#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yt8 s SER 2 N 0.00 3.47 -1.72 1.61 1.04 -1.26 -4.71 113.70 112.13 2yt8 s SER 2 Ca 0.00 -0.50 -0.15 0.00 0.48 0.00 0.00 55.95 55.78 2yt8 s SER 2 Cb 0.00 -1.51 0.15 0.00 0.10 0.00 0.00 66.02 64.75 2yt8 s SER 2 CO 0.00 0.11 0.37 -1.20 0.98 0.00 0.00 173.24 173.50 2yt8 n SER 3 N 3.89 -0.77 0.00 7.02 7.64 -1.26 -4.57 113.62 125.57 2yt8 n SER 3 Ca -0.19 -1.23 0.00 0.00 1.01 0.00 0.00 58.87 58.46 2yt8 n SER 3 Cb 0.52 -1.55 0.00 0.00 -1.01 0.00 0.00 64.21 62.17 2yt8 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yt8 n GLY 4 N -1.60 0.25 3.61 0.23 0.00 -1.26 -5.16 105.19 101.26 2yt8 n GLY 4 Ca -0.05 0.52 -0.07 0.00 0.00 0.00 0.00 46.02 46.42 2yt8 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yt8 s SER 5 N 2.00 -0.24 -1.15 1.61 1.04 -1.26 -4.96 113.70 110.74 2yt8 s SER 5 Ca 0.00 0.31 -0.15 0.00 0.48 0.00 0.00 55.95 56.59 2yt8 s SER 5 Cb 0.00 0.26 0.15 0.00 0.10 0.00 0.00 66.02 66.52 2yt8 s SER 5 CO 0.00 -0.19 0.36 -1.54 0.98 0.00 0.00 173.24 172.85 2yt8 n SER 6 N 0.89 -1.30 0.35 7.02 3.41 -1.26 -4.78 113.62 117.95 2yt8 n SER 6 Ca -0.07 -0.66 -0.19 0.00 -0.26 0.00 0.00 58.87 57.69 2yt8 n SER 6 Cb 0.58 -1.16 -0.10 0.00 -0.26 0.00 0.00 64.21 63.27 2yt8 n SER 6 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2yt8 h GLY 7 N -0.53 -1.28 -5.37 5.00 0.00 -1.92 -3.42 103.07 95.55 2yt8 h GLY 7 Ca -0.36 0.56 -0.65 0.00 0.00 0.00 0.00 47.33 46.88 2yt8 h GLY 7 CO 0.55 -0.40 -0.38 0.14 0.00 0.00 0.00 176.54 176.44 2yt8 s VAL 8 N -5.91 5.34 -0.18 4.60 1.01 -1.26 -4.97 120.40 119.03 2yt8 s VAL 8 Ca -0.18 0.40 -0.10 0.00 0.00 0.00 0.00 61.98 62.10 2yt8 s VAL 8 Cb 0.04 -3.52 -0.05 0.00 0.00 0.00 0.00 36.38 32.86 2yt8 s VAL 8 CO 0.61 0.58 0.15 -0.89 0.00 0.00 0.00 175.10 175.54 2yt8 s THR 9 N -1.08 5.42 -0.05 3.92 2.01 -1.13 -4.79 115.64 119.95 2yt8 s THR 9 Ca 0.19 0.23 0.05 0.00 0.31 0.00 0.00 61.69 62.47 2yt8 s THR 9 Cb -0.14 -3.47 -0.02 0.00 0.01 0.00 0.00 72.50 68.88 2yt8 s THR 9 CO 0.08 0.48 -0.19 -0.89 -0.69 0.00 0.00 174.62 173.41 2yt8 s THR 10 N 0.04 2.68 0.05 -0.82 2.01 -1.26 -0.72 115.64 117.62 2yt8 s THR 10 Ca 0.10 -0.86 0.06 0.00 0.31 0.00 0.00 61.69 61.30 2yt8 s THR 10 Cb -0.11 -2.02 -0.02 0.00 0.01 0.00 0.00 72.50 70.35 2yt8 s THR 10 CO -0.00 0.58 -0.17 0.00 -0.69 0.00 0.00 174.62 174.34 2yt8 s ALA 11 N -0.59 1.46 -0.10 7.40 0.00 0.74 -4.96 121.76 125.71 2yt8 s ALA 11 Ca 0.09 -0.97 0.03 0.00 0.00 0.00 0.00 51.96 51.11 2yt8 s ALA 11 Cb -0.11 -0.24 0.01 0.00 0.00 0.00 0.00 23.12 22.77 2yt8 s ALA 11 CO 0.01 0.30 -0.20 0.42 0.00 0.00 0.00 175.76 176.29 2yt8 s ILE 12 N -0.89 1.76 0.26 0.00 -1.09 -1.25 -0.83 121.20 119.16 2yt8 s ILE 12 Ca 0.04 -0.83 0.09 0.00 -2.23 0.00 0.00 60.65 57.72 2yt8 s ILE 12 Cb -0.09 -1.55 -0.04 0.00 -1.58 0.00 0.00 42.46 39.20 2yt8 s ILE 12 CO 0.02 0.49 0.02 -0.63 -1.23 0.00 0.00 174.94 173.61 2yt8 s ILE 13 N 0.60 3.57 -0.35 2.92 -1.09 -0.67 -3.94 121.20 122.23 2yt8 s ILE 13 Ca -0.14 -1.83 0.00 0.00 -2.23 0.00 0.00 60.65 56.45 2yt8 s ILE 13 Cb -0.17 -2.91 0.09 0.00 -1.58 0.00 0.00 42.46 37.90 2yt8 s ILE 13 CO 0.04 -0.36 0.09 -1.00 -1.23 0.00 0.00 174.94 172.48 2yt8 s HIS 14 N -2.27 3.57 -0.71 3.97 3.76 -1.26 -2.03 115.29 120.33 2yt8 s HIS 14 Ca 0.31 -2.52 -0.02 0.00 -0.15 0.00 0.00 55.06 52.68 2yt8 s HIS 14 Cb -0.07 -2.82 0.18 0.00 1.11 0.00 0.00 32.58 30.98 2yt8 s HIS 14 CO 0.20 -0.93 0.54 1.03 -0.85 0.00 0.00 174.74 174.74 2yt8 s ARG 15 N 1.07 2.75 0.32 1.40 0.52 -0.46 -4.91 118.95 119.65 2yt8 s ARG 15 Ca 0.05 -2.84 0.11 0.00 -0.52 0.00 0.00 55.73 52.54 2yt8 s ARG 15 Cb -0.21 -3.76 0.54 0.00 0.52 0.00 0.00 34.95 32.04 2yt8 s ARG 15 CO -0.05 -1.21 1.72 -1.00 0.02 0.00 0.00 175.30 174.78 2yt8 h PRO 16 N 6.55 0.03 -6.60 3.54 0.13 -1.94 0.93 132.00 134.64 2yt8 h PRO 16 Ca 0.05 -0.01 -0.65 0.00 -0.87 0.00 0.00 66.00 64.51 2yt8 h PRO 16 Cb 0.89 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 31.78 2yt8 h PRO 16 CO 0.75 0.50 -0.86 -1.58 -0.23 0.00 0.00 178.00 176.58 2yt8 s HIS 17 N -3.94 2.15 -0.02 1.56 2.46 -1.26 -4.77 115.29 111.46 2yt8 s HIS 17 Ca -0.02 -0.40 0.01 0.00 0.47 0.00 0.00 55.06 55.12 2yt8 s HIS 17 Cb 0.14 -1.22 -0.26 0.00 -0.13 0.00 0.00 32.58 31.11 2yt8 s HIS 17 CO 0.75 0.21 0.74 0.00 -2.47 0.00 0.00 174.74 173.97 2yt8 h ALA 18 N 4.35 0.43 -0.14 1.58 0.00 -1.92 -3.32 119.26 120.24 2yt8 h ALA 18 Ca -0.47 -1.24 -0.06 0.00 0.00 0.00 0.00 54.91 53.14 2yt8 h ALA 18 Cb 1.16 0.39 -0.03 0.00 0.00 0.00 0.00 17.79 19.30 2yt8 h ALA 18 CO 0.41 1.29 0.07 0.54 0.00 0.00 0.00 179.25 181.56 2yt8 n ARG 19 N -3.36 1.36 -5.12 0.00 5.12 -1.26 -4.79 116.66 108.61 2yt8 n ARG 19 Ca -0.18 -0.51 -0.30 0.00 -1.93 0.00 0.00 57.85 54.93 2yt8 n ARG 19 Cb 1.04 -1.34 -0.17 0.00 -1.16 0.00 0.00 32.46 30.84 2yt8 n ARG 19 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 2yt8 s GLU 20 N -0.80 2.46 1.30 5.56 0.41 -1.25 -5.13 118.70 121.25 2yt8 s GLU 20 Ca 0.09 -0.81 -0.17 0.00 -0.41 0.00 0.00 54.97 53.68 2yt8 s GLU 20 Cb 0.08 -2.02 0.33 0.00 -1.78 0.00 0.00 34.13 30.74 2yt8 s GLU 20 CO 0.02 0.28 0.97 -0.65 -0.49 0.00 0.00 175.26 175.40 2yt8 s GLN 21 N 0.05 -1.96 -0.15 1.61 -1.52 -1.26 -4.98 119.66 111.45 2yt8 s GLN 21 Ca -0.08 0.55 -0.11 0.00 -1.95 0.00 0.00 55.36 53.77 2yt8 s GLN 21 Cb -0.14 -1.45 -0.06 0.00 -0.22 0.00 0.00 33.01 31.13 2yt8 s GLN 21 CO 0.05 -4.34 -0.25 1.28 -0.25 0.00 0.00 175.29 171.77 2yt8 n LEU 22 N -5.31 1.54 0.00 2.90 4.77 -1.26 -5.00 117.00 114.64 2yt8 n LEU 22 Ca 0.06 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.30 2yt8 n LEU 22 Cb 0.57 -0.60 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 2yt8 n LEU 22 CO 0.52 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 2yt8 n GLY 23 N 1.91 3.13 3.75 -0.72 0.00 -1.26 -3.95 105.19 108.05 2yt8 n GLY 23 Ca -0.25 -0.76 -0.38 0.00 0.00 0.00 0.00 46.02 44.63 2yt8 n GLY 23 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2yt8 s PHE 24 N -0.13 3.57 -0.17 1.61 -0.71 -1.26 0.16 117.98 121.05 2yt8 s PHE 24 Ca 0.00 0.92 -0.12 0.00 -1.04 0.00 0.00 56.93 56.69 2yt8 s PHE 24 Cb 0.00 -2.48 -0.05 0.00 -1.21 0.00 0.00 43.02 39.28 2yt8 s PHE 24 CO 0.00 0.30 0.22 0.00 -1.34 0.00 0.00 175.22 174.40 2yt8 s VAL 26 N 0.32 4.20 -0.24 0.00 1.01 -1.26 -1.17 120.40 123.26 2yt8 s VAL 26 Ca 0.13 -0.28 -0.03 0.00 0.00 0.00 0.00 61.98 61.79 2yt8 s VAL 26 Cb -0.12 -2.77 0.08 0.00 0.00 0.00 0.00 36.38 33.57 2yt8 s VAL 26 CO 0.02 0.59 0.08 -1.61 0.00 0.00 0.00 175.10 174.18 2yt8 s GLU 27 N -0.71 0.42 -0.78 2.72 0.41 0.41 -4.80 118.70 116.37 2yt8 s GLU 27 Ca 0.11 -0.51 0.00 0.00 -0.41 0.00 0.00 54.97 54.16 2yt8 s GLU 27 Cb -0.12 -1.77 0.00 0.00 -1.78 0.00 0.00 34.13 30.47 2yt8 s GLU 27 CO 0.02 -0.82 0.00 -3.47 -0.49 0.00 0.00 175.26 170.50 2yt8 n ASP 28 N 5.11 -3.29 0.00 -0.19 -0.08 -1.26 -2.66 116.55 114.18 2yt8 n ASP 28 Ca -0.06 0.05 0.00 0.00 -1.51 0.00 0.00 54.79 53.27 2yt8 n ASP 28 Cb 0.45 -2.31 0.00 0.00 2.34 0.00 0.00 41.12 41.60 2yt8 n ASP 28 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2yt8 n GLY 29 N -1.26 0.61 2.80 0.27 0.00 -1.26 -4.98 105.19 101.38 2yt8 n GLY 29 Ca -0.10 -0.29 -0.21 0.00 0.00 0.00 0.00 46.02 45.42 2yt8 n GLY 29 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2yt8 s ILE 30 N -2.00 0.37 0.37 -0.61 1.01 -1.09 -1.39 121.20 117.85 2yt8 s ILE 30 Ca 0.00 0.07 -0.27 0.00 0.00 0.00 0.00 60.65 60.45 2yt8 s ILE 30 Cb 0.00 -0.49 -0.10 0.00 0.01 0.00 0.00 42.46 41.89 2yt8 s ILE 30 CO 0.00 0.23 1.32 -0.63 0.00 0.00 0.00 174.94 175.86 2yt8 s ILE 31 N 1.60 2.63 0.06 2.92 1.01 -1.15 -0.45 121.20 127.82 2yt8 s ILE 31 Ca -0.01 0.61 -0.02 0.00 0.00 0.00 0.00 60.65 61.23 2yt8 s ILE 31 Cb -0.13 -3.37 -0.01 0.00 0.01 0.00 0.00 42.46 38.96 2yt8 s ILE 31 CO -0.03 0.12 -0.04 0.00 0.00 0.00 0.00 174.94 174.99 2yt8 s SER 33 N -5.89 4.68 -0.03 0.00 1.04 -1.25 -4.54 113.70 107.70 2yt8 s SER 33 Ca -0.03 -0.52 0.01 0.00 0.48 0.00 0.00 55.95 55.89 2yt8 s SER 33 Cb 0.01 -0.94 0.01 0.00 0.10 0.00 0.00 66.02 65.20 2yt8 s SER 33 CO 0.05 0.04 -0.05 -0.22 0.98 0.00 0.00 173.24 174.03 2yt8 s LEU 34 N -3.36 1.55 0.48 2.42 0.20 -1.26 -1.14 118.68 117.57 2yt8 s LEU 34 Ca 0.30 -0.13 -0.23 0.00 0.69 0.00 0.00 54.13 54.76 2yt8 s LEU 34 Cb -0.08 -0.43 -0.07 0.00 -0.43 0.00 0.00 46.19 45.19 2yt8 s LEU 34 CO 0.19 -0.01 1.21 -0.22 -0.29 0.00 0.00 176.35 177.24 2yt8 s LEU 35 N 0.57 3.97 0.29 -0.68 2.96 0.12 -4.94 118.68 120.98 2yt8 s LEU 35 Ca -0.08 2.42 -0.21 0.00 -0.22 0.00 0.00 54.13 56.04 2yt8 s LEU 35 Cb -0.11 -4.25 -0.09 0.00 0.50 0.00 0.00 46.19 42.24 2yt8 s LEU 35 CO 0.00 -1.08 0.82 0.00 -1.32 0.00 0.00 176.35 174.77 2yt8 s ARG 36 N -2.75 4.33 -1.57 1.98 1.70 -1.26 -3.99 118.95 117.39 2yt8 s ARG 36 Ca 0.66 1.02 -0.09 0.00 -0.47 0.00 0.00 55.73 56.84 2yt8 s ARG 36 Cb -0.32 -2.72 0.08 0.00 -0.57 0.00 0.00 34.95 31.42 2yt8 s ARG 36 CO 0.38 0.28 0.58 0.41 -1.08 0.00 0.00 175.30 175.87 2yt8 n GLY 37 N 0.39 -0.33 0.00 3.88 0.00 -1.26 -4.95 105.19 102.92 2yt8 n GLY 37 Ca 0.01 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2yt8 n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2yt8 n GLY 38 N -1.74 3.58 0.17 -0.02 0.00 -1.26 -5.05 105.19 100.87 2yt8 n GLY 38 Ca -0.12 -2.16 -0.22 0.00 0.00 0.00 0.00 46.02 43.53 2yt8 n GLY 38 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2yt8 h ILE 39 N 0.50 1.30 0.02 -0.61 2.04 -1.92 -3.31 117.51 115.53 2yt8 h ILE 39 Ca 0.00 -2.41 -0.00 0.00 1.00 0.00 0.00 64.86 63.45 2yt8 h ILE 39 Cb 0.00 2.68 -0.00 0.00 -0.74 0.00 0.00 36.82 38.76 2yt8 h ILE 39 CO 0.00 0.73 -0.02 0.00 0.00 0.00 0.00 178.15 178.86 2yt8 h ALA 40 N 0.29 -0.77 -0.89 1.87 0.00 -1.93 -0.04 119.26 117.79 2yt8 h ALA 40 Ca -0.17 -0.01 0.36 0.00 0.00 0.00 0.00 54.91 55.09 2yt8 h ALA 40 Cb 1.84 0.27 -0.15 0.00 0.00 0.00 0.00 17.79 19.76 2yt8 h ALA 40 CO 0.22 -0.77 0.50 -1.91 0.00 0.00 0.00 179.25 177.29 2yt8 n GLU 41 N -2.39 -0.05 -0.03 0.00 2.13 -1.26 0.15 120.64 119.19 2yt8 n GLU 41 Ca -0.01 1.14 -0.13 0.00 0.66 0.00 0.00 57.16 58.83 2yt8 n GLU 41 Cb 0.02 -2.08 -0.08 0.00 0.27 0.00 0.00 31.44 29.56 2yt8 n GLU 41 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2yt8 h ARG 42 N 0.00 0.17 -0.62 5.31 3.08 -1.52 -3.24 114.38 117.56 2yt8 h ARG 42 Ca 0.72 -0.09 0.06 0.00 0.07 0.00 0.00 59.98 60.74 2yt8 h ARG 42 Cb 1.96 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.96 2yt8 h ARG 42 CO -0.61 0.60 0.32 0.78 -1.07 0.00 0.00 179.97 179.99 2yt8 h GLY 43 N -0.26 0.89 0.00 0.04 0.00 0.34 -3.46 103.07 100.62 2yt8 h GLY 43 Ca 0.01 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.13 2yt8 h GLY 43 CO 0.02 0.11 0.00 0.61 0.00 0.00 0.00 176.54 177.28 2yt8 n GLY 44 N -1.28 1.00 3.72 4.60 0.00 -0.41 -3.88 105.19 108.95 2yt8 n GLY 44 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 2yt8 n GLY 44 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2yt8 s ILE 45 N -1.00 4.39 -0.14 -0.61 -1.09 -1.20 -4.83 121.20 116.71 2yt8 s ILE 45 Ca 0.00 1.89 -0.00 0.00 -2.23 0.00 0.00 60.65 60.30 2yt8 s ILE 45 Cb 0.00 -4.21 0.03 0.00 -1.58 0.00 0.00 42.46 36.70 2yt8 s ILE 45 CO 0.00 0.24 -0.08 -0.13 -1.23 0.00 0.00 174.94 173.74 2yt8 s ARG 46 N 0.31 1.66 1.06 2.79 1.81 -1.26 -4.63 118.95 120.69 2yt8 s ARG 46 Ca 0.50 -0.42 -0.16 0.00 -1.72 0.00 0.00 55.73 53.93 2yt8 s ARG 46 Cb -0.25 -1.85 0.10 0.00 -0.45 0.00 0.00 34.95 32.50 2yt8 s ARG 46 CO 0.30 -0.32 0.25 1.33 -0.68 0.00 0.00 175.30 176.18 2yt8 n VAL 47 N 4.88 0.00 0.00 3.52 0.24 -1.26 -2.92 118.33 122.78 2yt8 n VAL 47 Ca -0.13 -0.27 0.00 0.00 -2.04 0.00 0.00 64.34 61.90 2yt8 n VAL 47 Cb 0.49 -0.65 0.00 0.00 -1.47 0.00 0.00 33.84 32.21 2yt8 n VAL 47 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2yt8 n GLY 48 N 1.73 2.01 3.77 7.63 0.00 0.75 -4.97 105.19 116.11 2yt8 n GLY 48 Ca 0.03 -0.07 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 2yt8 n GLY 48 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2yt8 s HIS 49 N -0.34 3.21 0.01 1.61 3.76 -1.15 -4.66 115.29 117.74 2yt8 s HIS 49 Ca 0.00 1.60 -0.03 0.00 -0.15 0.00 0.00 55.06 56.48 2yt8 s HIS 49 Cb 0.00 -3.31 -0.04 0.00 1.11 0.00 0.00 32.58 30.34 2yt8 s HIS 49 CO 0.00 -1.00 0.21 0.50 -0.85 0.00 0.00 174.74 173.60 2yt8 s ARG 50 N -2.20 3.47 -0.10 1.40 3.52 0.52 -2.95 118.95 122.61 2yt8 s ARG 50 Ca 0.55 -0.30 -0.19 0.00 -0.13 0.00 0.00 55.73 55.66 2yt8 s ARG 50 Cb -0.29 -3.07 -0.04 0.00 -1.56 0.00 0.00 34.95 29.99 2yt8 s ARG 50 CO 0.36 0.65 0.52 0.42 -0.81 0.00 0.00 175.30 176.44 2yt8 s ILE 51 N -1.37 5.15 -0.02 4.11 -1.09 -0.49 -0.16 121.20 127.33 2yt8 s ILE 51 Ca 0.29 1.05 0.07 0.00 -2.23 0.00 0.00 60.65 59.83 2yt8 s ILE 51 Cb -0.13 -3.86 -0.10 0.00 -1.58 0.00 0.00 42.46 36.79 2yt8 s ILE 51 CO 0.20 0.32 0.13 2.30 -1.23 0.00 0.00 174.94 176.66 2yt8 n ILE 52 N 3.64 0.06 -3.58 2.92 -5.35 -1.04 -4.35 119.36 111.66 2yt8 n ILE 52 Ca -0.06 -0.17 -0.16 0.00 -0.27 0.00 0.00 62.75 62.09 2yt8 n ILE 52 Cb 0.52 0.17 -0.07 0.00 -1.74 0.00 0.00 39.64 38.52 2yt8 n ILE 52 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 2yt8 s GLU 53 N -2.42 0.94 -0.04 6.28 2.12 -1.24 -1.65 118.70 122.68 2yt8 s GLU 53 Ca -0.03 0.55 -0.01 0.00 0.36 0.00 0.00 54.97 55.84 2yt8 s GLU 53 Cb 0.04 0.45 0.03 0.00 0.26 0.00 0.00 34.13 34.91 2yt8 s GLU 53 CO 0.27 -0.22 0.08 0.96 -0.54 0.00 0.00 175.26 175.81 2yt8 s ILE 54 N -0.52 -0.07 -1.35 -3.70 -5.25 -0.11 -0.83 121.20 109.38 2yt8 s ILE 54 Ca -0.06 0.23 0.00 0.00 -0.99 0.00 0.00 60.65 59.83 2yt8 s ILE 54 Cb -0.02 -0.16 0.00 0.00 2.95 0.00 0.00 42.46 45.23 2yt8 s ILE 54 CO 0.06 0.10 0.00 0.59 -1.79 0.00 0.00 174.94 173.89 2yt8 n ASN 55 N 4.37 -4.62 0.00 4.36 4.13 0.10 -0.20 115.26 123.40 2yt8 n ASN 55 Ca -0.24 0.13 0.00 0.00 1.68 0.00 0.00 54.58 56.16 2yt8 n ASN 55 Cb 0.51 -3.91 0.00 0.00 -1.54 0.00 0.00 39.78 34.84 2yt8 n ASN 55 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2yt8 n GLY 56 N -0.85 0.40 3.12 7.41 0.00 -1.26 -5.00 105.19 109.01 2yt8 n GLY 56 Ca -0.18 -1.03 -0.32 0.00 0.00 0.00 0.00 46.02 44.48 2yt8 n GLY 56 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2yt8 s GLN 57 N -2.31 2.90 -0.11 1.61 -0.21 0.72 -5.08 119.66 117.18 2yt8 s GLN 57 Ca 0.00 -0.80 -0.29 0.00 0.02 0.00 0.00 55.36 54.29 2yt8 s GLN 57 Cb 0.00 -2.48 -0.06 0.00 1.00 0.00 0.00 33.01 31.47 2yt8 s GLN 57 CO 0.00 -0.18 1.97 -1.12 -2.12 0.00 0.00 175.29 173.85 2yt8 s SER 58 N 1.22 6.08 -0.01 5.90 0.01 -1.26 -0.93 113.70 124.71 2yt8 s SER 58 Ca 0.03 2.15 0.14 0.00 1.31 0.00 0.00 55.95 59.57 2yt8 s SER 58 Cb -0.13 -2.52 -0.17 0.00 0.21 0.00 0.00 66.02 63.40 2yt8 s SER 58 CO -0.11 -1.42 0.49 1.33 0.41 0.00 0.00 173.24 173.94 2yt8 n VAL 59 N 6.52 0.00 -0.00 3.43 0.24 -0.66 -4.23 118.33 123.63 2yt8 n VAL 59 Ca 0.23 -0.23 0.21 0.00 -2.04 0.00 0.00 64.34 62.52 2yt8 n VAL 59 Cb 0.43 0.72 0.52 0.00 -1.47 0.00 0.00 33.84 34.05 2yt8 n VAL 59 CO 0.00 0.00 0.00 1.62 -2.14 0.00 0.00 176.83 176.31 2yt8 h VAL 60 N 0.00 0.11 0.00 3.34 3.04 -1.64 -0.23 116.25 120.87 2yt8 h VAL 60 Ca 0.00 0.00 -0.12 0.00 -1.01 0.00 0.00 66.70 65.57 2yt8 h VAL 60 Cb 0.43 0.27 -0.02 0.00 -2.01 0.00 0.00 31.29 29.96 2yt8 h VAL 60 CO 0.00 0.00 -1.46 0.00 -1.01 0.00 0.00 177.57 175.10 2yt8 n ALA 61 N -2.16 1.83 -1.58 3.17 0.00 -1.26 -5.03 120.51 115.48 2yt8 n ALA 61 Ca 0.13 -0.41 -0.45 0.00 0.00 0.00 0.00 53.44 52.71 2yt8 n ALA 61 Cb 1.08 0.18 -0.02 0.00 0.00 0.00 0.00 19.45 20.69 2yt8 n ALA 61 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2yt8 n THR 62 N -2.42 1.84 -2.26 0.00 -1.04 -0.10 -4.91 114.28 105.40 2yt8 n THR 62 Ca -0.12 -0.46 -0.40 0.00 -2.04 0.00 0.00 64.05 61.03 2yt8 n THR 62 Cb 0.69 -0.96 -0.03 0.00 -1.82 0.00 0.00 70.33 68.22 2yt8 n THR 62 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2yt8 s PRO 63 N -1.37 4.31 0.22 -2.82 0.04 -1.26 -4.79 135.00 129.33 2yt8 s PRO 63 Ca 0.61 1.99 -0.10 0.00 0.04 0.00 0.00 61.00 63.54 2yt8 s PRO 63 Cb -0.72 -2.96 0.32 0.00 0.04 0.00 0.00 34.50 31.17 2yt8 s PRO 63 CO 0.59 -0.14 1.32 1.58 0.04 0.00 0.00 177.00 180.38 2yt8 n HIS 64 N 0.63 0.19 -0.15 0.56 -0.00 -1.26 -0.88 115.22 114.32 2yt8 n HIS 64 Ca 0.01 1.04 -0.04 0.00 -0.00 0.00 0.00 57.72 58.73 2yt8 n HIS 64 Cb 0.44 -0.92 -0.04 0.00 -0.00 0.00 0.00 29.99 29.47 2yt8 n HIS 64 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2yt8 h ALA 65 N 1.49 -0.26 -0.10 1.57 0.00 -2.01 -1.29 119.26 118.65 2yt8 h ALA 65 Ca 0.36 0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.36 2yt8 h ALA 65 Cb 0.58 1.11 -0.06 0.00 0.00 0.00 0.00 17.79 19.41 2yt8 h ALA 65 CO -0.86 -0.41 -0.28 0.00 0.00 0.00 0.00 179.25 177.69 2yt8 h ARG 66 N -0.02 -0.36 -1.41 0.00 2.47 -1.38 -0.71 114.38 112.97 2yt8 h ARG 66 Ca 0.06 0.02 0.46 0.00 -1.26 0.00 0.00 59.98 59.26 2yt8 h ARG 66 Cb 0.17 0.08 -0.11 0.00 -1.65 0.00 0.00 29.97 28.46 2yt8 h ARG 66 CO -0.35 -0.24 0.94 -0.89 0.56 0.00 0.00 179.97 180.00 2yt8 n ILE 67 N -5.39 -0.17 -0.03 2.04 5.41 -0.55 0.62 119.36 121.29 2yt8 n ILE 67 Ca -0.03 1.56 -0.11 0.00 1.00 0.00 0.00 62.75 65.17 2yt8 n ILE 67 Cb 0.31 -2.58 -0.10 0.00 -0.71 0.00 0.00 39.64 36.56 2yt8 n ILE 67 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 2yt8 h ILE 68 N 0.00 1.32 -0.25 1.39 1.08 -0.45 -2.89 117.51 117.71 2yt8 h ILE 68 Ca 0.82 -1.75 0.03 0.00 -0.39 0.00 0.00 64.86 63.57 2yt8 h ILE 68 Cb 2.83 2.40 -0.03 0.00 -3.07 0.00 0.00 36.82 38.95 2yt8 h ILE 68 CO -0.31 0.41 0.07 -0.33 -0.69 0.00 0.00 178.15 177.30 2yt8 h GLU 69 N -0.89 0.17 0.36 2.37 4.39 0.48 -0.65 114.58 120.81 2yt8 h GLU 69 Ca -0.00 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 2yt8 h GLU 69 Cb 0.70 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.30 2yt8 h GLU 69 CO 0.01 0.11 -0.34 -0.07 -1.16 0.00 0.00 179.01 177.57 2yt8 h LEU 70 N 0.18 -0.91 -0.53 1.33 3.38 -0.69 0.26 115.31 118.32 2yt8 h LEU 70 Ca 0.11 0.07 0.11 0.00 0.09 0.00 0.00 57.88 58.26 2yt8 h LEU 70 Cb 0.10 0.30 -0.11 0.00 0.09 0.00 0.00 40.66 41.04 2yt8 h LEU 70 CO -0.13 -0.45 -0.21 -0.07 0.09 0.00 0.00 178.44 177.67 2yt8 h LEU 71 N -0.69 -0.73 -0.37 1.67 3.38 -1.45 -0.63 115.31 116.49 2yt8 h LEU 71 Ca -0.05 0.18 0.04 0.00 0.09 0.00 0.00 57.88 58.15 2yt8 h LEU 71 Cb 0.59 0.41 -0.04 0.00 0.09 0.00 0.00 40.66 41.71 2yt8 h LEU 71 CO -0.03 -0.24 0.12 0.74 0.09 0.00 0.00 178.44 179.13 2yt8 h THR 72 N -0.08 0.88 -0.75 0.22 2.02 -0.93 -1.55 112.91 112.72 2yt8 h THR 72 Ca 0.25 -0.09 0.11 0.00 0.77 0.00 0.00 66.41 67.44 2yt8 h THR 72 Cb 0.47 0.59 -0.05 0.00 -1.74 0.00 0.00 68.15 67.41 2yt8 h THR 72 CO -0.59 0.05 0.49 -0.33 0.37 0.00 0.00 175.52 175.52 2yt8 h GLU 73 N 0.27 0.58 -6.32 6.66 5.08 0.95 -3.41 114.58 118.38 2yt8 h GLU 73 Ca 0.17 -0.03 -0.58 0.00 -1.00 0.00 0.00 59.36 57.91 2yt8 h GLU 73 Cb 0.15 -0.13 0.02 0.00 0.50 0.00 0.00 28.75 29.29 2yt8 h GLU 73 CO -0.18 0.38 1.13 0.00 -1.00 0.00 0.00 179.01 179.34 2yt8 n ALA 74 N -2.47 1.18 -2.32 3.43 0.00 -0.46 -4.97 120.51 114.89 2yt8 n ALA 74 Ca 0.13 0.27 -0.23 0.00 0.00 0.00 0.00 53.44 53.61 2yt8 n ALA 74 Cb 0.38 -2.55 -0.05 0.00 0.00 0.00 0.00 19.45 17.23 2yt8 n ALA 74 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2yt8 s TYR 75 N 3.96 2.64 0.00 0.00 1.51 -1.26 -4.86 117.35 119.33 2yt8 s TYR 75 Ca 0.90 -0.55 0.00 0.00 -1.01 0.00 0.00 57.07 56.42 2yt8 s TYR 75 Cb -0.60 -2.07 0.00 0.00 -0.11 0.00 0.00 41.96 39.18 2yt8 s TYR 75 CO 0.47 0.01 0.00 0.41 -1.11 0.00 0.00 175.55 175.34 2yt8 n GLY 76 N -1.41 2.65 3.64 0.71 0.00 0.32 -4.23 105.19 106.87 2yt8 n GLY 76 Ca 0.01 0.30 -0.43 0.00 0.00 0.00 0.00 46.02 45.91 2yt8 n GLY 76 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2yt8 s GLU 77 N 0.00 3.98 -0.13 1.61 2.12 -1.26 -1.35 118.70 123.66 2yt8 s GLU 77 Ca 0.00 1.58 0.01 0.00 0.36 0.00 0.00 54.97 56.92 2yt8 s GLU 77 Cb 0.00 -3.92 -0.01 0.00 0.26 0.00 0.00 34.13 30.47 2yt8 s GLU 77 CO 0.00 -1.05 -0.16 0.08 -0.54 0.00 0.00 175.26 173.59 2yt8 s VAL 78 N 4.41 2.68 -0.20 3.70 1.01 -0.86 -4.99 120.40 126.14 2yt8 s VAL 78 Ca 0.63 -0.78 -0.10 0.00 0.00 0.00 0.00 61.98 61.72 2yt8 s VAL 78 Cb -0.22 -2.11 -0.05 0.00 0.00 0.00 0.00 36.38 34.00 2yt8 s VAL 78 CO 0.24 0.53 0.13 -1.00 0.00 0.00 0.00 175.10 175.00 2yt8 s HIS 79 N 0.55 3.39 -0.10 5.22 3.76 -1.26 -1.67 115.29 125.18 2yt8 s HIS 79 Ca -0.10 0.31 -0.01 0.00 -0.15 0.00 0.00 55.06 55.10 2yt8 s HIS 79 Cb -0.16 -2.17 0.03 0.00 1.11 0.00 0.00 32.58 31.39 2yt8 s HIS 79 CO 0.04 0.26 -0.01 0.42 -0.85 0.00 0.00 174.74 174.61 2yt8 s ILE 80 N 0.43 0.52 -0.49 0.60 1.01 -0.01 0.00 121.20 123.26 2yt8 s ILE 80 Ca 0.08 -0.08 -0.19 0.00 0.00 0.00 0.00 60.65 60.46 2yt8 s ILE 80 Cb -0.11 -0.72 0.05 0.00 0.01 0.00 0.00 42.46 41.69 2yt8 s ILE 80 CO -0.01 0.19 0.59 -0.75 0.00 0.00 0.00 174.94 174.96 2yt8 s LYS 81 N 1.90 3.12 0.14 2.79 2.20 -0.01 -0.18 119.74 129.71 2yt8 s LYS 81 Ca 0.04 -0.88 -0.06 0.00 -0.36 0.00 0.00 55.97 54.71 2yt8 s LYS 81 Cb -0.13 -4.08 -0.06 0.00 -1.51 0.00 0.00 37.83 32.05 2yt8 s LYS 81 CO -0.06 -1.15 0.40 0.95 -0.36 0.00 0.00 175.35 175.12 2yt8 s THR 82 N 2.51 5.13 -0.18 3.43 -4.23 0.10 -2.50 115.64 119.90 2yt8 s THR 82 Ca 0.14 0.15 -0.15 0.00 -1.18 0.00 0.00 61.69 60.66 2yt8 s THR 82 Cb -0.19 -3.62 0.05 0.00 1.34 0.00 0.00 72.50 70.08 2yt8 s THR 82 CO 0.12 0.07 0.48 -0.32 -0.54 0.00 0.00 174.62 174.42 2yt8 s MET 83 N -2.55 0.53 -0.17 3.99 0.00 0.77 -2.83 119.30 119.03 2yt8 s MET 83 Ca 0.40 0.73 -0.29 0.00 0.00 0.00 0.00 55.69 56.53 2yt8 s MET 83 Cb -0.12 0.20 -0.03 0.00 0.00 0.00 0.00 34.83 34.87 2yt8 s MET 83 CO 0.23 -0.09 1.57 -1.25 0.00 0.00 0.00 175.02 175.48 2yt8 s PRO 84 N 0.60 3.97 0.35 4.11 0.04 -1.26 -0.35 135.00 142.46 2yt8 s PRO 84 Ca -0.03 1.80 0.15 0.00 0.04 0.00 0.00 61.00 62.97 2yt8 s PRO 84 Cb -0.05 -3.98 1.17 0.00 0.04 0.00 0.00 34.50 31.68 2yt8 s PRO 84 CO -0.04 -1.08 1.58 0.00 0.04 0.00 0.00 177.00 177.50 2yt8 h ALA 85 N 10.01 1.87 -0.00 8.56 0.00 -1.91 -0.64 119.26 137.15 2yt8 h ALA 85 Ca -0.34 0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.86 2yt8 h ALA 85 Cb 1.15 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 19.32 2yt8 h ALA 85 CO 0.98 -0.83 -0.18 0.00 0.00 0.00 0.00 179.25 179.23 2yt8 h ALA 86 N 1.99 -0.64 0.33 0.00 0.00 -1.97 0.11 119.26 119.08 2yt8 h ALA 86 Ca 0.77 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.65 2yt8 h ALA 86 Cb 1.93 0.66 -0.03 0.00 0.00 0.00 0.00 17.79 20.35 2yt8 h ALA 86 CO -0.81 -0.70 -0.43 1.15 0.00 0.00 0.00 179.25 178.46 2yt8 h THR 87 N -0.22 0.00 -0.17 0.00 2.02 -1.54 0.14 112.91 113.15 2yt8 h THR 87 Ca 0.00 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.20 2yt8 h THR 87 Cb 0.24 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.63 2yt8 h THR 87 CO -0.12 0.00 -0.12 0.22 0.37 0.00 0.00 175.52 175.87 2yt8 h TYR 88 N -0.78 -0.37 -0.89 3.16 3.20 -1.33 0.46 116.97 120.42 2yt8 h TYR 88 Ca -0.04 0.02 0.22 0.00 3.14 0.00 0.00 58.73 62.07 2yt8 h TYR 88 Cb 0.70 0.18 -0.12 0.00 1.54 0.00 0.00 36.73 39.04 2yt8 h TYR 88 CO -0.29 -0.08 0.39 0.00 -1.64 0.00 0.00 178.16 176.54 2yt8 h ARG 89 N -0.02 0.39 -0.54 1.82 3.08 -0.74 0.43 114.38 118.80 2yt8 h ARG 89 Ca 0.03 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 2yt8 h ARG 89 Cb 0.09 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.03 2yt8 h ARG 89 CO -0.17 0.26 0.25 -0.07 -1.07 0.00 0.00 179.97 179.17 2yt8 h LEU 90 N 0.40 0.68 -0.20 3.04 3.38 0.14 0.08 115.31 122.83 2yt8 h LEU 90 Ca 0.55 -0.07 -0.10 0.00 0.09 0.00 0.00 57.88 58.35 2yt8 h LEU 90 Cb 1.04 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.61 2yt8 h LEU 90 CO -0.52 0.59 -0.26 -0.07 0.09 0.00 0.00 178.44 178.27 2yt8 h LEU 91 N 0.76 0.58 -1.38 1.67 3.38 0.42 -3.05 115.31 117.70 2yt8 h LEU 91 Ca 0.19 -0.50 -0.03 0.00 0.09 0.00 0.00 57.88 57.62 2yt8 h LEU 91 Cb 0.10 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 2yt8 h LEU 91 CO -0.02 0.97 -0.15 0.71 0.09 0.00 0.00 178.44 180.04 2yt8 h THR 92 N 0.21 0.41 -0.75 0.22 1.35 -0.82 -3.45 112.91 110.09 2yt8 h THR 92 Ca 0.03 -0.85 0.00 0.00 -0.55 0.00 0.00 66.41 65.03 2yt8 h THR 92 Cb 0.83 1.62 0.00 0.00 -1.73 0.00 0.00 68.15 68.86 2yt8 h THR 92 CO 0.06 0.15 0.00 0.61 -0.25 0.00 0.00 175.52 176.09 2yt8 n GLY 93 N -0.05 4.39 0.16 5.82 0.00 -0.01 -5.09 105.19 110.41 2yt8 n GLY 93 Ca -0.00 -1.78 0.15 0.00 0.00 0.00 0.00 46.02 44.39 2yt8 n GLY 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93