#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p8a n ALA 2 N 0.00 -2.57 -2.38 0.00 0.00 -1.26 -5.00 120.51 109.30 1p8a n ALA 2 Ca 0.00 -0.07 -0.19 0.00 0.00 0.00 0.00 53.44 53.18 1p8a n ALA 2 Cb 0.00 -2.00 -0.00 0.00 0.00 0.00 0.00 19.45 17.45 1p8a n ALA 2 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1p8a s GLU 3 N -3.85 3.06 0.50 0.00 0.41 -1.26 -4.89 118.70 112.66 1p8a s GLU 3 Ca 0.09 -1.06 -0.13 0.00 -0.41 0.00 0.00 54.97 53.47 1p8a s GLU 3 Cb -0.02 -2.81 -0.06 0.00 -1.78 0.00 0.00 34.13 29.45 1p8a s GLU 3 CO 0.79 -0.00 0.91 -1.59 -0.49 0.00 0.00 175.26 174.88 1p8a s LYS 4 N -4.21 3.80 0.00 1.61 0.00 -1.26 -4.39 119.74 115.29 1p8a s LYS 4 Ca 0.47 0.71 0.00 0.00 0.00 0.00 0.00 55.97 57.15 1p8a s LYS 4 Cb -0.10 -2.22 0.00 0.00 0.00 0.00 0.00 37.83 35.52 1p8a s LYS 4 CO 0.31 -0.25 0.00 1.63 0.00 0.00 0.00 175.35 177.04 1p8a n LYS 5 N -1.77 0.09 -4.42 1.78 5.02 -1.26 -5.02 118.16 112.58 1p8a n LYS 5 Ca 0.05 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.08 1p8a n LYS 5 Cb 0.54 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 35.44 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 2.68 -0.14 7.82 0.00 -1.26 0.54 121.76 129.40 1p8a s ALA 6 Ca 0.00 -1.72 -0.04 0.00 0.00 0.00 0.00 51.96 50.20 1p8a s ALA 6 Cb 0.00 -0.36 0.06 0.00 0.00 0.00 0.00 23.12 22.82 1p8a s ALA 6 CO 0.00 0.37 0.13 0.08 0.00 0.00 0.00 175.76 176.34 1p8a s VAL 7 N -2.04 -0.19 -1.24 0.00 1.01 0.15 -1.27 120.40 116.84 1p8a s VAL 7 Ca 0.25 0.05 -0.18 0.00 0.00 0.00 0.00 61.98 62.11 1p8a s VAL 7 Cb -0.07 -0.47 0.09 0.00 0.00 0.00 0.00 36.38 35.93 1p8a s VAL 7 CO 0.13 -0.10 1.61 -0.22 0.00 0.00 0.00 175.10 176.52 1p8a s LEU 8 N 2.22 4.14 0.08 3.92 2.96 -0.31 -0.38 118.68 131.30 1p8a s LEU 8 Ca 0.04 -2.46 -0.34 0.00 -0.22 0.00 0.00 54.13 51.15 1p8a s LEU 8 Cb -0.14 -2.53 -0.13 0.00 0.50 0.00 0.00 46.19 43.89 1p8a s LEU 8 CO -0.08 -1.10 1.70 0.49 -1.32 0.00 0.00 176.35 176.04 1p8a n PHE 9 N 7.73 2.34 -4.04 5.38 3.72 0.17 -0.95 117.46 131.81 1p8a n PHE 9 Ca 0.43 0.13 -0.08 0.00 -0.05 0.00 0.00 57.45 57.89 1p8a n PHE 9 Cb 0.46 -2.60 -0.09 0.00 -0.94 0.00 0.00 39.48 36.30 1p8a n PHE 9 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1p8a s VAL 10 N 2.10 0.17 0.37 -4.37 1.01 0.14 -1.32 120.40 118.50 1p8a s VAL 10 Ca 0.83 -1.66 0.00 0.00 0.00 0.00 0.00 61.98 61.15 1p8a s VAL 10 Cb -0.66 -1.59 0.00 0.00 0.00 0.00 0.00 36.38 34.13 1p8a s VAL 10 CO 0.42 -0.78 0.00 0.00 0.00 0.00 0.00 175.10 174.74 1p8a n LEU 12 N -3.34 0.00 -0.02 0.00 4.77 -1.26 -4.41 117.00 112.74 1p8a n LEU 12 Ca 0.00 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1p8a n LEU 12 Cb 0.00 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1p8a n LEU 12 CO 0.00 0.00 -0.00 0.61 -1.33 0.00 0.00 177.39 176.67 1p8a n GLY 13 N -0.51 0.13 5.00 -0.72 0.00 -1.26 -2.98 105.19 104.86 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 -0.77 0.00 -0.56 1.61 4.05 -1.25 -4.33 115.26 114.01 1p8a n ASN 14 Ca -0.00 0.00 0.45 0.00 0.45 0.00 0.00 54.58 55.47 1p8a n ASN 14 Cb 0.39 0.00 0.74 0.00 1.23 0.00 0.00 39.78 42.14 1p8a n ASN 14 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 177.26 174.61 1p8a h ILE 15 N 0.00 0.06 -3.87 -1.44 2.04 -1.77 -3.44 117.51 109.09 1p8a h ILE 15 Ca 0.00 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.85 1p8a h ILE 15 Cb 0.00 0.04 -0.04 0.00 -0.74 0.00 0.00 36.82 36.08 1p8a h ILE 15 CO 0.00 0.00 -0.76 0.00 0.00 0.00 0.00 178.15 177.40 1p8a h ARG 17 N 2.49 0.00 -2.41 0.00 3.08 -1.89 -2.64 114.38 113.01 1p8a h ARG 17 Ca -0.16 0.00 -0.67 0.00 0.07 0.00 0.00 59.98 59.22 1p8a h ARG 17 Cb 0.36 0.00 -0.37 0.00 0.08 0.00 0.00 29.97 30.04 1p8a h ARG 17 CO 0.00 0.00 -0.08 -1.13 -1.07 0.00 0.00 179.97 177.69 1p8a n SER 18 N -2.64 4.92 0.06 7.04 3.41 -1.26 -4.80 113.62 120.36 1p8a n SER 18 Ca -0.02 -3.50 0.11 0.00 -0.26 0.00 0.00 58.87 55.20 1p8a n SER 18 Cb 0.38 -0.86 0.43 0.00 -0.26 0.00 0.00 64.21 63.90 1p8a n SER 18 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1p8a n PRO 19 N 0.73 0.11 0.00 4.33 -0.04 -1.00 -2.63 135.00 136.50 1p8a n PRO 19 Ca 0.30 0.28 0.07 0.00 -0.04 0.00 0.00 63.50 64.11 1p8a n PRO 19 Cb 0.37 -1.68 0.41 0.00 -0.04 0.00 0.00 33.50 32.57 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 -1.64 2.43 -0.05 0.55 0.00 -1.26 -3.42 120.51 117.12 1p8a n ALA 20 Ca 0.04 -0.09 -0.10 0.00 0.00 0.00 0.00 53.44 53.29 1p8a n ALA 20 Cb 0.25 -1.23 0.05 0.00 0.00 0.00 0.00 19.45 18.52 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 0.59 0.68 0.09 0.00 4.81 -1.84 -1.00 114.58 117.91 1p8a h GLU 22 Ca 0.05 -0.32 -0.00 0.00 -0.13 0.00 0.00 59.36 58.95 1p8a h GLU 22 Cb 0.96 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.33 1p8a h GLU 22 CO 0.09 0.93 -0.04 0.78 -0.73 0.00 0.00 179.01 180.03 1p8a h GLY 23 N 0.43 -0.12 0.56 1.92 0.00 -1.72 0.35 103.07 104.50 1p8a h GLY 23 Ca 0.06 0.04 0.06 0.00 0.00 0.00 0.00 47.33 47.50 1p8a h GLY 23 CO 0.06 -0.04 0.16 1.19 0.00 0.00 0.00 176.54 177.90 1p8a h ILE 24 N -0.64 0.84 -0.04 2.60 6.09 -0.89 -0.70 117.51 124.77 1p8a h ILE 24 Ca -0.01 -0.11 -0.03 0.00 -1.37 0.00 0.00 64.86 63.34 1p8a h ILE 24 Cb 0.52 0.49 0.00 0.00 0.47 0.00 0.00 36.82 38.30 1p8a h ILE 24 CO 0.02 0.06 -0.09 0.00 -3.07 0.00 0.00 178.15 175.07 1p8a h ARG 26 N -0.42 0.29 0.00 0.00 2.47 -0.05 0.15 114.38 116.82 1p8a h ARG 26 Ca -0.00 -0.02 -0.10 0.00 -1.26 0.00 0.00 59.98 58.61 1p8a h ARG 26 Cb 0.68 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.92 1p8a h ARG 26 CO 0.02 0.19 -0.70 0.22 0.56 0.00 0.00 179.97 180.26 1p8a h ASP 27 N 0.30 0.00 1.20 7.04 3.58 -1.13 0.83 116.42 128.24 1p8a h ASP 27 Ca 0.43 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.84 1p8a h ASP 27 Cb 0.73 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.77 1p8a h ASP 27 CO -0.50 0.41 -0.19 -0.03 -2.88 0.00 0.00 179.24 176.05 1p8a h MET 28 N 0.00 0.00 0.00 0.28 4.05 0.20 -3.40 114.93 116.06 1p8a h MET 28 Ca -0.04 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.38 1p8a h MET 28 Cb 1.35 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.15 1p8a h MET 28 CO 0.05 0.19 0.00 1.33 0.23 0.00 0.00 176.91 178.70 1p8a n VAL 29 N -3.26 0.00 -4.25 -5.77 0.24 0.27 -5.03 118.33 100.53 1p8a n VAL 29 Ca 0.01 0.00 -0.34 0.00 -2.04 0.00 0.00 64.34 61.97 1p8a n VAL 29 Cb 0.47 0.00 -0.08 0.00 -1.47 0.00 0.00 33.84 32.76 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 0.70 -0.24 1.36 7.63 0.00 0.29 -4.63 105.19 110.29 1p8a n GLY 30 Ca 0.00 0.11 -0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.42 -0.10 0.00 1.61 2.03 -1.26 -5.07 116.55 111.33 1p8a n ASP 31 Ca -0.09 -0.88 0.00 0.00 0.52 0.00 0.00 54.79 54.33 1p8a n ASP 31 Cb 0.53 0.04 0.00 0.00 -0.72 0.00 0.00 41.12 40.97 1p8a n ASP 31 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1p8a n LYS 32 N -0.09 0.00 0.00 -0.67 4.76 -1.26 -5.10 118.16 115.80 1p8a n LYS 32 Ca -0.01 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.43 1p8a n LYS 32 Cb 0.47 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.66 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 0.00 -0.34 -0.35 4.77 -1.25 -4.89 117.00 114.95 1p8a n LEU 33 Ca 0.00 0.00 0.26 0.00 -0.03 0.00 0.00 56.01 56.24 1p8a n LEU 33 Cb 0.00 0.00 0.40 0.00 -2.33 0.00 0.00 43.42 41.49 1p8a n LEU 33 CO 0.00 0.00 0.73 2.30 -1.33 0.00 0.00 177.39 179.09 1p8a n ILE 34 N -0.95 -0.02 -1.69 -0.08 -6.64 0.19 -3.86 119.36 106.30 1p8a n ILE 34 Ca 0.00 0.78 -0.17 0.00 -1.77 0.00 0.00 62.75 61.59 1p8a n ILE 34 Cb 0.00 -1.30 -0.07 0.00 -1.44 0.00 0.00 39.64 36.83 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 -4.02 3.12 0.20 7.28 1.09 -1.26 0.33 121.20 127.93 1p8a s ILE 35 Ca -0.03 -0.13 0.05 0.00 -1.10 0.00 0.00 60.65 59.44 1p8a s ILE 35 Cb 0.14 -3.47 -0.05 0.00 -1.06 0.00 0.00 42.46 38.02 1p8a s ILE 35 CO 0.45 -0.24 -0.07 -1.81 -0.10 0.00 0.00 174.94 173.17 1p8a s ASP 36 N 9.68 1.97 -0.03 3.58 1.01 0.49 -4.89 116.67 128.48 1p8a s ASP 36 Ca 0.85 -1.10 -0.02 0.00 0.71 0.00 0.00 52.55 52.98 1p8a s ASP 36 Cb -0.10 -0.03 0.01 0.00 1.01 0.00 0.00 42.92 43.81 1p8a s ASP 36 CO 0.09 -0.38 0.07 -0.44 0.21 0.00 0.00 175.17 174.71 1p8a s SER 37 N -3.26 -0.07 0.13 0.27 0.01 -1.26 0.42 113.70 109.94 1p8a s SER 37 Ca 0.23 0.14 -0.13 0.00 1.31 0.00 0.00 55.95 57.49 1p8a s SER 37 Cb 0.03 0.14 0.05 0.00 0.21 0.00 0.00 66.02 66.45 1p8a s SER 37 CO 0.05 -0.02 0.64 0.00 0.41 0.00 0.00 173.24 174.32 1p8a n ALA 38 N 3.05 -1.65 0.00 1.44 0.00 -0.44 -4.86 120.51 118.04 1p8a n ALA 38 Ca -0.12 -0.66 0.00 0.00 0.00 0.00 0.00 53.44 52.65 1p8a n ALA 38 Cb 0.60 0.39 0.00 0.00 0.00 0.00 0.00 19.45 20.43 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 -1.58 0.00 -2.71 0.00 0.00 -1.26 -4.08 120.51 110.88 1p8a n ALA 39 Ca -0.09 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.92 1p8a n ALA 39 Cb 0.37 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.83 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 -0.26 4.73 0.00 0.00 5.66 -1.26 -3.26 114.28 119.89 1p8a n THR 40 Ca 0.00 -5.07 0.00 0.00 -3.05 0.00 0.00 64.05 55.93 1p8a n THR 40 Cb 0.00 -2.28 0.00 0.00 -1.55 0.00 0.00 70.33 66.50 1p8a n THR 40 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1p8a n SER 41 N 2.98 0.00 -4.23 1.09 2.88 -1.26 -4.83 113.62 110.25 1p8a n SER 41 Ca 0.33 0.00 -0.44 0.00 -1.33 0.00 0.00 58.87 57.43 1p8a n SER 41 Cb 0.36 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.82 1p8a n SER 41 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1p8a n GLY 42 N 0.00 4.43 1.36 0.46 0.00 -1.26 -3.85 105.19 106.33 1p8a n GLY 42 Ca 0.00 -2.53 0.00 0.00 0.00 0.00 0.00 46.02 43.49 1p8a n GLY 42 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1p8a n PHE 43 N 2.65 -0.65 -2.85 1.61 3.72 -1.26 -4.95 117.46 115.73 1p8a n PHE 43 Ca 0.27 0.12 -0.43 0.00 -0.05 0.00 0.00 57.45 57.35 1p8a n PHE 43 Cb 0.38 0.19 -0.03 0.00 -0.94 0.00 0.00 39.48 39.08 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 -2.00 2.89 0.00 1.38 3.76 -1.26 -4.67 115.29 115.38 1p8a s HIS 44 Ca 0.00 -1.03 0.00 0.00 -0.15 0.00 0.00 55.06 53.88 1p8a s HIS 44 Cb 0.00 -4.35 0.00 0.00 1.11 0.00 0.00 32.58 29.34 1p8a s HIS 44 CO 0.00 -1.61 0.22 0.28 -0.85 0.00 0.00 174.74 172.78 1p8a n VAL 45 N 5.83 0.00 -1.94 -0.90 0.31 -1.26 -4.42 118.33 115.96 1p8a n VAL 45 Ca 0.16 -0.35 -0.27 0.00 -0.01 0.00 0.00 64.34 63.87 1p8a n VAL 45 Cb 0.48 1.19 0.03 0.00 -0.91 0.00 0.00 33.84 34.63 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 0.26 6.22 0.00 2.92 0.00 -1.26 -4.69 105.19 108.64 1p8a n GLY 46 Ca 0.00 -2.61 0.00 0.00 0.00 0.00 0.00 46.02 43.41 1p8a n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p8a n GLN 47 N -0.71 0.00 -2.67 1.61 10.64 -1.26 -5.08 117.38 119.90 1p8a n GLN 47 Ca 0.47 0.00 -0.00 0.00 -1.83 0.00 0.00 57.00 55.64 1p8a n GLN 47 Cb 0.84 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 30.22 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 -6.41 -3.43 2.61 2.88 -1.26 -4.79 113.62 103.22 1p8a n SER 48 Ca 0.00 -0.02 -0.34 0.00 -1.33 0.00 0.00 58.87 57.19 1p8a n SER 48 Cb 0.00 -4.28 -0.04 0.00 -0.75 0.00 0.00 64.21 59.14 1p8a n SER 48 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1p8a n PRO 49 N -1.49 1.50 -0.61 -1.46 -0.04 -1.26 -4.63 135.00 127.00 1p8a n PRO 49 Ca 0.01 -1.57 -0.12 0.00 -0.04 0.00 0.00 63.50 61.78 1p8a n PRO 49 Cb 0.49 -2.67 0.08 0.00 -0.04 0.00 0.00 33.50 31.35 1p8a n PRO 49 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1p8a n ASP 50 N 6.33 3.80 0.08 3.54 5.75 -1.26 -4.18 116.55 130.61 1p8a n ASP 50 Ca 0.44 -2.78 -0.11 0.00 -0.01 0.00 0.00 54.79 52.33 1p8a n ASP 50 Cb 0.29 -0.72 -0.03 0.00 -1.03 0.00 0.00 41.12 39.64 1p8a n ASP 50 CO 0.00 0.00 0.00 0.74 -0.11 0.00 0.00 177.20 177.83 1p8a h THR 51 N 0.54 1.45 -0.07 2.12 2.02 -1.98 -1.17 112.91 115.81 1p8a h THR 51 Ca 0.29 -2.54 -0.04 0.00 0.77 0.00 0.00 66.41 64.89 1p8a h THR 51 Cb 1.72 2.44 -0.00 0.00 -1.74 0.00 0.00 68.15 70.58 1p8a h THR 51 CO 0.54 0.75 -0.11 0.03 0.37 0.00 0.00 175.52 177.10 1p8a h ARG 52 N 0.17 0.20 0.61 6.66 2.47 -1.99 0.15 114.38 122.65 1p8a h ARG 52 Ca -0.06 -0.12 -0.03 0.00 -1.26 0.00 0.00 59.98 58.51 1p8a h ARG 52 Cb 1.54 0.01 0.01 0.00 -1.65 0.00 0.00 29.97 29.88 1p8a h ARG 52 CO 0.15 0.68 -0.29 1.03 0.56 0.00 0.00 179.97 182.10 1p8a h SER 53 N -0.26 -0.69 -0.68 7.04 0.87 -1.84 -1.31 113.55 116.68 1p8a h SER 53 Ca 0.01 -0.01 0.08 0.00 -1.23 0.00 0.00 61.79 60.63 1p8a h SER 53 Cb 0.66 0.18 -0.04 0.00 -0.44 0.00 0.00 62.40 62.76 1p8a h SER 53 CO 0.03 -0.42 0.45 0.06 -0.53 0.00 0.00 176.83 176.41 1p8a h GLN 54 N -0.93 0.60 0.31 2.24 -0.00 -1.29 -0.79 115.11 115.26 1p8a h GLN 54 Ca -0.08 -0.04 -0.01 0.00 -0.00 0.00 0.00 58.65 58.52 1p8a h GLN 54 Cb 0.66 -0.13 -0.00 0.00 -0.00 0.00 0.00 27.48 28.00 1p8a h GLN 54 CO 0.14 0.40 -0.21 -0.22 -0.00 0.00 0.00 178.83 178.94 1p8a h LYS 55 N 0.62 -0.47 -1.01 0.06 1.63 -0.22 -0.97 116.57 116.20 1p8a h LYS 55 Ca 0.30 0.03 0.25 0.00 -0.85 0.00 0.00 60.65 60.38 1p8a h LYS 55 Cb 0.38 0.11 -0.09 0.00 -0.60 0.00 0.00 32.23 32.03 1p8a h LYS 55 CO -0.10 -0.31 0.66 0.28 -3.45 0.00 0.00 179.45 176.52 1p8a h VAL 56 N -0.49 0.56 -0.11 2.00 2.07 -0.93 0.19 116.25 119.55 1p8a h VAL 56 Ca -0.04 -0.14 0.04 0.00 0.82 0.00 0.00 66.70 67.38 1p8a h VAL 56 Cb 0.39 0.11 -0.05 0.00 -1.52 0.00 0.00 31.29 30.23 1p8a h VAL 56 CO 0.03 0.08 -0.20 0.00 0.02 0.00 0.00 177.57 177.50 1p8a h LYS 58 N -0.26 0.00 -0.00 0.00 3.64 0.48 1.91 116.57 122.35 1p8a h LYS 58 Ca 0.09 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1p8a h LYS 58 Cb 0.40 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 1p8a h LYS 58 CO -0.26 0.07 -0.29 0.43 -2.27 0.00 0.00 179.45 177.13 1p8a n SER 59 N -3.19 0.41 -0.00 4.20 7.64 0.21 -3.70 113.62 119.19 1p8a n SER 59 Ca 0.01 -0.16 0.04 0.00 1.01 0.00 0.00 58.87 59.76 1p8a n SER 59 Cb 0.36 -0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.49 1p8a n SER 59 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1p8a n ASN 60 N -1.34 2.46 0.00 6.43 5.03 0.21 -4.99 115.26 123.06 1p8a n ASN 60 Ca 0.08 -0.16 0.00 0.00 0.87 0.00 0.00 54.58 55.37 1p8a n ASN 60 Cb 0.33 1.30 0.00 0.00 -1.02 0.00 0.00 39.78 40.39 1p8a n ASN 60 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1p8a n GLY 61 N 1.83 0.89 3.52 7.41 0.00 -0.07 -5.07 105.19 113.71 1p8a n GLY 61 Ca -0.01 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.03 0.00 -0.02 1.61 1.01 0.63 -4.93 120.40 117.67 1p8a s VAL 62 Ca 0.00 -0.04 0.01 0.00 0.00 0.00 0.00 61.98 61.96 1p8a s VAL 62 Cb 0.00 -0.93 0.01 0.00 0.00 0.00 0.00 36.38 35.46 1p8a s VAL 62 CO 0.00 -0.02 -0.04 1.51 0.00 0.00 0.00 175.10 176.55 1p8a s ASP 63 N -0.41 0.70 0.42 3.32 -4.77 -1.26 0.19 116.67 114.85 1p8a s ASP 63 Ca -0.06 -0.10 0.00 0.00 -3.30 0.00 0.00 52.55 49.10 1p8a s ASP 63 Cb -0.03 -0.20 0.02 0.00 -1.09 0.00 0.00 42.92 41.62 1p8a s ASP 63 CO 0.05 0.01 0.15 2.30 0.70 0.00 0.00 175.17 178.38 1p8a n ILE 64 N 3.42 0.00 0.01 2.11 -5.35 -1.26 -4.25 119.36 114.04 1p8a n ILE 64 Ca -0.19 -0.24 0.00 0.00 -0.27 0.00 0.00 62.75 62.05 1p8a n ILE 64 Cb 0.55 -1.29 0.00 0.00 -1.74 0.00 0.00 39.64 37.16 1p8a n ILE 64 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 1p8a n SER 65 N -2.98 0.07 -3.59 7.28 7.64 -1.26 -4.94 113.62 115.84 1p8a n SER 65 Ca 0.03 0.05 -0.10 0.00 1.01 0.00 0.00 58.87 59.85 1p8a n SER 65 Cb 0.09 0.01 -0.05 0.00 -1.01 0.00 0.00 64.21 63.24 1p8a n SER 65 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 1p8a s LYS 66 N -2.00 0.54 -0.43 1.43 0.00 -1.26 -5.12 119.74 112.90 1p8a s LYS 66 Ca 0.00 0.17 -0.04 0.00 0.00 0.00 0.00 55.97 56.10 1p8a s LYS 66 Cb 0.00 0.26 0.11 0.00 0.00 0.00 0.00 37.83 38.20 1p8a s LYS 66 CO 0.00 -0.16 0.24 -0.65 0.00 0.00 0.00 175.35 174.78 1p8a s GLN 67 N -0.97 2.12 -0.39 1.78 -1.52 -1.26 -5.06 119.66 114.36 1p8a s GLN 67 Ca -0.01 -1.85 -0.14 0.00 -1.95 0.00 0.00 55.36 51.41 1p8a s GLN 67 Cb -0.01 -3.66 0.01 0.00 -0.22 0.00 0.00 33.01 29.13 1p8a s GLN 67 CO 0.00 -1.10 0.28 0.50 -0.25 0.00 0.00 175.29 174.72 1p8a s ARG 68 N 1.12 3.16 -0.56 2.91 3.00 -1.26 -5.03 118.95 122.28 1p8a s ARG 68 Ca 0.08 -0.88 -0.19 0.00 -1.00 0.00 0.00 55.73 53.74 1p8a s ARG 68 Cb -0.23 -3.92 0.08 0.00 0.00 0.00 0.00 34.95 30.88 1p8a s ARG 68 CO -0.04 -0.64 0.69 0.00 0.00 0.00 0.00 175.30 175.31 1p8a s ALA 69 N 1.70 3.38 0.22 6.12 0.00 -1.26 -4.94 121.76 126.99 1p8a s ALA 69 Ca 0.06 -1.97 0.10 0.00 0.00 0.00 0.00 51.96 50.14 1p8a s ALA 69 Cb -0.18 -3.48 -0.05 0.00 0.00 0.00 0.00 23.12 19.41 1p8a s ALA 69 CO 0.10 -2.23 -0.19 -0.98 0.00 0.00 0.00 175.76 172.46 1p8a s ARG 70 N 2.78 1.48 0.45 0.00 1.70 -1.26 -4.65 118.95 119.45 1p8a s ARG 70 Ca 0.14 -1.61 -0.25 0.00 -0.47 0.00 0.00 55.73 53.54 1p8a s ARG 70 Cb -0.21 -1.52 -0.08 0.00 -0.57 0.00 0.00 34.95 32.57 1p8a s ARG 70 CO 0.09 0.29 1.33 -1.14 -1.08 0.00 0.00 175.30 174.79 1p8a s GLN 71 N -3.27 3.72 -1.03 3.89 0.74 -1.26 -4.53 119.66 117.90 1p8a s GLN 71 Ca 0.24 2.20 -0.20 0.00 0.05 0.00 0.00 55.36 57.64 1p8a s GLN 71 Cb -0.04 -2.60 0.10 0.00 1.10 0.00 0.00 33.01 31.56 1p8a s GLN 71 CO 0.10 -0.71 1.36 -1.50 -0.55 0.00 0.00 175.29 173.98 1p8a s ILE 72 N -1.29 4.36 1.19 -2.34 2.07 -1.20 -4.94 121.20 119.05 1p8a s ILE 72 Ca 0.61 -1.39 -0.14 0.00 -1.41 0.00 0.00 60.65 58.33 1p8a s ILE 72 Cb -0.39 -4.95 0.28 0.00 0.13 0.00 0.00 42.46 37.52 1p8a s ILE 72 CO 0.49 -1.75 0.88 0.41 -1.91 0.00 0.00 174.94 173.05 1p8a n THR 73 N 6.08 0.00 0.31 4.00 -1.04 -1.26 -4.81 114.28 117.56 1p8a n THR 73 Ca 0.32 -0.45 0.04 0.00 -2.04 0.00 0.00 64.05 61.91 1p8a n THR 73 Cb 0.49 -0.95 0.19 0.00 -1.82 0.00 0.00 70.33 68.24 1p8a n THR 73 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1p8a n LYS 74 N -4.64 0.03 0.12 -2.82 5.02 -1.26 -2.01 118.16 112.60 1p8a n LYS 74 Ca 0.02 0.32 -0.02 0.00 -2.02 0.00 0.00 58.31 56.62 1p8a n LYS 74 Cb 0.55 -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 -0.52 0.00 0.00 177.40 176.88 1p8a h ALA 75 N 2.31 0.74 -1.03 7.82 0.00 -2.00 -3.16 119.26 123.94 1p8a h ALA 75 Ca 0.00 -0.64 0.30 0.00 0.00 0.00 0.00 54.91 54.57 1p8a h ALA 75 Cb 0.13 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 1p8a h ALA 75 CO 0.00 0.88 0.74 -0.44 0.00 0.00 0.00 179.25 180.43 1p8a h ASP 76 N 0.00 0.00 -0.90 0.00 3.32 -1.72 0.57 116.42 117.70 1p8a h ASP 76 Ca -0.01 0.00 0.06 0.00 0.02 0.00 0.00 57.03 57.10 1p8a h ASP 76 Cb 1.32 -0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.81 1p8a h ASP 76 CO 0.09 0.00 0.57 -0.26 -1.72 0.00 0.00 179.24 177.92 1p8a h PHE 77 N 0.00 1.05 0.00 4.55 0.04 -1.77 -3.11 116.94 117.71 1p8a h PHE 77 Ca 0.49 0.03 -0.38 0.00 2.80 0.00 0.00 57.97 60.91 1p8a h PHE 77 Cb 1.97 -0.34 -0.07 0.00 2.20 0.00 0.00 35.95 39.70 1p8a h PHE 77 CO -0.00 0.55 -2.42 0.43 -0.60 0.00 0.00 178.31 176.27 1p8a n SER 78 N -4.57 0.79 -0.49 2.17 7.64 0.54 -4.32 113.62 115.38 1p8a n SER 78 Ca 0.13 -0.06 0.42 0.00 1.01 0.00 0.00 58.87 60.37 1p8a n SER 78 Cb 0.16 0.44 0.75 0.00 -1.01 0.00 0.00 64.21 64.55 1p8a n SER 78 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1p8a h LYS 79 N 0.00 0.04 -5.27 1.43 1.63 0.02 -3.39 116.57 111.03 1p8a h LYS 79 Ca -0.56 -0.00 -0.39 0.00 -0.85 0.00 0.00 60.65 58.85 1p8a h LYS 79 Cb 2.11 -0.01 -0.20 0.00 -0.60 0.00 0.00 32.23 33.53 1p8a h LYS 79 CO -0.02 0.02 -0.76 -0.06 -3.45 0.00 0.00 179.45 175.18 1p8a s PHE 80 N -5.00 1.22 0.04 1.91 0.08 -1.18 -4.96 117.98 110.09 1p8a s PHE 80 Ca -0.06 -0.53 -0.21 0.00 0.12 0.00 0.00 56.93 56.26 1p8a s PHE 80 Cb 0.26 -0.67 -0.14 0.00 -0.57 0.00 0.00 43.02 41.90 1p8a s PHE 80 CO 0.84 0.07 1.39 -0.44 -0.10 0.00 0.00 175.22 176.98 1p8a h ASP 81 N 3.94 0.30 -4.07 1.36 5.19 -1.76 -3.43 116.42 117.95 1p8a h ASP 81 Ca -0.40 -0.42 -0.37 0.00 -0.62 0.00 0.00 57.03 55.23 1p8a h ASP 81 Cb 1.19 -0.08 -0.17 0.00 0.18 0.00 0.00 39.33 40.45 1p8a h ASP 81 CO 0.46 0.66 -0.74 -0.69 -3.12 0.00 0.00 179.24 175.81 1p8a s VAL 82 N -4.54 1.20 -0.03 -1.35 1.01 -0.40 -1.41 120.40 114.89 1p8a s VAL 82 Ca -0.14 -1.82 0.07 0.00 0.00 0.00 0.00 61.98 60.08 1p8a s VAL 82 Cb 0.05 -1.60 -0.02 0.00 0.00 0.00 0.00 36.38 34.81 1p8a s VAL 82 CO 0.73 -0.56 -0.23 -0.63 0.00 0.00 0.00 175.10 174.41 1p8a s ILE 83 N -2.61 2.34 -0.32 2.22 1.09 0.52 -1.17 121.20 123.27 1p8a s ILE 83 Ca 0.11 -1.00 -0.12 0.00 -1.10 0.00 0.00 60.65 58.54 1p8a s ILE 83 Cb -0.02 -1.84 -0.03 0.00 -1.06 0.00 0.00 42.46 39.51 1p8a s ILE 83 CO 0.02 0.58 0.22 0.00 -0.10 0.00 0.00 174.94 175.66 1p8a s ALA 84 N -0.64 3.50 -0.45 9.38 0.00 -0.12 -1.16 121.76 132.27 1p8a s ALA 84 Ca 0.10 -1.29 -0.06 0.00 0.00 0.00 0.00 51.96 50.71 1p8a s ALA 84 Cb -0.10 -2.59 0.12 0.00 0.00 0.00 0.00 23.12 20.55 1p8a s ALA 84 CO -0.01 -0.83 0.29 0.00 0.00 0.00 0.00 175.76 175.21 1p8a s ALA 85 N 1.73 3.30 0.04 0.00 0.00 -0.36 0.28 121.76 126.75 1p8a s ALA 85 Ca 0.06 -2.57 -0.30 0.00 0.00 0.00 0.00 51.96 49.15 1p8a s ALA 85 Cb -0.17 -2.64 -0.17 0.00 0.00 0.00 0.00 23.12 20.14 1p8a s ALA 85 CO 0.10 -1.87 1.41 -0.07 0.00 0.00 0.00 175.76 175.34 1p8a h LEU 86 N 8.21 -0.92-10.62 0.00 4.07 -1.50 -0.84 115.31 113.72 1p8a h LEU 86 Ca -0.16 0.03 -0.46 0.00 0.08 0.00 0.00 57.88 57.37 1p8a h LEU 86 Cb 1.06 0.24 0.09 0.00 1.08 0.00 0.00 40.66 43.12 1p8a h LEU 86 CO 0.78 -0.64 0.24 -0.62 -1.08 0.00 0.00 178.44 177.12 1p8a s ASP 87 N -3.70 4.57 -0.03 -0.43 -1.08 -1.26 -4.41 116.67 110.33 1p8a s ASP 87 Ca -0.16 0.34 -0.14 0.00 -0.52 0.00 0.00 52.55 52.07 1p8a s ASP 87 Cb 0.02 -0.89 -0.32 0.00 -1.46 0.00 0.00 42.92 40.27 1p8a s ASP 87 CO 0.47 -1.76 0.76 1.56 0.52 0.00 0.00 175.17 176.73 1p8a h GLN 88 N -0.71 0.42 -1.16 4.34 4.20 -1.93 -3.32 115.11 116.96 1p8a h GLN 88 Ca -0.43 -0.72 0.40 0.00 0.06 0.00 0.00 58.65 57.95 1p8a h GLN 88 Cb 1.30 0.27 -0.14 0.00 0.30 0.00 0.00 27.48 29.21 1p8a h GLN 88 CO 0.55 1.34 0.71 0.77 -0.67 0.00 0.00 178.83 181.53 1p8a h SER 89 N 0.05 0.34 0.18 1.46 0.02 -1.95 0.47 113.55 114.12 1p8a h SER 89 Ca -0.30 0.17 -0.01 0.00 -0.84 0.00 0.00 61.79 60.81 1p8a h SER 89 Cb 2.06 0.15 0.00 0.00 0.14 0.00 0.00 62.40 64.76 1p8a h SER 89 CO 0.19 -0.21 -0.09 0.40 -1.14 0.00 0.00 176.83 175.98 1p8a h ILE 90 N 0.14 0.81 0.00 3.27 5.03 -1.85 -0.82 117.51 124.09 1p8a h ILE 90 Ca 0.79 -1.04 0.00 0.00 -0.12 0.00 0.00 64.86 64.49 1p8a h ILE 90 Cb 2.23 1.34 0.00 0.00 -3.03 0.00 0.00 36.82 37.35 1p8a h ILE 90 CO -0.54 0.20 0.00 0.25 -0.68 0.00 0.00 178.15 177.38 1p8a h LEU 91 N -0.85 0.00 0.00 1.44 5.85 -0.97 0.58 115.31 121.36 1p8a h LEU 91 Ca -0.03 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 1p8a h LEU 91 Cb 0.52 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.54 1p8a h LEU 91 CO 0.04 0.00 -0.41 0.77 -0.34 0.00 0.00 178.44 178.50 1p8a h SER 92 N 0.00 0.00 0.02 1.25 4.64 -0.12 -3.32 113.55 116.03 1p8a h SER 92 Ca 0.00 -0.11 -0.00 0.00 -0.47 0.00 0.00 61.79 61.21 1p8a h SER 92 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1p8a h SER 92 CO 0.00 0.77 -0.01 0.44 -0.87 0.00 0.00 176.83 177.16 1p8a h ASP 93 N -1.00 -0.03 -0.94 4.97 5.19 -1.08 -2.90 116.42 120.63 1p8a h ASP 93 Ca -0.04 -0.23 0.29 0.00 -0.62 0.00 0.00 57.03 56.43 1p8a h ASP 93 Cb 0.47 0.01 -0.16 0.00 0.18 0.00 0.00 39.33 39.83 1p8a h ASP 93 CO -0.02 0.21 0.31 -0.29 -3.12 0.00 0.00 179.24 176.33 1p8a h ILE 94 N -0.27 0.20 -0.17 0.35 2.10 -1.07 1.33 117.51 119.99 1p8a h ILE 94 Ca -0.00 -0.05 -0.01 0.00 1.08 0.00 0.00 64.86 65.87 1p8a h ILE 94 Cb 0.25 0.03 -0.01 0.00 -1.09 0.00 0.00 36.82 36.00 1p8a h ILE 94 CO 0.01 0.03 0.07 -1.13 -1.08 0.00 0.00 178.15 176.04 1p8a h ASN 95 N 0.16 0.20 0.27 2.19 -0.73 -1.61 0.37 115.58 116.44 1p8a h ASN 95 Ca 0.64 -0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.80 1p8a h ASN 95 Cb 1.43 -0.05 0.00 0.00 0.27 0.00 0.00 38.32 39.97 1p8a h ASN 95 CO -0.72 0.19 0.00 -0.24 -0.37 0.00 0.00 177.43 176.30 1p8a n SER 96 N -4.46 0.30 0.00 1.15 2.88 0.46 -2.58 113.62 111.36 1p8a n SER 96 Ca -0.00 0.61 0.00 0.00 -1.33 0.00 0.00 58.87 58.14 1p8a n SER 96 Cb 0.12 -0.66 0.00 0.00 -0.75 0.00 0.00 64.21 62.92 1p8a n SER 96 CO 0.00 0.00 0.00 1.15 -1.23 0.00 0.00 175.04 174.96 1p8a n MET 97 N -1.87 1.77 -1.24 -1.46 0.00 -0.02 -5.06 117.12 109.24 1p8a n MET 97 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 57.70 57.36 1p8a n MET 97 Cb 0.10 -0.84 0.09 0.00 0.00 0.00 0.00 33.22 32.57 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 -1.19 0.33 0.00 3.17 5.02 0.11 -5.00 118.16 120.60 1p8a n LYS 98 Ca 0.00 0.17 0.00 0.00 -2.02 0.00 0.00 58.31 56.46 1p8a n LYS 98 Cb 0.00 -2.11 0.00 0.00 -0.02 0.00 0.00 35.03 32.90 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 -1.74 1.06 -3.90 1.97 -0.04 -1.26 -4.99 135.00 126.11 1p8a n PRO 99 Ca 0.12 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.27 1p8a n PRO 99 Cb 0.50 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.81 1p8a n PRO 99 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1p8a s SER 100 N -1.33 4.37 0.02 3.54 0.01 -1.26 -4.98 113.70 114.07 1p8a s SER 100 Ca 0.00 -1.84 0.00 0.00 1.31 0.00 0.00 55.95 55.42 1p8a s SER 100 Cb 0.00 -1.27 0.00 0.00 0.21 0.00 0.00 66.02 64.96 1p8a s SER 100 CO 0.00 -0.38 0.00 0.59 0.41 0.00 0.00 173.24 173.86 1p8a n ASN 101 N 4.54 -8.16 -0.44 2.44 5.03 -1.26 -5.09 115.26 112.32 1p8a n ASN 101 Ca -0.00 1.51 0.00 0.00 0.87 0.00 0.00 54.58 56.96 1p8a n ASN 101 Cb 0.42 -4.42 0.00 0.00 -1.02 0.00 0.00 39.78 34.76 1p8a n ASN 101 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1p8a n ARG 103 N 0.00 1.67 -3.00 0.00 3.00 -1.26 -4.89 116.66 112.18 1p8a n ARG 103 Ca 0.00 -1.51 -0.06 0.00 -0.01 0.00 0.00 57.85 56.27 1p8a n ARG 103 Cb 0.00 -1.59 0.02 0.00 0.00 0.00 0.00 32.46 30.89 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 -0.15 -1.33 -3.61 7.54 0.00 -1.26 -4.69 120.51 117.01 1p8a n ALA 104 Ca 0.30 -0.89 -0.04 0.00 0.00 0.00 0.00 53.44 52.81 1p8a n ALA 104 Cb 0.95 0.70 -0.02 0.00 0.00 0.00 0.00 19.45 21.08 1p8a n ALA 104 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1p8a s LYS 105 N -2.06 0.22 0.12 0.00 -2.85 -0.50 -4.99 119.74 109.68 1p8a s LYS 105 Ca 0.12 -0.06 0.07 0.00 -1.00 0.00 0.00 55.97 55.10 1p8a s LYS 105 Cb -0.03 0.10 -0.04 0.00 -2.06 0.00 0.00 37.83 35.80 1p8a s LYS 105 CO 0.08 -0.09 -0.05 0.14 0.10 0.00 0.00 175.35 175.53 1p8a s VAL 106 N -2.08 3.59 0.02 1.79 -7.23 -1.26 -0.35 120.40 114.87 1p8a s VAL 106 Ca 0.09 -1.27 0.01 0.00 -1.81 0.00 0.00 61.98 59.00 1p8a s VAL 106 Cb -0.01 -2.72 -0.02 0.00 0.56 0.00 0.00 36.38 34.19 1p8a s VAL 106 CO -0.04 0.05 -0.04 0.68 -0.31 0.00 0.00 175.10 175.44 1p8a s VAL 107 N -1.39 0.20 -0.10 1.32 -7.23 -0.31 -4.86 120.40 108.04 1p8a s VAL 107 Ca 0.24 -0.73 -0.28 0.00 -1.81 0.00 0.00 61.98 59.40 1p8a s VAL 107 Cb -0.11 -0.29 -0.02 0.00 0.56 0.00 0.00 36.38 36.52 1p8a s VAL 107 CO 0.16 -0.34 0.94 -0.22 -0.31 0.00 0.00 175.10 175.33 1p8a s LEU 108 N -1.12 4.25 -0.90 1.32 2.96 -1.26 -1.23 118.68 122.70 1p8a s LEU 108 Ca -0.10 1.44 -0.17 0.00 -0.22 0.00 0.00 54.13 55.07 1p8a s LEU 108 Cb -0.08 -3.44 0.17 0.00 0.50 0.00 0.00 46.19 43.34 1p8a s LEU 108 CO -0.00 -0.38 1.00 -0.36 -1.32 0.00 0.00 176.35 175.28 1p8a s PHE 109 N 1.80 3.37 0.50 5.38 0.40 -0.32 -4.88 117.98 124.23 1p8a s PHE 109 Ca 0.46 -1.64 0.00 0.00 -0.60 0.00 0.00 56.93 55.15 1p8a s PHE 109 Cb -0.18 -4.11 0.00 0.00 0.51 0.00 0.00 43.02 39.24 1p8a s PHE 109 CO 0.18 -1.30 0.00 0.09 0.70 0.00 0.00 175.22 174.89 1p8a n ASN 110 N 5.55 -6.86 -4.25 1.36 4.13 -1.26 -4.66 115.26 109.26 1p8a n ASN 110 Ca 0.20 1.15 -0.29 0.00 1.68 0.00 0.00 54.58 57.32 1p8a n ASN 110 Cb 0.48 -4.43 0.19 0.00 -1.54 0.00 0.00 39.78 34.49 1p8a n ASN 110 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1p8a s PRO 111 N -4.14 0.08 -0.16 3.52 0.04 -1.26 -4.74 135.00 128.34 1p8a s PRO 111 Ca 0.00 -0.01 -0.04 0.00 0.04 0.00 0.00 61.00 60.99 1p8a s PRO 111 Cb 0.00 -1.74 -0.16 0.00 0.04 0.00 0.00 34.50 32.64 1p8a s PRO 111 CO 0.00 -2.85 2.53 -0.35 0.04 0.00 0.00 177.00 176.37 1p8a n PRO 112 N -4.16 1.49 0.04 0.56 -0.04 -1.26 -3.97 135.00 127.66 1p8a n PRO 112 Ca 0.11 -0.81 0.00 0.00 -0.04 0.00 0.00 63.50 62.77 1p8a n PRO 112 Cb 0.59 -1.93 0.00 0.00 -0.04 0.00 0.00 33.50 32.12 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 2.87 0.60 0.00 3.54 4.13 -1.26 -4.89 115.26 120.26 1p8a n ASN 113 Ca 0.32 0.11 0.00 0.00 1.68 0.00 0.00 54.58 56.69 1p8a n ASN 113 Cb 0.54 -0.16 0.00 0.00 -1.54 0.00 0.00 39.78 38.63 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 3.27 -3.16 3.68 7.41 0.00 -1.25 -4.18 105.19 110.96 1p8a n GLY 114 Ca 0.00 0.51 -0.42 0.00 0.00 0.00 0.00 46.02 46.11 1p8a n GLY 114 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1p8a s VAL 115 N -2.39 3.73 0.24 1.61 -7.23 -1.26 -4.42 120.40 110.69 1p8a s VAL 115 Ca 0.00 1.06 0.11 0.00 -1.81 0.00 0.00 61.98 61.34 1p8a s VAL 115 Cb 0.00 -3.68 -0.05 0.00 0.56 0.00 0.00 36.38 33.21 1p8a s VAL 115 CO 0.00 -0.03 -0.20 -0.62 -0.31 0.00 0.00 175.10 173.94 1p8a s ASP 116 N 2.15 3.34 -0.06 4.85 -1.08 -1.26 -4.92 116.67 119.70 1p8a s ASP 116 Ca 0.65 -0.99 -0.30 0.00 -0.52 0.00 0.00 52.55 51.39 1p8a s ASP 116 Cb -0.31 -0.26 -0.04 0.00 -1.46 0.00 0.00 42.92 40.86 1p8a s ASP 116 CO 0.26 0.02 1.31 1.51 0.52 0.00 0.00 175.17 178.79 1p8a s ASP 117 N -3.26 6.93 0.00 -0.34 -4.77 -1.26 -4.78 116.67 109.19 1p8a s ASP 117 Ca 0.26 1.92 0.00 0.00 -3.30 0.00 0.00 52.55 51.43 1p8a s ASP 117 Cb -0.05 -2.55 0.00 0.00 -1.09 0.00 0.00 42.92 39.23 1p8a s ASP 117 CO 0.12 -0.69 0.00 -0.81 0.70 0.00 0.00 175.17 174.49 1p8a n PRO 118 N 5.68 0.00 0.00 2.11 -0.04 -1.26 -4.74 135.00 136.74 1p8a n PRO 118 Ca 0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 1p8a n PRO 118 Cb 0.45 -0.18 0.00 0.00 -0.04 0.00 0.00 33.50 33.73 1p8a n PRO 118 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1p8a n TYR 119 N -0.00 0.00 -2.24 0.54 4.01 -1.26 -4.00 117.16 114.20 1p8a n TYR 119 Ca 0.00 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.39 1p8a n TYR 119 Cb 0.00 0.06 0.00 0.00 -0.31 0.00 0.00 39.34 39.09 1p8a n TYR 119 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 1p8a s TYR 120 N 0.00 2.67 0.00 -0.72 5.04 -1.26 -2.53 117.35 120.55 1p8a s TYR 120 Ca 0.00 1.54 0.00 0.00 -2.44 0.00 0.00 57.07 56.17 1p8a s TYR 120 Cb 0.00 -3.31 0.00 0.00 0.35 0.00 0.00 41.96 39.00 1p8a s TYR 120 CO 0.00 -1.61 0.00 -1.13 -1.34 0.00 0.00 175.55 171.47 1p8a n SER 121 N -1.23 -1.66 0.00 4.32 3.41 -1.26 -4.76 113.62 112.44 1p8a n SER 121 Ca 0.11 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.72 1p8a n SER 121 Cb 0.51 -1.33 0.00 0.00 -0.26 0.00 0.00 64.21 63.12 1p8a n SER 121 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1p8a n SER 122 N -0.16 0.00 -4.12 4.04 7.64 -1.05 -4.71 113.62 115.25 1p8a n SER 122 Ca 0.00 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.59 1p8a n SER 122 Cb 0.08 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.23 1p8a n SER 122 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1p8a n ASP 123 N 2.31 -0.09 0.00 6.43 2.03 -1.26 -4.27 116.55 121.70 1p8a n ASP 123 Ca 0.00 -1.11 0.00 0.00 0.52 0.00 0.00 54.79 54.20 1p8a n ASP 123 Cb 0.00 -2.47 0.00 0.00 -0.72 0.00 0.00 41.12 37.93 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 -2.14 0.05 0.33 0.27 0.00 -1.26 -4.79 105.19 97.66 1p8a n GLY 124 Ca -0.28 -0.03 0.06 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.44 0.40 1.61 0.04 -1.87 2.09 116.94 118.78 1p8a h PHE 125 Ca 0.00 0.08 -0.02 0.00 2.80 0.00 0.00 57.97 60.83 1p8a h PHE 125 Cb 0.00 0.34 0.00 0.00 2.20 0.00 0.00 35.95 38.49 1p8a h PHE 125 CO 0.00 -0.40 -0.19 -1.00 -0.60 0.00 0.00 178.31 176.12 1p8a h PRO 126 N 0.00 -0.52 -0.46 1.51 0.13 -1.96 -2.56 132.00 128.14 1p8a h PRO 126 Ca 0.46 0.04 0.08 0.00 -0.87 0.00 0.00 66.00 65.71 1p8a h PRO 126 Cb 0.73 0.12 -0.07 0.00 0.13 0.00 0.00 31.00 31.90 1p8a h PRO 126 CO -0.94 -0.30 0.04 1.15 -0.23 0.00 0.00 178.00 177.72 1p8a h THR 127 N -1.11 0.69 -0.04 1.56 2.02 -1.69 -1.37 112.91 112.97 1p8a h THR 127 Ca -0.06 -0.06 0.03 0.00 0.77 0.00 0.00 66.41 67.10 1p8a h THR 127 Cb 0.46 0.51 -0.06 0.00 -1.74 0.00 0.00 68.15 67.33 1p8a h THR 127 CO 0.09 0.03 -0.50 -0.03 0.37 0.00 0.00 175.52 175.49 1p8a h MET 128 N 0.16 -0.59 -0.44 6.66 -1.53 0.33 -0.45 114.93 119.07 1p8a h MET 128 Ca 0.23 0.04 0.09 0.00 -3.44 0.00 0.00 59.70 56.62 1p8a h MET 128 Cb 0.33 0.13 -0.09 0.00 -0.55 0.00 0.00 31.60 31.42 1p8a h MET 128 CO -0.35 -0.39 -0.14 0.35 0.14 0.00 0.00 176.91 176.52 1p8a h PHE 129 N -0.61 -0.32 -0.18 1.39 3.57 -0.98 0.23 116.94 120.03 1p8a h PHE 129 Ca 0.03 0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.63 1p8a h PHE 129 Cb 0.69 0.21 -0.07 0.00 2.79 0.00 0.00 35.95 39.57 1p8a h PHE 129 CO -0.50 -0.22 -0.38 0.00 -2.23 0.00 0.00 178.31 174.97 1p8a h ALA 130 N 1.37 -0.47 -0.42 2.41 0.00 -0.31 -0.97 119.26 120.87 1p8a h ALA 130 Ca 0.21 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.18 1p8a h ALA 130 Cb 0.37 0.74 -0.04 0.00 0.00 0.00 0.00 17.79 18.86 1p8a h ALA 130 CO -0.48 -0.86 0.21 0.77 0.00 0.00 0.00 179.25 178.89 1p8a h SER 131 N -0.42 0.31 -0.55 0.00 0.02 -0.18 -1.27 113.55 111.44 1p8a h SER 131 Ca 0.10 0.02 0.09 0.00 -0.84 0.00 0.00 61.79 61.15 1p8a h SER 131 Cb 0.59 -0.04 -0.10 0.00 0.14 0.00 0.00 62.40 62.99 1p8a h SER 131 CO -0.42 0.22 -0.43 0.40 -1.14 0.00 0.00 176.83 175.47 1p8a h ILE 132 N 0.43 0.10 -0.40 3.27 1.08 0.67 0.55 117.51 123.21 1p8a h ILE 132 Ca 0.18 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.65 1p8a h ILE 132 Cb 0.08 0.10 -0.02 0.00 -3.07 0.00 0.00 36.82 33.91 1p8a h ILE 132 CO -0.12 0.00 0.25 -1.28 -0.69 0.00 0.00 178.15 176.30 1p8a h SER 133 N -0.24 0.47 0.34 1.72 0.87 -0.85 -0.64 113.55 115.23 1p8a h SER 133 Ca 0.18 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 1p8a h SER 133 Cb 0.56 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.41 1p8a h SER 133 CO -0.67 0.38 0.00 1.17 -0.53 0.00 0.00 176.83 177.18 1p8a n LYS 134 N -4.78 0.11 0.00 2.24 3.00 -0.09 -1.29 118.16 117.35 1p8a n LYS 134 Ca 0.00 0.47 -0.18 0.00 -0.00 0.00 0.00 58.31 58.60 1p8a n LYS 134 Cb 0.05 -1.77 -0.14 0.00 0.00 0.00 0.00 35.03 33.17 1p8a n LYS 134 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1p8a n GLU 135 N -1.98 0.73 0.00 1.64 1.02 0.18 -3.95 120.64 118.27 1p8a n GLU 135 Ca 0.01 0.28 0.13 0.00 -0.02 0.00 0.00 57.16 57.56 1p8a n GLU 135 Cb 0.12 -1.74 0.38 0.00 -0.02 0.00 0.00 31.44 30.19 1p8a n GLU 135 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 1p8a n MET 136 N -3.37 1.09 -0.08 3.49 2.81 -0.77 -3.21 117.12 117.08 1p8a n MET 136 Ca -0.27 -0.67 -0.16 0.00 -1.81 0.00 0.00 57.70 54.78 1p8a n MET 136 Cb 1.05 -1.49 -0.12 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 1.63 0.00 0.00 0.03 1.57 -1.33 -1.13 116.57 117.34 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 0.53 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.84 1p8a h LYS 137 CO 0.00 0.98 -0.01 -0.35 -0.57 0.00 0.00 179.45 179.50 1p8a n PRO 138 N -4.55 0.17 -0.11 3.15 -0.04 -1.25 -2.94 135.00 129.43 1p8a n PRO 138 Ca -0.18 0.14 -0.23 0.00 -0.04 0.00 0.00 63.50 63.19 1p8a n PRO 138 Cb 0.54 -1.70 -0.08 0.00 -0.04 0.00 0.00 33.50 32.22 1p8a n PRO 138 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1p8a n PHE 139 N -2.00 0.00 1.33 0.54 -0.00 -1.20 -3.93 117.46 112.21 1p8a n PHE 139 Ca 0.06 0.00 0.09 0.00 -0.00 0.00 0.00 57.45 57.61 1p8a n PHE 139 Cb 0.40 -0.81 0.56 0.00 -0.00 0.00 0.00 39.48 39.63 1p8a n PHE 139 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.76 176.65 1p8a n LEU 140 N -3.90 0.00 -0.08 -2.13 7.94 -0.43 -2.38 117.00 116.02 1p8a n LEU 140 Ca -0.44 0.00 -0.12 0.00 -1.11 0.00 0.00 56.01 54.34 1p8a n LEU 140 Cb 0.83 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.74 1p8a n LEU 140 CO 0.05 0.00 -0.75 0.41 -1.11 0.00 0.00 177.39 175.99 1p8a n THR 141 N -0.94 1.37 -0.10 1.96 -1.04 -1.15 -2.14 114.28 112.24 1p8a n THR 141 Ca 0.14 0.05 -0.18 0.00 -2.04 0.00 0.00 64.05 62.02 1p8a n THR 141 Cb 0.07 -2.07 -0.08 0.00 -1.82 0.00 0.00 70.33 66.42 1p8a n THR 141 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1p8a n GLU 142 N -4.18 0.46 -0.59 -2.82 1.02 -1.24 -3.72 120.64 109.57 1p8a n GLU 142 Ca -0.21 0.15 0.45 0.00 -0.02 0.00 0.00 57.16 57.54 1p8a n GLU 142 Cb 0.53 -1.31 0.69 0.00 -0.02 0.00 0.00 31.44 31.33 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 -3.51 0.00 0.00 -0.32 -0.00 -1.00 -4.53 115.22 105.86 1p8a n HIS 143 Ca -0.37 0.00 0.00 0.00 0.46 0.00 0.00 57.72 57.81 1p8a n HIS 143 Cb 0.82 -0.42 0.00 0.00 -0.12 0.00 0.00 29.99 30.28 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 -1.79 0.35 0.00 1.57 0.00 -1.23 -5.06 105.19 99.03 1p8a n GLY 144 Ca 0.37 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1p8a n GLY 144 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1p8a n LEU 145 N 0.00 0.00 0.00 0.99 -0.00 -1.26 -4.67 117.00 112.06 1p8a n LEU 145 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1p8a n LEU 145 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1p8a n LEU 145 CO 0.00 0.00 0.09 -0.38 -0.00 0.00 0.00 177.39 177.10