#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 4.74 -0.30 1.61 0.01 -1.26 -5.05 113.70 113.45 2yt8 s SER 2 Ca 0.00 -0.60 -0.16 0.00 1.31 0.00 0.00 55.95 56.49 2yt8 s SER 2 Cb 0.00 -1.80 0.17 0.00 0.21 0.00 0.00 66.02 64.60 2yt8 s SER 2 CO 0.00 -0.12 1.07 -0.55 0.41 0.00 0.00 173.24 174.05 2yt8 s SER 3 N 1.47 -0.40 1.07 2.44 0.15 -1.26 -5.17 113.70 112.00 2yt8 s SER 3 Ca 0.03 0.59 -0.04 0.00 0.70 0.00 0.00 55.95 57.23 2yt8 s SER 3 Cb -0.16 1.31 0.06 0.00 -1.71 0.00 0.00 66.02 65.52 2yt8 s SER 3 CO -0.00 -0.09 0.15 0.61 1.20 0.00 0.00 173.24 175.11 2yt8 n GLY 4 N 4.13 -3.58 3.80 9.45 0.00 -1.26 -5.04 105.19 112.69 2yt8 n GLY 4 Ca -0.14 -1.27 -0.22 0.00 0.00 0.00 0.00 46.02 44.39 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 -2.15 5.29 -0.04 1.61 0.15 -1.26 -5.14 113.70 112.16 2yt8 s SER 5 Ca 0.11 -0.39 -0.07 0.00 0.70 0.00 0.00 55.95 56.29 2yt8 s SER 5 Cb -0.02 -1.19 0.01 0.00 -1.71 0.00 0.00 66.02 63.12 2yt8 s SER 5 CO 0.09 -0.13 0.18 -0.55 1.20 0.00 0.00 173.24 174.03 2yt8 s SER 6 N -3.86 -0.12 0.00 5.45 0.15 -1.26 -5.00 113.70 109.06 2yt8 s SER 6 Ca 0.35 0.16 0.00 0.00 0.70 0.00 0.00 55.95 57.16 2yt8 s SER 6 Cb -0.07 0.32 0.00 0.00 -1.71 0.00 0.00 66.02 64.56 2yt8 s SER 6 CO 0.25 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 175.10 2yt8 n GLY 7 N 2.33 1.47 3.72 9.45 0.00 -1.26 -5.10 105.19 115.80 2yt8 n GLY 7 Ca -0.17 -0.25 -0.41 0.00 0.00 0.00 0.00 46.02 45.19 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 4.76 -0.34 1.61 1.01 -1.26 -5.01 120.40 121.17 2yt8 s VAL 8 Ca 0.00 1.96 -0.29 0.00 0.00 0.00 0.00 61.98 63.65 2yt8 s VAL 8 Cb 0.00 -4.27 0.02 0.00 0.00 0.00 0.00 36.38 32.12 2yt8 s VAL 8 CO 0.00 0.24 1.10 -0.89 0.00 0.00 0.00 175.10 175.55 2yt8 s THR 9 N 0.57 4.43 -0.05 3.92 2.01 -0.98 -4.99 115.64 120.56 2yt8 s THR 9 Ca 0.48 1.63 0.00 0.00 0.31 0.00 0.00 61.69 64.10 2yt8 s THR 9 Cb -0.21 -4.42 -0.03 0.00 0.01 0.00 0.00 72.50 67.84 2yt8 s THR 9 CO 0.27 -0.56 -0.02 -0.89 -0.69 0.00 0.00 174.62 172.73 2yt8 s THR 10 N 3.83 4.07 -0.01 -0.82 2.01 -1.26 -0.48 115.64 122.98 2yt8 s THR 10 Ca 0.47 -0.43 -0.02 0.00 0.31 0.00 0.00 61.69 62.01 2yt8 s THR 10 Cb -0.12 -2.73 -0.00 0.00 0.01 0.00 0.00 72.50 69.66 2yt8 s THR 10 CO 0.18 0.53 0.05 0.00 -0.69 0.00 0.00 174.62 174.70 2yt8 s ALA 11 N -0.92 -0.12 -0.13 7.40 0.00 -0.53 -4.98 121.76 122.48 2yt8 s ALA 11 Ca 0.15 -0.03 0.01 0.00 0.00 0.00 0.00 51.96 52.09 2yt8 s ALA 11 Cb -0.11 -0.02 -0.01 0.00 0.00 0.00 0.00 23.12 22.98 2yt8 s ALA 11 CO 0.04 -0.08 -0.17 0.42 0.00 0.00 0.00 175.76 175.97 2yt8 s ILE 12 N -0.47 2.59 0.14 0.00 -1.09 -1.26 -0.98 121.20 120.13 2yt8 s ILE 12 Ca -0.05 -0.82 0.04 0.00 -2.23 0.00 0.00 60.65 57.59 2yt8 s ILE 12 Cb -0.03 -2.06 -0.04 0.00 -1.58 0.00 0.00 42.46 38.75 2yt8 s ILE 12 CO 0.00 0.53 0.14 -0.63 -1.23 0.00 0.00 174.94 173.76 2yt8 s ILE 13 N 0.49 4.62 -0.38 2.92 -1.09 -0.48 -4.26 121.20 123.02 2yt8 s ILE 13 Ca -0.12 -0.94 -0.02 0.00 -2.23 0.00 0.00 60.65 57.34 2yt8 s ILE 13 Cb -0.16 -3.32 0.09 0.00 -1.58 0.00 0.00 42.46 37.49 2yt8 s ILE 13 CO 0.05 -0.04 0.14 -1.00 -1.23 0.00 0.00 174.94 172.86 2yt8 s HIS 14 N -1.65 3.52 -0.89 3.97 3.76 -1.26 -2.06 115.29 120.68 2yt8 s HIS 14 Ca 0.31 -2.32 -0.02 0.00 -0.15 0.00 0.00 55.06 52.88 2yt8 s HIS 14 Cb -0.11 -2.93 0.22 0.00 1.11 0.00 0.00 32.58 30.87 2yt8 s HIS 14 CO 0.24 -0.93 0.78 1.03 -0.85 0.00 0.00 174.74 175.01 2yt8 s ARG 15 N 1.15 3.28 0.04 1.40 0.52 0.13 -4.87 118.95 120.60 2yt8 s ARG 15 Ca 0.05 -3.22 0.16 0.00 -0.52 0.00 0.00 55.73 52.20 2yt8 s ARG 15 Cb -0.22 -3.98 0.66 0.00 0.52 0.00 0.00 34.95 31.94 2yt8 s ARG 15 CO -0.04 -1.26 1.49 -0.35 0.02 0.00 0.00 175.30 175.17 2yt8 n PRO 16 N 2.45 0.03 -3.66 3.54 -0.04 -1.26 0.93 135.00 136.99 2yt8 n PRO 16 Ca 0.21 0.28 -0.14 0.00 -0.04 0.00 0.00 63.50 63.80 2yt8 n PRO 16 Cb 0.37 -1.56 -0.08 0.00 -0.04 0.00 0.00 33.50 32.20 2yt8 n PRO 16 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2yt8 s HIS 17 N -3.05 -0.59 -0.09 0.54 2.46 -1.26 -4.93 115.29 108.37 2yt8 s HIS 17 Ca 0.06 1.35 -0.10 0.00 0.47 0.00 0.00 55.06 56.84 2yt8 s HIS 17 Cb 0.09 0.24 -0.08 0.00 -0.13 0.00 0.00 32.58 32.70 2yt8 s HIS 17 CO 0.28 -0.36 0.36 0.00 -2.47 0.00 0.00 174.74 172.54 2yt8 h ALA 18 N 4.73 -0.11 -1.30 1.58 0.00 -1.98 -3.29 119.26 118.89 2yt8 h ALA 18 Ca -0.28 -0.14 0.40 0.00 0.00 0.00 0.00 54.91 54.89 2yt8 h ALA 18 Cb 1.17 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.92 2yt8 h ALA 18 CO 0.21 -0.12 0.90 0.54 0.00 0.00 0.00 179.25 180.78 2yt8 n ARG 19 N -4.83 -0.01 -2.82 0.00 5.12 -1.26 -4.20 116.66 108.67 2yt8 n ARG 19 Ca -0.04 0.86 -0.38 0.00 -1.93 0.00 0.00 57.85 56.36 2yt8 n ARG 19 Cb 0.16 -1.85 -0.06 0.00 -1.16 0.00 0.00 32.46 29.54 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 -4.55 4.63 0.59 5.56 0.41 -1.24 -5.06 118.70 119.04 2yt8 s GLU 20 Ca -0.04 1.32 -0.10 0.00 -0.41 0.00 0.00 54.97 55.73 2yt8 s GLU 20 Cb 0.21 -2.99 0.15 0.00 -1.78 0.00 0.00 34.13 29.72 2yt8 s GLU 20 CO 0.64 0.39 0.58 0.00 -0.49 0.00 0.00 175.26 176.38 2yt8 n GLN 21 N 0.94 -1.80 -0.08 1.61 10.64 -1.26 -4.96 117.38 122.47 2yt8 n GLN 21 Ca -0.00 -0.91 -0.16 0.00 -1.83 0.00 0.00 57.00 54.09 2yt8 n GLN 21 Cb 0.49 -0.80 -0.07 0.00 -0.86 0.00 0.00 30.24 29.01 2yt8 n GLN 21 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 2yt8 n LEU 22 N 0.00 1.85 0.00 2.61 4.77 -1.26 -4.96 117.00 120.01 2yt8 n LEU 22 Ca 0.08 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 2yt8 n LEU 22 Cb 0.30 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 2yt8 n LEU 22 CO 0.21 0.51 0.00 0.61 -1.33 0.00 0.00 177.39 177.38 2yt8 n GLY 23 N 2.20 3.31 3.82 -0.72 0.00 -1.26 -3.43 105.19 109.10 2yt8 n GLY 23 Ca -0.32 -1.05 -0.36 0.00 0.00 0.00 0.00 46.02 44.28 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 3.64 -0.17 1.61 -0.71 -1.26 -0.11 117.98 120.97 2yt8 s PHE 24 Ca 0.00 1.37 -0.01 0.00 -1.04 0.00 0.00 56.93 57.24 2yt8 s PHE 24 Cb 0.00 -2.60 -0.01 0.00 -1.21 0.00 0.00 43.02 39.20 2yt8 s PHE 24 CO 0.00 0.33 -0.10 0.00 -1.34 0.00 0.00 175.22 174.11 2yt8 s VAL 26 N 0.85 5.20 -0.18 0.00 1.01 -1.26 -1.04 120.40 124.98 2yt8 s VAL 26 Ca -0.03 0.10 -0.00 0.00 0.00 0.00 0.00 61.98 62.05 2yt8 s VAL 26 Cb -0.15 -3.29 0.05 0.00 0.00 0.00 0.00 36.38 32.99 2yt8 s VAL 26 CO 0.00 0.55 -0.05 -1.61 0.00 0.00 0.00 175.10 174.00 2yt8 s GLU 27 N -0.46 1.45 -1.65 2.72 2.02 0.82 -4.75 118.70 118.85 2yt8 s GLU 27 Ca 0.11 -0.63 0.00 0.00 0.02 0.00 0.00 54.97 54.48 2yt8 s GLU 27 Cb -0.12 -2.16 0.00 0.00 0.10 0.00 0.00 34.13 31.95 2yt8 s GLU 27 CO 0.02 -0.48 0.00 -0.25 0.02 0.00 0.00 175.26 174.57 2yt8 n ASP 28 N 4.84 -5.29 0.00 -0.19 8.00 -1.26 -0.76 116.55 121.89 2yt8 n ASP 28 Ca -0.12 0.11 0.00 0.00 0.71 0.00 0.00 54.79 55.49 2yt8 n ASP 28 Cb 0.47 -4.47 0.00 0.00 -0.02 0.00 0.00 41.12 37.10 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 -0.86 0.64 2.67 0.44 0.00 -1.26 -4.85 105.19 101.96 2yt8 n GLY 29 Ca -0.21 -0.52 -0.20 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.11 0.33 -0.61 1.01 0.06 -0.43 121.20 119.45 2yt8 s ILE 30 Ca 0.00 0.38 -0.29 0.00 0.00 0.00 0.00 60.65 60.74 2yt8 s ILE 30 Cb 0.00 -0.19 -0.12 0.00 0.01 0.00 0.00 42.46 42.17 2yt8 s ILE 30 CO 0.00 0.14 1.53 -0.38 0.00 0.00 0.00 174.94 176.23 2yt8 n ILE 31 N 5.30 1.47 0.00 2.92 5.41 -1.09 -0.12 119.36 133.24 2yt8 n ILE 31 Ca -0.03 -0.37 -0.02 0.00 1.00 0.00 0.00 62.75 63.32 2yt8 n ILE 31 Cb 0.50 -1.93 -0.01 0.00 -0.71 0.00 0.00 39.64 37.49 2yt8 n ILE 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2yt8 s SER 33 N -5.68 3.97 -0.06 0.00 0.15 -1.25 -4.52 113.70 106.31 2yt8 s SER 33 Ca -0.08 -0.72 0.03 0.00 0.70 0.00 0.00 55.95 55.88 2yt8 s SER 33 Cb 0.01 -0.55 0.01 0.00 -1.71 0.00 0.00 66.02 63.78 2yt8 s SER 33 CO 0.12 0.09 -0.13 -0.22 1.20 0.00 0.00 173.24 174.30 2yt8 s LEU 34 N -2.95 1.73 -0.30 3.45 0.20 -1.26 -1.17 118.68 118.38 2yt8 s LEU 34 Ca 0.25 -0.30 -0.29 0.00 0.69 0.00 0.00 54.13 54.48 2yt8 s LEU 34 Cb -0.08 -0.83 -0.02 0.00 -0.43 0.00 0.00 46.19 44.83 2yt8 s LEU 34 CO 0.14 0.07 1.64 -0.22 -0.29 0.00 0.00 176.35 177.69 2yt8 s LEU 35 N 0.45 3.69 0.01 -0.68 2.96 0.85 -4.94 118.68 121.02 2yt8 s LEU 35 Ca -0.11 1.35 -0.30 0.00 -0.22 0.00 0.00 54.13 54.86 2yt8 s LEU 35 Cb -0.14 -3.53 -0.07 0.00 0.50 0.00 0.00 46.19 42.95 2yt8 s LEU 35 CO 0.03 -1.45 1.59 -0.60 -1.32 0.00 0.00 176.35 174.59 2yt8 s ARG 36 N 5.08 4.21 0.00 1.98 6.06 -1.26 -2.90 118.95 132.12 2yt8 s ARG 36 Ca 0.73 2.19 0.00 0.00 -2.50 0.00 0.00 55.73 56.15 2yt8 s ARG 36 Cb -0.22 -3.72 0.00 0.00 0.06 0.00 0.00 34.95 31.08 2yt8 s ARG 36 CO 0.31 -0.73 0.00 0.41 -2.50 0.00 0.00 175.30 172.79 2yt8 n GLY 37 N 3.95 0.93 0.00 8.12 0.00 -1.26 -5.08 105.19 111.85 2yt8 n GLY 37 Ca 0.16 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.50 5.20 0.13 -0.02 0.00 -1.14 -5.07 105.19 103.79 2yt8 n GLY 38 Ca 0.00 -1.73 -0.20 0.00 0.00 0.00 0.00 46.02 44.09 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 0.69 0.06 -0.61 2.04 -1.85 -3.35 117.51 114.48 2yt8 h ILE 39 Ca 0.00 -2.40 0.01 0.00 1.00 0.00 0.00 64.86 63.47 2yt8 h ILE 39 Cb 0.00 2.53 -0.03 0.00 -0.74 0.00 0.00 36.82 38.58 2yt8 h ILE 39 CO 0.00 0.86 -0.34 0.00 0.00 0.00 0.00 178.15 178.67 2yt8 h ALA 40 N 0.18 -0.83 -1.02 1.87 0.00 -1.88 0.27 119.26 117.85 2yt8 h ALA 40 Ca -0.40 -0.07 0.28 0.00 0.00 0.00 0.00 54.91 54.73 2yt8 h ALA 40 Cb 2.04 0.75 -0.13 0.00 0.00 0.00 0.00 17.79 20.45 2yt8 h ALA 40 CO 0.10 -0.92 0.61 1.49 0.00 0.00 0.00 179.25 180.53 2yt8 h GLU 41 N -0.47 0.44 -0.32 0.00 4.57 -1.81 0.30 114.58 117.28 2yt8 h GLU 41 Ca -0.00 -0.03 -0.08 0.00 -1.18 0.00 0.00 59.36 58.07 2yt8 h GLU 41 Cb 0.48 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.96 2yt8 h GLU 41 CO -0.20 0.29 -0.12 0.00 -1.18 0.00 0.00 179.01 177.80 2yt8 h ARG 42 N 0.45 0.65 -0.47 1.92 3.08 -1.40 -3.20 114.38 115.41 2yt8 h ARG 42 Ca 0.68 -0.27 -0.06 0.00 0.07 0.00 0.00 59.98 60.39 2yt8 h ARG 42 Cb 1.48 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 31.48 2yt8 h ARG 42 CO -0.50 0.86 0.05 0.78 -1.07 0.00 0.00 179.97 180.09 2yt8 h GLY 43 N 0.42 0.86 0.00 0.04 0.00 0.29 -3.47 103.07 101.21 2yt8 h GLY 43 Ca 0.08 -0.59 0.00 0.00 0.00 0.00 0.00 47.33 46.82 2yt8 h GLY 43 CO 0.04 0.54 0.00 0.61 0.00 0.00 0.00 176.54 177.74 2yt8 n GLY 44 N -0.48 1.40 3.77 4.60 0.00 0.30 -4.02 105.19 110.76 2yt8 n GLY 44 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.40 4.39 -0.04 -0.61 -1.09 -1.02 -4.83 121.20 116.60 2yt8 s ILE 45 Ca 0.00 1.77 0.00 0.00 -2.23 0.00 0.00 60.65 60.19 2yt8 s ILE 45 Cb 0.00 -4.17 0.03 0.00 -1.58 0.00 0.00 42.46 36.73 2yt8 s ILE 45 CO 0.00 0.49 -0.01 -0.13 -1.23 0.00 0.00 174.94 174.06 2yt8 s ARG 46 N -0.93 0.47 1.22 2.79 1.81 -1.26 -4.58 118.95 118.48 2yt8 s ARG 46 Ca 0.37 0.04 -0.14 0.00 -1.72 0.00 0.00 55.73 54.29 2yt8 s ARG 46 Cb -0.23 -0.65 0.30 0.00 -0.45 0.00 0.00 34.95 33.92 2yt8 s ARG 46 CO 0.27 -0.15 0.95 1.33 -0.68 0.00 0.00 175.30 177.02 2yt8 n VAL 47 N 4.30 0.00 0.00 3.52 0.24 -1.26 -3.34 118.33 121.79 2yt8 n VAL 47 Ca -0.22 -0.47 0.00 0.00 -2.04 0.00 0.00 64.34 61.60 2yt8 n VAL 47 Cb 0.50 -0.98 0.00 0.00 -1.47 0.00 0.00 33.84 31.89 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 1.17 2.34 3.77 7.63 0.00 -0.38 -4.98 105.19 114.73 2yt8 n GLY 48 Ca 0.02 -0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.37 3.78 0.20 1.61 3.76 -1.21 -4.63 115.29 118.43 2yt8 s HIS 49 Ca 0.00 1.82 -0.01 0.00 -0.15 0.00 0.00 55.06 56.72 2yt8 s HIS 49 Cb 0.00 -2.99 -0.04 0.00 1.11 0.00 0.00 32.58 30.65 2yt8 s HIS 49 CO 0.00 0.20 0.40 0.50 -0.85 0.00 0.00 174.74 174.99 2yt8 s ARG 50 N -1.66 3.54 -0.03 1.40 3.52 0.19 -2.67 118.95 123.24 2yt8 s ARG 50 Ca 0.46 -0.29 -0.18 0.00 -0.13 0.00 0.00 55.73 55.59 2yt8 s ARG 50 Cb -0.23 -2.82 -0.05 0.00 -1.56 0.00 0.00 34.95 30.28 2yt8 s ARG 50 CO 0.29 0.39 0.51 0.42 -0.81 0.00 0.00 175.30 176.10 2yt8 s ILE 51 N -1.87 5.01 0.00 4.11 -1.09 0.43 0.22 121.20 128.01 2yt8 s ILE 51 Ca 0.39 1.06 0.00 0.00 -2.23 0.00 0.00 60.65 59.87 2yt8 s ILE 51 Cb -0.11 -3.84 0.00 0.00 -1.58 0.00 0.00 42.46 36.93 2yt8 s ILE 51 CO 0.29 0.44 0.00 2.30 -1.23 0.00 0.00 174.94 176.74 2yt8 n ILE 52 N 2.72 0.00 -3.59 2.92 -5.35 -0.95 -4.42 119.36 110.69 2yt8 n ILE 52 Ca -0.09 0.00 -0.14 0.00 -0.27 0.00 0.00 62.75 62.25 2yt8 n ILE 52 Cb 0.51 0.41 -0.06 0.00 -1.74 0.00 0.00 39.64 38.77 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 -1.77 0.99 -0.14 6.28 2.12 -1.22 -2.79 118.70 122.17 2yt8 s GLU 53 Ca 0.00 -0.15 -0.10 0.00 0.36 0.00 0.00 54.97 55.07 2yt8 s GLU 53 Cb 0.00 0.45 0.04 0.00 0.26 0.00 0.00 34.13 34.89 2yt8 s GLU 53 CO 0.00 -0.34 0.36 0.96 -0.54 0.00 0.00 175.26 175.70 2yt8 s ILE 54 N -2.09 -0.01 -0.58 -3.70 -5.25 0.65 -1.27 121.20 108.93 2yt8 s ILE 54 Ca -0.07 0.05 -0.07 0.00 -0.99 0.00 0.00 60.65 59.57 2yt8 s ILE 54 Cb -0.01 -0.52 0.07 0.00 2.95 0.00 0.00 42.46 44.95 2yt8 s ILE 54 CO 0.01 0.02 0.19 0.59 -1.79 0.00 0.00 174.94 173.96 2yt8 n ASN 55 N 3.56 -1.11 -0.42 4.36 3.02 0.12 0.22 115.26 125.00 2yt8 n ASN 55 Ca -0.18 -0.11 0.00 0.00 -0.03 0.00 0.00 54.58 54.25 2yt8 n ASN 55 Cb 0.56 -1.04 0.00 0.00 -0.61 0.00 0.00 39.78 38.69 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 -0.63 0.88 2.73 7.41 0.00 -1.26 -4.99 105.19 109.33 2yt8 n GLY 56 Ca 0.04 -0.70 -0.18 0.00 0.00 0.00 0.00 46.02 45.17 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 -4.80 -0.04 -0.25 1.61 -1.52 0.59 -5.11 119.66 110.14 2yt8 s GLN 57 Ca 0.00 0.37 -0.29 0.00 -1.95 0.00 0.00 55.36 53.49 2yt8 s GLN 57 Cb 0.00 -0.40 -0.02 0.00 -0.22 0.00 0.00 33.01 32.38 2yt8 s GLN 57 CO 0.00 -0.28 1.51 -1.54 -0.25 0.00 0.00 175.29 174.73 2yt8 s SER 58 N 1.89 6.47 0.00 5.90 1.04 -1.26 -0.26 113.70 127.49 2yt8 s SER 58 Ca 0.01 1.47 0.11 0.00 0.48 0.00 0.00 55.95 58.02 2yt8 s SER 58 Cb -0.12 -2.53 0.25 0.00 0.10 0.00 0.00 66.02 63.71 2yt8 s SER 58 CO -0.04 -1.20 1.14 1.33 0.98 0.00 0.00 173.24 175.46 2yt8 n VAL 59 N 6.35 0.69 0.33 5.02 0.24 -1.12 -4.46 118.33 125.39 2yt8 n VAL 59 Ca 0.17 -0.84 0.21 0.00 -2.04 0.00 0.00 64.34 61.84 2yt8 n VAL 59 Cb 0.46 0.73 1.11 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 2.18 0.07 0.00 3.34 3.04 -1.77 -2.46 116.25 120.65 2yt8 h VAL 60 Ca 0.00 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.69 2yt8 h VAL 60 Cb 0.66 0.93 -0.00 0.00 -2.01 0.00 0.00 31.29 30.87 2yt8 h VAL 60 CO 0.00 0.00 -1.10 0.00 -1.01 0.00 0.00 177.57 175.46 2yt8 n ALA 61 N -2.08 2.06 -1.80 3.17 0.00 -1.26 -5.03 120.51 115.57 2yt8 n ALA 61 Ca -0.03 -0.06 -0.41 0.00 0.00 0.00 0.00 53.44 52.95 2yt8 n ALA 61 Cb 0.14 -0.03 -0.03 0.00 0.00 0.00 0.00 19.45 19.54 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 -2.13 2.92 0.30 0.00 2.01 -0.93 -4.98 115.64 112.83 2yt8 s THR 62 Ca -0.01 0.90 -0.29 0.00 0.31 0.00 0.00 61.69 62.60 2yt8 s THR 62 Cb 0.01 -3.57 -0.10 0.00 0.01 0.00 0.00 72.50 68.85 2yt8 s THR 62 CO 0.08 0.20 1.23 -2.16 -0.69 0.00 0.00 174.62 173.29 2yt8 s PRO 63 N -1.49 4.46 0.23 4.92 0.04 -1.26 -4.85 135.00 137.05 2yt8 s PRO 63 Ca 0.49 2.06 -0.15 0.00 0.04 0.00 0.00 61.00 63.44 2yt8 s PRO 63 Cb -0.38 -3.12 0.27 0.00 0.04 0.00 0.00 34.50 31.31 2yt8 s PRO 63 CO 0.49 -0.05 1.57 1.25 0.04 0.00 0.00 177.00 180.31 2yt8 h HIS 64 N 3.66 -0.78 -0.77 0.56 -0.00 -1.93 -0.05 115.15 115.84 2yt8 h HIS 64 Ca -0.48 0.09 0.11 0.00 -0.00 0.00 0.00 60.37 60.09 2yt8 h HIS 64 Cb 1.22 0.47 -0.12 0.00 -0.00 0.00 0.00 27.41 28.98 2yt8 h HIS 64 CO 0.57 -0.38 -0.32 0.00 -0.00 0.00 0.00 177.93 177.80 2yt8 n ALA 65 N -3.36 -0.15 -0.12 5.26 0.00 -1.26 0.88 120.51 121.76 2yt8 n ALA 65 Ca 0.10 0.75 -0.12 0.00 0.00 0.00 0.00 53.44 54.17 2yt8 n ALA 65 Cb 0.40 -0.31 -0.03 0.00 0.00 0.00 0.00 19.45 19.52 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 0.70 -1.12 0.00 1.12 -1.41 -2.98 114.38 110.69 2yt8 h ARG 66 Ca 0.25 -0.29 0.32 0.00 -1.11 0.00 0.00 59.98 59.15 2yt8 h ARG 66 Cb 0.44 -0.03 -0.10 0.00 -0.01 0.00 0.00 29.97 30.27 2yt8 h ARG 66 CO -0.76 0.88 0.73 0.82 -3.11 0.00 0.00 179.97 178.54 2yt8 h ILE 67 N 0.49 0.41 -0.49 1.20 2.04 0.12 0.50 117.51 121.78 2yt8 h ILE 67 Ca 0.08 -0.10 -0.12 0.00 1.00 0.00 0.00 64.86 65.72 2yt8 h ILE 67 Cb 0.65 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 2yt8 h ILE 67 CO 0.04 0.05 -0.18 0.40 0.00 0.00 0.00 178.15 178.46 2yt8 h ILE 68 N 0.28 1.27 -0.25 -0.67 1.08 -1.03 -1.85 117.51 116.33 2yt8 h ILE 68 Ca 0.65 -1.34 -0.12 0.00 -0.39 0.00 0.00 64.86 63.66 2yt8 h ILE 68 Cb 1.85 1.08 -0.01 0.00 -3.07 0.00 0.00 36.82 36.67 2yt8 h ILE 68 CO -0.30 0.46 -0.36 -0.33 -0.69 0.00 0.00 178.15 176.94 2yt8 h GLU 69 N 0.85 0.56 0.13 2.37 3.07 -0.11 -2.57 114.58 118.88 2yt8 h GLU 69 Ca 0.12 -0.26 -0.01 0.00 -0.50 0.00 0.00 59.36 58.71 2yt8 h GLU 69 Cb 0.75 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.65 2yt8 h GLU 69 CO 0.06 0.84 -0.06 -0.07 -1.40 0.00 0.00 179.01 178.37 2yt8 h LEU 70 N 0.47 -0.15 -0.89 1.33 3.38 -1.04 0.53 115.31 118.94 2yt8 h LEU 70 Ca 0.05 0.01 0.23 0.00 0.09 0.00 0.00 57.88 58.25 2yt8 h LEU 70 Cb 0.84 0.04 -0.16 0.00 0.09 0.00 0.00 40.66 41.47 2yt8 h LEU 70 CO 0.07 -0.05 0.05 -0.07 0.09 0.00 0.00 178.44 178.52 2yt8 h LEU 71 N -0.28 -0.37 -0.77 1.67 3.38 -1.45 0.72 115.31 118.20 2yt8 h LEU 71 Ca -0.02 0.24 -0.12 0.00 0.09 0.00 0.00 57.88 58.07 2yt8 h LEU 71 Cb 0.13 0.41 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 2yt8 h LEU 71 CO 0.03 -0.26 -0.32 0.74 0.09 0.00 0.00 178.44 178.72 2yt8 h THR 72 N 0.07 1.28 0.00 0.22 2.02 -1.53 -2.52 112.91 112.46 2yt8 h THR 72 Ca 0.52 -1.43 0.00 0.00 0.77 0.00 0.00 66.41 66.28 2yt8 h THR 72 Cb 1.02 1.43 0.00 0.00 -1.74 0.00 0.00 68.15 68.87 2yt8 h THR 72 CO -0.79 0.45 0.00 -0.33 0.37 0.00 0.00 175.52 175.22 2yt8 h GLU 73 N 0.48 0.00 -5.02 6.66 4.39 0.28 -3.40 114.58 117.96 2yt8 h GLU 73 Ca 0.06 0.00 -0.65 0.00 0.34 0.00 0.00 59.36 59.10 2yt8 h GLU 73 Cb 0.79 0.00 -0.16 0.00 -0.10 0.00 0.00 28.75 29.28 2yt8 h GLU 73 CO 0.06 0.00 -0.26 0.00 -1.16 0.00 0.00 179.01 177.65 2yt8 s ALA 74 N -3.71 3.51 0.38 3.43 0.00 -0.38 -5.06 121.76 119.93 2yt8 s ALA 74 Ca -0.00 -1.09 0.08 0.00 0.00 0.00 0.00 51.96 50.94 2yt8 s ALA 74 Cb 0.10 -2.80 -0.03 0.00 0.00 0.00 0.00 23.12 20.39 2yt8 s ALA 74 CO 0.44 -0.96 0.31 0.71 0.00 0.00 0.00 175.76 176.26 2yt8 s TYR 75 N 2.05 2.77 0.00 0.00 1.51 -1.26 -4.91 117.35 117.51 2yt8 s TYR 75 Ca 0.13 -0.42 0.00 0.00 -1.01 0.00 0.00 57.07 55.77 2yt8 s TYR 75 Cb -0.16 -1.98 0.00 0.00 -0.11 0.00 0.00 41.96 39.71 2yt8 s TYR 75 CO 0.11 0.05 0.00 0.41 -1.11 0.00 0.00 175.55 175.01 2yt8 n GLY 76 N -1.43 3.92 3.65 0.71 0.00 0.26 -4.58 105.19 107.72 2yt8 n GLY 76 Ca 0.01 0.09 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 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 4.10 -0.23 1.61 2.12 -1.26 -0.70 118.70 124.34 2yt8 s GLU 77 Ca 0.00 1.72 0.01 0.00 0.36 0.00 0.00 54.97 57.07 2yt8 s GLU 77 Cb 0.00 -3.88 0.05 0.00 0.26 0.00 0.00 34.13 30.56 2yt8 s GLU 77 CO 0.00 -0.90 -0.09 0.08 -0.54 0.00 0.00 175.26 173.81 2yt8 s VAL 78 N 4.05 1.76 -0.60 3.70 1.01 -0.88 -4.97 120.40 124.47 2yt8 s VAL 78 Ca 0.62 -1.25 -0.22 0.00 0.00 0.00 0.00 61.98 61.13 2yt8 s VAL 78 Cb -0.24 -1.90 0.07 0.00 0.00 0.00 0.00 36.38 34.31 2yt8 s VAL 78 CO 0.22 0.03 0.86 -1.00 0.00 0.00 0.00 175.10 175.21 2yt8 s HIS 79 N 1.31 2.81 -0.21 5.22 3.76 -1.26 -1.38 115.29 125.54 2yt8 s HIS 79 Ca -0.05 -0.53 -0.08 0.00 -0.15 0.00 0.00 55.06 54.26 2yt8 s HIS 79 Cb -0.18 -4.09 -0.04 0.00 1.11 0.00 0.00 32.58 29.38 2yt8 s HIS 79 CO -0.07 -1.44 0.08 0.42 -0.85 0.00 0.00 174.74 172.88 2yt8 s ILE 80 N 3.58 4.73 -0.45 0.60 1.01 -0.15 0.11 121.20 130.62 2yt8 s ILE 80 Ca 0.21 -0.05 -0.15 0.00 0.00 0.00 0.00 60.65 60.66 2yt8 s ILE 80 Cb -0.18 -3.16 0.06 0.00 0.01 0.00 0.00 42.46 39.19 2yt8 s ILE 80 CO 0.11 0.41 0.36 -0.75 0.00 0.00 0.00 174.94 175.07 2yt8 s LYS 81 N 0.83 2.94 0.09 2.79 2.20 -0.40 -1.45 119.74 126.74 2yt8 s LYS 81 Ca 0.04 -1.30 -0.01 0.00 -0.36 0.00 0.00 55.97 54.34 2yt8 s LYS 81 Cb -0.13 -4.06 -0.04 0.00 -1.51 0.00 0.00 37.83 32.08 2yt8 s LYS 81 CO 0.02 -0.97 0.26 0.95 -0.36 0.00 0.00 175.35 175.26 2yt8 s THR 82 N 1.62 5.32 -0.26 3.43 -4.23 0.37 -2.25 115.64 119.65 2yt8 s THR 82 Ca 0.04 -0.29 -0.24 0.00 -1.18 0.00 0.00 61.69 60.02 2yt8 s THR 82 Cb -0.23 -3.64 0.07 0.00 1.34 0.00 0.00 72.50 70.04 2yt8 s THR 82 CO 0.07 0.10 0.69 -0.32 -0.54 0.00 0.00 174.62 174.61 2yt8 s MET 83 N -2.60 0.80 -0.22 3.99 0.00 0.13 -2.31 119.30 119.09 2yt8 s MET 83 Ca 0.37 0.97 -0.29 0.00 0.00 0.00 0.00 55.69 56.73 2yt8 s MET 83 Cb -0.13 0.39 -0.03 0.00 0.00 0.00 0.00 34.83 35.06 2yt8 s MET 83 CO 0.27 -0.10 1.61 -1.25 0.00 0.00 0.00 175.02 175.56 2yt8 s PRO 84 N 0.39 3.80 0.39 4.11 0.04 -1.26 0.57 135.00 143.05 2yt8 s PRO 84 Ca -0.00 1.66 0.25 0.00 0.04 0.00 0.00 61.00 62.95 2yt8 s PRO 84 Cb -0.05 -4.03 1.39 0.00 0.04 0.00 0.00 34.50 31.85 2yt8 s PRO 84 CO 0.00 -1.28 1.57 0.00 0.04 0.00 0.00 177.00 177.33 2yt8 n ALA 85 N 8.42 1.14 0.01 8.56 0.00 -1.26 -1.25 120.51 136.12 2yt8 n ALA 85 Ca 0.19 0.97 -0.01 0.00 0.00 0.00 0.00 53.44 54.58 2yt8 n ALA 85 Cb 0.45 -1.03 -0.01 0.00 0.00 0.00 0.00 19.45 18.87 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 1.86 -0.67 0.11 0.00 0.00 -1.95 -0.30 119.26 118.30 2yt8 h ALA 86 Ca 0.86 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.76 2yt8 h ALA 86 Cb 2.44 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 20.60 2yt8 h ALA 86 CO -0.67 -0.68 -0.27 1.15 0.00 0.00 0.00 179.25 178.78 2yt8 h THR 87 N -0.06 0.00 -0.41 0.00 2.02 -1.58 -0.62 112.91 112.25 2yt8 h THR 87 Ca -0.00 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.21 2yt8 h THR 87 Cb 0.06 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 66.42 2yt8 h THR 87 CO -0.01 0.00 -0.24 0.00 0.37 0.00 0.00 175.52 175.63 2yt8 n TYR 88 N -3.98 -0.18 -0.27 3.16 9.36 -0.88 0.38 117.16 124.75 2yt8 n TYR 88 Ca -0.05 0.52 0.08 0.00 3.32 0.00 0.00 57.90 61.77 2yt8 n TYR 88 Cb 0.22 -0.50 0.22 0.00 -0.63 0.00 0.00 39.34 38.64 2yt8 n TYR 88 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2yt8 h ARG 89 N 0.00 0.28 0.00 2.98 3.08 -0.94 0.65 114.38 120.43 2yt8 h ARG 89 Ca 0.07 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.07 2yt8 h ARG 89 Cb 0.17 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.15 2yt8 h ARG 89 CO -0.39 0.19 -0.15 -0.07 -1.07 0.00 0.00 179.97 178.48 2yt8 h LEU 90 N 0.29 0.00 0.03 3.04 3.38 0.16 0.24 115.31 122.44 2yt8 h LEU 90 Ca 0.46 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.38 2yt8 h LEU 90 Cb 0.82 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.58 2yt8 h LEU 90 CO -0.53 0.15 -0.23 -0.07 0.09 0.00 0.00 178.44 177.85 2yt8 h LEU 91 N 0.00 0.15 -1.14 1.67 3.38 0.45 -3.31 115.31 116.51 2yt8 h LEU 91 Ca -0.00 -0.91 -0.08 0.00 0.09 0.00 0.00 57.88 56.98 2yt8 h LEU 91 Cb 0.30 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 2yt8 h LEU 91 CO 0.02 1.04 -0.37 0.71 0.09 0.00 0.00 178.44 179.94 2yt8 h THR 92 N -0.72 1.01 0.18 0.22 1.35 -0.63 -3.30 112.91 111.03 2yt8 h THR 92 Ca -0.04 -1.39 -0.00 0.00 -0.55 0.00 0.00 66.41 64.43 2yt8 h THR 92 Cb 1.10 1.81 -0.01 0.00 -1.73 0.00 0.00 68.15 69.32 2yt8 h THR 92 CO 0.04 0.36 -0.18 1.23 -0.25 0.00 0.00 175.52 176.72 2yt8 h GLY 93 N 1.60 -0.91 0.24 5.82 0.00 -0.62 -3.51 103.07 105.69 2yt8 h GLY 93 Ca -0.00 0.41 0.00 0.00 0.00 0.00 0.00 47.33 47.74 2yt8 h GLY 93 CO 0.05 -0.31 0.00 -1.06 0.00 0.00 0.00 176.54 175.22