#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 -0.15 -2.23 0.00 0.00 -1.26 -4.98 120.51 111.89 1p8a n ALA 2 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1p8a n ALA 2 Cb 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.08 1p8a n ALA 2 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1p8a n GLU 3 N -2.03 2.92 -4.82 0.00 -0.58 -1.26 -5.13 120.64 109.74 1p8a n GLU 3 Ca -0.10 0.00 -0.30 0.00 -0.42 0.00 0.00 57.16 56.34 1p8a n GLU 3 Cb 0.41 0.00 -0.14 0.00 -0.57 0.00 0.00 31.44 31.14 1p8a n GLU 3 CO 0.00 0.00 0.00 -1.59 -0.48 0.00 0.00 177.13 175.06 1p8a s LYS 4 N 2.24 1.80 0.00 3.49 0.00 -1.26 -4.94 119.74 121.07 1p8a s LYS 4 Ca 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 55.97 54.85 1p8a s LYS 4 Cb 0.00 -2.00 0.00 0.00 0.00 0.00 0.00 37.83 35.83 1p8a s LYS 4 CO 0.00 0.51 0.00 1.63 0.00 0.00 0.00 175.35 177.49 1p8a n LYS 5 N 1.65 2.86 -4.35 1.78 5.02 -1.26 -4.95 118.16 118.91 1p8a n LYS 5 Ca -0.17 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 55.91 1p8a n LYS 5 Cb 0.52 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 35.42 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 -2.00 2.10 -0.05 7.82 0.00 -1.26 0.75 121.76 129.11 1p8a s ALA 6 Ca 0.00 -1.58 -0.02 0.00 0.00 0.00 0.00 51.96 50.36 1p8a s ALA 6 Cb 0.00 -0.17 0.03 0.00 0.00 0.00 0.00 23.12 22.98 1p8a s ALA 6 CO 0.00 0.19 0.04 0.08 0.00 0.00 0.00 175.76 176.07 1p8a s VAL 7 N -2.37 0.03 -0.61 0.00 1.01 0.13 -1.32 120.40 117.28 1p8a s VAL 7 Ca 0.19 0.32 -0.28 0.00 0.00 0.00 0.00 61.98 62.22 1p8a s VAL 7 Cb -0.04 -0.25 0.02 0.00 0.00 0.00 0.00 36.38 36.10 1p8a s VAL 7 CO 0.08 0.19 1.41 -0.22 0.00 0.00 0.00 175.10 176.56 1p8a s LEU 8 N 2.00 3.33 -1.09 3.92 2.96 0.31 -0.44 118.68 129.67 1p8a s LEU 8 Ca 0.04 0.09 -0.20 0.00 -0.22 0.00 0.00 54.13 53.84 1p8a s LEU 8 Cb -0.12 -2.89 0.09 0.00 0.50 0.00 0.00 46.19 43.77 1p8a s LEU 8 CO -0.03 -1.79 1.45 -0.36 -1.32 0.00 0.00 176.35 174.30 1p8a s PHE 9 N 6.19 2.83 0.25 5.38 0.08 0.70 -0.18 117.98 133.23 1p8a s PHE 9 Ca 0.49 -1.31 -0.04 0.00 0.12 0.00 0.00 56.93 56.19 1p8a s PHE 9 Cb -0.10 -4.58 -0.05 0.00 -0.57 0.00 0.00 43.02 37.72 1p8a s PHE 9 CO 0.22 -1.75 0.49 0.08 -0.10 0.00 0.00 175.22 174.17 1p8a s VAL 10 N 3.90 5.09 0.00 -0.44 1.01 -0.40 -1.31 120.40 128.24 1p8a s VAL 10 Ca 0.45 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.36 1p8a s VAL 10 Cb -0.00 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.65 1p8a s VAL 10 CO -0.04 -0.25 0.00 0.00 0.00 0.00 0.00 175.10 174.81 1p8a n LEU 12 N -2.23 0.00 0.00 0.00 -0.00 -1.26 -4.52 117.00 108.99 1p8a n LEU 12 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1p8a n LEU 12 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1p8a n LEU 12 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.00 1p8a n GLY 13 N 0.00 1.44 2.77 -3.96 0.00 -1.26 -3.22 105.19 100.95 1p8a n GLY 13 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -4.06 -0.00 1.61 5.15 -1.26 -4.54 115.26 112.16 1p8a n ASN 14 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1p8a n ASN 14 Cb 0.00 -2.19 -0.01 0.00 -0.53 0.00 0.00 39.78 37.04 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 -2.33 0.03 -2.88 -1.44 5.41 -1.23 -4.53 119.36 112.39 1p8a n ILE 15 Ca 0.00 -0.04 -0.43 0.00 1.00 0.00 0.00 62.75 63.28 1p8a n ILE 15 Cb 0.26 0.07 -0.04 0.00 -0.71 0.00 0.00 39.64 39.21 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 6.86 -1.79 -0.04 0.00 3.00 -1.26 -4.24 116.66 119.19 1p8a n ARG 17 Ca 0.05 0.64 -0.07 0.00 -0.01 0.00 0.00 57.85 58.46 1p8a n ARG 17 Cb 0.48 -5.06 -0.06 0.00 0.00 0.00 0.00 32.46 27.82 1p8a n ARG 17 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.63 178.40 1p8a h SER 18 N 0.00 -0.03 0.00 0.55 0.02 -1.80 -3.20 113.55 109.08 1p8a h SER 18 Ca -0.09 -0.45 0.00 0.00 -0.84 0.00 0.00 61.79 60.40 1p8a h SER 18 Cb 1.04 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.58 1p8a h SER 18 CO 0.14 0.67 0.00 -0.81 -1.14 0.00 0.00 176.83 175.69 1p8a n PRO 19 N -4.74 0.71 -0.06 3.45 -0.04 -1.26 -2.89 135.00 130.17 1p8a n PRO 19 Ca -0.05 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.35 1p8a n PRO 19 Cb 0.24 -1.43 -0.15 0.00 -0.04 0.00 0.00 33.50 32.11 1p8a n PRO 19 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1p8a n ALA 20 N -0.93 1.70 0.07 0.55 0.00 -1.24 -4.09 120.51 116.58 1p8a n ALA 20 Ca 0.15 -1.07 -0.09 0.00 0.00 0.00 0.00 53.44 52.43 1p8a n ALA 20 Cb 0.07 -0.43 0.03 0.00 0.00 0.00 0.00 19.45 19.12 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 0.20 0.51 0.03 0.00 4.22 -1.75 -0.62 114.58 117.18 1p8a h GLU 22 Ca -0.03 -0.11 -0.00 0.00 0.08 0.00 0.00 59.36 59.30 1p8a h GLU 22 Cb 1.34 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1p8a h GLU 22 CO 0.12 0.54 -0.01 0.78 -2.18 0.00 0.00 179.01 178.26 1p8a h GLY 23 N 0.39 -0.04 0.20 1.92 0.00 -1.70 -0.11 103.07 103.73 1p8a h GLY 23 Ca 0.11 0.01 0.12 0.00 0.00 0.00 0.00 47.33 47.58 1p8a h GLY 23 CO -0.01 -0.01 0.24 1.19 0.00 0.00 0.00 176.54 177.95 1p8a h ILE 24 N -0.87 0.67 0.04 2.60 2.10 -1.18 -1.04 117.51 119.83 1p8a h ILE 24 Ca -0.00 -0.13 -0.00 0.00 1.08 0.00 0.00 64.86 65.80 1p8a h ILE 24 Cb 0.73 0.25 0.00 0.00 -1.09 0.00 0.00 36.82 36.71 1p8a h ILE 24 CO 0.01 0.07 -0.02 0.00 -1.08 0.00 0.00 178.15 177.13 1p8a h ARG 26 N -0.84 0.25 0.18 0.00 3.08 -0.71 0.35 114.38 116.68 1p8a h ARG 26 Ca -0.01 -0.01 -0.24 0.00 0.07 0.00 0.00 59.98 59.79 1p8a h ARG 26 Cb 0.68 -0.06 0.03 0.00 0.08 0.00 0.00 29.97 30.70 1p8a h ARG 26 CO 0.01 0.16 -1.08 0.22 -1.07 0.00 0.00 179.97 178.22 1p8a h ASP 27 N 0.26 0.59 0.16 7.04 3.58 -1.23 0.51 116.42 127.33 1p8a h ASP 27 Ca 0.72 -0.94 0.00 0.00 0.42 0.00 0.00 57.03 57.23 1p8a h ASP 27 Cb 1.64 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 42.49 1p8a h ASP 27 CO -0.65 1.51 -0.14 -0.03 -2.88 0.00 0.00 179.24 177.05 1p8a h MET 28 N -0.20 -0.32 0.08 0.28 4.05 0.72 -3.22 114.93 116.33 1p8a h MET 28 Ca -0.19 0.02 -0.32 0.00 -0.28 0.00 0.00 59.70 58.93 1p8a h MET 28 Cb 1.82 0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 32.67 1p8a h MET 28 CO 0.19 -0.21 -1.71 0.28 0.23 0.00 0.00 176.91 175.69 1p8a h VAL 29 N -0.33 0.92 0.00 -5.77 2.07 -0.59 -3.50 116.25 109.05 1p8a h VAL 29 Ca -0.00 -2.65 0.00 0.00 0.82 0.00 0.00 66.70 64.87 1p8a h VAL 29 Cb 0.30 2.58 0.00 0.00 -1.52 0.00 0.00 31.29 32.65 1p8a h VAL 29 CO -0.03 0.74 0.00 0.61 0.02 0.00 0.00 177.57 178.91 1p8a n GLY 30 N 1.72 2.29 2.91 2.17 0.00 0.18 -4.86 105.19 109.60 1p8a n GLY 30 Ca -0.21 -0.72 -0.06 0.00 0.00 0.00 0.00 46.02 45.03 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 -0.82 0.00 1.61 -1.08 -1.25 -4.40 116.67 106.73 1p8a s ASP 31 Ca 0.00 -1.44 0.00 0.00 -0.52 0.00 0.00 52.55 50.59 1p8a s ASP 31 Cb 0.00 1.52 0.00 0.00 -1.46 0.00 0.00 42.92 42.98 1p8a s ASP 31 CO 0.00 -0.14 0.00 0.29 0.52 0.00 0.00 175.17 175.84 1p8a n LYS 32 N 3.74 1.45 -0.00 4.34 4.76 -1.26 -5.09 118.16 126.10 1p8a n LYS 32 Ca 0.15 0.00 -0.01 0.00 -2.87 0.00 0.00 58.31 55.58 1p8a n LYS 32 Cb 0.54 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.72 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 0.91 -0.40 -0.35 4.77 -1.23 -4.69 117.00 116.01 1p8a n LEU 33 Ca 0.00 -0.00 0.31 0.00 -0.03 0.00 0.00 56.01 56.29 1p8a n LEU 33 Cb 0.00 0.00 0.48 0.00 -2.33 0.00 0.00 43.42 41.57 1p8a n LEU 33 CO 0.00 0.17 0.87 2.30 -1.33 0.00 0.00 177.39 179.40 1p8a n ILE 34 N -2.18 -0.04 -2.26 -0.08 -6.64 0.23 -3.48 119.36 104.91 1p8a n ILE 34 Ca -0.02 0.96 -0.33 0.00 -1.77 0.00 0.00 62.75 61.60 1p8a n ILE 34 Cb 0.53 -1.60 -0.04 0.00 -1.44 0.00 0.00 39.64 37.08 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 -4.26 3.66 -0.54 7.28 1.01 -1.26 0.23 121.20 127.32 1p8a s ILE 35 Ca -0.03 -0.66 0.07 0.00 0.00 0.00 0.00 60.65 60.03 1p8a s ILE 35 Cb 0.17 -4.50 0.26 0.00 0.01 0.00 0.00 42.46 38.40 1p8a s ILE 35 CO 0.54 -1.36 0.69 0.47 0.00 0.00 0.00 174.94 175.27 1p8a n ASP 36 N 11.90 2.54 -4.68 3.58 8.00 0.41 -4.87 116.55 133.44 1p8a n ASP 36 Ca 0.39 -3.20 -0.43 0.00 0.71 0.00 0.00 54.79 52.25 1p8a n ASP 36 Cb 0.48 -0.65 -0.01 0.00 -0.02 0.00 0.00 41.12 40.92 1p8a n ASP 36 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1p8a n SER 37 N 0.91 2.55 -2.78 -2.24 7.64 -1.26 -0.22 113.62 118.23 1p8a n SER 37 Ca 0.27 1.20 -0.11 0.00 1.01 0.00 0.00 58.87 61.23 1p8a n SER 37 Cb 0.46 -1.45 -0.00 0.00 -1.01 0.00 0.00 64.21 62.20 1p8a n SER 37 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1p8a n ALA 38 N 0.49 -0.91 -3.39 -0.43 0.00 -0.43 -4.72 120.51 111.13 1p8a n ALA 38 Ca 0.06 -1.37 -0.05 0.00 0.00 0.00 0.00 53.44 52.09 1p8a n ALA 38 Cb 0.35 1.10 -0.01 0.00 0.00 0.00 0.00 19.45 20.89 1p8a n ALA 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1p8a n ALA 39 N -0.80 -0.20 -2.74 0.00 0.00 -1.26 -3.55 120.51 111.97 1p8a n ALA 39 Ca -0.14 -0.61 -0.08 0.00 0.00 0.00 0.00 53.44 52.62 1p8a n ALA 39 Cb 0.55 0.49 0.06 0.00 0.00 0.00 0.00 19.45 20.55 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 -0.22 0.00 0.03 0.00 5.66 -1.26 -4.21 114.28 114.28 1p8a n THR 40 Ca -0.00 -1.40 0.00 0.00 -3.05 0.00 0.00 64.05 59.60 1p8a n THR 40 Cb 0.23 1.45 0.00 0.00 -1.55 0.00 0.00 70.33 70.45 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 1.31 -0.47 0.00 1.09 7.64 -1.26 -4.88 113.62 117.05 1p8a n SER 41 Ca 0.07 0.13 0.00 0.00 1.01 0.00 0.00 58.87 60.08 1p8a n SER 41 Cb 0.66 0.73 0.00 0.00 -1.01 0.00 0.00 64.21 64.59 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 -1.47 3.36 0.31 0.23 0.00 -1.26 -4.93 105.19 101.43 1p8a n GLY 42 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1p8a n GLY 42 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1p8a h PHE 43 N 0.00 -0.72 -0.03 1.61 0.04 -1.94 -3.29 116.94 112.61 1p8a h PHE 43 Ca 0.00 -0.02 -0.58 0.00 2.80 0.00 0.00 57.97 60.17 1p8a h PHE 43 Cb 0.00 0.24 0.09 0.00 2.20 0.00 0.00 35.95 38.48 1p8a h PHE 43 CO 0.00 -0.45 1.74 0.72 -0.60 0.00 0.00 178.31 179.72 1p8a n HIS 44 N -4.33 1.05 -3.83 -0.55 8.25 -1.26 -4.79 115.22 109.76 1p8a n HIS 44 Ca -0.10 -1.15 -0.12 0.00 -0.26 0.00 0.00 57.72 56.09 1p8a n HIS 44 Cb 0.31 -1.36 -0.12 0.00 1.12 0.00 0.00 29.99 29.93 1p8a n HIS 44 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1p8a s VAL 45 N 6.67 0.02 0.00 1.59 1.01 -1.24 -4.65 120.40 123.80 1p8a s VAL 45 Ca 0.64 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.46 1p8a s VAL 45 Cb 0.13 -0.29 0.00 0.00 0.00 0.00 0.00 36.38 36.22 1p8a s VAL 45 CO 0.22 -0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.85 1p8a n GLY 46 N 2.64 0.57 0.00 4.51 0.00 -1.26 -4.96 105.19 106.69 1p8a n GLY 46 Ca -0.15 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.70 0.00 -2.27 1.61 10.64 -1.26 -5.13 117.38 118.27 1p8a n GLN 47 Ca 0.00 0.00 -0.01 0.00 -1.83 0.00 0.00 57.00 55.16 1p8a n GLN 47 Cb 0.00 0.00 -0.01 0.00 -0.86 0.00 0.00 30.24 29.37 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 -7.52 -4.57 2.61 7.64 -1.26 -4.77 113.62 105.76 1p8a n SER 48 Ca 0.00 1.62 -0.40 0.00 1.01 0.00 0.00 58.87 61.10 1p8a n SER 48 Cb 0.00 -4.84 -0.03 0.00 -1.01 0.00 0.00 64.21 58.33 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 -0.75 2.84 -0.20 1.43 0.04 -1.26 -4.83 135.00 132.28 1p8a s PRO 49 Ca -0.04 0.86 0.11 0.00 0.04 0.00 0.00 61.00 61.97 1p8a s PRO 49 Cb 0.00 -4.33 0.66 0.00 0.04 0.00 0.00 34.50 30.87 1p8a s PRO 49 CO 0.12 -2.47 1.52 -0.25 0.04 0.00 0.00 177.00 175.96 1p8a n ASP 50 N 12.02 4.77 0.15 6.66 8.00 -1.26 -4.21 116.55 142.67 1p8a n ASP 50 Ca 0.21 -2.78 0.01 0.00 0.71 0.00 0.00 54.79 52.95 1p8a n ASP 50 Cb 0.51 -0.66 0.18 0.00 -0.02 0.00 0.00 41.12 41.12 1p8a n ASP 50 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 1p8a h THR 51 N 3.10 1.18 0.06 -3.53 1.35 -1.98 -1.27 112.91 111.82 1p8a h THR 51 Ca 0.03 -2.08 -0.00 0.00 -0.55 0.00 0.00 66.41 63.81 1p8a h THR 51 Cb 1.74 2.19 0.00 0.00 -1.73 0.00 0.00 68.15 70.35 1p8a h THR 51 CO 0.42 0.55 -0.03 0.03 -0.25 0.00 0.00 175.52 176.24 1p8a h ARG 52 N 0.00 -0.08 0.16 4.72 -0.00 -1.99 0.95 114.38 118.14 1p8a h ARG 52 Ca -0.01 0.01 -0.01 0.00 -0.50 0.00 0.00 59.98 59.47 1p8a h ARG 52 Cb 1.15 0.02 0.00 0.00 0.00 0.00 0.00 29.97 31.14 1p8a h ARG 52 CO 0.07 0.50 -0.08 0.66 0.00 0.00 0.00 179.97 181.13 1p8a h SER 53 N -0.79 -0.18 -0.83 7.04 4.64 -1.83 -1.32 113.55 120.28 1p8a h SER 53 Ca -0.01 -0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 61.25 1p8a h SER 53 Cb 0.62 0.05 -0.04 0.00 -0.31 0.00 0.00 62.40 62.72 1p8a h SER 53 CO 0.01 -0.07 0.47 -0.61 -0.87 0.00 0.00 176.83 175.77 1p8a h GLN 54 N -0.28 1.15 0.17 4.77 5.75 -1.33 0.15 115.11 125.48 1p8a h GLN 54 Ca -0.02 -0.13 -0.00 0.00 -0.15 0.00 0.00 58.65 58.35 1p8a h GLN 54 Cb 0.22 -0.23 -0.01 0.00 1.07 0.00 0.00 27.48 28.53 1p8a h GLN 54 CO 0.04 0.83 -0.20 -0.22 -2.65 0.00 0.00 178.83 176.63 1p8a h LYS 55 N 1.15 -0.36 -0.73 1.69 1.63 -0.46 -0.66 116.57 118.83 1p8a h LYS 55 Ca 0.29 0.02 0.18 0.00 -0.85 0.00 0.00 60.65 60.30 1p8a h LYS 55 Cb 0.01 0.08 -0.04 0.00 -0.60 0.00 0.00 32.23 31.68 1p8a h LYS 55 CO -0.05 -0.24 0.50 -0.24 -3.45 0.00 0.00 179.45 175.98 1p8a h VAL 56 N -0.37 0.71 -0.01 2.00 3.04 -1.17 0.17 116.25 120.61 1p8a h VAL 56 Ca -0.02 -0.06 0.02 0.00 -1.01 0.00 0.00 66.70 65.63 1p8a h VAL 56 Cb 0.33 0.51 -0.03 0.00 -2.01 0.00 0.00 31.29 30.09 1p8a h VAL 56 CO -0.04 0.03 -0.14 0.00 -1.01 0.00 0.00 177.57 176.41 1p8a h LYS 58 N -0.24 0.00 0.00 0.00 1.79 0.27 0.63 116.57 119.03 1p8a h LYS 58 Ca 0.05 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.52 1p8a h LYS 58 Cb 0.30 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.95 1p8a h LYS 58 CO -0.15 0.28 -0.11 0.45 -1.08 0.00 0.00 179.45 178.85 1p8a n SER 59 N -3.38 0.44 -0.02 0.86 2.88 -0.11 -3.84 113.62 110.45 1p8a n SER 59 Ca 0.00 0.43 -0.02 0.00 -1.33 0.00 0.00 58.87 57.95 1p8a n SER 59 Cb 0.49 -0.49 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 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 -1.87 3.65 0.00 -3.46 4.13 0.18 -5.03 115.26 112.86 1p8a n ASN 60 Ca 0.06 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.32 1p8a n ASN 60 Cb 0.39 0.69 0.00 0.00 -1.54 0.00 0.00 39.78 39.32 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 2.62 0.54 3.64 7.41 0.00 0.19 -5.07 105.19 114.51 1p8a n GLY 61 Ca -0.08 -0.23 -0.09 0.00 0.00 0.00 0.00 46.02 45.62 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 0.00 -0.45 1.61 1.01 0.59 -4.66 120.40 118.49 1p8a s VAL 62 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 61.98 62.01 1p8a s VAL 62 Cb 0.00 -1.00 0.12 0.00 0.00 0.00 0.00 36.38 35.50 1p8a s VAL 62 CO 0.00 0.00 0.19 -0.62 0.00 0.00 0.00 175.10 174.67 1p8a s ASP 63 N 1.18 4.31 0.39 3.32 -1.08 -1.26 -3.92 116.67 119.61 1p8a s ASP 63 Ca -0.06 -2.66 0.04 0.00 -0.52 0.00 0.00 52.55 49.35 1p8a s ASP 63 Cb -0.05 -1.50 -0.00 0.00 -1.46 0.00 0.00 42.92 39.91 1p8a s ASP 63 CO -0.12 -0.29 0.55 0.27 0.52 0.00 0.00 175.17 176.10 1p8a s ILE 64 N 0.22 3.92 -0.08 4.11 -4.36 -1.26 -4.84 121.20 118.91 1p8a s ILE 64 Ca 0.15 -0.82 0.03 0.00 -0.26 0.00 0.00 60.65 59.75 1p8a s ILE 64 Cb -0.23 -3.39 0.10 0.00 1.25 0.00 0.00 42.46 40.19 1p8a s ILE 64 CO -0.03 -0.19 0.71 -0.24 0.24 0.00 0.00 174.94 175.42 1p8a n SER 65 N -1.83 -0.42 -2.66 4.36 2.88 -1.26 -5.08 113.62 109.61 1p8a n SER 65 Ca 0.01 -1.21 -0.00 0.00 -1.33 0.00 0.00 58.87 56.34 1p8a n SER 65 Cb 0.58 0.19 0.02 0.00 -0.75 0.00 0.00 64.21 64.25 1p8a n SER 65 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 1p8a s LYS 66 N 0.03 0.02 0.00 -1.46 0.00 -1.26 -5.10 119.74 111.97 1p8a s LYS 66 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 55.97 55.98 1p8a s LYS 66 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 37.83 37.94 1p8a s LYS 66 CO -0.03 -0.03 0.00 1.04 0.00 0.00 0.00 175.35 176.33 1p8a n GLN 67 N 3.09 0.00 -3.52 1.78 3.00 -1.26 -5.03 117.38 115.44 1p8a n GLN 67 Ca 0.07 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.78 1p8a n GLN 67 Cb 0.66 -0.02 0.02 0.00 0.00 0.00 0.00 30.24 30.89 1p8a n GLN 67 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.06 174.93 1p8a n ARG 68 N -1.44 -1.79 -1.32 -1.09 0.63 -1.26 -4.75 116.66 105.64 1p8a n ARG 68 Ca 0.00 1.25 -0.39 0.00 -0.92 0.00 0.00 57.85 57.79 1p8a n ARG 68 Cb 0.00 -2.74 0.01 0.00 0.45 0.00 0.00 32.46 30.18 1p8a n ARG 68 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1p8a n ALA 69 N -1.22 -2.52 -3.04 5.13 0.00 -1.26 -4.97 120.51 112.63 1p8a n ALA 69 Ca -0.15 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.29 1p8a n ALA 69 Cb 0.66 -1.54 0.00 0.00 0.00 0.00 0.00 19.45 18.57 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 1.07 0.04 -4.13 0.00 1.85 -1.26 -4.83 116.66 109.40 1p8a n ARG 70 Ca 0.10 -0.11 -0.26 0.00 -1.00 0.00 0.00 57.85 56.57 1p8a n ARG 70 Cb 0.46 0.12 -0.06 0.00 -1.05 0.00 0.00 32.46 31.93 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 -2.02 2.72 0.19 2.89 2.00 -1.26 -4.45 119.66 119.73 1p8a s GLN 71 Ca 0.01 -0.98 0.02 0.00 -2.00 0.00 0.00 55.36 52.40 1p8a s GLN 71 Cb -0.00 -2.53 -0.04 0.00 0.80 0.00 0.00 33.01 31.25 1p8a s GLN 71 CO 0.01 0.46 0.34 -1.50 -0.50 0.00 0.00 175.29 174.10 1p8a s ILE 72 N -1.80 5.27 0.40 -2.34 2.07 -1.26 -4.97 121.20 118.57 1p8a s ILE 72 Ca 0.30 -0.61 0.08 0.00 -1.41 0.00 0.00 60.65 59.00 1p8a s ILE 72 Cb -0.09 -3.76 -0.05 0.00 0.13 0.00 0.00 42.46 38.68 1p8a s ILE 72 CO 0.22 -0.18 0.16 0.42 -1.91 0.00 0.00 174.94 173.65 1p8a s THR 73 N -1.85 2.40 0.06 4.00 -4.23 -1.26 -4.98 115.64 109.79 1p8a s THR 73 Ca 0.36 -1.73 0.28 0.00 -1.18 0.00 0.00 61.69 59.42 1p8a s THR 73 Cb -0.11 -2.98 0.28 0.00 1.34 0.00 0.00 72.50 71.03 1p8a s THR 73 CO 0.29 -0.04 1.84 0.07 -0.54 0.00 0.00 174.62 176.25 1p8a h LYS 74 N 1.48 0.00 -0.01 3.99 2.10 -2.02 -1.53 116.57 120.58 1p8a h LYS 74 Ca -0.43 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.22 1p8a h LYS 74 Cb 1.25 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.58 1p8a h LYS 74 CO 0.69 0.00 0.02 0.00 -2.00 0.00 0.00 179.45 178.16 1p8a h ALA 75 N 1.95 1.28 -1.04 0.07 0.00 -1.96 -2.38 119.26 117.19 1p8a h ALA 75 Ca 0.00 -0.00 0.27 0.00 0.00 0.00 0.00 54.91 55.18 1p8a h ALA 75 Cb 0.04 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 17.73 1p8a h ALA 75 CO 0.00 -0.03 0.65 0.38 0.00 0.00 0.00 179.25 180.25 1p8a h ASP 76 N 0.00 0.53 0.32 0.00 2.03 -1.68 1.46 116.42 119.08 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 0.05 0.03 0.00 0.00 -0.83 0.00 0.00 39.33 38.58 1p8a h ASP 76 CO -0.00 0.08 0.00 0.49 -1.03 0.00 0.00 179.24 178.78 1p8a n PHE 77 N -4.74 0.14 -2.40 4.15 3.72 -0.89 -2.85 117.46 114.59 1p8a n PHE 77 Ca 0.27 0.06 0.01 0.00 -0.05 0.00 0.00 57.45 57.74 1p8a n PHE 77 Cb 0.85 -0.60 0.00 0.00 -0.94 0.00 0.00 39.48 38.79 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 -1.64 0.56 -0.20 4.37 2.88 0.46 -4.13 113.62 115.92 1p8a n SER 78 Ca 0.02 -2.00 0.05 0.00 -1.33 0.00 0.00 58.87 55.60 1p8a n SER 78 Cb 0.11 -0.17 -0.01 0.00 -0.75 0.00 0.00 64.21 63.40 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 0.35 2.30 0.00 -1.46 3.00 0.13 -5.03 118.16 117.45 1p8a n LYS 79 Ca -0.02 -0.53 0.00 0.00 -0.00 0.00 0.00 58.31 57.77 1p8a n LYS 79 Cb 1.04 -1.06 0.00 0.00 0.00 0.00 0.00 35.03 35.01 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 -0.37 0.00 0.04 5.64 3.72 -1.26 -5.04 117.46 120.19 1p8a n PHE 80 Ca 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 1p8a n PHE 80 Cb 0.20 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.74 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 0.05 -4.09 4.37 -0.08 -1.19 -4.89 116.55 110.72 1p8a n ASP 81 Ca 0.00 0.14 -0.33 0.00 -1.51 0.00 0.00 54.79 53.09 1p8a n ASP 81 Cb 0.00 0.08 -0.15 0.00 2.34 0.00 0.00 41.12 43.39 1p8a n ASP 81 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1p8a s VAL 82 N -2.00 2.29 -0.46 5.18 1.01 -0.43 -2.23 120.40 123.77 1p8a s VAL 82 Ca 0.00 -1.52 -0.26 0.00 0.00 0.00 0.00 61.98 60.20 1p8a s VAL 82 Cb 0.00 -2.31 0.03 0.00 0.00 0.00 0.00 36.38 34.10 1p8a s VAL 82 CO 0.00 0.02 0.96 -0.63 0.00 0.00 0.00 175.10 175.44 1p8a s ILE 83 N 1.14 4.44 -0.11 2.22 1.01 0.80 -0.53 121.20 130.18 1p8a s ILE 83 Ca -0.07 0.85 -0.12 0.00 0.00 0.00 0.00 60.65 61.31 1p8a s ILE 83 Cb -0.19 -4.45 -0.05 0.00 0.01 0.00 0.00 42.46 37.78 1p8a s ILE 83 CO -0.05 -0.84 0.27 0.00 0.00 0.00 0.00 174.94 174.32 1p8a s ALA 84 N 3.83 3.71 -0.18 9.38 0.00 0.75 -1.11 121.76 138.15 1p8a s ALA 84 Ca 0.39 -0.46 -0.00 0.00 0.00 0.00 0.00 51.96 51.89 1p8a s ALA 84 Cb -0.10 -2.25 0.01 0.00 0.00 0.00 0.00 23.12 20.78 1p8a s ALA 84 CO 0.26 0.36 -0.16 0.00 0.00 0.00 0.00 175.76 176.23 1p8a s ALA 85 N -0.41 2.46 0.00 0.00 0.00 0.03 -1.27 121.76 122.57 1p8a s ALA 85 Ca 0.18 -1.16 0.00 0.00 0.00 0.00 0.00 51.96 50.98 1p8a s ALA 85 Cb -0.14 -1.28 0.00 0.00 0.00 0.00 0.00 23.12 21.70 1p8a s ALA 85 CO 0.06 -0.26 0.34 1.28 0.00 0.00 0.00 175.76 177.18 1p8a n LEU 86 N 4.47 0.88 -4.50 0.00 4.32 -0.41 -1.13 117.00 120.63 1p8a n LEU 86 Ca -0.20 0.34 -0.30 0.00 -0.02 0.00 0.00 56.01 55.82 1p8a n LEU 86 Cb 0.51 0.00 0.26 0.00 -1.62 0.00 0.00 43.42 42.57 1p8a n LEU 86 CO 0.27 0.00 0.56 -0.62 -1.22 0.00 0.00 177.39 176.38 1p8a s ASP 87 N -1.70 0.21 -0.02 -1.43 2.15 -1.26 -4.37 116.67 110.25 1p8a s ASP 87 Ca 0.00 0.65 -0.00 0.00 0.43 0.00 0.00 52.55 53.63 1p8a s ASP 87 Cb 0.00 -0.89 -0.26 0.00 -0.30 0.00 0.00 42.92 41.47 1p8a s ASP 87 CO 0.00 -4.56 0.78 1.56 -0.17 0.00 0.00 175.17 172.78 1p8a h GLN 88 N -2.88 0.20 -0.91 4.34 4.20 -1.94 -3.33 115.11 114.79 1p8a h GLN 88 Ca -0.44 -0.34 0.23 0.00 0.06 0.00 0.00 58.65 58.16 1p8a h GLN 88 Cb 1.30 0.13 -0.06 0.00 0.30 0.00 0.00 27.48 29.15 1p8a h GLN 88 CO 0.30 1.02 0.61 0.77 -0.67 0.00 0.00 178.83 180.86 1p8a h SER 89 N 0.05 0.28 0.12 1.46 0.02 -1.94 0.26 113.55 113.80 1p8a h SER 89 Ca -0.26 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.71 1p8a h SER 89 Cb 2.01 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 64.53 1p8a h SER 89 CO 0.14 0.10 -0.06 0.40 -1.14 0.00 0.00 176.83 176.27 1p8a h ILE 90 N 0.28 1.08 -0.33 3.27 2.04 -1.84 0.33 117.51 122.33 1p8a h ILE 90 Ca 0.47 -1.11 -0.05 0.00 1.00 0.00 0.00 64.86 65.17 1p8a h ILE 90 Cb 1.36 1.73 -0.02 0.00 -0.74 0.00 0.00 36.82 39.16 1p8a h ILE 90 CO -0.13 0.25 -0.02 0.25 0.00 0.00 0.00 178.15 178.50 1p8a h LEU 91 N -0.71 0.48 0.04 1.44 5.85 -1.42 0.15 115.31 121.14 1p8a h LEU 91 Ca -0.02 -0.09 -0.09 0.00 0.84 0.00 0.00 57.88 58.52 1p8a h LEU 91 Cb 0.53 -0.13 0.01 0.00 0.37 0.00 0.00 40.66 41.44 1p8a h LEU 91 CO 0.03 0.56 -0.38 -1.28 -0.34 0.00 0.00 178.44 177.03 1p8a h SER 92 N 0.49 0.27 0.49 1.25 0.87 -0.54 -3.04 113.55 113.33 1p8a h SER 92 Ca 0.10 -0.87 -0.02 0.00 -1.23 0.00 0.00 61.79 59.77 1p8a h SER 92 Cb 0.35 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.23 1p8a h SER 92 CO 0.01 1.11 -0.23 0.44 -0.53 0.00 0.00 176.83 177.63 1p8a h ASP 93 N -0.54 -0.55 -0.98 6.23 5.19 -0.25 -2.59 116.42 122.92 1p8a h ASP 93 Ca -0.06 -0.07 0.28 0.00 -0.62 0.00 0.00 57.03 56.56 1p8a h ASP 93 Cb 1.21 0.14 -0.14 0.00 0.18 0.00 0.00 39.33 40.72 1p8a h ASP 93 CO 0.07 -0.17 0.52 -0.29 -3.12 0.00 0.00 179.24 176.25 1p8a h ILE 94 N -1.01 0.39 0.00 0.35 2.10 -0.87 1.20 117.51 119.68 1p8a h ILE 94 Ca -0.07 -0.14 -0.04 0.00 1.08 0.00 0.00 64.86 65.69 1p8a h ILE 94 Cb 0.59 -0.04 -0.01 0.00 -1.09 0.00 0.00 36.82 36.28 1p8a h ILE 94 CO 0.11 0.07 -0.20 -1.13 -1.08 0.00 0.00 178.15 175.92 1p8a h ASN 95 N 0.40 0.00 1.13 2.19 -0.73 -1.44 0.11 115.58 117.23 1p8a h ASN 95 Ca 0.67 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.84 1p8a h ASN 95 Cb 1.40 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.99 1p8a h ASN 95 CO -0.56 0.20 0.00 -1.28 -0.37 0.00 0.00 177.43 175.42 1p8a h SER 96 N 0.00 0.00 0.00 1.15 0.87 0.19 -3.22 113.55 112.54 1p8a h SER 96 Ca -0.00 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.42 1p8a h SER 96 Cb 0.57 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.50 1p8a h SER 96 CO 0.03 0.00 -1.66 1.15 -0.53 0.00 0.00 176.83 175.82 1p8a n MET 97 N -2.63 1.73 -1.46 2.24 0.00 -0.84 -5.01 117.12 111.15 1p8a n MET 97 Ca 0.02 -0.03 -0.48 0.00 0.00 0.00 0.00 57.70 57.21 1p8a n MET 97 Cb 0.33 -1.27 -0.03 0.00 0.00 0.00 0.00 33.22 32.25 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 -2.25 0.37 0.00 3.17 5.02 -0.03 -4.95 118.16 119.50 1p8a n LYS 98 Ca -0.13 0.13 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1p8a n LYS 98 Cb 0.68 -1.29 0.00 0.00 -0.02 0.00 0.00 35.03 34.40 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 1.05 0.91 -0.26 1.97 -0.04 -1.26 -4.98 135.00 132.39 1p8a n PRO 99 Ca 0.16 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.69 1p8a n PRO 99 Cb 0.25 0.00 0.18 0.00 -0.04 0.00 0.00 33.50 33.89 1p8a n PRO 99 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1p8a n SER 100 N -0.16 3.14 -3.26 3.54 2.88 -1.26 -4.90 113.62 113.61 1p8a n SER 100 Ca 0.00 -2.60 -0.04 0.00 -1.33 0.00 0.00 58.87 54.90 1p8a n SER 100 Cb 0.00 -0.37 -0.04 0.00 -0.75 0.00 0.00 64.21 63.05 1p8a n SER 100 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 1p8a s ASN 101 N -1.68 -0.40 0.36 -3.46 0.01 -1.26 -5.16 114.94 103.35 1p8a s ASN 101 Ca 0.30 0.16 0.07 0.00 -0.71 0.00 0.00 52.86 52.68 1p8a s ASN 101 Cb 0.23 1.51 -0.03 0.00 0.41 0.00 0.00 41.25 43.37 1p8a s ASN 101 CO 0.09 -0.31 0.25 0.00 -1.51 0.00 0.00 177.10 175.62 1p8a n ARG 103 N -0.73 2.22 -0.99 0.00 0.00 -1.26 -5.07 116.66 110.83 1p8a n ARG 103 Ca 0.04 -0.14 0.00 0.00 -0.00 0.00 0.00 57.85 57.75 1p8a n ARG 103 Cb 0.62 -0.55 0.00 0.00 -0.00 0.00 0.00 32.46 32.53 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 -0.36 0.00 -2.99 2.89 0.00 -1.26 -5.06 120.51 113.74 1p8a n ALA 104 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1p8a n ALA 104 Cb 0.04 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.38 1p8a n ALA 104 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1p8a s LYS 105 N -1.12 0.38 0.00 0.00 1.02 -0.95 -5.03 119.74 114.05 1p8a s LYS 105 Ca 0.00 -0.57 0.06 0.00 0.02 0.00 0.00 55.97 55.49 1p8a s LYS 105 Cb 0.00 0.15 -0.03 0.00 -0.52 0.00 0.00 37.83 37.43 1p8a s LYS 105 CO 0.00 -0.08 -0.19 0.08 -0.92 0.00 0.00 175.35 174.25 1p8a s VAL 106 N -1.55 2.72 0.05 3.17 1.01 -1.26 -0.14 120.40 124.40 1p8a s VAL 106 Ca -0.15 -1.04 -0.16 0.00 0.00 0.00 0.00 61.98 60.64 1p8a s VAL 106 Cb -0.08 -2.08 0.03 0.00 0.00 0.00 0.00 36.38 34.24 1p8a s VAL 106 CO -0.01 0.46 0.36 0.68 0.00 0.00 0.00 175.10 176.59 1p8a s VAL 107 N -0.80 0.07 0.11 2.92 -7.23 -0.26 -4.95 120.40 110.26 1p8a s VAL 107 Ca 0.13 -0.58 -0.18 0.00 -1.81 0.00 0.00 61.98 59.54 1p8a s VAL 107 Cb -0.10 -0.97 -0.07 0.00 0.56 0.00 0.00 36.38 35.79 1p8a s VAL 107 CO 0.03 -0.32 0.58 -0.22 -0.31 0.00 0.00 175.10 174.85 1p8a s LEU 108 N -2.12 4.44 -0.56 1.32 2.96 -1.26 -0.79 118.68 122.68 1p8a s LEU 108 Ca -0.04 1.21 0.05 0.00 -0.22 0.00 0.00 54.13 55.14 1p8a s LEU 108 Cb -0.00 -3.10 0.20 0.00 0.50 0.00 0.00 46.19 43.79 1p8a s LEU 108 CO -0.04 0.19 0.51 0.33 -1.32 0.00 0.00 176.35 176.02 1p8a n PHE 109 N 1.29 1.54 -3.60 5.38 7.35 -0.28 -4.82 117.46 124.32 1p8a n PHE 109 Ca -0.08 -3.87 0.00 0.00 -0.76 0.00 0.00 57.45 52.75 1p8a n PHE 109 Cb 0.51 -0.31 -0.01 0.00 0.35 0.00 0.00 39.48 40.02 1p8a n PHE 109 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1p8a s ASN 110 N -1.21 -0.06 1.02 -2.13 4.22 -1.26 -4.59 114.94 110.94 1p8a s ASN 110 Ca 0.32 -0.06 -0.16 0.00 -2.14 0.00 0.00 52.86 50.82 1p8a s ASN 110 Cb 0.06 0.11 0.21 0.00 1.28 0.00 0.00 41.25 42.91 1p8a s ASN 110 CO -0.13 -0.19 1.21 -2.16 -2.04 0.00 0.00 177.10 173.79 1p8a s PRO 111 N -2.29 0.18 0.00 3.55 0.04 -1.26 -4.90 135.00 130.32 1p8a s PRO 111 Ca 0.13 -0.13 0.12 0.00 0.04 0.00 0.00 61.00 61.16 1p8a s PRO 111 Cb 0.03 -1.77 0.69 0.00 0.04 0.00 0.00 34.50 33.50 1p8a s PRO 111 CO -0.04 -2.77 1.21 -0.35 0.04 0.00 0.00 177.00 175.09 1p8a n PRO 112 N -4.08 0.69 0.00 0.56 -0.04 -1.26 -2.73 135.00 128.14 1p8a n PRO 112 Ca 0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 1p8a n PRO 112 Cb 0.59 -1.26 0.00 0.00 -0.04 0.00 0.00 33.50 32.79 1p8a n PRO 112 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1p8a n ASN 113 N -0.76 2.14 0.00 3.54 3.02 -1.26 -5.13 115.26 116.81 1p8a n ASN 113 Ca 0.09 -0.23 0.00 0.00 -0.03 0.00 0.00 54.58 54.41 1p8a n ASN 113 Cb 0.04 0.88 0.00 0.00 -0.61 0.00 0.00 39.78 40.09 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 1.52 -0.40 0.00 7.41 0.00 -1.10 -4.71 105.19 107.91 1p8a n GLY 114 Ca 0.00 -1.39 0.09 0.00 0.00 0.00 0.00 46.02 44.71 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 0.47 0.00 0.00 1.61 0.24 -1.26 -4.86 118.33 114.53 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 -0.27 0.00 0.00 -1.47 0.00 0.00 33.84 32.10 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 -0.76 0.00 0.00 -1.34 2.03 -1.26 -2.35 116.55 112.87 1p8a n ASP 116 Ca 0.13 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.44 1p8a n ASP 116 Cb 0.06 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.46 1p8a n ASP 116 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1p8a n ASP 117 N 0.00 -0.04 -4.56 1.67 8.00 -1.26 -5.06 116.55 115.30 1p8a n ASP 117 Ca 0.00 0.47 -0.32 0.00 0.71 0.00 0.00 54.79 55.66 1p8a n ASP 117 Cb 0.00 0.50 -0.04 0.00 -0.02 0.00 0.00 41.12 41.56 1p8a n ASP 117 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1p8a s PRO 118 N -2.00 2.91 0.00 -0.24 0.04 -1.26 -4.97 135.00 129.48 1p8a s PRO 118 Ca 0.00 -0.67 0.00 0.00 0.04 0.00 0.00 61.00 60.37 1p8a s PRO 118 Cb 0.00 -5.18 0.00 0.00 0.04 0.00 0.00 34.50 29.36 1p8a s PRO 118 CO 0.00 -3.05 0.00 0.66 0.04 0.00 0.00 177.00 174.65 1p8a n TYR 119 N 12.31 -2.01 0.00 0.56 4.02 -1.26 -3.90 117.16 126.88 1p8a n TYR 119 Ca 0.39 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.28 1p8a n TYR 119 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.80 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 -2.11 0.00 -2.29 -0.72 4.19 -1.26 -4.82 117.16 110.14 1p8a n TYR 120 Ca 0.00 0.00 -0.38 0.00 3.31 0.00 0.00 57.90 60.83 1p8a n TYR 120 Cb 0.00 0.00 -0.02 0.00 0.49 0.00 0.00 39.34 39.81 1p8a n TYR 120 CO 0.00 0.00 0.00 -1.54 0.91 0.00 0.00 176.86 176.23 1p8a s SER 121 N 0.00 6.44 -0.04 2.98 1.04 -1.25 -4.89 113.70 117.99 1p8a s SER 121 Ca 0.00 2.32 -0.05 0.00 0.48 0.00 0.00 55.95 58.70 1p8a s SER 121 Cb 0.00 -2.61 -0.21 0.00 0.10 0.00 0.00 66.02 63.30 1p8a s SER 121 CO 0.00 -0.73 3.34 -1.54 0.98 0.00 0.00 173.24 175.29 1p8a n SER 122 N -0.07 5.36 -2.16 7.02 3.41 -1.26 -4.32 113.62 121.60 1p8a n SER 122 Ca 0.05 -2.53 -0.24 0.00 -0.26 0.00 0.00 58.87 55.89 1p8a n SER 122 Cb 0.47 -1.36 0.02 0.00 -0.26 0.00 0.00 64.21 63.07 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 2.23 4.76 0.00 4.04 2.03 -1.26 -4.71 116.55 123.63 1p8a n ASP 123 Ca 0.38 -3.69 0.00 0.00 0.52 0.00 0.00 54.79 52.00 1p8a n ASP 123 Cb 0.84 -0.37 0.00 0.00 -0.72 0.00 0.00 41.12 40.86 1p8a n ASP 123 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1p8a n GLY 124 N -0.65 0.26 0.26 0.27 0.00 -1.26 -4.84 105.19 99.23 1p8a n GLY 124 Ca 0.42 -0.14 0.03 0.00 0.00 0.00 0.00 46.02 46.33 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 0.45 0.29 1.61 0.04 -1.86 1.20 116.94 118.67 1p8a h PHE 125 Ca 0.00 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.79 1p8a h PHE 125 Cb 0.00 -0.09 0.00 0.00 2.20 0.00 0.00 35.95 38.06 1p8a h PHE 125 CO 0.00 0.07 -0.14 -1.00 -0.60 0.00 0.00 178.31 176.64 1p8a h PRO 126 N 0.42 -0.38 -0.77 1.51 0.13 -1.91 -3.17 132.00 127.83 1p8a h PRO 126 Ca 0.37 0.03 0.09 0.00 -0.87 0.00 0.00 66.00 65.62 1p8a h PRO 126 Cb 0.54 0.09 -0.07 0.00 0.13 0.00 0.00 31.00 31.68 1p8a h PRO 126 CO -0.38 -0.23 0.42 1.15 -0.23 0.00 0.00 178.00 178.73 1p8a h THR 127 N -1.10 0.90 0.00 1.56 2.02 -1.82 0.23 112.91 114.71 1p8a h THR 127 Ca -0.04 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 66.89 1p8a h THR 127 Cb 0.32 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.85 1p8a h THR 127 CO 0.07 0.13 0.00 0.80 0.37 0.00 0.00 175.52 176.89 1p8a n MET 128 N -4.78 0.00 -0.07 6.66 0.00 0.41 -0.04 117.12 119.29 1p8a n MET 128 Ca 0.12 0.27 -0.09 0.00 0.00 0.00 0.00 57.70 57.99 1p8a n MET 128 Cb 0.26 -0.97 -0.03 0.00 0.00 0.00 0.00 33.22 32.47 1p8a n MET 128 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 175.97 176.32 1p8a h PHE 129 N 0.00 -1.02 -1.38 1.12 3.04 -1.54 0.37 116.94 117.54 1p8a h PHE 129 Ca 0.00 0.05 0.40 0.00 3.98 0.00 0.00 57.97 62.40 1p8a h PHE 129 Cb 0.00 0.49 -0.06 0.00 2.56 0.00 0.00 35.95 38.95 1p8a h PHE 129 CO 0.00 -0.41 1.09 0.00 -2.02 0.00 0.00 178.31 176.97 1p8a h ALA 130 N 0.51 3.28 0.00 2.41 0.00 -0.82 0.36 119.26 125.00 1p8a h ALA 130 Ca 0.13 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1p8a h ALA 130 Cb 0.56 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1p8a h ALA 130 CO -0.48 -1.80 -0.43 0.77 0.00 0.00 0.00 179.25 177.31 1p8a h SER 131 N 0.00 0.00 0.00 0.00 0.02 0.34 -0.53 113.55 113.38 1p8a h SER 131 Ca 0.65 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.60 1p8a h SER 131 Cb 2.83 0.00 0.00 0.00 0.14 0.00 0.00 62.40 65.37 1p8a h SER 131 CO -0.01 0.70 0.46 -0.29 -1.14 0.00 0.00 176.83 176.56 1p8a h ILE 132 N -0.97 0.00 0.00 3.27 2.10 -0.17 0.40 117.51 122.14 1p8a h ILE 132 Ca 0.00 0.00 -0.42 0.00 1.08 0.00 0.00 64.86 65.52 1p8a h ILE 132 Cb 0.43 0.50 -0.06 0.00 -1.09 0.00 0.00 36.82 36.59 1p8a h ILE 132 CO 0.00 0.00 -2.33 -0.24 -1.08 0.00 0.00 178.15 174.50 1p8a n SER 133 N -2.72 1.95 0.00 2.19 2.88 0.12 -3.30 113.62 114.73 1p8a n SER 133 Ca -0.01 0.30 0.09 0.00 -1.33 0.00 0.00 58.87 57.91 1p8a n SER 133 Cb 0.50 -0.80 0.47 0.00 -0.75 0.00 0.00 64.21 63.63 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 -4.15 0.40 0.00 -1.46 4.76 -0.20 -2.14 118.16 115.36 1p8a n LYS 134 Ca -0.50 0.06 0.00 0.00 -2.87 0.00 0.00 58.31 55.00 1p8a n LYS 134 Cb 0.87 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.56 1p8a n LYS 134 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 1p8a n GLU 135 N -1.14 0.97 -0.07 1.97 2.13 0.13 -4.63 120.64 120.00 1p8a n GLU 135 Ca 0.11 -0.94 0.02 0.00 0.66 0.00 0.00 57.16 57.00 1p8a n GLU 135 Cb 0.09 -0.95 0.05 0.00 0.27 0.00 0.00 31.44 30.91 1p8a n GLU 135 CO 0.00 0.00 0.00 -0.12 -0.41 0.00 0.00 177.13 176.60 1p8a n MET 136 N -0.23 1.32 -0.09 5.31 1.56 -0.91 -3.70 117.12 120.37 1p8a n MET 136 Ca 0.00 -0.41 -0.13 0.00 -0.27 0.00 0.00 57.70 56.88 1p8a n MET 136 Cb 0.16 -1.18 -0.06 0.00 2.15 0.00 0.00 33.22 34.28 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 -0.13 0.51 0.00 2.12 4.76 -1.26 -2.65 118.16 121.51 1p8a n LYS 137 Ca 0.04 0.54 0.13 0.00 -2.87 0.00 0.00 58.31 56.14 1p8a n LYS 137 Cb 0.15 -1.71 0.70 0.00 -1.84 0.00 0.00 35.03 32.32 1p8a n LYS 137 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1p8a n PRO 138 N -4.52 0.58 -0.07 1.97 -0.04 -1.25 -2.34 135.00 129.32 1p8a n PRO 138 Ca -0.20 0.03 -0.15 0.00 -0.04 0.00 0.00 63.50 63.13 1p8a n PRO 138 Cb 0.48 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.39 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 -1.14 0.00 0.11 0.54 -0.00 -1.24 -4.50 117.46 111.22 1p8a n PHE 139 Ca 0.16 0.00 -0.11 0.00 -0.00 0.00 0.00 57.45 57.50 1p8a n PHE 139 Cb 0.14 -0.54 -0.07 0.00 -0.00 0.00 0.00 39.48 39.02 1p8a n PHE 139 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.76 178.01 1p8a h LEU 140 N -0.59 -0.29 -1.33 -2.13 5.85 -1.60 1.25 115.31 116.47 1p8a h LEU 140 Ca -0.34 -0.23 0.43 0.00 0.84 0.00 0.00 57.88 58.58 1p8a h LEU 140 Cb 1.22 0.07 -0.14 0.00 0.37 0.00 0.00 40.66 42.19 1p8a h LEU 140 CO -0.21 0.20 0.80 0.74 -0.34 0.00 0.00 178.44 179.64 1p8a h THR 141 N -0.92 0.11 0.00 1.05 2.02 -1.61 1.01 112.91 114.57 1p8a h THR 141 Ca -0.03 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.11 1p8a h THR 141 Cb 0.50 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.92 1p8a h THR 141 CO 0.06 0.02 -0.49 -0.62 0.37 0.00 0.00 175.52 174.85 1p8a n GLU 142 N -4.78 0.26 -2.79 6.66 1.02 -1.20 -3.25 120.64 116.56 1p8a n GLU 142 Ca 0.37 0.10 -0.41 0.00 -0.02 0.00 0.00 57.16 57.20 1p8a n GLU 142 Cb 1.39 -0.92 0.01 0.00 -0.02 0.00 0.00 31.44 31.91 1p8a n GLU 142 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 1p8a n HIS 143 N -3.64 2.63 0.00 -0.32 -0.00 0.43 -4.30 115.22 110.01 1p8a n HIS 143 Ca -0.07 -2.63 0.00 0.00 0.46 0.00 0.00 57.72 55.48 1p8a n HIS 143 Cb 0.26 -1.18 0.00 0.00 -0.12 0.00 0.00 29.99 28.94 1p8a n HIS 143 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1p8a n GLY 144 N 0.43 0.00 0.00 1.57 0.00 -0.58 -4.31 105.19 102.30 1p8a n GLY 144 Ca 0.39 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.41 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 -0.13 0.00 0.00 0.99 7.94 0.34 -4.49 117.00 121.65 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