#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i8f n SER 6 N 0.00 0.00 -1.51 0.00 2.88 -1.26 -3.96 113.62 109.76 1i8f n SER 6 Ca 0.00 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.64 1i8f n SER 6 Cb 0.00 0.00 0.34 0.00 -0.75 0.00 0.00 64.21 63.80 1i8f n SER 6 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1i8f n LYS 7 N 0.00 3.45 -1.83 -1.46 4.76 -1.26 -4.47 118.16 117.35 1i8f n LYS 7 Ca 0.00 -2.74 -0.11 0.00 -2.87 0.00 0.00 58.31 52.59 1i8f n LYS 7 Cb 0.00 -1.81 0.07 0.00 -1.84 0.00 0.00 35.03 31.44 1i8f n LYS 7 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1i8f h PHE 9 N 1.92 0.74 0.00 0.00 3.57 -1.92 -0.64 116.94 120.62 1i8f h PHE 9 Ca 0.15 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.58 1i8f h PHE 9 Cb 1.40 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 39.92 1i8f h PHE 9 CO 0.72 0.63 -0.05 0.00 -2.23 0.00 0.00 178.31 177.38 1i8f h ALA 10 N 1.43 1.01 0.00 2.41 0.00 -1.96 0.24 119.26 122.38 1i8f h ALA 10 Ca 0.16 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1i8f h ALA 10 Cb 0.26 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1i8f h ALA 10 CO -0.00 0.06 -0.53 0.25 0.00 0.00 0.00 179.25 179.03 1i8f n THR 11 N -3.16 1.34 -0.09 0.00 -2.24 -1.10 -4.89 114.28 104.14 1i8f n THR 11 Ca 0.01 0.26 -0.23 0.00 -2.27 0.00 0.00 64.05 61.82 1i8f n THR 11 Cb 0.35 -1.95 -0.12 0.00 -2.10 0.00 0.00 70.33 66.52 1i8f n THR 11 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1i8f n LEU 12 N -3.95 2.32 -0.15 3.22 4.77 -0.38 -4.56 117.00 118.26 1i8f n LEU 12 Ca -0.08 0.23 -0.06 0.00 -0.03 0.00 0.00 56.01 56.07 1i8f n LEU 12 Cb 0.27 -0.95 0.02 0.00 -2.33 0.00 0.00 43.42 40.43 1i8f n LEU 12 CO 0.10 0.64 1.05 1.23 -1.33 0.00 0.00 177.39 179.07 1i8f h GLY 13 N 0.15 0.66 0.92 -0.72 0.00 -1.11 -2.81 103.07 100.15 1i8f h GLY 13 Ca -0.51 -0.22 -0.03 0.00 0.00 0.00 0.00 47.33 46.57 1i8f h GLY 13 CO -0.17 0.19 0.11 0.00 0.00 0.00 0.00 176.54 176.67 1i8f h ALA 14 N 1.20 0.45 -0.76 3.60 0.00 -0.78 0.95 119.26 123.92 1i8f h ALA 14 Ca 0.18 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1i8f h ALA 14 Cb -0.00 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1i8f h ALA 14 CO -0.08 0.09 0.32 1.15 0.00 0.00 0.00 179.25 180.74 1i8f h THR 15 N 0.40 1.25 -0.34 0.00 2.02 -1.78 0.49 112.91 114.95 1i8f h THR 15 Ca 0.11 -0.76 -0.10 0.00 0.77 0.00 0.00 66.41 66.44 1i8f h THR 15 Cb 0.25 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 1i8f h THR 15 CO -0.00 0.31 -0.17 -0.07 0.37 0.00 0.00 175.52 175.95 1i8f h LEU 16 N 1.09 0.74 -0.41 2.58 3.38 -1.35 0.25 115.31 121.59 1i8f h LEU 16 Ca 0.26 -0.41 0.04 0.00 0.09 0.00 0.00 57.88 57.85 1i8f h LEU 16 Cb 0.17 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 1i8f h LEU 16 CO -0.03 0.99 0.20 -0.61 0.09 0.00 0.00 178.44 179.08 1i8f h GLN 17 N 0.49 0.39 0.00 1.13 4.15 -0.38 -2.04 115.11 118.85 1i8f h GLN 17 Ca 0.07 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.47 1i8f h GLN 17 Cb 0.72 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.32 1i8f h GLN 17 CO 0.05 0.26 0.00 -0.44 -1.93 0.00 0.00 178.83 176.77 1i8f h ASP 18 N 0.40 0.00 0.00 -0.69 3.32 -0.62 -3.04 116.42 115.79 1i8f h ASP 18 Ca 0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.23 1i8f h ASP 18 Cb 0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.65 1i8f h ASP 18 CO -0.13 0.00 -0.05 -1.20 -1.72 0.00 0.00 179.24 176.14 1i8f n SER 19 N -2.64 1.99 -4.67 6.45 7.64 0.05 -4.92 113.62 117.52 1i8f n SER 19 Ca 0.01 -1.61 -0.46 0.00 1.01 0.00 0.00 58.87 57.82 1i8f n SER 19 Cb 0.24 0.04 -0.04 0.00 -1.01 0.00 0.00 64.21 63.44 1i8f n SER 19 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1i8f n ILE 20 N 0.48 0.31 -0.18 0.44 2.08 -1.14 -0.87 119.36 120.48 1i8f n ILE 20 Ca 0.16 -0.08 0.00 0.00 0.56 0.00 0.00 62.75 63.39 1i8f n ILE 20 Cb 0.44 -1.50 0.00 0.00 -0.75 0.00 0.00 39.64 37.83 1i8f n ILE 20 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1i8f n GLY 21 N 2.97 2.10 3.92 7.39 0.00 0.48 -4.99 105.19 117.06 1i8f n GLY 21 Ca 0.15 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 1i8f n GLY 21 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i8f s LYS 22 N -0.18 3.29 0.02 1.61 1.02 -0.05 -4.79 119.74 120.67 1i8f s LYS 22 Ca 0.00 -0.80 -0.30 0.00 0.02 0.00 0.00 55.97 54.89 1i8f s LYS 22 Cb 0.00 -2.82 -0.04 0.00 -0.52 0.00 0.00 37.83 34.46 1i8f s LYS 22 CO 0.00 0.44 0.98 -1.14 -0.92 0.00 0.00 175.35 174.71 1i8f s GLN 23 N -3.75 4.59 0.10 1.68 0.74 -1.26 -0.91 119.66 120.85 1i8f s GLN 23 Ca 0.34 1.43 0.09 0.00 0.05 0.00 0.00 55.36 57.26 1i8f s GLN 23 Cb -0.09 -3.44 -0.04 0.00 1.10 0.00 0.00 33.01 30.54 1i8f s GLN 23 CO 0.28 0.00 -0.22 0.14 -0.55 0.00 0.00 175.29 174.94 1i8f s VAL 24 N 0.80 1.80 -0.22 1.34 -7.23 0.88 -1.50 120.40 116.26 1i8f s VAL 24 Ca 0.51 -1.56 -0.12 0.00 -1.81 0.00 0.00 61.98 59.00 1i8f s VAL 24 Cb -0.22 -1.62 -0.05 0.00 0.56 0.00 0.00 36.38 35.05 1i8f s VAL 24 CO 0.28 -0.02 0.21 -0.22 -0.31 0.00 0.00 175.10 175.05 1i8f s LEU 25 N -1.89 4.14 -0.12 1.32 2.96 0.10 -1.84 118.68 123.36 1i8f s LEU 25 Ca 0.08 0.23 0.03 0.00 -0.22 0.00 0.00 54.13 54.24 1i8f s LEU 25 Cb -0.10 -2.20 0.01 0.00 0.50 0.00 0.00 46.19 44.40 1i8f s LEU 25 CO 0.04 0.05 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.23 1i8f s VAL 26 N 1.01 1.89 -0.00 1.68 1.01 0.44 -0.48 120.40 125.94 1i8f s VAL 26 Ca 0.10 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 61.22 1i8f s VAL 26 Cb -0.13 -1.67 -0.03 0.00 0.00 0.00 0.00 36.38 34.54 1i8f s VAL 26 CO 0.04 0.52 -0.05 -0.54 0.00 0.00 0.00 175.10 175.07 1i8f s LYS 27 N 0.73 2.61 0.35 2.72 1.02 -0.94 -1.58 119.74 124.66 1i8f s LYS 27 Ca -0.10 -0.69 0.09 0.00 0.02 0.00 0.00 55.97 55.29 1i8f s LYS 27 Cb -0.16 -2.54 -0.07 0.00 -0.52 0.00 0.00 37.83 34.54 1i8f s LYS 27 CO 0.01 0.61 -0.07 -0.51 -0.92 0.00 0.00 175.35 174.47 1i8f s LEU 28 N -1.40 2.73 0.96 3.17 1.43 -0.24 0.02 118.68 125.34 1i8f s LEU 28 Ca 0.17 -1.24 -0.13 0.00 -1.03 0.00 0.00 54.13 51.91 1i8f s LEU 28 Cb -0.11 -0.93 0.04 0.00 0.03 0.00 0.00 46.19 45.22 1i8f s LEU 28 CO 0.08 -0.27 0.39 0.54 0.23 0.00 0.00 176.35 177.31 1i8f n ARG 29 N -0.80 -0.36 -2.27 1.70 5.12 -0.40 -3.01 116.66 116.63 1i8f n ARG 29 Ca -0.05 -0.07 -0.18 0.00 -1.93 0.00 0.00 57.85 55.62 1i8f n ARG 29 Cb 0.64 -1.85 -0.01 0.00 -1.16 0.00 0.00 32.46 30.08 1i8f n ARG 29 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1i8f n ASP 30 N -1.35 -5.26 -3.67 0.55 8.00 -1.26 -3.57 116.55 110.00 1i8f n ASP 30 Ca 0.06 0.02 -0.25 0.00 0.71 0.00 0.00 54.79 55.34 1i8f n ASP 30 Cb 0.54 -4.33 0.07 0.00 -0.02 0.00 0.00 41.12 37.38 1i8f n ASP 30 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1i8f n SER 31 N -1.41 -5.52 -4.87 -2.24 7.64 -1.22 -5.01 113.62 100.99 1i8f n SER 31 Ca -0.21 -0.61 -0.36 0.00 1.01 0.00 0.00 58.87 58.70 1i8f n SER 31 Cb 0.66 -4.73 -0.06 0.00 -1.01 0.00 0.00 64.21 59.07 1i8f n SER 31 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1i8f s HIS 32 N -3.33 3.61 -0.11 1.43 3.76 -1.16 -4.97 115.29 114.52 1i8f s HIS 32 Ca 0.54 0.69 0.00 0.00 -0.15 0.00 0.00 55.06 56.15 1i8f s HIS 32 Cb -0.25 -2.08 0.02 0.00 1.11 0.00 0.00 32.58 31.39 1i8f s HIS 32 CO 0.76 0.62 -0.10 -2.00 -0.85 0.00 0.00 174.74 173.17 1i8f s GLU 33 N -1.53 1.69 0.05 1.40 2.12 -1.26 -1.08 118.70 120.09 1i8f s GLU 33 Ca 0.26 -0.33 0.05 0.00 0.36 0.00 0.00 54.97 55.30 1i8f s GLU 33 Cb -0.14 -1.65 -0.02 0.00 0.26 0.00 0.00 34.13 32.58 1i8f s GLU 33 CO 0.14 -0.21 -0.14 0.42 -0.54 0.00 0.00 175.26 174.93 1i8f s ILE 34 N 1.50 1.08 0.07 -3.70 1.01 -0.61 -0.86 121.20 119.68 1i8f s ILE 34 Ca 0.02 -1.13 0.06 0.00 0.00 0.00 0.00 60.65 59.60 1i8f s ILE 34 Cb -0.13 -1.01 -0.03 0.00 0.01 0.00 0.00 42.46 41.30 1i8f s ILE 34 CO -0.07 -0.11 -0.17 -0.13 0.00 0.00 0.00 174.94 174.47 1i8f s ARG 35 N -1.41 0.98 -0.23 2.79 0.52 -0.34 -0.42 118.95 120.85 1i8f s ARG 35 Ca -0.00 -0.95 -0.37 0.00 -0.52 0.00 0.00 55.73 53.88 1i8f s ARG 35 Cb -0.09 -1.07 0.15 0.00 0.52 0.00 0.00 34.95 34.47 1i8f s ARG 35 CO 0.02 0.25 1.38 0.20 0.02 0.00 0.00 175.30 177.17 1i8f s GLY 36 N -1.57 -0.29 -0.18 -3.53 0.00 -0.76 -0.43 107.32 100.57 1i8f s GLY 36 Ca 0.02 1.63 -0.24 0.00 0.00 0.00 0.00 44.72 46.13 1i8f s GLY 36 CO 0.02 0.50 0.77 -0.42 0.00 0.00 0.00 173.10 173.98 1i8f s ILE 37 N -2.07 4.92 0.02 0.90 -1.09 -0.32 -0.09 121.20 123.49 1i8f s ILE 37 Ca 0.13 1.49 -0.30 0.00 -2.23 0.00 0.00 60.65 59.74 1i8f s ILE 37 Cb 0.01 -4.08 -0.05 0.00 -1.58 0.00 0.00 42.46 36.76 1i8f s ILE 37 CO -0.04 0.05 1.31 -0.22 -1.23 0.00 0.00 174.94 174.82 1i8f s LEU 38 N 2.06 4.33 0.00 2.97 2.96 -0.09 -1.38 118.68 129.53 1i8f s LEU 38 Ca 0.35 2.06 0.00 0.00 -0.22 0.00 0.00 54.13 56.33 1i8f s LEU 38 Cb -0.16 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 42.96 1i8f s LEU 38 CO 0.12 -0.62 0.00 -2.11 -1.32 0.00 0.00 176.35 172.42 1i8f n ARG 39 N 4.73 3.28 -3.59 1.98 1.85 -0.46 0.18 116.66 124.63 1i8f n ARG 39 Ca 0.11 0.00 -0.07 0.00 -1.00 0.00 0.00 57.85 56.89 1i8f n ARG 39 Cb 0.45 -0.98 -0.02 0.00 -1.05 0.00 0.00 32.46 30.86 1i8f n ARG 39 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1i8f s SER 40 N -2.76 -0.32 0.20 2.89 0.15 -1.19 -4.82 113.70 107.85 1i8f s SER 40 Ca 0.00 -0.15 -0.22 0.00 0.70 0.00 0.00 55.95 56.27 1i8f s SER 40 Cb 0.00 0.46 0.05 0.00 -1.71 0.00 0.00 66.02 64.82 1i8f s SER 40 CO 0.00 -0.78 0.65 0.72 1.20 0.00 0.00 173.24 175.04 1i8f s PHE 41 N -3.28 -0.40 0.45 3.44 -0.71 -1.26 -1.08 117.98 115.14 1i8f s PHE 41 Ca 0.07 0.10 0.03 0.00 -1.04 0.00 0.00 56.93 56.09 1i8f s PHE 41 Cb -0.01 0.62 -0.01 0.00 -1.21 0.00 0.00 43.02 42.40 1i8f s PHE 41 CO -0.05 -0.99 0.10 -0.40 -1.34 0.00 0.00 175.22 172.54 1i8f n ASP 42 N -0.41 1.93 -0.15 1.98 5.68 -0.93 -4.98 116.55 119.68 1i8f n ASP 42 Ca -0.12 -3.26 0.25 0.00 -0.50 0.00 0.00 54.79 51.16 1i8f n ASP 42 Cb 0.63 0.85 0.67 0.00 -1.14 0.00 0.00 41.12 42.13 1i8f n ASP 42 CO 0.00 0.00 0.00 0.06 -1.33 0.00 0.00 177.20 175.93 1i8f h GLN 43 N 0.00 0.08 -0.42 0.11 -0.00 -1.95 0.17 115.11 113.10 1i8f h GLN 43 Ca -0.36 -0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.28 1i8f h GLN 43 Cb 1.28 -0.02 0.00 0.00 -0.00 0.00 0.00 27.48 28.74 1i8f h GLN 43 CO 0.58 0.05 0.00 0.72 -0.00 0.00 0.00 178.83 180.19 1i8f n HIS 44 N -4.34 0.56 -1.59 0.06 8.25 -1.26 -3.20 115.22 113.70 1i8f n HIS 44 Ca 0.17 -0.28 -0.14 0.00 -0.26 0.00 0.00 57.72 57.20 1i8f n HIS 44 Cb 0.83 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.89 1i8f n HIS 44 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1i8f n VAL 45 N 0.78 -0.14 -2.32 1.59 0.31 0.05 -4.14 118.33 114.47 1i8f n VAL 45 Ca 0.15 0.00 -0.37 0.00 -0.01 0.00 0.00 64.34 64.11 1i8f n VAL 45 Cb 0.38 -1.66 -0.02 0.00 -0.91 0.00 0.00 33.84 31.63 1i8f n VAL 45 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 1i8f s ASN 46 N -2.75 6.43 0.14 4.52 0.01 -1.26 -3.23 114.94 118.80 1i8f s ASN 46 Ca 0.00 2.28 0.11 0.00 -0.71 0.00 0.00 52.86 54.54 1i8f s ASN 46 Cb 0.00 -2.60 -0.04 0.00 0.41 0.00 0.00 41.25 39.01 1i8f s ASN 46 CO 0.00 -0.74 -0.26 -0.76 -1.51 0.00 0.00 177.10 173.84 1i8f s LEU 47 N -2.72 2.34 -0.20 0.60 1.43 0.15 -2.18 118.68 118.10 1i8f s LEU 47 Ca 0.60 -0.77 -0.00 0.00 -1.03 0.00 0.00 54.13 52.92 1i8f s LEU 47 Cb -0.28 -1.17 0.01 0.00 0.03 0.00 0.00 46.19 44.78 1i8f s LEU 47 CO 0.35 0.15 -0.15 -0.22 0.23 0.00 0.00 176.35 176.72 1i8f s LEU 48 N -2.18 2.43 0.05 1.79 2.96 -0.25 -0.62 118.68 122.86 1i8f s LEU 48 Ca 0.15 -0.62 0.09 0.00 -0.22 0.00 0.00 54.13 53.53 1i8f s LEU 48 Cb -0.09 -1.56 -0.03 0.00 0.50 0.00 0.00 46.19 45.00 1i8f s LEU 48 CO 0.07 -0.02 -0.26 -0.76 -1.32 0.00 0.00 176.35 174.05 1i8f s LEU 49 N 1.34 2.18 0.11 -0.68 1.43 -0.18 -1.36 118.68 121.52 1i8f s LEU 49 Ca 0.05 -0.60 0.10 0.00 -1.03 0.00 0.00 54.13 52.65 1i8f s LEU 49 Cb -0.14 -1.29 -0.04 0.00 0.03 0.00 0.00 46.19 44.76 1i8f s LEU 49 CO -0.10 0.26 -0.25 -1.61 0.23 0.00 0.00 176.35 174.88 1i8f s GLU 50 N -1.28 1.55 -1.46 1.70 2.02 -0.48 -0.99 118.70 119.75 1i8f s GLU 50 Ca 0.12 -1.27 -0.11 0.00 0.02 0.00 0.00 54.97 53.72 1i8f s GLU 50 Cb -0.10 -1.96 0.07 0.00 0.10 0.00 0.00 34.13 32.24 1i8f s GLU 50 CO 0.02 0.47 0.78 -0.25 0.02 0.00 0.00 175.26 176.30 1i8f n ASP 51 N 1.01 -4.73 -4.83 -0.19 8.00 -0.75 -1.17 116.55 113.89 1i8f n ASP 51 Ca -0.17 -0.58 -0.32 0.00 0.71 0.00 0.00 54.79 54.42 1i8f n ASP 51 Cb 0.53 -3.82 -0.02 0.00 -0.02 0.00 0.00 41.12 37.79 1i8f n ASP 51 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1i8f s ALA 52 N -3.17 2.95 -0.00 2.24 0.00 0.13 -4.60 121.76 119.31 1i8f s ALA 52 Ca 0.53 0.29 -0.06 0.00 0.00 0.00 0.00 51.96 52.72 1i8f s ALA 52 Cb -0.27 -3.16 0.00 0.00 0.00 0.00 0.00 23.12 19.69 1i8f s ALA 52 CO 0.65 -0.39 0.12 -1.83 0.00 0.00 0.00 175.76 174.31 1i8f s GLU 53 N -3.95 0.42 -0.03 0.00 -1.05 0.43 -0.41 118.70 114.12 1i8f s GLU 53 Ca 0.61 -0.34 -0.03 0.00 -0.15 0.00 0.00 54.97 55.06 1i8f s GLU 53 Cb -0.12 0.17 -0.04 0.00 -0.44 0.00 0.00 34.13 33.70 1i8f s GLU 53 CO 0.31 -0.09 0.16 -1.21 0.95 0.00 0.00 175.26 175.37 1i8f s GLU 54 N -1.19 3.38 -0.29 -4.83 2.02 0.61 -1.20 118.70 117.19 1i8f s GLU 54 Ca -0.13 -0.31 -0.02 0.00 0.02 0.00 0.00 54.97 54.53 1i8f s GLU 54 Cb -0.07 -3.08 0.04 0.00 0.10 0.00 0.00 34.13 31.13 1i8f s GLU 54 CO 0.01 0.69 -0.00 0.42 0.02 0.00 0.00 175.26 176.40 1i8f s ILE 55 N -1.25 3.05 -0.14 -1.63 1.09 -0.04 0.47 121.20 122.75 1i8f s ILE 55 Ca 0.24 -1.29 0.01 0.00 -1.10 0.00 0.00 60.65 58.52 1i8f s ILE 55 Cb -0.12 -2.72 0.02 0.00 -1.06 0.00 0.00 42.46 38.57 1i8f s ILE 55 CO 0.15 -0.06 -0.17 -0.63 -0.10 0.00 0.00 174.94 174.13 1i8f s ILE 56 N 1.28 1.74 -1.35 2.92 1.01 0.67 -4.21 121.20 123.27 1i8f s ILE 56 Ca -0.04 -0.76 -0.09 0.00 0.00 0.00 0.00 60.65 59.76 1i8f s ILE 56 Cb -0.19 -1.59 0.00 0.00 0.01 0.00 0.00 42.46 40.70 1i8f s ILE 56 CO -0.01 0.49 0.47 0.47 0.00 0.00 0.00 174.94 176.36 1i8f n ASP 57 N 4.44 -1.65 0.00 3.58 8.00 -1.26 -0.07 116.55 129.59 1i8f n ASP 57 Ca -0.19 -1.08 0.00 0.00 0.71 0.00 0.00 54.79 54.23 1i8f n ASP 57 Cb 0.51 -2.77 0.00 0.00 -0.02 0.00 0.00 41.12 38.84 1i8f n ASP 57 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1i8f n GLY 58 N -2.01 1.46 3.82 0.44 0.00 -1.26 -4.97 105.19 102.67 1i8f n GLY 58 Ca -0.24 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.40 1i8f n GLY 58 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1i8f s ASN 59 N -2.07 7.02 -0.23 1.61 0.02 0.90 -5.05 114.94 117.15 1i8f s ASN 59 Ca 0.00 1.27 -0.17 0.00 -1.02 0.00 0.00 52.86 52.94 1i8f s ASN 59 Cb 0.00 -2.36 -0.03 0.00 0.02 0.00 0.00 41.25 38.87 1i8f s ASN 59 CO 0.00 0.17 0.47 -0.69 0.02 0.00 0.00 177.10 177.07 1i8f s VAL 60 N -1.29 5.13 -0.34 1.60 1.01 -1.26 -0.24 120.40 125.00 1i8f s VAL 60 Ca 0.35 0.83 -0.00 0.00 0.00 0.00 0.00 61.98 63.15 1i8f s VAL 60 Cb -0.18 -3.79 0.08 0.00 0.00 0.00 0.00 36.38 32.49 1i8f s VAL 60 CO 0.20 0.16 0.07 -0.31 0.00 0.00 0.00 175.10 175.22 1i8f s TYR 61 N 1.81 3.50 0.27 5.22 1.51 0.18 -4.94 117.35 124.90 1i8f s TYR 61 Ca 0.21 -2.40 -0.29 0.00 -1.01 0.00 0.00 57.07 53.57 1i8f s TYR 61 Cb -0.15 -2.66 -0.09 0.00 -0.11 0.00 0.00 41.96 38.94 1i8f s TYR 61 CO 0.09 -0.91 1.24 0.15 -1.11 0.00 0.00 175.55 175.01 1i8f s LYS 62 N 1.11 4.46 0.00 -0.62 1.02 -1.26 -0.28 119.74 124.16 1i8f s LYS 62 Ca 0.03 2.02 0.00 0.00 0.02 0.00 0.00 55.97 58.04 1i8f s LYS 62 Cb -0.21 -3.15 0.00 0.00 -0.52 0.00 0.00 37.83 33.95 1i8f s LYS 62 CO -0.04 -0.08 0.00 0.54 -0.92 0.00 0.00 175.35 174.84 1i8f n ARG 63 N 1.56 3.21 0.00 1.68 5.12 0.46 -4.93 116.66 123.76 1i8f n ARG 63 Ca 0.02 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.94 1i8f n ARG 63 Cb 0.43 -0.60 0.00 0.00 -1.16 0.00 0.00 32.46 31.13 1i8f n ARG 63 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1i8f n GLY 64 N 1.19 1.64 3.66 -0.13 0.00 -0.96 -4.79 105.19 105.80 1i8f n GLY 64 Ca 0.00 -0.64 -0.42 0.00 0.00 0.00 0.00 46.02 44.96 1i8f n GLY 64 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1i8f s THR 65 N 0.00 4.81 -0.04 2.61 2.01 -1.26 0.22 115.64 123.98 1i8f s THR 65 Ca 0.00 1.74 0.03 0.00 0.31 0.00 0.00 61.69 63.77 1i8f s THR 65 Cb 0.00 -4.19 0.00 0.00 0.01 0.00 0.00 72.50 68.33 1i8f s THR 65 CO 0.00 -0.06 -0.13 -0.32 -0.69 0.00 0.00 174.62 173.42 1i8f s MET 66 N 2.63 1.50 -0.20 4.92 1.75 -0.16 -5.00 119.30 124.74 1i8f s MET 66 Ca 0.39 -0.46 -0.07 0.00 -1.25 0.00 0.00 55.69 54.30 1i8f s MET 66 Cb -0.16 -1.31 -0.04 0.00 2.84 0.00 0.00 34.83 36.17 1i8f s MET 66 CO 0.09 0.15 0.07 0.08 -0.65 0.00 0.00 175.02 174.76 1i8f s VAL 67 N 0.25 4.70 -0.06 10.11 1.01 -1.26 -1.01 120.40 134.13 1i8f s VAL 67 Ca -0.06 -0.06 0.06 0.00 0.00 0.00 0.00 61.98 61.92 1i8f s VAL 67 Cb -0.12 -3.13 -0.01 0.00 0.00 0.00 0.00 36.38 33.12 1i8f s VAL 67 CO 0.02 0.43 -0.25 -0.69 0.00 0.00 0.00 175.10 174.61 1i8f s VAL 68 N 0.65 2.08 -0.08 2.92 1.01 0.20 -4.97 120.40 122.21 1i8f s VAL 68 Ca 0.03 -1.06 -0.28 0.00 0.00 0.00 0.00 61.98 60.68 1i8f s VAL 68 Cb -0.13 -1.75 -0.02 0.00 0.00 0.00 0.00 36.38 34.48 1i8f s VAL 68 CO 0.02 0.57 0.93 -0.13 0.00 0.00 0.00 175.10 176.49 1i8f s ARG 69 N -0.16 4.44 0.52 2.72 0.52 -1.26 -0.68 118.95 125.05 1i8f s ARG 69 Ca -0.04 1.27 0.29 0.00 -0.52 0.00 0.00 55.73 56.74 1i8f s ARG 69 Cb -0.14 -3.51 1.38 0.00 0.52 0.00 0.00 34.95 33.20 1i8f s ARG 69 CO 0.04 -0.20 2.02 0.78 0.02 0.00 0.00 175.30 177.96 1i8f h GLY 70 N 7.58 0.00 0.77 -3.53 0.00 -1.70 -2.85 103.07 103.34 1i8f h GLY 70 Ca -0.35 0.00 0.17 0.00 0.00 0.00 0.00 47.33 47.16 1i8f h GLY 70 CO 0.81 0.00 0.44 -2.09 0.00 0.00 0.00 176.54 175.70 1i8f h GLU 71 N 0.00 0.03 -0.52 4.80 4.57 -1.86 -1.05 114.58 120.56 1i8f h GLU 71 Ca -0.00 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1i8f h GLU 71 Cb 0.44 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.02 1i8f h GLU 71 CO 0.02 0.02 0.00 0.09 -1.18 0.00 0.00 179.01 177.96 1i8f n ASN 72 N -4.36 3.44 -4.73 1.04 4.13 -1.07 -4.98 115.26 108.72 1i8f n ASN 72 Ca 0.12 -2.04 -0.41 0.00 1.68 0.00 0.00 54.58 53.93 1i8f n ASN 72 Cb 0.67 -0.36 -0.04 0.00 -1.54 0.00 0.00 39.78 38.51 1i8f n ASN 72 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1i8f s VAL 73 N -1.07 4.27 -0.23 2.41 1.01 -0.40 -1.27 120.40 125.13 1i8f s VAL 73 Ca 0.35 1.88 -0.19 0.00 0.00 0.00 0.00 61.98 64.02 1i8f s VAL 73 Cb 0.19 -4.20 -0.17 0.00 0.00 0.00 0.00 36.38 32.19 1i8f s VAL 73 CO 0.23 0.29 0.05 0.18 0.00 0.00 0.00 175.10 175.85 1i8f n LEU 74 N 2.75 1.92 -3.66 3.92 4.77 0.10 -4.90 117.00 121.92 1i8f n LEU 74 Ca 0.03 0.39 -0.10 0.00 -0.03 0.00 0.00 56.01 56.30 1i8f n LEU 74 Cb 0.48 -0.93 -0.03 0.00 -2.33 0.00 0.00 43.42 40.61 1i8f n LEU 74 CO 0.52 0.39 0.36 0.72 -1.33 0.00 0.00 177.39 178.05 1i8f s PHE 75 N -2.41 -0.28 -0.04 -1.77 -0.12 -1.21 -4.99 117.98 107.16 1i8f s PHE 75 Ca -0.32 -0.04 0.01 0.00 -0.05 0.00 0.00 56.93 56.53 1i8f s PHE 75 Cb 0.08 0.52 0.02 0.00 -0.63 0.00 0.00 43.02 43.02 1i8f s PHE 75 CO 0.57 -0.97 -0.03 0.42 -0.05 0.00 0.00 175.22 175.16 1i8f s ILE 76 N -3.84 0.46 -0.15 -4.49 1.01 -1.26 -2.21 121.20 110.72 1i8f s ILE 76 Ca 0.07 -0.07 -0.03 0.00 0.00 0.00 0.00 60.65 60.61 1i8f s ILE 76 Cb -0.02 -0.51 0.05 0.00 0.01 0.00 0.00 42.46 41.99 1i8f s ILE 76 CO -0.04 0.21 0.06 -0.55 0.00 0.00 0.00 174.94 174.62 1i8f s SER 77 N 0.98 2.32 0.18 3.58 0.15 0.36 -4.97 113.70 116.31 1i8f s SER 77 Ca -0.10 -0.55 -0.32 0.00 0.70 0.00 0.00 55.95 55.68 1i8f s SER 77 Cb -0.14 -0.38 -0.11 0.00 -1.71 0.00 0.00 66.02 63.67 1i8f s SER 77 CO -0.00 -0.30 1.68 -2.84 1.20 0.00 0.00 173.24 172.97 1i8f s PRO 78 N 2.02 4.16 0.24 5.44 0.02 -1.26 -0.72 135.00 144.90 1i8f s PRO 78 Ca 0.02 2.52 -0.31 0.00 0.02 0.00 0.00 61.00 63.25 1i8f s PRO 78 Cb -0.15 -3.17 -0.12 0.00 0.02 0.00 0.00 34.50 31.08 1i8f s PRO 78 CO -0.08 -0.72 1.67 0.08 -0.33 0.00 0.00 177.00 177.63 1i8f s VAL 79 N 1.37 2.03 0.09 3.83 1.01 -0.56 -4.86 120.40 123.32 1i8f s VAL 79 Ca 0.74 0.03 -0.31 0.00 0.00 0.00 0.00 61.98 62.44 1i8f s VAL 79 Cb -0.47 -3.02 -0.08 0.00 0.00 0.00 0.00 36.38 32.81 1i8f s VAL 79 CO 0.32 0.00 1.44 -2.84 0.00 0.00 0.00 175.10 174.02 1i8f s PRO 80 N 0.46 4.29 0.00 2.72 0.02 -1.26 -4.94 135.00 136.29 1i8f s PRO 80 Ca 0.70 2.11 0.00 0.00 0.02 0.00 0.00 61.00 63.83 1i8f s PRO 80 Cb -0.49 -3.34 0.00 0.00 0.02 0.00 0.00 34.50 30.69 1i8f s PRO 80 CO 0.39 -0.51 0.12 0.41 -0.33 0.00 0.00 177.00 177.07