#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i8f n ALA 10 N 0.00 2.54 -0.02 3.13 0.00 -1.26 -0.32 120.51 124.58 1i8f n ALA 10 Ca 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 53.44 53.28 1i8f n ALA 10 Cb 0.00 -1.41 -0.01 0.00 0.00 0.00 0.00 19.45 18.04 1i8f n ALA 10 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1i8f n THR 11 N -1.55 0.53 -0.05 0.00 -2.24 -1.26 -4.76 114.28 104.95 1i8f n THR 11 Ca 0.07 0.30 -0.22 0.00 -2.27 0.00 0.00 64.05 61.93 1i8f n THR 11 Cb 0.35 -1.63 -0.13 0.00 -2.10 0.00 0.00 70.33 66.82 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 -3.12 2.34 0.06 3.22 4.77 -1.26 -4.41 117.00 118.60 1i8f n LEU 12 Ca -0.04 0.28 -0.14 0.00 -0.03 0.00 0.00 56.01 56.08 1i8f n LEU 12 Cb 0.13 -1.05 -0.08 0.00 -2.33 0.00 0.00 43.42 40.10 1i8f n LEU 12 CO 0.05 0.64 0.55 1.23 -1.33 0.00 0.00 177.39 178.53 1i8f h GLY 13 N 0.28 -0.93 0.48 -0.72 0.00 -1.89 -1.76 103.07 98.53 1i8f h GLY 13 Ca -0.42 0.58 0.05 0.00 0.00 0.00 0.00 47.33 47.55 1i8f h GLY 13 CO -0.05 -0.24 -0.04 0.00 0.00 0.00 0.00 176.54 176.21 1i8f h ALA 14 N -0.20 0.22 -0.62 3.60 0.00 -0.93 0.45 119.26 121.78 1i8f h ALA 14 Ca 0.03 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 1i8f h ALA 14 Cb 0.69 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 1i8f h ALA 14 CO -0.34 -0.44 0.14 1.15 0.00 0.00 0.00 179.25 179.76 1i8f h THR 15 N 0.04 1.26 -0.42 0.00 2.02 -1.74 0.39 112.91 114.45 1i8f h THR 15 Ca 0.14 -0.95 -0.09 0.00 0.77 0.00 0.00 66.41 66.28 1i8f h THR 15 Cb 0.20 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 1i8f h THR 15 CO -0.27 0.36 -0.09 -0.07 0.37 0.00 0.00 175.52 175.82 1i8f h LEU 16 N 0.92 0.81 -0.85 2.58 4.07 -1.08 0.13 115.31 121.90 1i8f h LEU 16 Ca 0.19 -0.36 -0.05 0.00 0.08 0.00 0.00 57.88 57.75 1i8f h LEU 16 Cb 0.38 -0.22 -0.03 0.00 1.08 0.00 0.00 40.66 41.86 1i8f h LEU 16 CO 0.01 0.98 0.30 -0.61 -1.08 0.00 0.00 178.44 178.04 1i8f h GLN 17 N 0.63 1.15 0.00 1.13 4.15 -0.58 -1.40 115.11 120.19 1i8f h GLN 17 Ca 0.11 -0.21 0.00 0.00 0.77 0.00 0.00 58.65 59.32 1i8f h GLN 17 Cb 0.62 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 28.12 1i8f h GLN 17 CO 0.04 0.93 0.00 -3.47 -1.93 0.00 0.00 178.83 174.40 1i8f n ASP 18 N -4.28 0.00 -0.68 -0.69 -0.08 0.14 -3.06 116.55 107.90 1i8f n ASP 18 Ca 0.07 0.40 0.11 0.00 -1.51 0.00 0.00 54.79 53.86 1i8f n ASP 18 Cb 0.19 -0.46 0.04 0.00 2.34 0.00 0.00 41.12 43.23 1i8f n ASP 18 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1i8f n SER 19 N -1.46 2.42 -4.68 1.67 7.64 0.39 -4.92 113.62 114.69 1i8f n SER 19 Ca 0.07 -1.71 -0.45 0.00 1.01 0.00 0.00 58.87 57.78 1i8f n SER 19 Cb 0.25 0.28 -0.03 0.00 -1.01 0.00 0.00 64.21 63.70 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 0.54 0.33 -0.03 0.44 2.08 -1.11 -1.03 119.36 120.57 1i8f n ILE 20 Ca 0.11 -0.08 0.00 0.00 0.56 0.00 0.00 62.75 63.34 1i8f n ILE 20 Cb 0.52 -1.58 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 3.02 1.58 3.77 7.39 0.00 0.28 -5.00 105.19 116.23 1i8f n GLY 21 Ca 0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.46 2.76 0.04 1.61 1.02 -0.20 -4.80 119.74 119.70 1i8f s LYS 22 Ca 0.00 -1.03 -0.31 0.00 0.02 0.00 0.00 55.97 54.65 1i8f s LYS 22 Cb 0.00 -2.51 -0.06 0.00 -0.52 0.00 0.00 37.83 34.73 1i8f s LYS 22 CO 0.00 0.44 1.40 -1.14 -0.92 0.00 0.00 175.35 175.13 1i8f s GLN 23 N -3.39 4.30 0.12 1.68 2.00 -1.26 -1.17 119.66 121.95 1i8f s GLN 23 Ca 0.31 2.00 0.10 0.00 -2.00 0.00 0.00 55.36 55.77 1i8f s GLN 23 Cb -0.09 -3.47 -0.04 0.00 0.80 0.00 0.00 33.01 30.21 1i8f s GLN 23 CO 0.23 -0.53 -0.24 0.14 -0.50 0.00 0.00 175.29 174.39 1i8f s VAL 24 N 1.97 2.00 -0.18 1.34 -7.23 0.30 -0.98 120.40 117.62 1i8f s VAL 24 Ca 0.64 -1.69 -0.08 0.00 -1.81 0.00 0.00 61.98 59.04 1i8f s VAL 24 Cb -0.33 -1.80 -0.04 0.00 0.56 0.00 0.00 36.38 34.76 1i8f s VAL 24 CO 0.28 -0.01 0.10 -0.22 -0.31 0.00 0.00 175.10 174.94 1i8f s LEU 25 N -2.06 4.09 -0.07 1.32 2.96 0.40 -1.86 118.68 123.45 1i8f s LEU 25 Ca 0.11 0.22 0.01 0.00 -0.22 0.00 0.00 54.13 54.25 1i8f s LEU 25 Cb -0.10 -2.04 0.02 0.00 0.50 0.00 0.00 46.19 44.58 1i8f s LEU 25 CO 0.05 0.22 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.53 1i8f s VAL 26 N 0.09 0.94 -0.01 1.68 1.01 0.52 -0.14 120.40 124.50 1i8f s VAL 26 Ca 0.08 -0.33 0.05 0.00 0.00 0.00 0.00 61.98 61.78 1i8f s VAL 26 Cb -0.12 -0.91 -0.03 0.00 0.00 0.00 0.00 36.38 35.32 1i8f s VAL 26 CO -0.00 0.33 -0.15 -0.54 0.00 0.00 0.00 175.10 174.74 1i8f s LYS 27 N 1.04 2.35 0.38 2.72 1.02 -1.03 -1.05 119.74 125.17 1i8f s LYS 27 Ca -0.08 -0.81 0.06 0.00 0.02 0.00 0.00 55.97 55.16 1i8f s LYS 27 Cb -0.14 -2.32 -0.07 0.00 -0.52 0.00 0.00 37.83 34.77 1i8f s LYS 27 CO -0.01 0.59 0.03 -0.51 -0.92 0.00 0.00 175.35 174.53 1i8f s LEU 28 N -1.10 2.62 0.92 3.17 1.43 -0.30 -0.51 118.68 124.91 1i8f s LEU 28 Ca 0.14 -1.38 -0.11 0.00 -1.03 0.00 0.00 54.13 51.74 1i8f s LEU 28 Cb -0.11 -0.71 0.11 0.00 0.03 0.00 0.00 46.19 45.51 1i8f s LEU 28 CO 0.03 -0.52 0.92 0.54 0.23 0.00 0.00 176.35 177.56 1i8f n ARG 29 N -0.88 -0.37 -2.15 1.70 5.12 -0.47 -3.18 116.66 116.43 1i8f n ARG 29 Ca -0.04 -0.05 -0.15 0.00 -1.93 0.00 0.00 57.85 55.68 1i8f n ARG 29 Cb 0.67 -2.22 -0.02 0.00 -1.16 0.00 0.00 32.46 29.74 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 -3.26 -4.65 -1.47 0.55 8.00 -1.26 -3.74 116.55 110.72 1i8f n ASP 30 Ca 0.10 0.05 -0.14 0.00 0.71 0.00 0.00 54.79 55.51 1i8f n ASP 30 Cb 0.52 -3.74 -0.02 0.00 -0.02 0.00 0.00 41.12 37.86 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 -0.86 -4.46 -4.81 -2.24 7.64 -1.20 -5.00 113.62 102.69 1i8f n SER 31 Ca -0.18 0.09 -0.38 0.00 1.01 0.00 0.00 58.87 59.41 1i8f n SER 31 Cb 0.62 -3.50 -0.06 0.00 -1.01 0.00 0.00 64.21 60.26 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 -2.66 3.80 -0.08 1.43 3.76 -1.19 -4.95 115.29 115.40 1i8f s HIS 32 Ca 0.00 1.29 0.01 0.00 -0.15 0.00 0.00 55.06 56.21 1i8f s HIS 32 Cb 0.00 -2.51 0.02 0.00 1.11 0.00 0.00 32.58 31.20 1i8f s HIS 32 CO 0.00 0.58 -0.11 -2.00 -0.85 0.00 0.00 174.74 172.35 1i8f s GLU 33 N -1.15 1.72 0.02 1.40 2.12 -1.26 -1.15 118.70 120.40 1i8f s GLU 33 Ca 0.30 -0.39 0.03 0.00 0.36 0.00 0.00 54.97 55.26 1i8f s GLU 33 Cb -0.19 -1.52 -0.02 0.00 0.26 0.00 0.00 34.13 32.66 1i8f s GLU 33 CO 0.19 -0.07 -0.08 0.42 -0.54 0.00 0.00 175.26 175.18 1i8f s ILE 34 N 1.00 0.62 0.02 -3.70 1.01 -0.21 -1.05 121.20 118.89 1i8f s ILE 34 Ca -0.08 -0.75 0.04 0.00 0.00 0.00 0.00 60.65 59.86 1i8f s ILE 34 Cb -0.15 -0.60 -0.02 0.00 0.01 0.00 0.00 42.46 41.70 1i8f s ILE 34 CO -0.00 -0.12 -0.13 -0.13 0.00 0.00 0.00 174.94 174.56 1i8f s ARG 35 N -0.96 0.91 0.02 2.79 0.52 -0.30 -0.35 118.95 121.58 1i8f s ARG 35 Ca -0.03 -0.65 -0.29 0.00 -0.52 0.00 0.00 55.73 54.23 1i8f s ARG 35 Cb -0.07 -0.90 0.10 0.00 0.52 0.00 0.00 34.95 34.61 1i8f s ARG 35 CO 0.00 0.23 1.17 0.20 0.02 0.00 0.00 175.30 176.92 1i8f s GLY 36 N -0.90 -0.35 -0.17 -3.53 0.00 -0.77 -0.68 107.32 100.91 1i8f s GLY 36 Ca 0.02 0.63 -0.23 0.00 0.00 0.00 0.00 44.72 45.14 1i8f s GLY 36 CO 0.01 0.14 0.72 -0.42 0.00 0.00 0.00 173.10 173.54 1i8f s ILE 37 N -2.71 4.96 -0.40 0.90 -1.09 0.07 -0.54 121.20 122.39 1i8f s ILE 37 Ca 0.13 1.40 -0.29 0.00 -2.23 0.00 0.00 60.65 59.66 1i8f s ILE 37 Cb 0.02 -4.03 0.00 0.00 -1.58 0.00 0.00 42.46 36.87 1i8f s ILE 37 CO -0.02 0.09 1.53 -0.22 -1.23 0.00 0.00 174.94 175.08 1i8f s LEU 38 N 1.92 3.55 -0.18 2.97 2.96 -0.31 -1.33 118.68 128.26 1i8f s LEU 38 Ca 0.33 0.93 0.06 0.00 -0.22 0.00 0.00 54.13 55.23 1i8f s LEU 38 Cb -0.16 -3.50 -0.22 0.00 0.50 0.00 0.00 46.19 42.81 1i8f s LEU 38 CO 0.12 -1.54 0.13 0.54 -1.32 0.00 0.00 176.35 174.27 1i8f n ARG 39 N 8.23 0.68 -3.76 1.98 3.00 0.16 -0.55 116.66 126.40 1i8f n ARG 39 Ca 0.18 0.16 -0.09 0.00 -0.01 0.00 0.00 57.85 58.09 1i8f n ARG 39 Cb 0.48 -1.61 -0.03 0.00 0.00 0.00 0.00 32.46 31.30 1i8f n ARG 39 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 1i8f s SER 40 N -6.29 -0.31 0.16 0.55 0.01 -1.19 -4.83 113.70 101.80 1i8f s SER 40 Ca -0.21 -0.49 -0.17 0.00 1.31 0.00 0.00 55.95 56.39 1i8f s SER 40 Cb 0.08 0.66 0.04 0.00 0.21 0.00 0.00 66.02 67.00 1i8f s SER 40 CO 0.74 -1.20 0.48 0.72 0.41 0.00 0.00 173.24 174.38 1i8f s PHE 41 N -3.89 -0.19 0.01 2.43 -0.12 -1.26 -1.10 117.98 113.87 1i8f s PHE 41 Ca 0.10 -0.12 0.00 0.00 -0.05 0.00 0.00 56.93 56.85 1i8f s PHE 41 Cb -0.04 0.35 -0.00 0.00 -0.63 0.00 0.00 43.02 42.70 1i8f s PHE 41 CO 0.01 -0.81 0.00 -0.40 -0.05 0.00 0.00 175.22 173.97 1i8f n ASP 42 N -0.29 1.38 -0.30 1.98 3.85 -0.85 -4.98 116.55 117.33 1i8f n ASP 42 Ca -0.13 -1.05 0.10 0.00 -0.71 0.00 0.00 54.79 53.00 1i8f n ASP 42 Cb 0.63 0.02 0.33 0.00 -1.35 0.00 0.00 41.12 40.75 1i8f n ASP 42 CO 0.00 0.00 0.00 0.06 -1.01 0.00 0.00 177.20 176.25 1i8f h GLN 43 N 0.00 0.77 -0.65 0.11 -0.00 -2.03 -2.18 115.11 111.12 1i8f h GLN 43 Ca -0.01 -0.05 0.00 0.00 -0.00 0.00 0.00 58.65 58.60 1i8f h GLN 43 Cb 0.03 -0.17 0.00 0.00 -0.00 0.00 0.00 27.48 27.33 1i8f h GLN 43 CO 0.01 0.51 0.00 -2.39 -0.00 0.00 0.00 178.83 176.96 1i8f n HIS 44 N -4.58 1.63 -1.65 0.06 1.44 -1.26 -4.91 115.22 105.95 1i8f n HIS 44 Ca 0.18 -0.58 -0.11 0.00 -2.01 0.00 0.00 57.72 55.19 1i8f n HIS 44 Cb 0.43 -0.39 -0.03 0.00 0.12 0.00 0.00 29.99 30.11 1i8f n HIS 44 CO 0.00 0.00 0.00 0.28 -2.81 0.00 0.00 176.34 173.81 1i8f n VAL 45 N 0.62 -0.19 -2.53 0.61 0.31 -0.82 -4.16 118.33 112.16 1i8f n VAL 45 Ca 0.23 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 64.15 1i8f n VAL 45 Cb 0.98 -1.51 -0.04 0.00 -0.91 0.00 0.00 33.84 32.36 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 -2.74 7.32 0.15 4.52 0.01 -1.26 -3.22 114.94 119.71 1i8f s ASN 46 Ca 0.00 2.14 0.10 0.00 -0.71 0.00 0.00 52.86 54.38 1i8f s ASN 46 Cb 0.00 -2.61 -0.04 0.00 0.41 0.00 0.00 41.25 39.01 1i8f s ASN 46 CO 0.00 -0.14 -0.19 -0.76 -1.51 0.00 0.00 177.10 174.49 1i8f s LEU 47 N -0.86 2.63 -0.21 0.60 1.43 0.22 -2.01 118.68 120.48 1i8f s LEU 47 Ca 0.46 -0.66 -0.01 0.00 -1.03 0.00 0.00 54.13 52.90 1i8f s LEU 47 Cb -0.30 -1.43 0.02 0.00 0.03 0.00 0.00 46.19 44.51 1i8f s LEU 47 CO 0.37 0.15 -0.12 -0.22 0.23 0.00 0.00 176.35 176.76 1i8f s LEU 48 N -2.36 2.66 0.01 1.79 2.96 -0.25 -0.86 118.68 122.62 1i8f s LEU 48 Ca 0.19 -0.70 0.05 0.00 -0.22 0.00 0.00 54.13 53.46 1i8f s LEU 48 Cb -0.10 -1.59 -0.03 0.00 0.50 0.00 0.00 46.19 44.97 1i8f s LEU 48 CO 0.10 -0.05 -0.15 -0.76 -1.32 0.00 0.00 176.35 174.17 1i8f s LEU 49 N 1.33 2.72 0.18 -0.68 1.43 -0.44 -0.66 118.68 122.56 1i8f s LEU 49 Ca 0.03 -0.31 0.10 0.00 -1.03 0.00 0.00 54.13 52.92 1i8f s LEU 49 Cb -0.15 -1.57 -0.04 0.00 0.03 0.00 0.00 46.19 44.46 1i8f s LEU 49 CO -0.08 0.29 -0.17 -1.83 0.23 0.00 0.00 176.35 174.79 1i8f s GLU 50 N -1.19 1.79 -1.45 1.70 -1.05 -0.44 -0.56 118.70 117.50 1i8f s GLU 50 Ca 0.14 -1.36 -0.07 0.00 -0.15 0.00 0.00 54.97 53.53 1i8f s GLU 50 Cb -0.11 -2.02 0.04 0.00 -0.44 0.00 0.00 34.13 31.60 1i8f s GLU 50 CO 0.04 0.43 0.62 -0.25 0.95 0.00 0.00 175.26 177.04 1i8f n ASP 51 N 0.25 -5.17 -4.81 0.83 8.00 -1.03 -0.76 116.55 113.85 1i8f n ASP 51 Ca -0.12 -0.37 -0.31 0.00 0.71 0.00 0.00 54.79 54.70 1i8f n ASP 51 Cb 0.55 -4.20 0.04 0.00 -0.02 0.00 0.00 41.12 37.50 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 -3.10 2.66 -0.06 2.24 0.00 0.24 -4.58 121.76 119.16 1i8f s ALA 52 Ca 0.38 0.18 -0.16 0.00 0.00 0.00 0.00 51.96 52.35 1i8f s ALA 52 Cb -0.18 -3.20 0.03 0.00 0.00 0.00 0.00 23.12 19.77 1i8f s ALA 52 CO 0.46 -1.16 0.38 -1.83 0.00 0.00 0.00 175.76 173.61 1i8f s GLU 53 N -4.78 0.65 -0.11 0.00 -1.05 0.15 -0.26 118.70 113.29 1i8f s GLU 53 Ca 0.60 0.10 -0.06 0.00 -0.15 0.00 0.00 54.97 55.46 1i8f s GLU 53 Cb -0.15 0.30 -0.04 0.00 -0.44 0.00 0.00 34.13 33.80 1i8f s GLU 53 CO 0.50 -0.16 0.10 -1.21 0.95 0.00 0.00 175.26 175.44 1i8f s GLU 54 N -0.82 3.33 -0.32 -4.83 2.02 -0.27 -1.15 118.70 116.66 1i8f s GLU 54 Ca -0.09 -0.21 -0.09 0.00 0.02 0.00 0.00 54.97 54.60 1i8f s GLU 54 Cb -0.04 -3.08 0.00 0.00 0.10 0.00 0.00 34.13 31.11 1i8f s GLU 54 CO 0.04 0.74 0.14 0.42 0.02 0.00 0.00 175.26 176.62 1i8f s ILE 55 N -0.95 4.42 -0.08 -1.63 1.09 -0.21 -0.28 121.20 123.56 1i8f s ILE 55 Ca 0.14 -0.56 0.01 0.00 -1.10 0.00 0.00 60.65 59.14 1i8f s ILE 55 Cb -0.12 -3.29 0.02 0.00 -1.06 0.00 0.00 42.46 38.01 1i8f s ILE 55 CO 0.03 0.03 -0.07 -0.63 -0.10 0.00 0.00 174.94 174.20 1i8f s ILE 56 N 1.57 0.86 -1.51 2.92 1.01 0.22 -4.31 121.20 121.96 1i8f s ILE 56 Ca 0.04 -0.26 -0.07 0.00 0.00 0.00 0.00 60.65 60.36 1i8f s ILE 56 Cb -0.17 -0.86 0.06 0.00 0.01 0.00 0.00 42.46 41.49 1i8f s ILE 56 CO 0.05 0.32 0.56 0.47 0.00 0.00 0.00 174.94 176.34 1i8f n ASP 57 N 4.39 -1.51 0.00 3.58 8.00 -1.26 -0.37 116.55 129.38 1i8f n ASP 57 Ca -0.18 -1.00 0.00 0.00 0.71 0.00 0.00 54.79 54.32 1i8f n ASP 57 Cb 0.51 -2.97 0.00 0.00 -0.02 0.00 0.00 41.12 38.64 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 -1.80 0.55 3.64 0.44 0.00 -1.26 -5.01 105.19 101.76 1i8f n GLY 58 Ca -0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.46 4.79 -0.25 1.61 -0.87 0.50 -5.11 114.94 113.16 1i8f s ASN 59 Ca 0.00 -0.22 -0.11 0.00 -1.57 0.00 0.00 52.86 50.96 1i8f s ASN 59 Cb 0.00 -1.09 -0.05 0.00 -0.02 0.00 0.00 41.25 40.10 1i8f s ASN 59 CO 0.00 0.20 0.20 -0.69 -2.57 0.00 0.00 177.10 174.24 1i8f s VAL 60 N -1.22 5.32 -0.32 1.60 1.01 -1.26 -0.61 120.40 124.92 1i8f s VAL 60 Ca 0.23 0.24 -0.03 0.00 0.00 0.00 0.00 61.98 62.42 1i8f s VAL 60 Cb -0.11 -3.54 0.05 0.00 0.00 0.00 0.00 36.38 32.78 1i8f s VAL 60 CO 0.15 0.30 0.04 -0.31 0.00 0.00 0.00 175.10 175.28 1i8f s TYR 61 N 1.34 3.28 0.15 5.22 1.51 0.61 -4.95 117.35 124.51 1i8f s TYR 61 Ca 0.09 -1.76 -0.30 0.00 -1.01 0.00 0.00 57.07 54.09 1i8f s TYR 61 Cb -0.14 -2.22 -0.08 0.00 -0.11 0.00 0.00 41.96 39.41 1i8f s TYR 61 CO 0.07 -0.79 1.25 0.15 -1.11 0.00 0.00 175.55 175.12 1i8f s LYS 62 N 1.30 4.43 0.00 -0.62 -0.14 -1.26 -1.12 119.74 122.33 1i8f s LYS 62 Ca -0.03 1.92 0.00 0.00 -1.36 0.00 0.00 55.97 56.49 1i8f s LYS 62 Cb -0.20 -3.25 0.00 0.00 -1.68 0.00 0.00 37.83 32.70 1i8f s LYS 62 CO 0.00 -0.20 0.00 0.54 -0.76 0.00 0.00 175.35 174.93 1i8f n ARG 63 N 3.00 0.11 0.00 1.68 5.12 0.64 -4.94 116.66 122.27 1i8f n ARG 63 Ca 0.07 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.99 1i8f n ARG 63 Cb 0.44 -0.99 0.00 0.00 -1.16 0.00 0.00 32.46 30.75 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 2.47 0.87 3.71 -0.13 0.00 -0.79 -4.85 105.19 106.46 1i8f n GLY 64 Ca 0.00 -0.86 -0.42 0.00 0.00 0.00 0.00 46.02 44.75 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 4.88 -0.03 2.61 2.01 -1.26 0.83 115.64 124.68 1i8f s THR 65 Ca 0.00 2.01 0.01 0.00 0.31 0.00 0.00 61.69 64.01 1i8f s THR 65 Cb 0.00 -4.30 0.02 0.00 0.01 0.00 0.00 72.50 68.24 1i8f s THR 65 CO 0.00 0.15 -0.02 -0.32 -0.69 0.00 0.00 174.62 173.74 1i8f s MET 66 N 1.08 0.50 -0.19 4.92 1.75 0.27 -4.97 119.30 122.67 1i8f s MET 66 Ca 0.50 -0.03 -0.10 0.00 -1.25 0.00 0.00 55.69 54.81 1i8f s MET 66 Cb -0.20 -0.59 -0.05 0.00 2.84 0.00 0.00 34.83 36.83 1i8f s MET 66 CO 0.26 -0.08 0.16 0.08 -0.65 0.00 0.00 175.02 174.79 1i8f s VAL 67 N 0.79 5.40 -0.11 10.11 1.01 -1.26 -1.32 120.40 135.01 1i8f s VAL 67 Ca -0.09 0.25 0.03 0.00 0.00 0.00 0.00 61.98 62.17 1i8f s VAL 67 Cb -0.12 -3.49 0.01 0.00 0.00 0.00 0.00 36.38 32.77 1i8f s VAL 67 CO -0.01 0.44 -0.22 -0.69 0.00 0.00 0.00 175.10 174.63 1i8f s VAL 68 N 0.30 1.95 0.04 2.92 1.01 -0.04 -4.97 120.40 121.62 1i8f s VAL 68 Ca 0.10 -0.94 -0.30 0.00 0.00 0.00 0.00 61.98 60.84 1i8f s VAL 68 Cb -0.11 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.51 1i8f s VAL 68 CO -0.01 0.53 1.04 -0.13 0.00 0.00 0.00 175.10 176.54 1i8f s ARG 69 N 0.59 4.54 0.48 2.72 0.52 -1.26 -0.61 118.95 125.92 1i8f s ARG 69 Ca -0.13 1.53 0.18 0.00 -0.52 0.00 0.00 55.73 56.79 1i8f s ARG 69 Cb -0.17 -3.41 1.17 0.00 0.52 0.00 0.00 34.95 33.06 1i8f s ARG 69 CO 0.04 -0.07 2.04 0.78 0.02 0.00 0.00 175.30 178.10 1i8f h GLY 70 N 6.60 0.00 1.11 -3.53 0.00 -1.71 -2.89 103.07 102.65 1i8f h GLY 70 Ca -0.42 0.00 0.10 0.00 0.00 0.00 0.00 47.33 47.01 1i8f h GLY 70 CO 0.76 0.00 0.36 -2.09 0.00 0.00 0.00 176.54 175.58 1i8f h GLU 71 N 0.00 0.30 -0.49 4.80 4.57 -1.87 -0.63 114.58 121.26 1i8f h GLU 71 Ca -0.00 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1i8f h GLU 71 Cb 0.28 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.80 1i8f h GLU 71 CO 0.02 0.20 0.00 0.09 -1.18 0.00 0.00 179.01 178.14 1i8f n ASN 72 N -4.46 3.41 -4.74 1.04 3.02 -1.09 -4.97 115.26 107.47 1i8f n ASN 72 Ca 0.09 -1.96 -0.41 0.00 -0.03 0.00 0.00 54.58 52.26 1i8f n ASN 72 Cb 0.38 -0.33 -0.04 0.00 -0.61 0.00 0.00 39.78 39.19 1i8f n ASN 72 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1i8f s VAL 73 N -1.10 3.69 -0.23 2.41 1.01 -0.25 -1.37 120.40 124.56 1i8f s VAL 73 Ca 0.36 1.45 -0.18 0.00 0.00 0.00 0.00 61.98 63.61 1i8f s VAL 73 Cb 0.20 -3.92 -0.17 0.00 0.00 0.00 0.00 36.38 32.49 1i8f s VAL 73 CO 0.26 0.24 0.00 0.18 0.00 0.00 0.00 175.10 175.79 1i8f n LEU 74 N 2.38 1.92 -3.61 3.92 4.77 0.33 -4.91 117.00 121.81 1i8f n LEU 74 Ca 0.03 0.38 -0.10 0.00 -0.03 0.00 0.00 56.01 56.29 1i8f n LEU 74 Cb 0.45 -0.92 -0.03 0.00 -2.33 0.00 0.00 43.42 40.60 1i8f n LEU 74 CO 0.55 0.41 0.36 0.72 -1.33 0.00 0.00 177.39 178.09 1i8f s PHE 75 N -2.42 -0.33 -0.07 -1.77 -0.12 -1.20 -5.01 117.98 107.06 1i8f s PHE 75 Ca -0.32 0.02 0.01 0.00 -0.05 0.00 0.00 56.93 56.59 1i8f s PHE 75 Cb 0.09 0.51 0.02 0.00 -0.63 0.00 0.00 43.02 43.02 1i8f s PHE 75 CO 0.56 -0.93 -0.07 0.42 -0.05 0.00 0.00 175.22 175.15 1i8f s ILE 76 N -3.82 0.80 -0.14 -4.49 1.01 -1.26 -2.46 121.20 110.84 1i8f s ILE 76 Ca 0.05 -0.23 -0.02 0.00 0.00 0.00 0.00 60.65 60.45 1i8f s ILE 76 Cb -0.02 -0.80 0.04 0.00 0.01 0.00 0.00 42.46 41.70 1i8f s ILE 76 CO -0.06 0.30 0.02 -0.55 0.00 0.00 0.00 174.94 174.64 1i8f s SER 77 N 1.13 2.32 0.31 3.58 0.15 0.81 -4.95 113.70 117.04 1i8f s SER 77 Ca -0.07 -0.49 -0.30 0.00 0.70 0.00 0.00 55.95 55.80 1i8f s SER 77 Cb -0.14 -0.54 -0.11 0.00 -1.71 0.00 0.00 66.02 63.51 1i8f s SER 77 CO -0.01 -0.25 1.58 -2.16 1.20 0.00 0.00 173.24 173.60 1i8f s PRO 78 N 1.90 4.12 0.00 5.44 0.04 -1.26 -0.46 135.00 144.78 1i8f s PRO 78 Ca 0.02 2.58 -0.30 0.00 0.04 0.00 0.00 61.00 63.34 1i8f s PRO 78 Cb -0.15 -3.01 -0.05 0.00 0.04 0.00 0.00 34.50 31.33 1i8f s PRO 78 CO -0.07 -0.62 1.33 0.08 0.04 0.00 0.00 177.00 177.76 1i8f s VAL 79 N -0.19 3.83 -2.00 -0.36 1.01 -0.15 -4.85 120.40 117.69 1i8f s VAL 79 Ca 0.62 1.23 0.31 0.00 0.00 0.00 0.00 61.98 64.13 1i8f s VAL 79 Cb -0.48 -3.79 0.89 0.00 0.00 0.00 0.00 36.38 33.00 1i8f s VAL 79 CO 0.51 0.02 2.19 -0.81 0.00 0.00 0.00 175.10 177.00