#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 1.93 0.47 0.00 0.00 -1.26 -5.11 121.76 117.79 1p8a s ALA 2 Ca 0.00 -1.39 -0.24 0.00 0.00 0.00 0.00 51.96 50.33 1p8a s ALA 2 Cb 0.00 -0.21 -0.08 0.00 0.00 0.00 0.00 23.12 22.83 1p8a s ALA 2 CO 0.00 0.29 1.34 -1.91 0.00 0.00 0.00 175.76 175.49 1p8a n GLU 3 N 0.63 1.95 -2.33 0.00 2.13 -1.26 -4.97 120.64 116.80 1p8a n GLU 3 Ca -0.16 0.70 -0.31 0.00 0.66 0.00 0.00 57.16 58.05 1p8a n GLU 3 Cb 0.55 -2.52 -0.02 0.00 0.27 0.00 0.00 31.44 29.73 1p8a n GLU 3 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1p8a s LYS 4 N -2.49 3.76 0.00 5.31 3.01 -1.26 -5.07 119.74 123.00 1p8a s LYS 4 Ca 0.64 0.73 0.00 0.00 -1.01 0.00 0.00 55.97 56.33 1p8a s LYS 4 Cb -0.46 -2.19 0.00 0.00 -1.01 0.00 0.00 37.83 34.18 1p8a s LYS 4 CO 0.55 -0.32 0.00 1.63 0.51 0.00 0.00 175.35 177.72 1p8a n LYS 5 N -1.98 2.43 -3.68 1.68 5.02 -1.26 -4.95 118.16 115.42 1p8a n LYS 5 Ca 0.05 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.20 1p8a n LYS 5 Cb 0.54 0.00 -0.13 0.00 -0.02 0.00 0.00 35.03 35.42 1p8a n LYS 5 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1p8a s ALA 6 N -2.00 -0.50 -0.20 7.82 0.00 -1.26 0.42 121.76 126.04 1p8a s ALA 6 Ca 0.00 0.90 -0.03 0.00 0.00 0.00 0.00 51.96 52.83 1p8a s ALA 6 Cb 0.00 -0.88 -0.01 0.00 0.00 0.00 0.00 23.12 22.23 1p8a s ALA 6 CO 0.00 -0.51 -0.07 0.08 0.00 0.00 0.00 175.76 175.26 1p8a s VAL 7 N 2.08 3.20 -1.12 0.00 1.01 0.06 -0.96 120.40 124.67 1p8a s VAL 7 Ca -0.01 -0.56 -0.12 0.00 0.00 0.00 0.00 61.98 61.28 1p8a s VAL 7 Cb -0.12 -2.43 0.22 0.00 0.00 0.00 0.00 36.38 34.05 1p8a s VAL 7 CO -0.08 0.45 1.23 -0.22 0.00 0.00 0.00 175.10 176.48 1p8a s LEU 8 N 1.24 5.73 0.29 3.92 2.96 0.11 -0.07 118.68 132.86 1p8a s LEU 8 Ca 0.03 -3.18 -0.29 0.00 -0.22 0.00 0.00 54.13 50.47 1p8a s LEU 8 Cb -0.14 -2.30 -0.10 0.00 0.50 0.00 0.00 46.19 44.15 1p8a s LEU 8 CO -0.03 -0.55 1.10 0.72 -1.32 0.00 0.00 176.35 176.26 1p8a s PHE 9 N 0.31 3.56 0.08 5.38 -0.12 0.14 -1.07 117.98 126.25 1p8a s PHE 9 Ca 0.35 1.70 -0.27 0.00 -0.05 0.00 0.00 56.93 58.66 1p8a s PHE 9 Cb -0.07 -3.27 0.09 0.00 -0.63 0.00 0.00 43.02 39.14 1p8a s PHE 9 CO -0.05 -0.55 1.12 0.54 -0.05 0.00 0.00 175.22 176.23 1p8a s VAL 10 N -1.20 0.00 0.24 -2.49 0.11 0.78 -1.07 120.40 116.78 1p8a s VAL 10 Ca 0.45 -0.45 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 1p8a s VAL 10 Cb -0.31 -2.14 0.00 0.00 -1.53 0.00 0.00 36.38 32.40 1p8a s VAL 10 CO 0.40 0.00 0.00 0.00 -3.33 0.00 0.00 175.10 172.17 1p8a n LEU 12 N -3.29 0.00 0.00 0.00 4.77 -1.26 -4.51 117.00 112.71 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 0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 1p8a n LEU 12 CO 0.00 -0.22 0.11 0.61 -1.33 0.00 0.00 177.39 176.55 1p8a n GLY 13 N -0.83 -0.08 2.32 -0.72 0.00 -1.26 -2.92 105.19 101.69 1p8a n GLY 13 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.28 -4.81 -0.10 1.61 4.05 -1.25 -4.20 115.26 110.27 1p8a n ASN 14 Ca 0.00 -0.02 -0.15 0.00 0.45 0.00 0.00 54.58 54.86 1p8a n ASN 14 Cb 0.04 -3.92 -0.14 0.00 1.23 0.00 0.00 39.78 37.00 1p8a n ASN 14 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 177.26 173.83 1p8a n ILE 15 N -4.02 1.48 -0.86 -1.44 5.41 -1.26 -3.42 119.36 115.25 1p8a n ILE 15 Ca -0.19 -0.69 0.08 0.00 1.00 0.00 0.00 62.75 62.95 1p8a n ILE 15 Cb 0.64 -1.07 0.34 0.00 -0.71 0.00 0.00 39.64 38.84 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 0.29 0.66 0.39 0.00 3.00 -1.26 -4.64 116.66 115.10 1p8a n ARG 17 Ca 0.24 0.00 -0.17 0.00 -0.01 0.00 0.00 57.85 57.91 1p8a n ARG 17 Cb 1.01 -0.60 -0.09 0.00 0.00 0.00 0.00 32.46 32.78 1p8a n ARG 17 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1p8a h SER 18 N 0.00 -0.83 0.35 0.55 0.87 -1.78 1.53 113.55 114.24 1p8a h SER 18 Ca 0.00 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1p8a h SER 18 Cb 0.21 0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.38 1p8a h SER 18 CO 0.00 -0.53 0.00 -0.81 -0.53 0.00 0.00 176.83 174.96 1p8a n PRO 19 N -5.47 0.30 -0.08 2.24 -0.04 -1.26 -2.23 135.00 128.45 1p8a n PRO 19 Ca -0.14 0.09 -0.12 0.00 -0.04 0.00 0.00 63.50 63.29 1p8a n PRO 19 Cb 0.40 -1.50 -0.08 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 -1.27 1.65 0.01 0.55 0.00 -0.96 -4.17 120.51 116.33 1p8a n ALA 20 Ca 0.10 -0.72 -0.12 0.00 0.00 0.00 0.00 53.44 52.70 1p8a n ALA 20 Cb 0.15 0.12 0.01 0.00 0.00 0.00 0.00 19.45 19.73 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 0.41 0.53 0.03 0.00 5.08 -1.59 -0.83 114.58 118.20 1p8a h GLU 22 Ca -0.02 -0.16 -0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1p8a h GLU 22 Cb 1.26 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1p8a h GLU 22 CO 0.13 0.67 -0.01 0.78 -1.00 0.00 0.00 179.01 179.57 1p8a h GLY 23 N 0.33 -0.04 0.45 -3.84 0.00 -1.60 -1.08 103.07 97.30 1p8a h GLY 23 Ca 0.09 0.01 0.09 0.00 0.00 0.00 0.00 47.33 47.52 1p8a h GLY 23 CO 0.01 -0.01 0.33 1.19 0.00 0.00 0.00 176.54 178.06 1p8a h ILE 24 N -0.57 0.83 0.16 2.60 6.09 -1.15 0.12 117.51 125.59 1p8a h ILE 24 Ca -0.00 -0.19 -0.01 0.00 -1.37 0.00 0.00 64.86 63.28 1p8a h ILE 24 Cb 0.54 0.22 0.00 0.00 0.47 0.00 0.00 36.82 38.04 1p8a h ILE 24 CO 0.01 0.10 -0.08 0.00 -3.07 0.00 0.00 178.15 175.11 1p8a h ARG 26 N -0.59 0.00 0.00 0.00 2.47 -0.82 0.20 114.38 115.64 1p8a h ARG 26 Ca -0.02 0.00 -0.27 0.00 -1.26 0.00 0.00 59.98 58.42 1p8a h ARG 26 Cb 0.45 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.72 1p8a h ARG 26 CO 0.04 0.00 -1.54 -0.44 0.56 0.00 0.00 179.97 178.58 1p8a h ASP 27 N 0.00 0.00 1.48 7.04 3.32 -0.55 0.46 116.42 128.17 1p8a h ASP 27 Ca 0.10 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.06 1p8a h ASP 27 Cb 0.47 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 1p8a h ASP 27 CO -0.00 1.01 -0.40 -0.03 -1.72 0.00 0.00 179.24 178.09 1p8a h MET 28 N 0.00 0.00 0.00 3.56 4.05 0.58 -3.36 114.93 119.77 1p8a h MET 28 Ca -0.22 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.19 1p8a h MET 28 Cb 1.96 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 32.76 1p8a h MET 28 CO 0.09 0.40 -1.04 1.33 0.23 0.00 0.00 176.91 177.92 1p8a n VAL 29 N -3.24 0.03 0.00 -5.77 0.24 -0.07 -5.06 118.33 104.47 1p8a n VAL 29 Ca 0.02 -0.02 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1p8a n VAL 29 Cb 0.67 -0.34 0.00 0.00 -1.47 0.00 0.00 33.84 32.70 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 2.74 2.59 2.65 7.63 0.00 0.16 -4.76 105.19 116.20 1p8a n GLY 30 Ca -0.01 -0.75 -0.04 0.00 0.00 0.00 0.00 46.02 45.22 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 1.27 -1.02 0.00 1.61 5.68 -1.25 -4.59 116.55 118.25 1p8a n ASP 31 Ca 0.00 -1.48 0.00 0.00 -0.50 0.00 0.00 54.79 52.81 1p8a n ASP 31 Cb 0.00 0.52 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 1p8a n ASP 31 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1p8a n LYS 32 N 1.54 1.79 0.00 0.11 4.76 -1.26 -5.13 118.16 119.97 1p8a n LYS 32 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1p8a n LYS 32 Cb 0.72 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.91 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 -2.01 -0.35 4.77 -1.26 -4.88 117.00 113.28 1p8a n LEU 33 Ca 0.00 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1p8a n LEU 33 Cb 0.00 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1p8a n LEU 33 CO 0.00 0.00 -0.00 2.30 -1.33 0.00 0.00 177.39 178.36 1p8a n ILE 34 N 0.00 0.00 -3.47 -0.08 -6.64 0.17 -4.81 119.36 104.53 1p8a n ILE 34 Ca 0.00 0.00 -0.43 0.00 -1.77 0.00 0.00 62.75 60.55 1p8a n ILE 34 Cb 0.00 -0.01 -0.08 0.00 -1.44 0.00 0.00 39.64 38.11 1p8a n ILE 34 CO 0.00 0.00 0.00 -0.63 -1.77 0.00 0.00 176.55 174.15 1p8a s ILE 35 N -1.50 4.77 -0.03 7.28 1.09 -1.26 -0.76 121.20 130.80 1p8a s ILE 35 Ca 0.01 -1.34 0.01 0.00 -1.10 0.00 0.00 60.65 58.23 1p8a s ILE 35 Cb -0.01 -3.94 0.02 0.00 -1.06 0.00 0.00 42.46 37.47 1p8a s ILE 35 CO 0.01 -0.63 -0.02 -1.81 -0.10 0.00 0.00 174.94 172.39 1p8a s ASP 36 N 2.62 0.55 0.00 3.58 1.01 0.89 -4.84 116.67 120.48 1p8a s ASP 36 Ca 0.04 -0.06 0.02 0.00 0.71 0.00 0.00 52.55 53.25 1p8a s ASP 36 Cb -0.25 -0.23 -0.04 0.00 1.01 0.00 0.00 42.92 43.41 1p8a s ASP 36 CO 0.04 -0.05 -0.01 -0.55 0.21 0.00 0.00 175.17 174.81 1p8a s SER 37 N 0.68 5.02 0.38 0.27 0.15 -1.26 0.24 113.70 119.18 1p8a s SER 37 Ca -0.07 -0.04 0.05 0.00 0.70 0.00 0.00 55.95 56.59 1p8a s SER 37 Cb -0.11 -1.28 -0.02 0.00 -1.71 0.00 0.00 66.02 62.90 1p8a s SER 37 CO -0.01 0.28 0.19 0.00 1.20 0.00 0.00 173.24 174.90 1p8a s ALA 38 N -1.08 2.54 -0.34 5.45 0.00 -0.23 -4.86 121.76 123.24 1p8a s ALA 38 Ca 0.19 -1.52 -0.06 0.00 0.00 0.00 0.00 51.96 50.57 1p8a s ALA 38 Cb -0.11 1.05 0.19 0.00 0.00 0.00 0.00 23.12 24.24 1p8a s ALA 38 CO 0.10 -0.47 0.96 0.00 0.00 0.00 0.00 175.76 176.36 1p8a s ALA 39 N -3.29 -4.02 -1.16 0.00 0.00 -1.25 -3.86 121.76 108.17 1p8a s ALA 39 Ca 0.30 1.03 -0.17 0.00 0.00 0.00 0.00 51.96 53.12 1p8a s ALA 39 Cb 0.02 -2.96 0.12 0.00 0.00 0.00 0.00 23.12 20.30 1p8a s ALA 39 CO 0.20 -2.44 1.47 0.99 0.00 0.00 0.00 175.76 175.98 1p8a s THR 40 N 1.89 4.58 0.00 0.00 2.01 -1.23 -1.43 115.64 121.47 1p8a s THR 40 Ca 0.15 -2.02 0.00 0.00 0.31 0.00 0.00 61.69 60.14 1p8a s THR 40 Cb 0.02 -4.99 0.00 0.00 0.01 0.00 0.00 72.50 67.54 1p8a s THR 40 CO -0.13 -1.76 0.00 -0.24 -0.69 0.00 0.00 174.62 171.80 1p8a n SER 41 N 6.98 0.00 -2.52 3.53 2.88 -1.15 -4.79 113.62 118.56 1p8a n SER 41 Ca 0.37 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.89 1p8a n SER 41 Cb 0.46 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.89 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 -4.75 0.99 0.46 0.00 -1.15 -4.94 105.19 95.80 1p8a n GLY 42 Ca 0.00 0.94 0.00 0.00 0.00 0.00 0.00 46.02 46.96 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 1.86 -0.37 -1.66 1.61 3.72 -1.26 -4.92 117.46 116.45 1p8a n PHE 43 Ca -0.21 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.25 1p8a n PHE 43 Cb 0.33 0.25 0.15 0.00 -0.94 0.00 0.00 39.48 39.27 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 -2.00 0.00 -1.91 1.38 8.25 -1.26 -5.06 115.22 114.62 1p8a n HIS 44 Ca 0.00 -1.16 -0.39 0.00 -0.26 0.00 0.00 57.72 55.91 1p8a n HIS 44 Cb 0.00 -0.20 0.02 0.00 1.12 0.00 0.00 29.99 30.93 1p8a n HIS 44 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 1p8a s VAL 45 N -2.48 2.32 -0.79 1.59 -7.23 -1.26 -2.54 120.40 110.01 1p8a s VAL 45 Ca 0.34 0.26 0.00 0.00 -1.81 0.00 0.00 61.98 60.77 1p8a s VAL 45 Cb 0.33 -3.14 0.00 0.00 0.56 0.00 0.00 36.38 34.13 1p8a s VAL 45 CO -0.06 0.02 0.00 0.61 -0.31 0.00 0.00 175.10 175.36 1p8a n GLY 46 N 0.63 0.10 0.00 2.32 0.00 -1.26 -4.88 105.19 102.10 1p8a n GLY 46 Ca 0.07 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.57 1p8a n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p8a n GLN 47 N -1.95 0.00 -1.50 1.61 10.64 -1.05 -5.15 117.38 119.98 1p8a n GLN 47 Ca -0.11 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.06 1p8a n GLN 47 Cb 0.55 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.93 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 -6.38 -3.95 2.61 2.88 -1.25 -4.63 113.62 102.90 1p8a n SER 48 Ca 0.00 0.88 -0.38 0.00 -1.33 0.00 0.00 58.87 58.04 1p8a n SER 48 Cb 0.00 -3.55 -0.06 0.00 -0.75 0.00 0.00 64.21 59.84 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 1.19 1.41 -0.95 -1.46 -0.04 -1.26 -4.68 135.00 129.21 1p8a n PRO 49 Ca 0.00 -2.00 -0.20 0.00 -0.04 0.00 0.00 63.50 61.26 1p8a n PRO 49 Cb 0.00 -3.18 0.10 0.00 -0.04 0.00 0.00 33.50 30.38 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 10.13 4.84 0.22 3.54 2.03 -1.26 -4.34 116.55 131.71 1p8a n ASP 50 Ca 0.48 -3.24 0.09 0.00 0.52 0.00 0.00 54.79 52.64 1p8a n ASP 50 Cb 0.43 -0.85 0.43 0.00 -0.72 0.00 0.00 41.12 40.41 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 0.82 0.60 0.09 5.18 1.35 -1.98 -1.45 112.91 117.51 1p8a h THR 51 Ca 0.45 -1.18 -0.00 0.00 -0.55 0.00 0.00 66.41 65.12 1p8a h THR 51 Cb 1.79 1.80 0.00 0.00 -1.73 0.00 0.00 68.15 70.00 1p8a h THR 51 CO 0.92 0.24 -0.04 0.03 -0.25 0.00 0.00 175.52 176.42 1p8a h ARG 52 N 0.00 -0.11 0.02 4.72 -0.00 -1.99 0.56 114.38 117.57 1p8a h ARG 52 Ca -0.00 0.01 -0.00 0.00 -0.50 0.00 0.00 59.98 59.48 1p8a h ARG 52 Cb 0.78 0.03 0.00 0.00 0.00 0.00 0.00 29.97 30.77 1p8a h ARG 52 CO 0.03 0.39 -0.01 1.03 0.00 0.00 0.00 179.97 181.42 1p8a h SER 53 N -0.72 -0.02 -0.63 7.04 0.87 -1.87 -1.12 113.55 117.10 1p8a h SER 53 Ca -0.01 -0.13 0.02 0.00 -1.23 0.00 0.00 61.79 60.44 1p8a h SER 53 Cb 0.56 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.49 1p8a h SER 53 CO 0.02 0.12 0.39 1.56 -0.53 0.00 0.00 176.83 178.39 1p8a h GLN 54 N -0.15 0.76 0.09 2.24 1.08 -1.35 0.62 115.11 118.41 1p8a h GLN 54 Ca -0.00 -0.05 -0.00 0.00 -1.45 0.00 0.00 58.65 57.15 1p8a h GLN 54 Cb 0.14 -0.17 -0.00 0.00 -0.05 0.00 0.00 27.48 27.40 1p8a h GLN 54 CO 0.00 0.50 -0.07 -0.22 -0.95 0.00 0.00 178.83 178.10 1p8a h LYS 55 N 0.78 -0.15 -1.10 1.46 3.64 -0.61 -0.89 116.57 119.70 1p8a h LYS 55 Ca 0.25 0.01 0.30 0.00 -1.27 0.00 0.00 60.65 59.94 1p8a h LYS 55 Cb -0.00 0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 31.77 1p8a h LYS 55 CO -0.09 -0.10 0.74 -0.39 -2.27 0.00 0.00 179.45 177.34 1p8a h VAL 56 N -0.15 0.46 0.11 2.00 -1.51 -1.15 0.23 116.25 116.23 1p8a h VAL 56 Ca -0.01 -0.08 0.01 0.00 -1.23 0.00 0.00 66.70 65.39 1p8a h VAL 56 Cb 0.13 0.22 -0.01 0.00 -2.13 0.00 0.00 31.29 29.49 1p8a h VAL 56 CO 0.00 0.04 -0.12 0.00 -1.23 0.00 0.00 177.57 176.26 1p8a n LYS 58 N -5.25 0.20 0.02 0.00 5.02 0.49 -0.11 118.16 118.53 1p8a n LYS 58 Ca -0.07 0.26 0.11 0.00 -2.02 0.00 0.00 58.31 56.59 1p8a n LYS 58 Cb 0.17 -1.77 0.10 0.00 -0.02 0.00 0.00 35.03 33.51 1p8a n LYS 58 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1p8a n SER 59 N -2.12 0.63 -0.01 4.39 7.64 0.52 -4.32 113.62 120.35 1p8a n SER 59 Ca 0.04 -0.30 -0.01 0.00 1.01 0.00 0.00 58.87 59.61 1p8a n SER 59 Cb 0.34 0.55 -0.02 0.00 -1.01 0.00 0.00 64.21 64.07 1p8a n SER 59 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1p8a n ASN 60 N -1.74 4.26 0.00 6.43 2.85 0.18 -5.02 115.26 122.21 1p8a n ASN 60 Ca 0.04 -0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.51 1p8a n ASN 60 Cb 0.38 0.53 0.00 0.00 1.24 0.00 0.00 39.78 41.94 1p8a n ASN 60 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1p8a n GLY 61 N 2.85 0.66 3.58 8.20 0.00 0.85 -5.07 105.19 116.26 1p8a n GLY 61 Ca -0.05 -0.08 -0.03 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 0.00 -0.85 0.02 1.61 1.01 0.47 -4.39 120.40 118.26 1p8a s VAL 62 Ca 0.00 0.03 -0.19 0.00 0.00 0.00 0.00 61.98 61.82 1p8a s VAL 62 Cb 0.00 -0.94 -0.06 0.00 0.00 0.00 0.00 36.38 35.38 1p8a s VAL 62 CO 0.00 0.01 0.54 -1.81 0.00 0.00 0.00 175.10 173.84 1p8a s ASP 63 N 2.74 6.95 -0.18 3.32 1.11 -1.26 -4.15 116.67 125.19 1p8a s ASP 63 Ca -0.06 1.13 -0.25 0.00 0.18 0.00 0.00 52.55 53.55 1p8a s ASP 63 Cb -0.11 -2.33 0.07 0.00 1.07 0.00 0.00 42.92 41.61 1p8a s ASP 63 CO -0.18 0.20 0.66 0.27 1.18 0.00 0.00 175.17 177.30 1p8a s ILE 64 N -0.64 0.00 -0.02 0.77 -4.36 -1.26 -3.52 121.20 112.16 1p8a s ILE 64 Ca 0.28 -0.02 0.01 0.00 -0.26 0.00 0.00 60.65 60.66 1p8a s ILE 64 Cb -0.18 -0.94 0.03 0.00 1.25 0.00 0.00 42.46 42.62 1p8a s ILE 64 CO 0.16 -0.01 0.66 -1.54 0.24 0.00 0.00 174.94 174.45 1p8a n SER 65 N 2.09 -0.63 0.00 4.36 3.41 -1.26 -5.05 113.62 116.55 1p8a n SER 65 Ca -0.16 -1.25 0.00 0.00 -0.26 0.00 0.00 58.87 57.20 1p8a n SER 65 Cb 0.56 0.21 0.00 0.00 -0.26 0.00 0.00 64.21 64.71 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 -0.11 0.00 -2.46 4.33 4.76 -1.26 -5.14 118.16 118.28 1p8a n LYS 66 Ca -0.16 0.00 -0.03 0.00 -2.87 0.00 0.00 58.31 55.25 1p8a n LYS 66 Cb 0.54 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.71 1p8a n LYS 66 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1p8a n GLN 67 N -1.95 -4.95 -2.94 1.97 3.00 -1.26 -4.97 117.38 106.28 1p8a n GLN 67 Ca 0.00 3.65 -0.21 0.00 -0.01 0.00 0.00 57.00 60.43 1p8a n GLN 67 Cb 0.00 -4.90 -0.02 0.00 0.00 0.00 0.00 30.24 25.32 1p8a n GLN 67 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.06 179.95 1p8a n ARG 68 N 1.78 2.07 -1.53 -1.09 0.00 -1.26 -4.99 116.66 111.64 1p8a n ARG 68 Ca -0.20 -4.01 -0.51 0.00 -0.00 0.00 0.00 57.85 53.14 1p8a n ARG 68 Cb 0.31 -1.89 -0.05 0.00 -0.00 0.00 0.00 32.46 30.83 1p8a n ARG 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1p8a n ALA 69 N -0.04 -1.77 -3.51 2.89 0.00 -1.26 -4.95 120.51 111.86 1p8a n ALA 69 Ca 0.26 0.49 -0.10 0.00 0.00 0.00 0.00 53.44 54.09 1p8a n ALA 69 Cb 0.59 -1.89 -0.03 0.00 0.00 0.00 0.00 19.45 18.12 1p8a n ALA 69 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1p8a s ARG 70 N -0.42 0.84 0.13 0.00 1.70 -1.26 -4.52 118.95 115.41 1p8a s ARG 70 Ca 0.75 -0.17 -0.30 0.00 -0.47 0.00 0.00 55.73 55.54 1p8a s ARG 70 Cb -0.95 0.39 -0.06 0.00 -0.57 0.00 0.00 34.95 33.75 1p8a s ARG 70 CO 0.54 -0.34 0.99 1.14 -1.08 0.00 0.00 175.30 176.55 1p8a s GLN 71 N -2.58 4.69 0.77 3.89 -2.07 -1.25 -3.91 119.66 119.19 1p8a s GLN 71 Ca 0.02 1.50 -0.14 0.00 -1.82 0.00 0.00 55.36 54.92 1p8a s GLN 71 Cb -0.01 -3.35 0.06 0.00 -1.09 0.00 0.00 33.01 28.62 1p8a s GLN 71 CO -0.05 0.20 1.22 -1.50 -1.32 0.00 0.00 175.29 173.84 1p8a s ILE 72 N -0.10 2.08 0.04 3.63 2.07 -0.51 -4.92 121.20 123.50 1p8a s ILE 72 Ca 0.47 0.04 0.00 0.00 -1.41 0.00 0.00 60.65 59.75 1p8a s ILE 72 Cb -0.25 -2.57 0.00 0.00 0.13 0.00 0.00 42.46 39.77 1p8a s ILE 72 CO 0.31 -0.02 0.00 0.35 -1.91 0.00 0.00 174.94 173.66 1p8a n THR 73 N -2.97 0.51 0.00 4.00 -2.24 -1.26 -4.98 114.28 107.34 1p8a n THR 73 Ca 0.14 0.17 0.00 0.00 -2.27 0.00 0.00 64.05 62.09 1p8a n THR 73 Cb 0.50 -1.22 0.00 0.00 -2.10 0.00 0.00 70.33 67.51 1p8a n THR 73 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1p8a n LYS 74 N -2.92 0.00 0.19 -0.78 2.85 -1.26 -4.93 118.16 111.30 1p8a n LYS 74 Ca 0.00 0.00 0.12 0.00 -1.05 0.00 0.00 58.31 57.38 1p8a n LYS 74 Cb 0.00 0.00 0.65 0.00 -0.65 0.00 0.00 35.03 35.03 1p8a n LYS 74 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1p8a h ALA 75 N 0.00 1.02 0.00 0.58 0.00 -2.01 -1.46 119.26 117.38 1p8a h ALA 75 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1p8a h ALA 75 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1p8a h ALA 75 CO 0.00 -0.02 -0.01 -0.44 0.00 0.00 0.00 179.25 178.78 1p8a h ASP 76 N 0.00 0.00 -0.31 0.00 5.19 -1.96 0.82 116.42 120.16 1p8a h ASP 76 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1p8a h ASP 76 Cb 0.05 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.56 1p8a h ASP 76 CO 0.00 0.01 0.00 0.49 -3.12 0.00 0.00 179.24 176.62 1p8a n PHE 77 N -3.53 0.46 0.08 4.55 3.72 -0.55 -4.02 117.46 118.16 1p8a n PHE 77 Ca -0.03 -0.22 0.00 0.00 -0.05 0.00 0.00 57.45 57.15 1p8a n PHE 77 Cb 0.10 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.62 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 0.42 0.34 -0.04 4.37 2.88 0.19 -3.90 113.62 117.87 1p8a n SER 78 Ca 0.11 0.25 0.23 0.00 -1.33 0.00 0.00 58.87 58.13 1p8a n SER 78 Cb 0.29 0.04 0.55 0.00 -0.75 0.00 0.00 64.21 64.34 1p8a n SER 78 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1p8a h LYS 79 N 0.00 0.00 -5.19 -1.46 1.63 -1.50 -3.39 116.57 106.66 1p8a h LYS 79 Ca 0.00 0.00 -0.37 0.00 -0.85 0.00 0.00 60.65 59.43 1p8a h LYS 79 Cb 0.00 0.00 -0.18 0.00 -0.60 0.00 0.00 32.23 31.45 1p8a h LYS 79 CO 0.00 0.00 -0.75 -0.06 -3.45 0.00 0.00 179.45 175.19 1p8a s PHE 80 N -4.45 1.21 -0.03 1.91 0.08 -1.26 -4.87 117.98 110.57 1p8a s PHE 80 Ca -0.03 -0.59 0.17 0.00 0.12 0.00 0.00 56.93 56.60 1p8a s PHE 80 Cb 0.13 -0.65 -0.26 0.00 -0.57 0.00 0.00 43.02 41.67 1p8a s PHE 80 CO 0.46 0.07 0.35 -3.47 -0.10 0.00 0.00 175.22 172.53 1p8a n ASP 81 N 0.66 1.03 -4.24 1.36 -0.08 -1.18 -4.69 116.55 109.40 1p8a n ASP 81 Ca -0.17 0.00 -0.29 0.00 -1.51 0.00 0.00 54.79 52.82 1p8a n ASP 81 Cb 0.57 1.72 -0.16 0.00 2.34 0.00 0.00 41.12 45.59 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 -3.14 1.84 -0.02 5.18 1.01 -0.14 -0.48 120.40 124.66 1p8a s VAL 82 Ca -0.06 -0.97 0.06 0.00 0.00 0.00 0.00 61.98 61.00 1p8a s VAL 82 Cb 0.11 -1.54 -0.01 0.00 0.00 0.00 0.00 36.38 34.93 1p8a s VAL 82 CO 0.72 0.52 -0.20 -0.63 0.00 0.00 0.00 175.10 175.51 1p8a s ILE 83 N -0.33 1.58 -0.12 2.22 1.01 0.11 0.10 121.20 125.76 1p8a s ILE 83 Ca 0.03 -0.84 0.03 0.00 0.00 0.00 0.00 60.65 59.87 1p8a s ILE 83 Cb -0.11 -1.32 0.01 0.00 0.01 0.00 0.00 42.46 41.05 1p8a s ILE 83 CO 0.01 0.45 -0.20 0.00 0.00 0.00 0.00 174.94 175.19 1p8a s ALA 84 N -0.35 2.06 0.13 9.38 0.00 -0.23 0.11 121.76 132.87 1p8a s ALA 84 Ca 0.05 -0.96 0.06 0.00 0.00 0.00 0.00 51.96 51.10 1p8a s ALA 84 Cb -0.09 -0.91 -0.04 0.00 0.00 0.00 0.00 23.12 22.08 1p8a s ALA 84 CO 0.00 0.02 0.03 0.00 0.00 0.00 0.00 175.76 175.81 1p8a s ALA 85 N 0.78 3.33 -0.21 0.00 0.00 -0.33 -0.16 121.76 125.17 1p8a s ALA 85 Ca -0.09 -1.20 -0.08 0.00 0.00 0.00 0.00 51.96 50.59 1p8a s ALA 85 Cb -0.16 -1.18 -0.19 0.00 0.00 0.00 0.00 23.12 21.59 1p8a s ALA 85 CO 0.00 0.60 -0.01 -0.11 0.00 0.00 0.00 175.76 176.25 1p8a n LEU 86 N 0.19 2.50 -4.93 0.00 7.94 0.14 0.24 117.00 123.08 1p8a n LEU 86 Ca -0.10 0.15 -0.19 0.00 -1.11 0.00 0.00 56.01 54.76 1p8a n LEU 86 Cb 0.53 -0.96 -0.02 0.00 0.53 0.00 0.00 43.42 43.50 1p8a n LEU 86 CO 0.40 0.74 0.04 -0.62 -1.11 0.00 0.00 177.39 176.84 1p8a s ASP 87 N -6.93 5.37 -0.10 1.96 2.15 -1.26 -4.35 116.67 113.51 1p8a s ASP 87 Ca -0.31 -0.55 -0.25 0.00 0.43 0.00 0.00 52.55 51.87 1p8a s ASP 87 Cb 0.09 -0.73 -0.28 0.00 -0.30 0.00 0.00 42.92 41.70 1p8a s ASP 87 CO 0.63 -0.62 0.77 1.56 -0.17 0.00 0.00 175.17 177.35 1p8a h GLN 88 N 0.93 0.14 -0.68 4.34 1.08 -1.93 -3.33 115.11 115.66 1p8a h GLN 88 Ca -0.42 -0.24 0.07 0.00 -1.45 0.00 0.00 58.65 56.61 1p8a h GLN 88 Cb 1.27 0.09 -0.10 0.00 -0.05 0.00 0.00 27.48 28.69 1p8a h GLN 88 CO 0.53 1.12 -0.55 1.03 -0.95 0.00 0.00 178.83 180.00 1p8a h SER 89 N -0.69 -1.94 -1.15 1.46 0.87 -1.96 0.77 113.55 110.90 1p8a h SER 89 Ca -0.10 0.28 0.33 0.00 -1.23 0.00 0.00 61.79 61.07 1p8a h SER 89 Cb 1.34 0.83 -0.10 0.00 -0.44 0.00 0.00 62.40 64.03 1p8a h SER 89 CO 0.05 -0.33 0.75 -0.29 -0.53 0.00 0.00 176.83 176.49 1p8a h ILE 90 N -0.21 0.38 -0.11 2.23 2.10 -1.79 0.19 117.51 120.30 1p8a h ILE 90 Ca 0.13 -0.09 -0.09 0.00 1.08 0.00 0.00 64.86 65.89 1p8a h ILE 90 Cb 0.52 0.11 0.00 0.00 -1.09 0.00 0.00 36.82 36.36 1p8a h ILE 90 CO -0.75 0.05 -0.28 0.25 -1.08 0.00 0.00 178.15 176.33 1p8a h LEU 91 N 0.25 0.43 -1.73 2.19 5.85 0.37 0.37 115.31 123.04 1p8a h LEU 91 Ca 0.66 -0.59 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 1p8a h LEU 91 Cb 1.94 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.84 1p8a h LEU 91 CO -0.30 0.94 -0.09 -1.28 -0.34 0.00 0.00 178.44 177.38 1p8a h SER 92 N -0.06 0.06 0.00 1.25 0.87 0.86 -1.94 113.55 114.58 1p8a h SER 92 Ca -0.00 -0.01 -0.13 0.00 -1.23 0.00 0.00 61.79 60.42 1p8a h SER 92 Cb 0.89 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.82 1p8a h SER 92 CO 0.06 0.15 -0.87 0.44 -0.53 0.00 0.00 176.83 176.08 1p8a h ASP 93 N 0.06 0.00 -1.03 6.23 3.32 -1.04 -3.18 116.42 120.78 1p8a h ASP 93 Ca 0.01 -0.36 0.25 0.00 0.02 0.00 0.00 57.03 56.96 1p8a h ASP 93 Cb 0.19 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 39.65 1p8a h ASP 93 CO 0.01 1.17 0.65 -0.29 -1.72 0.00 0.00 179.24 179.06 1p8a h ILE 94 N -1.00 0.54 0.00 0.35 2.10 -0.27 0.94 117.51 120.18 1p8a h ILE 94 Ca -0.20 -0.16 0.00 0.00 1.08 0.00 0.00 64.86 65.59 1p8a h ILE 94 Cb 0.96 0.05 0.00 0.00 -1.09 0.00 0.00 36.82 36.74 1p8a h ILE 94 CO -0.12 0.08 0.00 -1.13 -1.08 0.00 0.00 178.15 175.90 1p8a h ASN 95 N 0.46 0.00 0.26 2.19 -1.24 -1.51 -3.05 115.58 112.69 1p8a h ASN 95 Ca 0.60 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.61 1p8a h ASN 95 Cb 1.40 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.45 1p8a h ASN 95 CO -0.33 0.00 -0.16 -0.24 -1.29 0.00 0.00 177.43 175.41 1p8a n SER 96 N -2.49 0.80 -0.00 1.15 2.88 0.32 -3.71 113.62 112.57 1p8a n SER 96 Ca 0.05 -0.82 0.03 0.00 -1.33 0.00 0.00 58.87 56.81 1p8a n SER 96 Cb 0.45 0.02 -0.04 0.00 -0.75 0.00 0.00 64.21 63.89 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 -0.71 3.92 -1.77 -1.46 0.00 -0.92 -5.02 117.12 111.17 1p8a n MET 97 Ca 0.14 -0.01 -0.38 0.00 0.00 0.00 0.00 57.70 57.45 1p8a n MET 97 Cb 0.31 -0.89 0.04 0.00 0.00 0.00 0.00 33.22 32.68 1p8a n MET 97 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 1p8a s LYS 98 N -1.81 3.14 0.21 3.17 1.02 -1.17 -5.00 119.74 119.30 1p8a s LYS 98 Ca 0.02 2.26 -0.04 0.00 0.02 0.00 0.00 55.97 58.23 1p8a s LYS 98 Cb 0.05 -2.27 0.05 0.00 -0.52 0.00 0.00 37.83 35.15 1p8a s LYS 98 CO 0.30 -1.20 0.21 -0.35 -0.92 0.00 0.00 175.35 173.39 1p8a n PRO 99 N -1.02 -1.04 0.00 -1.68 -0.04 -1.26 -4.98 135.00 124.99 1p8a n PRO 99 Ca 0.10 -0.33 0.11 0.00 -0.04 0.00 0.00 63.50 63.34 1p8a n PRO 99 Cb 0.45 -0.28 -0.02 0.00 -0.04 0.00 0.00 33.50 33.60 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 -3.28 1.87 -3.00 3.54 2.88 -1.26 -4.51 113.62 109.85 1p8a n SER 100 Ca 0.03 -1.43 -0.23 0.00 -1.33 0.00 0.00 58.87 55.91 1p8a n SER 100 Cb 0.11 0.56 -0.03 0.00 -0.75 0.00 0.00 64.21 64.10 1p8a n SER 100 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1p8a n ASN 101 N -0.26 3.00 -4.79 -3.46 0.23 -1.26 -5.09 115.26 103.63 1p8a n ASN 101 Ca 0.08 -3.40 -0.22 0.00 -0.53 0.00 0.00 54.58 50.51 1p8a n ASN 101 Cb 0.45 -0.58 0.09 0.00 -2.08 0.00 0.00 39.78 37.65 1p8a n ASN 101 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1p8a n ARG 103 N -2.65 0.00 -1.94 0.00 3.00 -1.26 -5.10 116.66 108.71 1p8a n ARG 103 Ca 0.13 -0.81 -0.02 0.00 -0.01 0.00 0.00 57.85 57.14 1p8a n ARG 103 Cb 0.60 -0.49 -0.00 0.00 0.00 0.00 0.00 32.46 32.57 1p8a n ARG 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1p8a n ALA 104 N 0.00 0.05 -3.03 7.54 0.00 -1.25 -4.89 120.51 118.94 1p8a n ALA 104 Ca 0.00 -0.19 -0.11 0.00 0.00 0.00 0.00 53.44 53.14 1p8a n ALA 104 Cb 0.63 0.09 -0.09 0.00 0.00 0.00 0.00 19.45 20.08 1p8a n ALA 104 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1p8a s LYS 105 N -2.17 0.60 0.06 0.00 1.02 0.37 -4.99 119.74 114.63 1p8a s LYS 105 Ca 0.01 -0.46 0.08 0.00 0.02 0.00 0.00 55.97 55.62 1p8a s LYS 105 Cb -0.00 0.25 -0.03 0.00 -0.52 0.00 0.00 37.83 37.53 1p8a s LYS 105 CO 0.01 -0.16 -0.20 0.08 -0.92 0.00 0.00 175.35 174.16 1p8a s VAL 106 N -1.86 2.65 0.09 3.17 1.01 -1.26 0.06 120.40 124.26 1p8a s VAL 106 Ca -0.11 -1.30 -0.06 0.00 0.00 0.00 0.00 61.98 60.51 1p8a s VAL 106 Cb -0.04 -2.12 -0.01 0.00 0.00 0.00 0.00 36.38 34.20 1p8a s VAL 106 CO -0.00 0.29 0.14 0.68 0.00 0.00 0.00 175.10 176.21 1p8a s VAL 107 N -0.94 0.15 0.15 2.92 -7.23 0.12 -4.88 120.40 110.68 1p8a s VAL 107 Ca 0.15 -1.41 -0.19 0.00 -1.81 0.00 0.00 61.98 58.71 1p8a s VAL 107 Cb -0.10 -1.50 -0.07 0.00 0.56 0.00 0.00 36.38 35.26 1p8a s VAL 107 CO 0.05 -0.67 0.65 -0.22 -0.31 0.00 0.00 175.10 174.61 1p8a s LEU 108 N -2.90 4.43 -0.22 1.32 2.96 -1.26 -1.18 118.68 121.83 1p8a s LEU 108 Ca 0.09 1.34 -0.12 0.00 -0.22 0.00 0.00 54.13 55.22 1p8a s LEU 108 Cb 0.06 -3.28 -0.18 0.00 0.50 0.00 0.00 46.19 43.28 1p8a s LEU 108 CO -0.08 0.14 0.01 0.33 -1.32 0.00 0.00 176.35 175.43 1p8a n PHE 109 N 1.16 0.61 -4.27 5.38 -0.00 0.14 -4.77 117.46 115.71 1p8a n PHE 109 Ca -0.06 0.20 -0.15 0.00 -0.00 0.00 0.00 57.45 57.44 1p8a n PHE 109 Cb 0.51 -1.07 -0.10 0.00 -0.00 0.00 0.00 39.48 38.82 1p8a n PHE 109 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.76 175.96 1p8a s ASN 110 N -7.01 1.86 0.89 -2.13 0.01 -1.26 -4.96 114.94 102.34 1p8a s ASN 110 Ca -0.31 -1.06 -0.12 0.00 -0.71 0.00 0.00 52.86 50.66 1p8a s ASN 110 Cb 0.09 -0.01 0.13 0.00 0.41 0.00 0.00 41.25 41.86 1p8a s ASN 110 CO 0.61 -0.36 1.14 -2.16 -1.51 0.00 0.00 177.10 174.81 1p8a s PRO 111 N -3.77 1.30 -0.01 -0.60 0.04 -1.26 -4.87 135.00 125.83 1p8a s PRO 111 Ca 0.20 0.31 -0.04 0.00 0.04 0.00 0.00 61.00 61.50 1p8a s PRO 111 Cb 0.03 -1.86 -0.19 0.00 0.04 0.00 0.00 34.50 32.52 1p8a s PRO 111 CO 0.03 -2.09 2.75 -0.35 0.04 0.00 0.00 177.00 177.37 1p8a n PRO 112 N -3.70 1.45 -0.09 0.56 -0.04 -1.26 -3.96 135.00 127.96 1p8a n PRO 112 Ca 0.07 -0.73 -0.12 0.00 -0.04 0.00 0.00 63.50 62.67 1p8a n PRO 112 Cb 0.59 -1.87 -0.10 0.00 -0.04 0.00 0.00 33.50 32.09 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 2.65 2.22 0.00 3.54 2.85 -1.26 -5.05 115.26 120.21 1p8a n ASN 113 Ca 0.31 -0.08 0.00 0.00 -0.11 0.00 0.00 54.58 54.70 1p8a n ASN 113 Cb 0.66 -0.07 0.00 0.00 1.24 0.00 0.00 39.78 41.61 1p8a n ASN 113 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1p8a n GLY 114 N 2.46 0.63 0.03 8.20 0.00 -1.25 -5.06 105.19 110.19 1p8a n GLY 114 Ca -0.33 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 0.00 0.00 -4.23 1.61 0.31 -1.26 -4.76 118.33 110.00 1p8a n VAL 115 Ca 0.00 -0.49 -0.16 0.00 -0.01 0.00 0.00 64.34 63.68 1p8a n VAL 115 Cb 0.00 1.01 -0.11 0.00 -0.91 0.00 0.00 33.84 33.84 1p8a n VAL 115 CO 0.00 0.00 0.00 1.51 -1.32 0.00 0.00 176.83 177.02 1p8a s ASP 116 N -0.45 1.79 -0.25 4.52 -4.77 -1.26 -4.40 116.67 111.85 1p8a s ASP 116 Ca 0.01 -0.87 -0.30 0.00 -3.30 0.00 0.00 52.55 48.09 1p8a s ASP 116 Cb 0.01 -0.03 0.17 0.00 -1.09 0.00 0.00 42.92 41.98 1p8a s ASP 116 CO 0.02 -0.23 1.25 1.51 0.70 0.00 0.00 175.17 178.42 1p8a s ASP 117 N -2.67 -0.13 0.00 2.11 1.47 -1.26 -5.09 116.67 111.10 1p8a s ASP 117 Ca 0.10 0.14 0.00 0.00 1.18 0.00 0.00 52.55 53.97 1p8a s ASP 117 Cb -0.02 0.11 0.00 0.00 -0.34 0.00 0.00 42.92 42.67 1p8a s ASP 117 CO 0.02 -0.13 0.00 -0.81 0.68 0.00 0.00 175.17 174.93 1p8a n PRO 118 N 0.57 0.00 0.00 2.11 -0.04 -1.26 -4.81 135.00 131.56 1p8a n PRO 118 Ca -0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 1p8a n PRO 118 Cb 0.59 -0.17 0.00 0.00 -0.04 0.00 0.00 33.50 33.87 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 -1.59 0.54 4.01 -1.26 -4.94 117.16 113.92 1p8a n TYR 119 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1p8a n TYR 119 Cb 0.00 -0.10 0.00 0.00 -0.31 0.00 0.00 39.34 38.93 1p8a n TYR 119 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1p8a n TYR 120 N -2.35 -4.19 0.00 -0.72 4.02 -1.26 -4.77 117.16 107.89 1p8a n TYR 120 Ca 0.00 2.27 0.00 0.00 -0.01 0.00 0.00 57.90 60.16 1p8a n TYR 120 Cb 0.00 -3.51 0.00 0.00 -0.02 0.00 0.00 39.34 35.81 1p8a n TYR 120 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1p8a n SER 121 N -2.61 0.00 -0.56 7.72 7.64 -1.26 -4.81 113.62 119.74 1p8a n SER 121 Ca 0.00 0.53 -0.01 0.00 1.01 0.00 0.00 58.87 60.40 1p8a n SER 121 Cb 0.47 -0.03 -0.01 0.00 -1.01 0.00 0.00 64.21 63.63 1p8a n SER 121 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1p8a n SER 122 N -0.64 -0.13 -2.09 6.43 3.41 -1.26 -4.93 113.62 114.41 1p8a n SER 122 Ca 0.00 -1.13 -0.13 0.00 -0.26 0.00 0.00 58.87 57.36 1p8a n SER 122 Cb 0.00 0.04 0.26 0.00 -0.26 0.00 0.00 64.21 64.25 1p8a n SER 122 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1p8a n ASP 123 N 0.00 4.43 0.00 4.04 8.00 -1.26 -4.42 116.55 127.35 1p8a n ASP 123 Ca -0.04 -3.38 0.00 0.00 0.71 0.00 0.00 54.79 52.09 1p8a n ASP 123 Cb 0.53 -0.78 0.00 0.00 -0.02 0.00 0.00 41.12 40.84 1p8a n ASP 123 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1p8a n GLY 124 N -0.53 0.00 0.28 0.44 0.00 -1.26 -4.60 105.19 99.51 1p8a n GLY 124 Ca 0.48 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.57 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 0.12 0.38 1.61 0.04 -1.92 0.82 116.94 117.98 1p8a h PHE 125 Ca 0.00 0.05 -0.02 0.00 2.80 0.00 0.00 57.97 60.80 1p8a h PHE 125 Cb 0.30 0.07 0.00 0.00 2.20 0.00 0.00 35.95 38.52 1p8a h PHE 125 CO 0.00 -0.18 -0.18 -1.00 -0.60 0.00 0.00 178.31 176.34 1p8a h PRO 126 N 0.17 -0.49 -0.51 1.51 0.13 -1.88 -3.23 132.00 127.70 1p8a h PRO 126 Ca 0.43 0.03 0.10 0.00 -0.87 0.00 0.00 66.00 65.69 1p8a h PRO 126 Cb 0.77 0.11 -0.08 0.00 0.13 0.00 0.00 31.00 31.93 1p8a h PRO 126 CO -0.61 -0.30 0.04 1.79 -0.23 0.00 0.00 178.00 178.70 1p8a h THR 127 N -1.12 0.64 0.00 1.56 1.35 -1.73 -0.42 112.91 113.20 1p8a h THR 127 Ca -0.05 -0.06 0.00 0.00 -0.55 0.00 0.00 66.41 65.75 1p8a h THR 127 Cb 0.42 0.46 0.00 0.00 -1.73 0.00 0.00 68.15 67.30 1p8a h THR 127 CO 0.09 0.03 0.00 0.80 -0.25 0.00 0.00 175.52 176.19 1p8a n MET 128 N -5.19 0.00 0.06 4.72 0.00 0.28 0.31 117.12 117.30 1p8a n MET 128 Ca 0.06 0.62 -0.12 0.00 0.00 0.00 0.00 57.70 58.26 1p8a n MET 128 Cb 0.27 -1.19 -0.05 0.00 0.00 0.00 0.00 33.22 32.25 1p8a n MET 128 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 175.97 176.32 1p8a h PHE 129 N 0.00 -0.85 -0.55 1.12 3.04 -1.55 0.15 116.94 118.30 1p8a h PHE 129 Ca 0.00 0.03 0.16 0.00 3.98 0.00 0.00 57.97 62.14 1p8a h PHE 129 Cb 0.00 0.38 -0.02 0.00 2.56 0.00 0.00 35.95 38.87 1p8a h PHE 129 CO -0.30 -0.40 0.77 0.00 -2.02 0.00 0.00 178.31 176.36 1p8a h ALA 130 N 0.28 2.32 0.00 2.41 0.00 -0.70 0.49 119.26 124.06 1p8a h ALA 130 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1p8a h ALA 130 Cb 0.55 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1p8a h ALA 130 CO -0.26 -1.05 -0.37 1.03 0.00 0.00 0.00 179.25 178.59 1p8a h SER 131 N 0.00 0.00 -0.06 0.00 0.87 0.25 -0.97 113.55 113.64 1p8a h SER 131 Ca 0.26 0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.84 1p8a h SER 131 Cb 1.80 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.75 1p8a h SER 131 CO -0.00 0.59 0.38 -0.29 -0.53 0.00 0.00 176.83 176.98 1p8a h ILE 132 N -0.80 0.05 0.00 2.23 2.10 -0.40 -0.02 117.51 120.66 1p8a h ILE 132 Ca 0.00 0.00 -0.10 0.00 1.08 0.00 0.00 64.86 65.84 1p8a h ILE 132 Cb 0.37 0.63 -0.02 0.00 -1.09 0.00 0.00 36.82 36.72 1p8a h ILE 132 CO 0.00 0.00 -0.92 -0.24 -1.08 0.00 0.00 178.15 175.91 1p8a n SER 133 N -2.98 1.84 0.12 2.19 2.88 0.16 -3.23 113.62 114.60 1p8a n SER 133 Ca -0.01 0.53 0.20 0.00 -1.33 0.00 0.00 58.87 58.26 1p8a n SER 133 Cb 0.45 -0.89 0.71 0.00 -0.75 0.00 0.00 64.21 63.73 1p8a n SER 133 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1p8a h LYS 134 N -1.00 0.00 -1.49 -1.46 3.64 -0.44 -0.79 116.57 115.03 1p8a h LYS 134 Ca -0.16 0.00 -0.56 0.00 -1.27 0.00 0.00 60.65 58.66 1p8a h LYS 134 Cb 0.87 0.00 -0.42 0.00 -0.41 0.00 0.00 32.23 32.28 1p8a h LYS 134 CO -0.10 0.00 -0.79 0.39 -2.27 0.00 0.00 179.45 176.69 1p8a n GLU 135 N -3.47 3.14 -0.01 1.90 4.71 -0.09 -4.70 120.64 122.13 1p8a n GLU 135 Ca 0.07 -4.37 0.00 0.00 -0.01 0.00 0.00 57.16 52.85 1p8a n GLU 135 Cb 0.67 -2.13 -0.02 0.00 -1.01 0.00 0.00 31.44 28.96 1p8a n GLU 135 CO 0.00 0.00 0.00 -0.12 0.09 0.00 0.00 177.13 177.10 1p8a n MET 136 N -0.42 1.55 0.09 3.49 1.56 -0.30 -4.35 117.12 118.73 1p8a n MET 136 Ca 0.35 -0.01 -0.23 0.00 -0.27 0.00 0.00 57.70 57.54 1p8a n MET 136 Cb 0.67 -1.06 -0.15 0.00 2.15 0.00 0.00 33.22 34.83 1p8a n MET 136 CO 0.00 0.00 0.00 -0.22 -0.73 0.00 0.00 175.97 175.02 1p8a h LYS 137 N 0.00 0.42 0.00 2.12 3.64 -1.84 -3.29 116.57 117.62 1p8a h LYS 137 Ca -0.02 -0.72 0.00 0.00 -1.27 0.00 0.00 60.65 58.64 1p8a h LYS 137 Cb 0.53 0.27 0.00 0.00 -0.41 0.00 0.00 32.23 32.62 1p8a h LYS 137 CO 0.00 1.34 0.00 -0.35 -2.27 0.00 0.00 179.45 178.18 1p8a n PRO 138 N -3.72 0.34 -0.01 1.90 -0.04 -1.26 -2.57 135.00 129.65 1p8a n PRO 138 Ca -0.21 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.25 1p8a n PRO 138 Cb 1.05 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 33.01 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 3.57 -1.76 -3.22 116.94 116.07 1p8a h PHE 139 Ca 0.00 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 1p8a h PHE 139 Cb 0.32 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.06 1p8a h PHE 139 CO 0.00 0.00 -0.11 1.37 -2.23 0.00 0.00 178.31 177.34 1p8a h LEU 140 N -0.10 0.00 -1.11 0.59 8.10 -1.71 0.22 115.31 121.29 1p8a h LEU 140 Ca 0.00 0.00 -0.09 0.00 0.11 0.00 0.00 57.88 57.90 1p8a h LEU 140 Cb 0.01 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.22 1p8a h LEU 140 CO 0.00 0.11 -0.33 0.74 -4.11 0.00 0.00 178.44 174.85 1p8a h THR 141 N 0.00 1.27 0.00 0.15 2.02 -1.66 -1.37 112.91 113.32 1p8a h THR 141 Ca -0.00 -1.30 -0.14 0.00 0.77 0.00 0.00 66.41 65.74 1p8a h THR 141 Cb 0.46 1.57 -0.03 0.00 -1.74 0.00 0.00 68.15 68.41 1p8a h THR 141 CO 0.01 0.39 -1.96 -0.62 0.37 0.00 0.00 175.52 173.71 1p8a n GLU 142 N -4.10 0.92 0.00 6.66 1.02 -0.96 -4.16 120.64 120.01 1p8a n GLU 142 Ca -0.01 -0.09 0.05 0.00 -0.02 0.00 0.00 57.16 57.08 1p8a n GLU 142 Cb 0.41 -1.42 0.21 0.00 -0.02 0.00 0.00 31.44 30.62 1p8a n GLU 142 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1p8a n HIS 143 N -2.35 0.00 0.00 -0.32 8.25 0.72 -4.76 115.22 116.76 1p8a n HIS 143 Ca -0.14 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.32 1p8a n HIS 143 Cb 0.74 -0.45 0.00 0.00 1.12 0.00 0.00 29.99 31.39 1p8a n HIS 143 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1p8a n GLY 144 N -0.52 0.54 2.72 -1.41 0.00 -1.20 -5.04 105.19 100.28 1p8a n GLY 144 Ca 0.03 -0.73 -0.08 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.23 -0.11 0.99 4.77 -0.52 -5.00 117.00 114.90 1p8a n LEU 145 Ca 0.00 -3.38 0.01 0.00 -0.03 0.00 0.00 56.01 52.62 1p8a n LEU 145 Cb 0.00 0.93 0.01 0.00 -2.33 0.00 0.00 43.42 42.03 1p8a n LEU 145 CO 0.00 2.00 0.29 2.30 -1.33 0.00 0.00 177.39 180.65