#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yt8 n SER 2 N 0.00 1.72 -4.55 1.61 3.41 -1.26 -4.90 113.62 109.64 2yt8 n SER 2 Ca 0.00 0.06 -0.40 0.00 -0.26 0.00 0.00 58.87 58.27 2yt8 n SER 2 Cb 0.00 -0.27 -0.03 0.00 -0.26 0.00 0.00 64.21 63.65 2yt8 n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2yt8 s SER 3 N -5.65 6.05 -0.16 4.04 0.15 -1.26 -4.98 113.70 111.89 2yt8 s SER 3 Ca -0.15 -0.46 0.01 0.00 0.70 0.00 0.00 55.95 56.04 2yt8 s SER 3 Cb 0.05 -2.56 0.01 0.00 -1.71 0.00 0.00 66.02 61.81 2yt8 s SER 3 CO 0.22 -1.90 -0.18 -0.83 1.20 0.00 0.00 173.24 171.75 2yt8 s GLY 4 N 4.62 1.42 -0.90 9.45 0.00 -1.26 -5.06 107.32 115.59 2yt8 s GLY 4 Ca 0.42 -1.12 -0.07 0.00 0.00 0.00 0.00 44.72 43.95 2yt8 s GLY 4 CO 0.12 0.10 0.82 -0.45 0.00 0.00 0.00 173.10 173.69 2yt8 s SER 5 N 0.98 6.43 -0.16 1.64 0.15 -1.26 -5.04 113.70 116.45 2yt8 s SER 5 Ca -0.02 -3.30 -0.34 0.00 0.70 0.00 0.00 55.95 52.99 2yt8 s SER 5 Cb -0.15 -2.06 -0.11 0.00 -1.71 0.00 0.00 66.02 62.00 2yt8 s SER 5 CO -0.04 -0.33 1.99 -1.20 1.20 0.00 0.00 173.24 174.85 2yt8 n SER 6 N 3.01 3.17 0.00 5.45 7.64 -1.26 -4.48 113.62 127.15 2yt8 n SER 6 Ca 0.18 0.77 0.00 0.00 1.01 0.00 0.00 58.87 60.83 2yt8 n SER 6 Cb 0.40 -1.37 0.00 0.00 -1.01 0.00 0.00 64.21 62.23 2yt8 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yt8 n GLY 7 N 4.99 -2.11 3.75 0.23 0.00 -1.26 -5.13 105.19 105.66 2yt8 n GLY 7 Ca 0.27 0.65 -0.37 0.00 0.00 0.00 0.00 46.02 46.57 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 -0.49 5.19 -0.06 1.61 1.01 -1.26 -4.98 120.40 121.43 2yt8 s VAL 8 Ca 0.00 0.82 -0.25 0.00 0.00 0.00 0.00 61.98 62.54 2yt8 s VAL 8 Cb 0.00 -3.74 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 2yt8 s VAL 8 CO 0.00 0.40 0.79 -0.89 0.00 0.00 0.00 175.10 175.39 2yt8 s THR 9 N 0.23 4.98 -0.13 3.92 2.01 -1.08 -5.00 115.64 120.57 2yt8 s THR 9 Ca 0.23 1.63 0.03 0.00 0.31 0.00 0.00 61.69 63.88 2yt8 s THR 9 Cb -0.15 -4.12 0.01 0.00 0.01 0.00 0.00 72.50 68.25 2yt8 s THR 9 CO 0.09 0.21 -0.22 -0.89 -0.69 0.00 0.00 174.62 173.12 2yt8 s THR 10 N 0.98 2.02 0.21 -0.82 2.01 -1.26 -1.22 115.64 117.56 2yt8 s THR 10 Ca 0.41 -0.96 0.11 0.00 0.31 0.00 0.00 61.69 61.56 2yt8 s THR 10 Cb -0.18 -1.78 -0.04 0.00 0.01 0.00 0.00 72.50 70.50 2yt8 s THR 10 CO 0.20 0.54 -0.17 0.00 -0.69 0.00 0.00 174.62 174.51 2yt8 s ALA 11 N 0.78 2.76 -0.18 7.40 0.00 -0.96 -4.92 121.76 126.64 2yt8 s ALA 11 Ca -0.08 -1.63 0.01 0.00 0.00 0.00 0.00 51.96 50.26 2yt8 s ALA 11 Cb -0.16 -0.49 0.03 0.00 0.00 0.00 0.00 23.12 22.51 2yt8 s ALA 11 CO -0.01 0.40 -0.12 0.42 0.00 0.00 0.00 175.76 176.46 2yt8 s ILE 12 N -1.88 1.61 -0.06 0.00 -1.09 -1.15 -1.97 121.20 116.67 2yt8 s ILE 12 Ca 0.25 -0.86 -0.14 0.00 -2.23 0.00 0.00 60.65 57.66 2yt8 s ILE 12 Cb -0.08 -1.62 -0.05 0.00 -1.58 0.00 0.00 42.46 39.13 2yt8 s ILE 12 CO 0.13 0.28 0.36 -0.63 -1.23 0.00 0.00 174.94 173.85 2yt8 s ILE 13 N 1.43 5.15 -0.52 2.92 -1.09 -0.13 -3.75 121.20 125.22 2yt8 s ILE 13 Ca 0.01 0.72 -0.14 0.00 -2.23 0.00 0.00 60.65 59.02 2yt8 s ILE 13 Cb -0.15 -3.67 0.13 0.00 -1.58 0.00 0.00 42.46 37.19 2yt8 s ILE 13 CO -0.09 0.52 0.45 -1.00 -1.23 0.00 0.00 174.94 173.59 2yt8 s HIS 14 N -0.62 3.30 -0.89 3.97 3.76 -1.25 -1.45 115.29 122.11 2yt8 s HIS 14 Ca 0.22 -1.46 -0.05 0.00 -0.15 0.00 0.00 55.06 53.62 2yt8 s HIS 14 Cb -0.15 -3.69 0.22 0.00 1.11 0.00 0.00 32.58 30.07 2yt8 s HIS 14 CO 0.10 -1.01 0.80 1.03 -0.85 0.00 0.00 174.74 174.81 2yt8 s ARG 15 N 1.53 3.40 0.44 1.40 0.52 0.59 -4.87 118.95 121.96 2yt8 s ARG 15 Ca 0.04 -3.08 0.23 0.00 -0.52 0.00 0.00 55.73 52.40 2yt8 s ARG 15 Cb -0.29 -4.10 0.99 0.00 0.52 0.00 0.00 34.95 32.08 2yt8 s ARG 15 CO 0.02 -1.25 1.87 -1.00 0.02 0.00 0.00 175.30 174.96 2yt8 h PRO 16 N 6.48 0.00 -5.88 3.54 0.13 -1.95 0.81 132.00 135.12 2yt8 h PRO 16 Ca 0.13 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.75 2yt8 h PRO 16 Cb 0.87 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 31.81 2yt8 h PRO 16 CO 0.86 0.24 -0.79 -1.58 -0.23 0.00 0.00 178.00 176.50 2yt8 s HIS 17 N -3.80 1.73 -0.09 1.56 2.46 -1.26 -4.89 115.29 111.00 2yt8 s HIS 17 Ca -0.01 -0.47 0.09 0.00 0.47 0.00 0.00 55.06 55.14 2yt8 s HIS 17 Cb 0.11 -0.89 -0.24 0.00 -0.13 0.00 0.00 32.58 31.44 2yt8 s HIS 17 CO 0.64 0.27 0.47 0.00 -2.47 0.00 0.00 174.74 173.65 2yt8 n ALA 18 N 0.49 1.38 0.56 1.58 0.00 -1.26 -4.08 120.51 119.18 2yt8 n ALA 18 Ca -0.15 -0.84 -0.04 0.00 0.00 0.00 0.00 53.44 52.41 2yt8 n ALA 18 Cb 0.56 -0.68 0.04 0.00 0.00 0.00 0.00 19.45 19.37 2yt8 n ALA 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2yt8 n ARG 19 N -3.09 1.30 -5.14 0.00 1.74 -1.26 -4.82 116.66 105.39 2yt8 n ARG 19 Ca -0.24 -0.60 -0.31 0.00 -0.77 0.00 0.00 57.85 55.93 2yt8 n ARG 19 Cb 1.07 -1.27 -0.15 0.00 -1.02 0.00 0.00 32.46 31.08 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 -0.72 2.15 1.34 5.56 0.41 -1.26 -5.13 118.70 121.05 2yt8 s GLU 20 Ca 0.11 -0.91 -0.22 0.00 -0.41 0.00 0.00 54.97 53.54 2yt8 s GLU 20 Cb 0.09 -2.11 0.35 0.00 -1.78 0.00 0.00 34.13 30.69 2yt8 s GLU 20 CO 0.02 0.57 0.83 0.00 -0.49 0.00 0.00 175.26 176.18 2yt8 n GLN 21 N 2.28 -4.53 -0.06 1.61 0.00 -1.26 -5.01 117.38 110.40 2yt8 n GLN 21 Ca -0.16 -1.38 -0.09 0.00 0.00 0.00 0.00 57.00 55.37 2yt8 n GLN 21 Cb 0.51 -1.74 -0.06 0.00 0.00 0.00 0.00 30.24 28.96 2yt8 n GLN 21 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 2yt8 n LEU 22 N 0.00 2.77 0.00 2.61 4.77 -1.26 -5.04 117.00 120.85 2yt8 n LEU 22 Ca 0.13 -0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 2yt8 n LEU 22 Cb 0.56 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 2yt8 n LEU 22 CO 0.37 0.69 0.00 0.61 -1.33 0.00 0.00 177.39 177.72 2yt8 n GLY 23 N 2.84 2.99 3.74 -0.72 0.00 -1.26 -4.10 105.19 108.67 2yt8 n GLY 23 Ca -0.23 -0.80 -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 -0.36 3.61 -0.26 1.61 -0.71 -1.26 0.01 117.98 120.61 2yt8 s PHE 24 Ca 0.00 1.15 -0.11 0.00 -1.04 0.00 0.00 56.93 56.93 2yt8 s PHE 24 Cb 0.00 -2.66 -0.05 0.00 -1.21 0.00 0.00 43.02 39.10 2yt8 s PHE 24 CO 0.00 0.22 0.18 0.00 -1.34 0.00 0.00 175.22 174.28 2yt8 s VAL 26 N 1.47 4.91 -0.17 0.00 1.01 -1.26 -1.25 120.40 125.11 2yt8 s VAL 26 Ca 0.07 -0.01 -0.02 0.00 0.00 0.00 0.00 61.98 62.02 2yt8 s VAL 26 Cb -0.15 -3.13 0.05 0.00 0.00 0.00 0.00 36.38 33.15 2yt8 s VAL 26 CO 0.08 0.58 -0.01 -1.61 0.00 0.00 0.00 175.10 174.15 2yt8 s GLU 27 N -0.68 0.97 -1.63 2.72 2.02 0.56 -4.79 118.70 117.87 2yt8 s GLU 27 Ca 0.12 -0.41 -0.03 0.00 0.02 0.00 0.00 54.97 54.67 2yt8 s GLU 27 Cb -0.12 -1.92 0.01 0.00 0.10 0.00 0.00 34.13 32.20 2yt8 s GLU 27 CO 0.02 -0.51 0.37 -0.25 0.02 0.00 0.00 175.26 174.91 2yt8 n ASP 28 N 4.98 -5.97 0.00 -0.19 8.00 -1.26 -1.14 116.55 120.97 2yt8 n ASP 28 Ca -0.10 -0.18 0.00 0.00 0.71 0.00 0.00 54.79 55.22 2yt8 n ASP 28 Cb 0.48 -4.88 0.00 0.00 -0.02 0.00 0.00 41.12 36.70 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 -1.32 0.43 2.72 0.44 0.00 -1.26 -4.87 105.19 101.34 2yt8 n GLY 29 Ca -0.16 -0.79 -0.22 0.00 0.00 0.00 0.00 46.02 44.84 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 0.35 -0.61 1.01 -0.29 -0.86 121.20 118.97 2yt8 s ILE 30 Ca 0.00 0.17 -0.28 0.00 0.00 0.00 0.00 60.65 60.54 2yt8 s ILE 30 Cb 0.00 -0.42 -0.11 0.00 0.01 0.00 0.00 42.46 41.94 2yt8 s ILE 30 CO 0.00 0.16 1.44 -0.63 0.00 0.00 0.00 174.94 175.91 2yt8 s ILE 31 N 2.05 2.28 0.08 2.92 1.01 -1.17 -0.32 121.20 128.05 2yt8 s ILE 31 Ca 0.04 0.27 -0.01 0.00 0.00 0.00 0.00 60.65 60.96 2yt8 s ILE 31 Cb -0.13 -3.17 -0.00 0.00 0.01 0.00 0.00 42.46 39.17 2yt8 s ILE 31 CO -0.05 0.06 -0.02 0.00 0.00 0.00 0.00 174.94 174.94 2yt8 s SER 33 N -5.91 4.52 -0.03 0.00 1.04 -1.24 -4.62 113.70 107.46 2yt8 s SER 33 Ca -0.02 -0.56 0.01 0.00 0.48 0.00 0.00 55.95 55.87 2yt8 s SER 33 Cb 0.00 -0.86 0.02 0.00 0.10 0.00 0.00 66.02 65.28 2yt8 s SER 33 CO 0.02 0.05 -0.05 -0.22 0.98 0.00 0.00 173.24 174.03 2yt8 s LEU 34 N -3.25 1.51 -0.03 2.42 0.20 -1.26 -0.94 118.68 117.32 2yt8 s LEU 34 Ca 0.29 -0.12 -0.30 0.00 0.69 0.00 0.00 54.13 54.69 2yt8 s LEU 34 Cb -0.08 -0.40 -0.06 0.00 -0.43 0.00 0.00 46.19 45.22 2yt8 s LEU 34 CO 0.18 -0.02 1.66 -0.22 -0.29 0.00 0.00 176.35 177.67 2yt8 s LEU 35 N 0.62 4.33 0.09 -0.68 2.96 0.10 -4.94 118.68 121.16 2yt8 s LEU 35 Ca -0.08 2.28 -0.31 0.00 -0.22 0.00 0.00 54.13 55.80 2yt8 s LEU 35 Cb -0.11 -3.54 -0.08 0.00 0.50 0.00 0.00 46.19 42.96 2yt8 s LEU 35 CO 0.00 -0.92 1.52 -0.60 -1.32 0.00 0.00 176.35 175.03 2yt8 s ARG 36 N 3.86 4.25 -0.61 1.98 3.52 -1.26 -3.08 118.95 127.61 2yt8 s ARG 36 Ca 0.74 2.20 -0.01 0.00 -0.13 0.00 0.00 55.73 58.53 2yt8 s ARG 36 Cb -0.34 -3.40 0.00 0.00 -1.56 0.00 0.00 34.95 29.64 2yt8 s ARG 36 CO 0.30 -0.60 0.51 0.41 -0.81 0.00 0.00 175.30 175.12 2yt8 n GLY 37 N 3.74 0.09 0.00 8.12 0.00 -1.26 -5.04 105.19 110.84 2yt8 n GLY 37 Ca 0.14 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.11 5.20 0.10 -0.02 0.00 -1.18 -5.09 105.19 103.10 2yt8 n GLY 38 Ca -0.11 -1.58 -0.19 0.00 0.00 0.00 0.00 46.02 44.14 2yt8 n GLY 38 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2yt8 n ILE 39 N 0.00 1.51 -0.31 -0.61 5.41 -1.26 -4.12 119.36 119.97 2yt8 n ILE 39 Ca 0.00 -0.04 -0.08 0.00 1.00 0.00 0.00 62.75 63.63 2yt8 n ILE 39 Cb 0.00 -2.10 -0.07 0.00 -0.71 0.00 0.00 39.64 36.75 2yt8 n ILE 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2yt8 n ALA 40 N -3.70 -0.47 -0.31 -1.39 0.00 -1.26 0.14 120.51 113.53 2yt8 n ALA 40 Ca -0.30 0.63 0.10 0.00 0.00 0.00 0.00 53.44 53.87 2yt8 n ALA 40 Cb 0.63 -0.08 0.27 0.00 0.00 0.00 0.00 19.45 20.27 2yt8 n ALA 40 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2yt8 h GLU 41 N 0.00 0.55 0.07 0.00 4.81 -1.79 0.20 114.58 118.42 2yt8 h GLU 41 Ca 0.12 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.31 2yt8 h GLU 41 Cb 0.30 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.56 2yt8 h GLU 41 CO -0.70 0.37 -0.03 0.00 -0.73 0.00 0.00 179.01 177.92 2yt8 h ARG 42 N 0.57 -0.09 -0.01 1.92 3.08 0.11 -3.23 114.38 116.73 2yt8 h ARG 42 Ca 0.52 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.57 2yt8 h ARG 42 Cb 0.84 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.91 2yt8 h ARG 42 CO -0.42 0.14 0.00 0.78 -1.07 0.00 0.00 179.97 179.41 2yt8 h GLY 43 N -0.33 0.01 0.00 0.04 0.00 0.49 -3.47 103.07 99.81 2yt8 h GLY 43 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 2yt8 h GLY 43 CO 0.02 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.17 2yt8 n GLY 44 N -1.09 0.28 3.74 4.60 0.00 0.57 -2.94 105.19 110.34 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 -0.29 4.99 -0.06 -0.61 -1.09 -0.44 -4.59 121.20 119.10 2yt8 s ILE 45 Ca 0.00 1.33 -0.01 0.00 -2.23 0.00 0.00 60.65 59.75 2yt8 s ILE 45 Cb 0.00 -3.98 0.03 0.00 -1.58 0.00 0.00 42.46 36.92 2yt8 s ILE 45 CO 0.00 0.33 -0.01 -0.13 -1.23 0.00 0.00 174.94 173.90 2yt8 s ARG 46 N 0.35 0.68 0.77 2.79 1.81 -1.26 -4.42 118.95 119.68 2yt8 s ARG 46 Ca 0.34 0.03 -0.15 0.00 -1.72 0.00 0.00 55.73 54.23 2yt8 s ARG 46 Cb -0.18 -0.93 -0.00 0.00 -0.45 0.00 0.00 34.95 33.39 2yt8 s ARG 46 CO 0.17 -0.23 0.65 1.33 -0.68 0.00 0.00 175.30 176.55 2yt8 n VAL 47 N 4.78 1.67 0.00 3.52 0.24 -1.26 -2.96 118.33 124.31 2yt8 n VAL 47 Ca -0.13 -0.34 0.00 0.00 -2.04 0.00 0.00 64.34 61.83 2yt8 n VAL 47 Cb 0.50 -0.83 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 1.41 2.89 3.77 7.63 0.00 -0.73 -4.99 105.19 115.17 2yt8 n GLY 48 Ca 0.10 -0.19 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.12 3.81 0.12 1.61 3.76 -1.16 -4.60 115.29 116.72 2yt8 s HIS 49 Ca 0.00 1.83 -0.01 0.00 -0.15 0.00 0.00 55.06 56.73 2yt8 s HIS 49 Cb 0.00 -2.94 -0.04 0.00 1.11 0.00 0.00 32.58 30.71 2yt8 s HIS 49 CO 0.00 0.31 0.29 0.50 -0.85 0.00 0.00 174.74 174.99 2yt8 s ARG 50 N -1.70 3.50 -0.04 1.40 3.52 0.19 -3.02 118.95 122.80 2yt8 s ARG 50 Ca 0.46 -0.35 -0.22 0.00 -0.13 0.00 0.00 55.73 55.49 2yt8 s ARG 50 Cb -0.21 -2.95 -0.05 0.00 -1.56 0.00 0.00 34.95 30.18 2yt8 s ARG 50 CO 0.27 0.53 0.63 0.42 -0.81 0.00 0.00 175.30 176.34 2yt8 s ILE 51 N -1.64 4.98 0.00 4.11 -1.09 -0.04 -0.33 121.20 127.19 2yt8 s ILE 51 Ca 0.37 1.31 0.00 0.00 -2.23 0.00 0.00 60.65 60.11 2yt8 s ILE 51 Cb -0.12 -3.97 0.00 0.00 -1.58 0.00 0.00 42.46 36.79 2yt8 s ILE 51 CO 0.27 0.34 0.00 2.30 -1.23 0.00 0.00 174.94 176.62 2yt8 n ILE 52 N 3.24 0.00 -3.55 2.92 -5.35 -1.16 -4.41 119.36 111.04 2yt8 n ILE 52 Ca -0.04 -0.18 -0.16 0.00 -0.27 0.00 0.00 62.75 62.10 2yt8 n ILE 52 Cb 0.51 0.66 -0.06 0.00 -1.74 0.00 0.00 39.64 39.01 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 -1.31 0.94 -0.09 6.28 2.12 -1.24 -1.95 118.70 123.45 2yt8 s GLU 53 Ca 0.00 0.41 -0.09 0.00 0.36 0.00 0.00 54.97 55.64 2yt8 s GLU 53 Cb 0.00 0.45 0.03 0.00 0.26 0.00 0.00 34.13 34.86 2yt8 s GLU 53 CO 0.00 -0.26 0.26 0.96 -0.54 0.00 0.00 175.26 175.69 2yt8 s ILE 54 N -0.81 0.00 -0.28 -3.70 -5.25 -0.28 -1.32 121.20 109.57 2yt8 s ILE 54 Ca -0.07 -0.03 -0.00 0.00 -0.99 0.00 0.00 60.65 59.55 2yt8 s ILE 54 Cb -0.01 -0.39 0.00 0.00 2.95 0.00 0.00 42.46 45.01 2yt8 s ILE 54 CO 0.07 -0.02 0.00 0.59 -1.79 0.00 0.00 174.94 173.79 2yt8 n ASN 55 N 2.84 -1.76 -0.81 4.36 4.13 0.97 0.10 115.26 125.10 2yt8 n ASN 55 Ca -0.13 0.42 -0.03 0.00 1.68 0.00 0.00 54.58 56.52 2yt8 n ASN 55 Cb 0.58 -1.60 0.01 0.00 -1.54 0.00 0.00 39.78 37.22 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 -0.58 0.77 2.69 7.41 0.00 -1.26 -5.01 105.19 109.21 2yt8 n GLY 56 Ca -0.04 -0.59 -0.20 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.06 -0.14 1.61 -1.52 0.28 -5.11 119.66 109.63 2yt8 s GLN 57 Ca 0.06 0.40 -0.29 0.00 -1.95 0.00 0.00 55.36 53.58 2yt8 s GLN 57 Cb -0.03 -0.48 -0.05 0.00 -0.22 0.00 0.00 33.01 32.23 2yt8 s GLN 57 CO 0.08 -0.33 1.87 -1.12 -0.25 0.00 0.00 175.29 175.54 2yt8 s SER 58 N 2.19 6.18 -0.06 5.90 0.01 -1.26 -1.12 113.70 125.54 2yt8 s SER 58 Ca 0.05 2.01 0.08 0.00 1.31 0.00 0.00 55.95 59.40 2yt8 s SER 58 Cb -0.12 -2.53 0.13 0.00 0.21 0.00 0.00 66.02 63.71 2yt8 s SER 58 CO -0.03 -1.36 1.06 1.33 0.41 0.00 0.00 173.24 174.65 2yt8 n VAL 59 N 6.46 1.38 -0.23 3.43 0.24 -0.82 -4.72 118.33 124.07 2yt8 n VAL 59 Ca 0.22 -1.55 0.10 0.00 -2.04 0.00 0.00 64.34 61.08 2yt8 n VAL 59 Cb 0.44 0.18 0.38 0.00 -1.47 0.00 0.00 33.84 33.37 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 0.04 0.90 -0.24 3.34 3.04 -1.72 -1.05 116.25 120.56 2yt8 h VAL 60 Ca 0.00 -0.24 0.00 0.00 -1.01 0.00 0.00 66.70 65.45 2yt8 h VAL 60 Cb 0.72 0.15 0.00 0.00 -2.01 0.00 0.00 31.29 30.15 2yt8 h VAL 60 CO 0.00 0.13 0.00 0.00 -1.01 0.00 0.00 177.57 176.69 2yt8 n ALA 61 N -2.45 2.82 -2.72 3.17 0.00 -1.26 -5.00 120.51 115.08 2yt8 n ALA 61 Ca 0.15 -2.22 -0.37 0.00 0.00 0.00 0.00 53.44 51.00 2yt8 n ALA 61 Cb 0.39 -0.64 -0.06 0.00 0.00 0.00 0.00 19.45 19.14 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 -2.63 5.31 0.19 0.00 2.01 -0.40 -5.07 115.64 115.05 2yt8 s THR 62 Ca 0.39 0.47 -0.30 0.00 0.31 0.00 0.00 61.69 62.56 2yt8 s THR 62 Cb 0.31 -3.54 -0.09 0.00 0.01 0.00 0.00 72.50 69.19 2yt8 s THR 62 CO 0.09 0.57 1.31 -2.16 -0.69 0.00 0.00 174.62 173.74 2yt8 s PRO 63 N -0.81 4.39 0.19 4.92 0.04 -1.26 -4.83 135.00 137.63 2yt8 s PRO 63 Ca 0.18 2.04 -0.14 0.00 0.04 0.00 0.00 61.00 63.12 2yt8 s PRO 63 Cb -0.14 -3.20 0.20 0.00 0.04 0.00 0.00 34.50 31.40 2yt8 s PRO 63 CO 0.07 -0.26 1.26 1.58 0.04 0.00 0.00 177.00 179.69 2yt8 n HIS 64 N 2.75 0.03 -0.30 0.56 -0.00 -1.26 -0.34 115.22 116.65 2yt8 n HIS 64 Ca 0.06 1.00 -0.07 0.00 -0.00 0.00 0.00 57.72 58.72 2yt8 n HIS 64 Cb 0.43 -0.80 -0.05 0.00 -0.00 0.00 0.00 29.99 29.56 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 -3.57 -0.39 0.06 1.57 0.00 -1.26 -0.02 120.51 116.90 2yt8 n ALA 65 Ca 0.08 0.64 -0.13 0.00 0.00 0.00 0.00 53.44 54.04 2yt8 n ALA 65 Cb 0.33 -0.15 -0.08 0.00 0.00 0.00 0.00 19.45 19.55 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 -0.11 -0.98 0.00 9.65 -1.06 -2.86 114.38 119.03 2yt8 h ARG 66 Ca 0.15 0.01 0.34 0.00 -1.10 0.00 0.00 59.98 59.37 2yt8 h ARG 66 Cb 0.33 0.02 -0.16 0.00 -1.39 0.00 0.00 29.97 28.77 2yt8 h ARG 66 CO -0.70 0.07 0.43 0.82 2.80 0.00 0.00 179.97 183.39 2yt8 h ILE 67 N -0.27 0.15 -0.24 1.20 2.04 0.10 0.49 117.51 120.98 2yt8 h ILE 67 Ca -0.01 -0.05 -0.02 0.00 1.00 0.00 0.00 64.86 65.77 2yt8 h ILE 67 Cb 0.22 -0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.29 2yt8 h ILE 67 CO 0.02 0.03 0.06 0.40 0.00 0.00 0.00 178.15 178.65 2yt8 h ILE 68 N 0.15 1.21 -0.59 -0.67 1.08 -0.79 -1.58 117.51 116.31 2yt8 h ILE 68 Ca 0.73 -0.70 0.02 0.00 -0.39 0.00 0.00 64.86 64.52 2yt8 h ILE 68 Cb 1.73 1.22 -0.03 0.00 -3.07 0.00 0.00 36.82 36.67 2yt8 h ILE 68 CO -0.72 0.22 0.39 -0.33 -0.69 0.00 0.00 178.15 177.03 2yt8 h GLU 69 N 0.21 0.71 0.15 2.37 5.08 0.03 -1.70 114.58 121.43 2yt8 h GLU 69 Ca 0.07 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 2yt8 h GLU 69 Cb 0.29 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.38 2yt8 h GLU 69 CO 0.00 0.47 -0.07 -0.07 -1.00 0.00 0.00 179.01 178.34 2yt8 h LEU 70 N 0.73 -0.17 -0.94 1.33 3.38 -0.89 -2.42 115.31 116.33 2yt8 h LEU 70 Ca 0.23 0.01 0.28 0.00 0.09 0.00 0.00 57.88 58.49 2yt8 h LEU 70 Cb 0.02 0.04 -0.16 0.00 0.09 0.00 0.00 40.66 40.65 2yt8 h LEU 70 CO -0.06 -0.05 0.21 -0.07 0.09 0.00 0.00 178.44 178.57 2yt8 h LEU 71 N -0.35 -0.11 -0.16 1.67 3.38 -1.28 0.35 115.31 118.80 2yt8 h LEU 71 Ca -0.02 0.24 0.00 0.00 0.09 0.00 0.00 57.88 58.19 2yt8 h LEU 71 Cb 0.16 0.35 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 2yt8 h LEU 71 CO 0.03 -0.27 0.10 0.74 0.09 0.00 0.00 178.44 179.13 2yt8 h THR 72 N 0.10 1.03 -0.22 0.22 2.02 -1.38 -1.97 112.91 112.72 2yt8 h THR 72 Ca 0.62 -0.07 0.06 0.00 0.77 0.00 0.00 66.41 67.79 2yt8 h THR 72 Cb 1.35 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 68.56 2yt8 h THR 72 CO -0.77 0.04 0.16 -0.33 0.37 0.00 0.00 175.52 174.99 2yt8 h GLU 73 N 0.20 0.00 -6.19 6.66 5.08 0.18 -3.38 114.58 117.13 2yt8 h GLU 73 Ca 0.06 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.83 2yt8 h GLU 73 Cb -0.02 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.15 2yt8 h GLU 73 CO -0.02 0.00 0.66 0.00 -1.00 0.00 0.00 179.01 178.65 2yt8 s ALA 74 N -5.00 3.36 0.39 3.43 0.00 -0.64 -5.03 121.76 118.27 2yt8 s ALA 74 Ca -0.05 -0.47 0.08 0.00 0.00 0.00 0.00 51.96 51.52 2yt8 s ALA 74 Cb 0.18 -3.61 -0.06 0.00 0.00 0.00 0.00 23.12 19.63 2yt8 s ALA 74 CO 0.68 -1.75 0.11 0.71 0.00 0.00 0.00 175.76 175.52 2yt8 s TYR 75 N 3.66 2.59 0.00 0.00 1.51 -1.26 -4.86 117.35 118.99 2yt8 s TYR 75 Ca 0.40 -0.54 0.00 0.00 -1.01 0.00 0.00 57.07 55.92 2yt8 s TYR 75 Cb -0.11 -1.79 0.00 0.00 -0.11 0.00 0.00 41.96 39.95 2yt8 s TYR 75 CO 0.21 0.31 0.00 0.41 -1.11 0.00 0.00 175.55 175.37 2yt8 n GLY 76 N -1.12 1.75 3.52 0.71 0.00 0.28 -4.41 105.19 105.91 2yt8 n GLY 76 Ca -0.02 0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 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 3.32 -0.23 1.61 2.12 -1.26 -0.30 118.70 123.96 2yt8 s GLU 77 Ca 0.00 -0.74 -0.09 0.00 0.36 0.00 0.00 54.97 54.50 2yt8 s GLU 77 Cb 0.00 -4.56 -0.04 0.00 0.26 0.00 0.00 34.13 29.78 2yt8 s GLU 77 CO 0.00 -2.06 0.12 0.08 -0.54 0.00 0.00 175.26 172.86 2yt8 s VAL 78 N 4.89 4.95 -0.43 3.70 1.01 -0.53 -4.97 120.40 129.02 2yt8 s VAL 78 Ca 0.35 0.04 -0.14 0.00 0.00 0.00 0.00 61.98 62.23 2yt8 s VAL 78 Cb -0.08 -3.29 0.05 0.00 0.00 0.00 0.00 36.38 33.06 2yt8 s VAL 78 CO 0.05 0.36 0.31 -1.00 0.00 0.00 0.00 175.10 174.82 2yt8 s HIS 79 N 1.09 3.25 -0.30 5.22 3.76 -1.26 -0.95 115.29 126.10 2yt8 s HIS 79 Ca 0.06 -0.89 -0.06 0.00 -0.15 0.00 0.00 55.06 54.01 2yt8 s HIS 79 Cb -0.14 -2.80 0.02 0.00 1.11 0.00 0.00 32.58 30.77 2yt8 s HIS 79 CO 0.04 -0.70 0.07 0.42 -0.85 0.00 0.00 174.74 173.72 2yt8 s ILE 80 N 1.61 3.85 -0.48 0.60 1.01 -0.83 -0.02 121.20 126.94 2yt8 s ILE 80 Ca 0.04 -0.79 -0.23 0.00 0.00 0.00 0.00 60.65 59.67 2yt8 s ILE 80 Cb -0.21 -3.02 0.03 0.00 0.01 0.00 0.00 42.46 39.27 2yt8 s ILE 80 CO 0.07 0.04 0.79 -0.75 0.00 0.00 0.00 174.94 175.09 2yt8 s LYS 81 N 1.47 3.33 0.08 2.79 2.20 -0.44 -2.26 119.74 126.91 2yt8 s LYS 81 Ca 0.02 -0.29 -0.01 0.00 -0.36 0.00 0.00 55.97 55.32 2yt8 s LYS 81 Cb -0.18 -4.00 -0.04 0.00 -1.51 0.00 0.00 37.83 32.11 2yt8 s LYS 81 CO 0.02 -1.22 0.25 0.95 -0.36 0.00 0.00 175.35 174.99 2yt8 s THR 82 N 3.32 5.34 -0.21 3.43 -4.23 -0.35 -2.99 115.64 119.94 2yt8 s THR 82 Ca 0.27 -0.29 -0.20 0.00 -1.18 0.00 0.00 61.69 60.29 2yt8 s THR 82 Cb -0.13 -3.63 0.06 0.00 1.34 0.00 0.00 72.50 70.13 2yt8 s THR 82 CO 0.20 0.12 0.57 -0.32 -0.54 0.00 0.00 174.62 174.65 2yt8 s MET 83 N -2.54 0.66 -0.22 3.99 0.00 0.55 -2.64 119.30 119.10 2yt8 s MET 83 Ca 0.36 0.80 -0.29 0.00 0.00 0.00 0.00 55.69 56.57 2yt8 s MET 83 Cb -0.13 0.31 -0.03 0.00 0.00 0.00 0.00 34.83 34.99 2yt8 s MET 83 CO 0.27 -0.08 1.61 -1.25 0.00 0.00 0.00 175.02 175.57 2yt8 s PRO 84 N 0.36 3.80 0.35 4.11 0.04 -1.26 0.55 135.00 142.94 2yt8 s PRO 84 Ca -0.00 1.66 0.15 0.00 0.04 0.00 0.00 61.00 62.84 2yt8 s PRO 84 Cb -0.04 -4.03 1.13 0.00 0.04 0.00 0.00 34.50 31.60 2yt8 s PRO 84 CO 0.00 -1.29 1.61 0.00 0.04 0.00 0.00 177.00 177.36 2yt8 h ALA 85 N 10.69 1.88 0.20 8.56 0.00 -1.89 -0.50 119.26 138.19 2yt8 h ALA 85 Ca -0.34 0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 2yt8 h ALA 85 Cb 1.15 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 19.25 2yt8 h ALA 85 CO 1.00 -0.75 -0.27 0.00 0.00 0.00 0.00 179.25 179.23 2yt8 h ALA 86 N 1.94 -0.90 0.38 0.00 0.00 -1.94 0.00 119.26 118.73 2yt8 h ALA 86 Ca 0.75 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.57 2yt8 h ALA 86 Cb 1.84 0.56 -0.03 0.00 0.00 0.00 0.00 17.79 20.16 2yt8 h ALA 86 CO -0.74 -0.94 -0.46 1.15 0.00 0.00 0.00 179.25 178.25 2yt8 h THR 87 N -0.48 0.08 -0.63 0.00 2.02 -1.54 -0.91 112.91 111.45 2yt8 h THR 87 Ca -0.02 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.22 2yt8 h THR 87 Cb 0.44 0.08 -0.09 0.00 -1.74 0.00 0.00 68.15 66.84 2yt8 h THR 87 CO -0.07 0.00 -0.50 0.22 0.37 0.00 0.00 175.52 175.54 2yt8 h TYR 88 N -0.88 -1.57 -0.14 3.16 3.20 -1.21 0.38 116.97 119.91 2yt8 h TYR 88 Ca -0.04 0.09 0.05 0.00 3.14 0.00 0.00 58.73 61.98 2yt8 h TYR 88 Cb 0.80 0.77 -0.07 0.00 1.54 0.00 0.00 36.73 39.77 2yt8 h TYR 88 CO -0.28 -0.37 -0.35 0.00 -1.64 0.00 0.00 178.16 175.52 2yt8 h ARG 89 N -0.16 -0.40 -0.95 1.82 2.47 -0.85 0.44 114.38 116.75 2yt8 h ARG 89 Ca 0.10 0.03 0.18 0.00 -1.26 0.00 0.00 59.98 59.03 2yt8 h ARG 89 Cb 0.43 0.09 -0.08 0.00 -1.65 0.00 0.00 29.97 28.75 2yt8 h ARG 89 CO -0.68 -0.27 0.60 -0.07 0.56 0.00 0.00 179.97 180.12 2yt8 h LEU 90 N -0.42 0.66 0.05 3.04 3.38 0.06 0.36 115.31 122.43 2yt8 h LEU 90 Ca 0.09 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 2yt8 h LEU 90 Cb 0.57 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.26 2yt8 h LEU 90 CO -0.37 0.28 -0.02 -0.07 0.09 0.00 0.00 178.44 178.34 2yt8 h LEU 91 N 0.66 -0.05 -2.61 1.67 3.38 0.14 -2.97 115.31 115.53 2yt8 h LEU 91 Ca 0.51 -0.31 -0.11 0.00 0.09 0.00 0.00 57.88 58.06 2yt8 h LEU 91 Cb 0.90 0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.60 2yt8 h LEU 91 CO -0.27 0.28 0.14 1.07 0.09 0.00 0.00 178.44 179.76 2yt8 n THR 92 N -4.96 1.72 -0.01 0.22 5.66 -0.03 -4.14 114.28 112.74 2yt8 n THR 92 Ca -0.08 -0.83 -0.22 0.00 -3.05 0.00 0.00 64.05 59.87 2yt8 n THR 92 Cb 0.19 -0.53 -0.13 0.00 -1.55 0.00 0.00 70.33 68.31 2yt8 n THR 92 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 175.07 173.25 2yt8 h GLY 93 N 3.66 0.24 0.66 1.09 0.00 -0.16 -3.48 103.07 105.08 2yt8 h GLY 93 Ca 0.14 -0.61 0.00 0.00 0.00 0.00 0.00 47.33 46.85 2yt8 h GLY 93 CO 0.39 0.54 0.00 0.61 0.00 0.00 0.00 176.54 178.07