#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i8f s THR 11 N 0.00 3.41 0.26 0.00 2.01 -1.26 -4.93 115.64 115.13 1i8f s THR 11 Ca 0.00 0.96 0.04 0.00 0.31 0.00 0.00 61.69 63.00 1i8f s THR 11 Cb 0.00 -3.44 -0.01 0.00 0.01 0.00 0.00 72.50 69.07 1i8f s THR 11 CO 0.00 -0.11 1.62 -0.07 -0.69 0.00 0.00 174.62 175.37 1i8f h LEU 12 N 1.75 0.33 -0.28 4.42 4.07 -2.05 -1.61 115.31 121.93 1i8f h LEU 12 Ca -0.49 -0.16 -0.07 0.00 0.08 0.00 0.00 57.88 57.23 1i8f h LEU 12 Cb 1.24 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 42.88 1i8f h LEU 12 CO 0.59 0.77 -0.11 1.23 -1.08 0.00 0.00 178.44 179.84 1i8f h GLY 13 N 1.29 0.62 1.14 0.83 0.00 -2.00 -2.33 103.07 102.62 1i8f h GLY 13 Ca 0.01 -0.54 -0.02 0.00 0.00 0.00 0.00 47.33 46.78 1i8f h GLY 13 CO 0.08 0.49 0.44 0.00 0.00 0.00 0.00 176.54 177.55 1i8f h ALA 14 N 0.76 1.25 -0.27 3.60 0.00 -1.92 -0.65 119.26 122.03 1i8f h ALA 14 Ca 0.07 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1i8f h ALA 14 Cb 0.61 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1i8f h ALA 14 CO 0.04 0.61 0.11 1.15 0.00 0.00 0.00 179.25 181.15 1i8f h THR 15 N 1.13 1.17 -0.20 0.00 2.02 -1.07 -1.83 112.91 114.14 1i8f h THR 15 Ca 0.28 -0.52 -0.09 0.00 0.77 0.00 0.00 66.41 66.85 1i8f h THR 15 Cb 0.03 1.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 1i8f h THR 15 CO -0.04 0.18 -0.29 -0.07 0.37 0.00 0.00 175.52 175.66 1i8f h LEU 16 N 0.28 0.39 -0.62 2.58 3.38 -1.16 -2.65 115.31 117.50 1i8f h LEU 16 Ca 0.09 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 1i8f h LEU 16 Cb 0.18 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1i8f h LEU 16 CO -0.01 0.67 0.17 -0.61 0.09 0.00 0.00 178.44 178.75 1i8f h GLN 17 N 0.34 0.99 0.00 1.13 5.75 -0.86 -2.07 115.11 120.39 1i8f h GLN 17 Ca 0.05 -0.23 0.00 0.00 -0.15 0.00 0.00 58.65 58.32 1i8f h GLN 17 Cb 0.68 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 29.10 1i8f h GLN 17 CO 0.05 0.89 0.00 -0.25 -2.65 0.00 0.00 178.83 176.87 1i8f n ASP 18 N -4.34 0.00 -0.02 -0.69 8.00 -0.71 -2.30 116.55 116.48 1i8f n ASP 18 Ca 0.04 0.32 0.11 0.00 0.71 0.00 0.00 54.79 55.97 1i8f n ASP 18 Cb 0.23 -0.42 0.07 0.00 -0.02 0.00 0.00 41.12 40.98 1i8f n ASP 18 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1i8f n SER 19 N -1.42 0.80 -4.71 -2.24 7.64 -0.79 -4.91 113.62 107.98 1i8f n SER 19 Ca 0.07 -0.66 -0.43 0.00 1.01 0.00 0.00 58.87 58.85 1i8f n SER 19 Cb 0.21 0.62 -0.03 0.00 -1.01 0.00 0.00 64.21 64.01 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 -1.44 0.47 -0.26 0.44 2.08 -0.98 -0.97 119.36 118.70 1i8f n ILE 20 Ca 0.05 -0.12 0.00 0.00 0.56 0.00 0.00 62.75 63.24 1i8f n ILE 20 Cb 0.34 -1.82 0.00 0.00 -0.75 0.00 0.00 39.64 37.41 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 3.02 1.19 3.71 7.39 0.00 0.91 -5.00 105.19 116.40 1i8f n GLY 21 Ca 0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.47 2.57 0.14 1.61 1.02 -0.14 -4.84 119.74 119.62 1i8f s LYS 22 Ca 0.00 -1.04 -0.30 0.00 0.02 0.00 0.00 55.97 54.65 1i8f s LYS 22 Cb 0.00 -2.45 -0.07 0.00 -0.52 0.00 0.00 37.83 34.79 1i8f s LYS 22 CO 0.00 0.46 1.17 -1.14 -0.92 0.00 0.00 175.35 174.92 1i8f s GLN 23 N -3.02 4.50 0.15 1.68 0.74 -1.26 -1.45 119.66 121.00 1i8f s GLN 23 Ca 0.29 1.79 0.08 0.00 0.05 0.00 0.00 55.36 57.57 1i8f s GLN 23 Cb -0.09 -3.29 -0.04 0.00 1.10 0.00 0.00 33.01 30.69 1i8f s GLN 23 CO 0.20 -0.10 -0.18 0.14 -0.55 0.00 0.00 175.29 174.80 1i8f s VAL 24 N 0.29 1.77 -0.20 1.34 -7.23 0.40 -0.80 120.40 115.97 1i8f s VAL 24 Ca 0.54 -1.85 -0.09 0.00 -1.81 0.00 0.00 61.98 58.77 1i8f s VAL 24 Cb -0.30 -1.78 -0.05 0.00 0.56 0.00 0.00 36.38 34.81 1i8f s VAL 24 CO 0.33 -0.29 0.11 -0.22 -0.31 0.00 0.00 175.10 174.72 1i8f s LEU 25 N -2.54 4.04 -0.05 1.32 2.96 0.20 -1.70 118.68 122.91 1i8f s LEU 25 Ca 0.14 0.16 0.03 0.00 -0.22 0.00 0.00 54.13 54.24 1i8f s LEU 25 Cb -0.06 -2.04 0.01 0.00 0.50 0.00 0.00 46.19 44.59 1i8f s LEU 25 CO 0.06 0.17 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.42 1i8f s VAL 26 N 0.43 1.23 0.03 1.68 1.01 0.96 -1.03 120.40 124.72 1i8f s VAL 26 Ca 0.06 -0.57 0.08 0.00 0.00 0.00 0.00 61.98 61.55 1i8f s VAL 26 Cb -0.12 -1.09 -0.03 0.00 0.00 0.00 0.00 36.38 35.14 1i8f s VAL 26 CO -0.01 0.37 -0.25 -0.54 0.00 0.00 0.00 175.10 174.68 1i8f s LYS 27 N 0.36 1.75 0.41 2.72 1.02 -0.93 -0.61 119.74 124.47 1i8f s LYS 27 Ca -0.09 -1.02 0.06 0.00 0.02 0.00 0.00 55.97 54.93 1i8f s LYS 27 Cb -0.13 -1.86 -0.07 0.00 -0.52 0.00 0.00 37.83 35.24 1i8f s LYS 27 CO 0.03 0.49 0.01 -0.51 -0.92 0.00 0.00 175.35 174.45 1i8f s LEU 28 N -1.08 2.75 0.91 3.17 1.43 -0.34 -0.17 118.68 125.35 1i8f s LEU 28 Ca 0.10 -1.41 -0.12 0.00 -1.03 0.00 0.00 54.13 51.68 1i8f s LEU 28 Cb -0.10 -0.83 0.07 0.00 0.03 0.00 0.00 46.19 45.36 1i8f s LEU 28 CO 0.01 -0.51 0.69 0.54 0.23 0.00 0.00 176.35 177.31 1i8f n ARG 29 N -0.98 -0.26 -2.23 1.70 5.12 -0.37 -2.98 116.66 116.65 1i8f n ARG 29 Ca -0.06 -0.02 -0.14 0.00 -1.93 0.00 0.00 57.85 55.69 1i8f n ARG 29 Cb 0.67 -2.05 -0.01 0.00 -1.16 0.00 0.00 32.46 29.91 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 -2.26 -4.42 -1.96 0.55 8.00 -1.26 -3.65 116.55 111.56 1i8f n ASP 30 Ca 0.09 0.00 -0.18 0.00 0.71 0.00 0.00 54.79 55.41 1i8f n ASP 30 Cb 0.53 -3.56 -0.02 0.00 -0.02 0.00 0.00 41.12 38.04 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 -0.74 -5.28 -4.77 -2.24 7.64 -1.20 -5.00 113.62 102.03 1i8f n SER 31 Ca -0.17 0.07 -0.40 0.00 1.01 0.00 0.00 58.87 59.38 1i8f n SER 31 Cb 0.62 -4.35 -0.06 0.00 -1.01 0.00 0.00 64.21 59.42 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 -2.87 3.87 -0.12 1.43 3.76 -1.16 -4.94 115.29 115.26 1i8f s HIS 32 Ca 0.00 1.59 0.01 0.00 -0.15 0.00 0.00 55.06 56.51 1i8f s HIS 32 Cb 0.00 -2.78 0.02 0.00 1.11 0.00 0.00 32.58 30.93 1i8f s HIS 32 CO 0.00 0.46 -0.12 -2.00 -0.85 0.00 0.00 174.74 172.23 1i8f s GLU 33 N -0.87 1.94 0.04 1.40 2.12 -1.26 -1.20 118.70 120.86 1i8f s GLU 33 Ca 0.36 -0.44 0.05 0.00 0.36 0.00 0.00 54.97 55.31 1i8f s GLU 33 Cb -0.22 -1.79 -0.02 0.00 0.26 0.00 0.00 34.13 32.35 1i8f s GLU 33 CO 0.25 -0.18 -0.15 0.42 -0.54 0.00 0.00 175.26 175.07 1i8f s ILE 34 N 1.35 1.17 0.05 -3.70 1.01 0.22 -1.18 121.20 120.11 1i8f s ILE 34 Ca -0.00 -1.01 0.06 0.00 0.00 0.00 0.00 60.65 59.71 1i8f s ILE 34 Cb -0.14 -1.05 -0.03 0.00 0.01 0.00 0.00 42.46 41.26 1i8f s ILE 34 CO -0.06 0.03 -0.18 -0.13 0.00 0.00 0.00 174.94 174.60 1i8f s ARG 35 N -1.11 1.15 -0.08 2.79 0.52 -0.46 -0.03 118.95 121.73 1i8f s ARG 35 Ca 0.02 -0.91 -0.32 0.00 -0.52 0.00 0.00 55.73 54.00 1i8f s ARG 35 Cb -0.08 -1.25 0.13 0.00 0.52 0.00 0.00 34.95 34.27 1i8f s ARG 35 CO 0.01 0.31 1.29 0.20 0.02 0.00 0.00 175.30 177.13 1i8f s GLY 36 N -1.31 -0.38 -0.28 -3.53 0.00 -0.69 -0.66 107.32 100.47 1i8f s GLY 36 Ca 0.05 1.03 -0.25 0.00 0.00 0.00 0.00 44.72 45.54 1i8f s GLY 36 CO 0.02 0.26 0.86 -0.42 0.00 0.00 0.00 173.10 173.83 1i8f s ILE 37 N -2.36 4.75 -0.22 0.90 -1.09 0.35 -0.46 121.20 123.08 1i8f s ILE 37 Ca 0.13 1.45 -0.29 0.00 -2.23 0.00 0.00 60.65 59.71 1i8f s ILE 37 Cb 0.03 -4.19 -0.03 0.00 -1.58 0.00 0.00 42.46 36.69 1i8f s ILE 37 CO -0.04 -0.23 1.77 -0.22 -1.23 0.00 0.00 174.94 174.99 1i8f s LEU 38 N 3.05 3.81 -0.20 2.97 2.96 -0.53 -0.70 118.68 130.04 1i8f s LEU 38 Ca 0.36 1.70 0.03 0.00 -0.22 0.00 0.00 54.13 56.00 1i8f s LEU 38 Cb -0.14 -3.53 -0.14 0.00 0.50 0.00 0.00 46.19 42.88 1i8f s LEU 38 CO 0.11 -1.42 -0.15 0.54 -1.32 0.00 0.00 176.35 174.11 1i8f n ARG 39 N 7.95 0.63 -3.69 1.98 5.12 0.02 -0.06 116.66 128.61 1i8f n ARG 39 Ca 0.21 0.10 -0.12 0.00 -1.93 0.00 0.00 57.85 56.11 1i8f n ARG 39 Cb 0.45 -1.41 -0.07 0.00 -1.16 0.00 0.00 32.46 30.28 1i8f n ARG 39 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1i8f s SER 40 N -5.84 -0.23 0.02 0.55 0.15 -1.05 -4.88 113.70 102.42 1i8f s SER 40 Ca -0.25 -0.08 -0.24 0.00 0.70 0.00 0.00 55.95 56.08 1i8f s SER 40 Cb 0.07 0.41 0.05 0.00 -1.71 0.00 0.00 66.02 64.84 1i8f s SER 40 CO 0.50 -0.66 0.54 0.72 1.20 0.00 0.00 173.24 175.53 1i8f s PHE 41 N -2.58 -0.46 0.22 3.44 -0.71 -1.26 -1.14 117.98 115.49 1i8f s PHE 41 Ca -0.05 0.61 0.00 0.00 -1.04 0.00 0.00 56.93 56.45 1i8f s PHE 41 Cb -0.01 0.34 -0.00 0.00 -1.21 0.00 0.00 43.02 42.14 1i8f s PHE 41 CO -0.03 -0.61 0.01 -0.40 -1.34 0.00 0.00 175.22 172.84 1i8f n ASP 42 N 0.60 2.45 0.08 1.98 5.68 -1.03 -4.98 116.55 121.33 1i8f n ASP 42 Ca -0.19 -2.00 0.09 0.00 -0.50 0.00 0.00 54.79 52.20 1i8f n ASP 42 Cb 0.59 0.20 0.40 0.00 -1.14 0.00 0.00 41.12 41.16 1i8f n ASP 42 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1i8f n GLN 43 N -0.55 0.10 -0.25 0.11 10.64 -1.26 -1.90 117.38 124.27 1i8f n GLN 43 Ca -0.09 0.39 0.10 0.00 -1.83 0.00 0.00 57.00 55.58 1i8f n GLN 43 Cb 0.29 -1.72 0.27 0.00 -0.86 0.00 0.00 30.24 28.22 1i8f n GLN 43 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 1i8f n HIS 44 N -1.92 0.67 -2.04 2.61 8.25 -1.26 -4.92 115.22 116.61 1i8f n HIS 44 Ca 0.02 -0.33 -0.19 0.00 -0.26 0.00 0.00 57.72 56.95 1i8f n HIS 44 Cb 0.17 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.24 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 1.24 -0.55 -2.33 1.59 0.31 -0.80 -4.10 118.33 113.69 1i8f n VAL 45 Ca 0.20 0.00 -0.35 0.00 -0.01 0.00 0.00 64.34 64.17 1i8f n VAL 45 Cb 0.52 -2.43 -0.01 0.00 -0.91 0.00 0.00 33.84 31.01 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 -2.40 6.04 0.07 4.52 0.01 -1.26 -3.46 114.94 118.45 1i8f s ASN 46 Ca 0.00 2.15 0.04 0.00 -0.71 0.00 0.00 52.86 54.34 1i8f s ASN 46 Cb 0.00 -2.58 -0.03 0.00 0.41 0.00 0.00 41.25 39.05 1i8f s ASN 46 CO 0.00 -1.00 -0.11 -0.76 -1.51 0.00 0.00 177.10 173.72 1i8f s LEU 47 N -3.44 2.31 -0.17 0.60 1.43 -0.01 -2.46 118.68 116.95 1i8f s LEU 47 Ca 0.68 -0.66 0.01 0.00 -1.03 0.00 0.00 54.13 53.13 1i8f s LEU 47 Cb -0.24 -0.33 0.02 0.00 0.03 0.00 0.00 46.19 45.67 1i8f s LEU 47 CO 0.28 -0.18 -0.19 -0.22 0.23 0.00 0.00 176.35 176.26 1i8f s LEU 48 N -1.92 2.07 0.07 1.79 2.96 -0.29 -0.70 118.68 122.66 1i8f s LEU 48 Ca -0.02 -0.62 0.09 0.00 -0.22 0.00 0.00 54.13 53.36 1i8f s LEU 48 Cb -0.08 -1.44 -0.03 0.00 0.50 0.00 0.00 46.19 45.15 1i8f s LEU 48 CO 0.01 0.00 -0.26 -0.76 -1.32 0.00 0.00 176.35 174.02 1i8f s LEU 49 N 1.26 2.21 0.28 -0.68 1.43 -0.22 -0.80 118.68 122.17 1i8f s LEU 49 Ca 0.04 -0.63 0.12 0.00 -1.03 0.00 0.00 54.13 52.63 1i8f s LEU 49 Cb -0.13 -1.22 -0.05 0.00 0.03 0.00 0.00 46.19 44.82 1i8f s LEU 49 CO -0.11 0.22 -0.20 -1.61 0.23 0.00 0.00 176.35 174.88 1i8f s GLU 50 N -1.47 1.68 -1.44 1.70 2.02 0.12 -1.41 118.70 119.89 1i8f s GLU 50 Ca 0.12 -1.77 -0.09 0.00 0.02 0.00 0.00 54.97 53.25 1i8f s GLU 50 Cb -0.10 -1.76 0.05 0.00 0.10 0.00 0.00 34.13 32.42 1i8f s GLU 50 CO 0.03 0.33 0.71 -0.25 0.02 0.00 0.00 175.26 176.09 1i8f n ASP 51 N -0.62 -4.93 -4.85 -0.19 8.00 -0.86 -0.49 116.55 112.62 1i8f n ASP 51 Ca -0.05 -0.47 -0.31 0.00 0.71 0.00 0.00 54.79 54.66 1i8f n ASP 51 Cb 0.60 -3.99 0.01 0.00 -0.02 0.00 0.00 41.12 37.73 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 -3.13 2.98 -0.08 2.24 0.00 0.13 -4.50 121.76 119.40 1i8f s ALA 52 Ca 0.46 0.02 -0.16 0.00 0.00 0.00 0.00 51.96 52.28 1i8f s ALA 52 Cb -0.22 -3.12 0.03 0.00 0.00 0.00 0.00 23.12 19.81 1i8f s ALA 52 CO 0.56 -0.76 0.38 -1.83 0.00 0.00 0.00 175.76 174.12 1i8f s GLU 53 N -4.92 0.61 0.04 0.00 -1.05 0.17 -0.24 118.70 113.31 1i8f s GLU 53 Ca 0.57 0.18 -0.09 0.00 -0.15 0.00 0.00 54.97 55.47 1i8f s GLU 53 Cb -0.12 0.28 -0.05 0.00 -0.44 0.00 0.00 34.13 33.80 1i8f s GLU 53 CO 0.50 -0.14 0.35 -1.21 0.95 0.00 0.00 175.26 175.71 1i8f s GLU 54 N -0.63 3.70 -0.37 -4.83 2.02 0.58 -1.35 118.70 117.82 1i8f s GLU 54 Ca -0.07 0.09 -0.09 0.00 0.02 0.00 0.00 54.97 54.92 1i8f s GLU 54 Cb -0.04 -3.05 0.04 0.00 0.10 0.00 0.00 34.13 31.19 1i8f s GLU 54 CO 0.03 0.61 0.17 0.42 0.02 0.00 0.00 175.26 176.51 1i8f s ILE 55 N -1.33 4.18 -0.21 -1.63 1.09 -0.33 0.24 121.20 123.21 1i8f s ILE 55 Ca 0.30 -1.08 0.01 0.00 -1.10 0.00 0.00 60.65 58.79 1i8f s ILE 55 Cb -0.14 -3.39 0.04 0.00 -1.06 0.00 0.00 42.46 37.91 1i8f s ILE 55 CO 0.17 -0.26 -0.13 -0.63 -0.10 0.00 0.00 174.94 173.98 1i8f s ILE 56 N 1.47 1.89 -1.40 2.92 1.01 0.57 -4.35 121.20 123.31 1i8f s ILE 56 Ca 0.01 -1.16 -0.06 0.00 0.00 0.00 0.00 60.65 59.43 1i8f s ILE 56 Cb -0.20 -1.91 0.04 0.00 0.01 0.00 0.00 42.46 40.40 1i8f s ILE 56 CO 0.04 0.21 0.86 0.47 0.00 0.00 0.00 174.94 176.52 1i8f n ASP 57 N 4.60 -3.02 0.00 3.58 8.00 -1.26 -0.64 116.55 127.80 1i8f n ASP 57 Ca -0.16 -0.78 0.00 0.00 0.71 0.00 0.00 54.79 54.56 1i8f n ASP 57 Cb 0.46 -4.07 0.00 0.00 -0.02 0.00 0.00 41.12 37.49 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 -1.64 2.76 3.76 0.44 0.00 -1.26 -4.99 105.19 104.26 1i8f n GLY 58 Ca -0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.17 7.35 -0.22 1.61 0.02 0.19 -5.05 114.94 116.66 1i8f s ASN 59 Ca 0.00 1.60 -0.12 0.00 -1.02 0.00 0.00 52.86 53.32 1i8f s ASN 59 Cb 0.00 -2.50 -0.05 0.00 0.02 0.00 0.00 41.25 38.73 1i8f s ASN 59 CO 0.00 0.14 0.23 -0.69 0.02 0.00 0.00 177.10 176.80 1i8f s VAL 60 N -0.76 5.32 -0.30 1.60 1.01 -1.26 -0.31 120.40 125.69 1i8f s VAL 60 Ca 0.37 0.35 -0.00 0.00 0.00 0.00 0.00 61.98 62.70 1i8f s VAL 60 Cb -0.22 -3.57 0.06 0.00 0.00 0.00 0.00 36.38 32.65 1i8f s VAL 60 CO 0.26 0.33 -0.01 -0.31 0.00 0.00 0.00 175.10 175.37 1i8f s TYR 61 N 1.04 3.34 0.24 5.22 1.51 0.14 -4.95 117.35 123.89 1i8f s TYR 61 Ca 0.11 -2.14 -0.30 0.00 -1.01 0.00 0.00 57.07 53.73 1i8f s TYR 61 Cb -0.14 -2.24 -0.09 0.00 -0.11 0.00 0.00 41.96 39.38 1i8f s TYR 61 CO 0.05 -0.85 1.18 0.15 -1.11 0.00 0.00 175.55 174.96 1i8f s LYS 62 N 1.17 4.53 0.00 -0.62 1.02 -1.26 -0.31 119.74 124.27 1i8f s LYS 62 Ca -0.03 1.90 0.00 0.00 0.02 0.00 0.00 55.97 57.86 1i8f s LYS 62 Cb -0.20 -3.19 0.00 0.00 -0.52 0.00 0.00 37.83 33.92 1i8f s LYS 62 CO -0.03 0.01 0.00 0.54 -0.92 0.00 0.00 175.35 174.95 1i8f n ARG 63 N 1.75 1.15 0.00 1.68 5.12 0.67 -4.92 116.66 122.10 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 0.44 -0.94 0.00 0.00 -1.16 0.00 0.00 32.46 30.81 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 2.25 1.07 3.76 -0.13 0.00 -0.81 -4.84 105.19 106.49 1i8f n GLY 64 Ca 0.00 -0.81 -0.40 0.00 0.00 0.00 0.00 46.02 44.82 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 4.51 -0.12 2.61 2.01 -1.26 0.20 115.64 123.59 1i8f s THR 65 Ca 0.00 1.69 -0.06 0.00 0.31 0.00 0.00 61.69 63.63 1i8f s THR 65 Cb 0.00 -4.14 0.05 0.00 0.01 0.00 0.00 72.50 68.42 1i8f s THR 65 CO 0.00 0.45 0.27 -0.32 -0.69 0.00 0.00 174.62 174.34 1i8f s MET 66 N -0.67 0.23 -0.18 4.92 0.00 -0.50 -4.96 119.30 118.14 1i8f s MET 66 Ca 0.37 0.58 -0.08 0.00 0.00 0.00 0.00 55.69 56.56 1i8f s MET 66 Cb -0.22 -0.10 -0.04 0.00 0.00 0.00 0.00 34.83 34.46 1i8f s MET 66 CO 0.25 -0.17 0.09 0.14 0.00 0.00 0.00 175.02 175.33 1i8f s VAL 67 N 1.33 5.04 -0.14 10.11 -7.23 -1.26 -1.05 120.40 127.19 1i8f s VAL 67 Ca -0.09 0.05 0.01 0.00 -1.81 0.00 0.00 61.98 60.15 1i8f s VAL 67 Cb -0.10 -3.27 0.00 0.00 0.56 0.00 0.00 36.38 33.57 1i8f s VAL 67 CO -0.09 0.47 -0.18 -0.69 -0.31 0.00 0.00 175.10 174.29 1i8f s VAL 68 N 0.24 2.46 -0.04 1.32 1.01 0.12 -4.96 120.40 120.55 1i8f s VAL 68 Ca 0.06 -0.85 -0.30 0.00 0.00 0.00 0.00 61.98 60.89 1i8f s VAL 68 Cb -0.12 -2.01 -0.03 0.00 0.00 0.00 0.00 36.38 34.22 1i8f s VAL 68 CO -0.00 0.53 1.15 -0.13 0.00 0.00 0.00 175.10 176.65 1i8f s ARG 69 N 0.70 4.39 0.44 2.72 0.52 -1.26 -0.82 118.95 125.64 1i8f s ARG 69 Ca -0.08 1.62 0.15 0.00 -0.52 0.00 0.00 55.73 56.90 1i8f s ARG 69 Cb -0.16 -3.51 1.06 0.00 0.52 0.00 0.00 34.95 32.86 1i8f s ARG 69 CO 0.01 -0.36 1.98 0.78 0.02 0.00 0.00 175.30 177.74 1i8f h GLY 70 N 7.82 0.53 0.02 -3.53 0.00 -1.71 -2.61 103.07 103.60 1i8f h GLY 70 Ca -0.35 -0.15 0.25 0.00 0.00 0.00 0.00 47.33 47.07 1i8f h GLY 70 CO 0.85 0.09 0.66 1.05 0.00 0.00 0.00 176.54 179.19 1i8f h GLU 71 N 0.38 0.35 -0.43 4.80 4.11 -1.88 -0.84 114.58 121.07 1i8f h GLU 71 Ca 0.27 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.68 1i8f h GLU 71 Cb 0.56 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1i8f h GLU 71 CO -0.07 0.23 0.00 0.09 0.07 0.00 0.00 179.01 179.33 1i8f n ASN 72 N -4.54 3.24 -4.73 3.06 4.13 -0.98 -4.97 115.26 110.47 1i8f n ASN 72 Ca 0.23 -1.94 -0.42 0.00 1.68 0.00 0.00 54.58 54.13 1i8f n ASN 72 Cb 0.84 -0.29 -0.03 0.00 -1.54 0.00 0.00 39.78 38.76 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 -1.10 3.70 -0.18 2.41 1.01 -0.32 -1.24 120.40 124.67 1i8f s VAL 73 Ca 0.33 1.33 -0.16 0.00 0.00 0.00 0.00 61.98 63.48 1i8f s VAL 73 Cb 0.18 -3.85 -0.12 0.00 0.00 0.00 0.00 36.38 32.59 1i8f s VAL 73 CO 0.24 0.17 0.01 0.18 0.00 0.00 0.00 175.10 175.70 1i8f n LEU 74 N 3.09 1.85 -3.62 3.92 4.77 0.76 -4.88 117.00 122.89 1i8f n LEU 74 Ca 0.06 0.50 -0.11 0.00 -0.03 0.00 0.00 56.01 56.44 1i8f n LEU 74 Cb 0.45 -0.92 -0.04 0.00 -2.33 0.00 0.00 43.42 40.59 1i8f n LEU 74 CO 0.56 -0.02 0.25 0.72 -1.33 0.00 0.00 177.39 177.57 1i8f s PHE 75 N -2.34 -0.25 -0.06 -1.77 -0.12 -1.14 -5.02 117.98 107.28 1i8f s PHE 75 Ca -0.24 -0.05 0.01 0.00 -0.05 0.00 0.00 56.93 56.60 1i8f s PHE 75 Cb 0.05 0.37 0.02 0.00 -0.63 0.00 0.00 43.02 42.83 1i8f s PHE 75 CO 0.43 -0.80 -0.06 0.42 -0.05 0.00 0.00 175.22 175.16 1i8f s ILE 76 N -3.81 0.74 -0.06 -4.49 1.01 -1.26 -2.18 121.20 111.14 1i8f s ILE 76 Ca 0.04 -0.20 -0.01 0.00 0.00 0.00 0.00 60.65 60.49 1i8f s ILE 76 Cb 0.00 -0.75 0.03 0.00 0.01 0.00 0.00 42.46 41.75 1i8f s ILE 76 CO -0.09 0.28 0.00 -0.55 0.00 0.00 0.00 174.94 174.58 1i8f s SER 77 N 1.11 1.22 0.23 3.58 0.15 -0.20 -4.98 113.70 114.82 1i8f s SER 77 Ca -0.07 -0.06 -0.30 0.00 0.70 0.00 0.00 55.95 56.21 1i8f s SER 77 Cb -0.14 -0.37 -0.10 0.00 -1.71 0.00 0.00 66.02 63.70 1i8f s SER 77 CO -0.01 -0.16 1.50 -2.84 1.20 0.00 0.00 173.24 172.93 1i8f s PRO 78 N 1.66 4.23 -0.19 5.44 0.02 -1.26 0.63 135.00 145.52 1i8f s PRO 78 Ca -0.00 2.37 -0.29 0.00 0.02 0.00 0.00 61.00 63.09 1i8f s PRO 78 Cb -0.13 -3.11 -0.03 0.00 0.02 0.00 0.00 34.50 31.26 1i8f s PRO 78 CO -0.04 -0.51 1.57 0.08 -0.33 0.00 0.00 177.00 177.77 1i8f s VAL 79 N 0.30 3.76 -2.00 3.83 1.01 0.02 -4.83 120.40 122.48 1i8f s VAL 79 Ca 0.63 0.88 0.00 0.00 0.00 0.00 0.00 61.98 63.49 1i8f s VAL 79 Cb -0.43 -3.72 0.01 0.00 0.00 0.00 0.00 36.38 32.24 1i8f s VAL 79 CO 0.41 -0.24 0.52 -2.65 0.00 0.00 0.00 175.10 173.14