#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 -3.45 -2.01 0.00 0.00 -1.26 -4.91 120.51 108.88 1p8a n ALA 2 Ca 0.00 0.67 -0.18 0.00 0.00 0.00 0.00 53.44 53.94 1p8a n ALA 2 Cb 0.00 -1.35 0.02 0.00 0.00 0.00 0.00 19.45 18.12 1p8a n ALA 2 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1p8a s GLU 3 N -3.78 2.73 0.45 0.00 2.02 -1.26 -5.10 118.70 113.76 1p8a s GLU 3 Ca 0.00 -1.30 -0.09 0.00 0.02 0.00 0.00 54.97 53.59 1p8a s GLU 3 Cb 0.00 -2.74 -0.05 0.00 0.10 0.00 0.00 34.13 31.44 1p8a s GLU 3 CO 0.00 -0.38 0.81 0.15 0.02 0.00 0.00 175.26 175.86 1p8a s LYS 4 N -4.41 3.70 0.00 1.61 3.01 -1.26 -5.08 119.74 117.31 1p8a s LYS 4 Ca 0.56 0.44 0.00 0.00 -1.01 0.00 0.00 55.97 55.96 1p8a s LYS 4 Cb -0.09 -2.35 0.00 0.00 -1.01 0.00 0.00 37.83 34.38 1p8a s LYS 4 CO 0.34 -0.14 0.00 1.63 0.51 0.00 0.00 175.35 177.69 1p8a n LYS 5 N -1.72 1.04 -3.57 1.68 5.02 -1.26 -4.97 118.16 114.38 1p8a n LYS 5 Ca 0.02 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.19 1p8a n LYS 5 Cb 0.54 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 35.44 1p8a n LYS 5 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1p8a s ALA 6 N -2.00 -0.77 -0.21 7.82 0.00 -1.26 0.37 121.76 125.70 1p8a s ALA 6 Ca 0.00 0.97 -0.08 0.00 0.00 0.00 0.00 51.96 52.85 1p8a s ALA 6 Cb 0.00 -1.28 -0.04 0.00 0.00 0.00 0.00 23.12 21.81 1p8a s ALA 6 CO 0.00 -0.88 0.08 0.08 0.00 0.00 0.00 175.76 175.04 1p8a s VAL 7 N 2.48 4.68 -1.08 0.00 1.01 -0.34 -0.68 120.40 126.48 1p8a s VAL 7 Ca 0.04 -0.06 -0.16 0.00 0.00 0.00 0.00 61.98 61.80 1p8a s VAL 7 Cb -0.13 -3.15 0.16 0.00 0.00 0.00 0.00 36.38 33.25 1p8a s VAL 7 CO -0.12 0.40 1.28 -0.22 0.00 0.00 0.00 175.10 176.44 1p8a s LEU 8 N 0.94 5.10 -0.35 3.92 2.96 0.13 -0.84 118.68 130.54 1p8a s LEU 8 Ca 0.04 -2.58 -0.28 0.00 -0.22 0.00 0.00 54.13 51.09 1p8a s LEU 8 Cb -0.14 -2.39 -0.02 0.00 0.50 0.00 0.00 46.19 44.14 1p8a s LEU 8 CO 0.03 -0.88 1.86 -0.36 -1.32 0.00 0.00 176.35 175.68 1p8a s PHE 9 N 2.00 1.72 0.15 5.38 0.08 0.19 -0.79 117.98 126.71 1p8a s PHE 9 Ca 0.38 0.66 0.08 0.00 0.12 0.00 0.00 56.93 58.16 1p8a s PHE 9 Cb -0.04 -4.09 -0.04 0.00 -0.57 0.00 0.00 43.02 38.28 1p8a s PHE 9 CO -0.04 -2.98 -0.17 0.08 -0.10 0.00 0.00 175.22 172.01 1p8a s VAL 10 N 7.34 1.66 0.00 -0.44 1.01 0.49 -1.48 120.40 128.99 1p8a s VAL 10 Ca 0.81 -1.84 0.00 0.00 0.00 0.00 0.00 61.98 60.95 1p8a s VAL 10 Cb -0.22 -1.74 0.00 0.00 0.00 0.00 0.00 36.38 34.42 1p8a s VAL 10 CO 0.32 -0.34 0.00 0.00 0.00 0.00 0.00 175.10 175.09 1p8a s LEU 12 N 0.00 4.86 0.00 0.00 1.98 -1.26 -4.60 118.68 119.65 1p8a s LEU 12 Ca 0.00 -3.67 0.00 0.00 -2.89 0.00 0.00 54.13 47.57 1p8a s LEU 12 Cb 0.00 -1.68 0.00 0.00 0.66 0.00 0.00 46.19 45.17 1p8a s LEU 12 CO 0.00 -0.13 0.00 0.61 -1.89 0.00 0.00 176.35 174.94 1p8a n GLY 13 N 2.26 0.85 7.00 7.98 0.00 -1.26 -4.82 105.19 117.20 1p8a n GLY 13 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.01 -0.98 -0.46 1.61 5.15 -1.26 -4.76 115.26 114.56 1p8a n ASN 14 Ca 0.00 0.00 -0.06 0.00 -0.60 0.00 0.00 54.58 53.92 1p8a n ASN 14 Cb 0.00 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.23 1p8a n ASN 14 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 1p8a n ILE 15 N 0.00 0.00 0.00 -1.44 2.08 -1.26 -4.79 119.36 113.94 1p8a n ILE 15 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 1p8a n ILE 15 Cb 0.00 -1.17 0.00 0.00 -0.75 0.00 0.00 39.64 37.72 1p8a n ILE 15 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1p8a n ARG 17 N -0.14 0.00 -2.69 0.00 1.74 -1.24 -3.79 116.66 110.53 1p8a n ARG 17 Ca 0.00 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 57.00 1p8a n ARG 17 Cb 0.00 0.00 0.03 0.00 -1.02 0.00 0.00 32.46 31.47 1p8a n ARG 17 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1p8a n SER 18 N 2.34 1.51 0.01 0.55 3.41 -1.26 -4.60 113.62 115.59 1p8a n SER 18 Ca 0.00 -2.59 0.13 0.00 -0.26 0.00 0.00 58.87 56.14 1p8a n SER 18 Cb 0.00 -0.52 0.54 0.00 -0.26 0.00 0.00 64.21 63.97 1p8a n SER 18 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1p8a n PRO 19 N -0.17 0.03 -0.23 4.33 -0.04 -1.25 -2.89 135.00 134.79 1p8a n PRO 19 Ca 0.09 0.08 0.11 0.00 -0.04 0.00 0.00 63.50 63.74 1p8a n PRO 19 Cb 0.81 -1.54 0.26 0.00 -0.04 0.00 0.00 33.50 33.00 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 -1.54 2.42 -0.14 0.55 0.00 -1.26 -4.35 120.51 116.20 1p8a n ALA 20 Ca 0.06 -0.99 -0.09 0.00 0.00 0.00 0.00 53.44 52.42 1p8a n ALA 20 Cb 0.31 -0.93 -0.01 0.00 0.00 0.00 0.00 19.45 18.83 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 0.51 0.34 0.56 0.00 4.39 -1.84 -0.99 114.58 117.56 1p8a h GLU 22 Ca 0.14 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.79 1p8a h GLU 22 Cb 0.15 -0.08 0.01 0.00 -0.10 0.00 0.00 28.75 28.73 1p8a h GLU 22 CO -0.01 0.23 -0.27 0.78 -1.16 0.00 0.00 179.01 178.57 1p8a h GLY 23 N 0.35 -0.78 -0.70 -3.84 0.00 -1.76 -0.05 103.07 96.29 1p8a h GLY 23 Ca 0.10 0.29 0.23 0.00 0.00 0.00 0.00 47.33 47.95 1p8a h GLY 23 CO -0.03 -0.29 0.03 1.19 0.00 0.00 0.00 176.54 177.44 1p8a h ILE 24 N -1.18 0.16 -0.31 2.60 6.09 -0.17 0.65 117.51 125.36 1p8a h ILE 24 Ca -0.08 -0.02 -0.14 0.00 -1.37 0.00 0.00 64.86 63.25 1p8a h ILE 24 Cb 0.60 0.09 -0.01 0.00 0.47 0.00 0.00 36.82 37.97 1p8a h ILE 24 CO 0.13 0.01 -0.37 0.00 -3.07 0.00 0.00 178.15 174.84 1p8a h ARG 26 N 0.59 0.60 0.10 0.00 2.47 0.22 2.48 114.38 120.84 1p8a h ARG 26 Ca 0.05 -0.08 -0.18 0.00 -1.26 0.00 0.00 59.98 58.52 1p8a h ARG 26 Cb 0.91 -0.11 0.01 0.00 -1.65 0.00 0.00 29.97 29.12 1p8a h ARG 26 CO 0.08 0.50 -0.85 -0.44 0.56 0.00 0.00 179.97 179.82 1p8a h ASP 27 N 0.55 0.32 -0.70 7.04 5.19 -0.88 0.43 116.42 128.37 1p8a h ASP 27 Ca 0.15 -0.90 -0.04 0.00 -0.62 0.00 0.00 57.03 55.62 1p8a h ASP 27 Cb 0.09 -0.10 -0.03 0.00 0.18 0.00 0.00 39.33 39.47 1p8a h ASP 27 CO -0.02 1.39 0.28 0.24 -3.12 0.00 0.00 179.24 178.00 1p8a h MET 28 N -0.52 1.05 -0.02 3.56 2.86 -0.23 -3.39 114.93 118.23 1p8a h MET 28 Ca -0.17 -0.19 -0.16 0.00 -2.06 0.00 0.00 59.70 57.11 1p8a h MET 28 Cb 1.53 -0.17 -0.16 0.00 0.06 0.00 0.00 31.60 32.86 1p8a h MET 28 CO 0.07 0.87 -0.33 1.33 1.06 0.00 0.00 176.91 179.91 1p8a n VAL 29 N -4.37 0.05 0.18 -2.22 0.24 0.11 -4.93 118.33 107.39 1p8a n VAL 29 Ca 0.05 -0.78 0.17 0.00 -2.04 0.00 0.00 64.34 61.74 1p8a n VAL 29 Cb 0.18 0.86 0.64 0.00 -1.47 0.00 0.00 33.84 34.05 1p8a n VAL 29 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 1p8a h GLY 30 N 0.77 0.00 1.12 7.63 0.00 0.88 0.12 103.07 113.58 1p8a h GLY 30 Ca -0.47 0.00 0.02 0.00 0.00 0.00 0.00 47.33 46.88 1p8a h GLY 30 CO -0.20 0.00 0.42 -0.55 0.00 0.00 0.00 176.54 176.21 1p8a h ASP 31 N 0.00 0.00 0.00 0.19 3.32 -1.82 -3.40 116.42 114.71 1p8a h ASP 31 Ca 0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1p8a h ASP 31 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.81 1p8a h ASP 31 CO -0.00 0.00 0.00 2.29 -1.72 0.00 0.00 179.24 179.81 1p8a n LYS 32 N -2.96 2.91 0.00 3.56 2.85 0.40 -5.14 118.16 119.79 1p8a n LYS 32 Ca -0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1p8a n LYS 32 Cb 0.49 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.87 1p8a n LYS 32 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1p8a n LEU 33 N 0.00 0.00 -2.28 -5.58 4.77 -1.26 -4.97 117.00 107.68 1p8a n LEU 33 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 1p8a n LEU 33 Cb 0.00 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 1p8a n LEU 33 CO 0.00 0.00 -0.03 2.30 -1.33 0.00 0.00 177.39 178.33 1p8a n ILE 34 N 0.00 0.00 -3.68 -0.08 -6.64 0.16 -4.80 119.36 104.32 1p8a n ILE 34 Ca 0.00 0.00 -0.38 0.00 -1.77 0.00 0.00 62.75 60.60 1p8a n ILE 34 Cb 0.00 -0.10 -0.09 0.00 -1.44 0.00 0.00 39.64 38.00 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 -1.62 3.83 -0.28 7.28 1.01 -1.26 -1.20 121.20 128.95 1p8a s ILE 35 Ca 0.17 -2.46 0.01 0.00 0.00 0.00 0.00 60.65 58.38 1p8a s ILE 35 Cb -0.10 -3.52 0.08 0.00 0.01 0.00 0.00 42.46 38.93 1p8a s ILE 35 CO 0.21 -0.82 0.02 -1.81 0.00 0.00 0.00 174.94 172.54 1p8a s ASP 36 N 1.48 4.14 -0.14 3.58 1.01 -0.02 -4.91 116.67 121.81 1p8a s ASP 36 Ca 0.12 -1.57 -0.15 0.00 0.71 0.00 0.00 52.55 51.67 1p8a s ASP 36 Cb -0.21 -1.20 -0.05 0.00 1.01 0.00 0.00 42.92 42.47 1p8a s ASP 36 CO -0.04 -0.33 0.34 -0.44 0.21 0.00 0.00 175.17 174.91 1p8a s SER 37 N 1.33 6.51 0.11 0.27 0.01 -1.26 0.53 113.70 121.20 1p8a s SER 37 Ca 0.03 0.60 -0.03 0.00 1.31 0.00 0.00 55.95 57.86 1p8a s SER 37 Cb -0.18 -2.21 0.01 0.00 0.21 0.00 0.00 66.02 63.85 1p8a s SER 37 CO -0.12 0.10 0.20 0.00 0.41 0.00 0.00 173.24 173.83 1p8a n ALA 38 N 3.45 -0.41 -3.58 1.44 0.00 -0.55 -4.86 120.51 116.00 1p8a n ALA 38 Ca -0.11 -0.39 -0.14 0.00 0.00 0.00 0.00 53.44 52.81 1p8a n ALA 38 Cb 0.52 0.31 -0.06 0.00 0.00 0.00 0.00 19.45 20.22 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 -1.45 -1.86 -1.21 0.00 0.00 -1.22 -3.67 121.76 112.35 1p8a s ALA 39 Ca 0.05 1.62 -0.05 0.00 0.00 0.00 0.00 51.96 53.58 1p8a s ALA 39 Cb -0.01 -0.67 0.21 0.00 0.00 0.00 0.00 23.12 22.65 1p8a s ALA 39 CO 0.04 -0.32 1.96 -2.37 0.00 0.00 0.00 175.76 175.07 1p8a n THR 40 N 1.39 5.20 0.00 0.00 5.66 -1.26 -1.46 114.28 123.80 1p8a n THR 40 Ca -0.14 -4.99 0.00 0.00 -3.05 0.00 0.00 64.05 55.86 1p8a n THR 40 Cb 0.57 -2.05 0.00 0.00 -1.55 0.00 0.00 70.33 67.30 1p8a n THR 40 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1p8a n SER 41 N 1.87 0.00 -1.53 1.09 2.88 -1.26 -4.82 113.62 111.85 1p8a n SER 41 Ca 0.46 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.99 1p8a n SER 41 Cb 0.30 0.10 -0.00 0.00 -0.75 0.00 0.00 64.21 63.85 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 0.10 -3.63 0.17 0.46 0.00 -1.26 -4.90 105.19 96.13 1p8a n GLY 42 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 0.49 -0.21 -1.46 1.61 3.72 -1.26 -4.95 117.46 115.40 1p8a n PHE 43 Ca -0.04 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.43 1p8a n PHE 43 Cb 0.07 0.04 0.14 0.00 -0.94 0.00 0.00 39.48 38.79 1p8a n PHE 43 CO 0.00 0.00 0.00 -2.39 -0.05 0.00 0.00 176.76 174.32 1p8a n HIS 44 N -1.21 0.00 0.27 1.38 1.44 -1.26 -4.73 115.22 111.11 1p8a n HIS 44 Ca 0.00 -1.00 0.04 0.00 -2.01 0.00 0.00 57.72 54.75 1p8a n HIS 44 Cb 0.00 -0.17 0.16 0.00 0.12 0.00 0.00 29.99 30.10 1p8a n HIS 44 CO 0.00 0.00 0.00 1.33 -2.81 0.00 0.00 176.34 174.86 1p8a n VAL 45 N -1.02 1.38 -1.55 0.61 0.24 -1.26 -2.39 118.33 114.34 1p8a n VAL 45 Ca 0.14 0.34 -0.33 0.00 -2.04 0.00 0.00 64.34 62.46 1p8a n VAL 45 Cb 0.70 -1.22 0.06 0.00 -1.47 0.00 0.00 33.84 31.92 1p8a n VAL 45 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1p8a n GLY 46 N -0.73 5.96 0.00 7.63 0.00 -1.26 -4.18 105.19 112.61 1p8a n GLY 46 Ca 0.02 -2.41 0.00 0.00 0.00 0.00 0.00 46.02 43.63 1p8a n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p8a n GLN 47 N -0.83 0.00 -2.20 1.61 10.64 -1.00 -5.12 117.38 120.46 1p8a n GLN 47 Ca 0.58 0.00 -0.03 0.00 -1.83 0.00 0.00 57.00 55.72 1p8a n GLN 47 Cb 0.68 0.00 -0.03 0.00 -0.86 0.00 0.00 30.24 30.04 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 -1.82 -4.57 2.61 2.88 -1.26 -4.76 113.62 106.70 1p8a n SER 48 Ca 0.00 0.86 -0.27 0.00 -1.33 0.00 0.00 58.87 58.13 1p8a n SER 48 Cb 0.00 -3.72 -0.06 0.00 -0.75 0.00 0.00 64.21 59.68 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 -0.84 2.49 -0.23 -1.46 0.04 -1.26 -4.76 135.00 128.98 1p8a s PRO 49 Ca -0.15 -0.86 0.01 0.00 0.04 0.00 0.00 61.00 60.04 1p8a s PRO 49 Cb 0.01 -5.18 0.28 0.00 0.04 0.00 0.00 34.50 29.65 1p8a s PRO 49 CO 0.51 -3.81 1.56 -3.47 0.04 0.00 0.00 177.00 171.82 1p8a n ASP 50 N 14.37 4.05 0.11 6.66 -0.08 -1.26 -4.19 116.55 136.21 1p8a n ASP 50 Ca 0.43 -2.80 -0.02 0.00 -1.51 0.00 0.00 54.79 50.89 1p8a n ASP 50 Cb 0.47 -0.75 0.08 0.00 2.34 0.00 0.00 41.12 43.26 1p8a n ASP 50 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 1p8a h THR 51 N 0.58 1.46 0.08 5.18 1.35 -1.98 -1.09 112.91 118.49 1p8a h THR 51 Ca 0.29 -2.52 -0.00 0.00 -0.55 0.00 0.00 66.41 63.62 1p8a h THR 51 Cb 1.64 2.38 0.00 0.00 -1.73 0.00 0.00 68.15 70.44 1p8a h THR 51 CO 0.56 0.71 -0.04 0.03 -0.25 0.00 0.00 175.52 176.53 1p8a h ARG 52 N 0.00 -0.10 -0.17 4.72 3.08 -1.98 0.04 114.38 119.97 1p8a h ARG 52 Ca -0.01 0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1p8a h ARG 52 Cb 1.32 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.39 1p8a h ARG 52 CO 0.09 0.45 0.10 1.03 -1.07 0.00 0.00 179.97 180.57 1p8a h SER 53 N -0.79 0.20 -0.58 7.04 0.87 -1.86 -1.33 113.55 117.10 1p8a h SER 53 Ca -0.01 -0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.47 1p8a h SER 53 Cb 0.60 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.48 1p8a h SER 53 CO 0.02 0.21 0.34 -0.61 -0.53 0.00 0.00 176.83 176.25 1p8a h GLN 54 N 0.18 0.81 0.20 2.24 4.15 -1.28 0.16 115.11 121.57 1p8a h GLN 54 Ca 0.06 -0.08 -0.00 0.00 0.77 0.00 0.00 58.65 59.39 1p8a h GLN 54 Cb 0.05 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.56 1p8a h GLN 54 CO -0.01 0.60 -0.24 -0.22 -1.93 0.00 0.00 178.83 177.03 1p8a h LYS 55 N 0.79 -0.43 -0.71 1.69 1.63 -0.61 -0.63 116.57 118.30 1p8a h LYS 55 Ca 0.21 0.03 0.17 0.00 -0.85 0.00 0.00 60.65 60.21 1p8a h LYS 55 Cb 0.02 0.10 -0.04 0.00 -0.60 0.00 0.00 32.23 31.70 1p8a h LYS 55 CO -0.04 -0.29 0.49 -0.39 -3.45 0.00 0.00 179.45 175.78 1p8a h VAL 56 N -0.45 0.73 0.18 2.00 -1.51 -1.18 -0.82 116.25 115.20 1p8a h VAL 56 Ca -0.02 -0.07 0.01 0.00 -1.23 0.00 0.00 66.70 65.39 1p8a h VAL 56 Cb 0.40 0.50 -0.03 0.00 -2.13 0.00 0.00 31.29 30.02 1p8a h VAL 56 CO -0.05 0.04 -0.32 0.00 -1.23 0.00 0.00 177.57 176.01 1p8a h LYS 58 N -0.58 0.38 0.00 0.00 3.11 0.12 1.91 116.57 121.52 1p8a h LYS 58 Ca 0.02 -0.09 0.00 0.00 -2.81 0.00 0.00 60.65 57.76 1p8a h LYS 58 Cb 0.58 -0.05 0.00 0.00 -1.00 0.00 0.00 32.23 31.76 1p8a h LYS 58 CO -0.15 0.50 0.00 0.43 -2.81 0.00 0.00 179.45 177.42 1p8a n SER 59 N -4.25 0.19 -0.04 4.20 7.64 -0.45 -3.42 113.62 117.49 1p8a n SER 59 Ca 0.00 0.53 -0.04 0.00 1.01 0.00 0.00 58.87 60.37 1p8a n SER 59 Cb 0.29 -0.58 -0.05 0.00 -1.01 0.00 0.00 64.21 62.86 1p8a n SER 59 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1p8a n ASN 60 N -1.69 3.33 0.00 6.43 5.03 0.22 -5.01 115.26 123.57 1p8a n ASN 60 Ca 0.05 -0.01 0.00 0.00 0.87 0.00 0.00 54.58 55.49 1p8a n ASN 60 Cb 0.28 0.50 0.00 0.00 -1.02 0.00 0.00 39.78 39.54 1p8a n ASN 60 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1p8a n GLY 61 N 2.69 -0.35 3.16 7.41 0.00 0.55 -5.06 105.19 113.59 1p8a n GLY 61 Ca -0.12 -0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.92 -0.57 1.61 1.01 0.39 -3.34 120.40 118.58 1p8a s VAL 62 Ca 0.00 -0.12 -0.21 0.00 0.00 0.00 0.00 61.98 61.65 1p8a s VAL 62 Cb 0.00 -0.07 0.06 0.00 0.00 0.00 0.00 36.38 36.37 1p8a s VAL 62 CO 0.00 -0.07 0.82 -1.81 0.00 0.00 0.00 175.10 174.04 1p8a s ASP 63 N 1.79 6.24 0.00 3.32 1.11 -1.26 -1.39 116.67 126.49 1p8a s ASP 63 Ca 0.16 -0.82 0.00 0.00 0.18 0.00 0.00 52.55 52.07 1p8a s ASP 63 Cb -0.05 -2.37 0.00 0.00 1.07 0.00 0.00 42.92 41.57 1p8a s ASP 63 CO -0.06 -1.16 0.00 2.30 1.18 0.00 0.00 175.17 177.42 1p8a n ILE 64 N 5.86 0.00 -3.64 0.77 -5.35 -1.26 -4.78 119.36 110.96 1p8a n ILE 64 Ca -0.04 0.00 -0.03 0.00 -0.27 0.00 0.00 62.75 62.41 1p8a n ILE 64 Cb 0.46 0.00 -0.07 0.00 -1.74 0.00 0.00 39.64 38.29 1p8a n ILE 64 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 1p8a s SER 65 N 0.73 -0.34 -0.20 7.28 0.01 -1.26 -5.06 113.70 114.86 1p8a s SER 65 Ca 0.00 0.58 -0.01 0.00 1.31 0.00 0.00 55.95 57.83 1p8a s SER 65 Cb 0.00 0.92 0.00 0.00 0.21 0.00 0.00 66.02 67.15 1p8a s SER 65 CO 0.00 -0.09 0.02 0.29 0.41 0.00 0.00 173.24 173.87 1p8a n LYS 66 N 2.91 -2.24 -0.34 12.44 4.76 -1.26 -4.73 118.16 129.69 1p8a n LYS 66 Ca -0.16 2.00 0.24 0.00 -2.87 0.00 0.00 58.31 57.53 1p8a n LYS 66 Cb 0.57 -3.69 0.48 0.00 -1.84 0.00 0.00 35.03 30.55 1p8a n LYS 66 CO 0.00 0.00 0.00 1.96 -1.37 0.00 0.00 177.40 177.99 1p8a h GLN 67 N 3.23 0.31 -5.73 1.97 1.08 -1.95 -3.46 115.11 110.56 1p8a h GLN 67 Ca -0.01 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 1p8a h GLN 67 Cb 0.42 -0.07 -0.04 0.00 -0.05 0.00 0.00 27.48 27.74 1p8a h GLN 67 CO 0.07 0.20 -0.76 -2.13 -0.95 0.00 0.00 178.83 175.26 1p8a n ARG 68 N -5.04 -2.42 -4.00 1.46 0.63 -1.26 -4.97 116.66 101.06 1p8a n ARG 68 Ca 0.32 2.04 -0.25 0.00 -0.92 0.00 0.00 57.85 59.03 1p8a n ARG 68 Cb 1.00 -2.65 -0.04 0.00 0.45 0.00 0.00 32.46 31.22 1p8a n ARG 68 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1p8a s ALA 69 N -0.52 3.81 0.10 5.13 0.00 -1.26 -5.00 121.76 124.02 1p8a s ALA 69 Ca -0.09 -1.13 -0.16 0.00 0.00 0.00 0.00 51.96 50.58 1p8a s ALA 69 Cb 0.01 -1.61 0.03 0.00 0.00 0.00 0.00 23.12 21.54 1p8a s ALA 69 CO 0.33 0.49 0.38 1.03 0.00 0.00 0.00 175.76 177.99 1p8a s ARG 70 N -3.29 1.00 -0.12 0.00 0.52 -1.26 -4.80 118.95 110.99 1p8a s ARG 70 Ca 0.33 -0.63 -0.29 0.00 -0.52 0.00 0.00 55.73 54.61 1p8a s ARG 70 Cb -0.10 0.44 -0.01 0.00 0.52 0.00 0.00 34.95 35.79 1p8a s ARG 70 CO 0.27 -0.37 1.02 -1.14 0.02 0.00 0.00 175.30 175.10 1p8a s GLN 71 N -3.41 4.40 -0.74 3.54 0.74 -1.26 -3.46 119.66 119.46 1p8a s GLN 71 Ca 0.01 1.40 -0.26 0.00 0.05 0.00 0.00 55.36 56.56 1p8a s GLN 71 Cb 0.01 -3.56 -0.01 0.00 1.10 0.00 0.00 33.01 30.56 1p8a s GLN 71 CO -0.09 -0.37 1.73 -1.50 -0.55 0.00 0.00 175.29 174.51 1p8a s ILE 72 N 2.20 3.50 0.00 -2.34 2.07 -0.54 -4.94 121.20 121.15 1p8a s ILE 72 Ca 0.48 0.01 0.00 0.00 -1.41 0.00 0.00 60.65 59.74 1p8a s ILE 72 Cb -0.18 -4.26 0.00 0.00 0.13 0.00 0.00 42.46 38.15 1p8a s ILE 72 CO 0.16 -1.21 0.00 0.41 -1.91 0.00 0.00 174.94 172.40 1p8a n THR 73 N 7.17 0.00 1.22 4.00 -1.04 -1.26 -4.87 114.28 119.50 1p8a n THR 73 Ca 0.23 0.00 0.14 0.00 -2.04 0.00 0.00 64.05 62.38 1p8a n THR 73 Cb 0.50 -0.59 0.55 0.00 -1.82 0.00 0.00 70.33 68.97 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 0.00 0.35 0.23 -2.82 5.02 -1.26 -3.55 118.16 116.13 1p8a n LYS 74 Ca 0.00 -0.11 0.16 0.00 -2.02 0.00 0.00 58.31 56.34 1p8a n LYS 74 Cb 0.00 -1.50 0.67 0.00 -0.02 0.00 0.00 35.03 34.18 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 3.32 1.00 0.00 7.82 0.00 -1.98 -2.65 119.26 126.77 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 0.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1p8a h ALA 75 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 179.25 179.63 1p8a h ASP 76 N 0.00 0.00 -0.02 0.00 2.03 -1.90 0.67 116.42 117.19 1p8a h ASP 76 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1p8a h ASP 76 Cb 0.40 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.90 1p8a h ASP 76 CO 0.00 0.00 0.00 0.49 -1.03 0.00 0.00 179.24 178.70 1p8a n PHE 77 N -2.36 0.03 0.00 4.15 3.72 -1.00 -3.97 117.46 118.02 1p8a n PHE 77 Ca -0.01 -0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 1p8a n PHE 77 Cb 0.06 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.60 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 -0.57 0.09 -0.34 4.37 2.88 0.08 -3.59 113.62 116.54 1p8a n SER 78 Ca 0.19 0.00 0.33 0.00 -1.33 0.00 0.00 58.87 58.06 1p8a n SER 78 Cb 0.16 0.00 0.70 0.00 -0.75 0.00 0.00 64.21 64.33 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 0.07 -4.73 -1.46 1.63 -1.34 -3.40 116.57 107.34 1p8a h LYS 79 Ca 0.00 -0.00 -0.27 0.00 -0.85 0.00 0.00 60.65 59.53 1p8a h LYS 79 Cb 0.21 -0.02 -0.17 0.00 -0.60 0.00 0.00 32.23 31.65 1p8a h LYS 79 CO 0.00 0.05 -0.72 -0.06 -3.45 0.00 0.00 179.45 175.27 1p8a s PHE 80 N -5.06 0.89 -0.94 1.91 0.08 -1.25 -4.91 117.98 108.70 1p8a s PHE 80 Ca -0.06 -0.73 0.21 0.00 0.12 0.00 0.00 56.93 56.48 1p8a s PHE 80 Cb 0.24 -0.51 -0.19 0.00 -0.57 0.00 0.00 43.02 41.99 1p8a s PHE 80 CO 0.81 -0.08 0.91 -3.47 -0.10 0.00 0.00 175.22 173.28 1p8a n ASP 81 N 0.51 0.91 -4.04 1.36 -0.08 -1.16 -4.60 116.55 109.45 1p8a n ASP 81 Ca -0.16 -0.89 -0.19 0.00 -1.51 0.00 0.00 54.79 52.04 1p8a n ASP 81 Cb 0.58 1.01 -0.14 0.00 2.34 0.00 0.00 41.12 44.90 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 -3.03 0.78 -0.06 5.18 1.01 0.15 -2.47 120.40 121.95 1p8a s VAL 82 Ca 0.07 -0.49 0.03 0.00 0.00 0.00 0.00 61.98 61.58 1p8a s VAL 82 Cb 0.16 -0.67 0.01 0.00 0.00 0.00 0.00 36.38 35.88 1p8a s VAL 82 CO 0.86 0.17 -0.13 -0.63 0.00 0.00 0.00 175.10 175.36 1p8a s ILE 83 N -0.33 1.21 -0.08 2.22 1.01 -0.10 0.21 121.20 125.33 1p8a s ILE 83 Ca 0.03 -0.53 0.01 0.00 0.00 0.00 0.00 60.65 60.15 1p8a s ILE 83 Cb -0.04 -1.09 -0.03 0.00 0.01 0.00 0.00 42.46 41.31 1p8a s ILE 83 CO -0.00 0.37 -0.09 0.00 0.00 0.00 0.00 174.94 175.22 1p8a s ALA 84 N 0.55 2.88 -0.05 9.38 0.00 0.03 -0.87 121.76 133.67 1p8a s ALA 84 Ca -0.13 -0.90 0.05 0.00 0.00 0.00 0.00 51.96 50.98 1p8a s ALA 84 Cb -0.15 -1.22 -0.02 0.00 0.00 0.00 0.00 23.12 21.73 1p8a s ALA 84 CO 0.04 0.48 -0.19 0.00 0.00 0.00 0.00 175.76 176.09 1p8a s ALA 85 N -0.50 2.45 -0.18 0.00 0.00 -0.30 -0.37 121.76 122.86 1p8a s ALA 85 Ca 0.07 -1.01 0.09 0.00 0.00 0.00 0.00 51.96 51.11 1p8a s ALA 85 Cb -0.12 -0.85 -0.23 0.00 0.00 0.00 0.00 23.12 21.93 1p8a s ALA 85 CO 0.02 0.49 0.14 1.28 0.00 0.00 0.00 175.76 177.69 1p8a n LEU 86 N 2.60 1.42 0.00 0.00 4.32 0.13 -0.84 117.00 124.63 1p8a n LEU 86 Ca -0.17 0.07 -0.02 0.00 -0.02 0.00 0.00 56.01 55.87 1p8a n LEU 86 Cb 0.52 -0.21 -0.00 0.00 -1.62 0.00 0.00 43.42 42.11 1p8a n LEU 86 CO 0.25 0.66 0.00 0.47 -1.22 0.00 0.00 177.39 177.55 1p8a n ASP 87 N -3.06 1.25 -0.09 -1.43 9.92 -1.26 -4.27 116.55 117.61 1p8a n ASP 87 Ca -0.33 -1.11 -0.16 0.00 -0.53 0.00 0.00 54.79 52.66 1p8a n ASP 87 Cb 1.07 0.00 -0.13 0.00 -0.64 0.00 0.00 41.12 41.42 1p8a n ASP 87 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1p8a n GLN 88 N -0.49 0.68 -0.40 -1.24 6.02 -1.26 -4.19 117.38 116.49 1p8a n GLN 88 Ca -0.00 0.15 0.32 0.00 -0.01 0.00 0.00 57.00 57.46 1p8a n GLN 88 Cb 0.03 -1.58 0.60 0.00 1.02 0.00 0.00 30.24 30.32 1p8a n GLN 88 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1p8a h SER 89 N 0.01 0.31 0.21 1.08 4.64 -1.97 0.27 113.55 118.11 1p8a h SER 89 Ca -0.52 0.13 -0.01 0.00 -0.47 0.00 0.00 61.79 60.92 1p8a h SER 89 Cb 2.01 0.10 0.00 0.00 -0.31 0.00 0.00 62.40 64.21 1p8a h SER 89 CO -0.01 -0.12 -0.10 0.40 -0.87 0.00 0.00 176.83 176.13 1p8a h ILE 90 N 0.17 0.00 0.00 0.95 5.03 -1.86 0.16 117.51 121.97 1p8a h ILE 90 Ca 0.76 -0.40 0.00 0.00 -0.12 0.00 0.00 64.86 65.10 1p8a h ILE 90 Cb 2.24 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 36.03 1p8a h ILE 90 CO -0.41 0.00 0.27 0.25 -0.68 0.00 0.00 178.15 177.58 1p8a h LEU 91 N -0.68 0.00 0.02 1.44 5.85 -1.50 0.49 115.31 120.93 1p8a h LEU 91 Ca -0.03 0.00 -0.35 0.00 0.84 0.00 0.00 57.88 58.34 1p8a h LEU 91 Cb 0.22 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.19 1p8a h LEU 91 CO 0.05 0.00 -2.13 -0.24 -0.34 0.00 0.00 178.44 175.77 1p8a n SER 92 N -2.53 0.86 -0.10 1.25 2.88 0.88 -4.10 113.62 112.76 1p8a n SER 92 Ca -0.02 0.14 -0.13 0.00 -1.33 0.00 0.00 58.87 57.53 1p8a n SER 92 Cb 0.31 0.20 -0.05 0.00 -0.75 0.00 0.00 64.21 63.92 1p8a n SER 92 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1p8a n ASP 93 N -3.02 1.89 -0.35 -3.46 9.92 0.57 -3.95 116.55 118.16 1p8a n ASP 93 Ca -0.30 0.43 0.30 0.00 -0.53 0.00 0.00 54.79 54.69 1p8a n ASP 93 Cb 1.08 -0.82 0.61 0.00 -0.64 0.00 0.00 41.12 41.35 1p8a n ASP 93 CO 0.00 0.00 0.00 -0.29 0.13 0.00 0.00 177.20 177.04 1p8a h ILE 94 N -1.00 0.41 0.00 0.53 -0.00 -0.31 1.90 117.51 119.04 1p8a h ILE 94 Ca -0.17 -0.07 0.00 0.00 -0.00 0.00 0.00 64.86 64.61 1p8a h ILE 94 Cb 1.01 0.17 0.00 0.00 -0.00 0.00 0.00 36.82 38.00 1p8a h ILE 94 CO -0.11 0.04 0.00 0.59 -0.00 0.00 0.00 178.15 178.67 1p8a n ASN 95 N -4.49 0.00 0.16 2.19 3.02 -1.24 -2.92 115.26 111.97 1p8a n ASN 95 Ca 0.28 0.19 0.12 0.00 -0.03 0.00 0.00 54.58 55.14 1p8a n ASN 95 Cb 1.11 -0.39 0.17 0.00 -0.61 0.00 0.00 39.78 40.06 1p8a n ASN 95 CO 0.00 0.00 0.00 -1.28 -2.62 0.00 0.00 177.26 173.36 1p8a h SER 96 N 0.00 0.00 0.00 6.41 0.87 0.29 -3.35 113.55 117.77 1p8a h SER 96 Ca 0.00 -0.02 -0.34 0.00 -1.23 0.00 0.00 61.79 60.20 1p8a h SER 96 Cb 0.36 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.26 1p8a h SER 96 CO 0.00 0.01 -2.29 1.15 -0.53 0.00 0.00 176.83 175.17 1p8a n MET 97 N -2.75 0.75 -1.69 2.24 0.00 -1.16 -4.96 117.12 109.54 1p8a n MET 97 Ca 0.03 0.08 -0.43 0.00 0.00 0.00 0.00 57.70 57.38 1p8a n MET 97 Cb 0.51 -1.46 -0.02 0.00 0.00 0.00 0.00 33.22 32.25 1p8a n MET 97 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 1p8a n LYS 98 N -2.99 2.19 0.00 3.17 5.02 -1.15 -4.96 118.16 119.44 1p8a n LYS 98 Ca -0.37 0.78 0.00 0.00 -2.02 0.00 0.00 58.31 56.70 1p8a n LYS 98 Cb 0.99 -2.43 0.00 0.00 -0.02 0.00 0.00 35.03 33.57 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 1.54 0.00 0.00 1.97 -0.04 -1.26 -4.98 135.00 132.23 1p8a n PRO 99 Ca 0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 1p8a n PRO 99 Cb 0.34 -0.15 0.00 0.00 -0.04 0.00 0.00 33.50 33.65 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 0.00 0.00 -4.40 3.54 7.64 -1.26 -5.00 113.62 114.15 1p8a n SER 100 Ca 0.00 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.66 1p8a n SER 100 Cb 0.00 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.09 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 0.00 1.68 -2.00 6.43 3.02 -1.26 -4.87 115.26 118.26 1p8a n ASN 101 Ca 0.00 -2.54 0.00 0.00 -0.03 0.00 0.00 54.58 52.01 1p8a n ASN 101 Cb 0.00 -1.55 0.00 0.00 -0.61 0.00 0.00 39.78 37.62 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 -0.99 2.34 -3.61 0.00 3.00 -1.24 -4.95 116.66 111.22 1p8a n ARG 103 Ca 0.00 -3.04 -0.05 0.00 -0.01 0.00 0.00 57.85 54.75 1p8a n ARG 103 Cb 0.00 -2.14 -0.03 0.00 0.00 0.00 0.00 32.46 30.29 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 -3.26 -2.05 0.13 7.54 0.00 -1.26 -4.32 121.76 118.53 1p8a s ALA 104 Ca 0.55 1.69 0.10 0.00 0.00 0.00 0.00 51.96 54.30 1p8a s ALA 104 Cb 0.47 -0.72 -0.04 0.00 0.00 0.00 0.00 23.12 22.83 1p8a s ALA 104 CO 0.10 -0.41 -0.25 0.21 0.00 0.00 0.00 175.76 175.40 1p8a s LYS 105 N -1.66 1.34 0.00 0.00 2.20 -1.03 -4.96 119.74 115.64 1p8a s LYS 105 Ca 0.07 -1.32 0.00 0.00 -0.36 0.00 0.00 55.97 54.36 1p8a s LYS 105 Cb -0.01 -1.77 -0.04 0.00 -1.51 0.00 0.00 37.83 34.51 1p8a s LYS 105 CO -0.04 0.41 0.05 0.14 -0.36 0.00 0.00 175.35 175.55 1p8a s VAL 106 N -1.15 4.54 0.01 4.02 -7.23 -1.26 -0.92 120.40 118.40 1p8a s VAL 106 Ca 0.13 -0.49 0.02 0.00 -1.81 0.00 0.00 61.98 59.83 1p8a s VAL 106 Cb -0.10 -3.06 -0.01 0.00 0.56 0.00 0.00 36.38 33.77 1p8a s VAL 106 CO 0.06 0.35 -0.07 0.68 -0.31 0.00 0.00 175.10 175.81 1p8a s VAL 107 N -1.17 0.51 -0.09 1.32 -7.23 -0.05 -4.95 120.40 108.74 1p8a s VAL 107 Ca 0.22 -0.46 -0.24 0.00 -1.81 0.00 0.00 61.98 59.69 1p8a s VAL 107 Cb -0.12 -0.47 -0.03 0.00 0.56 0.00 0.00 36.38 36.33 1p8a s VAL 107 CO 0.13 0.02 0.74 -0.22 -0.31 0.00 0.00 175.10 175.46 1p8a s LEU 108 N -0.48 4.28 -0.01 1.32 2.96 -1.26 -1.16 118.68 124.32 1p8a s LEU 108 Ca -0.00 1.19 -0.03 0.00 -0.22 0.00 0.00 54.13 55.06 1p8a s LEU 108 Cb -0.04 -3.13 -0.27 0.00 0.50 0.00 0.00 46.19 43.25 1p8a s LEU 108 CO -0.00 -0.19 0.79 -0.26 -1.32 0.00 0.00 176.35 175.36 1p8a h PHE 109 N 6.94 0.44 0.00 5.38 -1.00 -1.29 -3.47 116.94 123.93 1p8a h PHE 109 Ca -0.38 -0.32 0.00 0.00 2.81 0.00 0.00 57.97 60.08 1p8a h PHE 109 Cb 1.18 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 40.72 1p8a h PHE 109 CO 0.67 1.41 0.00 0.27 -1.61 0.00 0.00 178.31 179.05 1p8a n ASN 110 N -3.44 0.00 -4.27 2.17 0.23 -1.26 -5.04 115.26 103.65 1p8a n ASN 110 Ca -0.18 0.00 -0.29 0.00 -0.53 0.00 0.00 54.58 53.57 1p8a n ASN 110 Cb 1.05 0.00 0.19 0.00 -2.08 0.00 0.00 39.78 38.93 1p8a n ASN 110 CO 0.00 0.00 0.00 -2.16 -0.93 0.00 0.00 177.26 174.17 1p8a s PRO 111 N -2.00 0.19 -0.33 -0.53 0.04 -1.26 -4.26 135.00 126.85 1p8a s PRO 111 Ca 0.00 -0.02 -0.05 0.00 0.04 0.00 0.00 61.00 60.97 1p8a s PRO 111 Cb 0.00 -1.76 -0.14 0.00 0.04 0.00 0.00 34.50 32.64 1p8a s PRO 111 CO 0.00 -2.78 2.47 -0.35 0.04 0.00 0.00 177.00 176.38 1p8a n PRO 112 N -4.11 1.65 0.00 0.56 -0.04 -1.26 -3.35 135.00 128.44 1p8a n PRO 112 Ca 0.11 -0.95 0.00 0.00 -0.04 0.00 0.00 63.50 62.62 1p8a n PRO 112 Cb 0.59 -2.04 0.00 0.00 -0.04 0.00 0.00 33.50 32.01 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 3.10 0.00 0.00 3.54 5.15 -1.26 -4.98 115.26 120.81 1p8a n ASN 113 Ca 0.35 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.33 1p8a n ASN 113 Cb 0.46 0.01 0.00 0.00 -0.53 0.00 0.00 39.78 39.73 1p8a n ASN 113 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1p8a n GLY 114 N 1.04 -1.21 3.62 8.20 0.00 -1.21 -4.62 105.19 111.02 1p8a n GLY 114 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.55 1p8a n GLY 114 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1p8a n VAL 115 N -1.39 0.50 -2.88 1.61 0.24 -1.26 -4.85 118.33 110.30 1p8a n VAL 115 Ca 0.00 -0.21 -0.35 0.00 -2.04 0.00 0.00 64.34 61.73 1p8a n VAL 115 Cb 0.00 -2.06 -0.07 0.00 -1.47 0.00 0.00 33.84 30.24 1p8a n VAL 115 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1p8a s ASP 116 N 5.59 7.13 -0.84 -1.34 -1.08 -1.26 -4.88 116.67 119.99 1p8a s ASP 116 Ca 0.97 1.67 -0.01 0.00 -0.52 0.00 0.00 52.55 54.66 1p8a s ASP 116 Cb -0.60 -2.52 0.21 0.00 -1.46 0.00 0.00 42.92 38.54 1p8a s ASP 116 CO 0.46 -0.15 0.71 -1.81 0.52 0.00 0.00 175.17 174.90 1p8a s ASP 117 N -1.85 5.80 -0.23 -0.34 1.01 -1.26 -3.73 116.67 116.07 1p8a s ASP 117 Ca 0.53 -3.60 -0.29 0.00 0.71 0.00 0.00 52.55 49.90 1p8a s ASP 117 Cb -0.15 -1.88 -0.01 0.00 1.01 0.00 0.00 42.92 41.89 1p8a s ASP 117 CO 0.20 -0.20 1.41 -2.16 0.21 0.00 0.00 175.17 174.62 1p8a s PRO 118 N -1.16 3.97 -0.10 8.23 0.04 -1.26 -4.86 135.00 139.87 1p8a s PRO 118 Ca 0.26 1.53 0.02 0.00 0.04 0.00 0.00 61.00 62.84 1p8a s PRO 118 Cb -0.09 -3.90 -0.07 0.00 0.04 0.00 0.00 34.50 30.47 1p8a s PRO 118 CO -0.11 -1.05 -0.07 0.98 0.04 0.00 0.00 177.00 176.78 1p8a n TYR 119 N 7.58 0.00 -2.80 0.56 9.36 -1.26 -4.88 117.16 125.72 1p8a n TYR 119 Ca 0.16 0.00 -0.10 0.00 3.32 0.00 0.00 57.90 61.28 1p8a n TYR 119 Cb 0.45 -0.40 0.07 0.00 -0.63 0.00 0.00 39.34 38.83 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 -2.72 -1.65 -3.65 2.98 4.19 -1.26 -4.90 117.16 110.16 1p8a n TYR 120 Ca -0.18 -2.49 -0.04 0.00 3.31 0.00 0.00 57.90 58.50 1p8a n TYR 120 Cb 0.71 0.96 -0.07 0.00 0.49 0.00 0.00 39.34 41.43 1p8a n TYR 120 CO 0.00 0.00 0.00 0.45 0.91 0.00 0.00 176.86 178.22 1p8a s SER 121 N -1.72 -0.12 0.56 2.98 0.15 -1.26 -5.00 113.70 109.29 1p8a s SER 121 Ca 0.26 0.22 0.35 0.00 0.70 0.00 0.00 55.95 57.49 1p8a s SER 121 Cb 0.35 0.23 1.51 0.00 -1.71 0.00 0.00 66.02 66.40 1p8a s SER 121 CO -0.05 -0.04 1.78 0.28 1.20 0.00 0.00 173.24 176.40 1p8a h SER 122 N 3.31 0.00 -2.22 5.45 0.02 -2.00 -3.41 113.55 114.71 1p8a h SER 122 Ca -0.27 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.10 1p8a h SER 122 Cb 1.19 0.00 0.03 0.00 0.14 0.00 0.00 62.40 63.76 1p8a h SER 122 CO 0.17 0.00 1.11 0.47 -1.14 0.00 0.00 176.83 177.44 1p8a n ASP 123 N -4.04 3.72 0.00 3.07 8.00 -1.26 -2.41 116.55 123.63 1p8a n ASP 123 Ca 0.24 0.97 0.00 0.00 0.71 0.00 0.00 54.79 56.70 1p8a n ASP 123 Cb 1.21 -1.45 0.00 0.00 -0.02 0.00 0.00 41.12 40.86 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 4.32 2.98 0.28 0.44 0.00 -1.26 -4.24 105.19 107.71 1p8a n GLY 124 Ca 0.21 -0.83 -0.00 0.00 0.00 0.00 0.00 46.02 45.39 1p8a n GLY 124 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1p8a n PHE 125 N 0.00 0.04 0.20 1.61 3.01 -1.01 0.27 117.46 121.58 1p8a n PHE 125 Ca 0.00 0.89 -0.10 0.00 1.01 0.00 0.00 57.45 59.26 1p8a n PHE 125 Cb 0.00 -0.78 -0.05 0.00 -0.01 0.00 0.00 39.48 38.64 1p8a n PHE 125 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1p8a h PRO 126 N 0.00 -0.55 -0.42 -1.08 0.13 -1.91 -2.87 132.00 125.31 1p8a h PRO 126 Ca 0.26 0.04 0.08 0.00 -0.87 0.00 0.00 66.00 65.50 1p8a h PRO 126 Cb 0.44 0.12 -0.07 0.00 0.13 0.00 0.00 31.00 31.63 1p8a h PRO 126 CO -0.72 -0.33 0.01 1.15 -0.23 0.00 0.00 178.00 177.88 1p8a h THR 127 N -1.13 0.69 -0.01 1.56 2.02 -1.44 -1.39 112.91 113.21 1p8a h THR 127 Ca -0.06 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.09 1p8a h THR 127 Cb 0.47 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 1p8a h THR 127 CO 0.10 0.02 -0.05 -0.03 0.37 0.00 0.00 175.52 175.92 1p8a h MET 128 N 0.12 -0.06 -0.72 6.66 -1.53 0.38 0.43 114.93 120.21 1p8a h MET 128 Ca 0.21 0.00 0.12 0.00 -3.44 0.00 0.00 59.70 56.59 1p8a h MET 128 Cb 0.29 0.01 -0.13 0.00 -0.55 0.00 0.00 31.60 31.23 1p8a h MET 128 CO -0.34 -0.04 -0.37 0.35 0.14 0.00 0.00 176.91 176.65 1p8a h PHE 129 N -0.06 -1.05 -1.00 1.39 3.57 -1.32 0.83 116.94 119.31 1p8a h PHE 129 Ca 0.00 0.09 0.18 0.00 3.53 0.00 0.00 57.97 61.77 1p8a h PHE 129 Cb 0.07 0.56 -0.10 0.00 2.79 0.00 0.00 35.95 39.27 1p8a h PHE 129 CO -0.44 -0.39 0.62 0.00 -2.23 0.00 0.00 178.31 175.86 1p8a h ALA 130 N 1.05 1.68 0.54 2.41 0.00 -0.61 -1.32 119.26 123.01 1p8a h ALA 130 Ca 0.26 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 1p8a h ALA 130 Cb 0.56 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.26 1p8a h ALA 130 CO -0.78 -0.03 -0.26 0.77 0.00 0.00 0.00 179.25 178.95 1p8a h SER 131 N 0.79 -0.61 -0.83 0.00 0.02 0.52 0.35 113.55 113.78 1p8a h SER 131 Ca 0.56 -0.05 0.19 0.00 -0.84 0.00 0.00 61.79 61.65 1p8a h SER 131 Cb 0.85 0.16 -0.15 0.00 0.14 0.00 0.00 62.40 63.39 1p8a h SER 131 CO -0.35 -0.24 -0.04 0.40 -1.14 0.00 0.00 176.83 175.46 1p8a h ILE 132 N -1.04 0.22 0.39 3.27 1.08 -0.23 0.87 117.51 122.07 1p8a h ILE 132 Ca -0.07 -0.02 -0.02 0.00 -0.39 0.00 0.00 64.86 64.36 1p8a h ILE 132 Cb 0.63 0.16 0.00 0.00 -3.07 0.00 0.00 36.82 34.54 1p8a h ILE 132 CO 0.12 0.01 -0.19 -1.28 -0.69 0.00 0.00 178.15 176.12 1p8a h SER 133 N 0.06 -0.44 -0.56 1.72 0.87 -1.19 -0.96 113.55 113.04 1p8a h SER 133 Ca 0.45 0.02 0.16 0.00 -1.23 0.00 0.00 61.79 61.19 1p8a h SER 133 Cb 0.81 0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.86 1p8a h SER 133 CO -0.77 -0.07 0.89 0.07 -0.53 0.00 0.00 176.83 176.41 1p8a h LYS 134 N -1.01 0.00 -0.25 2.24 5.09 0.22 2.14 116.57 125.00 1p8a h LYS 134 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.69 1p8a h LYS 134 Cb 0.40 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.73 1p8a h LYS 134 CO 0.09 0.00 0.00 -1.91 -2.09 0.00 0.00 179.45 175.54 1p8a n GLU 135 N -3.16 2.79 -0.00 0.07 4.07 0.25 -4.48 120.64 120.18 1p8a n GLU 135 Ca 0.12 -2.37 0.00 0.00 -0.06 0.00 0.00 57.16 54.85 1p8a n GLU 135 Cb 1.07 -1.50 -0.01 0.00 -0.06 0.00 0.00 31.44 30.94 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 -0.16 1.07 -0.02 5.31 1.56 0.72 -4.29 117.12 121.31 1p8a n MET 136 Ca 0.15 -0.01 -0.18 0.00 -0.27 0.00 0.00 57.70 57.39 1p8a n MET 136 Cb 0.62 -1.03 -0.13 0.00 2.15 0.00 0.00 33.22 34.82 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 0.00 0.14 0.00 2.12 1.79 -1.55 -2.12 116.57 116.95 1p8a h LYS 137 Ca -0.01 -0.24 0.00 0.00 -2.18 0.00 0.00 60.65 58.22 1p8a h LYS 137 Cb 0.34 0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.08 1p8a h LYS 137 CO 0.00 1.12 0.00 -0.35 -1.08 0.00 0.00 179.45 179.14 1p8a n PRO 138 N -4.30 0.11 -0.03 3.15 -0.04 -1.26 -2.91 135.00 129.72 1p8a n PRO 138 Ca -0.17 0.04 -0.03 0.00 -0.04 0.00 0.00 63.50 63.30 1p8a n PRO 138 Cb 0.69 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.64 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 -1.44 0.00 0.14 0.54 7.35 -1.24 -3.68 117.46 119.12 1p8a n PHE 139 Ca 0.08 0.00 0.19 0.00 -0.76 0.00 0.00 57.45 56.96 1p8a n PHE 139 Cb 0.28 -0.19 0.75 0.00 0.35 0.00 0.00 39.48 40.67 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 -0.38 0.00 0.00 -2.13 5.85 -1.55 2.10 115.31 119.21 1p8a h LEU 140 Ca 0.00 0.00 -0.22 0.00 0.84 0.00 0.00 57.88 58.50 1p8a h LEU 140 Cb 0.38 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.37 1p8a h LEU 140 CO 0.00 0.00 -1.41 0.74 -0.34 0.00 0.00 178.44 177.43 1p8a h THR 141 N 0.00 0.80 0.00 1.05 2.02 -1.69 2.18 112.91 117.27 1p8a h THR 141 Ca 0.16 -2.46 0.00 0.00 0.77 0.00 0.00 66.41 64.88 1p8a h THR 141 Cb 1.03 2.31 0.00 0.00 -1.74 0.00 0.00 68.15 69.75 1p8a h THR 141 CO -0.00 0.46 -0.98 -0.62 0.37 0.00 0.00 175.52 174.74 1p8a n GLU 142 N -3.03 1.50 -0.68 6.66 1.02 0.62 -3.95 120.64 122.78 1p8a n GLU 142 Ca -0.11 -0.04 -0.08 0.00 -0.02 0.00 0.00 57.16 56.92 1p8a n GLU 142 Cb 0.93 -1.27 0.02 0.00 -0.02 0.00 0.00 31.44 31.09 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 -1.54 0.74 -3.68 -0.32 -0.00 0.68 -4.74 115.22 106.37 1p8a n HIS 143 Ca 0.02 -1.45 -0.23 0.00 0.46 0.00 0.00 57.72 56.52 1p8a n HIS 143 Cb 0.29 -0.71 0.05 0.00 -0.12 0.00 0.00 29.99 29.50 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 0.92 -0.40 1.71 1.57 0.00 -1.26 -4.86 105.19 102.86 1p8a n GLY 144 Ca 0.14 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.33 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 -4.49 0.18 0.00 0.99 4.77 -1.17 -5.08 117.00 112.20 1p8a n LEU 145 Ca -0.16 0.34 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 1p8a n LEU 145 Cb 0.62 0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.88 1p8a n LEU 145 CO 0.68 -0.72 0.00 -0.38 -1.33 0.00 0.00 177.39 175.64