#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 -3.22 -2.89 0.00 0.00 -1.26 -5.00 120.51 108.15 1p8a n ALA 2 Ca 0.00 0.70 -0.28 0.00 0.00 0.00 0.00 53.44 53.86 1p8a n ALA 2 Cb 0.00 -1.95 -0.04 0.00 0.00 0.00 0.00 19.45 17.45 1p8a n ALA 2 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1p8a s GLU 3 N -1.95 3.25 0.00 0.00 2.56 -1.26 -5.11 118.70 116.19 1p8a s GLU 3 Ca 0.10 -0.63 0.00 0.00 0.00 0.00 0.00 54.97 54.44 1p8a s GLU 3 Cb -0.02 -2.89 0.00 0.00 2.00 0.00 0.00 34.13 33.22 1p8a s GLU 3 CO 0.74 0.54 0.00 1.63 -0.56 0.00 0.00 175.26 177.61 1p8a n LYS 4 N -0.17 0.76 0.00 4.30 4.01 -1.26 -5.09 118.16 120.71 1p8a n LYS 4 Ca -0.07 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.73 1p8a n LYS 4 Cb 0.53 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.05 1p8a n LYS 4 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1p8a n LYS 5 N -0.19 0.00 -3.70 1.97 5.02 -1.26 -5.00 118.16 115.00 1p8a n LYS 5 Ca 0.00 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.12 1p8a n LYS 5 Cb 0.00 0.00 -0.16 0.00 -0.02 0.00 0.00 35.03 34.85 1p8a n LYS 5 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1p8a s ALA 6 N -1.13 -0.08 -0.11 7.82 0.00 -1.26 0.20 121.76 127.20 1p8a s ALA 6 Ca 0.00 0.49 0.02 0.00 0.00 0.00 0.00 51.96 52.46 1p8a s ALA 6 Cb 0.00 -0.64 -0.01 0.00 0.00 0.00 0.00 23.12 22.47 1p8a s ALA 6 CO 0.00 -0.41 -0.16 0.08 0.00 0.00 0.00 175.76 175.26 1p8a s VAL 7 N 1.90 2.78 -0.86 0.00 1.01 -0.14 -1.41 120.40 123.68 1p8a s VAL 7 Ca -0.00 -0.77 -0.19 0.00 0.00 0.00 0.00 61.98 61.01 1p8a s VAL 7 Cb -0.12 -2.13 0.13 0.00 0.00 0.00 0.00 36.38 34.26 1p8a s VAL 7 CO -0.05 0.54 1.04 -0.22 0.00 0.00 0.00 175.10 176.41 1p8a s LEU 8 N 0.17 5.15 -0.55 3.92 2.96 -0.04 -0.76 118.68 129.53 1p8a s LEU 8 Ca -0.09 -1.92 -0.26 0.00 -0.22 0.00 0.00 54.13 51.64 1p8a s LEU 8 Cb -0.15 -2.38 0.03 0.00 0.50 0.00 0.00 46.19 44.19 1p8a s LEU 8 CO 0.06 -1.07 1.06 -0.36 -1.32 0.00 0.00 176.35 174.71 1p8a s PHE 9 N 2.64 2.73 0.40 5.38 0.08 0.17 -0.41 117.98 128.97 1p8a s PHE 9 Ca 0.28 0.28 0.04 0.00 0.12 0.00 0.00 56.93 57.65 1p8a s PHE 9 Cb -0.08 -4.28 -0.05 0.00 -0.57 0.00 0.00 43.02 38.04 1p8a s PHE 9 CO -0.06 -1.41 0.06 0.54 -0.10 0.00 0.00 175.22 174.25 1p8a s VAL 10 N 4.39 1.17 0.00 -0.44 0.11 -0.40 -1.28 120.40 123.94 1p8a s VAL 10 Ca 0.38 -2.00 0.00 0.00 -2.93 0.00 0.00 61.98 57.43 1p8a s VAL 10 Cb -0.10 -2.58 0.00 0.00 -1.53 0.00 0.00 36.38 32.17 1p8a s VAL 10 CO 0.24 0.00 0.00 0.00 -3.33 0.00 0.00 175.10 172.01 1p8a n LEU 12 N -1.15 0.00 -0.00 0.00 4.77 -1.26 -4.73 117.00 114.63 1p8a n LEU 12 Ca 0.00 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.10 1p8a n LEU 12 Cb 0.00 0.00 0.21 0.00 -2.33 0.00 0.00 43.42 41.30 1p8a n LEU 12 CO 0.00 0.00 0.40 0.61 -1.33 0.00 0.00 177.39 177.07 1p8a n GLY 13 N 0.00 -1.22 2.38 -0.72 0.00 -1.23 -2.29 105.19 102.11 1p8a n GLY 13 Ca 0.00 -0.38 -0.12 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.50 -4.04 0.00 1.61 2.85 -1.26 -4.65 115.26 108.28 1p8a n ASN 14 Ca 0.05 -0.11 0.00 0.00 -0.11 0.00 0.00 54.58 54.42 1p8a n ASN 14 Cb 0.33 -3.05 0.00 0.00 1.24 0.00 0.00 39.78 38.30 1p8a n ASN 14 CO 0.00 0.00 0.00 -0.38 -2.11 0.00 0.00 177.26 174.77 1p8a n ILE 15 N -3.99 0.00 -2.53 -1.44 5.41 -1.26 -4.27 119.36 111.29 1p8a n ILE 15 Ca -0.09 0.00 -0.42 0.00 1.00 0.00 0.00 62.75 63.24 1p8a n ILE 15 Cb 0.58 -0.24 0.01 0.00 -0.71 0.00 0.00 39.64 39.28 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 1.44 0.00 0.00 0.00 1.74 -1.26 -4.88 116.66 113.71 1p8a n ARG 17 Ca 0.44 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.52 1p8a n ARG 17 Cb 0.29 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.73 1p8a n ARG 17 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1p8a n SER 18 N 0.00 0.00 0.10 0.55 7.64 -1.26 -3.77 113.62 116.88 1p8a n SER 18 Ca 0.00 0.00 0.11 0.00 1.01 0.00 0.00 58.87 59.99 1p8a n SER 18 Cb 0.00 0.00 0.45 0.00 -1.01 0.00 0.00 64.21 63.65 1p8a n SER 18 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1p8a n PRO 19 N 0.00 0.16 0.08 1.43 -0.04 -1.26 -2.66 135.00 132.71 1p8a n PRO 19 Ca 0.00 0.35 0.08 0.00 -0.04 0.00 0.00 63.50 63.89 1p8a n PRO 19 Cb 0.00 -1.78 0.37 0.00 -0.04 0.00 0.00 33.50 32.05 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 -1.72 1.38 0.14 0.55 0.00 -1.26 -1.74 120.51 117.87 1p8a n ALA 20 Ca 0.03 0.06 -0.00 0.00 0.00 0.00 0.00 53.44 53.53 1p8a n ALA 20 Cb 0.25 -1.26 0.20 0.00 0.00 0.00 0.00 19.45 18.64 1p8a n ALA 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1p8a h GLU 22 N 0.00 0.64 -0.14 0.00 4.81 -1.58 0.60 114.58 118.92 1p8a h GLU 22 Ca -0.01 -0.36 -0.08 0.00 -0.13 0.00 0.00 59.36 58.78 1p8a h GLU 22 Cb 1.06 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.47 1p8a h GLU 22 CO 0.08 0.97 -0.23 0.78 -0.73 0.00 0.00 179.01 179.87 1p8a h GLY 23 N 0.35 0.43 0.97 1.92 0.00 -1.63 -1.11 103.07 104.01 1p8a h GLY 23 Ca 0.03 -0.50 -0.05 0.00 0.00 0.00 0.00 47.33 46.81 1p8a h GLY 23 CO 0.07 0.45 0.09 1.19 0.00 0.00 0.00 176.54 178.34 1p8a h ILE 24 N -0.00 1.24 -0.01 2.60 6.09 -1.27 0.14 117.51 126.30 1p8a h ILE 24 Ca 0.01 -0.88 -0.00 0.00 -1.37 0.00 0.00 64.86 62.62 1p8a h ILE 24 Cb 0.81 0.91 -0.00 0.00 0.47 0.00 0.00 36.82 39.01 1p8a h ILE 24 CO 0.05 0.31 0.00 0.00 -3.07 0.00 0.00 178.15 175.45 1p8a h ARG 26 N -0.24 0.00 0.00 0.00 0.11 -1.15 0.64 114.38 113.74 1p8a h ARG 26 Ca 0.00 0.00 -0.14 0.00 0.10 0.00 0.00 59.98 59.94 1p8a h ARG 26 Cb 0.26 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.32 1p8a h ARG 26 CO 0.00 0.25 -1.04 -0.44 0.10 0.00 0.00 179.97 178.84 1p8a h ASP 27 N 0.00 0.00 0.69 0.08 5.19 -0.50 0.53 116.42 122.41 1p8a h ASP 27 Ca -0.00 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 56.35 1p8a h ASP 27 Cb 0.60 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.10 1p8a h ASP 27 CO 0.03 0.56 -1.36 0.80 -3.12 0.00 0.00 179.24 176.15 1p8a n MET 28 N -3.03 0.62 0.00 3.56 1.56 0.79 -4.46 117.12 116.16 1p8a n MET 28 Ca -0.05 0.08 0.00 0.00 -0.27 0.00 0.00 57.70 57.47 1p8a n MET 28 Cb 0.80 -1.75 0.00 0.00 2.15 0.00 0.00 33.22 34.42 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 -2.66 0.00 0.00 1.12 0.31 0.19 -5.00 118.33 112.29 1p8a n VAL 29 Ca -0.05 -0.22 0.00 0.00 -0.01 0.00 0.00 64.34 64.06 1p8a n VAL 29 Cb 0.65 0.80 0.00 0.00 -0.91 0.00 0.00 33.84 34.39 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 0.88 3.23 0.00 2.92 0.00 0.19 -4.72 105.19 107.68 1p8a n GLY 30 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1p8a n GLY 30 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1p8a n ASP 31 N 0.07 0.00 -2.03 1.61 5.75 -1.24 -4.80 116.55 115.90 1p8a n ASP 31 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1p8a n ASP 31 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1p8a n ASP 31 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1p8a n LYS 32 N -0.29 -5.23 0.00 0.11 4.76 -1.26 -3.25 118.16 113.00 1p8a n LYS 32 Ca 0.00 3.71 0.00 0.00 -2.87 0.00 0.00 58.31 59.15 1p8a n LYS 32 Cb 0.00 -4.07 0.00 0.00 -1.84 0.00 0.00 35.03 29.12 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 1.56 0.00 -2.36 -0.35 4.32 -1.26 -4.68 117.00 114.22 1p8a n LEU 33 Ca 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 56.01 55.89 1p8a n LEU 33 Cb 0.00 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 41.78 1p8a n LEU 33 CO 0.00 0.00 -0.04 2.30 -1.22 0.00 0.00 177.39 178.43 1p8a n ILE 34 N 0.00 0.00 -3.47 -0.08 -5.35 0.13 -4.79 119.36 105.80 1p8a n ILE 34 Ca 0.00 0.00 -0.43 0.00 -0.27 0.00 0.00 62.75 62.05 1p8a n ILE 34 Cb 0.00 -0.12 -0.06 0.00 -1.74 0.00 0.00 39.64 37.72 1p8a n ILE 34 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1p8a s ILE 35 N -1.68 4.74 -0.32 7.28 1.01 -1.26 -0.97 121.20 130.00 1p8a s ILE 35 Ca 0.19 -2.17 0.01 0.00 0.00 0.00 0.00 60.65 58.69 1p8a s ILE 35 Cb -0.11 -4.03 0.10 0.00 0.01 0.00 0.00 42.46 38.43 1p8a s ILE 35 CO 0.24 -0.89 0.08 -0.62 0.00 0.00 0.00 174.94 173.74 1p8a s ASP 36 N 2.31 4.38 0.02 3.58 2.15 0.06 -4.92 116.67 124.26 1p8a s ASP 36 Ca 0.11 -1.89 -0.30 0.00 0.43 0.00 0.00 52.55 50.90 1p8a s ASP 36 Cb -0.21 -1.22 -0.04 0.00 -0.30 0.00 0.00 42.92 41.15 1p8a s ASP 36 CO -0.03 -0.40 1.01 -0.94 -0.17 0.00 0.00 175.17 174.64 1p8a s SER 37 N 1.28 7.34 0.16 -0.34 1.04 -1.26 0.42 113.70 122.33 1p8a s SER 37 Ca 0.10 1.73 0.00 0.00 0.48 0.00 0.00 55.95 58.27 1p8a s SER 37 Cb -0.18 -2.57 -0.00 0.00 0.10 0.00 0.00 66.02 63.36 1p8a s SER 37 CO -0.17 -0.27 0.01 0.00 0.98 0.00 0.00 173.24 173.79 1p8a n ALA 38 N 3.76 0.15 0.00 5.32 0.00 -0.41 -4.88 120.51 124.45 1p8a n ALA 38 Ca 0.06 -0.71 0.00 0.00 0.00 0.00 0.00 53.44 52.78 1p8a n ALA 38 Cb 0.50 0.41 0.00 0.00 0.00 0.00 0.00 19.45 20.36 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 -2.46 0.00 0.43 0.00 0.00 -1.26 -4.05 120.51 113.17 1p8a n ALA 39 Ca -0.06 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.47 1p8a n ALA 39 Cb 0.20 0.00 0.38 0.00 0.00 0.00 0.00 19.45 20.04 1p8a n ALA 39 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1p8a n THR 40 N 0.00 0.96 -3.88 0.00 5.66 -1.25 -3.28 114.28 112.49 1p8a n THR 40 Ca 0.00 0.26 -0.30 0.00 -3.05 0.00 0.00 64.05 60.96 1p8a n THR 40 Cb 0.00 -1.10 -0.14 0.00 -1.55 0.00 0.00 70.33 67.54 1p8a n THR 40 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1p8a s SER 41 N -3.56 4.23 -0.91 1.09 0.15 -0.97 -4.96 113.70 108.79 1p8a s SER 41 Ca 0.05 -2.51 -0.12 0.00 0.70 0.00 0.00 55.95 54.07 1p8a s SER 41 Cb 0.09 -1.38 0.23 0.00 -1.71 0.00 0.00 66.02 63.25 1p8a s SER 41 CO 0.31 -0.30 0.86 -0.83 1.20 0.00 0.00 173.24 174.47 1p8a s GLY 42 N 0.43 2.83 0.00 9.45 0.00 -1.26 -3.49 107.32 115.29 1p8a s GLY 42 Ca 0.15 -3.48 0.06 0.00 0.00 0.00 0.00 44.72 41.44 1p8a s GLY 42 CO -0.05 1.27 1.01 0.69 0.00 0.00 0.00 173.10 176.03 1p8a n PHE 43 N 3.56 0.00 -2.82 1.90 3.72 -1.26 -4.87 117.46 117.69 1p8a n PHE 43 Ca 0.17 -0.11 -0.00 0.00 -0.05 0.00 0.00 57.45 57.45 1p8a n PHE 43 Cb 0.44 -0.05 0.05 0.00 -0.94 0.00 0.00 39.48 38.99 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 0.11 1.06 -2.53 1.38 8.25 -1.26 -5.11 115.22 117.12 1p8a n HIS 44 Ca 0.01 -2.14 -0.23 0.00 -0.26 0.00 0.00 57.72 55.10 1p8a n HIS 44 Cb 0.79 -0.13 0.04 0.00 1.12 0.00 0.00 29.99 31.81 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 -3.55 2.71 -1.47 1.59 1.01 -1.26 -4.20 120.40 115.22 1p8a s VAL 45 Ca 0.26 -0.50 -0.14 0.00 0.00 0.00 0.00 61.98 61.60 1p8a s VAL 45 Cb 0.33 -3.06 0.11 0.00 0.00 0.00 0.00 36.38 33.76 1p8a s VAL 45 CO -0.04 -0.05 0.66 0.61 0.00 0.00 0.00 175.10 176.28 1p8a n GLY 46 N -2.50 -0.47 0.00 4.51 0.00 -1.26 -4.78 105.19 100.68 1p8a n GLY 46 Ca 0.07 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 -4.08 0.00 -1.83 1.61 10.64 -1.26 -5.15 117.38 117.31 1p8a n GLN 47 Ca 0.04 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.21 1p8a n GLN 47 Cb 0.51 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.89 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 -9.39 -3.67 2.61 2.88 -1.26 -4.45 113.62 100.35 1p8a n SER 48 Ca 0.00 1.34 -0.43 0.00 -1.33 0.00 0.00 58.87 58.45 1p8a n SER 48 Cb 0.00 -5.06 -0.06 0.00 -0.75 0.00 0.00 64.21 58.33 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 0.24 1.36 -0.40 -1.46 -0.04 -1.26 -4.58 135.00 128.85 1p8a n PRO 49 Ca 0.00 -1.80 0.08 0.00 -0.04 0.00 0.00 63.50 61.74 1p8a n PRO 49 Cb 0.00 -2.92 0.26 0.00 -0.04 0.00 0.00 33.50 30.80 1p8a n PRO 49 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1p8a n ASP 50 N 8.05 3.43 0.08 3.54 2.03 -1.26 -4.10 116.55 128.31 1p8a n ASP 50 Ca 0.49 -2.22 -0.10 0.00 0.52 0.00 0.00 54.79 53.48 1p8a n ASP 50 Cb 0.41 -0.45 -0.02 0.00 -0.72 0.00 0.00 41.12 40.34 1p8a n ASP 50 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1p8a h THR 51 N 3.12 1.47 -0.07 5.18 1.35 -1.95 -1.37 112.91 120.63 1p8a h THR 51 Ca 0.00 -2.58 -0.12 0.00 -0.55 0.00 0.00 66.41 63.16 1p8a h THR 51 Cb 1.01 2.45 0.01 0.00 -1.73 0.00 0.00 68.15 69.89 1p8a h THR 51 CO 0.12 0.76 -0.43 -0.09 -0.25 0.00 0.00 175.52 175.63 1p8a h ARG 52 N 0.14 0.42 -0.08 4.72 9.65 -1.98 -0.20 114.38 127.05 1p8a h ARG 52 Ca -0.05 -0.35 -0.01 0.00 -1.10 0.00 0.00 59.98 58.47 1p8a h ARG 52 Cb 1.52 0.08 -0.00 0.00 -1.39 0.00 0.00 29.97 30.18 1p8a h ARG 52 CO 0.14 0.99 0.03 1.03 2.80 0.00 0.00 179.97 184.96 1p8a h SER 53 N -0.04 0.12 -0.59 -3.80 0.87 -1.78 -0.81 113.55 107.51 1p8a h SER 53 Ca -0.03 -0.18 -0.03 0.00 -1.23 0.00 0.00 61.79 60.32 1p8a h SER 53 Cb 1.08 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.99 1p8a h SER 53 CO 0.09 0.26 0.27 -0.61 -0.53 0.00 0.00 176.83 176.31 1p8a h GLN 54 N -0.04 0.87 0.02 2.24 5.75 -1.31 0.12 115.11 122.77 1p8a h GLN 54 Ca 0.03 -0.14 -0.00 0.00 -0.15 0.00 0.00 58.65 58.39 1p8a h GLN 54 Cb 0.19 -0.15 -0.00 0.00 1.07 0.00 0.00 27.48 28.59 1p8a h GLN 54 CO -0.00 0.72 -0.02 -0.22 -2.65 0.00 0.00 178.83 176.66 1p8a h LYS 55 N 0.81 -0.04 -1.01 1.69 1.63 -0.81 -1.05 116.57 117.80 1p8a h LYS 55 Ca 0.20 0.00 0.27 0.00 -0.85 0.00 0.00 60.65 60.27 1p8a h LYS 55 Cb 0.15 0.01 -0.06 0.00 -0.60 0.00 0.00 32.23 31.73 1p8a h LYS 55 CO -0.02 -0.02 0.69 -0.39 -3.45 0.00 0.00 179.45 176.25 1p8a h VAL 56 N -0.04 0.53 0.10 2.00 -1.51 -1.17 0.77 116.25 116.94 1p8a h VAL 56 Ca -0.00 -0.07 0.02 0.00 -1.23 0.00 0.00 66.70 65.42 1p8a h VAL 56 Cb 0.03 0.31 -0.03 0.00 -2.13 0.00 0.00 31.29 29.47 1p8a h VAL 56 CO 0.00 0.04 -0.25 0.00 -1.23 0.00 0.00 177.57 176.13 1p8a h LYS 58 N -0.44 0.00 0.00 0.00 3.11 0.36 1.62 116.57 121.23 1p8a h LYS 58 Ca 0.03 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.87 1p8a h LYS 58 Cb 0.47 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.70 1p8a h LYS 58 CO -0.15 0.34 0.00 0.45 -2.81 0.00 0.00 179.45 177.28 1p8a n SER 59 N -4.13 0.36 -0.03 4.20 2.88 -0.36 -3.69 113.62 112.84 1p8a n SER 59 Ca -0.02 0.54 -0.04 0.00 -1.33 0.00 0.00 58.87 58.02 1p8a n SER 59 Cb 0.38 -0.64 -0.05 0.00 -0.75 0.00 0.00 64.21 63.16 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 -1.85 3.40 0.00 -3.46 3.02 0.21 -5.03 115.26 111.55 1p8a n ASN 60 Ca 0.06 -0.02 0.00 0.00 -0.03 0.00 0.00 54.58 54.59 1p8a n ASN 60 Cb 0.34 0.39 0.00 0.00 -0.61 0.00 0.00 39.78 39.90 1p8a n ASN 60 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1p8a n GLY 61 N 2.78 -0.41 2.70 7.41 0.00 0.48 -5.07 105.19 113.07 1p8a n GLY 61 Ca -0.12 -0.09 -0.10 0.00 0.00 0.00 0.00 46.02 45.72 1p8a n GLY 61 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1p8a n VAL 62 N 0.00 -0.01 -2.38 1.61 0.31 0.30 -4.01 118.33 114.16 1p8a n VAL 62 Ca 0.00 -1.69 -0.42 0.00 -0.01 0.00 0.00 64.34 62.22 1p8a n VAL 62 Cb 0.00 1.38 -0.03 0.00 -0.91 0.00 0.00 33.84 34.28 1p8a n VAL 62 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1p8a s ASP 63 N -1.34 7.04 0.09 4.52 2.15 -1.26 -3.66 116.67 124.20 1p8a s ASP 63 Ca 0.23 2.10 0.00 0.00 0.43 0.00 0.00 52.55 55.32 1p8a s ASP 63 Cb 0.30 -2.59 -0.00 0.00 -0.30 0.00 0.00 42.92 40.33 1p8a s ASP 63 CO -0.05 -0.48 0.10 2.30 -0.17 0.00 0.00 175.17 176.87 1p8a n ILE 64 N 3.65 0.00 -0.05 4.11 -5.35 -1.26 -4.74 119.36 115.72 1p8a n ILE 64 Ca 0.08 -0.51 -0.06 0.00 -0.27 0.00 0.00 62.75 61.99 1p8a n ILE 64 Cb 0.45 0.29 -0.02 0.00 -1.74 0.00 0.00 39.64 38.62 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 -2.26 1.46 -2.72 7.28 3.41 -1.26 -5.11 113.62 114.43 1p8a n SER 65 Ca 0.01 0.24 -0.12 0.00 -0.26 0.00 0.00 58.87 58.74 1p8a n SER 65 Cb 0.15 -0.63 -0.02 0.00 -0.26 0.00 0.00 64.21 63.45 1p8a n SER 65 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1p8a n LYS 66 N -3.96 0.66 -3.61 4.33 4.76 -1.26 -5.13 118.16 113.95 1p8a n LYS 66 Ca -0.10 -2.38 -0.29 0.00 -2.87 0.00 0.00 58.31 52.68 1p8a n LYS 66 Cb 0.35 2.36 -0.14 0.00 -1.84 0.00 0.00 35.03 35.77 1p8a n LYS 66 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1p8a s GLN 67 N -2.62 0.64 -0.93 1.97 -1.52 -1.26 -5.04 119.66 110.91 1p8a s GLN 67 Ca 0.24 -1.17 -0.02 0.00 -1.95 0.00 0.00 55.36 52.46 1p8a s GLN 67 Cb -0.01 -1.67 0.25 0.00 -0.22 0.00 0.00 33.01 31.36 1p8a s GLN 67 CO 0.17 -1.08 0.99 0.54 -0.25 0.00 0.00 175.29 175.66 1p8a n ARG 68 N 4.51 3.17 -1.40 2.91 1.74 -1.26 -4.60 116.66 121.74 1p8a n ARG 68 Ca 0.02 -4.53 -0.50 0.00 -0.77 0.00 0.00 57.85 52.07 1p8a n ARG 68 Cb 0.39 -2.43 -0.11 0.00 -1.02 0.00 0.00 32.46 29.30 1p8a n ARG 68 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1p8a n ALA 69 N 1.86 0.49 -2.92 7.54 0.00 -1.26 -4.90 120.51 121.32 1p8a n ALA 69 Ca 0.24 -0.11 -0.22 0.00 0.00 0.00 0.00 53.44 53.36 1p8a n ALA 69 Cb 0.37 -2.34 -0.03 0.00 0.00 0.00 0.00 19.45 17.45 1p8a n ALA 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1p8a s ARG 70 N 7.18 3.27 0.66 0.00 3.52 -1.26 -4.66 118.95 127.67 1p8a s ARG 70 Ca 1.21 -0.83 -0.14 0.00 -0.13 0.00 0.00 55.73 55.84 1p8a s ARG 70 Cb -1.17 -2.79 -0.00 0.00 -1.56 0.00 0.00 34.95 29.43 1p8a s ARG 70 CO 0.53 0.43 1.08 -1.14 -0.81 0.00 0.00 175.30 175.40 1p8a s GLN 71 N -3.82 2.89 0.61 5.12 0.74 -1.26 -4.51 119.66 119.42 1p8a s GLN 71 Ca 0.34 1.23 -0.12 0.00 0.05 0.00 0.00 55.36 56.86 1p8a s GLN 71 Cb -0.09 -1.97 -0.04 0.00 1.10 0.00 0.00 33.01 32.00 1p8a s GLN 71 CO 0.28 -1.16 1.02 -1.50 -0.55 0.00 0.00 175.29 173.38 1p8a s ILE 72 N -2.57 4.67 0.48 -2.34 2.07 -1.21 -4.87 121.20 117.44 1p8a s ILE 72 Ca 0.64 0.92 0.03 0.00 -1.41 0.00 0.00 60.65 60.83 1p8a s ILE 72 Cb -0.18 -3.84 -0.03 0.00 0.13 0.00 0.00 42.46 38.54 1p8a s ILE 72 CO 0.44 -1.08 0.02 0.42 -1.91 0.00 0.00 174.94 172.83 1p8a s THR 73 N -3.10 1.40 -0.07 4.00 -4.23 -1.26 -5.02 115.64 107.37 1p8a s THR 73 Ca 0.56 -1.98 0.31 0.00 -1.18 0.00 0.00 61.69 59.39 1p8a s THR 73 Cb -0.11 -2.39 0.37 0.00 1.34 0.00 0.00 72.50 71.72 1p8a s THR 73 CO 0.51 0.00 1.88 0.11 -0.54 0.00 0.00 174.62 176.58 1p8a h LYS 74 N 1.45 0.00 -0.47 3.99 6.56 -2.01 -3.06 116.57 123.03 1p8a h LYS 74 Ca -0.44 0.00 -0.06 0.00 -1.06 0.00 0.00 60.65 59.09 1p8a h LYS 74 Cb 1.30 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.93 1p8a h LYS 74 CO 0.76 0.00 0.03 0.00 -2.06 0.00 0.00 179.45 178.18 1p8a h ALA 75 N 2.02 1.16 -1.09 3.86 0.00 -1.95 -2.64 119.26 120.63 1p8a h ALA 75 Ca 0.00 -0.24 0.30 0.00 0.00 0.00 0.00 54.91 54.97 1p8a h ALA 75 Cb 0.63 -0.19 -0.10 0.00 0.00 0.00 0.00 17.79 18.12 1p8a h ALA 75 CO 0.00 0.55 0.70 -0.44 0.00 0.00 0.00 179.25 180.05 1p8a h ASP 76 N 0.72 0.41 -0.47 0.00 3.32 -1.91 1.54 116.42 120.04 1p8a h ASP 76 Ca 0.15 0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.29 1p8a h ASP 76 Cb 0.40 0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.99 1p8a h ASP 76 CO 0.01 0.03 0.00 0.49 -1.72 0.00 0.00 179.24 178.05 1p8a n PHE 77 N -4.66 1.24 -1.50 4.55 3.72 -1.00 -4.06 117.46 115.75 1p8a n PHE 77 Ca 0.28 -0.47 0.00 0.00 -0.05 0.00 0.00 57.45 57.21 1p8a n PHE 77 Cb 0.98 -0.26 0.00 0.00 -0.94 0.00 0.00 39.48 39.27 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 0.69 0.00 0.00 4.37 2.88 0.47 -4.34 113.62 117.69 1p8a n SER 78 Ca 0.20 -1.10 0.00 0.00 -1.33 0.00 0.00 58.87 56.64 1p8a n SER 78 Cb 0.77 -0.02 0.00 0.00 -0.75 0.00 0.00 64.21 64.21 1p8a n SER 78 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1p8a n LYS 79 N 0.00 0.57 0.00 -1.46 4.01 0.19 -4.96 118.16 116.52 1p8a n LYS 79 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1p8a n LYS 79 Cb 0.52 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.04 1p8a n LYS 79 CO 0.00 0.00 0.00 1.19 -1.11 0.00 0.00 177.40 177.48 1p8a n PHE 80 N 0.00 0.00 0.00 2.13 3.01 -1.26 -4.72 117.46 116.62 1p8a n PHE 80 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1p8a n PHE 80 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 1p8a n PHE 80 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1p8a n ASP 81 N -3.32 0.00 -3.98 4.37 9.92 -0.97 -4.84 116.55 117.73 1p8a n ASP 81 Ca 0.00 0.00 -0.09 0.00 -0.53 0.00 0.00 54.79 54.17 1p8a n ASP 81 Cb 0.00 0.00 -0.11 0.00 -0.64 0.00 0.00 41.12 40.37 1p8a n ASP 81 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1p8a s VAL 82 N -1.00 0.13 -0.12 2.53 1.01 -0.50 -3.96 120.40 118.50 1p8a s VAL 82 Ca 0.00 -0.88 0.03 0.00 0.00 0.00 0.00 61.98 61.12 1p8a s VAL 82 Cb 0.00 -0.27 0.01 0.00 0.00 0.00 0.00 36.38 36.12 1p8a s VAL 82 CO 0.00 -0.47 -0.20 -0.63 0.00 0.00 0.00 175.10 173.79 1p8a s ILE 83 N -1.40 1.87 -0.06 2.22 1.01 -0.05 -0.86 121.20 123.93 1p8a s ILE 83 Ca -0.15 -0.88 0.06 0.00 0.00 0.00 0.00 60.65 59.68 1p8a s ILE 83 Cb -0.10 -1.66 -0.01 0.00 0.01 0.00 0.00 42.46 40.71 1p8a s ILE 83 CO -0.01 0.52 -0.25 0.00 0.00 0.00 0.00 174.94 175.20 1p8a s ALA 84 N 0.73 2.14 0.26 9.38 0.00 0.45 -0.25 121.76 134.47 1p8a s ALA 84 Ca -0.10 -1.03 0.08 0.00 0.00 0.00 0.00 51.96 50.91 1p8a s ALA 84 Cb -0.16 -0.67 -0.04 0.00 0.00 0.00 0.00 23.12 22.25 1p8a s ALA 84 CO 0.01 0.41 0.13 0.00 0.00 0.00 0.00 175.76 176.31 1p8a s ALA 85 N -0.13 3.45 -2.04 0.00 0.00 -0.36 -1.28 121.76 121.40 1p8a s ALA 85 Ca -0.04 -1.52 0.18 0.00 0.00 0.00 0.00 51.96 50.57 1p8a s ALA 85 Cb -0.14 -1.10 0.24 0.00 0.00 0.00 0.00 23.12 22.12 1p8a s ALA 85 CO 0.04 0.24 1.16 1.28 0.00 0.00 0.00 175.76 178.48 1p8a n LEU 86 N -1.09 2.76 -4.29 0.00 4.32 0.16 0.31 117.00 119.17 1p8a n LEU 86 Ca -0.07 -1.27 -0.17 0.00 -0.02 0.00 0.00 56.01 54.48 1p8a n LEU 86 Cb 0.58 -0.10 -0.09 0.00 -1.62 0.00 0.00 43.42 42.19 1p8a n LEU 86 CO 0.42 0.55 -0.19 -0.62 -1.22 0.00 0.00 177.39 176.33 1p8a s ASP 87 N -1.36 1.17 -0.05 -1.43 2.15 -1.26 -4.66 116.67 111.23 1p8a s ASP 87 Ca 0.25 -1.55 -0.03 0.00 0.43 0.00 0.00 52.55 51.65 1p8a s ASP 87 Cb 0.16 0.42 -0.01 0.00 -0.30 0.00 0.00 42.92 43.19 1p8a s ASP 87 CO 0.23 -0.91 -0.06 1.56 -0.17 0.00 0.00 175.17 175.83 1p8a h GLN 88 N 2.31 0.00 -0.98 4.34 1.08 -1.97 -3.34 115.11 116.56 1p8a h GLN 88 Ca -0.32 0.00 0.26 0.00 -1.45 0.00 0.00 58.65 57.14 1p8a h GLN 88 Cb 1.25 0.00 -0.13 0.00 -0.05 0.00 0.00 27.48 28.54 1p8a h GLN 88 CO 0.49 0.00 0.54 0.77 -0.95 0.00 0.00 178.83 179.68 1p8a h SER 89 N -0.33 0.54 -1.00 1.46 0.02 -1.99 0.45 113.55 112.70 1p8a h SER 89 Ca 0.00 0.16 0.17 0.00 -0.84 0.00 0.00 61.79 61.28 1p8a h SER 89 Cb 0.16 0.09 -0.10 0.00 0.14 0.00 0.00 62.40 62.69 1p8a h SER 89 CO 0.00 0.00 0.62 -0.29 -1.14 0.00 0.00 176.83 176.02 1p8a h ILE 90 N 0.46 0.77 0.11 3.27 2.10 -1.90 0.20 117.51 122.52 1p8a h ILE 90 Ca 0.65 -0.28 -0.28 0.00 1.08 0.00 0.00 64.86 66.03 1p8a h ILE 90 Cb 1.32 -0.12 -0.00 0.00 -1.09 0.00 0.00 36.82 36.93 1p8a h ILE 90 CO -0.53 0.15 -1.33 0.25 -1.08 0.00 0.00 178.15 175.61 1p8a h LEU 91 N 0.82 0.38 -1.54 2.19 5.85 -0.29 -0.18 115.31 122.54 1p8a h LEU 91 Ca 0.55 -0.44 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 1p8a h LEU 91 Cb 0.78 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.69 1p8a h LEU 91 CO -0.33 1.36 -0.00 -1.28 -0.34 0.00 0.00 178.44 177.84 1p8a h SER 92 N 0.07 0.00 0.00 1.25 0.87 0.17 -3.13 113.55 112.77 1p8a h SER 92 Ca -0.16 0.00 -0.36 0.00 -1.23 0.00 0.00 61.79 60.04 1p8a h SER 92 Cb 1.98 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 63.88 1p8a h SER 92 CO 0.18 0.00 -2.28 0.47 -0.53 0.00 0.00 176.83 174.68 1p8a n ASP 93 N -3.10 2.00 -0.33 6.23 8.00 0.57 -4.44 116.55 125.47 1p8a n ASP 93 Ca 0.00 0.07 0.25 0.00 0.71 0.00 0.00 54.79 55.82 1p8a n ASP 93 Cb 0.29 -0.51 0.54 0.00 -0.02 0.00 0.00 41.12 41.43 1p8a n ASP 93 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 1p8a h ILE 94 N -0.39 0.47 0.00 0.53 2.10 -1.08 1.53 117.51 120.67 1p8a h ILE 94 Ca -0.54 -0.12 0.00 0.00 1.08 0.00 0.00 64.86 65.29 1p8a h ILE 94 Cb 1.65 0.11 0.00 0.00 -1.09 0.00 0.00 36.82 37.49 1p8a h ILE 94 CO -0.21 0.06 0.00 -0.46 -1.08 0.00 0.00 178.15 176.46 1p8a n ASN 95 N -4.61 0.21 0.15 2.19 0.23 -1.18 -2.41 115.26 109.84 1p8a n ASN 95 Ca 0.27 0.55 0.02 0.00 -0.53 0.00 0.00 54.58 54.89 1p8a n ASN 95 Cb 0.96 -0.60 0.17 0.00 -2.08 0.00 0.00 39.78 38.23 1p8a n ASN 95 CO 0.00 0.00 0.00 -1.28 -0.93 0.00 0.00 177.26 175.05 1p8a h SER 96 N 0.00 0.00 0.12 0.53 0.87 0.20 -3.30 113.55 111.96 1p8a h SER 96 Ca 0.00 0.00 -0.36 0.00 -1.23 0.00 0.00 61.79 60.20 1p8a h SER 96 Cb 0.29 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.19 1p8a h SER 96 CO 0.00 0.53 -2.22 1.15 -0.53 0.00 0.00 176.83 175.76 1p8a n MET 97 N -3.46 0.68 -1.43 2.24 0.00 -1.01 -4.96 117.12 109.18 1p8a n MET 97 Ca 0.00 0.15 -0.42 0.00 0.00 0.00 0.00 57.70 57.43 1p8a n MET 97 Cb 0.64 -1.61 0.00 0.00 0.00 0.00 0.00 33.22 32.26 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 -3.10 0.48 -0.59 3.17 5.02 -1.08 -4.95 118.16 117.10 1p8a n LYS 98 Ca -0.34 0.17 -0.13 0.00 -2.02 0.00 0.00 58.31 55.99 1p8a n LYS 98 Cb 1.07 -1.42 0.10 0.00 -0.02 0.00 0.00 35.03 34.76 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 0.72 -1.50 0.00 1.97 -0.04 -1.26 -5.01 135.00 129.88 1p8a n PRO 99 Ca 0.12 -0.82 0.01 0.00 -0.04 0.00 0.00 63.50 62.77 1p8a n PRO 99 Cb 0.39 -0.69 0.00 0.00 -0.04 0.00 0.00 33.50 33.16 1p8a n PRO 99 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1p8a n SER 100 N -3.68 0.78 -2.47 3.54 7.64 -1.26 -4.69 113.62 113.48 1p8a n SER 100 Ca 0.07 -0.89 -0.28 0.00 1.01 0.00 0.00 58.87 58.78 1p8a n SER 100 Cb 0.26 0.41 0.01 0.00 -1.01 0.00 0.00 64.21 63.88 1p8a n SER 100 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1p8a n ASN 101 N -0.34 5.03 -0.31 6.43 3.02 -1.26 -5.03 115.26 122.81 1p8a n ASN 101 Ca 0.01 -3.74 0.00 0.00 -0.03 0.00 0.00 54.58 50.83 1p8a n ASN 101 Cb 0.06 -0.51 0.00 0.00 -0.61 0.00 0.00 39.78 38.72 1p8a n ASN 101 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1p8a n ARG 103 N 0.00 1.20 0.00 0.00 0.00 -1.26 -5.10 116.66 111.50 1p8a n ARG 103 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1p8a n ARG 103 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 32.46 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 -3.00 0.00 -3.61 2.89 0.00 -1.26 -4.89 120.51 110.63 1p8a n ALA 104 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 1p8a n ALA 104 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1p8a n ALA 104 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1p8a s LYS 105 N 0.00 0.34 -0.17 0.00 2.20 -1.25 -5.01 119.74 115.84 1p8a s LYS 105 Ca 0.00 0.13 -0.08 0.00 -0.36 0.00 0.00 55.97 55.66 1p8a s LYS 105 Cb 0.00 0.16 -0.04 0.00 -1.51 0.00 0.00 37.83 36.43 1p8a s LYS 105 CO 0.00 -0.09 0.11 0.14 -0.36 0.00 0.00 175.35 175.15 1p8a s VAL 106 N -0.84 5.28 0.09 4.02 -7.23 -1.26 -0.87 120.40 119.59 1p8a s VAL 106 Ca 0.04 0.13 0.00 0.00 -1.81 0.00 0.00 61.98 60.34 1p8a s VAL 106 Cb -0.01 -3.36 -0.04 0.00 0.56 0.00 0.00 36.38 33.52 1p8a s VAL 106 CO -0.04 0.51 -0.02 -0.69 -0.31 0.00 0.00 175.10 174.54 1p8a s VAL 107 N -0.14 0.41 0.35 1.32 1.01 0.66 -4.97 120.40 119.04 1p8a s VAL 107 Ca 0.10 -1.89 -0.18 0.00 0.00 0.00 0.00 61.98 60.01 1p8a s VAL 107 Cb -0.12 -1.73 -0.10 0.00 0.00 0.00 0.00 36.38 34.44 1p8a s VAL 107 CO 0.00 -0.81 0.82 -0.22 0.00 0.00 0.00 175.10 174.89 1p8a s LEU 108 N -3.01 4.06 -0.42 3.92 2.96 -1.26 -1.22 118.68 123.71 1p8a s LEU 108 Ca 0.13 1.46 0.02 0.00 -0.22 0.00 0.00 54.13 55.53 1p8a s LEU 108 Cb 0.07 -4.19 0.15 0.00 0.50 0.00 0.00 46.19 42.72 1p8a s LEU 108 CO -0.05 -0.23 0.28 0.12 -1.32 0.00 0.00 176.35 175.16 1p8a s PHE 109 N -1.99 1.32 -0.28 5.38 5.36 0.15 -4.71 117.98 123.21 1p8a s PHE 109 Ca 0.56 -2.17 -0.28 0.00 -0.96 0.00 0.00 56.93 54.08 1p8a s PHE 109 Cb -0.11 -1.25 0.18 0.00 -0.34 0.00 0.00 43.02 41.51 1p8a s PHE 109 CO 0.17 -0.80 1.34 0.54 -1.46 0.00 0.00 175.22 175.00 1p8a s ASN 110 N 0.37 -0.09 1.02 6.13 4.22 -1.26 -4.40 114.94 120.94 1p8a s ASN 110 Ca 0.24 0.13 -0.16 0.00 -2.14 0.00 0.00 52.86 50.93 1p8a s ASN 110 Cb -0.12 0.11 0.20 0.00 1.28 0.00 0.00 41.25 42.72 1p8a s ASN 110 CO -0.08 -0.06 1.18 -2.16 -2.04 0.00 0.00 177.10 173.94 1p8a s PRO 111 N -0.67 0.21 -0.29 3.55 0.04 -1.26 -4.86 135.00 131.73 1p8a s PRO 111 Ca 0.07 -0.02 -0.05 0.00 0.04 0.00 0.00 61.00 61.05 1p8a s PRO 111 Cb -0.02 -1.76 -0.14 0.00 0.04 0.00 0.00 34.50 32.62 1p8a s PRO 111 CO -0.09 -2.76 2.44 -0.35 0.04 0.00 0.00 177.00 176.28 1p8a n PRO 112 N -4.10 1.59 0.02 0.56 -0.04 -1.26 -3.48 135.00 128.28 1p8a n PRO 112 Ca 0.11 -0.91 0.00 0.00 -0.04 0.00 0.00 63.50 62.67 1p8a n PRO 112 Cb 0.59 -2.01 0.00 0.00 -0.04 0.00 0.00 33.50 32.04 1p8a n PRO 112 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1p8a n ASN 113 N 3.07 -0.14 0.00 3.54 5.03 -1.26 -5.13 115.26 120.37 1p8a n ASN 113 Ca 0.34 0.06 0.00 0.00 0.87 0.00 0.00 54.58 55.85 1p8a n ASN 113 Cb 0.47 0.28 0.00 0.00 -1.02 0.00 0.00 39.78 39.51 1p8a n ASN 113 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1p8a n GLY 114 N 0.60 1.76 3.59 7.41 0.00 -1.23 -5.02 105.19 112.31 1p8a n GLY 114 Ca 0.00 -0.66 -0.46 0.00 0.00 0.00 0.00 46.02 44.90 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 0.01 0.42 -1.37 1.61 0.31 -1.26 -4.61 118.33 113.45 1p8a n VAL 115 Ca 0.00 -0.27 0.17 0.00 -0.01 0.00 0.00 64.34 64.22 1p8a n VAL 115 Cb 0.00 -2.11 -0.07 0.00 -0.91 0.00 0.00 33.84 30.76 1p8a n VAL 115 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1p8a n ASP 116 N 9.30 -7.74 0.00 4.52 -0.08 -1.26 -4.91 116.55 116.38 1p8a n ASP 116 Ca 0.30 0.99 0.00 0.00 -1.51 0.00 0.00 54.79 54.57 1p8a n ASP 116 Cb 0.34 -4.45 0.00 0.00 2.34 0.00 0.00 41.12 39.36 1p8a n ASP 116 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1p8a n ASP 117 N -4.31 0.00 -0.00 1.67 8.00 -1.26 -4.96 116.55 115.69 1p8a n ASP 117 Ca -0.04 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.33 1p8a n ASP 117 Cb 0.66 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.75 1p8a n ASP 117 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1p8a h PRO 118 N 0.00 0.64 -2.94 -0.24 0.13 -1.95 -3.49 132.00 124.14 1p8a h PRO 118 Ca 0.00 -0.48 0.36 0.00 -0.87 0.00 0.00 66.00 65.00 1p8a h PRO 118 Cb 0.00 0.09 -0.09 0.00 0.13 0.00 0.00 31.00 31.12 1p8a h PRO 118 CO 0.00 1.10 -0.50 0.66 -0.23 0.00 0.00 178.00 179.04 1p8a n TYR 119 N -3.92 -3.30 -2.06 1.56 4.01 -1.26 -4.80 117.16 107.39 1p8a n TYR 119 Ca -0.05 1.65 -0.21 0.00 -0.16 0.00 0.00 57.90 59.13 1p8a n TYR 119 Cb 0.69 -3.00 -0.04 0.00 -0.31 0.00 0.00 39.34 36.68 1p8a n TYR 119 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 1p8a n TYR 120 N -3.91 -0.57 -2.68 -0.72 9.36 -1.26 -4.88 117.16 112.50 1p8a n TYR 120 Ca 0.01 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.23 1p8a n TYR 120 Cb 0.65 -3.74 0.00 0.00 -0.63 0.00 0.00 39.34 35.62 1p8a n TYR 120 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1p8a n SER 121 N -1.69 0.00 -1.54 2.98 2.88 -1.26 -5.02 113.62 109.97 1p8a n SER 121 Ca -0.23 -0.48 0.08 0.00 -1.33 0.00 0.00 58.87 56.91 1p8a n SER 121 Cb 0.68 0.00 0.35 0.00 -0.75 0.00 0.00 64.21 64.49 1p8a n SER 121 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1p8a n SER 122 N -0.39 4.97 -1.78 -3.46 3.41 -1.26 -4.52 113.62 110.59 1p8a n SER 122 Ca 0.00 -2.80 -0.15 0.00 -0.26 0.00 0.00 58.87 55.66 1p8a n SER 122 Cb 0.00 -0.61 0.07 0.00 -0.26 0.00 0.00 64.21 63.41 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 0.47 4.87 0.00 4.04 -0.08 -1.26 -4.16 116.55 120.43 1p8a n ASP 123 Ca 0.25 -2.98 0.00 0.00 -1.51 0.00 0.00 54.79 50.55 1p8a n ASP 123 Cb 1.03 -0.85 0.00 0.00 2.34 0.00 0.00 41.12 43.63 1p8a n ASP 123 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1p8a n GLY 124 N -0.09 -0.11 0.25 0.27 0.00 -1.26 -4.29 105.19 99.95 1p8a n GLY 124 Ca 0.32 -0.01 0.03 0.00 0.00 0.00 0.00 46.02 46.37 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 0.23 0.04 1.61 0.04 -1.86 1.14 116.94 118.14 1p8a h PHE 125 Ca 0.00 0.04 -0.00 0.00 2.80 0.00 0.00 57.97 60.81 1p8a h PHE 125 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 1p8a h PHE 125 CO 0.00 -0.06 -0.02 -1.00 -0.60 0.00 0.00 178.31 176.63 1p8a h PRO 126 N 0.26 -0.05 0.49 1.51 0.13 -1.91 -3.08 132.00 129.35 1p8a h PRO 126 Ca 0.37 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.48 1p8a h PRO 126 Cb 0.59 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.73 1p8a h PRO 126 CO -0.46 0.60 -0.28 1.15 -0.23 0.00 0.00 178.00 178.77 1p8a h THR 127 N -0.78 0.42 -0.99 1.56 2.02 -1.73 -0.94 112.91 112.47 1p8a h THR 127 Ca -0.01 0.00 0.31 0.00 0.77 0.00 0.00 66.41 67.48 1p8a h THR 127 Cb 0.67 0.42 -0.15 0.00 -1.74 0.00 0.00 68.15 67.35 1p8a h THR 127 CO 0.01 0.00 0.53 -0.03 0.37 0.00 0.00 175.52 176.40 1p8a h MET 128 N -0.72 0.31 0.39 6.66 -1.53 0.12 0.18 114.93 120.34 1p8a h MET 128 Ca -0.06 -0.02 -0.02 0.00 -3.44 0.00 0.00 59.70 56.16 1p8a h MET 128 Cb 0.58 -0.07 0.00 0.00 -0.55 0.00 0.00 31.60 31.57 1p8a h MET 128 CO 0.07 0.20 -0.19 0.35 0.14 0.00 0.00 176.91 177.49 1p8a h PHE 129 N 0.32 -0.49 -0.79 1.39 3.57 -1.31 0.42 116.94 120.04 1p8a h PHE 129 Ca 0.71 -0.01 0.19 0.00 3.53 0.00 0.00 57.97 62.39 1p8a h PHE 129 Cb 1.60 0.16 -0.14 0.00 2.79 0.00 0.00 35.95 40.36 1p8a h PHE 129 CO -0.04 -0.30 0.03 0.00 -2.23 0.00 0.00 178.31 175.76 1p8a h ALA 130 N -1.34 0.87 -0.25 2.41 0.00 -0.29 0.13 119.26 120.78 1p8a h ALA 130 Ca -0.05 0.25 -0.14 0.00 0.00 0.00 0.00 54.91 54.96 1p8a h ALA 130 Cb 0.40 0.43 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 1p8a h ALA 130 CO 0.09 -0.44 -0.39 0.77 0.00 0.00 0.00 179.25 179.28 1p8a h SER 131 N 0.11 0.78 -0.84 0.00 0.02 -0.72 0.80 113.55 113.69 1p8a h SER 131 Ca 0.44 -0.52 0.17 0.00 -0.84 0.00 0.00 61.79 61.04 1p8a h SER 131 Cb 0.81 -0.22 -0.10 0.00 0.14 0.00 0.00 62.40 63.02 1p8a h SER 131 CO -0.69 1.15 0.38 0.40 -1.14 0.00 0.00 176.83 176.93 1p8a h ILE 132 N 0.43 0.63 0.00 3.27 1.08 0.24 0.41 117.51 123.58 1p8a h ILE 132 Ca 0.02 -0.17 0.00 0.00 -0.39 0.00 0.00 64.86 64.32 1p8a h ILE 132 Cb 0.99 0.08 0.00 0.00 -3.07 0.00 0.00 36.82 34.82 1p8a h ILE 132 CO 0.09 0.09 -0.26 -1.28 -0.69 0.00 0.00 178.15 176.10 1p8a h SER 133 N 0.51 0.00 0.00 1.72 0.87 -1.13 -2.77 113.55 112.74 1p8a h SER 133 Ca 0.48 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.04 1p8a h SER 133 Cb 0.77 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.73 1p8a h SER 133 CO -0.42 0.62 0.37 0.50 -0.53 0.00 0.00 176.83 177.36 1p8a h LYS 134 N -0.98 0.00 0.00 2.24 3.11 -0.79 0.61 116.57 120.76 1p8a h LYS 134 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1p8a h LYS 134 Cb 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.49 1p8a h LYS 134 CO 0.00 0.00 -1.67 -1.91 -2.81 0.00 0.00 179.45 173.06 1p8a n GLU 135 N -2.59 0.54 0.00 1.90 4.07 0.14 -4.17 120.64 120.54 1p8a n GLU 135 Ca -0.01 -0.12 0.11 0.00 -0.06 0.00 0.00 57.16 57.08 1p8a n GLU 135 Cb 0.40 -1.56 0.08 0.00 -0.06 0.00 0.00 31.44 30.30 1p8a n GLU 135 CO 0.00 0.00 0.00 -0.12 -0.06 0.00 0.00 177.13 176.95 1p8a n MET 136 N -2.19 2.00 -0.05 5.31 1.56 0.19 -3.93 117.12 120.02 1p8a n MET 136 Ca -0.02 -1.73 -0.17 0.00 -0.27 0.00 0.00 57.70 55.51 1p8a n MET 136 Cb 0.53 -1.43 -0.13 0.00 2.15 0.00 0.00 33.22 34.34 1p8a n MET 136 CO 0.00 0.00 0.00 0.87 -0.73 0.00 0.00 175.97 176.11 1p8a h LYS 137 N 4.14 0.08 0.00 2.12 1.79 -1.20 -1.85 116.57 121.65 1p8a h LYS 137 Ca 0.00 -0.14 0.00 0.00 -2.18 0.00 0.00 60.65 58.33 1p8a h LYS 137 Cb 0.90 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.61 1p8a h LYS 137 CO 0.00 1.07 0.00 -0.35 -1.08 0.00 0.00 179.45 179.09 1p8a n PRO 138 N -4.41 0.08 -0.06 3.15 -0.04 -1.26 -3.04 135.00 129.42 1p8a n PRO 138 Ca -0.17 0.08 -0.07 0.00 -0.04 0.00 0.00 63.50 63.31 1p8a n PRO 138 Cb 0.63 -1.60 -0.02 0.00 -0.04 0.00 0.00 33.50 32.47 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 -1.74 0.00 0.10 0.54 7.35 -1.25 -3.92 117.46 118.55 1p8a n PHE 139 Ca 0.06 0.00 0.20 0.00 -0.76 0.00 0.00 57.45 56.95 1p8a n PHE 139 Cb 0.36 -0.36 0.74 0.00 0.35 0.00 0.00 39.48 40.57 1p8a n PHE 139 CO 0.00 0.00 0.00 1.25 -0.76 0.00 0.00 176.76 177.25 1p8a h LEU 140 N -0.72 0.00 0.06 -2.13 5.85 -1.50 0.42 115.31 117.29 1p8a h LEU 140 Ca 0.00 0.00 -0.26 0.00 0.84 0.00 0.00 57.88 58.46 1p8a h LEU 140 Cb 0.72 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.78 1p8a h LEU 140 CO 0.00 0.00 -1.06 0.74 -0.34 0.00 0.00 178.44 177.78 1p8a h THR 141 N 0.00 1.31 0.00 1.05 2.02 -1.70 2.53 112.91 118.13 1p8a h THR 141 Ca 0.19 -2.33 0.00 0.00 0.77 0.00 0.00 66.41 65.04 1p8a h THR 141 Cb 1.09 2.60 0.00 0.00 -1.74 0.00 0.00 68.15 70.10 1p8a h THR 141 CO -0.00 0.71 -0.26 -0.62 0.37 0.00 0.00 175.52 175.71 1p8a n GLU 142 N -3.90 0.14 -2.44 6.66 1.02 0.03 -3.22 120.64 118.93 1p8a n GLU 142 Ca -0.12 0.06 -0.41 0.00 -0.02 0.00 0.00 57.16 56.66 1p8a n GLU 142 Cb 0.90 -0.66 0.01 0.00 -0.02 0.00 0.00 31.44 31.67 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 -3.11 2.71 0.00 -0.32 -0.00 0.13 -4.20 115.22 110.43 1p8a n HIS 143 Ca -0.04 -2.64 0.00 0.00 0.46 0.00 0.00 57.72 55.50 1p8a n HIS 143 Cb 0.14 -1.40 0.00 0.00 -0.12 0.00 0.00 29.99 28.60 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 0.53 0.03 0.00 1.57 0.00 -0.83 -4.45 105.19 102.04 1p8a n GLY 144 Ca 0.51 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.52 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 -0.34 0.00 0.00 0.99 7.94 0.56 -4.81 117.00 121.34 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