#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 4.76 -0.20 1.61 1.04 -1.26 -5.09 113.70 114.56 2yt8 s SER 2 Ca 0.00 -1.24 -0.18 0.00 0.48 0.00 0.00 55.95 55.01 2yt8 s SER 2 Cb 0.00 -1.68 -0.03 0.00 0.10 0.00 0.00 66.02 64.40 2yt8 s SER 2 CO 0.00 -0.23 0.51 -0.55 0.98 0.00 0.00 173.24 173.95 2yt8 s SER 3 N 1.24 6.56 0.09 7.02 0.15 -1.26 -4.88 113.70 122.63 2yt8 s SER 3 Ca -0.05 0.67 0.00 0.00 0.70 0.00 0.00 55.95 57.27 2yt8 s SER 3 Cb -0.19 -2.29 0.00 0.00 -1.71 0.00 0.00 66.02 61.83 2yt8 s SER 3 CO -0.02 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 174.86 2yt8 n GLY 4 N 3.88 -0.10 3.81 9.45 0.00 -1.26 -5.16 105.19 115.81 2yt8 n GLY 4 Ca -0.05 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.92 2yt8 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yt8 s SER 5 N -5.03 -0.10 1.29 1.61 0.15 -1.26 -5.17 113.70 105.19 2yt8 s SER 5 Ca 0.00 -0.64 -0.18 0.00 0.70 0.00 0.00 55.95 55.83 2yt8 s SER 5 Cb 0.00 0.58 0.32 0.00 -1.71 0.00 0.00 66.02 65.22 2yt8 s SER 5 CO 0.00 -1.12 0.99 -0.55 1.20 0.00 0.00 173.24 173.76 2yt8 s SER 6 N -3.10 -0.01 -0.12 5.45 0.15 -1.26 -4.99 113.70 109.83 2yt8 s SER 6 Ca 0.15 1.08 -0.19 0.00 0.70 0.00 0.00 55.95 57.69 2yt8 s SER 6 Cb -0.03 -1.61 -0.26 0.00 -1.71 0.00 0.00 66.02 62.41 2yt8 s SER 6 CO 0.05 -4.75 0.57 1.23 1.20 0.00 0.00 173.24 171.55 2yt8 h GLY 7 N -3.00 0.20 -5.23 9.45 0.00 -2.02 -3.46 103.07 99.01 2yt8 h GLY 7 Ca -0.51 -0.51 -0.67 0.00 0.00 0.00 0.00 47.33 45.64 2yt8 h GLY 7 CO 0.39 0.45 -0.59 0.14 0.00 0.00 0.00 176.54 176.92 2yt8 s VAL 8 N -2.41 4.56 -0.54 4.60 1.01 -1.26 -5.06 120.40 121.30 2yt8 s VAL 8 Ca -0.20 -0.26 -0.28 0.00 0.00 0.00 0.00 61.98 61.23 2yt8 s VAL 8 Cb 0.03 -2.98 0.02 0.00 0.00 0.00 0.00 36.38 33.45 2yt8 s VAL 8 CO 0.73 0.52 1.34 -0.89 0.00 0.00 0.00 175.10 176.80 2yt8 s THR 9 N -1.00 3.90 -0.26 3.92 2.01 -0.78 -4.97 115.64 118.45 2yt8 s THR 9 Ca 0.17 0.81 -0.12 0.00 0.31 0.00 0.00 61.69 62.85 2yt8 s THR 9 Cb -0.12 -4.49 -0.05 0.00 0.01 0.00 0.00 72.50 67.86 2yt8 s THR 9 CO 0.06 -1.14 0.26 -0.89 -0.69 0.00 0.00 174.62 172.22 2yt8 s THR 10 N 5.56 5.27 -0.03 -0.82 2.01 -1.26 0.09 115.64 126.45 2yt8 s THR 10 Ca 0.51 0.35 0.05 0.00 0.31 0.00 0.00 61.69 62.91 2yt8 s THR 10 Cb -0.10 -3.59 -0.01 0.00 0.01 0.00 0.00 72.50 68.81 2yt8 s THR 10 CO 0.27 0.25 -0.19 0.00 -0.69 0.00 0.00 174.62 174.26 2yt8 s ALA 11 N 1.60 1.66 -0.07 7.40 0.00 -0.41 -4.95 121.76 126.99 2yt8 s ALA 11 Ca 0.11 -0.80 0.03 0.00 0.00 0.00 0.00 51.96 51.30 2yt8 s ALA 11 Cb -0.15 -0.49 -0.02 0.00 0.00 0.00 0.00 23.12 22.46 2yt8 s ALA 11 CO 0.09 0.34 -0.17 0.42 0.00 0.00 0.00 175.76 176.44 2yt8 s ILE 12 N -0.19 2.81 0.06 0.00 1.01 -1.24 -0.04 121.20 123.63 2yt8 s ILE 12 Ca 0.01 -0.79 0.07 0.00 0.00 0.00 0.00 60.65 59.93 2yt8 s ILE 12 Cb -0.10 -2.10 -0.04 0.00 0.01 0.00 0.00 42.46 40.23 2yt8 s ILE 12 CO 0.01 0.57 -0.16 -0.63 0.00 0.00 0.00 174.94 174.74 2yt8 s ILE 13 N -0.35 2.98 -0.45 2.92 -1.09 -0.12 -3.96 121.20 121.13 2yt8 s ILE 13 Ca 0.03 -1.23 -0.07 0.00 -2.23 0.00 0.00 60.65 57.15 2yt8 s ILE 13 Cb -0.12 -2.31 0.11 0.00 -1.58 0.00 0.00 42.46 38.56 2yt8 s ILE 13 CO 0.02 0.25 0.29 -1.00 -1.23 0.00 0.00 174.94 173.28 2yt8 s HIS 14 N -1.03 3.48 -0.59 3.97 3.76 -1.26 -1.16 115.29 122.46 2yt8 s HIS 14 Ca 0.17 -2.06 -0.02 0.00 -0.15 0.00 0.00 55.06 53.00 2yt8 s HIS 14 Cb -0.11 -3.38 0.15 0.00 1.11 0.00 0.00 32.58 30.36 2yt8 s HIS 14 CO 0.08 -0.98 0.39 1.03 -0.85 0.00 0.00 174.74 174.41 2yt8 s ARG 15 N 1.28 2.42 0.23 1.40 0.52 -0.34 -4.93 118.95 119.53 2yt8 s ARG 15 Ca 0.06 -2.50 0.00 0.00 -0.52 0.00 0.00 55.73 52.78 2yt8 s ARG 15 Cb -0.25 -3.64 0.25 0.00 0.52 0.00 0.00 34.95 31.82 2yt8 s ARG 15 CO -0.02 -1.15 1.60 -1.00 0.02 0.00 0.00 175.30 174.75 2yt8 h PRO 16 N 7.00 0.48 -6.82 3.54 0.13 -1.94 1.09 132.00 135.47 2yt8 h PRO 16 Ca -0.03 -0.25 -0.68 0.00 -0.87 0.00 0.00 66.00 64.16 2yt8 h PRO 16 Cb 0.95 0.01 -0.20 0.00 0.13 0.00 0.00 31.00 31.88 2yt8 h PRO 16 CO 0.70 0.83 -0.84 -1.58 -0.23 0.00 0.00 178.00 176.89 2yt8 s HIS 17 N -4.17 2.41 -0.03 1.56 2.46 -1.26 -4.70 115.29 111.56 2yt8 s HIS 17 Ca -0.07 -0.33 0.09 0.00 0.47 0.00 0.00 55.06 55.23 2yt8 s HIS 17 Cb 0.12 -1.29 -0.23 0.00 -0.13 0.00 0.00 32.58 31.05 2yt8 s HIS 17 CO 0.81 0.36 0.70 0.00 -2.47 0.00 0.00 174.74 174.15 2yt8 h ALA 18 N 3.82 0.67 -0.19 1.58 0.00 -1.94 -3.33 119.26 119.86 2yt8 h ALA 18 Ca -0.50 -1.38 -0.09 0.00 0.00 0.00 0.00 54.91 52.93 2yt8 h ALA 18 Cb 1.17 0.44 -0.06 0.00 0.00 0.00 0.00 17.79 19.34 2yt8 h ALA 18 CO 0.42 1.50 0.12 0.54 0.00 0.00 0.00 179.25 181.83 2yt8 n ARG 19 N -3.15 1.29 -5.27 0.00 1.74 -1.26 -4.81 116.66 105.20 2yt8 n ARG 19 Ca -0.17 -0.59 -0.31 0.00 -0.77 0.00 0.00 57.85 56.01 2yt8 n ARG 19 Cb 1.04 -1.26 -0.16 0.00 -1.02 0.00 0.00 32.46 31.05 2yt8 n ARG 19 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2yt8 s GLU 20 N -0.70 2.48 1.11 5.56 0.41 -1.25 -5.12 118.70 121.18 2yt8 s GLU 20 Ca 0.11 -0.91 -0.20 0.00 -0.41 0.00 0.00 54.97 53.57 2yt8 s GLU 20 Cb 0.09 -2.14 0.08 0.00 -1.78 0.00 0.00 34.13 30.39 2yt8 s GLU 20 CO 0.02 0.40 -0.14 1.04 -0.49 0.00 0.00 175.26 176.10 2yt8 n GLN 21 N 2.88 -1.55 -0.06 1.61 1.13 -1.26 -5.00 117.38 115.14 2yt8 n GLN 21 Ca -0.17 -0.44 -0.09 0.00 -1.94 0.00 0.00 57.00 54.35 2yt8 n GLN 21 Cb 0.52 -1.61 -0.03 0.00 0.11 0.00 0.00 30.24 29.22 2yt8 n GLN 21 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 2yt8 n LEU 22 N -1.18 1.59 0.00 1.08 4.77 -1.26 -5.06 117.00 116.94 2yt8 n LEU 22 Ca 0.01 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 2yt8 n LEU 22 Cb 0.62 -0.60 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 2yt8 n LEU 22 CO 0.49 -0.23 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 2yt8 n GLY 23 N 2.05 3.06 3.87 -0.72 0.00 -1.26 -4.32 105.19 107.87 2yt8 n GLY 23 Ca -0.16 -1.14 -0.37 0.00 0.00 0.00 0.00 46.02 44.35 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 -0.01 3.62 -0.21 1.61 -0.71 -1.26 0.25 117.98 121.27 2yt8 s PHE 24 Ca 0.00 0.62 -0.06 0.00 -1.04 0.00 0.00 56.93 56.45 2yt8 s PHE 24 Cb 0.00 -2.01 -0.03 0.00 -1.21 0.00 0.00 43.02 39.77 2yt8 s PHE 24 CO 0.00 0.70 0.04 0.00 -1.34 0.00 0.00 175.22 174.62 2yt8 s VAL 26 N 1.00 4.31 -0.23 0.00 1.01 -1.26 -1.14 120.40 124.09 2yt8 s VAL 26 Ca 0.03 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 61.81 2yt8 s VAL 26 Cb -0.14 -2.92 0.06 0.00 0.00 0.00 0.00 36.38 33.38 2yt8 s VAL 26 CO 0.02 0.47 -0.04 -1.61 0.00 0.00 0.00 175.10 173.95 2yt8 s GLU 27 N 0.44 1.46 -1.34 2.72 2.02 -0.26 -4.75 118.70 118.99 2yt8 s GLU 27 Ca -0.00 -0.88 -0.02 0.00 0.02 0.00 0.00 54.97 54.09 2yt8 s GLU 27 Cb -0.13 -2.49 0.00 0.00 0.10 0.00 0.00 34.13 31.60 2yt8 s GLU 27 CO 0.02 -0.60 0.27 -0.25 0.02 0.00 0.00 175.26 174.71 2yt8 n ASP 28 N 4.74 -5.13 -0.01 -0.19 9.92 -1.26 -1.84 116.55 122.78 2yt8 n ASP 28 Ca -0.12 -0.13 -0.00 0.00 -0.53 0.00 0.00 54.79 54.01 2yt8 n ASP 28 Cb 0.45 -4.09 -0.00 0.00 -0.64 0.00 0.00 41.12 36.84 2yt8 n ASP 28 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2yt8 n GLY 29 N -1.21 0.42 2.68 0.44 0.00 -1.26 -5.01 105.19 101.25 2yt8 n GLY 29 Ca -0.14 -0.82 -0.25 0.00 0.00 0.00 0.00 46.02 44.81 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 0.16 0.47 -0.61 1.01 -0.77 -2.10 121.20 117.36 2yt8 s ILE 30 Ca 0.00 -0.12 -0.24 0.00 0.00 0.00 0.00 60.65 60.28 2yt8 s ILE 30 Cb 0.00 -0.62 -0.07 0.00 0.01 0.00 0.00 42.46 41.77 2yt8 s ILE 30 CO 0.00 -0.09 1.38 -0.63 0.00 0.00 0.00 174.94 175.61 2yt8 s ILE 31 N 2.04 2.18 0.00 2.92 1.01 -1.24 -1.10 121.20 127.01 2yt8 s ILE 31 Ca 0.02 0.15 0.00 0.00 0.00 0.00 0.00 60.65 60.82 2yt8 s ILE 31 Cb -0.15 -3.09 0.00 0.00 0.01 0.00 0.00 42.46 39.23 2yt8 s ILE 31 CO -0.07 0.02 0.00 0.00 0.00 0.00 0.00 174.94 174.89 2yt8 s SER 33 N -4.62 3.58 -0.04 0.00 0.01 -1.25 -4.70 113.70 106.67 2yt8 s SER 33 Ca 0.00 -0.91 -0.02 0.00 1.31 0.00 0.00 55.95 56.34 2yt8 s SER 33 Cb 0.00 -0.32 0.03 0.00 0.21 0.00 0.00 66.02 65.95 2yt8 s SER 33 CO 0.00 0.08 0.09 -0.22 0.41 0.00 0.00 173.24 173.61 2yt8 s LEU 34 N -3.05 0.87 -0.51 2.44 0.20 -1.26 -1.12 118.68 116.24 2yt8 s LEU 34 Ca 0.25 0.18 -0.27 0.00 0.69 0.00 0.00 54.13 54.98 2yt8 s LEU 34 Cb -0.07 0.16 -0.03 0.00 -0.43 0.00 0.00 46.19 45.82 2yt8 s LEU 34 CO 0.12 -0.14 1.99 -0.22 -0.29 0.00 0.00 176.35 177.81 2yt8 s LEU 35 N 1.15 3.36 -0.01 -0.68 2.96 0.14 -4.92 118.68 120.69 2yt8 s LEU 35 Ca -0.09 0.76 -0.30 0.00 -0.22 0.00 0.00 54.13 54.28 2yt8 s LEU 35 Cb -0.12 -2.75 -0.07 0.00 0.50 0.00 0.00 46.19 43.74 2yt8 s LEU 35 CO -0.05 -2.35 1.82 -0.60 -1.32 0.00 0.00 176.35 173.85 2yt8 s ARG 36 N 7.04 4.15 0.00 1.98 3.52 -1.26 -2.85 118.95 131.52 2yt8 s ARG 36 Ca 0.78 2.40 0.00 0.00 -0.13 0.00 0.00 55.73 58.78 2yt8 s ARG 36 Cb -0.16 -4.08 0.00 0.00 -1.56 0.00 0.00 34.95 29.14 2yt8 s ARG 36 CO 0.25 -0.92 0.00 0.41 -0.81 0.00 0.00 175.30 174.23 2yt8 n GLY 37 N 4.37 0.78 0.00 8.12 0.00 -1.26 -5.08 105.19 112.12 2yt8 n GLY 37 Ca 0.19 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.44 5.45 0.09 -0.02 0.00 -1.13 -5.09 105.19 104.06 2yt8 n GLY 38 Ca 0.00 -1.23 -0.18 0.00 0.00 0.00 0.00 46.02 44.60 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 0.00 0.85 -0.05 -0.61 2.04 -1.85 -3.34 117.51 114.56 2yt8 h ILE 39 Ca 0.00 -2.00 0.01 0.00 1.00 0.00 0.00 64.86 63.87 2yt8 h ILE 39 Cb 0.00 1.97 -0.02 0.00 -0.74 0.00 0.00 36.82 38.04 2yt8 h ILE 39 CO 0.00 0.29 -0.12 0.00 0.00 0.00 0.00 178.15 178.32 2yt8 h ALA 40 N -0.53 -0.49 -0.99 1.87 0.00 -1.89 0.29 119.26 117.53 2yt8 h ALA 40 Ca -0.26 -0.01 0.36 0.00 0.00 0.00 0.00 54.91 55.00 2yt8 h ALA 40 Cb 1.13 0.71 -0.17 0.00 0.00 0.00 0.00 17.79 19.47 2yt8 h ALA 40 CO -0.16 -0.54 0.46 1.49 0.00 0.00 0.00 179.25 180.51 2yt8 h GLU 41 N -0.12 0.12 -0.27 0.00 4.81 -1.80 1.34 114.58 118.66 2yt8 h GLU 41 Ca 0.01 -0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.10 2yt8 h GLU 41 Cb 0.15 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 2yt8 h GLU 41 CO -0.11 0.08 -0.36 0.00 -0.73 0.00 0.00 179.01 177.89 2yt8 h ARG 42 N 0.12 0.61 -0.08 1.92 3.08 -1.27 -3.23 114.38 115.53 2yt8 h ARG 42 Ca 0.76 -0.29 -0.02 0.00 0.07 0.00 0.00 59.98 60.49 2yt8 h ARG 42 Cb 1.85 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.89 2yt8 h ARG 42 CO -0.73 0.88 -0.05 0.78 -1.07 0.00 0.00 179.97 179.78 2yt8 h GLY 43 N 1.02 0.19 0.00 0.04 0.00 0.53 -3.48 103.07 101.37 2yt8 h GLY 43 Ca 0.05 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.21 2yt8 h GLY 43 CO 0.07 0.16 0.00 0.61 0.00 0.00 0.00 176.54 177.38 2yt8 n GLY 44 N 0.08 0.59 3.77 4.60 0.00 -0.07 -3.67 105.19 110.48 2yt8 n GLY 44 Ca -0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.68 4.87 -0.14 -0.61 -1.09 -1.19 -4.57 121.20 117.80 2yt8 s ILE 45 Ca 0.00 1.28 0.00 0.00 -2.23 0.00 0.00 60.65 59.70 2yt8 s ILE 45 Cb 0.00 -3.95 0.02 0.00 -1.58 0.00 0.00 42.46 36.96 2yt8 s ILE 45 CO 0.00 0.43 -0.11 -0.13 -1.23 0.00 0.00 174.94 173.89 2yt8 s ARG 46 N -0.26 1.99 0.51 2.79 1.81 -1.26 -4.65 118.95 119.88 2yt8 s ARG 46 Ca 0.32 -0.46 -0.23 0.00 -1.72 0.00 0.00 55.73 53.64 2yt8 s ARG 46 Cb -0.19 -1.93 -0.06 0.00 -0.45 0.00 0.00 34.95 32.32 2yt8 s ARG 46 CO 0.18 -0.26 1.28 1.33 -0.68 0.00 0.00 175.30 177.15 2yt8 n VAL 47 N 4.83 3.39 0.00 3.52 0.24 -1.26 -2.65 118.33 126.41 2yt8 n VAL 47 Ca -0.15 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.65 2yt8 n VAL 47 Cb 0.50 -1.57 0.00 0.00 -1.47 0.00 0.00 33.84 31.30 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 0.84 3.03 3.74 7.63 0.00 0.15 -4.95 105.19 115.63 2yt8 n GLY 48 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.78 3.46 -0.01 1.61 3.76 -1.08 -4.60 115.29 115.65 2yt8 s HIS 49 Ca 0.00 1.46 -0.20 0.00 -0.15 0.00 0.00 55.06 56.17 2yt8 s HIS 49 Cb 0.00 -3.39 -0.05 0.00 1.11 0.00 0.00 32.58 30.24 2yt8 s HIS 49 CO 0.00 -1.06 0.58 0.50 -0.85 0.00 0.00 174.74 173.91 2yt8 s ARG 50 N -0.27 4.31 0.29 1.40 6.06 0.44 -3.62 118.95 127.57 2yt8 s ARG 50 Ca 0.52 0.71 -0.28 0.00 -2.50 0.00 0.00 55.73 54.17 2yt8 s ARG 50 Cb -0.32 -3.35 -0.09 0.00 0.06 0.00 0.00 34.95 31.25 2yt8 s ARG 50 CO 0.36 0.35 0.98 0.42 -2.50 0.00 0.00 175.30 174.92 2yt8 s ILE 51 N -0.13 3.98 0.00 4.11 -1.09 -0.89 -0.54 121.20 126.64 2yt8 s ILE 51 Ca 0.31 1.83 0.00 0.00 -2.23 0.00 0.00 60.65 60.55 2yt8 s ILE 51 Cb -0.18 -4.10 0.00 0.00 -1.58 0.00 0.00 42.46 36.60 2yt8 s ILE 51 CO 0.17 0.32 0.00 2.30 -1.23 0.00 0.00 174.94 176.49 2yt8 n ILE 52 N 0.99 0.00 -3.69 2.92 -5.35 -1.11 -4.40 119.36 108.72 2yt8 n ILE 52 Ca 0.00 0.00 -0.13 0.00 -0.27 0.00 0.00 62.75 62.35 2yt8 n ILE 52 Cb 0.48 -0.08 -0.09 0.00 -1.74 0.00 0.00 39.64 38.21 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 -1.69 0.61 -0.03 6.28 2.12 -1.25 -1.73 118.70 123.02 2yt8 s GLU 53 Ca 0.00 0.76 0.02 0.00 0.36 0.00 0.00 54.97 56.11 2yt8 s GLU 53 Cb 0.00 0.28 0.01 0.00 0.26 0.00 0.00 34.13 34.68 2yt8 s GLU 53 CO 0.00 -0.08 -0.07 0.96 -0.54 0.00 0.00 175.26 175.53 2yt8 s ILE 54 N 0.40 0.66 -0.98 -3.70 -5.25 -0.43 -1.57 121.20 110.32 2yt8 s ILE 54 Ca -0.01 -0.25 -0.08 0.00 -0.99 0.00 0.00 60.65 59.33 2yt8 s ILE 54 Cb -0.04 -0.62 0.07 0.00 2.95 0.00 0.00 42.46 44.81 2yt8 s ILE 54 CO -0.01 0.23 0.30 0.59 -1.79 0.00 0.00 174.94 174.26 2yt8 n ASN 55 N 3.63 -2.67 -1.47 4.36 3.02 0.09 -0.04 115.26 122.19 2yt8 n ASN 55 Ca -0.21 -0.19 -0.06 0.00 -0.03 0.00 0.00 54.58 54.08 2yt8 n ASN 55 Cb 0.53 -2.29 0.02 0.00 -0.61 0.00 0.00 39.78 37.44 2yt8 n ASN 55 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2yt8 n GLY 56 N -0.91 0.44 2.91 7.41 0.00 -1.26 -5.02 105.19 108.75 2yt8 n GLY 56 Ca -0.01 -0.39 -0.15 0.00 0.00 0.00 0.00 46.02 45.47 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 -5.09 0.11 0.04 1.61 -0.21 0.95 -5.12 119.66 111.95 2yt8 s GLN 57 Ca 0.12 0.60 -0.34 0.00 0.02 0.00 0.00 55.36 55.76 2yt8 s GLN 57 Cb -0.05 -0.29 -0.12 0.00 1.00 0.00 0.00 33.01 33.54 2yt8 s GLN 57 CO 0.21 -0.35 1.76 -1.13 -2.12 0.00 0.00 175.29 173.66 2yt8 n SER 58 N 5.34 3.40 -0.00 5.90 3.41 -1.26 -1.31 113.62 129.10 2yt8 n SER 58 Ca -0.05 1.01 0.01 0.00 -0.26 0.00 0.00 58.87 59.58 2yt8 n SER 58 Cb 0.50 -1.42 -0.01 0.00 -0.26 0.00 0.00 64.21 63.02 2yt8 n SER 58 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 2yt8 n VAL 59 N 4.45 0.00 -0.05 -3.33 0.24 -0.70 -4.41 118.33 114.52 2yt8 n VAL 59 Ca 0.20 -0.37 0.22 0.00 -2.04 0.00 0.00 64.34 62.34 2yt8 n VAL 59 Cb 0.30 0.89 0.43 0.00 -1.47 0.00 0.00 33.84 33.99 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 0.06 0.00 3.34 3.04 -1.73 -1.51 116.25 119.44 2yt8 h VAL 60 Ca 0.00 0.00 -0.07 0.00 -1.01 0.00 0.00 66.70 65.62 2yt8 h VAL 60 Cb 0.04 0.14 -0.01 0.00 -2.01 0.00 0.00 31.29 29.44 2yt8 h VAL 60 CO 0.00 0.00 -1.24 0.00 -1.01 0.00 0.00 177.57 175.32 2yt8 n ALA 61 N -2.12 2.05 -1.41 3.17 0.00 -1.26 -5.05 120.51 115.88 2yt8 n ALA 61 Ca 0.16 -0.18 -0.49 0.00 0.00 0.00 0.00 53.44 52.93 2yt8 n ALA 61 Cb 1.25 0.41 -0.03 0.00 0.00 0.00 0.00 19.45 21.08 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 -2.72 1.84 -2.25 0.00 -1.04 -0.57 -4.86 114.28 104.68 2yt8 n THR 62 Ca -0.08 -0.46 -0.41 0.00 -2.04 0.00 0.00 64.05 61.07 2yt8 n THR 62 Cb 0.58 -0.02 -0.03 0.00 -1.82 0.00 0.00 70.33 69.04 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 -0.93 4.46 0.25 -2.82 0.04 -1.26 -4.85 135.00 129.89 2yt8 s PRO 63 Ca 0.66 2.06 -0.11 0.00 0.04 0.00 0.00 61.00 63.66 2yt8 s PRO 63 Cb -0.95 -3.12 0.36 0.00 0.04 0.00 0.00 34.50 30.83 2yt8 s PRO 63 CO 0.56 -0.04 1.46 1.58 0.04 0.00 0.00 177.00 180.60 2yt8 n HIS 64 N 0.99 0.23 -0.11 0.56 -0.00 -1.26 -1.24 115.22 114.39 2yt8 n HIS 64 Ca -0.00 1.15 -0.03 0.00 -0.00 0.00 0.00 57.72 58.83 2yt8 n HIS 64 Cb 0.43 -0.98 -0.03 0.00 -0.00 0.00 0.00 29.99 29.42 2yt8 n HIS 64 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2yt8 n ALA 65 N -3.60 -0.17 -0.06 1.57 0.00 -1.26 -1.07 120.51 115.92 2yt8 n ALA 65 Ca 0.13 0.22 -0.08 0.00 0.00 0.00 0.00 53.44 53.71 2yt8 n ALA 65 Cb 0.44 0.31 -0.02 0.00 0.00 0.00 0.00 19.45 20.18 2yt8 n ALA 65 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2yt8 h ARG 66 N 0.00 -0.27 -0.97 0.00 9.65 -1.55 -0.49 114.38 120.75 2yt8 h ARG 66 Ca 0.04 0.02 0.32 0.00 -1.10 0.00 0.00 59.98 59.26 2yt8 h ARG 66 Cb 0.11 0.06 -0.16 0.00 -1.39 0.00 0.00 29.97 28.59 2yt8 h ARG 66 CO -0.24 -0.18 0.40 0.82 2.80 0.00 0.00 179.97 183.57 2yt8 h ILE 67 N -0.28 0.18 -0.47 1.20 2.04 -0.66 1.01 117.51 120.53 2yt8 h ILE 67 Ca 0.14 -0.06 -0.10 0.00 1.00 0.00 0.00 64.86 65.85 2yt8 h ILE 67 Cb 0.51 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.57 2yt8 h ILE 67 CO -0.44 0.03 -0.10 0.40 0.00 0.00 0.00 178.15 178.05 2yt8 h ILE 68 N 0.16 1.26 -0.27 -0.67 1.08 0.57 -1.16 117.51 118.48 2yt8 h ILE 68 Ca 0.70 -1.18 -0.14 0.00 -0.39 0.00 0.00 64.86 63.85 2yt8 h ILE 68 Cb 1.64 1.01 -0.00 0.00 -3.07 0.00 0.00 36.82 36.39 2yt8 h ILE 68 CO -0.71 0.41 -0.40 -0.33 -0.69 0.00 0.00 178.15 176.43 2yt8 h GLU 69 N 0.76 0.74 0.63 2.37 3.07 0.13 -2.59 114.58 119.70 2yt8 h GLU 69 Ca 0.13 -0.44 -0.03 0.00 -0.50 0.00 0.00 59.36 58.52 2yt8 h GLU 69 Cb 0.60 0.04 0.01 0.00 -0.84 0.00 0.00 28.75 28.55 2yt8 h GLU 69 CO 0.04 1.07 -0.30 -0.07 -1.40 0.00 0.00 179.01 178.34 2yt8 h LEU 70 N 0.48 -0.72 -0.63 1.33 3.38 -0.54 0.92 115.31 119.54 2yt8 h LEU 70 Ca 0.03 0.02 0.12 0.00 0.09 0.00 0.00 57.88 58.14 2yt8 h LEU 70 Cb 0.99 0.19 -0.12 0.00 0.09 0.00 0.00 40.66 41.81 2yt8 h LEU 70 CO 0.09 -0.41 -0.23 -0.07 0.09 0.00 0.00 178.44 177.91 2yt8 h LEU 71 N -1.05 -0.82 -0.15 1.67 3.38 -1.33 0.22 115.31 117.23 2yt8 h LEU 71 Ca -0.09 0.21 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 2yt8 h LEU 71 Cb 0.65 0.47 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 2yt8 h LEU 71 CO 0.14 -0.25 0.08 0.74 0.09 0.00 0.00 178.44 179.24 2yt8 h THR 72 N -0.07 1.09 -0.46 0.22 2.02 -1.49 -2.41 112.91 111.81 2yt8 h THR 72 Ca 0.28 -0.25 0.08 0.00 0.77 0.00 0.00 66.41 67.29 2yt8 h THR 72 Cb 0.51 1.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.89 2yt8 h THR 72 CO -0.68 0.09 0.32 -0.33 0.37 0.00 0.00 175.52 175.29 2yt8 h GLU 73 N 0.14 0.27 -6.27 6.66 4.39 0.67 -3.41 114.58 117.03 2yt8 h GLU 73 Ca 0.05 -0.02 -0.55 0.00 0.34 0.00 0.00 59.36 59.19 2yt8 h GLU 73 Cb 0.07 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.66 2yt8 h GLU 73 CO -0.01 0.18 1.21 0.00 -1.16 0.00 0.00 179.01 179.22 2yt8 s ALA 74 N -5.27 3.43 0.46 3.43 0.00 0.62 -4.99 121.76 119.44 2yt8 s ALA 74 Ca -0.07 1.00 0.07 0.00 0.00 0.00 0.00 51.96 52.97 2yt8 s ALA 74 Cb 0.19 -3.85 0.00 0.00 0.00 0.00 0.00 23.12 19.46 2yt8 s ALA 74 CO 0.73 -1.74 0.41 0.71 0.00 0.00 0.00 175.76 175.87 2yt8 s TYR 75 N 4.95 2.33 0.00 0.00 1.51 -1.26 -4.91 117.35 119.97 2yt8 s TYR 75 Ca 0.83 -0.60 0.00 0.00 -1.01 0.00 0.00 57.07 56.28 2yt8 s TYR 75 Cb -0.36 -2.10 0.00 0.00 -0.11 0.00 0.00 41.96 39.39 2yt8 s TYR 75 CO 0.35 -0.27 0.00 0.41 -1.11 0.00 0.00 175.55 174.93 2yt8 n GLY 76 N -1.64 2.67 3.65 0.71 0.00 0.37 -4.33 105.19 106.63 2yt8 n GLY 76 Ca 0.03 0.33 -0.43 0.00 0.00 0.00 0.00 46.02 45.95 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 4.15 -0.37 1.61 2.56 -1.26 -1.20 118.70 124.18 2yt8 s GLU 77 Ca 0.00 1.77 0.03 0.00 0.00 0.00 0.00 54.97 56.77 2yt8 s GLU 77 Cb 0.00 -3.86 0.11 0.00 2.00 0.00 0.00 34.13 32.37 2yt8 s GLU 77 CO 0.00 -0.84 0.10 0.08 -0.56 0.00 0.00 175.26 174.04 2yt8 s VAL 78 N 3.89 2.12 -0.34 3.70 1.01 -0.31 -4.98 120.40 125.49 2yt8 s VAL 78 Ca 0.61 -2.41 -0.28 0.00 0.00 0.00 0.00 61.98 59.90 2yt8 s VAL 78 Cb -0.25 -2.55 0.02 0.00 0.00 0.00 0.00 36.38 33.60 2yt8 s VAL 78 CO 0.21 -0.66 1.05 -1.00 0.00 0.00 0.00 175.10 174.70 2yt8 s HIS 79 N 0.76 3.10 -0.23 5.22 3.76 -1.26 -0.95 115.29 125.69 2yt8 s HIS 79 Ca 0.12 1.07 0.01 0.00 -0.15 0.00 0.00 55.06 56.12 2yt8 s HIS 79 Cb -0.20 -3.76 0.04 0.00 1.11 0.00 0.00 32.58 29.77 2yt8 s HIS 79 CO -0.08 -0.83 -0.13 0.42 -0.85 0.00 0.00 174.74 173.27 2yt8 s ILE 80 N 3.70 2.27 -0.54 0.60 1.01 0.95 -0.73 121.20 128.45 2yt8 s ILE 80 Ca 0.44 -1.32 -0.24 0.00 0.00 0.00 0.00 60.65 59.54 2yt8 s ILE 80 Cb -0.12 -2.19 0.04 0.00 0.01 0.00 0.00 42.46 40.21 2yt8 s ILE 80 CO 0.18 0.18 0.91 -0.75 0.00 0.00 0.00 174.94 175.46 2yt8 s LYS 81 N 1.20 3.32 0.04 2.79 2.20 -0.61 -1.28 119.74 127.40 2yt8 s LYS 81 Ca -0.03 -0.30 -0.06 0.00 -0.36 0.00 0.00 55.97 55.22 2yt8 s LYS 81 Cb -0.17 -4.05 -0.05 0.00 -1.51 0.00 0.00 37.83 32.05 2yt8 s LYS 81 CO -0.07 -1.45 0.29 0.95 -0.36 0.00 0.00 175.35 174.71 2yt8 s THR 82 N 3.82 5.27 -0.16 3.43 -4.23 0.11 -2.76 115.64 121.13 2yt8 s THR 82 Ca 0.29 0.10 -0.14 0.00 -1.18 0.00 0.00 61.69 60.76 2yt8 s THR 82 Cb -0.13 -3.59 0.04 0.00 1.34 0.00 0.00 72.50 70.16 2yt8 s THR 82 CO 0.19 0.28 0.43 -0.32 -0.54 0.00 0.00 174.62 174.66 2yt8 s MET 83 N -2.00 0.49 -0.22 3.99 0.00 0.30 -1.87 119.30 119.99 2yt8 s MET 83 Ca 0.31 0.61 -0.29 0.00 0.00 0.00 0.00 55.69 56.32 2yt8 s MET 83 Cb -0.13 0.22 -0.03 0.00 0.00 0.00 0.00 34.83 34.90 2yt8 s MET 83 CO 0.19 -0.07 1.61 -1.25 0.00 0.00 0.00 175.02 175.51 2yt8 s PRO 84 N 0.32 3.79 0.34 4.11 0.04 -1.26 0.17 135.00 142.51 2yt8 s PRO 84 Ca -0.01 1.65 0.20 0.00 0.04 0.00 0.00 61.00 62.89 2yt8 s PRO 84 Cb -0.03 -4.04 1.24 0.00 0.04 0.00 0.00 34.50 31.71 2yt8 s PRO 84 CO -0.00 -1.30 1.44 0.00 0.04 0.00 0.00 177.00 177.17 2yt8 n ALA 85 N 8.46 0.97 0.03 8.56 0.00 -1.26 -1.02 120.51 136.25 2yt8 n ALA 85 Ca 0.19 0.91 -0.02 0.00 0.00 0.00 0.00 53.44 54.52 2yt8 n ALA 85 Cb 0.45 -0.93 -0.01 0.00 0.00 0.00 0.00 19.45 18.96 2yt8 n ALA 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2yt8 h ALA 86 N 1.78 -0.70 0.07 0.00 0.00 -1.95 0.84 119.26 119.30 2yt8 h ALA 86 Ca 0.78 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.69 2yt8 h ALA 86 Cb 2.10 0.42 -0.05 0.00 0.00 0.00 0.00 17.79 20.27 2yt8 h ALA 86 CO -0.67 -0.71 -0.51 1.15 0.00 0.00 0.00 179.25 178.51 2yt8 h THR 87 N -0.11 0.03 -0.66 0.00 2.02 -1.47 -1.12 112.91 111.59 2yt8 h THR 87 Ca -0.00 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.25 2yt8 h THR 87 Cb 0.11 0.03 -0.10 0.00 -1.74 0.00 0.00 68.15 66.44 2yt8 h THR 87 CO -0.02 0.00 -0.56 0.22 0.37 0.00 0.00 175.52 175.53 2yt8 h TYR 88 N -0.71 -1.73 -0.55 3.16 3.20 -1.39 0.19 116.97 119.14 2yt8 h TYR 88 Ca 0.01 0.10 0.11 0.00 3.14 0.00 0.00 58.73 62.09 2yt8 h TYR 88 Cb 0.74 0.84 -0.10 0.00 1.54 0.00 0.00 36.73 39.75 2yt8 h TYR 88 CO -0.47 -0.44 -0.09 0.00 -1.64 0.00 0.00 178.16 175.53 2yt8 h ARG 89 N -0.22 0.04 -1.01 1.82 2.47 -0.50 0.14 114.38 117.12 2yt8 h ARG 89 Ca 0.12 -0.00 0.06 0.00 -1.26 0.00 0.00 59.98 58.90 2yt8 h ARG 89 Cb 0.52 -0.01 -0.07 0.00 -1.65 0.00 0.00 29.97 28.77 2yt8 h ARG 89 CO -0.75 0.03 0.65 -0.07 0.56 0.00 0.00 179.97 180.39 2yt8 h LEU 90 N 0.04 1.06 -0.44 3.04 3.38 0.34 0.26 115.31 122.99 2yt8 h LEU 90 Ca 0.27 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 58.15 2yt8 h LEU 90 Cb 0.42 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 2yt8 h LEU 90 CO -0.53 0.68 -0.10 -0.07 0.09 0.00 0.00 178.44 178.51 2yt8 h LEU 91 N 1.20 0.86 -0.83 1.67 3.38 0.15 -2.99 115.31 118.75 2yt8 h LEU 91 Ca 0.43 -0.36 -0.12 0.00 0.09 0.00 0.00 57.88 57.92 2yt8 h LEU 91 Cb 0.13 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 2yt8 h LEU 91 CO -0.16 1.02 -0.54 0.71 0.09 0.00 0.00 178.44 179.56 2yt8 h THR 92 N 0.69 1.37 0.00 0.22 1.35 -0.12 -3.44 112.91 112.98 2yt8 h THR 92 Ca 0.11 -1.84 0.00 0.00 -0.55 0.00 0.00 66.41 64.14 2yt8 h THR 92 Cb 0.64 1.94 0.00 0.00 -1.73 0.00 0.00 68.15 69.00 2yt8 h THR 92 CO 0.04 0.54 0.00 0.61 -0.25 0.00 0.00 175.52 176.46 2yt8 n GLY 93 N 0.07 1.63 2.24 5.82 0.00 0.85 -5.09 105.19 110.71 2yt8 n GLY 93 Ca -0.02 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.42 2yt8 n GLY 93 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26