#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 -0.47 0.09 1.61 0.15 -1.26 -5.14 113.70 108.68 2yt8 s SER 2 Ca 0.00 0.82 -0.30 0.00 0.70 0.00 0.00 55.95 57.17 2yt8 s SER 2 Cb 0.00 1.60 -0.06 0.00 -1.71 0.00 0.00 66.02 65.85 2yt8 s SER 2 CO 0.00 -0.26 1.06 -0.55 1.20 0.00 0.00 173.24 174.70 2yt8 s SER 3 N 2.69 7.30 -0.43 5.45 0.15 -1.26 -4.96 113.70 122.64 2yt8 s SER 3 Ca 0.07 1.90 0.08 0.00 0.70 0.00 0.00 55.95 58.70 2yt8 s SER 3 Cb -0.14 -2.59 0.34 0.00 -1.71 0.00 0.00 66.02 61.93 2yt8 s SER 3 CO -0.16 -0.25 1.10 0.61 1.20 0.00 0.00 173.24 175.73 2yt8 n GLY 4 N 2.58 1.16 3.35 9.45 0.00 -1.26 -5.11 105.19 115.35 2yt8 n GLY 4 Ca 0.05 -0.28 -0.09 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.48 -0.55 -0.25 1.61 1.04 -1.26 -5.16 113.70 107.65 2yt8 s SER 5 Ca 0.25 1.05 -0.18 0.00 0.48 0.00 0.00 55.95 57.54 2yt8 s SER 5 Cb 0.32 1.08 0.07 0.00 0.10 0.00 0.00 66.02 67.59 2yt8 s SER 5 CO -0.06 -0.21 0.64 -0.44 0.98 0.00 0.00 173.24 174.15 2yt8 s SER 6 N 1.80 -0.79 0.00 7.02 0.01 -1.26 -5.04 113.70 115.44 2yt8 s SER 6 Ca -0.08 1.36 0.00 0.00 1.31 0.00 0.00 55.95 58.55 2yt8 s SER 6 Cb -0.09 1.30 0.00 0.00 0.21 0.00 0.00 66.02 67.44 2yt8 s SER 6 CO -0.14 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 173.89 2yt8 n GLY 7 N 3.63 0.17 3.73 3.44 0.00 -1.26 -5.12 105.19 109.78 2yt8 n GLY 7 Ca -0.18 0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 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 0.00 4.32 -0.15 1.61 1.01 -1.26 -5.01 120.40 120.91 2yt8 s VAL 8 Ca 0.00 1.89 -0.27 0.00 0.00 0.00 0.00 61.98 63.60 2yt8 s VAL 8 Cb 0.00 -4.21 -0.01 0.00 0.00 0.00 0.00 36.38 32.16 2yt8 s VAL 8 CO 0.00 0.27 0.92 -0.89 0.00 0.00 0.00 175.10 175.40 2yt8 s THR 9 N 0.12 4.82 -0.13 3.92 2.01 -1.06 -5.00 115.64 120.32 2yt8 s THR 9 Ca 0.49 1.82 0.01 0.00 0.31 0.00 0.00 61.69 64.32 2yt8 s THR 9 Cb -0.25 -4.22 -0.01 0.00 0.01 0.00 0.00 72.50 68.03 2yt8 s THR 9 CO 0.31 -0.00 -0.17 -0.89 -0.69 0.00 0.00 174.62 173.18 2yt8 s THR 10 N 2.22 2.64 0.04 -0.82 2.01 -1.26 -0.71 115.64 119.77 2yt8 s THR 10 Ca 0.42 -0.80 0.04 0.00 0.31 0.00 0.00 61.69 61.66 2yt8 s THR 10 Cb -0.17 -2.08 -0.02 0.00 0.01 0.00 0.00 72.50 70.23 2yt8 s THR 10 CO 0.13 0.53 -0.12 0.00 -0.69 0.00 0.00 174.62 174.48 2yt8 s ALA 11 N 0.47 0.94 -0.01 7.40 0.00 -0.67 -4.99 121.76 124.90 2yt8 s ALA 11 Ca -0.12 -0.80 0.08 0.00 0.00 0.00 0.00 51.96 51.12 2yt8 s ALA 11 Cb -0.16 -0.09 -0.02 0.00 0.00 0.00 0.00 23.12 22.84 2yt8 s ALA 11 CO 0.05 0.13 -0.26 0.42 0.00 0.00 0.00 175.76 176.11 2yt8 s ILE 12 N -1.03 2.11 0.13 0.00 1.01 -1.25 -0.42 121.20 121.76 2yt8 s ILE 12 Ca -0.02 -1.14 0.10 0.00 0.00 0.00 0.00 60.65 59.59 2yt8 s ILE 12 Cb -0.08 -1.75 -0.04 0.00 0.01 0.00 0.00 42.46 40.60 2yt8 s ILE 12 CO 0.01 0.54 -0.23 -0.63 0.00 0.00 0.00 174.94 174.64 2yt8 s ILE 13 N -0.65 2.52 -0.49 2.92 -1.09 -0.39 -4.25 121.20 119.77 2yt8 s ILE 13 Ca 0.10 -1.70 -0.12 0.00 -2.23 0.00 0.00 60.65 56.71 2yt8 s ILE 13 Cb -0.10 -2.15 0.11 0.00 -1.58 0.00 0.00 42.46 38.75 2yt8 s ILE 13 CO -0.00 0.06 0.39 -1.00 -1.23 0.00 0.00 174.94 173.16 2yt8 s HIS 14 N -1.19 3.33 -0.74 3.97 3.76 -1.26 -1.94 115.29 121.23 2yt8 s HIS 14 Ca 0.17 -1.51 0.01 0.00 -0.15 0.00 0.00 55.06 53.57 2yt8 s HIS 14 Cb -0.10 -3.49 0.18 0.00 1.11 0.00 0.00 32.58 30.28 2yt8 s HIS 14 CO 0.08 -0.96 0.56 1.03 -0.85 0.00 0.00 174.74 174.61 2yt8 s ARG 15 N 1.49 2.73 0.54 1.40 0.52 -0.47 -4.90 118.95 120.26 2yt8 s ARG 15 Ca 0.04 -3.09 0.34 0.00 -0.52 0.00 0.00 55.73 52.50 2yt8 s ARG 15 Cb -0.27 -3.67 1.39 0.00 0.52 0.00 0.00 34.95 32.92 2yt8 s ARG 15 CO 0.02 -1.24 1.98 -1.00 0.02 0.00 0.00 175.30 175.09 2yt8 h PRO 16 N 6.06 0.00 -5.29 3.54 0.13 -1.94 0.69 132.00 135.19 2yt8 h PRO 16 Ca 0.09 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.70 2yt8 h PRO 16 Cb 0.83 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 31.66 2yt8 h PRO 16 CO 0.76 0.00 -0.82 -1.58 -0.23 0.00 0.00 178.00 176.13 2yt8 s HIS 17 N -3.66 1.48 0.02 1.56 2.46 -1.26 -4.78 115.29 111.11 2yt8 s HIS 17 Ca 0.01 -0.35 0.01 0.00 0.47 0.00 0.00 55.06 55.20 2yt8 s HIS 17 Cb 0.09 -0.98 -0.26 0.00 -0.13 0.00 0.00 32.58 31.30 2yt8 s HIS 17 CO 0.53 -0.09 0.93 0.00 -2.47 0.00 0.00 174.74 173.63 2yt8 h ALA 18 N 6.04 0.36 -0.19 1.58 0.00 -1.89 -3.30 119.26 121.86 2yt8 h ALA 18 Ca -0.34 -1.12 -0.10 0.00 0.00 0.00 0.00 54.91 53.36 2yt8 h ALA 18 Cb 1.16 0.21 -0.06 0.00 0.00 0.00 0.00 17.79 19.11 2yt8 h ALA 18 CO 0.48 1.23 0.12 0.54 0.00 0.00 0.00 179.25 181.62 2yt8 n ARG 19 N -3.37 1.29 -4.59 0.00 1.74 -1.26 -4.83 116.66 105.64 2yt8 n ARG 19 Ca -0.13 -0.60 -0.30 0.00 -0.77 0.00 0.00 57.85 56.05 2yt8 n ARG 19 Cb 1.02 -1.27 -0.13 0.00 -1.02 0.00 0.00 32.46 31.06 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 1.81 0.83 5.56 0.41 -1.25 -5.13 118.70 120.22 2yt8 s GLU 20 Ca 0.11 -1.13 -0.12 0.00 -0.41 0.00 0.00 54.97 53.43 2yt8 s GLU 20 Cb 0.10 -2.06 0.18 0.00 -1.78 0.00 0.00 34.13 30.56 2yt8 s GLU 20 CO 0.02 0.50 0.41 1.04 -0.49 0.00 0.00 175.26 176.75 2yt8 n GLN 21 N 1.32 -2.00 -0.01 1.61 6.02 -1.26 -5.01 117.38 118.04 2yt8 n GLN 21 Ca -0.17 -0.70 -0.04 0.00 -0.01 0.00 0.00 57.00 56.09 2yt8 n GLN 21 Cb 0.52 -1.16 -0.01 0.00 1.02 0.00 0.00 30.24 30.61 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 0.00 0.38 0.00 1.08 4.77 -1.26 -5.06 117.00 116.91 2yt8 n LEU 22 Ca 0.07 0.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 2yt8 n LEU 22 Cb 0.29 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 2yt8 n LEU 22 CO 0.19 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.84 2yt8 n GLY 23 N 2.82 3.13 3.65 -0.72 0.00 -1.26 -4.32 105.19 108.49 2yt8 n GLY 23 Ca -0.07 -0.96 -0.39 0.00 0.00 0.00 0.00 46.02 44.60 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 -0.30 3.33 -0.23 1.61 -0.71 -1.26 0.23 117.98 120.66 2yt8 s PHE 24 Ca 0.00 0.66 -0.25 0.00 -1.04 0.00 0.00 56.93 56.30 2yt8 s PHE 24 Cb 0.00 -2.63 -0.01 0.00 -1.21 0.00 0.00 43.02 39.17 2yt8 s PHE 24 CO 0.00 -0.13 0.84 0.00 -1.34 0.00 0.00 175.22 174.58 2yt8 s VAL 26 N 2.71 4.15 -0.25 0.00 1.01 -1.26 -1.18 120.40 125.58 2yt8 s VAL 26 Ca 0.36 -0.26 0.02 0.00 0.00 0.00 0.00 61.98 62.10 2yt8 s VAL 26 Cb -0.16 -2.84 0.05 0.00 0.00 0.00 0.00 36.38 33.43 2yt8 s VAL 26 CO 0.08 0.47 -0.12 -1.61 0.00 0.00 0.00 175.10 173.92 2yt8 s GLU 27 N 0.49 2.43 -1.58 2.72 0.41 0.68 -4.68 118.70 119.18 2yt8 s GLU 27 Ca -0.01 -1.22 0.00 0.00 -0.41 0.00 0.00 54.97 53.32 2yt8 s GLU 27 Cb -0.14 -2.84 0.00 0.00 -1.78 0.00 0.00 34.13 29.37 2yt8 s GLU 27 CO 0.02 -0.49 0.00 -0.25 -0.49 0.00 0.00 175.26 174.05 2yt8 n ASP 28 N 4.49 -5.25 0.00 -0.19 9.92 -1.26 -0.72 116.55 123.54 2yt8 n ASP 28 Ca -0.15 0.08 0.00 0.00 -0.53 0.00 0.00 54.79 54.18 2yt8 n ASP 28 Cb 0.44 -4.41 0.00 0.00 -0.64 0.00 0.00 41.12 36.51 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 -0.91 0.65 2.77 0.44 0.00 -1.26 -4.81 105.19 102.07 2yt8 n GLY 29 Ca -0.21 -0.46 -0.26 0.00 0.00 0.00 0.00 46.02 45.09 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 0.57 0.17 -0.61 1.01 0.10 -1.74 121.20 118.69 2yt8 s ILE 30 Ca 0.00 -0.36 -0.31 0.00 0.00 0.00 0.00 60.65 59.97 2yt8 s ILE 30 Cb 0.00 -0.92 -0.10 0.00 0.01 0.00 0.00 42.46 41.45 2yt8 s ILE 30 CO 0.00 -0.02 1.55 -0.63 0.00 0.00 0.00 174.94 175.84 2yt8 s ILE 31 N 1.86 2.68 -0.13 2.92 1.01 -1.23 -0.23 121.20 128.07 2yt8 s ILE 31 Ca 0.01 0.49 -0.07 0.00 0.00 0.00 0.00 60.65 61.08 2yt8 s ILE 31 Cb -0.15 -3.31 -0.06 0.00 0.01 0.00 0.00 42.46 38.95 2yt8 s ILE 31 CO -0.07 0.04 -0.18 0.00 0.00 0.00 0.00 174.94 174.73 2yt8 s SER 33 N -6.25 3.56 -0.01 0.00 1.04 -1.24 -4.55 113.70 106.23 2yt8 s SER 33 Ca -0.19 -1.07 0.01 0.00 0.48 0.00 0.00 55.95 55.18 2yt8 s SER 33 Cb 0.07 -0.30 0.01 0.00 0.10 0.00 0.00 66.02 65.90 2yt8 s SER 33 CO 0.25 -0.03 -0.02 -0.22 0.98 0.00 0.00 173.24 174.20 2yt8 s LEU 34 N -3.52 1.67 -0.18 2.42 0.20 -1.26 -0.91 118.68 117.10 2yt8 s LEU 34 Ca 0.30 -0.06 -0.29 0.00 0.69 0.00 0.00 54.13 54.77 2yt8 s LEU 34 Cb -0.03 -0.22 -0.03 0.00 -0.43 0.00 0.00 46.19 45.48 2yt8 s LEU 34 CO 0.15 -0.01 1.63 -0.22 -0.29 0.00 0.00 176.35 177.60 2yt8 s LEU 35 N 0.37 3.99 -0.39 -0.68 2.96 0.13 -4.94 118.68 120.12 2yt8 s LEU 35 Ca -0.04 1.77 -0.29 0.00 -0.22 0.00 0.00 54.13 55.36 2yt8 s LEU 35 Cb -0.07 -3.53 0.01 0.00 0.50 0.00 0.00 46.19 43.10 2yt8 s LEU 35 CO -0.01 -1.18 1.46 -0.60 -1.32 0.00 0.00 176.35 174.70 2yt8 s ARG 36 N 4.53 3.56 0.00 1.98 3.52 -1.26 -3.21 118.95 128.07 2yt8 s ARG 36 Ca 0.72 1.02 0.00 0.00 -0.13 0.00 0.00 55.73 57.34 2yt8 s ARG 36 Cb -0.27 -4.04 0.00 0.00 -1.56 0.00 0.00 34.95 29.08 2yt8 s ARG 36 CO 0.29 -1.58 0.00 0.41 -0.81 0.00 0.00 175.30 173.60 2yt8 n GLY 37 N 5.09 1.32 0.00 8.12 0.00 -1.26 -5.11 105.19 113.34 2yt8 n GLY 37 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.31 5.08 0.12 -0.02 0.00 -1.20 -5.08 105.19 103.77 2yt8 n GLY 38 Ca 0.00 -1.75 -0.22 0.00 0.00 0.00 0.00 46.02 44.05 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 0.84 -0.01 -0.61 2.04 -1.88 -3.37 117.51 114.53 2yt8 h ILE 39 Ca 0.00 -2.24 0.01 0.00 1.00 0.00 0.00 64.86 63.63 2yt8 h ILE 39 Cb 0.00 2.34 -0.02 0.00 -0.74 0.00 0.00 36.82 38.40 2yt8 h ILE 39 CO 0.00 0.51 -0.23 0.00 0.00 0.00 0.00 178.15 178.43 2yt8 h ALA 40 N -0.30 -0.68 -0.92 1.87 0.00 -1.91 0.47 119.26 117.80 2yt8 h ALA 40 Ca -0.37 -0.03 0.27 0.00 0.00 0.00 0.00 54.91 54.78 2yt8 h ALA 40 Cb 1.54 0.71 -0.17 0.00 0.00 0.00 0.00 17.79 19.88 2yt8 h ALA 40 CO -0.11 -0.75 0.09 -1.91 0.00 0.00 0.00 179.25 176.58 2yt8 n GLU 41 N -3.77 -0.07 0.02 0.00 0.00 -1.26 0.20 120.64 115.76 2yt8 n GLU 41 Ca -0.03 1.36 -0.11 0.00 0.00 0.00 0.00 57.16 58.38 2yt8 n GLU 41 Cb 0.17 -2.20 0.03 0.00 0.00 0.00 0.00 31.44 29.43 2yt8 n GLU 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2yt8 h ARG 42 N 0.00 0.52 -0.14 5.31 3.08 -1.46 -3.27 114.38 118.41 2yt8 h ARG 42 Ca 0.59 -0.38 -0.01 0.00 0.07 0.00 0.00 59.98 60.25 2yt8 h ARG 42 Cb 1.30 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.40 2yt8 h ARG 42 CO -0.84 1.00 0.04 0.78 -1.07 0.00 0.00 179.97 179.88 2yt8 h GLY 43 N 1.09 0.25 0.00 0.04 0.00 0.71 -3.47 103.07 101.68 2yt8 h GLY 43 Ca -0.02 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.16 2yt8 h GLY 43 CO 0.12 0.14 0.00 0.61 0.00 0.00 0.00 176.54 177.41 2yt8 n GLY 44 N -0.54 0.53 3.76 4.60 0.00 0.46 -3.95 105.19 110.04 2yt8 n GLY 44 Ca -0.05 0.00 -0.37 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 -0.62 5.20 -0.08 -0.61 -1.09 -1.17 -4.70 121.20 118.13 2yt8 s ILE 45 Ca 0.00 0.76 0.01 0.00 -2.23 0.00 0.00 60.65 59.18 2yt8 s ILE 45 Cb 0.00 -3.71 0.02 0.00 -1.58 0.00 0.00 42.46 37.19 2yt8 s ILE 45 CO 0.00 0.42 -0.08 -0.13 -1.23 0.00 0.00 174.94 173.92 2yt8 s ARG 46 N 0.11 1.42 1.00 2.79 1.81 -1.26 -4.58 118.95 120.24 2yt8 s ARG 46 Ca 0.22 -0.26 -0.12 0.00 -1.72 0.00 0.00 55.73 53.84 2yt8 s ARG 46 Cb -0.15 -1.37 0.14 0.00 -0.45 0.00 0.00 34.95 33.12 2yt8 s ARG 46 CO 0.08 -0.14 0.77 1.33 -0.68 0.00 0.00 175.30 176.66 2yt8 n VAL 47 N 4.44 0.00 0.00 3.52 0.24 -1.26 -3.22 118.33 122.05 2yt8 n VAL 47 Ca -0.17 -0.18 0.00 0.00 -2.04 0.00 0.00 64.34 61.95 2yt8 n VAL 47 Cb 0.51 -0.84 0.00 0.00 -1.47 0.00 0.00 33.84 32.04 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 0.98 2.49 3.73 7.63 0.00 0.26 -4.99 105.19 115.29 2yt8 n GLY 48 Ca 0.07 -0.21 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.14 3.74 0.13 1.61 3.76 -1.20 -4.44 115.29 117.75 2yt8 s HIS 49 Ca 0.00 1.73 -0.16 0.00 -0.15 0.00 0.00 55.06 56.48 2yt8 s HIS 49 Cb 0.00 -3.12 -0.07 0.00 1.11 0.00 0.00 32.58 30.50 2yt8 s HIS 49 CO 0.00 -0.02 0.57 0.50 -0.85 0.00 0.00 174.74 174.94 2yt8 s ARG 50 N 0.09 4.07 0.02 1.40 3.52 0.21 -3.55 118.95 124.71 2yt8 s ARG 50 Ca 0.48 0.60 -0.28 0.00 -0.13 0.00 0.00 55.73 56.41 2yt8 s ARG 50 Cb -0.24 -3.02 -0.04 0.00 -1.56 0.00 0.00 34.95 30.08 2yt8 s ARG 50 CO 0.30 0.52 0.87 0.42 -0.81 0.00 0.00 175.30 176.61 2yt8 s ILE 51 N -1.36 4.81 0.00 4.11 -1.09 -0.71 -0.63 121.20 126.32 2yt8 s ILE 51 Ca 0.35 1.84 0.00 0.00 -2.23 0.00 0.00 60.65 60.62 2yt8 s ILE 51 Cb -0.17 -4.22 0.00 0.00 -1.58 0.00 0.00 42.46 36.50 2yt8 s ILE 51 CO 0.19 0.25 0.00 2.30 -1.23 0.00 0.00 174.94 176.45 2yt8 n ILE 52 N 3.43 0.00 -3.64 2.92 -5.35 -1.08 -4.36 119.36 111.28 2yt8 n ILE 52 Ca 0.02 -0.32 -0.10 0.00 -0.27 0.00 0.00 62.75 62.08 2yt8 n ILE 52 Cb 0.51 0.85 -0.07 0.00 -1.74 0.00 0.00 39.64 39.19 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 -1.11 0.69 0.02 6.28 2.12 -1.23 -2.38 118.70 123.10 2yt8 s GLU 53 Ca 0.00 0.98 0.01 0.00 0.36 0.00 0.00 54.97 56.32 2yt8 s GLU 53 Cb 0.00 0.26 -0.01 0.00 0.26 0.00 0.00 34.13 34.63 2yt8 s GLU 53 CO 0.00 -0.11 -0.05 0.96 -0.54 0.00 0.00 175.26 175.53 2yt8 s ILE 54 N 0.89 0.30 -0.80 -3.70 -5.25 -0.35 -0.03 121.20 112.26 2yt8 s ILE 54 Ca -0.04 -0.65 -0.10 0.00 -0.99 0.00 0.00 60.65 58.87 2yt8 s ILE 54 Cb -0.05 -0.35 0.10 0.00 2.95 0.00 0.00 42.46 45.11 2yt8 s ILE 54 CO -0.09 -0.23 0.25 0.59 -1.79 0.00 0.00 174.94 173.67 2yt8 n ASN 55 N 2.12 -1.26 -1.84 4.36 5.03 0.13 0.17 115.26 123.97 2yt8 n ASN 55 Ca -0.19 -0.28 -0.09 0.00 0.87 0.00 0.00 54.58 54.89 2yt8 n ASN 55 Cb 0.56 -1.17 0.03 0.00 -1.02 0.00 0.00 39.78 38.19 2yt8 n ASN 55 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2yt8 n GLY 56 N -0.71 0.28 2.86 7.41 0.00 -1.26 -4.98 105.19 108.79 2yt8 n GLY 56 Ca 0.05 -0.28 -0.16 0.00 0.00 0.00 0.00 46.02 45.63 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 -5.30 0.05 -0.19 1.61 -0.21 0.45 -5.11 119.66 110.97 2yt8 s GLN 57 Ca 0.18 0.55 -0.29 0.00 0.02 0.00 0.00 55.36 55.83 2yt8 s GLN 57 Cb -0.08 -0.24 -0.05 0.00 1.00 0.00 0.00 33.01 33.64 2yt8 s GLN 57 CO 0.30 -0.29 1.96 -1.54 -2.12 0.00 0.00 175.29 173.60 2yt8 s SER 58 N 2.15 5.94 -0.01 5.90 1.04 -1.26 -1.21 113.70 126.25 2yt8 s SER 58 Ca 0.01 1.88 0.02 0.00 0.48 0.00 0.00 55.95 58.35 2yt8 s SER 58 Cb -0.12 -2.52 0.06 0.00 0.10 0.00 0.00 66.02 63.54 2yt8 s SER 58 CO -0.06 -1.58 1.05 1.33 0.98 0.00 0.00 173.24 174.96 2yt8 n VAL 59 N 6.95 1.04 0.00 5.02 0.24 -1.00 -4.60 118.33 125.98 2yt8 n VAL 59 Ca 0.24 -1.05 0.23 0.00 -2.04 0.00 0.00 64.34 61.72 2yt8 n VAL 59 Cb 0.45 0.47 0.68 0.00 -1.47 0.00 0.00 33.84 33.96 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 0.33 0.28 0.00 3.34 3.04 -1.72 -2.66 116.25 118.87 2yt8 h VAL 60 Ca 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 66.70 65.63 2yt8 h VAL 60 Cb 0.56 0.48 -0.01 0.00 -2.01 0.00 0.00 31.29 30.31 2yt8 h VAL 60 CO 0.00 0.00 -1.23 0.00 -1.01 0.00 0.00 177.57 175.34 2yt8 n ALA 61 N -2.33 1.92 -1.25 3.17 0.00 -1.26 -5.01 120.51 115.74 2yt8 n ALA 61 Ca 0.12 -0.18 -0.44 0.00 0.00 0.00 0.00 53.44 52.94 2yt8 n ALA 61 Cb 0.87 0.36 -0.03 0.00 0.00 0.00 0.00 19.45 20.64 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 -2.51 1.61 -2.25 0.00 -1.04 -1.00 -4.85 114.28 104.24 2yt8 n THR 62 Ca -0.07 -0.40 -0.41 0.00 -2.04 0.00 0.00 64.05 61.13 2yt8 n THR 62 Cb 0.58 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 69.06 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 -0.81 4.46 0.19 -2.82 0.04 -1.26 -4.82 135.00 129.98 2yt8 s PRO 63 Ca 0.59 2.06 -0.25 0.00 0.04 0.00 0.00 61.00 63.44 2yt8 s PRO 63 Cb -0.86 -3.12 0.07 0.00 0.04 0.00 0.00 34.50 30.64 2yt8 s PRO 63 CO 0.50 -0.05 1.55 1.25 0.04 0.00 0.00 177.00 180.29 2yt8 h HIS 64 N 3.66 -1.51 -0.79 0.56 -0.00 -1.88 0.47 115.15 115.67 2yt8 h HIS 64 Ca -0.48 0.12 0.10 0.00 -0.00 0.00 0.00 60.37 60.11 2yt8 h HIS 64 Cb 1.22 0.79 -0.11 0.00 -0.00 0.00 0.00 27.41 29.31 2yt8 h HIS 64 CO 0.57 -0.39 -0.38 0.00 -0.00 0.00 0.00 177.93 177.73 2yt8 n ALA 65 N -3.34 -0.29 -0.07 5.26 0.00 -1.26 0.49 120.51 121.29 2yt8 n ALA 65 Ca 0.06 0.73 -0.10 0.00 0.00 0.00 0.00 53.44 54.12 2yt8 n ALA 65 Cb 0.33 -0.24 -0.03 0.00 0.00 0.00 0.00 19.45 19.51 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 0.36 -0.87 0.00 9.65 -1.32 -2.83 114.38 119.37 2yt8 h ARG 66 Ca 0.20 -0.06 0.23 0.00 -1.10 0.00 0.00 59.98 59.25 2yt8 h ARG 66 Cb 0.40 -0.06 -0.14 0.00 -1.39 0.00 0.00 29.97 28.78 2yt8 h ARG 66 CO -0.76 0.38 0.27 0.82 2.80 0.00 0.00 179.97 183.47 2yt8 h ILE 67 N 0.26 0.36 -0.63 1.20 2.04 0.11 0.26 117.51 121.12 2yt8 h ILE 67 Ca 0.08 -0.09 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 2yt8 h ILE 67 Cb 0.14 0.09 -0.03 0.00 -0.74 0.00 0.00 36.82 36.28 2yt8 h ILE 67 CO -0.01 0.05 0.31 0.40 0.00 0.00 0.00 178.15 178.90 2yt8 h ILE 68 N 0.25 1.22 -0.76 -0.67 1.08 -0.86 -1.17 117.51 116.60 2yt8 h ILE 68 Ca 0.54 -0.59 -0.01 0.00 -0.39 0.00 0.00 64.86 64.41 2yt8 h ILE 68 Cb 1.08 0.44 -0.04 0.00 -3.07 0.00 0.00 36.82 35.23 2yt8 h ILE 68 CO -0.62 0.25 0.42 -0.33 -0.69 0.00 0.00 178.15 177.18 2yt8 h GLU 69 N 0.87 1.04 0.18 2.37 3.07 -0.40 -1.76 114.58 119.94 2yt8 h GLU 69 Ca 0.22 -0.11 -0.01 0.00 -0.50 0.00 0.00 59.36 58.96 2yt8 h GLU 69 Cb 0.10 -0.21 0.00 0.00 -0.84 0.00 0.00 28.75 27.80 2yt8 h GLU 69 CO -0.03 0.76 -0.09 -0.07 -1.40 0.00 0.00 179.01 178.18 2yt8 h LEU 70 N 1.05 -0.20 -0.98 1.33 3.38 -0.81 -2.00 115.31 117.08 2yt8 h LEU 70 Ca 0.27 0.01 0.34 0.00 0.09 0.00 0.00 57.88 58.58 2yt8 h LEU 70 Cb 0.01 0.05 -0.16 0.00 0.09 0.00 0.00 40.66 40.65 2yt8 h LEU 70 CO -0.04 -0.06 0.43 -0.07 0.09 0.00 0.00 178.44 178.79 2yt8 h LEU 71 N -0.41 0.23 -0.09 1.67 3.38 -1.26 0.37 115.31 119.20 2yt8 h LEU 71 Ca -0.02 0.23 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 2yt8 h LEU 71 Cb 0.18 0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 2yt8 h LEU 71 CO 0.04 -0.27 0.02 0.74 0.09 0.00 0.00 178.44 179.05 2yt8 h THR 72 N 0.15 1.21 -0.62 0.22 2.02 -1.37 -2.87 112.91 111.65 2yt8 h THR 72 Ca 0.73 -0.64 0.08 0.00 0.77 0.00 0.00 66.41 67.35 2yt8 h THR 72 Cb 1.73 1.46 -0.04 0.00 -1.74 0.00 0.00 68.15 69.56 2yt8 h THR 72 CO -0.71 0.18 0.41 -0.33 0.37 0.00 0.00 175.52 175.44 2yt8 h GLU 73 N -0.07 0.52 -6.19 6.66 4.39 0.46 -3.41 114.58 116.94 2yt8 h GLU 73 Ca 0.03 -0.03 -0.56 0.00 0.34 0.00 0.00 59.36 59.13 2yt8 h GLU 73 Cb 0.27 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 28.80 2yt8 h GLU 73 CO 0.00 0.34 1.31 0.00 -1.16 0.00 0.00 179.01 179.51 2yt8 s ALA 74 N -5.49 3.14 0.32 3.43 0.00 -0.34 -4.98 121.76 117.84 2yt8 s ALA 74 Ca -0.08 0.87 0.07 0.00 0.00 0.00 0.00 51.96 52.82 2yt8 s ALA 74 Cb 0.19 -3.94 -0.03 0.00 0.00 0.00 0.00 23.12 19.34 2yt8 s ALA 74 CO 0.75 -2.18 0.27 0.71 0.00 0.00 0.00 175.76 175.31 2yt8 s TYR 75 N 6.25 2.93 0.00 0.00 2.02 -1.26 -4.90 117.35 122.39 2yt8 s TYR 75 Ca 0.89 -0.27 0.00 0.00 -0.37 0.00 0.00 57.07 57.32 2yt8 s TYR 75 Cb -0.34 -1.71 0.00 0.00 -0.40 0.00 0.00 41.96 39.51 2yt8 s TYR 75 CO 0.36 0.26 0.00 0.41 -1.57 0.00 0.00 175.55 175.01 2yt8 n GLY 76 N -1.32 1.66 3.68 0.71 0.00 0.24 -4.49 105.19 105.67 2yt8 n GLY 76 Ca -0.03 0.45 -0.42 0.00 0.00 0.00 0.00 46.02 46.02 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 4.30 -0.28 1.61 2.12 -1.26 -1.37 118.70 123.82 2yt8 s GLU 77 Ca 0.00 1.82 0.01 0.00 0.36 0.00 0.00 54.97 57.16 2yt8 s GLU 77 Cb 0.00 -3.61 0.08 0.00 0.26 0.00 0.00 34.13 30.86 2yt8 s GLU 77 CO 0.00 -0.56 0.01 0.08 -0.54 0.00 0.00 175.26 174.26 2yt8 s VAL 78 N 2.55 1.56 -0.47 3.70 1.01 -0.82 -4.98 120.40 122.96 2yt8 s VAL 78 Ca 0.60 -1.56 -0.25 0.00 0.00 0.00 0.00 61.98 60.77 2yt8 s VAL 78 Cb -0.27 -2.00 0.03 0.00 0.00 0.00 0.00 36.38 34.14 2yt8 s VAL 78 CO 0.23 -0.38 0.89 -1.00 0.00 0.00 0.00 175.10 174.85 2yt8 s HIS 79 N 1.32 2.92 -0.27 5.22 3.76 -1.26 -1.26 115.29 125.72 2yt8 s HIS 79 Ca 0.03 0.27 -0.04 0.00 -0.15 0.00 0.00 55.06 55.17 2yt8 s HIS 79 Cb -0.18 -3.91 0.02 0.00 1.11 0.00 0.00 32.58 29.62 2yt8 s HIS 79 CO -0.11 -1.11 -0.00 0.42 -0.85 0.00 0.00 174.74 173.09 2yt8 s ILE 80 N 3.67 3.32 -0.52 0.60 1.01 0.44 0.19 121.20 129.91 2yt8 s ILE 80 Ca 0.34 -0.91 -0.22 0.00 0.00 0.00 0.00 60.65 59.86 2yt8 s ILE 80 Cb -0.11 -2.71 0.04 0.00 0.01 0.00 0.00 42.46 39.69 2yt8 s ILE 80 CO 0.25 0.13 0.80 -0.75 0.00 0.00 0.00 174.94 175.37 2yt8 s LYS 81 N 1.39 3.26 0.06 2.79 2.20 0.95 -1.67 119.74 128.73 2yt8 s LYS 81 Ca 0.01 -0.47 -0.07 0.00 -0.36 0.00 0.00 55.97 55.08 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 -0.01 -1.33 0.33 0.95 -0.36 0.00 0.00 175.35 174.92 2yt8 s THR 82 N 3.37 5.21 -0.09 3.43 -4.23 0.12 -2.62 115.64 120.82 2yt8 s THR 82 Ca 0.25 0.21 -0.07 0.00 -1.18 0.00 0.00 61.69 60.89 2yt8 s THR 82 Cb -0.15 -3.61 0.03 0.00 1.34 0.00 0.00 72.50 70.12 2yt8 s THR 82 CO 0.17 0.26 0.24 -0.32 -0.54 0.00 0.00 174.62 174.43 2yt8 s MET 83 N -2.03 0.25 -0.05 3.99 0.00 0.19 -2.57 119.30 119.09 2yt8 s MET 83 Ca 0.32 0.40 -0.30 0.00 0.00 0.00 0.00 55.69 56.12 2yt8 s MET 83 Cb -0.13 0.04 -0.05 0.00 0.00 0.00 0.00 34.83 34.69 2yt8 s MET 83 CO 0.19 -0.08 1.49 -1.25 0.00 0.00 0.00 175.02 175.37 2yt8 s PRO 84 N 0.55 4.23 0.36 4.11 0.04 -1.26 0.64 135.00 143.66 2yt8 s PRO 84 Ca -0.03 2.02 0.16 0.00 0.04 0.00 0.00 61.00 63.19 2yt8 s PRO 84 Cb -0.05 -3.78 1.11 0.00 0.04 0.00 0.00 34.50 31.82 2yt8 s PRO 84 CO -0.03 -0.72 1.68 0.00 0.04 0.00 0.00 177.00 177.97 2yt8 h ALA 85 N 8.62 2.07 0.04 8.56 0.00 -1.91 -1.74 119.26 134.90 2yt8 h ALA 85 Ca -0.36 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 2yt8 h ALA 85 Cb 1.16 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 2yt8 h ALA 85 CO 0.94 -0.64 -0.06 0.00 0.00 0.00 0.00 179.25 179.49 2yt8 h ALA 86 N 1.78 -0.73 0.13 0.00 0.00 -1.94 0.33 119.26 118.83 2yt8 h ALA 86 Ca 0.72 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.61 2yt8 h ALA 86 Cb 1.72 0.37 -0.02 0.00 0.00 0.00 0.00 17.79 19.86 2yt8 h ALA 86 CO -0.53 -0.74 -0.32 1.15 0.00 0.00 0.00 179.25 178.81 2yt8 h THR 87 N -0.11 0.00 -0.64 0.00 2.02 -1.78 -0.84 112.91 111.56 2yt8 h THR 87 Ca -0.01 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.26 2yt8 h THR 87 Cb 0.10 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.40 2yt8 h THR 87 CO -0.02 0.00 -0.48 0.22 0.37 0.00 0.00 175.52 175.61 2yt8 h TYR 88 N -0.50 -1.46 -0.70 3.16 3.20 -1.39 0.15 116.97 119.43 2yt8 h TYR 88 Ca -0.01 0.09 0.15 0.00 3.14 0.00 0.00 58.73 62.10 2yt8 h TYR 88 Cb 0.48 0.73 -0.11 0.00 1.54 0.00 0.00 36.73 39.36 2yt8 h TYR 88 CO -0.34 -0.43 0.08 0.00 -1.64 0.00 0.00 178.16 175.83 2yt8 h ARG 89 N -0.21 0.17 -0.80 1.82 2.47 -0.12 0.25 114.38 117.96 2yt8 h ARG 89 Ca 0.17 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.88 2yt8 h ARG 89 Cb 0.55 -0.04 -0.04 0.00 -1.65 0.00 0.00 29.97 28.79 2yt8 h ARG 89 CO -0.73 0.11 0.50 -0.07 0.56 0.00 0.00 179.97 180.34 2yt8 h LEU 90 N 0.17 0.94 -0.64 3.04 3.38 0.69 -0.26 115.31 122.63 2yt8 h LEU 90 Ca 0.39 -0.04 -0.14 0.00 0.09 0.00 0.00 57.88 58.17 2yt8 h LEU 90 Cb 0.66 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 2yt8 h LEU 90 CO -0.56 0.71 -0.44 -0.07 0.09 0.00 0.00 178.44 178.17 2yt8 h LEU 91 N 1.10 0.59 -2.50 1.67 3.38 0.12 -2.78 115.31 116.90 2yt8 h LEU 91 Ca 0.29 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2yt8 h LEU 91 Cb -0.08 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.50 2yt8 h LEU 91 CO -0.06 0.95 0.00 0.35 0.09 0.00 0.00 178.44 179.78 2yt8 n THR 92 N -4.01 1.54 -0.29 0.22 -2.24 0.33 -4.97 114.28 104.86 2yt8 n THR 92 Ca -0.02 -0.88 -0.13 0.00 -2.27 0.00 0.00 64.05 60.75 2yt8 n THR 92 Cb 0.54 -0.14 0.13 0.00 -2.10 0.00 0.00 70.33 68.75 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 0.69 -2.44 0.00 3.38 0.00 -0.17 -5.01 105.19 101.64 2yt8 n GLY 93 Ca 0.18 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.41 2yt8 n GLY 93 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26