#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i8f h ALA 14 N 0.00 -0.20 -0.04 4.61 0.00 -2.04 1.12 119.26 122.71 1i8f h ALA 14 Ca 0.00 0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.98 1i8f h ALA 14 Cb 0.00 1.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 1i8f h ALA 14 CO 0.00 -0.35 -0.12 1.15 0.00 0.00 0.00 179.25 179.94 1i8f h THR 15 N -0.00 0.70 -0.72 0.00 2.02 -2.04 -1.42 112.91 111.44 1i8f h THR 15 Ca 0.06 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.28 1i8f h THR 15 Cb 0.15 0.70 -0.05 0.00 -1.74 0.00 0.00 68.15 67.21 1i8f h THR 15 CO -0.34 0.00 0.45 -0.07 0.37 0.00 0.00 175.52 175.93 1i8f h LEU 16 N -0.18 0.72 -0.31 2.58 3.38 -1.79 -0.62 115.31 119.10 1i8f h LEU 16 Ca 0.06 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.07 1i8f h LEU 16 Cb 0.25 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 1i8f h LEU 16 CO -0.15 0.49 0.08 -0.61 0.09 0.00 0.00 178.44 178.34 1i8f h GLN 17 N 0.86 0.19 0.00 1.13 5.75 0.17 -0.11 115.11 123.09 1i8f h GLN 17 Ca 0.30 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.79 1i8f h GLN 17 Cb 0.06 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 28.57 1i8f h GLN 17 CO -0.13 0.12 0.00 -0.44 -2.65 0.00 0.00 178.83 175.74 1i8f h ASP 18 N 0.19 0.00 -0.12 -0.69 5.19 -0.25 -2.55 116.42 118.20 1i8f h ASP 18 Ca 0.14 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.55 1i8f h ASP 18 Cb 0.14 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.65 1i8f h ASP 18 CO -0.17 0.00 0.00 -1.20 -3.12 0.00 0.00 179.24 174.75 1i8f n SER 19 N -3.00 2.36 -4.73 6.45 7.64 -0.08 -4.89 113.62 117.37 1i8f n SER 19 Ca -0.02 -1.79 -0.42 0.00 1.01 0.00 0.00 58.87 57.66 1i8f n SER 19 Cb 0.15 -0.07 -0.02 0.00 -1.01 0.00 0.00 64.21 63.26 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 0.82 0.52 -0.46 0.44 2.08 -0.96 -0.74 119.36 121.05 1i8f n ILE 20 Ca 0.17 -0.13 0.00 0.00 0.56 0.00 0.00 62.75 63.35 1i8f n ILE 20 Cb 0.47 -1.98 0.00 0.00 -0.75 0.00 0.00 39.64 37.38 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 3.05 1.53 3.77 7.39 0.00 0.76 -4.98 105.19 116.71 1i8f n GLY 21 Ca 0.12 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.20 2.76 0.18 1.61 1.02 0.09 -4.83 119.74 120.37 1i8f s LYS 22 Ca 0.00 -1.11 -0.29 0.00 0.02 0.00 0.00 55.97 54.59 1i8f s LYS 22 Cb 0.00 -2.48 -0.08 0.00 -0.52 0.00 0.00 37.83 34.75 1i8f s LYS 22 CO 0.00 0.41 0.91 -1.14 -0.92 0.00 0.00 175.35 174.61 1i8f s GLN 23 N -3.66 4.76 0.07 1.68 0.74 -1.26 -0.92 119.66 121.07 1i8f s GLN 23 Ca 0.32 1.41 0.05 0.00 0.05 0.00 0.00 55.36 57.19 1i8f s GLN 23 Cb -0.08 -3.31 -0.03 0.00 1.10 0.00 0.00 33.01 30.69 1i8f s GLN 23 CO 0.23 0.43 -0.13 0.14 -0.55 0.00 0.00 175.29 175.41 1i8f s VAL 24 N -0.80 1.04 -0.15 1.34 -7.23 0.86 -1.38 120.40 114.09 1i8f s VAL 24 Ca 0.42 -1.26 -0.11 0.00 -1.81 0.00 0.00 61.98 59.22 1i8f s VAL 24 Cb -0.25 -1.01 -0.05 0.00 0.56 0.00 0.00 36.38 35.64 1i8f s VAL 24 CO 0.30 -0.23 0.23 -0.22 -0.31 0.00 0.00 175.10 174.87 1i8f s LEU 25 N -1.68 4.29 -0.07 1.32 2.96 0.63 -2.08 118.68 124.05 1i8f s LEU 25 Ca -0.03 0.47 0.02 0.00 -0.22 0.00 0.00 54.13 54.37 1i8f s LEU 25 Cb -0.10 -2.25 0.02 0.00 0.50 0.00 0.00 46.19 44.36 1i8f s LEU 25 CO 0.02 0.22 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.47 1i8f s VAL 26 N -0.07 1.02 0.03 1.68 1.01 0.09 -1.13 120.40 123.04 1i8f s VAL 26 Ca 0.15 -0.39 0.07 0.00 0.00 0.00 0.00 61.98 61.80 1i8f s VAL 26 Cb -0.13 -0.96 -0.03 0.00 0.00 0.00 0.00 36.38 35.26 1i8f s VAL 26 CO 0.03 0.34 -0.18 -0.54 0.00 0.00 0.00 175.10 174.75 1i8f s LYS 27 N 0.88 2.12 0.34 2.72 1.02 -0.95 -0.87 119.74 125.00 1i8f s LYS 27 Ca -0.11 -0.95 0.07 0.00 0.02 0.00 0.00 55.97 55.00 1i8f s LYS 27 Cb -0.15 -2.20 -0.07 0.00 -0.52 0.00 0.00 37.83 34.89 1i8f s LYS 27 CO 0.01 0.55 -0.01 -0.51 -0.92 0.00 0.00 175.35 174.47 1i8f s LEU 28 N -1.33 2.58 0.79 3.17 1.43 -0.40 -0.46 118.68 124.45 1i8f s LEU 28 Ca 0.14 -1.30 -0.15 0.00 -1.03 0.00 0.00 54.13 51.79 1i8f s LEU 28 Cb -0.10 -0.72 -0.00 0.00 0.03 0.00 0.00 46.19 45.39 1i8f s LEU 28 CO 0.05 -0.42 0.61 0.54 0.23 0.00 0.00 176.35 177.35 1i8f n ARG 29 N -0.77 0.15 -2.35 1.70 5.12 -0.28 -2.86 116.66 117.38 1i8f n ARG 29 Ca -0.04 0.10 -0.11 0.00 -1.93 0.00 0.00 57.85 55.86 1i8f n ARG 29 Cb 0.65 -1.94 0.00 0.00 -1.16 0.00 0.00 32.46 30.02 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 -1.00 -3.73 -3.73 0.55 8.00 -1.26 -3.96 116.55 111.42 1i8f n ASP 30 Ca 0.10 -0.05 -0.23 0.00 0.71 0.00 0.00 54.79 55.32 1i8f n ASP 30 Cb 0.51 -2.86 0.03 0.00 -0.02 0.00 0.00 41.12 38.78 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 -0.24 -1.95 -4.80 -2.24 7.64 -1.20 -5.00 113.62 105.83 1i8f n SER 31 Ca -0.11 -0.80 -0.36 0.00 1.01 0.00 0.00 58.87 58.61 1i8f n SER 31 Cb 0.59 -4.08 -0.07 0.00 -1.01 0.00 0.00 64.21 59.64 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 -3.59 3.41 -0.11 1.43 3.76 -1.14 -4.98 115.29 114.07 1i8f s HIS 32 Ca 0.14 0.37 0.00 0.00 -0.15 0.00 0.00 55.06 55.42 1i8f s HIS 32 Cb -0.07 -1.86 0.02 0.00 1.11 0.00 0.00 32.58 31.79 1i8f s HIS 32 CO 0.81 0.62 -0.11 -2.00 -0.85 0.00 0.00 174.74 173.21 1i8f s GLU 33 N -1.11 1.79 0.04 1.40 2.12 -1.26 -1.28 118.70 120.39 1i8f s GLU 33 Ca 0.16 -0.38 0.04 0.00 0.36 0.00 0.00 54.97 55.15 1i8f s GLU 33 Cb -0.12 -1.68 -0.02 0.00 0.26 0.00 0.00 34.13 32.57 1i8f s GLU 33 CO 0.05 -0.18 -0.11 0.42 -0.54 0.00 0.00 175.26 174.90 1i8f s ILE 34 N 1.37 0.87 0.01 -3.70 1.01 -0.05 -1.02 121.20 119.69 1i8f s ILE 34 Ca -0.00 -0.96 0.05 0.00 0.00 0.00 0.00 60.65 59.74 1i8f s ILE 34 Cb -0.14 -0.82 -0.02 0.00 0.01 0.00 0.00 42.46 41.49 1i8f s ILE 34 CO -0.06 -0.11 -0.14 -0.13 0.00 0.00 0.00 174.94 174.50 1i8f s ARG 35 N -1.20 1.05 0.08 2.79 0.52 0.14 -0.73 118.95 121.60 1i8f s ARG 35 Ca -0.02 -0.63 -0.27 0.00 -0.52 0.00 0.00 55.73 54.29 1i8f s ARG 35 Cb -0.08 -1.04 0.08 0.00 0.52 0.00 0.00 34.95 34.44 1i8f s ARG 35 CO 0.01 0.27 1.04 0.20 0.02 0.00 0.00 175.30 176.85 1i8f s GLY 36 N -0.73 -0.30 -0.24 -3.53 0.00 -0.88 0.38 107.32 102.02 1i8f s GLY 36 Ca 0.04 0.41 -0.24 0.00 0.00 0.00 0.00 44.72 44.93 1i8f s GLY 36 CO 0.00 0.08 0.78 -0.42 0.00 0.00 0.00 173.10 173.55 1i8f s ILE 37 N -3.02 4.87 -0.11 0.90 -1.09 -0.04 -0.10 121.20 122.62 1i8f s ILE 37 Ca 0.12 1.47 -0.30 0.00 -2.23 0.00 0.00 60.65 59.72 1i8f s ILE 37 Cb 0.00 -4.08 -0.03 0.00 -1.58 0.00 0.00 42.46 36.78 1i8f s ILE 37 CO -0.01 -0.05 1.33 -0.22 -1.23 0.00 0.00 174.94 174.77 1i8f s LEU 38 N 2.74 4.24 -0.18 2.97 2.96 -0.09 -0.62 118.68 130.69 1i8f s LEU 38 Ca 0.33 1.86 0.03 0.00 -0.22 0.00 0.00 54.13 56.13 1i8f s LEU 38 Cb -0.15 -3.54 -0.13 0.00 0.50 0.00 0.00 46.19 42.86 1i8f s LEU 38 CO 0.08 -0.75 -0.14 0.54 -1.32 0.00 0.00 176.35 174.76 1i8f n ARG 39 N 6.26 0.62 -3.80 1.98 5.12 -0.45 -0.17 116.66 126.22 1i8f n ARG 39 Ca 0.14 0.09 -0.10 0.00 -1.93 0.00 0.00 57.85 56.05 1i8f n ARG 39 Cb 0.45 -1.37 -0.05 0.00 -1.16 0.00 0.00 32.46 30.33 1i8f n ARG 39 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1i8f s SER 40 N -5.66 -0.17 0.22 0.55 1.04 -1.16 -4.85 113.70 103.68 1i8f s SER 40 Ca -0.23 -0.59 -0.20 0.00 0.48 0.00 0.00 55.95 55.42 1i8f s SER 40 Cb 0.06 0.53 0.03 0.00 0.10 0.00 0.00 66.02 66.74 1i8f s SER 40 CO 0.45 -0.99 0.62 0.72 0.98 0.00 0.00 173.24 175.02 1i8f s PHE 41 N -3.90 -0.22 0.32 5.02 -0.71 -1.26 -1.69 117.98 115.54 1i8f s PHE 41 Ca 0.11 -0.14 0.05 0.00 -1.04 0.00 0.00 56.93 55.92 1i8f s PHE 41 Cb 0.00 0.55 -0.02 0.00 -1.21 0.00 0.00 43.02 42.35 1i8f s PHE 41 CO -0.03 -1.04 0.19 -0.40 -1.34 0.00 0.00 175.22 172.60 1i8f n ASP 42 N -0.40 0.28 0.31 1.98 5.68 -1.03 -4.98 116.55 118.38 1i8f n ASP 42 Ca -0.09 -2.88 0.19 0.00 -0.50 0.00 0.00 54.79 51.51 1i8f n ASP 42 Cb 0.62 1.17 0.98 0.00 -1.14 0.00 0.00 41.12 42.75 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 0.00 -0.30 0.11 -0.00 -2.04 -1.41 115.11 111.47 1i8f h GLN 43 Ca -0.24 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.41 1i8f h GLN 43 Cb 1.04 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.52 1i8f h GLN 43 CO 0.36 0.02 0.00 -2.39 -0.00 0.00 0.00 178.83 176.82 1i8f n HIS 44 N -3.22 0.39 -1.85 0.06 -0.00 -1.26 -4.93 115.22 104.41 1i8f n HIS 44 Ca -0.02 -0.20 -0.20 0.00 -0.00 0.00 0.00 57.72 57.30 1i8f n HIS 44 Cb 0.16 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.09 1i8f n HIS 44 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 1i8f n VAL 45 N 0.66 -0.32 -2.22 0.61 0.31 -0.53 -3.94 118.33 112.90 1i8f n VAL 45 Ca 0.16 0.00 -0.36 0.00 -0.01 0.00 0.00 64.34 64.12 1i8f n VAL 45 Cb 0.38 -2.26 -0.00 0.00 -0.91 0.00 0.00 33.84 31.05 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 -2.56 5.93 0.02 4.52 0.01 -1.26 -3.40 114.94 118.21 1i8f s ASN 46 Ca 0.00 2.30 0.02 0.00 -0.71 0.00 0.00 52.86 54.47 1i8f s ASN 46 Cb 0.00 -2.60 -0.01 0.00 0.41 0.00 0.00 41.25 39.05 1i8f s ASN 46 CO 0.00 -1.08 -0.07 -0.76 -1.51 0.00 0.00 177.10 173.68 1i8f s LEU 47 N -3.34 2.14 -0.19 0.60 1.43 -0.22 -2.46 118.68 116.63 1i8f s LEU 47 Ca 0.68 -0.34 -0.01 0.00 -1.03 0.00 0.00 54.13 53.43 1i8f s LEU 47 Cb -0.28 -0.26 0.00 0.00 0.03 0.00 0.00 46.19 45.68 1i8f s LEU 47 CO 0.33 -0.06 -0.13 -0.22 0.23 0.00 0.00 176.35 176.51 1i8f s LEU 48 N -0.87 2.53 0.12 1.79 2.96 -0.68 -0.55 118.68 123.97 1i8f s LEU 48 Ca -0.03 -0.49 0.10 0.00 -0.22 0.00 0.00 54.13 53.49 1i8f s LEU 48 Cb -0.06 -1.60 -0.04 0.00 0.50 0.00 0.00 46.19 44.98 1i8f s LEU 48 CO 0.00 0.02 -0.23 -0.76 -1.32 0.00 0.00 176.35 174.06 1i8f s LEU 49 N 1.19 2.48 0.24 -0.68 1.43 0.01 -1.34 118.68 122.01 1i8f s LEU 49 Ca 0.02 -0.65 0.11 0.00 -1.03 0.00 0.00 54.13 52.58 1i8f s LEU 49 Cb -0.14 -1.37 -0.05 0.00 0.03 0.00 0.00 46.19 44.66 1i8f s LEU 49 CO -0.05 0.18 -0.18 -1.61 0.23 0.00 0.00 176.35 174.92 1i8f s GLU 50 N -2.05 1.74 -1.48 1.70 2.02 0.21 -1.46 118.70 119.39 1i8f s GLU 50 Ca 0.16 -1.58 -0.12 0.00 0.02 0.00 0.00 54.97 53.45 1i8f s GLU 50 Cb -0.10 -1.89 0.08 0.00 0.10 0.00 0.00 34.13 32.32 1i8f s GLU 50 CO 0.08 0.37 0.78 -0.25 0.02 0.00 0.00 175.26 176.25 1i8f n ASP 51 N -0.26 -4.54 -4.80 -0.19 8.00 -0.95 -0.86 116.55 112.96 1i8f n ASP 51 Ca -0.09 -0.62 -0.34 0.00 0.71 0.00 0.00 54.79 54.46 1i8f n ASP 51 Cb 0.58 -3.67 -0.02 0.00 -0.02 0.00 0.00 41.12 37.99 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 2.82 -0.00 2.24 0.00 0.15 -4.52 121.76 119.28 1i8f s ALA 52 Ca 0.55 0.56 -0.03 0.00 0.00 0.00 0.00 51.96 53.04 1i8f s ALA 52 Cb -0.28 -3.26 -0.00 0.00 0.00 0.00 0.00 23.12 19.58 1i8f s ALA 52 CO 0.68 -0.50 0.06 -1.83 0.00 0.00 0.00 175.76 174.18 1i8f s GLU 53 N -3.48 0.29 -0.09 0.00 -1.05 0.16 0.20 118.70 114.72 1i8f s GLU 53 Ca 0.67 -0.29 -0.05 0.00 -0.15 0.00 0.00 54.97 55.15 1i8f s GLU 53 Cb -0.17 0.12 -0.04 0.00 -0.44 0.00 0.00 34.13 33.60 1i8f s GLU 53 CO 0.25 -0.06 0.11 -1.21 0.95 0.00 0.00 175.26 175.31 1i8f s GLU 54 N -0.90 3.32 -0.34 -4.83 2.02 -0.03 -0.69 118.70 117.24 1i8f s GLU 54 Ca -0.10 -0.23 -0.08 0.00 0.02 0.00 0.00 54.97 54.58 1i8f s GLU 54 Cb -0.06 -3.07 0.03 0.00 0.10 0.00 0.00 34.13 31.13 1i8f s GLU 54 CO 0.00 0.74 0.13 0.42 0.02 0.00 0.00 175.26 176.58 1i8f s ILE 55 N -1.04 4.03 -0.17 -1.63 1.09 -0.19 -0.93 121.20 122.35 1i8f s ILE 55 Ca 0.16 -0.99 0.01 0.00 -1.10 0.00 0.00 60.65 58.73 1i8f s ILE 55 Cb -0.12 -3.24 0.03 0.00 -1.06 0.00 0.00 42.46 38.07 1i8f s ILE 55 CO 0.06 -0.16 -0.14 -0.63 -0.10 0.00 0.00 174.94 173.98 1i8f s ILE 56 N 1.46 1.68 -1.55 2.92 1.01 0.39 -4.35 121.20 122.76 1i8f s ILE 56 Ca -0.00 -0.83 -0.14 0.00 0.00 0.00 0.00 60.65 59.68 1i8f s ILE 56 Cb -0.19 -1.63 0.10 0.00 0.01 0.00 0.00 42.46 40.74 1i8f s ILE 56 CO 0.04 0.36 0.92 0.47 0.00 0.00 0.00 174.94 176.73 1i8f n ASP 57 N 4.71 -4.60 0.00 3.58 8.00 -1.26 -0.69 116.55 126.29 1i8f n ASP 57 Ca -0.17 -0.78 0.00 0.00 0.71 0.00 0.00 54.79 54.55 1i8f n ASP 57 Cb 0.49 -3.69 0.00 0.00 -0.02 0.00 0.00 41.12 37.90 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 -1.62 2.28 3.88 0.44 0.00 -1.26 -5.01 105.19 103.90 1i8f n GLY 58 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.62 6.46 -0.20 1.61 0.02 0.13 -5.08 114.94 114.26 1i8f s ASN 59 Ca 0.00 0.52 -0.12 0.00 -1.02 0.00 0.00 52.86 52.23 1i8f s ASN 59 Cb 0.00 -2.08 -0.05 0.00 0.02 0.00 0.00 41.25 39.14 1i8f s ASN 59 CO 0.00 0.33 0.24 -0.69 0.02 0.00 0.00 177.10 177.00 1i8f s VAL 60 N -1.16 5.33 -0.22 1.60 1.01 -1.26 -0.47 120.40 125.23 1i8f s VAL 60 Ca 0.22 0.39 0.02 0.00 0.00 0.00 0.00 61.98 62.60 1i8f s VAL 60 Cb -0.13 -3.57 0.04 0.00 0.00 0.00 0.00 36.38 32.72 1i8f s VAL 60 CO 0.11 0.36 -0.14 -0.31 0.00 0.00 0.00 175.10 175.13 1i8f s TYR 61 N 0.77 2.85 0.18 5.22 1.51 -0.11 -4.96 117.35 122.82 1i8f s TYR 61 Ca 0.12 -1.88 -0.30 0.00 -1.01 0.00 0.00 57.07 54.00 1i8f s TYR 61 Cb -0.13 -1.84 -0.08 0.00 -0.11 0.00 0.00 41.96 39.81 1i8f s TYR 61 CO 0.03 -0.82 1.06 -1.59 -1.11 0.00 0.00 175.55 173.13 1i8f s LYS 62 N 1.25 4.65 -0.00 -0.62 0.00 -1.26 -0.85 119.74 122.90 1i8f s LYS 62 Ca -0.02 1.65 0.01 0.00 0.00 0.00 0.00 55.97 57.61 1i8f s LYS 62 Cb -0.17 -3.29 -0.01 0.00 0.00 0.00 0.00 37.83 34.36 1i8f s LYS 62 CO -0.09 0.16 0.02 0.54 0.00 0.00 0.00 175.35 175.98 1i8f n ARG 63 N 2.22 1.12 0.00 1.78 5.12 0.13 -4.95 116.66 122.09 1i8f n ARG 63 Ca 0.02 -0.01 0.00 0.00 -1.93 0.00 0.00 57.85 55.93 1i8f n ARG 63 Cb 0.47 -1.02 0.00 0.00 -1.16 0.00 0.00 32.46 30.74 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 2.59 1.03 3.73 -0.13 0.00 -0.80 -4.83 105.19 106.77 1i8f n GLY 64 Ca -0.01 -0.81 -0.41 0.00 0.00 0.00 0.00 46.02 44.79 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 4.65 -0.05 2.61 2.01 -1.26 0.33 115.64 123.92 1i8f s THR 65 Ca 0.00 1.98 -0.02 0.00 0.31 0.00 0.00 61.69 63.96 1i8f s THR 65 Cb 0.00 -4.28 0.04 0.00 0.01 0.00 0.00 72.50 68.27 1i8f s THR 65 CO 0.00 0.28 0.11 -0.32 -0.69 0.00 0.00 174.62 174.01 1i8f s MET 66 N 0.28 0.05 -0.13 4.92 1.75 -0.54 -4.96 119.30 120.67 1i8f s MET 66 Ca 0.47 0.34 -0.03 0.00 -1.25 0.00 0.00 55.69 55.22 1i8f s MET 66 Cb -0.22 -0.22 -0.03 0.00 2.84 0.00 0.00 34.83 37.20 1i8f s MET 66 CO 0.28 -0.18 -0.01 0.14 -0.65 0.00 0.00 175.02 174.59 1i8f s VAL 67 N 1.27 4.15 -0.13 10.11 -7.23 -1.26 -0.81 120.40 126.50 1i8f s VAL 67 Ca -0.08 -0.29 0.01 0.00 -1.81 0.00 0.00 61.98 59.82 1i8f s VAL 67 Cb -0.12 -2.79 -0.00 0.00 0.56 0.00 0.00 36.38 34.03 1i8f s VAL 67 CO -0.05 0.54 -0.18 -0.69 -0.31 0.00 0.00 175.10 174.41 1i8f s VAL 68 N -0.20 2.54 0.03 1.32 1.01 0.29 -4.98 120.40 120.40 1i8f s VAL 68 Ca 0.05 -0.83 -0.30 0.00 0.00 0.00 0.00 61.98 60.89 1i8f s VAL 68 Cb -0.13 -2.04 -0.05 0.00 0.00 0.00 0.00 36.38 34.17 1i8f s VAL 68 CO 0.02 0.53 1.15 -0.13 0.00 0.00 0.00 175.10 176.68 1i8f s ARG 69 N 0.53 4.45 0.50 2.72 0.52 -1.26 -1.06 118.95 125.35 1i8f s ARG 69 Ca -0.11 1.68 0.25 0.00 -0.52 0.00 0.00 55.73 57.02 1i8f s ARG 69 Cb -0.16 -3.40 1.31 0.00 0.52 0.00 0.00 34.95 33.22 1i8f s ARG 69 CO 0.04 -0.23 2.03 0.78 0.02 0.00 0.00 175.30 177.94 1i8f h GLY 70 N 6.98 0.00 0.40 -3.53 0.00 -1.67 -3.06 103.07 102.18 1i8f h GLY 70 Ca -0.40 0.00 0.21 0.00 0.00 0.00 0.00 47.33 47.14 1i8f h GLY 70 CO 0.81 0.00 0.57 1.05 0.00 0.00 0.00 176.54 178.97 1i8f h GLU 71 N 0.00 0.17 -0.28 4.80 4.11 -1.87 -1.93 114.58 119.57 1i8f h GLU 71 Ca -0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.42 1i8f h GLU 71 Cb 0.38 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1i8f h GLU 71 CO 0.02 0.11 0.00 0.09 0.07 0.00 0.00 179.01 179.30 1i8f n ASN 72 N -4.39 3.33 -4.71 3.06 4.13 -1.16 -4.96 115.26 110.57 1i8f n ASN 72 Ca 0.17 -2.00 -0.42 0.00 1.68 0.00 0.00 54.58 54.01 1i8f n ASN 72 Cb 0.78 -0.17 -0.03 0.00 -1.54 0.00 0.00 39.78 38.82 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 -1.66 4.24 -0.20 2.41 1.01 -0.73 -1.12 120.40 124.36 1i8f s VAL 73 Ca 0.36 1.61 -0.17 0.00 0.00 0.00 0.00 61.98 63.77 1i8f s VAL 73 Cb 0.22 -4.03 -0.13 0.00 0.00 0.00 0.00 36.38 32.44 1i8f s VAL 73 CO 0.31 0.12 -0.02 0.18 0.00 0.00 0.00 175.10 175.69 1i8f n LEU 74 N 3.99 1.87 -3.73 3.92 4.77 0.39 -4.92 117.00 123.28 1i8f n LEU 74 Ca 0.08 0.46 -0.10 0.00 -0.03 0.00 0.00 56.01 56.43 1i8f n LEU 74 Cb 0.47 -0.90 -0.04 0.00 -2.33 0.00 0.00 43.42 40.62 1i8f n LEU 74 CO 0.55 0.08 0.25 0.72 -1.33 0.00 0.00 177.39 177.66 1i8f s PHE 75 N -2.39 -0.11 -0.02 -1.77 -0.12 -1.16 -5.00 117.98 107.41 1i8f s PHE 75 Ca -0.27 -0.23 0.01 0.00 -0.05 0.00 0.00 56.93 56.39 1i8f s PHE 75 Cb 0.06 0.36 0.01 0.00 -0.63 0.00 0.00 43.02 42.82 1i8f s PHE 75 CO 0.46 -0.88 -0.03 0.42 -0.05 0.00 0.00 175.22 175.14 1i8f s ILE 76 N -3.87 0.31 -0.09 -4.49 1.01 -1.26 -2.23 121.20 110.58 1i8f s ILE 76 Ca 0.09 -0.06 -0.04 0.00 0.00 0.00 0.00 60.65 60.64 1i8f s ILE 76 Cb -0.00 -0.34 0.05 0.00 0.01 0.00 0.00 42.46 42.18 1i8f s ILE 76 CO -0.04 0.14 0.19 -0.94 0.00 0.00 0.00 174.94 174.30 1i8f s SER 77 N 0.55 0.29 0.25 3.58 1.04 -0.28 -4.97 113.70 114.15 1i8f s SER 77 Ca -0.06 0.41 -0.30 0.00 0.48 0.00 0.00 55.95 56.48 1i8f s SER 77 Cb -0.09 0.36 -0.10 0.00 0.10 0.00 0.00 66.02 66.29 1i8f s SER 77 CO -0.01 -0.21 1.50 -2.16 0.98 0.00 0.00 173.24 173.35 1i8f s PRO 78 N 1.87 4.22 0.01 4.02 0.04 -1.26 -0.26 135.00 143.64 1i8f s PRO 78 Ca -0.02 2.38 -0.30 0.00 0.04 0.00 0.00 61.00 63.10 1i8f s PRO 78 Cb -0.12 -3.09 -0.06 0.00 0.04 0.00 0.00 34.50 31.27 1i8f s PRO 78 CO -0.07 -0.51 1.46 0.08 0.04 0.00 0.00 177.00 178.01 1i8f s VAL 79 N 0.19 3.56 -1.17 -0.36 1.01 -0.48 -4.84 120.40 118.31 1i8f s VAL 79 Ca 0.62 0.95 0.00 0.00 0.00 0.00 0.00 61.98 63.55 1i8f s VAL 79 Cb -0.44 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.33 1i8f s VAL 79 CO 0.42 -0.00 0.29 -2.65 0.00 0.00 0.00 175.10 173.16