ILE 72 Ca -0.22 -0.25 -0.22 0.00 -2.50 0.00 0.00 62.75 59.56 1p8a n ILE 72 Cb 0.51 -0.52 -0.11 0.00 0.54 0.00 0.00 39.64 40.06 1p8a n ILE 72 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 1p8a s THR 73 N -2.32 1.31 -1.81 9.51 -4.23 -1.26 -4.95 115.64 111.89 1p8a s THR 73 Ca 0.54 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 59.26 1p8a s THR 73 Cb -0.21 -2.82 0.52 0.00 1.34 0.00 0.00 72.50 71.33 1p8a s THR 73 CO 0.70 -0.00 1.65 1.17 -0.54 0.00 0.00 174.62 177.59 1p8a n LYS 74 N -0.72 0.54 0.00 3.99 4.81 -1.26 -2.35 118.16 123.17 1p8a n LYS 74 Ca -0.03 0.03 0.09 0.00 -0.87 0.00 0.00 58.31 57.54 1p8a n LYS 74 Cb 0.67 -1.50 -0.08 0.00 0.02 0.00 0.00 35.03 34.14 1p8a n LYS 74 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1p8a n ALA 75 N -1.10 4.20 -0.35 3.14 0.00 -1.26 -4.43 120.51 120.71 1p8a n ALA 75 Ca 0.14 -0.55 0.25 0.00 0.00 0.00 0.00 53.44 53.27 1p8a n ALA 75 Cb 0.10 -0.69 0.51 0.00 0.00 0.00 0.00 19.45 19.37 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 0.57 0.45 0.80 0.00 2.03 -1.87 1.68 116.42 120.09 1p8a h ASP 76 Ca 0.00 0.11 0.00 0.00 -0.73 0.00 0.00 57.03 56.41 1p8a h ASP 76 Cb 0.51 0.05 0.00 0.00 -0.83 0.00 0.00 39.33 39.06 1p8a h ASP 76 CO 0.00 0.02 0.00 -0.26 -1.03 0.00 0.00 179.24 177.97 1p8a h PHE 77 N 0.36 0.00 0.00 4.15 0.04 -1.82 -2.88 116.94 116.78 1p8a h PHE 77 Ca 0.66 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.43 1p8a h PHE 77 Cb 1.67 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.82 1p8a h PHE 77 CO -0.00 0.00 -0.03 0.43 -0.60 0.00 0.00 178.31 178.11 1p8a n SER 78 N -2.62 1.80 0.01 2.17 7.64 0.52 -4.01 113.62 119.13 1p8a n SER 78 Ca 0.01 -2.22 0.04 0.00 1.01 0.00 0.00 58.87 57.71 1p8a n SER 78 Cb 0.25 -0.14 -0.11 0.00 -1.01 0.00 0.00 64.21 63.21 1p8a n SER 78 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1p8a n LYS 79 N -0.70 0.64 0.00 1.43 3.00 0.17 -5.02 118.16 117.69 1p8a n LYS 79 Ca 0.05 0.04 0.00 0.00 -0.00 0.00 0.00 58.31 58.39 1p8a n LYS 79 Cb 0.41 -1.67 0.00 0.00 0.00 0.00 0.00 35.03 33.77 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 -2.64 0.00 0.00 5.64 3.72 -1.25 -5.00 117.46 117.93 1p8a n PHE 80 Ca -0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.30 1p8a n PHE 80 Cb 0.76 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.30 1p8a n PHE 80 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1p8a n ASP 81 N 0.00 0.73 -4.48 4.37 8.00 -1.24 -4.80 116.55 119.13 1p8a n ASP 81 Ca 0.00 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 55.17 1p8a n ASP 81 Cb 0.00 0.12 -0.13 0.00 -0.02 0.00 0.00 41.12 41.10 1p8a n ASP 81 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1p8a s VAL 82 N -0.56 3.19 -0.10 2.53 1.01 0.41 -2.23 120.40 124.65 1p8a s VAL 82 Ca 0.00 -0.67 -0.06 0.00 0.00 0.00 0.00 61.98 61.25 1p8a s VAL 82 Cb 0.00 -2.27 0.04 0.00 0.00 0.00 0.00 36.38 34.15 1p8a s VAL 82 CO 0.00 0.58 0.23 -0.63 0.00 0.00 0.00 175.10 175.29 1p8a s ILE 83 N -0.61 -0.03 0.15 2.22 1.01 0.76 0.22 121.20 124.93 1p8a s ILE 83 Ca 0.09 0.09 -0.24 0.00 0.00 0.00 0.00 60.65 60.59 1p8a s ILE 83 Cb -0.11 -0.35 0.06 0.00 0.01 0.00 0.00 42.46 42.07 1p8a s ILE 83 CO 0.01 0.04 0.72 0.00 0.00 0.00 0.00 174.94 175.71 1p8a s ALA 84 N 0.81 -1.57 0.20 9.38 0.00 -0.44 0.37 121.76 130.51 1p8a s ALA 84 Ca -0.06 0.39 0.08 0.00 0.00 0.00 0.00 51.96 52.37 1p8a s ALA 84 Cb -0.07 0.77 -0.05 0.00 0.00 0.00 0.00 23.12 23.77 1p8a s ALA 84 CO -0.05 -0.84 -0.15 0.00 0.00 0.00 0.00 175.76 174.73 1p8a s ALA 85 N -3.62 2.02 -0.03 0.00 0.00 -0.04 -1.37 121.76 118.72 1p8a s ALA 85 Ca 0.05 -1.66 -0.05 0.00 0.00 0.00 0.00 51.96 50.30 1p8a s ALA 85 Cb -0.02 -0.09 -0.28 0.00 0.00 0.00 0.00 23.12 22.73 1p8a s ALA 85 CO -0.06 0.07 0.73 1.25 0.00 0.00 0.00 175.76 177.75 1p8a h LEU 86 N 2.58 0.45 0.00 0.00 5.85 -0.61 0.14 115.31 123.72 1p8a h LEU 86 Ca -0.38 -0.69 -0.32 0.00 0.84 0.00 0.00 57.88 57.32 1p8a h LEU 86 Cb 1.22 -0.15 0.01 0.00 0.37 0.00 0.00 40.66 42.11 1p8a h LEU 86 CO 0.62 1.59 -0.07 0.47 -0.34 0.00 0.00 178.44 180.71 1p8a n ASP 87 N -3.48 1.50 -0.03 1.25 9.92 -1.26 -4.51 116.55 119.94 1p8a n ASP 87 Ca -0.21 -2.03 -0.19 0.00 -0.53 0.00 0.00 54.79 51.82 1p8a n ASP 87 Cb 1.06 -0.23 -0.14 0.00 -0.64 0.00 0.00 41.12 41.17 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 -1.73 0.73 -0.33 -1.24 1.13 -1.26 -4.19 117.38 110.48 1p8a n GLN 88 Ca 0.09 0.24 0.25 0.00 -1.94 0.00 0.00 57.00 55.63 1p8a n GLN 88 Cb 0.39 -1.67 0.48 0.00 0.11 0.00 0.00 30.24 29.55 1p8a n GLN 88 CO 0.00 0.00 0.00 0.77 -1.44 0.00 0.00 177.06 176.39 1p8a h SER 89 N 0.05 0.31 -0.66 1.08 0.02 -1.97 0.90 113.55 113.29 1p8a h SER 89 Ca -0.45 0.22 -0.08 0.00 -0.84 0.00 0.00 61.79 60.64 1p8a h SER 89 Cb 2.01 0.23 -0.03 0.00 0.14 0.00 0.00 62.40 64.75 1p8a h SER 89 CO 0.05 -0.27 0.08 0.40 -1.14 0.00 0.00 176.83 175.96 1p8a h ILE 90 N 0.17 1.27 -0.13 3.27 5.03 -1.80 0.20 117.51 125.52 1p8a h ILE 90 Ca 0.75 -1.08 -0.09 0.00 -0.12 0.00 0.00 64.86 64.32 1p8a h ILE 90 Cb 1.79 0.67 -0.01 0.00 -3.03 0.00 0.00 36.82 36.24 1p8a h ILE 90 CO -0.70 0.40 -0.33 0.25 -0.68 0.00 0.00 178.15 177.10 1p8a h LEU 91 N 1.03 0.25 0.02 1.44 5.85 0.59 0.41 115.31 124.89 1p8a h LEU 91 Ca 0.20 -0.09 -0.22 0.00 0.84 0.00 0.00 57.88 58.61 1p8a h LEU 91 Cb 0.48 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 1p8a h LEU 91 CO 0.02 0.57 -1.03 -1.28 -0.34 0.00 0.00 178.44 176.38 1p8a h SER 92 N 0.22 0.05 0.00 1.25 0.87 -0.77 -3.20 113.55 111.97 1p8a h SER 92 Ca 0.03 -0.06 -0.10 0.00 -1.23 0.00 0.00 61.79 60.43 1p8a h SER 92 Cb 0.69 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.62 1p8a h SER 92 CO 0.05 1.04 -0.72 0.44 -0.53 0.00 0.00 176.83 177.11 1p8a h ASP 93 N 0.01 0.00 -0.99 6.23 5.19 -0.74 -3.32 116.42 122.80 1p8a h ASP 93 Ca -0.03 -0.33 0.28 0.00 -0.62 0.00 0.00 57.03 56.33 1p8a h ASP 93 Cb 1.79 0.00 -0.14 0.00 0.18 0.00 0.00 39.33 41.17 1p8a h ASP 93 CO 0.14 1.07 0.55 -0.29 -3.12 0.00 0.00 179.24 177.59 1p8a h ILE 94 N -1.00 0.42 0.00 0.35 2.10 -0.35 1.82 117.51 120.85 1p8a h ILE 94 Ca -0.15 -0.15 0.00 0.00 1.08 0.00 0.00 64.86 65.64 1p8a h ILE 94 Cb 0.85 -0.06 0.00 0.00 -1.09 0.00 0.00 36.82 36.53 1p8a h ILE 94 CO -0.09 0.08 0.00 -3.20 -1.08 0.00 0.00 178.15 173.86 1p8a n ASN 95 N -4.99 0.00 -0.73 2.19 2.85 -1.21 -2.11 115.26 111.26 1p8a n ASN 95 Ca 0.28 0.37 0.12 0.00 -0.11 0.00 0.00 54.58 55.25 1p8a n ASN 95 Cb 0.84 -0.44 0.21 0.00 1.24 0.00 0.00 39.78 41.63 1p8a n ASN 95 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1p8a n SER 96 N -1.44 2.36 0.00 1.20 7.64 0.62 -4.17 113.62 119.83 1p8a n SER 96 Ca 0.05 -1.74 0.00 0.00 1.01 0.00 0.00 58.87 58.19 1p8a n SER 96 Cb 0.18 0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.45 1p8a n SER 96 CO 0.00 0.00 0.00 1.15 -3.01 0.00 0.00 175.04 173.18 1p8a n MET 97 N 0.74 6.10 -1.94 1.43 0.00 -0.90 -5.04 117.12 117.51 1p8a n MET 97 Ca 0.15 -0.00 -0.39 0.00 0.00 0.00 0.00 57.70 57.45 1p8a n MET 97 Cb 0.50 -0.44 0.01 0.00 0.00 0.00 0.00 33.22 33.30 1p8a n MET 97 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 1p8a s LYS 98 N -0.87 3.71 0.00 3.17 1.02 -1.01 -5.01 119.74 120.74 1p8a s LYS 98 Ca 0.00 2.22 0.00 0.00 0.02 0.00 0.00 55.97 58.21 1p8a s LYS 98 Cb 0.00 -2.60 0.00 0.00 -0.52 0.00 0.00 37.83 34.71 1p8a s LYS 98 CO 0.00 -0.73 0.00 -0.35 -0.92 0.00 0.00 175.35 173.35 1p8a n PRO 99 N -0.25 1.08 -0.99 -1.68 -0.04 -1.26 -4.94 135.00 126.92 1p8a n PRO 99 Ca 0.06 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.40 1p8a n PRO 99 Cb 0.44 0.00 0.21 0.00 -0.04 0.00 0.00 33.50 34.11 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 0.00 3.44 -3.48 3.54 7.64 -1.26 -4.91 113.62 118.60 1p8a n SER 100 Ca 0.00 -3.58 0.03 0.00 1.01 0.00 0.00 58.87 56.33 1p8a n SER 100 Cb 0.00 -0.73 -0.05 0.00 -1.01 0.00 0.00 64.21 62.42 1p8a n SER 100 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1p8a s ASN 101 N -1.77 -0.08 0.00 6.43 4.22 -1.26 -5.18 114.94 117.30 1p8a s ASN 101 Ca 0.51 0.12 0.00 0.00 -2.14 0.00 0.00 52.86 51.35 1p8a s ASN 101 Cb 0.44 1.05 0.00 0.00 1.28 0.00 0.00 41.25 44.02 1p8a s ASN 101 CO 0.07 -0.02 0.00 0.00 -2.04 0.00 0.00 177.10 175.11 1p8a n ARG 103 N 0.00 0.00 0.00 0.00 0.00 -1.26 -5.13 116.66 110.27 1p8a n ARG 103 Ca 0.00 -0.30 0.00 0.00 -0.00 0.00 0.00 57.85 57.55 1p8a n ARG 103 Cb 0.00 0.17 0.00 0.00 -0.00 0.00 0.00 32.46 32.63 1p8a n ARG 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1p8a n ALA 104 N 0.00 0.00 -3.44 2.89 0.00 -1.26 -4.87 120.51 113.83 1p8a n ALA 104 Ca -0.08 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.23 1p8a n ALA 104 Cb 0.52 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.87 1p8a n ALA 104 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1p8a s LYS 105 N 3.21 0.27 -0.15 0.00 2.20 -0.95 -4.95 119.74 119.37 1p8a s LYS 105 Ca 0.00 0.45 -0.22 0.00 -0.36 0.00 0.00 55.97 55.83 1p8a s LYS 105 Cb 0.00 -0.68 -0.03 0.00 -1.51 0.00 0.00 37.83 35.61 1p8a s LYS 105 CO 0.00 -0.60 0.69 0.08 -0.36 0.00 0.00 175.35 175.16 1p8a s VAL 106 N 2.46 5.00 0.10 4.02 1.01 -1.22 -0.17 120.40 131.60 1p8a s VAL 106 Ca 0.09 1.36 0.02 0.00 0.00 0.00 0.00 61.98 63.45 1p8a s VAL 106 Cb -0.15 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.17 1p8a s VAL 106 CO -0.14 0.13 -0.07 -0.69 0.00 0.00 0.00 175.10 174.33 1p8a s VAL 107 N 1.63 0.76 -0.28 2.92 1.01 0.16 -4.93 120.40 121.67 1p8a s VAL 107 Ca 0.33 -1.88 0.02 0.00 0.00 0.00 0.00 61.98 60.46 1p8a s VAL 107 Cb -0.16 -1.62 0.07 0.00 0.00 0.00 0.00 36.38 34.67 1p8a s VAL 107 CO 0.13 -0.81 -0.06 -0.22 0.00 0.00 0.00 175.10 174.14 1p8a s LEU 108 N -2.93 3.76 0.00 3.92 0.20 -1.26 -0.86 118.68 121.50 1p8a s LEU 108 Ca 0.11 -1.52 -0.01 0.00 0.69 0.00 0.00 54.13 53.40 1p8a s LEU 108 Cb 0.03 -1.59 0.01 0.00 -0.43 0.00 0.00 46.19 44.22 1p8a s LEU 108 CO -0.03 -0.24 0.03 0.33 -0.29 0.00 0.00 176.35 176.15 1p8a n PHE 109 N 4.43 -1.60 -0.94 5.38 7.35 0.04 -4.85 117.46 127.26 1p8a n PHE 109 Ca -0.11 -0.02 -0.37 0.00 -0.76 0.00 0.00 57.45 56.20 1p8a n PHE 109 Cb 0.42 -0.06 0.06 0.00 0.35 0.00 0.00 39.48 40.25 1p8a n PHE 109 CO 0.00 0.00 0.00 0.27 -0.76 0.00 0.00 176.76 176.27 1p8a n ASN 110 N -2.36 -3.80 -4.26 -2.13 6.94 -1.26 -4.92 115.26 103.47 1p8a n ASN 110 Ca 0.00 0.07 -0.30 0.00 -0.02 0.00 0.00 54.58 54.34 1p8a n ASN 110 Cb 0.02 -0.70 0.19 0.00 -2.36 0.00 0.00 39.78 36.93 1p8a n ASN 110 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 1p8a s PRO 111 N -2.32 0.18 -0.43 -0.53 0.04 -1.26 -4.70 135.00 125.99 1p8a s PRO 111 Ca 0.42 -0.04 -0.05 0.00 0.04 0.00 0.00 61.00 61.37 1p8a s PRO 111 Cb -0.04 -1.76 -0.11 0.00 0.04 0.00 0.00 34.50 32.63 1p8a s PRO 111 CO 0.71 -2.78 2.26 -0.35 0.04 0.00 0.00 177.00 176.88 1p8a n PRO 112 N -4.11 1.62 0.00 0.56 -0.04 -1.26 -3.67 135.00 128.10 1p8a n PRO 112 Ca 0.11 -0.99 0.00 0.00 -0.04 0.00 0.00 63.50 62.58 1p8a n PRO 112 Cb 0.59 -2.09 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 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 3.36 4.83 0.00 3.54 4.13 -1.26 -4.99 115.26 124.86 1p8a n ASN 113 Ca 0.35 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.61 1p8a n ASN 113 Cb 0.36 0.49 0.00 0.00 -1.54 0.00 0.00 39.78 39.09 1p8a n ASN 113 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1p8a n GLY 114 N 2.91 0.14 3.55 7.41 0.00 -1.24 -4.97 105.19 112.99 1p8a n GLY 114 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 46.02 45.43 1p8a n GLY 114 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1p8a n VAL 115 N 0.00 0.01 0.10 1.61 0.24 -1.26 -4.61 118.33 114.42 1p8a n VAL 115 Ca 0.00 -0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1p8a n VAL 115 Cb 0.00 -0.19 0.00 0.00 -1.47 0.00 0.00 33.84 32.18 1p8a n VAL 115 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1p8a n ASP 116 N 2.06 -1.73 -2.71 -1.34 2.03 -1.26 -4.89 116.55 108.70 1p8a n ASP 116 Ca 0.21 0.39 -0.05 0.00 0.52 0.00 0.00 54.79 55.86 1p8a n ASP 116 Cb 0.07 1.86 0.01 0.00 -0.72 0.00 0.00 41.12 42.34 1p8a n ASP 116 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1p8a n ASP 117 N -2.93 -7.54 -4.05 1.67 2.03 -1.24 -4.75 116.55 99.74 1p8a n ASP 117 Ca 0.00 0.73 -0.30 0.00 0.52 0.00 0.00 54.79 55.74 1p8a n ASP 117 Cb 0.00 -5.06 0.21 0.00 -0.72 0.00 0.00 41.12 35.55 1p8a n ASP 117 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1p8a s PRO 118 N -2.22 -0.39 -0.17 -0.67 0.04 -1.26 -4.94 135.00 125.39 1p8a s PRO 118 Ca 0.17 -0.10 0.15 0.00 0.04 0.00 0.00 61.00 61.26 1p8a s PRO 118 Cb -0.05 -1.70 0.37 0.00 0.04 0.00 0.00 34.50 33.16 1p8a s PRO 118 CO 0.72 -3.15 1.21 0.66 0.04 0.00 0.00 177.00 176.48 1p8a n TYR 119 N -4.36 0.13 0.00 0.56 4.02 -1.26 -4.68 117.16 111.58 1p8a n TYR 119 Ca 0.13 -1.21 0.00 0.00 -0.01 0.00 0.00 57.90 56.81 1p8a n TYR 119 Cb 0.59 -0.22 0.00 0.00 -0.02 0.00 0.00 39.34 39.70 1p8a n TYR 119 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 176.86 176.83 1p8a n TYR 120 N -1.24 0.00 -0.95 -0.72 4.19 -1.26 -5.10 117.16 112.07 1p8a n TYR 120 Ca 0.19 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.40 1p8a n TYR 120 Cb 0.70 0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.53 1p8a n TYR 120 CO 0.00 0.00 0.00 0.43 0.91 0.00 0.00 176.86 178.20 1p8a n SER 121 N -1.59 0.00 -2.78 2.98 7.64 -1.26 -5.10 113.62 113.51 1p8a n SER 121 Ca 0.00 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.78 1p8a n SER 121 Cb 0.25 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 63.52 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 0.00 -1.14 0.00 6.43 3.41 -1.26 -4.91 113.62 116.15 1p8a n SER 122 Ca 0.00 -3.00 0.00 0.00 -0.26 0.00 0.00 58.87 55.61 1p8a n SER 122 Cb 0.00 0.85 0.00 0.00 -0.26 0.00 0.00 64.21 64.80 1p8a n SER 122 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1p8a n ASP 123 N -0.06 0.30 0.03 4.04 5.68 -1.26 -4.67 116.55 120.61 1p8a n ASP 123 Ca 0.06 -0.62 0.06 0.00 -0.50 0.00 0.00 54.79 53.79 1p8a n ASP 123 Cb 0.77 0.48 -0.08 0.00 -1.14 0.00 0.00 41.12 41.14 1p8a n ASP 123 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1p8a n GLY 124 N 0.48 -1.22 0.12 6.12 0.00 -1.26 -3.68 105.19 105.75 1p8a n GLY 124 Ca 0.00 -0.30 -0.07 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.11 -0.09 1.61 0.04 -1.92 0.12 116.94 116.59 1p8a h PHE 125 Ca -0.09 0.02 -0.19 0.00 2.80 0.00 0.00 57.97 60.51 1p8a h PHE 125 Cb 1.26 0.09 -0.00 0.00 2.20 0.00 0.00 35.95 39.50 1p8a h PHE 125 CO 0.00 -0.10 -0.73 -1.00 -0.60 0.00 0.00 178.31 175.89 1p8a h PRO 126 N 0.02 0.46 0.17 1.51 0.13 -1.89 -3.26 132.00 129.14 1p8a h PRO 126 Ca 0.13 -0.37 -0.01 0.00 -0.87 0.00 0.00 66.00 64.88 1p8a h PRO 126 Cb 0.19 0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.39 1p8a h PRO 126 CO -0.26 1.00 -0.08 1.15 -0.23 0.00 0.00 178.00 179.59 1p8a h THR 127 N 0.32 0.90 -0.65 1.56 2.02 -1.49 0.34 112.91 115.90 1p8a h THR 127 Ca -0.03 -0.32 0.10 0.00 0.77 0.00 0.00 66.41 66.93 1p8a h THR 127 Cb 1.30 1.10 -0.12 0.00 -1.74 0.00 0.00 68.15 68.70 1p8a h THR 127 CO 0.13 0.08 -0.40 -0.03 0.37 0.00 0.00 175.52 175.67 1p8a h MET 128 N -0.38 -0.16 -0.17 6.66 1.85 -0.85 0.43 114.93 122.30 1p8a h MET 128 Ca -0.02 0.01 -0.10 0.00 -0.61 0.00 0.00 59.70 58.97 1p8a h MET 128 Cb 0.30 0.04 -0.01 0.00 0.43 0.00 0.00 31.60 32.35 1p8a h MET 128 CO 0.04 -0.11 -0.34 0.35 -0.40 0.00 0.00 176.91 176.45 1p8a h PHE 129 N -0.17 0.42 -0.68 1.39 3.04 -1.57 -1.29 116.94 118.08 1p8a h PHE 129 Ca 0.22 -0.10 0.09 0.00 3.98 0.00 0.00 57.97 62.16 1p8a h PHE 129 Cb 0.56 -0.10 -0.04 0.00 2.56 0.00 0.00 35.95 38.93 1p8a h PHE 129 CO -0.71 0.66 0.45 0.00 -2.02 0.00 0.00 178.31 176.69 1p8a h ALA 130 N 1.33 1.87 0.11 2.41 0.00 0.39 0.15 119.26 125.51 1p8a h ALA 130 Ca 0.04 -0.01 -0.29 0.00 0.00 0.00 0.00 54.91 54.65 1p8a h ALA 130 Cb 0.76 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1p8a h ALA 130 CO 0.06 -0.00 -1.50 1.03 0.00 0.00 0.00 179.25 178.83 1p8a h SER 131 N 0.58 0.37 -0.07 0.00 0.87 -0.73 -0.56 113.55 114.02 1p8a h SER 131 Ca 0.31 -0.85 0.02 0.00 -1.23 0.00 0.00 61.79 60.04 1p8a h SER 131 Cb 0.44 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 62.28 1p8a h SER 131 CO -0.10 1.65 0.12 0.40 -0.53 0.00 0.00 176.83 178.37 1p8a h ILE 132 N -0.28 0.29 0.01 2.23 2.04 -0.83 0.42 117.51 121.38 1p8a h ILE 132 Ca -0.33 0.00 -0.41 0.00 1.00 0.00 0.00 64.86 65.13 1p8a h ILE 132 Cb 1.78 0.89 -0.07 0.00 -0.74 0.00 0.00 36.82 38.69 1p8a h ILE 132 CO 0.05 0.00 -2.45 -0.24 0.00 0.00 0.00 178.15 175.51 1p8a n SER 133 N -3.49 1.98 0.00 1.72 2.88 0.47 -3.80 113.62 113.39 1p8a n SER 133 Ca -0.01 0.01 0.11 0.00 -1.33 0.00 0.00 58.87 57.66 1p8a n SER 133 Cb 0.21 -0.55 0.59 0.00 -0.75 0.00 0.00 64.21 63.71 1p8a n SER 133 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1p8a n LYS 134 N -3.55 0.33 -1.61 -1.46 5.02 -0.22 -3.16 118.16 113.51 1p8a n LYS 134 Ca -0.47 0.07 -0.03 0.00 -2.02 0.00 0.00 58.31 55.85 1p8a n LYS 134 Cb 0.96 -1.50 0.08 0.00 -0.02 0.00 0.00 35.03 34.55 1p8a n LYS 134 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1p8a n GLU 135 N -1.28 1.68 -0.00 1.97 -0.58 0.14 -4.72 120.64 117.85 1p8a n GLU 135 Ca 0.11 -3.21 0.02 0.00 -0.42 0.00 0.00 57.16 53.66 1p8a n GLU 135 Cb 0.19 -1.35 -0.02 0.00 -0.57 0.00 0.00 31.44 29.68 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 -0.50 4.47 -0.02 3.49 1.56 -1.19 -4.38 117.12 120.55 1p8a n MET 136 Ca 0.19 -0.01 -0.18 0.00 -0.27 0.00 0.00 57.70 57.44 1p8a n MET 136 Cb 0.90 -0.78 -0.14 0.00 2.15 0.00 0.00 33.22 35.35 1p8a n MET 136 CO 0.00 0.00 0.00 0.87 -0.73 0.00 0.00 175.97 176.11 1p8a h LYS 137 N 0.00 0.13 0.00 2.12 1.57 -1.85 -2.89 116.57 115.66 1p8a h LYS 137 Ca 0.00 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 1p8a h LYS 137 Cb 0.12 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1p8a h LYS 137 CO 0.00 1.11 0.00 -0.35 -0.57 0.00 0.00 179.45 179.64 1p8a n PRO 138 N -4.35 0.92 0.00 3.15 -0.04 -1.26 -2.99 135.00 130.43 1p8a n PRO 138 Ca -0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 1p8a n PRO 138 Cb 0.66 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.64 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 -0.98 0.00 0.11 0.54 7.35 -1.24 -4.08 117.46 119.16 1p8a n PHE 139 Ca 0.21 0.00 0.20 0.00 -0.76 0.00 0.00 57.45 57.10 1p8a n PHE 139 Cb 0.10 0.00 0.70 0.00 0.35 0.00 0.00 39.48 40.63 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 0.01 -2.13 5.85 -1.70 1.73 115.31 119.08 1p8a h LEU 140 Ca 0.00 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.49 1p8a h LEU 140 Cb 0.00 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 1p8a h LEU 140 CO 0.00 0.00 -1.17 0.74 -0.34 0.00 0.00 178.44 177.67 1p8a h THR 141 N 0.00 1.52 0.00 1.05 2.02 -1.70 -3.02 112.91 112.78 1p8a h THR 141 Ca 0.19 -3.25 0.00 0.00 0.77 0.00 0.00 66.41 64.12 1p8a h THR 141 Cb 1.24 2.78 0.00 0.00 -1.74 0.00 0.00 68.15 70.43 1p8a h THR 141 CO -0.00 0.88 -1.15 -0.62 0.37 0.00 0.00 175.52 175.00 1p8a n GLU 142 N -3.31 1.28 -0.67 6.66 1.02 0.11 -3.99 120.64 121.73 1p8a n GLU 142 Ca -0.04 -0.06 -0.08 0.00 -0.02 0.00 0.00 57.16 56.96 1p8a n GLU 142 Cb 0.97 -1.30 0.02 0.00 -0.02 0.00 0.00 31.44 31.11 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 -1.65 0.76 -2.91 -0.32 8.25 0.55 -4.76 115.22 115.14 1p8a n HIS 143 Ca 0.01 -1.45 -0.11 0.00 -0.26 0.00 0.00 57.72 55.91 1p8a n HIS 143 Cb 0.32 -0.71 0.05 0.00 1.12 0.00 0.00 29.99 30.77 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 0.89 -0.81 1.53 -1.41 0.00 -1.26 -4.94 105.19 99.19 1p8a n GLY 144 Ca 0.15 0.42 -0.04 0.00 0.00 0.00 0.00 46.02 46.55 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 -2.80 -0.97 0.00 0.99 4.77 -1.14 -4.93 117.00 112.92 1p8a n LEU 145 Ca -0.05 -2.11 0.00 0.00 -0.03 0.00 0.00 56.01 53.82 1p8a n LEU 145 Cb 0.59 0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.78 1p8a n LEU 145 CO 0.48 1.43 0.20 0.00 -1.33 0.00 0.00 177.39 178.17