#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 4.52 0.13 1.61 0.01 -1.26 -5.14 113.70 113.57 2yt8 s SER 2 Ca 0.00 -0.81 0.08 0.00 1.31 0.00 0.00 55.95 56.53 2yt8 s SER 2 Cb 0.00 -0.69 -0.04 0.00 0.21 0.00 0.00 66.02 65.50 2yt8 s SER 2 CO 0.00 -0.24 -0.12 -0.44 0.41 0.00 0.00 173.24 172.85 2yt8 s SER 3 N -3.78 4.20 0.32 2.44 0.01 -1.26 -5.14 113.70 110.49 2yt8 s SER 3 Ca 0.36 -0.49 0.03 0.00 1.31 0.00 0.00 55.95 57.16 2yt8 s SER 3 Cb -0.02 -0.71 -0.05 0.00 0.21 0.00 0.00 66.02 65.44 2yt8 s SER 3 CO 0.21 0.16 0.08 -0.83 0.41 0.00 0.00 173.24 173.27 2yt8 s GLY 4 N -2.35 2.09 -0.02 3.44 0.00 -1.26 -5.08 107.32 104.14 2yt8 s GLY 4 Ca 0.21 -1.88 -0.02 0.00 0.00 0.00 0.00 44.72 43.04 2yt8 s GLY 4 CO 0.13 -1.77 -0.04 1.44 0.00 0.00 0.00 173.10 172.86 2yt8 n SER 5 N -0.74 0.42 -3.29 1.64 7.64 -1.26 -5.09 113.62 112.94 2yt8 n SER 5 Ca -0.02 0.06 0.03 0.00 1.01 0.00 0.00 58.87 59.95 2yt8 n SER 5 Cb 0.66 -0.15 -0.04 0.00 -1.01 0.00 0.00 64.21 63.67 2yt8 n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2yt8 s SER 6 N -5.43 -0.39 0.00 6.43 0.15 -1.26 -5.07 113.70 108.14 2yt8 s SER 6 Ca -0.04 0.49 0.00 0.00 0.70 0.00 0.00 55.95 57.10 2yt8 s SER 6 Cb 0.02 1.42 0.00 0.00 -1.71 0.00 0.00 66.02 65.75 2yt8 s SER 6 CO 0.06 -0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.03 2yt8 n GLY 7 N 4.89 0.00 3.09 9.45 0.00 -1.26 -5.08 105.19 116.28 2yt8 n GLY 7 Ca -0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.70 2yt8 n GLY 7 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2yt8 s VAL 8 N -1.59 1.18 -0.63 1.61 1.01 -1.26 -5.06 120.40 115.65 2yt8 s VAL 8 Ca 0.00 -0.60 -0.27 0.00 0.00 0.00 0.00 61.98 61.11 2yt8 s VAL 8 Cb 0.00 -1.02 0.03 0.00 0.00 0.00 0.00 36.38 35.40 2yt8 s VAL 8 CO 0.00 0.35 1.19 -0.89 0.00 0.00 0.00 175.10 175.74 2yt8 s THR 9 N -0.01 3.97 -0.13 3.92 2.01 -1.21 -5.00 115.64 119.19 2yt8 s THR 9 Ca -0.01 0.62 -0.17 0.00 0.31 0.00 0.00 61.69 62.43 2yt8 s THR 9 Cb -0.09 -4.77 -0.04 0.00 0.01 0.00 0.00 72.50 67.60 2yt8 s THR 9 CO 0.01 -1.50 0.44 -0.89 -0.69 0.00 0.00 174.62 171.99 2yt8 s THR 10 N 5.08 5.21 0.06 -0.82 2.01 -1.26 -2.33 115.64 123.59 2yt8 s THR 10 Ca 0.38 0.87 0.07 0.00 0.31 0.00 0.00 61.69 63.32 2yt8 s THR 10 Cb -0.09 -3.78 -0.03 0.00 0.01 0.00 0.00 72.50 68.62 2yt8 s THR 10 CO 0.21 0.34 -0.19 0.00 -0.69 0.00 0.00 174.62 174.28 2yt8 s ALA 11 N 0.59 1.65 -0.07 7.40 0.00 -0.85 -5.00 121.76 125.48 2yt8 s ALA 11 Ca 0.24 -1.06 0.05 0.00 0.00 0.00 0.00 51.96 51.19 2yt8 s ALA 11 Cb -0.15 -0.29 -0.01 0.00 0.00 0.00 0.00 23.12 22.68 2yt8 s ALA 11 CO 0.09 0.35 -0.22 0.42 0.00 0.00 0.00 175.76 176.40 2yt8 s ILE 12 N -0.90 2.30 -0.11 0.00 1.01 -1.21 -0.82 121.20 121.47 2yt8 s ILE 12 Ca 0.06 -0.97 -0.02 0.00 0.00 0.00 0.00 60.65 59.72 2yt8 s ILE 12 Cb -0.09 -1.86 -0.03 0.00 0.01 0.00 0.00 42.46 40.49 2yt8 s ILE 12 CO 0.02 0.57 -0.04 -0.63 0.00 0.00 0.00 174.94 174.86 2yt8 s ILE 13 N -0.13 3.95 -0.54 2.92 -1.09 -0.43 -4.04 121.20 121.85 2yt8 s ILE 13 Ca -0.04 -0.36 -0.17 0.00 -2.23 0.00 0.00 60.65 57.84 2yt8 s ILE 13 Cb -0.14 -2.68 0.09 0.00 -1.58 0.00 0.00 42.46 38.15 2yt8 s ILE 13 CO 0.04 0.55 0.57 -1.00 -1.23 0.00 0.00 174.94 173.87 2yt8 s HIS 14 N -0.31 3.12 -0.85 3.97 3.76 -1.25 -2.06 115.29 121.67 2yt8 s HIS 14 Ca 0.05 -0.95 -0.01 0.00 -0.15 0.00 0.00 55.06 54.00 2yt8 s HIS 14 Cb -0.12 -3.69 0.21 0.00 1.11 0.00 0.00 32.58 30.09 2yt8 s HIS 14 CO 0.02 -1.07 0.72 1.03 -0.85 0.00 0.00 174.74 174.60 2yt8 s ARG 15 N 2.18 3.15 0.40 1.40 0.52 0.04 -4.88 118.95 121.76 2yt8 s ARG 15 Ca 0.08 -3.21 0.19 0.00 -0.52 0.00 0.00 55.73 52.27 2yt8 s ARG 15 Cb -0.25 -3.90 0.82 0.00 0.52 0.00 0.00 34.95 32.15 2yt8 s ARG 15 CO 0.07 -1.26 1.81 -1.00 0.02 0.00 0.00 175.30 174.94 2yt8 h PRO 16 N 6.07 0.00 -6.49 3.54 0.13 -1.94 0.43 132.00 133.74 2yt8 h PRO 16 Ca 0.14 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.64 2yt8 h PRO 16 Cb 0.82 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 31.72 2yt8 h PRO 16 CO 0.83 0.34 -0.85 -1.58 -0.23 0.00 0.00 178.00 176.50 2yt8 s HIS 17 N -3.85 2.05 -0.06 1.56 2.46 -1.26 -4.90 115.29 111.30 2yt8 s HIS 17 Ca -0.01 -0.40 -0.02 0.00 0.47 0.00 0.00 55.06 55.10 2yt8 s HIS 17 Cb 0.12 -1.15 -0.27 0.00 -0.13 0.00 0.00 32.58 31.16 2yt8 s HIS 17 CO 0.68 0.22 0.61 0.00 -2.47 0.00 0.00 174.74 173.78 2yt8 h ALA 18 N 4.25 0.42 -0.19 1.58 0.00 -1.99 -3.33 119.26 119.99 2yt8 h ALA 18 Ca -0.47 -1.29 -0.09 0.00 0.00 0.00 0.00 54.91 53.06 2yt8 h ALA 18 Cb 1.17 0.50 -0.06 0.00 0.00 0.00 0.00 17.79 19.41 2yt8 h ALA 18 CO 0.41 1.28 0.12 0.54 0.00 0.00 0.00 179.25 181.59 2yt8 n ARG 19 N -3.40 1.29 -4.83 0.00 1.74 -1.26 -4.80 116.66 105.41 2yt8 n ARG 19 Ca -0.23 -0.59 -0.33 0.00 -0.77 0.00 0.00 57.85 55.93 2yt8 n ARG 19 Cb 1.05 -1.27 -0.16 0.00 -1.02 0.00 0.00 32.46 31.07 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 -0.71 3.21 0.98 5.56 0.41 -1.25 -5.12 118.70 121.78 2yt8 s GLU 20 Ca 0.11 -0.77 -0.14 0.00 -0.41 0.00 0.00 54.97 53.76 2yt8 s GLU 20 Cb 0.09 -2.52 0.14 0.00 -1.78 0.00 0.00 34.13 30.06 2yt8 s GLU 20 CO 0.02 0.13 0.19 1.04 -0.49 0.00 0.00 175.26 176.15 2yt8 n GLN 21 N 3.72 -1.97 -0.05 1.61 6.02 -1.26 -5.00 117.38 120.45 2yt8 n GLN 21 Ca -0.19 -0.58 -0.06 0.00 -0.01 0.00 0.00 57.00 56.16 2yt8 n GLN 21 Cb 0.52 -1.44 -0.02 0.00 1.02 0.00 0.00 30.24 30.32 2yt8 n GLN 21 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2yt8 n LEU 22 N -0.80 1.64 0.00 1.08 4.77 -1.26 -5.02 117.00 117.42 2yt8 n LEU 22 Ca 0.05 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 2yt8 n LEU 22 Cb 0.37 -0.63 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 2yt8 n LEU 22 CO 0.26 -0.39 0.00 0.61 -1.33 0.00 0.00 177.39 176.53 2yt8 n GLY 23 N 1.95 3.20 3.75 -0.72 0.00 -1.26 -4.20 105.19 107.90 2yt8 n GLY 23 Ca -0.10 -1.10 -0.38 0.00 0.00 0.00 0.00 46.02 44.44 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 0.00 3.59 -0.26 1.61 -0.71 -1.26 0.22 117.98 121.17 2yt8 s PHE 24 Ca 0.00 0.99 -0.13 0.00 -1.04 0.00 0.00 56.93 56.75 2yt8 s PHE 24 Cb 0.00 -2.53 -0.04 0.00 -1.21 0.00 0.00 43.02 39.24 2yt8 s PHE 24 CO 0.00 0.29 0.29 0.00 -1.34 0.00 0.00 175.22 174.46 2yt8 s VAL 26 N 1.78 4.96 -0.06 0.00 1.01 -1.26 -0.91 120.40 125.92 2yt8 s VAL 26 Ca 0.12 0.00 -0.01 0.00 0.00 0.00 0.00 61.98 62.09 2yt8 s VAL 26 Cb -0.15 -3.13 0.03 0.00 0.00 0.00 0.00 36.38 33.12 2yt8 s VAL 26 CO 0.09 0.61 -0.00 -1.61 0.00 0.00 0.00 175.10 174.20 2yt8 s GLU 27 N -0.95 0.56 -1.38 2.72 0.41 0.48 -4.80 118.70 115.74 2yt8 s GLU 27 Ca 0.14 0.10 0.00 0.00 -0.41 0.00 0.00 54.97 54.80 2yt8 s GLU 27 Cb -0.12 -0.87 0.00 0.00 -1.78 0.00 0.00 34.13 31.36 2yt8 s GLU 27 CO 0.03 -0.26 0.00 -0.25 -0.49 0.00 0.00 175.26 174.29 2yt8 n ASP 28 N 4.91 -4.18 0.00 -0.19 8.00 -1.26 0.20 116.55 124.03 2yt8 n ASP 28 Ca -0.11 0.24 0.00 0.00 0.71 0.00 0.00 54.79 55.62 2yt8 n ASP 28 Cb 0.50 -3.66 0.00 0.00 -0.02 0.00 0.00 41.12 37.94 2yt8 n ASP 28 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2yt8 n GLY 29 N -0.61 0.62 2.72 0.44 0.00 -1.26 -4.89 105.19 102.21 2yt8 n GLY 29 Ca -0.16 -0.61 -0.20 0.00 0.00 0.00 0.00 46.02 45.04 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 0.08 0.31 -0.61 1.01 0.13 -2.82 121.20 117.30 2yt8 s ILE 30 Ca 0.00 0.28 -0.29 0.00 0.00 0.00 0.00 60.65 60.64 2yt8 s ILE 30 Cb 0.00 -0.29 -0.11 0.00 0.01 0.00 0.00 42.46 42.07 2yt8 s ILE 30 CO 0.00 0.20 1.50 -0.63 0.00 0.00 0.00 174.94 176.01 2yt8 s ILE 31 N 1.93 2.29 0.06 2.92 1.01 -1.23 -0.39 121.20 127.79 2yt8 s ILE 31 Ca 0.03 0.26 -0.01 0.00 0.00 0.00 0.00 60.65 60.92 2yt8 s ILE 31 Cb -0.12 -3.16 -0.00 0.00 0.01 0.00 0.00 42.46 39.18 2yt8 s ILE 31 CO -0.04 0.05 -0.02 0.00 0.00 0.00 0.00 174.94 174.93 2yt8 s SER 33 N -5.85 4.80 -0.04 0.00 0.15 -1.23 -4.61 113.70 106.92 2yt8 s SER 33 Ca -0.02 -0.41 0.01 0.00 0.70 0.00 0.00 55.95 56.23 2yt8 s SER 33 Cb 0.00 -1.02 0.02 0.00 -1.71 0.00 0.00 66.02 63.31 2yt8 s SER 33 CO 0.03 0.08 -0.03 -0.22 1.20 0.00 0.00 173.24 174.30 2yt8 s LEU 34 N -3.04 1.27 0.29 3.45 0.20 -1.26 -0.39 118.68 119.20 2yt8 s LEU 34 Ca 0.28 -0.09 -0.29 0.00 0.69 0.00 0.00 54.13 54.72 2yt8 s LEU 34 Cb -0.09 -0.36 -0.10 0.00 -0.43 0.00 0.00 46.19 45.21 2yt8 s LEU 34 CO 0.19 -0.07 1.35 -0.22 -0.29 0.00 0.00 176.35 177.30 2yt8 s LEU 35 N 0.95 4.41 0.19 -0.68 2.96 0.13 -4.96 118.68 121.69 2yt8 s LEU 35 Ca -0.11 2.65 -0.30 0.00 -0.22 0.00 0.00 54.13 56.15 2yt8 s LEU 35 Cb -0.14 -3.64 -0.08 0.00 0.50 0.00 0.00 46.19 42.84 2yt8 s LEU 35 CO -0.01 -0.58 0.94 -0.60 -1.32 0.00 0.00 176.35 174.78 2yt8 s ARG 36 N -1.17 4.78 -1.31 1.98 3.52 -1.26 -3.81 118.95 121.68 2yt8 s ARG 36 Ca 0.53 1.45 -0.05 0.00 -0.13 0.00 0.00 55.73 57.53 2yt8 s ARG 36 Cb -0.40 -3.32 0.01 0.00 -1.56 0.00 0.00 34.95 29.69 2yt8 s ARG 36 CO 0.48 0.41 1.08 0.41 -0.81 0.00 0.00 175.30 176.87 2yt8 n GLY 37 N 1.79 -0.46 0.00 8.12 0.00 -1.26 -5.00 105.19 108.37 2yt8 n GLY 37 Ca -0.01 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.64 5.53 0.15 -0.02 0.00 -1.25 -5.06 105.19 102.90 2yt8 n GLY 38 Ca -0.12 -2.10 -0.25 0.00 0.00 0.00 0.00 46.02 43.55 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 0.36 1.28 0.00 -0.61 2.04 -1.90 -3.29 117.51 115.39 2yt8 h ILE 39 Ca 0.00 -2.71 0.00 0.00 1.00 0.00 0.00 64.86 63.15 2yt8 h ILE 39 Cb 0.00 3.04 -0.00 0.00 -0.74 0.00 0.00 36.82 39.12 2yt8 h ILE 39 CO 0.00 0.81 -0.00 0.00 0.00 0.00 0.00 178.15 178.96 2yt8 h ALA 40 N 0.16 -0.60 -0.99 1.87 0.00 -1.91 0.52 119.26 118.32 2yt8 h ALA 40 Ca -0.26 -0.00 0.35 0.00 0.00 0.00 0.00 54.91 55.00 2yt8 h ALA 40 Cb 2.17 0.41 -0.16 0.00 0.00 0.00 0.00 17.79 20.21 2yt8 h ALA 40 CO 0.28 -0.60 0.48 1.49 0.00 0.00 0.00 179.25 180.90 2yt8 h GLU 41 N -0.01 0.14 -0.23 0.00 4.57 -1.81 1.26 114.58 118.51 2yt8 h GLU 41 Ca -0.00 -0.01 -0.14 0.00 -1.18 0.00 0.00 59.36 58.03 2yt8 h GLU 41 Cb 0.01 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.55 2yt8 h GLU 41 CO -0.00 0.10 -0.44 0.00 -1.18 0.00 0.00 179.01 177.49 2yt8 h ARG 42 N 0.15 0.56 -0.27 1.92 3.08 -1.46 -3.19 114.38 115.17 2yt8 h ARG 42 Ca 0.75 -0.30 -0.15 0.00 0.07 0.00 0.00 59.98 60.35 2yt8 h ARG 42 Cb 1.83 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 31.89 2yt8 h ARG 42 CO -0.71 0.89 -0.42 0.78 -1.07 0.00 0.00 179.97 179.44 2yt8 h GLY 43 N 1.06 0.84 0.00 0.04 0.00 0.66 -3.48 103.07 102.19 2yt8 h GLY 43 Ca 0.03 -0.94 0.00 0.00 0.00 0.00 0.00 47.33 46.42 2yt8 h GLY 43 CO 0.08 0.85 0.00 0.61 0.00 0.00 0.00 176.54 178.08 2yt8 n GLY 44 N 0.31 0.85 3.80 4.60 0.00 0.33 -3.30 105.19 111.79 2yt8 n GLY 44 Ca -0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.15 5.04 -0.14 -0.61 -1.09 -1.13 -4.62 121.20 117.51 2yt8 s ILE 45 Ca 0.00 0.89 -0.02 0.00 -2.23 0.00 0.00 60.65 59.30 2yt8 s ILE 45 Cb 0.00 -3.75 0.04 0.00 -1.58 0.00 0.00 42.46 37.17 2yt8 s ILE 45 CO 0.00 0.51 0.01 -0.13 -1.23 0.00 0.00 174.94 174.10 2yt8 s ARG 46 N -0.64 0.77 0.66 2.79 1.81 -1.26 -4.57 118.95 118.51 2yt8 s ARG 46 Ca 0.24 -0.21 -0.17 0.00 -1.72 0.00 0.00 55.73 53.87 2yt8 s ARG 46 Cb -0.16 -1.62 -0.03 0.00 -0.45 0.00 0.00 34.95 32.68 2yt8 s ARG 46 CO 0.13 -0.46 0.90 1.33 -0.68 0.00 0.00 175.30 176.52 2yt8 n VAL 47 N 5.06 3.25 0.00 3.52 0.24 -1.26 -2.78 118.33 126.36 2yt8 n VAL 47 Ca -0.09 -0.45 0.00 0.00 -2.04 0.00 0.00 64.34 61.76 2yt8 n VAL 47 Cb 0.48 -1.07 0.00 0.00 -1.47 0.00 0.00 33.84 31.78 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 1.29 3.37 3.74 7.63 0.00 0.78 -4.96 105.19 117.03 2yt8 n GLY 48 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.54 3.71 -0.05 1.61 3.76 -1.12 -4.56 115.29 116.10 2yt8 s HIS 49 Ca 0.00 1.49 -0.24 0.00 -0.15 0.00 0.00 55.06 56.16 2yt8 s HIS 49 Cb 0.00 -2.87 -0.04 0.00 1.11 0.00 0.00 32.58 30.79 2yt8 s HIS 49 CO 0.00 0.21 0.73 0.50 -0.85 0.00 0.00 174.74 175.33 2yt8 s ARG 50 N 0.17 4.45 0.21 1.40 6.06 0.56 -3.57 118.95 128.22 2yt8 s ARG 50 Ca 0.40 0.94 -0.30 0.00 -2.50 0.00 0.00 55.73 54.27 2yt8 s ARG 50 Cb -0.20 -3.44 -0.08 0.00 0.06 0.00 0.00 34.95 31.29 2yt8 s ARG 50 CO 0.23 0.08 1.00 0.42 -2.50 0.00 0.00 175.30 174.53 2yt8 s ILE 51 N 0.72 4.03 0.00 4.11 -1.09 -1.13 -0.07 121.20 127.77 2yt8 s ILE 51 Ca 0.39 1.90 0.00 0.00 -2.23 0.00 0.00 60.65 60.71 2yt8 s ILE 51 Cb -0.18 -4.21 0.00 0.00 -1.58 0.00 0.00 42.46 36.48 2yt8 s ILE 51 CO 0.19 0.40 0.00 2.30 -1.23 0.00 0.00 174.94 176.60 2yt8 n ILE 52 N 1.89 0.00 -3.57 2.92 -5.35 -1.04 -4.44 119.36 109.77 2yt8 n ILE 52 Ca -0.00 -0.30 -0.13 0.00 -0.27 0.00 0.00 62.75 62.05 2yt8 n ILE 52 Cb 0.47 0.83 -0.06 0.00 -1.74 0.00 0.00 39.64 39.15 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 -1.08 0.76 -0.10 6.28 2.12 -1.22 -2.83 118.70 122.63 2yt8 s GLU 53 Ca 0.00 0.30 -0.06 0.00 0.36 0.00 0.00 54.97 55.57 2yt8 s GLU 53 Cb 0.00 0.36 0.04 0.00 0.26 0.00 0.00 34.13 34.79 2yt8 s GLU 53 CO 0.00 -0.21 0.24 0.96 -0.54 0.00 0.00 175.26 175.71 2yt8 s ILE 54 N -0.87 -0.03 -0.89 -3.70 -5.25 -0.03 -0.95 121.20 109.48 2yt8 s ILE 54 Ca -0.04 0.11 0.00 0.00 -0.99 0.00 0.00 60.65 59.72 2yt8 s ILE 54 Cb -0.01 -0.36 0.00 0.00 2.95 0.00 0.00 42.46 45.03 2yt8 s ILE 54 CO 0.04 0.04 0.00 0.59 -1.79 0.00 0.00 174.94 173.82 2yt8 n ASN 55 N 3.87 -3.24 -0.53 4.36 4.13 0.12 -0.42 115.26 123.55 2yt8 n ASN 55 Ca -0.22 0.25 -0.00 0.00 1.68 0.00 0.00 54.58 56.29 2yt8 n ASN 55 Cb 0.54 -2.83 0.00 0.00 -1.54 0.00 0.00 39.78 35.95 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 -0.66 0.94 2.86 7.41 0.00 -1.26 -4.96 105.19 109.52 2yt8 n GLY 56 Ca -0.12 -0.67 -0.15 0.00 0.00 0.00 0.00 46.02 45.08 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 -5.01 0.04 -0.19 1.61 -1.52 0.44 -5.11 119.66 109.92 2yt8 s GLN 57 Ca 0.01 0.40 -0.29 0.00 -1.95 0.00 0.00 55.36 53.53 2yt8 s GLN 57 Cb -0.00 -0.24 -0.04 0.00 -0.22 0.00 0.00 33.01 32.51 2yt8 s GLN 57 CO 0.01 -0.22 1.73 -1.54 -0.25 0.00 0.00 175.29 175.02 2yt8 s SER 58 N 1.55 6.28 0.00 5.90 1.04 -1.26 -0.85 113.70 126.35 2yt8 s SER 58 Ca -0.05 1.79 0.15 0.00 0.48 0.00 0.00 55.95 58.32 2yt8 s SER 58 Cb -0.12 -2.53 -0.03 0.00 0.10 0.00 0.00 66.02 63.45 2yt8 s SER 58 CO -0.05 -1.31 0.78 1.33 0.98 0.00 0.00 173.24 174.97 2yt8 n VAL 59 N 6.44 0.00 -0.06 5.02 0.24 -1.13 -4.49 118.33 124.36 2yt8 n VAL 59 Ca 0.20 -0.32 0.23 0.00 -2.04 0.00 0.00 64.34 62.41 2yt8 n VAL 59 Cb 0.45 1.15 0.70 0.00 -1.47 0.00 0.00 33.84 34.67 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 1.42 0.66 -0.12 3.34 3.04 -1.77 0.90 116.25 123.71 2yt8 h VAL 60 Ca 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 66.70 65.65 2yt8 h VAL 60 Cb 0.48 0.67 -0.02 0.00 -2.01 0.00 0.00 31.29 30.41 2yt8 h VAL 60 CO 0.00 0.00 -0.15 0.00 -1.01 0.00 0.00 177.57 176.41 2yt8 n ALA 61 N -2.66 3.22 -2.43 3.17 0.00 -1.26 -5.01 120.51 115.54 2yt8 n ALA 61 Ca 0.13 -2.87 -0.32 0.00 0.00 0.00 0.00 53.44 50.38 2yt8 n ALA 61 Cb 0.73 -0.51 -0.15 0.00 0.00 0.00 0.00 19.45 19.53 2yt8 n ALA 61 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2yt8 s THR 62 N -3.05 2.40 0.52 0.00 2.01 0.31 -5.12 115.64 112.70 2yt8 s THR 62 Ca 0.38 -0.97 -0.21 0.00 0.31 0.00 0.00 61.69 61.20 2yt8 s THR 62 Cb 0.34 -1.88 -0.06 0.00 0.01 0.00 0.00 72.50 70.91 2yt8 s THR 62 CO 0.01 0.58 1.14 -2.16 -0.69 0.00 0.00 174.62 173.50 2yt8 s PRO 63 N -0.57 3.49 0.18 4.92 0.04 -1.26 -4.81 135.00 136.99 2yt8 s PRO 63 Ca 0.08 1.66 -0.22 0.00 0.04 0.00 0.00 61.00 62.57 2yt8 s PRO 63 Cb -0.11 -2.14 0.10 0.00 0.04 0.00 0.00 34.50 32.39 2yt8 s PRO 63 CO 0.00 -0.75 1.58 1.25 0.04 0.00 0.00 177.00 179.13 2yt8 h HIS 64 N 1.48 -1.02 -0.77 0.56 -0.00 -1.95 -1.13 115.15 112.32 2yt8 h HIS 64 Ca -0.50 0.07 0.10 0.00 -0.00 0.00 0.00 60.37 60.05 2yt8 h HIS 64 Cb 1.26 0.53 -0.11 0.00 -0.00 0.00 0.00 27.41 29.09 2yt8 h HIS 64 CO 0.52 -0.39 -0.36 0.00 -0.00 0.00 0.00 177.93 177.70 2yt8 n ALA 65 N -3.14 -0.24 -0.01 5.26 0.00 -1.26 0.17 120.51 121.29 2yt8 n ALA 65 Ca 0.03 0.72 -0.12 0.00 0.00 0.00 0.00 53.44 54.08 2yt8 n ALA 65 Cb 0.35 -0.25 -0.07 0.00 0.00 0.00 0.00 19.45 19.48 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 0.09 -0.91 0.00 9.65 -1.62 -2.80 114.38 118.79 2yt8 h ARG 66 Ca 0.21 -0.02 0.25 0.00 -1.10 0.00 0.00 59.98 59.32 2yt8 h ARG 66 Cb 0.41 -0.01 -0.15 0.00 -1.39 0.00 0.00 29.97 28.83 2yt8 h ARG 66 CO -0.75 0.31 0.29 0.82 2.80 0.00 0.00 179.97 183.45 2yt8 h ILE 67 N -0.14 0.29 -0.29 1.20 2.04 0.71 0.25 117.51 121.58 2yt8 h ILE 67 Ca 0.02 -0.07 -0.04 0.00 1.00 0.00 0.00 64.86 65.76 2yt8 h ILE 67 Cb 0.26 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.39 2yt8 h ILE 67 CO 0.00 0.04 0.02 0.40 0.00 0.00 0.00 178.15 178.61 2yt8 h ILE 68 N 0.22 1.25 -0.81 -0.67 1.08 -0.81 -1.51 117.51 116.26 2yt8 h ILE 68 Ca 0.59 -0.87 0.01 0.00 -0.39 0.00 0.00 64.86 64.20 2yt8 h ILE 68 Cb 1.24 1.25 -0.04 0.00 -3.07 0.00 0.00 36.82 36.20 2yt8 h ILE 68 CO -0.66 0.28 0.54 -0.33 -0.69 0.00 0.00 178.15 177.29 2yt8 h GLU 69 N 0.30 1.06 0.28 2.37 5.08 -0.37 -1.40 114.58 121.90 2yt8 h GLU 69 Ca 0.08 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2yt8 h GLU 69 Cb 0.39 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.40 2yt8 h GLU 69 CO 0.01 0.70 -0.13 -0.07 -1.00 0.00 0.00 179.01 178.52 2yt8 h LEU 70 N 1.09 -0.32 -0.87 1.33 3.38 -0.71 -0.39 115.31 118.83 2yt8 h LEU 70 Ca 0.30 0.01 0.20 0.00 0.09 0.00 0.00 57.88 58.48 2yt8 h LEU 70 Cb -0.12 0.08 -0.16 0.00 0.09 0.00 0.00 40.66 40.55 2yt8 h LEU 70 CO -0.07 -0.18 -0.10 -0.07 0.09 0.00 0.00 178.44 178.12 2yt8 h LEU 71 N -0.48 -0.61 -0.39 1.67 3.38 -1.29 0.29 115.31 117.88 2yt8 h LEU 71 Ca -0.04 0.25 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 2yt8 h LEU 71 Cb 0.29 0.48 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 2yt8 h LEU 71 CO 0.06 -0.28 0.20 0.74 0.09 0.00 0.00 178.44 179.26 2yt8 h THR 72 N 0.03 1.15 -0.53 0.22 2.02 -1.28 -2.29 112.91 112.24 2yt8 h THR 72 Ca 0.46 -0.41 0.13 0.00 0.77 0.00 0.00 66.41 67.35 2yt8 h THR 72 Cb 0.80 0.73 -0.03 0.00 -1.74 0.00 0.00 68.15 67.91 2yt8 h THR 72 CO -0.84 0.16 0.37 -0.33 0.37 0.00 0.00 175.52 175.25 2yt8 h GLU 73 N 0.49 0.15 -6.02 6.66 5.08 0.13 -3.39 114.58 117.69 2yt8 h GLU 73 Ca 0.13 -0.01 -0.58 0.00 -1.00 0.00 0.00 59.36 57.91 2yt8 h GLU 73 Cb 0.08 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.23 2yt8 h GLU 73 CO -0.02 0.10 0.50 0.00 -1.00 0.00 0.00 179.01 178.59 2yt8 s ALA 74 N -5.16 3.54 0.35 3.43 0.00 -0.49 -5.04 121.76 118.37 2yt8 s ALA 74 Ca -0.06 0.11 0.09 0.00 0.00 0.00 0.00 51.96 52.10 2yt8 s ALA 74 Cb 0.20 -3.33 -0.07 0.00 0.00 0.00 0.00 23.12 19.92 2yt8 s ALA 74 CO 0.73 -0.74 -0.07 0.71 0.00 0.00 0.00 175.76 176.40 2yt8 s TYR 75 N 2.37 2.38 0.00 0.00 1.51 -1.26 -4.89 117.35 117.46 2yt8 s TYR 75 Ca 0.41 -0.55 0.00 0.00 -1.01 0.00 0.00 57.07 55.92 2yt8 s TYR 75 Cb -0.16 -1.43 0.00 0.00 -0.11 0.00 0.00 41.96 40.25 2yt8 s TYR 75 CO 0.12 0.53 0.00 0.41 -1.11 0.00 0.00 175.55 175.50 2yt8 n GLY 76 N -0.81 1.50 3.37 0.71 0.00 0.15 -4.51 105.19 105.60 2yt8 n GLY 76 Ca -0.05 0.05 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 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 3.04 -0.29 1.61 2.12 -1.26 -0.78 118.70 123.15 2yt8 s GLU 77 Ca 0.00 -1.34 -0.09 0.00 0.36 0.00 0.00 54.97 53.90 2yt8 s GLU 77 Cb 0.00 -4.26 -0.02 0.00 0.26 0.00 0.00 34.13 30.11 2yt8 s GLU 77 CO 0.00 -1.50 0.13 0.08 -0.54 0.00 0.00 175.26 173.43 2yt8 s VAL 78 N 2.55 4.55 -0.58 3.70 1.01 -0.88 -4.96 120.40 125.79 2yt8 s VAL 78 Ca 0.11 -0.30 -0.21 0.00 0.00 0.00 0.00 61.98 61.57 2yt8 s VAL 78 Cb -0.25 -3.25 0.06 0.00 0.00 0.00 0.00 36.38 32.95 2yt8 s VAL 78 CO 0.06 0.17 0.83 -1.00 0.00 0.00 0.00 175.10 175.16 2yt8 s HIS 79 N 1.62 2.85 -0.37 5.22 3.76 -1.26 -1.31 115.29 125.81 2yt8 s HIS 79 Ca 0.05 -0.47 -0.11 0.00 -0.15 0.00 0.00 55.06 54.38 2yt8 s HIS 79 Cb -0.16 -3.99 0.02 0.00 1.11 0.00 0.00 32.58 29.55 2yt8 s HIS 79 CO 0.06 -1.35 0.22 0.42 -0.85 0.00 0.00 174.74 173.23 2yt8 s ILE 80 N 3.44 4.72 -0.53 0.60 1.01 -0.00 0.15 121.20 130.60 2yt8 s ILE 80 Ca 0.21 -0.74 -0.24 0.00 0.00 0.00 0.00 60.65 59.88 2yt8 s ILE 80 Cb -0.17 -3.59 0.04 0.00 0.01 0.00 0.00 42.46 38.74 2yt8 s ILE 80 CO 0.12 -0.19 0.93 -0.75 0.00 0.00 0.00 174.94 175.05 2yt8 s LYS 81 N 1.59 3.37 0.11 2.79 2.20 -0.13 -2.01 119.74 127.66 2yt8 s LYS 81 Ca 0.03 -0.19 -0.01 0.00 -0.36 0.00 0.00 55.97 55.44 2yt8 s LYS 81 Cb -0.19 -4.03 -0.05 0.00 -1.51 0.00 0.00 37.83 32.06 2yt8 s LYS 81 CO 0.07 -1.42 0.29 0.95 -0.36 0.00 0.00 175.35 174.88 2yt8 s THR 82 N 3.87 5.29 -0.22 3.43 -4.23 -0.98 -2.49 115.64 120.31 2yt8 s THR 82 Ca 0.31 -0.27 -0.18 0.00 -1.18 0.00 0.00 61.69 60.37 2yt8 s THR 82 Cb -0.12 -3.65 0.06 0.00 1.34 0.00 0.00 72.50 70.13 2yt8 s THR 82 CO 0.21 0.05 0.57 -0.32 -0.54 0.00 0.00 174.62 174.59 2yt8 s MET 83 N -2.71 0.64 -0.21 3.99 0.00 0.90 -3.30 119.30 118.62 2yt8 s MET 83 Ca 0.37 0.87 -0.29 0.00 0.00 0.00 0.00 55.69 56.64 2yt8 s MET 83 Cb -0.12 0.25 -0.03 0.00 0.00 0.00 0.00 34.83 34.93 2yt8 s MET 83 CO 0.27 -0.10 1.60 -1.25 0.00 0.00 0.00 175.02 175.54 2yt8 s PRO 84 N 0.67 3.84 0.46 4.11 0.04 -1.26 0.21 135.00 143.06 2yt8 s PRO 84 Ca -0.03 1.70 0.37 0.00 0.04 0.00 0.00 61.00 63.08 2yt8 s PRO 84 Cb -0.05 -4.02 1.49 0.00 0.04 0.00 0.00 34.50 31.97 2yt8 s PRO 84 CO -0.04 -1.23 1.47 0.00 0.04 0.00 0.00 177.00 177.23 2yt8 n ALA 85 N 8.27 1.48 0.18 8.56 0.00 -1.26 -0.63 120.51 137.10 2yt8 n ALA 85 Ca 0.18 0.75 -0.09 0.00 0.00 0.00 0.00 53.44 54.28 2yt8 n ALA 85 Cb 0.45 -1.03 -0.05 0.00 0.00 0.00 0.00 19.45 18.82 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 1.29 -1.02 0.54 0.00 0.00 -1.95 0.12 119.26 118.25 2yt8 h ALA 86 Ca 0.85 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.64 2yt8 h ALA 86 Cb 3.01 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 21.20 2yt8 h ALA 86 CO -0.28 -1.01 -0.39 1.15 0.00 0.00 0.00 179.25 178.72 2yt8 h THR 87 N -0.53 0.22 -0.53 0.00 2.02 -1.27 -0.79 112.91 112.03 2yt8 h THR 87 Ca -0.04 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.22 2yt8 h THR 87 Cb 0.44 0.22 -0.10 0.00 -1.74 0.00 0.00 68.15 66.96 2yt8 h THR 87 CO 0.01 0.00 -0.41 0.22 0.37 0.00 0.00 175.52 175.71 2yt8 h TYR 88 N -0.90 -1.20 -0.59 3.16 3.20 -1.44 0.39 116.97 119.59 2yt8 h TYR 88 Ca -0.06 0.08 0.08 0.00 3.14 0.00 0.00 58.73 61.96 2yt8 h TYR 88 Cb 0.75 0.60 -0.06 0.00 1.54 0.00 0.00 36.73 39.56 2yt8 h TYR 88 CO -0.14 -0.42 0.25 0.00 -1.64 0.00 0.00 178.16 176.21 2yt8 h ARG 89 N -0.25 0.44 -0.18 1.82 2.47 -0.63 0.60 114.38 118.64 2yt8 h ARG 89 Ca 0.18 -0.03 -0.04 0.00 -1.26 0.00 0.00 59.98 58.83 2yt8 h ARG 89 Cb 0.57 -0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 28.78 2yt8 h ARG 89 CO -0.65 0.29 -0.05 -0.07 0.56 0.00 0.00 179.97 180.06 2yt8 h LEU 90 N 0.45 0.25 -0.02 3.04 3.38 0.53 0.19 115.31 123.12 2yt8 h LEU 90 Ca 0.28 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.19 2yt8 h LEU 90 Cb 0.30 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.99 2yt8 h LEU 90 CO -0.26 0.34 -0.07 -0.07 0.09 0.00 0.00 178.44 178.47 2yt8 h LEU 91 N 0.27 0.10 -0.21 1.67 3.38 0.13 -2.51 115.31 118.13 2yt8 h LEU 91 Ca 0.06 -0.62 0.00 0.00 0.09 0.00 0.00 57.88 57.41 2yt8 h LEU 91 Cb 0.26 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2yt8 h LEU 91 CO 0.01 0.70 0.00 0.35 0.09 0.00 0.00 178.44 179.59 2yt8 n THR 92 N -4.70 0.78 0.00 0.22 -2.24 0.04 -4.19 114.28 104.18 2yt8 n THR 92 Ca -0.09 0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 2yt8 n THR 92 Cb 0.35 -0.95 0.00 0.00 -2.10 0.00 0.00 70.33 67.63 2yt8 n THR 92 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2yt8 n GLY 93 N 0.31 0.73 0.00 3.38 0.00 0.04 -5.08 105.19 104.56 2yt8 n GLY 93 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2yt8 n GLY 93 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14