#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 3.04 0.73 0.00 0.00 -1.26 -4.97 121.76 119.31 1p8a s ALA 2 Ca 0.00 -2.59 0.00 0.00 0.00 0.00 0.00 51.96 49.37 1p8a s ALA 2 Cb 0.00 -4.53 0.00 0.00 0.00 0.00 0.00 23.12 18.59 1p8a s ALA 2 CO 0.00 -3.42 0.00 -0.85 0.00 0.00 0.00 175.76 171.49 1p8a n GLU 3 N 8.41 2.38 0.00 0.00 0.28 -1.26 -5.03 120.64 125.41 1p8a n GLU 3 Ca 0.39 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.39 1p8a n GLU 3 Cb 0.49 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.36 1p8a n GLU 3 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 1p8a n LYS 4 N 0.00 0.00 0.00 3.44 0.00 -1.26 -5.00 118.16 115.34 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 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 1p8a n LYS 4 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 1p8a n LYS 5 N -1.76 0.00 -3.63 -1.58 2.85 -1.26 -3.63 118.16 109.15 1p8a n LYS 5 Ca 0.00 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.13 1p8a n LYS 5 Cb 0.00 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.31 1p8a n LYS 5 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1p8a s ALA 6 N -0.87 -1.79 -0.36 0.58 0.00 -1.26 0.54 121.76 118.60 1p8a s ALA 6 Ca 0.00 2.08 -0.11 0.00 0.00 0.00 0.00 51.96 53.93 1p8a s ALA 6 Cb 0.00 -1.21 0.01 0.00 0.00 0.00 0.00 23.12 21.92 1p8a s ALA 6 CO 0.00 -0.34 0.21 0.14 0.00 0.00 0.00 175.76 175.77 1p8a s VAL 7 N 0.58 4.78 -0.62 0.00 -7.23 -0.42 -0.87 120.40 116.60 1p8a s VAL 7 Ca -0.02 -0.63 -0.26 0.00 -1.81 0.00 0.00 61.98 59.27 1p8a s VAL 7 Cb -0.05 -3.58 -0.10 0.00 0.56 0.00 0.00 36.38 33.21 1p8a s VAL 7 CO -0.02 -0.14 2.42 -0.11 -0.31 0.00 0.00 175.10 176.94 1p8a n LEU 8 N 5.03 2.04 -4.55 1.32 -0.00 0.12 -1.03 117.00 119.93 1p8a n LEU 8 Ca -0.12 -0.90 -0.43 0.00 -0.00 0.00 0.00 56.01 54.56 1p8a n LEU 8 Cb 0.47 -1.60 -0.04 0.00 -0.00 0.00 0.00 43.42 42.25 1p8a n LEU 8 CO 0.36 -1.99 0.73 -0.36 -0.00 0.00 0.00 177.39 176.13 1p8a s PHE 9 N 13.15 2.90 0.25 1.96 0.08 0.21 0.31 117.98 136.83 1p8a s PHE 9 Ca 0.97 0.26 0.01 0.00 0.12 0.00 0.00 56.93 58.29 1p8a s PHE 9 Cb -0.18 -3.96 -0.04 0.00 -0.57 0.00 0.00 43.02 38.27 1p8a s PHE 9 CO 0.20 -1.15 0.14 0.54 -0.10 0.00 0.00 175.22 174.84 1p8a s VAL 10 N 3.75 0.20 -0.42 -0.44 0.11 -0.54 -1.23 120.40 121.83 1p8a s VAL 10 Ca 0.35 -2.00 0.07 0.00 -2.93 0.00 0.00 61.98 57.46 1p8a s VAL 10 Cb -0.11 -2.54 0.33 0.00 -1.53 0.00 0.00 36.38 32.53 1p8a s VAL 10 CO 0.24 0.00 1.23 0.00 -3.33 0.00 0.00 175.10 173.24 1p8a n LEU 12 N -0.03 0.00 -4.44 0.00 7.99 -1.26 -4.13 117.00 115.12 1p8a n LEU 12 Ca -0.01 0.00 -0.14 0.00 -0.01 0.00 0.00 56.01 55.85 1p8a n LEU 12 Cb 0.76 0.00 -0.13 0.00 -0.11 0.00 0.00 43.42 43.94 1p8a n LEU 12 CO -0.03 -0.42 1.50 0.61 -1.51 0.00 0.00 177.39 177.55 1p8a n GLY 13 N 0.00 -0.31 0.00 -0.72 0.00 -1.26 -4.28 105.19 98.62 1p8a n GLY 13 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1p8a n GLY 13 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1p8a n ASN 14 N 11.33 0.44 -2.65 1.61 6.94 -1.26 -4.82 115.26 126.85 1p8a n ASN 14 Ca 0.46 -1.16 -0.20 0.00 -0.02 0.00 0.00 54.58 53.67 1p8a n ASN 14 Cb 0.33 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.76 1p8a n ASN 14 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 1p8a n ILE 15 N -0.08 -1.19 -2.02 1.53 5.41 -1.26 -4.32 119.36 117.42 1p8a n ILE 15 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1p8a n ILE 15 Cb 0.33 -2.79 0.00 0.00 -0.71 0.00 0.00 39.64 36.46 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 1.86 3.41 -0.08 0.00 1.85 -1.26 -4.67 116.66 117.76 1p8a n ARG 17 Ca 0.00 -2.81 -0.12 0.00 -1.00 0.00 0.00 57.85 53.92 1p8a n ARG 17 Cb 0.00 -3.03 -0.05 0.00 -1.05 0.00 0.00 32.46 28.34 1p8a n ARG 17 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 1p8a h SER 18 N 5.56 0.52 0.21 2.89 0.87 -1.89 -1.96 113.55 119.76 1p8a h SER 18 Ca 0.62 -0.40 0.00 0.00 -1.23 0.00 0.00 61.79 60.77 1p8a h SER 18 Cb 0.52 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.33 1p8a h SER 18 CO 1.77 0.81 0.00 -0.81 -0.53 0.00 0.00 176.83 178.07 1p8a n PRO 19 N -4.50 0.51 -0.05 2.24 -0.04 -1.26 -1.64 135.00 130.26 1p8a n PRO 19 Ca -0.04 0.04 -0.06 0.00 -0.04 0.00 0.00 63.50 63.40 1p8a n PRO 19 Cb 0.34 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.28 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 -1.15 1.00 -0.03 0.55 0.00 -1.04 -3.95 120.51 115.90 1p8a n ALA 20 Ca 0.14 -0.59 -0.15 0.00 0.00 0.00 0.00 53.44 52.83 1p8a n ALA 20 Cb 0.13 0.05 -0.12 0.00 0.00 0.00 0.00 19.45 19.51 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 -0.62 0.46 0.23 0.00 4.81 -1.45 -0.66 114.58 117.35 1p8a h GLU 22 Ca -0.03 -0.14 -0.01 0.00 -0.13 0.00 0.00 59.36 59.06 1p8a h GLU 22 Cb 0.99 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.32 1p8a h GLU 22 CO 0.04 0.61 -0.11 0.78 -0.73 0.00 0.00 179.01 179.59 1p8a h GLY 23 N 0.93 -0.32 0.43 1.92 0.00 -1.50 0.12 103.07 104.65 1p8a h GLY 23 Ca 0.08 0.12 0.13 0.00 0.00 0.00 0.00 47.33 47.65 1p8a h GLY 23 CO 0.03 -0.12 0.60 1.19 0.00 0.00 0.00 176.54 178.25 1p8a h ILE 24 N -0.99 0.89 0.07 2.60 6.09 -1.14 -0.35 117.51 124.67 1p8a h ILE 24 Ca -0.03 -0.32 -0.00 0.00 -1.37 0.00 0.00 64.86 63.14 1p8a h ILE 24 Cb 0.43 -0.13 0.00 0.00 0.47 0.00 0.00 36.82 37.60 1p8a h ILE 24 CO 0.05 0.17 -0.03 0.00 -3.07 0.00 0.00 178.15 175.27 1p8a h ARG 26 N -0.32 0.04 0.12 0.00 0.11 -0.72 0.84 114.38 114.46 1p8a h ARG 26 Ca -0.01 -0.00 -0.32 0.00 0.10 0.00 0.00 59.98 59.75 1p8a h ARG 26 Cb 0.07 -0.01 -0.01 0.00 1.11 0.00 0.00 29.97 31.13 1p8a h ARG 26 CO 0.02 0.03 -1.60 0.22 0.10 0.00 0.00 179.97 178.73 1p8a h ASP 27 N 0.04 0.40 0.01 0.08 1.82 -1.11 1.26 116.42 118.92 1p8a h ASP 27 Ca 0.84 -0.59 0.00 0.00 -0.39 0.00 0.00 57.03 56.89 1p8a h ASP 27 Cb 2.96 -0.13 0.00 0.00 0.68 0.00 0.00 39.33 42.84 1p8a h ASP 27 CO -0.26 1.50 -0.00 0.80 -1.61 0.00 0.00 179.24 179.67 1p8a n MET 28 N -3.45 1.26 0.00 0.28 1.56 0.24 -4.26 117.12 112.75 1p8a n MET 28 Ca -0.19 -0.40 0.00 0.00 -0.27 0.00 0.00 57.70 56.84 1p8a n MET 28 Cb 1.05 -1.49 0.00 0.00 2.15 0.00 0.00 33.22 34.93 1p8a n MET 28 CO 0.00 0.00 0.00 0.28 -0.73 0.00 0.00 175.97 175.52 1p8a n VAL 29 N -0.52 0.00 0.00 1.12 0.31 0.18 -5.01 118.33 114.41 1p8a n VAL 29 Ca 0.22 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.55 1p8a n VAL 29 Cb 0.22 -0.53 0.00 0.00 -0.91 0.00 0.00 33.84 32.62 1p8a n VAL 29 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1p8a n GLY 30 N 2.39 0.29 3.31 2.92 0.00 0.68 -4.93 105.19 109.85 1p8a n GLY 30 Ca 0.00 -0.56 -0.25 0.00 0.00 0.00 0.00 46.02 45.21 1p8a n GLY 30 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1p8a n ASP 31 N 0.00 -6.34 0.00 1.61 8.00 0.40 -4.98 116.55 115.23 1p8a n ASP 31 Ca 0.00 -0.05 0.00 0.00 0.71 0.00 0.00 54.79 55.45 1p8a n ASP 31 Cb 0.00 -3.07 0.00 0.00 -0.02 0.00 0.00 41.12 38.03 1p8a n ASP 31 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1p8a n LYS 32 N -0.66 1.37 0.00 -1.24 4.76 -1.26 -5.00 118.16 116.13 1p8a n LYS 32 Ca -0.05 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.39 1p8a n LYS 32 Cb 0.60 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.79 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 -0.88 -0.35 4.77 -1.26 -4.83 117.00 114.45 1p8a n LEU 33 Ca 0.00 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.96 1p8a n LEU 33 Cb 0.00 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 1p8a n LEU 33 CO 0.00 0.00 -0.01 2.30 -1.33 0.00 0.00 177.39 178.35 1p8a n ILE 34 N 0.00 0.00 -3.62 -0.08 -6.64 0.19 -4.79 119.36 104.42 1p8a n ILE 34 Ca 0.00 0.00 -0.15 0.00 -1.77 0.00 0.00 62.75 60.83 1p8a n ILE 34 Cb 0.00 -0.16 -0.07 0.00 -1.44 0.00 0.00 39.64 37.96 1p8a n ILE 34 CO 0.00 0.00 0.00 -0.63 -1.77 0.00 0.00 176.55 174.15 1p8a s ILE 35 N -0.98 0.00 -0.25 7.28 1.01 -1.26 -1.31 121.20 125.70 1p8a s ILE 35 Ca 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 60.65 60.59 1p8a s ILE 35 Cb 0.00 -0.91 0.12 0.00 0.01 0.00 0.00 42.46 41.68 1p8a s ILE 35 CO 0.00 -0.02 0.27 -1.81 0.00 0.00 0.00 174.94 173.38 1p8a s ASP 36 N -0.30 1.48 0.04 3.58 1.01 -0.20 -4.62 116.67 117.66 1p8a s ASP 36 Ca -0.05 -0.46 -0.30 0.00 0.71 0.00 0.00 52.55 52.44 1p8a s ASP 36 Cb -0.03 0.49 -0.07 0.00 1.01 0.00 0.00 42.92 44.32 1p8a s ASP 36 CO 0.04 -0.36 1.48 -0.94 0.21 0.00 0.00 175.17 175.60 1p8a s SER 37 N 2.36 6.77 0.00 0.27 1.04 -1.25 0.68 113.70 123.56 1p8a s SER 37 Ca 0.09 2.26 0.00 0.00 0.48 0.00 0.00 55.95 58.77 1p8a s SER 37 Cb -0.15 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.41 1p8a s SER 37 CO -0.23 -0.76 0.00 0.00 0.98 0.00 0.00 173.24 173.22 1p8a n ALA 38 N 5.26 0.00 -2.78 5.32 0.00 -0.37 -4.66 120.51 123.28 1p8a n ALA 38 Ca 0.14 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.59 1p8a n ALA 38 Cb 0.42 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.88 1p8a n ALA 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1p8a s ALA 39 N -2.00 -4.32 -0.98 0.00 0.00 -1.26 -2.94 121.76 110.26 1p8a s ALA 39 Ca 0.00 1.11 -0.24 0.00 0.00 0.00 0.00 51.96 52.83 1p8a s ALA 39 Cb 0.00 -2.99 -0.04 0.00 0.00 0.00 0.00 23.12 20.09 1p8a s ALA 39 CO 0.00 -2.48 1.88 0.99 0.00 0.00 0.00 175.76 176.15 1p8a s THR 40 N 1.81 3.54 0.04 0.00 2.01 -1.26 -4.02 115.64 117.75 1p8a s THR 40 Ca 0.16 -0.56 0.00 0.00 0.31 0.00 0.00 61.69 61.60 1p8a s THR 40 Cb 0.04 -4.27 0.00 0.00 0.01 0.00 0.00 72.50 68.28 1p8a s THR 40 CO -0.14 -1.11 0.00 -1.54 -0.69 0.00 0.00 174.62 171.15 1p8a n SER 41 N 13.27 -0.33 -1.92 3.53 3.41 -1.26 -4.40 113.62 125.92 1p8a n SER 41 Ca 0.40 0.07 -0.07 0.00 -0.26 0.00 0.00 58.87 59.01 1p8a n SER 41 Cb 0.47 0.76 0.03 0.00 -0.26 0.00 0.00 64.21 65.21 1p8a n SER 41 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1p8a n GLY 42 N -1.44 0.16 1.41 5.00 0.00 -1.26 -4.93 105.19 104.13 1p8a n GLY 42 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.43 -0.40 -1.31 1.61 3.72 -1.26 -4.89 117.46 112.51 1p8a n PHE 43 Ca -0.10 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.03 1p8a n PHE 43 Cb 0.56 0.35 0.02 0.00 -0.94 0.00 0.00 39.48 39.48 1p8a n PHE 43 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 1p8a n HIS 44 N -2.21 2.20 -4.24 1.38 8.25 -1.26 -4.93 115.22 114.41 1p8a n HIS 44 Ca 0.00 -2.29 -0.26 0.00 -0.26 0.00 0.00 57.72 54.92 1p8a n HIS 44 Cb 0.00 -1.23 -0.08 0.00 1.12 0.00 0.00 29.99 29.80 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 -3.33 3.59 -1.45 1.59 1.01 -1.26 -4.35 120.40 116.20 1p8a s VAL 45 Ca 0.50 -1.58 0.00 0.00 0.00 0.00 0.00 61.98 60.90 1p8a s VAL 45 Cb 0.38 -2.83 0.00 0.00 0.00 0.00 0.00 36.38 33.92 1p8a s VAL 45 CO -0.12 -0.18 0.00 0.61 0.00 0.00 0.00 175.10 175.41 1p8a n GLY 46 N -0.30 0.07 0.00 4.51 0.00 -1.26 -4.87 105.19 103.33 1p8a n GLY 46 Ca -0.09 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.55 0.00 -2.35 1.61 10.64 -1.26 -5.12 117.38 118.35 1p8a n GLN 47 Ca -0.19 0.00 -0.01 0.00 -1.83 0.00 0.00 57.00 54.97 1p8a n GLN 47 Cb 0.62 0.00 -0.01 0.00 -0.86 0.00 0.00 30.24 29.99 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 -7.51 -4.55 2.61 2.88 -1.26 -4.75 113.62 101.04 1p8a n SER 48 Ca 0.00 1.70 -0.38 0.00 -1.33 0.00 0.00 58.87 58.86 1p8a n SER 48 Cb 0.00 -5.07 -0.03 0.00 -0.75 0.00 0.00 64.21 58.36 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 -0.68 2.61 -0.21 -1.46 0.04 -1.26 -4.83 135.00 129.21 1p8a s PRO 49 Ca -0.06 0.59 0.03 0.00 0.04 0.00 0.00 61.00 61.61 1p8a s PRO 49 Cb 0.00 -4.42 0.37 0.00 0.04 0.00 0.00 34.50 30.50 1p8a s PRO 49 CO 0.15 -2.77 1.41 -0.25 0.04 0.00 0.00 177.00 175.58 1p8a n ASP 50 N 12.88 3.42 0.14 6.66 9.92 -1.26 -4.15 116.55 144.15 1p8a n ASP 50 Ca 0.21 -2.77 0.01 0.00 -0.53 0.00 0.00 54.79 51.71 1p8a n ASP 50 Cb 0.52 -0.66 0.15 0.00 -0.64 0.00 0.00 41.12 40.49 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 0.88 1.21 0.05 -3.53 2.02 -1.98 -1.26 112.91 110.31 1p8a h THR 51 Ca 0.26 -2.18 -0.00 0.00 0.77 0.00 0.00 66.41 65.26 1p8a h THR 51 Cb 1.83 2.25 0.00 0.00 -1.74 0.00 0.00 68.15 70.49 1p8a h THR 51 CO 0.51 0.58 -0.02 0.03 0.37 0.00 0.00 175.52 176.98 1p8a h ARG 52 N 0.00 -0.06 0.08 6.66 2.47 -1.98 0.11 114.38 121.65 1p8a h ARG 52 Ca -0.01 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.71 1p8a h ARG 52 Cb 1.20 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.54 1p8a h ARG 52 CO 0.08 0.54 -0.04 0.66 0.56 0.00 0.00 179.97 181.77 1p8a h SER 53 N -0.74 -0.09 -0.86 7.04 4.64 -1.85 -0.92 113.55 120.78 1p8a h SER 53 Ca -0.01 -0.12 -0.02 0.00 -0.47 0.00 0.00 61.79 61.18 1p8a h SER 53 Cb 0.63 0.02 -0.04 0.00 -0.31 0.00 0.00 62.40 62.70 1p8a h SER 53 CO 0.01 0.07 0.48 -0.61 -0.87 0.00 0.00 176.83 175.91 1p8a h GLN 54 N -0.24 1.20 0.00 4.77 4.15 -1.32 0.22 115.11 123.88 1p8a h GLN 54 Ca -0.01 -0.13 0.00 0.00 0.77 0.00 0.00 58.65 59.28 1p8a h GLN 54 Cb 0.20 -0.24 0.00 0.00 0.21 0.00 0.00 27.48 27.65 1p8a h GLN 54 CO 0.02 0.87 0.00 1.17 -1.93 0.00 0.00 178.83 178.96 1p8a n LYS 55 N -4.34 0.00 -0.30 1.69 3.00 0.39 -1.29 118.16 117.31 1p8a n LYS 55 Ca 0.09 0.51 0.29 0.00 -0.00 0.00 0.00 58.31 59.21 1p8a n LYS 55 Cb 0.09 -1.49 0.65 0.00 0.00 0.00 0.00 35.03 34.28 1p8a n LYS 55 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.40 177.01 1p8a h VAL 56 N 0.00 0.47 0.15 3.15 -1.51 -1.16 0.19 116.25 117.54 1p8a h VAL 56 Ca 0.00 -0.06 0.00 0.00 -1.23 0.00 0.00 66.70 65.42 1p8a h VAL 56 Cb 0.00 0.29 -0.01 0.00 -2.13 0.00 0.00 31.29 29.44 1p8a h VAL 56 CO 0.00 0.03 -0.14 0.00 -1.23 0.00 0.00 177.57 176.23 1p8a h LYS 58 N -0.31 0.00 0.00 0.00 1.57 0.65 1.05 116.57 119.53 1p8a h LYS 58 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1p8a h LYS 58 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.60 1p8a h LYS 58 CO -0.03 0.20 -0.32 0.45 -0.57 0.00 0.00 179.45 179.18 1p8a n SER 59 N -3.49 0.37 -0.03 0.86 2.88 -0.15 -4.06 113.62 110.01 1p8a n SER 59 Ca -0.01 0.08 -0.03 0.00 -1.33 0.00 0.00 58.87 57.59 1p8a n SER 59 Cb 0.37 -0.06 -0.04 0.00 -0.75 0.00 0.00 64.21 63.73 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 -1.60 3.68 0.00 -3.46 4.13 0.22 -5.03 115.26 113.18 1p8a n ASN 60 Ca 0.06 -0.01 0.00 0.00 1.68 0.00 0.00 54.58 56.31 1p8a n ASN 60 Cb 0.35 0.46 0.00 0.00 -1.54 0.00 0.00 39.78 39.05 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 2.80 0.67 3.63 7.41 0.00 0.35 -5.06 105.19 114.99 1p8a n GLY 61 Ca -0.09 0.02 -0.12 0.00 0.00 0.00 0.00 46.02 45.82 1p8a n GLY 61 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1p8a s VAL 62 N 0.00 0.00 -0.62 1.61 1.01 -0.28 -4.43 120.40 117.69 1p8a s VAL 62 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 61.98 61.86 1p8a s VAL 62 Cb 0.00 -1.00 0.16 0.00 0.00 0.00 0.00 36.38 35.54 1p8a s VAL 62 CO 0.00 0.00 0.54 -1.81 0.00 0.00 0.00 175.10 173.83 1p8a s ASP 63 N 0.55 6.14 0.05 3.32 1.11 -1.26 -4.24 116.67 122.34 1p8a s ASP 63 Ca -0.01 -2.21 0.01 0.00 0.18 0.00 0.00 52.55 50.51 1p8a s ASP 63 Cb -0.05 -2.12 -0.00 0.00 1.07 0.00 0.00 42.92 41.82 1p8a s ASP 63 CO -0.03 -0.68 0.03 2.30 1.18 0.00 0.00 175.17 177.97 1p8a n ILE 64 N 4.58 0.00 0.00 0.77 -5.35 -1.26 -4.72 119.36 113.38 1p8a n ILE 64 Ca -0.02 -0.31 0.00 0.00 -0.27 0.00 0.00 62.75 62.15 1p8a n ILE 64 Cb 0.42 0.15 0.00 0.00 -1.74 0.00 0.00 39.64 38.47 1p8a n ILE 64 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1p8a n SER 65 N -2.61 0.00 -3.63 7.28 3.41 -1.26 -5.10 113.62 111.71 1p8a n SER 65 Ca 0.01 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.52 1p8a n SER 65 Cb 0.08 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.96 1p8a n SER 65 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1p8a s LYS 66 N -1.01 0.51 -0.29 4.33 0.00 -1.26 -5.17 119.74 116.85 1p8a s LYS 66 Ca 0.00 0.56 -0.19 0.00 0.00 0.00 0.00 55.97 56.33 1p8a s LYS 66 Cb 0.00 0.25 0.16 0.00 0.00 0.00 0.00 37.83 38.24 1p8a s LYS 66 CO 0.00 -0.07 1.12 1.14 0.00 0.00 0.00 175.35 177.54 1p8a s GLN 67 N 0.11 0.28 0.00 1.78 0.00 -1.26 -5.14 119.66 115.44 1p8a s GLN 67 Ca 0.03 0.43 0.00 0.00 -0.00 0.00 0.00 55.36 55.81 1p8a s GLN 67 Cb -0.05 0.09 0.00 0.00 0.00 0.00 0.00 33.01 33.05 1p8a s GLN 67 CO -0.06 -0.05 0.00 0.54 0.00 0.00 0.00 175.29 175.73 1p8a n ARG 68 N 2.94 3.52 -3.64 9.60 1.74 -1.26 -5.08 116.66 124.48 1p8a n ARG 68 Ca -0.16 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.78 1p8a n ARG 68 Cb 0.57 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.94 1p8a n ARG 68 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1p8a s ALA 69 N -3.53 -1.15 0.00 7.54 0.00 -1.26 -4.86 121.76 118.50 1p8a s ALA 69 Ca 0.00 0.52 0.00 0.00 0.00 0.00 0.00 51.96 52.48 1p8a s ALA 69 Cb 0.00 0.26 0.00 0.00 0.00 0.00 0.00 23.12 23.38 1p8a s ALA 69 CO 0.00 -0.42 0.00 2.89 0.00 0.00 0.00 175.76 178.23 1p8a n ARG 70 N 0.68 0.00 -4.19 0.00 1.85 -1.26 -4.58 116.66 109.16 1p8a n ARG 70 Ca -0.19 0.00 -0.11 0.00 -1.00 0.00 0.00 57.85 56.55 1p8a n ARG 70 Cb 0.59 0.00 -0.10 0.00 -1.05 0.00 0.00 32.46 31.90 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 2.49 0.94 0.00 2.89 0.74 -1.26 -4.32 119.66 121.14 1p8a s GLN 71 Ca 0.00 -1.42 0.00 0.00 0.05 0.00 0.00 55.36 53.99 1p8a s GLN 71 Cb 0.00 -0.16 0.00 0.00 1.10 0.00 0.00 33.01 33.95 1p8a s GLN 71 CO 0.00 -0.09 0.13 -0.89 -0.55 0.00 0.00 175.29 173.88 1p8a n ILE 72 N -0.12 0.00 -4.71 -2.34 5.41 -1.26 -4.80 119.36 111.54 1p8a n ILE 72 Ca -0.09 0.51 0.00 0.00 1.00 0.00 0.00 62.75 64.16 1p8a n ILE 72 Cb 0.62 -1.27 0.00 0.00 -0.71 0.00 0.00 39.64 38.28 1p8a n ILE 72 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 1p8a n THR 73 N -1.59 0.00 0.54 1.39 -1.04 -1.26 -2.93 114.28 109.39 1p8a n THR 73 Ca 0.00 0.00 0.10 0.00 -2.04 0.00 0.00 64.05 62.11 1p8a n THR 73 Cb 0.00 0.00 -0.14 0.00 -1.82 0.00 0.00 70.33 68.37 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 5.91 0.36 -0.09 -2.82 5.02 -1.26 -4.39 118.16 120.90 1p8a n LYS 74 Ca 0.00 -0.09 -0.12 0.00 -2.02 0.00 0.00 58.31 56.08 1p8a n LYS 74 Cb 0.00 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.47 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 2.51 0.37 -0.55 7.82 0.00 -1.94 -3.15 119.26 124.31 1p8a h ALA 75 Ca 0.00 -0.32 0.09 0.00 0.00 0.00 0.00 54.91 54.68 1p8a h ALA 75 Cb 0.71 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.34 1p8a h ALA 75 CO 0.00 0.25 0.15 -0.44 0.00 0.00 0.00 179.25 179.22 1p8a h ASP 76 N 0.28 0.09 0.00 0.00 5.19 -1.73 -2.77 116.42 117.47 1p8a h ASP 76 Ca 0.05 0.09 -0.26 0.00 -0.62 0.00 0.00 57.03 56.29 1p8a h ASP 76 Cb 0.66 0.10 0.01 0.00 0.18 0.00 0.00 39.33 40.29 1p8a h ASP 76 CO 0.04 0.07 2.04 0.49 -3.12 0.00 0.00 179.24 178.76 1p8a n PHE 77 N -5.07 0.90 0.00 4.55 3.72 -1.19 -1.99 117.46 118.38 1p8a n PHE 77 Ca 0.07 -1.44 0.00 0.00 -0.05 0.00 0.00 57.45 56.03 1p8a n PHE 77 Cb 0.26 -1.29 0.00 0.00 -0.94 0.00 0.00 39.48 37.51 1p8a n PHE 77 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1p8a n SER 78 N 4.68 0.00 0.00 4.37 3.41 -1.13 -4.93 113.62 120.02 1p8a n SER 78 Ca 0.30 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 59.01 1p8a n SER 78 Cb 0.10 0.00 0.61 0.00 -0.26 0.00 0.00 64.21 64.66 1p8a n SER 78 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1p8a n LYS 79 N 0.00 0.59 0.00 4.33 3.00 -0.84 -4.84 118.16 120.40 1p8a n LYS 79 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 58.31 58.33 1p8a n LYS 79 Cb 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 33.53 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 -1.07 0.00 0.00 5.64 3.72 -1.26 -4.94 117.46 119.55 1p8a n PHE 80 Ca 0.15 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.55 1p8a n PHE 80 Cb 0.09 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.63 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 0.90 -4.19 4.37 -0.08 -1.20 -4.83 116.55 111.52 1p8a n ASP 81 Ca 0.00 -0.15 -0.13 0.00 -1.51 0.00 0.00 54.79 53.00 1p8a n ASP 81 Cb 0.00 0.49 -0.10 0.00 2.34 0.00 0.00 41.12 43.84 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 -0.67 0.90 -0.15 5.18 1.01 -0.05 -0.12 120.40 126.49 1p8a s VAL 82 Ca 0.00 -1.80 -0.04 0.00 0.00 0.00 0.00 61.98 60.14 1p8a s VAL 82 Cb 0.00 -1.54 0.07 0.00 0.00 0.00 0.00 36.38 34.92 1p8a s VAL 82 CO 0.00 -0.69 0.23 -0.63 0.00 0.00 0.00 175.10 174.00 1p8a s ILE 83 N -2.97 -0.35 -0.15 2.22 1.09 0.12 0.10 121.20 121.26 1p8a s ILE 83 Ca 0.09 0.14 -0.05 0.00 -1.10 0.00 0.00 60.65 59.73 1p8a s ILE 83 Cb 0.01 -0.51 -0.03 0.00 -1.06 0.00 0.00 42.46 40.86 1p8a s ILE 83 CO -0.01 -0.01 0.02 0.00 -0.10 0.00 0.00 174.94 174.84 1p8a s ALA 84 N 2.36 3.25 -0.20 9.38 0.00 0.15 -0.02 121.76 136.67 1p8a s ALA 84 Ca 0.04 -0.78 -0.05 0.00 0.00 0.00 0.00 51.96 51.17 1p8a s ALA 84 Cb -0.14 -1.71 -0.02 0.00 0.00 0.00 0.00 23.12 21.25 1p8a s ALA 84 CO -0.09 0.28 0.00 0.00 0.00 0.00 0.00 175.76 175.95 1p8a s ALA 85 N 0.10 3.04 0.00 0.00 0.00 -0.33 -1.47 121.76 123.10 1p8a s ALA 85 Ca 0.02 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 51.00 1p8a s ALA 85 Cb -0.13 -1.77 0.00 0.00 0.00 0.00 0.00 23.12 21.22 1p8a s ALA 85 CO 0.02 -0.13 0.01 1.28 0.00 0.00 0.00 175.76 176.93 1p8a n LEU 86 N 4.22 0.00 0.00 0.00 4.32 0.55 -0.93 117.00 125.16 1p8a n LEU 86 Ca -0.17 0.01 -0.17 0.00 -0.02 0.00 0.00 56.01 55.65 1p8a n LEU 86 Cb 0.52 0.00 0.15 0.00 -1.62 0.00 0.00 43.42 42.47 1p8a n LEU 86 CO 0.32 0.00 0.32 0.47 -1.22 0.00 0.00 177.39 177.27 1p8a n ASP 87 N -0.01 -1.97 0.03 -1.43 8.00 -1.26 -3.78 116.55 116.14 1p8a n ASP 87 Ca 0.00 -0.80 -0.21 0.00 0.71 0.00 0.00 54.79 54.48 1p8a n ASP 87 Cb 0.00 -0.57 -0.14 0.00 -0.02 0.00 0.00 41.12 40.38 1p8a n ASP 87 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 1p8a h GLN 88 N 0.00 0.29 -0.74 -1.24 4.20 -1.96 -3.34 115.11 112.31 1p8a h GLN 88 Ca -0.23 -0.49 0.10 0.00 0.06 0.00 0.00 58.65 58.09 1p8a h GLN 88 Cb 0.73 0.18 -0.12 0.00 0.30 0.00 0.00 27.48 28.57 1p8a h GLN 88 CO 0.15 1.23 -0.45 1.03 -0.67 0.00 0.00 178.83 180.13 1p8a h SER 89 N -0.26 -1.58 -0.94 1.46 0.87 -1.98 0.67 113.55 111.78 1p8a h SER 89 Ca -0.27 0.27 0.20 0.00 -1.23 0.00 0.00 61.79 60.77 1p8a h SER 89 Cb 1.79 0.74 -0.11 0.00 -0.44 0.00 0.00 62.40 64.37 1p8a h SER 89 CO 0.10 -0.31 0.52 -0.29 -0.53 0.00 0.00 176.83 176.32 1p8a h ILE 90 N -0.14 0.60 -0.27 2.23 2.10 -1.96 0.69 117.51 120.77 1p8a h ILE 90 Ca 0.22 -0.20 -0.16 0.00 1.08 0.00 0.00 64.86 65.79 1p8a h ILE 90 Cb 0.55 -0.04 0.00 0.00 -1.09 0.00 0.00 36.82 36.24 1p8a h ILE 90 CO -0.80 0.11 -0.47 0.25 -1.08 0.00 0.00 178.15 176.16 1p8a h LEU 91 N 0.59 0.88 -1.02 2.19 5.85 0.01 0.38 115.31 124.20 1p8a h LEU 91 Ca 0.57 -0.53 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 1p8a h LEU 91 Cb 0.98 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.73 1p8a h LEU 91 CO -0.44 1.24 0.26 -1.28 -0.34 0.00 0.00 178.44 177.89 1p8a h SER 92 N 0.55 0.88 0.00 1.25 0.87 0.15 -2.00 113.55 115.25 1p8a h SER 92 Ca 0.02 -0.12 -0.06 0.00 -1.23 0.00 0.00 61.79 60.40 1p8a h SER 92 Cb 1.08 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.80 1p8a h SER 92 CO 0.11 0.79 -0.46 0.44 -0.53 0.00 0.00 176.83 177.17 1p8a h ASP 93 N 0.95 0.00 -0.93 6.23 3.32 -0.91 -3.18 116.42 121.89 1p8a h ASP 93 Ca 0.22 -0.31 0.27 0.00 0.02 0.00 0.00 57.03 57.24 1p8a h ASP 93 Cb 0.18 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 39.58 1p8a h ASP 93 CO -0.02 0.91 0.36 -0.29 -1.72 0.00 0.00 179.24 178.48 1p8a h ILE 94 N -1.00 0.29 0.00 0.35 2.10 -0.29 2.15 117.51 121.11 1p8a h ILE 94 Ca -0.08 -0.08 0.00 0.00 1.08 0.00 0.00 64.86 65.77 1p8a h ILE 94 Cb 0.66 0.03 0.00 0.00 -1.09 0.00 0.00 36.82 36.42 1p8a h ILE 94 CO -0.05 0.04 0.00 -3.20 -1.08 0.00 0.00 178.15 173.86 1p8a n ASN 95 N -5.17 0.28 -0.97 2.19 5.15 -0.75 -2.10 115.26 113.89 1p8a n ASN 95 Ca 0.26 0.54 0.11 0.00 -0.60 0.00 0.00 54.58 54.89 1p8a n ASN 95 Cb 0.81 -0.61 0.27 0.00 -0.53 0.00 0.00 39.78 39.72 1p8a n ASN 95 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1p8a n SER 96 N -1.78 2.87 0.00 1.20 2.88 0.72 -4.32 113.62 115.18 1p8a n SER 96 Ca 0.05 -1.93 0.00 0.00 -1.33 0.00 0.00 58.87 55.66 1p8a n SER 96 Cb 0.29 -0.26 0.00 0.00 -0.75 0.00 0.00 64.21 63.50 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 1.09 1.72 -1.29 -1.46 0.00 -0.94 -5.05 117.12 111.19 1p8a n MET 97 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 57.70 57.50 1p8a n MET 97 Cb 0.49 -0.78 0.02 0.00 0.00 0.00 0.00 33.22 32.96 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 -1.50 0.13 0.00 3.17 5.02 -0.89 -4.95 118.16 119.13 1p8a n LYS 98 Ca 0.00 0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 1p8a n LYS 98 Cb 0.28 -1.20 0.00 0.00 -0.02 0.00 0.00 35.03 34.09 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 1.09 0.57 -1.07 1.97 -0.04 -1.26 -5.01 135.00 131.25 1p8a n PRO 99 Ca 0.08 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.59 1p8a n PRO 99 Cb 0.48 0.00 0.09 0.00 -0.04 0.00 0.00 33.50 34.03 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 -0.77 1.25 -3.12 3.54 2.88 -1.26 -4.93 113.62 111.21 1p8a n SER 100 Ca 0.00 -2.73 -0.17 0.00 -1.33 0.00 0.00 58.87 54.64 1p8a n SER 100 Cb 0.00 -0.38 -0.05 0.00 -0.75 0.00 0.00 64.21 63.03 1p8a n SER 100 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 1p8a s ASN 101 N -2.42 0.16 0.17 -3.46 3.84 -1.26 -5.13 114.94 106.84 1p8a s ASN 101 Ca 0.33 -2.47 -0.04 0.00 0.21 0.00 0.00 52.86 50.90 1p8a s ASN 101 Cb 0.36 0.59 0.02 0.00 -0.55 0.00 0.00 41.25 41.67 1p8a s ASN 101 CO -0.12 -0.12 0.29 0.00 -2.79 0.00 0.00 177.10 174.37 1p8a n ARG 103 N -0.24 1.24 -4.63 0.00 0.00 -1.26 -5.10 116.66 106.66 1p8a n ARG 103 Ca -0.02 -3.30 -0.32 0.00 -0.00 0.00 0.00 57.85 54.21 1p8a n ARG 103 Cb 0.26 -1.30 -0.07 0.00 -0.00 0.00 0.00 32.46 31.36 1p8a n ARG 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1p8a s ALA 104 N -3.20 4.19 -0.02 2.89 0.00 -1.26 -4.91 121.76 119.45 1p8a s ALA 104 Ca 0.27 -0.46 0.03 0.00 0.00 0.00 0.00 51.96 51.80 1p8a s ALA 104 Cb 0.44 -0.09 -0.00 0.00 0.00 0.00 0.00 23.12 23.47 1p8a s ALA 104 CO 0.03 -0.08 -0.10 0.21 0.00 0.00 0.00 175.76 175.82 1p8a s LYS 105 N -3.94 0.95 -0.13 0.00 2.36 0.82 -4.96 119.74 114.83 1p8a s LYS 105 Ca 0.09 -0.35 -0.01 0.00 -2.55 0.00 0.00 55.97 53.16 1p8a s LYS 105 Cb 0.01 -0.89 -0.02 0.00 -1.05 0.00 0.00 37.83 35.88 1p8a s LYS 105 CO 0.05 0.17 -0.11 0.08 1.55 0.00 0.00 175.35 177.09 1p8a s VAL 106 N 0.00 3.29 0.32 4.02 1.01 -1.26 0.10 120.40 127.89 1p8a s VAL 106 Ca -0.00 -0.58 0.03 0.00 0.00 0.00 0.00 61.98 61.43 1p8a s VAL 106 Cb -0.07 -2.39 -0.05 0.00 0.00 0.00 0.00 36.38 33.86 1p8a s VAL 106 CO 0.00 0.52 0.08 0.54 0.00 0.00 0.00 175.10 176.24 1p8a s VAL 107 N 0.30 0.95 0.18 2.92 0.11 0.97 -4.93 120.40 120.91 1p8a s VAL 107 Ca -0.08 -2.00 0.05 0.00 -2.93 0.00 0.00 61.98 57.02 1p8a s VAL 107 Cb -0.15 -2.69 -0.04 0.00 -1.53 0.00 0.00 36.38 31.97 1p8a s VAL 107 CO 0.05 0.00 0.15 -0.22 -3.33 0.00 0.00 175.10 171.75 1p8a s LEU 108 N -3.47 3.81 -0.25 2.54 2.96 -1.26 -1.18 118.68 121.82 1p8a s LEU 108 Ca 0.35 -0.16 -0.02 0.00 -0.22 0.00 0.00 54.13 54.08 1p8a s LEU 108 Cb 0.08 -2.40 0.13 0.00 0.50 0.00 0.00 46.19 44.49 1p8a s LEU 108 CO 0.15 0.04 0.33 0.12 -1.32 0.00 0.00 176.35 175.68 1p8a s PHE 109 N -1.84 -0.67 -0.30 5.38 5.36 -0.11 -4.78 117.98 121.02 1p8a s PHE 109 Ca 0.31 0.45 -0.10 0.00 -0.96 0.00 0.00 56.93 56.64 1p8a s PHE 109 Cb -0.10 -0.17 0.18 0.00 -0.34 0.00 0.00 43.02 42.60 1p8a s PHE 109 CO 0.24 -0.77 0.96 -0.80 -1.46 0.00 0.00 175.22 173.39 1p8a s ASN 110 N 2.47 -0.65 1.05 6.13 -0.87 -1.26 -4.04 114.94 117.77 1p8a s ASN 110 Ca 0.10 0.29 -0.16 0.00 -1.57 0.00 0.00 52.86 51.53 1p8a s ASN 110 Cb -0.15 1.50 0.22 0.00 -0.02 0.00 0.00 41.25 42.80 1p8a s ASN 110 CO -0.20 -0.12 1.19 -2.16 -2.57 0.00 0.00 177.10 173.24 1p8a s PRO 111 N 2.93 0.01 -0.40 -0.60 0.04 -1.26 -4.85 135.00 130.87 1p8a s PRO 111 Ca 0.09 -0.09 -0.04 0.00 0.04 0.00 0.00 61.00 61.00 1p8a s PRO 111 Cb -0.09 -1.74 -0.11 0.00 0.04 0.00 0.00 34.50 32.60 1p8a s PRO 111 CO -0.16 -2.89 2.23 -0.35 0.04 0.00 0.00 177.00 175.87 1p8a n PRO 112 N -4.17 1.57 0.00 0.56 -0.04 -1.26 -3.07 135.00 128.59 1p8a n PRO 112 Ca 0.12 -0.96 0.00 0.00 -0.04 0.00 0.00 63.50 62.62 1p8a n PRO 112 Cb 0.59 -2.07 0.00 0.00 -0.04 0.00 0.00 33.50 31.98 1p8a n PRO 112 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1p8a n ASN 113 N 3.33 0.00 0.00 3.54 4.05 -1.26 -5.16 115.26 119.76 1p8a n ASN 113 Ca 0.34 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.37 1p8a n ASN 113 Cb 0.36 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.37 1p8a n ASN 113 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1p8a n GLY 114 N -0.84 2.77 0.00 8.20 0.00 -1.17 -5.02 105.19 109.13 1p8a n GLY 114 Ca 0.00 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.61 1p8a n GLY 114 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1p8a n VAL 115 N 1.44 0.00 -1.68 1.61 0.31 -1.26 -4.64 118.33 114.10 1p8a n VAL 115 Ca 0.00 -0.47 -0.45 0.00 -0.01 0.00 0.00 64.34 63.42 1p8a n VAL 115 Cb 0.00 1.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.90 1p8a n VAL 115 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1p8a n ASP 116 N -0.91 3.09 -4.54 4.52 5.68 -1.26 -4.51 116.55 118.61 1p8a n ASP 116 Ca 0.00 1.12 -0.43 0.00 -0.50 0.00 0.00 54.79 54.98 1p8a n ASP 116 Cb 0.00 -1.46 -0.05 0.00 -1.14 0.00 0.00 41.12 38.47 1p8a n ASP 116 CO 0.00 0.00 0.00 -1.81 -1.33 0.00 0.00 177.20 174.06 1p8a s ASP 117 N 0.55 6.42 0.13 -1.12 1.01 -1.26 -4.83 116.67 117.57 1p8a s ASP 117 Ca 0.71 -0.08 0.00 0.00 0.71 0.00 0.00 52.55 53.89 1p8a s ASP 117 Cb -0.63 -2.40 0.00 0.00 1.01 0.00 0.00 42.92 40.91 1p8a s ASP 117 CO 0.45 -0.94 0.00 -0.81 0.21 0.00 0.00 175.17 174.08 1p8a n PRO 118 N 6.79 0.79 -2.23 8.23 -0.04 -1.26 -4.76 135.00 142.52 1p8a n PRO 118 Ca 0.03 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.47 1p8a n PRO 118 Cb 0.48 0.00 0.06 0.00 -0.04 0.00 0.00 33.50 34.00 1p8a n PRO 118 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 1p8a n TYR 119 N -0.57 -0.79 0.01 0.54 9.36 -1.26 -4.90 117.16 119.54 1p8a n TYR 119 Ca 0.00 -1.43 0.00 0.00 3.32 0.00 0.00 57.90 59.80 1p8a n TYR 119 Cb 0.00 0.83 -0.00 0.00 -0.63 0.00 0.00 39.34 39.54 1p8a n TYR 119 CO 0.00 0.00 0.00 0.98 0.22 0.00 0.00 176.86 178.06 1p8a n TYR 120 N -0.85 0.00 0.00 2.98 9.36 -1.26 -5.09 117.16 122.30 1p8a n TYR 120 Ca -0.13 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.09 1p8a n TYR 120 Cb 0.85 -0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.56 1p8a n TYR 120 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 1p8a n SER 121 N -1.08 0.00 -4.05 2.98 7.64 -1.26 -5.03 113.62 112.83 1p8a n SER 121 Ca 0.00 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.55 1p8a n SER 121 Cb 0.00 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.11 1p8a n SER 121 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1p8a n SER 122 N 0.00 1.85 0.00 6.43 7.64 -1.26 -4.21 113.62 124.07 1p8a n SER 122 Ca 0.00 -2.58 0.00 0.00 1.01 0.00 0.00 58.87 57.30 1p8a n SER 122 Cb 0.00 -1.23 0.00 0.00 -1.01 0.00 0.00 64.21 61.97 1p8a n SER 122 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1p8a n ASP 123 N 12.82 0.74 -0.03 6.43 9.92 -1.26 -4.80 116.55 140.36 1p8a n ASP 123 Ca 0.46 -1.02 -0.05 0.00 -0.53 0.00 0.00 54.79 53.65 1p8a n ASP 123 Cb 0.44 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 40.90 1p8a n ASP 123 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1p8a n GLY 124 N -0.01 -0.08 0.30 0.44 0.00 -1.26 -4.17 105.19 100.40 1p8a n GLY 124 Ca 0.00 -0.03 0.06 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.08 -0.14 0.06 1.61 0.04 -1.90 2.34 116.94 118.87 1p8a h PHE 125 Ca -0.13 0.06 -0.00 0.00 2.80 0.00 0.00 57.97 60.70 1p8a h PHE 125 Cb 1.16 0.19 0.00 0.00 2.20 0.00 0.00 35.95 39.50 1p8a h PHE 125 CO -0.00 -0.30 -0.03 -1.00 -0.60 0.00 0.00 178.31 176.37 1p8a h PRO 126 N 0.06 -0.08 0.10 1.51 0.13 -1.87 -3.14 132.00 128.71 1p8a h PRO 126 Ca 0.45 0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 65.58 1p8a h PRO 126 Cb 0.80 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.94 1p8a h PRO 126 CO -0.76 0.48 -0.05 1.15 -0.23 0.00 0.00 178.00 178.60 1p8a h THR 127 N -0.73 0.97 -0.32 1.56 2.02 -1.43 -0.97 112.91 114.01 1p8a h THR 127 Ca -0.01 -0.27 0.03 0.00 0.77 0.00 0.00 66.41 66.93 1p8a h THR 127 Cb 0.60 1.15 -0.04 0.00 -1.74 0.00 0.00 68.15 68.11 1p8a h THR 127 CO 0.01 0.07 -0.24 -0.03 0.37 0.00 0.00 175.52 175.70 1p8a h MET 128 N -0.26 -0.06 -0.58 6.66 -1.53 0.38 0.96 114.93 120.51 1p8a h MET 128 Ca -0.01 0.00 0.06 0.00 -3.44 0.00 0.00 59.70 56.31 1p8a h MET 128 Cb 0.21 0.01 -0.05 0.00 -0.55 0.00 0.00 31.60 31.22 1p8a h MET 128 CO 0.02 -0.04 0.28 0.35 0.14 0.00 0.00 176.91 177.66 1p8a h PHE 129 N -0.06 0.50 -0.39 1.39 3.57 -1.55 -0.55 116.94 119.86 1p8a h PHE 129 Ca 0.05 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.62 1p8a h PHE 129 Cb 0.20 -0.14 -0.07 0.00 2.79 0.00 0.00 35.95 38.73 1p8a h PHE 129 CO -0.86 0.21 -0.41 0.00 -2.23 0.00 0.00 178.31 175.02 1p8a h ALA 130 N 1.33 -0.60 -0.27 2.41 0.00 0.53 -0.42 119.26 122.24 1p8a h ALA 130 Ca 0.27 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.21 1p8a h ALA 130 Cb 0.22 1.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 1p8a h ALA 130 CO -0.21 -0.82 0.15 0.66 0.00 0.00 0.00 179.25 179.04 1p8a h SER 131 N -0.23 0.24 -0.34 0.00 4.64 -0.73 0.38 113.55 117.49 1p8a h SER 131 Ca 0.07 0.01 0.03 0.00 -0.47 0.00 0.00 61.79 61.42 1p8a h SER 131 Cb 0.41 -0.04 -0.05 0.00 -0.31 0.00 0.00 62.40 62.41 1p8a h SER 131 CO -0.49 0.18 -0.25 0.40 -0.87 0.00 0.00 176.83 175.80 1p8a h ILE 132 N 0.31 0.00 0.00 0.95 1.08 0.28 0.27 117.51 120.40 1p8a h ILE 132 Ca 0.11 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.56 1p8a h ILE 132 Cb 0.01 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 33.76 1p8a h ILE 132 CO -0.06 0.00 -0.10 0.77 -0.69 0.00 0.00 178.15 178.07 1p8a h SER 133 N -0.06 0.00 -0.28 1.72 4.64 -1.04 -2.97 113.55 115.56 1p8a h SER 133 Ca 0.06 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.33 1p8a h SER 133 Cb 0.21 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.28 1p8a h SER 133 CO -0.36 0.10 0.04 0.50 -0.87 0.00 0.00 176.83 176.24 1p8a h LYS 134 N 0.00 0.56 -2.09 4.77 3.64 0.32 -3.31 116.57 120.46 1p8a h LYS 134 Ca -0.00 -0.11 -0.56 0.00 -1.27 0.00 0.00 60.65 58.72 1p8a h LYS 134 Cb 0.64 -0.09 -0.40 0.00 -0.41 0.00 0.00 32.23 31.97 1p8a h LYS 134 CO 0.01 0.55 -0.94 -1.91 -2.27 0.00 0.00 179.45 174.90 1p8a n GLU 135 N -4.30 1.59 0.00 1.90 4.07 -0.16 -4.82 120.64 118.92 1p8a n GLU 135 Ca 0.02 -3.85 0.01 0.00 -0.06 0.00 0.00 57.16 53.27 1p8a n GLU 135 Cb 0.22 -1.73 -0.00 0.00 -0.06 0.00 0.00 31.44 29.87 1p8a n GLU 135 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1p8a n MET 136 N 0.76 3.04 -0.09 5.31 0.00 -1.20 -4.40 117.12 120.53 1p8a n MET 136 Ca 0.26 -0.30 -0.20 0.00 0.00 0.00 0.00 57.70 57.46 1p8a n MET 136 Cb 0.51 -0.80 -0.12 0.00 0.00 0.00 0.00 33.22 32.81 1p8a n MET 136 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 175.97 176.84 1p8a h LYS 137 N 0.20 0.01 0.00 3.17 1.57 -1.88 -3.24 116.57 116.40 1p8a h LYS 137 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1p8a h LYS 137 Cb 0.07 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.38 1p8a h LYS 137 CO 0.00 1.01 0.00 -0.35 -0.57 0.00 0.00 179.45 179.54 1p8a n PRO 138 N -4.44 0.17 -0.10 3.15 -0.04 -1.26 -1.53 135.00 130.94 1p8a n PRO 138 Ca -0.27 0.05 -0.20 0.00 -0.04 0.00 0.00 63.50 63.04 1p8a n PRO 138 Cb 0.65 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.49 1p8a n PRO 138 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 1p8a h PHE 139 N 0.00 0.00 0.00 0.54 3.04 -1.77 -3.24 116.94 115.51 1p8a h PHE 139 Ca 0.00 0.00 -0.23 0.00 3.98 0.00 0.00 57.97 61.72 1p8a h PHE 139 Cb 0.35 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 38.83 1p8a h PHE 139 CO 0.00 1.38 -1.15 1.25 -2.02 0.00 0.00 178.31 177.77 1p8a h LEU 140 N -1.00 0.01 -1.17 0.59 5.85 -1.63 -0.13 115.31 117.83 1p8a h LEU 140 Ca -0.28 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.38 1p8a h LEU 140 Cb 1.24 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.26 1p8a h LEU 140 CO -0.17 1.01 -0.22 0.74 -0.34 0.00 0.00 178.44 179.45 1p8a h THR 141 N 0.00 0.57 0.00 1.05 2.02 -1.44 -0.80 112.91 114.30 1p8a h THR 141 Ca -0.07 -1.09 -0.34 0.00 0.77 0.00 0.00 66.41 65.68 1p8a h THR 141 Cb 1.82 1.74 -0.06 0.00 -1.74 0.00 0.00 68.15 69.92 1p8a h THR 141 CO 0.12 0.22 -2.21 -0.62 0.37 0.00 0.00 175.52 173.40 1p8a n GLU 142 N -3.41 0.50 -0.35 6.66 1.02 -1.22 -4.28 120.64 119.56 1p8a n GLU 142 Ca -0.00 0.16 0.24 0.00 -0.02 0.00 0.00 57.16 57.54 1p8a n GLU 142 Cb 0.42 -1.36 0.48 0.00 -0.02 0.00 0.00 31.44 30.96 1p8a n GLU 142 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1p8a h HIS 143 N -0.33 0.87 0.00 -0.32 3.86 -1.11 -3.42 115.15 114.70 1p8a h HIS 143 Ca -0.51 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 58.74 1p8a h HIS 143 Cb 1.62 -0.24 0.00 0.00 1.06 0.00 0.00 27.41 29.86 1p8a h HIS 143 CO -0.02 -0.11 0.00 0.41 0.86 0.00 0.00 177.93 179.08 1p8a n GLY 144 N -1.34 -0.31 0.00 2.45 0.00 -1.21 -5.08 105.19 99.69 1p8a n GLY 144 Ca 0.31 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.37 1p8a n GLY 144 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1p8a n LEU 145 N 0.00 0.00 0.00 0.99 4.32 -0.42 -4.63 117.00 117.25 1p8a n LEU 145 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1p8a n LEU 145 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 1p8a n LEU 145 CO 0.00 0.00 0.00 0.00 -1.22 0.00 0.00 177.39 176.17