#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 4.82 -0.19 1.61 0.01 -1.26 -5.08 113.70 113.62 2yt8 s SER 2 Ca 0.00 -2.42 -0.29 0.00 1.31 0.00 0.00 55.95 54.55 2yt8 s SER 2 Cb 0.00 -1.70 -0.01 0.00 0.21 0.00 0.00 66.02 64.52 2yt8 s SER 2 CO 0.00 -0.38 1.29 -0.44 0.41 0.00 0.00 173.24 174.12 2yt8 s SER 3 N 0.79 6.87 0.00 2.44 0.01 -1.26 -4.57 113.70 117.99 2yt8 s SER 3 Ca 0.13 1.62 0.00 0.00 1.31 0.00 0.00 55.95 59.01 2yt8 s SER 3 Cb -0.22 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.48 2yt8 s SER 3 CO -0.05 -0.84 0.00 0.61 0.41 0.00 0.00 173.24 173.37 2yt8 n GLY 4 N 3.78 -2.19 3.18 3.44 0.00 -1.26 -5.07 105.19 107.08 2yt8 n GLY 4 Ca 0.14 -0.60 -0.33 0.00 0.00 0.00 0.00 46.02 45.23 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 0.00 3.20 0.17 1.61 1.04 -1.26 -5.12 113.70 113.34 2yt8 s SER 5 Ca 0.00 -0.58 0.10 0.00 0.48 0.00 0.00 55.95 55.94 2yt8 s SER 5 Cb 0.00 -1.46 -0.04 0.00 0.10 0.00 0.00 66.02 64.61 2yt8 s SER 5 CO 0.00 0.08 -0.21 -0.44 0.98 0.00 0.00 173.24 173.65 2yt8 s SER 6 N 0.82 2.98 0.00 7.02 0.01 -1.26 -5.03 113.70 118.24 2yt8 s SER 6 Ca -0.07 -0.85 0.00 0.00 1.31 0.00 0.00 55.95 56.34 2yt8 s SER 6 Cb -0.15 -0.20 0.00 0.00 0.21 0.00 0.00 66.02 65.88 2yt8 s SER 6 CO -0.02 0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.28 2yt8 n GLY 7 N 0.33 -0.04 3.68 3.44 0.00 -1.26 -5.09 105.19 106.24 2yt8 n GLY 7 Ca -0.13 -0.12 -0.43 0.00 0.00 0.00 0.00 46.02 45.34 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 4.70 -0.29 1.61 1.01 -1.26 -5.00 120.40 121.17 2yt8 s VAL 8 Ca 0.00 1.99 -0.29 0.00 0.00 0.00 0.00 61.98 63.68 2yt8 s VAL 8 Cb 0.00 -4.28 0.01 0.00 0.00 0.00 0.00 36.38 32.11 2yt8 s VAL 8 CO 0.00 -0.04 1.08 -0.89 0.00 0.00 0.00 175.10 175.25 2yt8 s THR 9 N 2.30 4.53 0.01 3.92 2.01 -1.21 -4.99 115.64 122.21 2yt8 s THR 9 Ca 0.48 1.80 -0.08 0.00 0.31 0.00 0.00 61.69 64.20 2yt8 s THR 9 Cb -0.18 -4.37 -0.05 0.00 0.01 0.00 0.00 72.50 67.91 2yt8 s THR 9 CO 0.16 -0.39 0.29 -0.89 -0.69 0.00 0.00 174.62 173.10 2yt8 s THR 10 N 3.55 5.27 -0.11 -0.82 2.01 -1.26 -2.26 115.64 122.02 2yt8 s THR 10 Ca 0.46 0.26 -0.05 0.00 0.31 0.00 0.00 61.69 62.67 2yt8 s THR 10 Cb -0.13 -3.58 0.05 0.00 0.01 0.00 0.00 72.50 68.85 2yt8 s THR 10 CO 0.13 0.39 0.24 0.00 -0.69 0.00 0.00 174.62 174.69 2yt8 s ALA 11 N -1.28 -0.55 -0.06 7.40 0.00 -0.70 -4.99 121.76 121.58 2yt8 s ALA 11 Ca 0.27 0.99 -0.09 0.00 0.00 0.00 0.00 51.96 53.13 2yt8 s ALA 11 Cb -0.13 -0.67 -0.05 0.00 0.00 0.00 0.00 23.12 22.27 2yt8 s ALA 11 CO 0.15 -0.25 0.23 0.42 0.00 0.00 0.00 175.76 176.31 2yt8 s ILE 12 N 1.39 5.36 -0.07 0.00 1.01 -1.26 -1.02 121.20 126.61 2yt8 s ILE 12 Ca -0.08 0.33 0.04 0.00 0.00 0.00 0.00 60.65 60.94 2yt8 s ILE 12 Cb -0.11 -3.51 -0.02 0.00 0.01 0.00 0.00 42.46 38.84 2yt8 s ILE 12 CO -0.08 0.55 -0.19 -0.63 0.00 0.00 0.00 174.94 174.59 2yt8 s ILE 13 N -1.10 2.62 -0.48 2.92 -1.09 -0.27 -4.13 121.20 119.68 2yt8 s ILE 13 Ca 0.20 -0.86 -0.15 0.00 -2.23 0.00 0.00 60.65 57.61 2yt8 s ILE 13 Cb -0.13 -2.02 0.08 0.00 -1.58 0.00 0.00 42.46 38.81 2yt8 s ILE 13 CO 0.09 0.57 0.39 -1.00 -1.23 0.00 0.00 174.94 173.76 2yt8 s HIS 14 N -0.24 3.26 -0.96 3.97 3.76 -1.24 -0.95 115.29 122.88 2yt8 s HIS 14 Ca -0.00 -1.04 -0.04 0.00 -0.15 0.00 0.00 55.06 53.83 2yt8 s HIS 14 Cb -0.13 -3.23 0.24 0.00 1.11 0.00 0.00 32.58 30.56 2yt8 s HIS 14 CO 0.03 -0.83 0.88 1.03 -0.85 0.00 0.00 174.74 175.00 2yt8 s ARG 15 N 1.61 3.55 0.00 1.40 0.52 0.09 -4.87 118.95 121.25 2yt8 s ARG 15 Ca 0.04 -3.29 0.15 0.00 -0.52 0.00 0.00 55.73 52.11 2yt8 s ARG 15 Cb -0.25 -4.12 0.86 0.00 0.52 0.00 0.00 34.95 31.96 2yt8 s ARG 15 CO 0.06 -1.26 1.37 -0.35 0.02 0.00 0.00 175.30 175.13 2yt8 n PRO 16 N 2.39 0.38 -3.60 3.54 -0.04 -1.26 0.07 135.00 136.48 2yt8 n PRO 16 Ca 0.22 0.06 -0.14 0.00 -0.04 0.00 0.00 63.50 63.60 2yt8 n PRO 16 Cb 0.37 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.27 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 -2.22 -0.70 -0.21 0.54 2.46 -1.26 -4.96 115.29 108.93 2yt8 s HIS 17 Ca 0.20 1.59 -0.17 0.00 0.47 0.00 0.00 55.06 57.15 2yt8 s HIS 17 Cb 0.10 0.32 -0.14 0.00 -0.13 0.00 0.00 32.58 32.74 2yt8 s HIS 17 CO 0.20 -0.41 -0.04 0.00 -2.47 0.00 0.00 174.74 172.02 2yt8 n ALA 18 N 2.15 0.84 -0.28 1.58 0.00 -1.26 -4.30 120.51 119.24 2yt8 n ALA 18 Ca -0.15 -0.66 0.26 0.00 0.00 0.00 0.00 53.44 52.89 2yt8 n ALA 18 Cb 0.56 -0.24 0.45 0.00 0.00 0.00 0.00 19.45 20.22 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 -4.42 -0.04 -3.38 0.00 5.12 -1.26 -4.09 116.66 108.60 2yt8 n ARG 19 Ca -0.32 0.96 -0.38 0.00 -1.93 0.00 0.00 57.85 56.17 2yt8 n ARG 19 Cb 0.65 -1.78 -0.06 0.00 -1.16 0.00 0.00 32.46 30.11 2yt8 n ARG 19 CO 0.00 0.00 0.00 -1.83 -1.93 0.00 0.00 177.63 173.87 2yt8 s GLU 20 N -4.96 4.07 0.71 5.56 4.04 -1.26 -5.08 118.70 121.78 2yt8 s GLU 20 Ca -0.06 0.59 -0.12 0.00 0.04 0.00 0.00 54.97 55.42 2yt8 s GLU 20 Cb 0.24 -3.23 0.18 0.00 0.02 0.00 0.00 34.13 31.34 2yt8 s GLU 20 CO 0.57 0.66 0.46 0.00 -1.84 0.00 0.00 175.26 175.11 2yt8 n GLN 21 N 1.80 -3.15 -0.11 -4.83 10.64 -1.26 -4.93 117.38 115.54 2yt8 n GLN 21 Ca -0.12 -0.77 -0.19 0.00 -1.83 0.00 0.00 57.00 54.10 2yt8 n GLN 21 Cb 0.51 -0.92 -0.09 0.00 -0.86 0.00 0.00 30.24 28.88 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 2.50 0.00 2.61 4.77 -1.26 -5.02 117.00 120.60 2yt8 n LEU 22 Ca 0.07 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 2yt8 n LEU 22 Cb 0.30 -0.73 0.00 0.00 -2.33 0.00 0.00 43.42 40.66 2yt8 n LEU 22 CO 0.20 0.73 0.00 0.61 -1.33 0.00 0.00 177.39 177.60 2yt8 n GLY 23 N 2.13 0.58 3.66 -0.72 0.00 -1.26 -3.94 105.19 105.64 2yt8 n GLY 23 Ca -0.41 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.95 3.35 -0.20 1.61 -0.12 -1.26 0.21 117.98 120.62 2yt8 s PHE 24 Ca 0.00 0.69 -0.20 0.00 -0.05 0.00 0.00 56.93 57.37 2yt8 s PHE 24 Cb 0.00 -2.63 -0.03 0.00 -0.63 0.00 0.00 43.02 39.73 2yt8 s PHE 24 CO 0.00 -0.10 0.59 0.00 -0.05 0.00 0.00 175.22 175.65 2yt8 s VAL 26 N 1.78 3.75 -0.11 0.00 1.01 -1.26 -1.26 120.40 124.31 2yt8 s VAL 26 Ca 0.27 -0.46 -0.01 0.00 0.00 0.00 0.00 61.98 61.78 2yt8 s VAL 26 Cb -0.16 -2.54 0.03 0.00 0.00 0.00 0.00 36.38 33.71 2yt8 s VAL 26 CO 0.10 0.59 -0.05 -1.61 0.00 0.00 0.00 175.10 174.13 2yt8 s GLU 27 N -0.69 1.27 -1.22 2.72 2.02 0.41 -4.77 118.70 118.43 2yt8 s GLU 27 Ca 0.11 -0.18 0.00 0.00 0.02 0.00 0.00 54.97 54.91 2yt8 s GLU 27 Cb -0.11 -1.47 0.00 0.00 0.10 0.00 0.00 34.13 32.65 2yt8 s GLU 27 CO 0.02 -0.30 0.00 -0.25 0.02 0.00 0.00 175.26 174.75 2yt8 n ASP 28 N 4.99 -3.92 0.00 -0.19 9.92 -1.26 0.39 116.55 126.48 2yt8 n ASP 28 Ca -0.11 0.22 0.00 0.00 -0.53 0.00 0.00 54.79 54.37 2yt8 n ASP 28 Cb 0.50 -3.42 0.00 0.00 -0.64 0.00 0.00 41.12 37.55 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 -0.64 0.66 2.74 0.44 0.00 -1.26 -4.74 105.19 102.38 2yt8 n GLY 29 Ca -0.15 -0.52 -0.24 0.00 0.00 0.00 0.00 46.02 45.10 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 0.34 0.32 -0.61 1.01 0.16 -0.85 121.20 119.56 2yt8 s ILE 30 Ca 0.00 -0.07 -0.29 0.00 0.00 0.00 0.00 60.65 60.28 2yt8 s ILE 30 Cb 0.00 -0.65 -0.11 0.00 0.01 0.00 0.00 42.46 41.71 2yt8 s ILE 30 CO 0.00 0.07 1.46 -0.63 0.00 0.00 0.00 174.94 175.84 2yt8 s ILE 31 N 1.97 2.33 -0.03 2.92 1.01 -1.07 -0.44 121.20 127.89 2yt8 s ILE 31 Ca 0.03 0.30 -0.04 0.00 0.00 0.00 0.00 60.65 60.95 2yt8 s ILE 31 Cb -0.14 -3.19 -0.02 0.00 0.01 0.00 0.00 42.46 39.11 2yt8 s ILE 31 CO -0.06 0.06 -0.09 0.00 0.00 0.00 0.00 174.94 174.85 2yt8 s SER 33 N -5.76 3.13 -0.02 0.00 0.15 -1.25 -4.52 113.70 105.43 2yt8 s SER 33 Ca -0.08 -0.96 0.02 0.00 0.70 0.00 0.00 55.95 55.63 2yt8 s SER 33 Cb 0.03 -0.22 0.00 0.00 -1.71 0.00 0.00 66.02 64.11 2yt8 s SER 33 CO 0.11 -0.01 -0.08 -0.22 1.20 0.00 0.00 173.24 174.24 2yt8 s LEU 34 N -3.14 1.83 0.40 3.45 0.20 -1.26 -0.86 118.68 119.30 2yt8 s LEU 34 Ca 0.24 -0.17 -0.26 0.00 0.69 0.00 0.00 54.13 54.63 2yt8 s LEU 34 Cb -0.05 -0.49 -0.09 0.00 -0.43 0.00 0.00 46.19 45.13 2yt8 s LEU 34 CO 0.10 0.07 1.28 -0.22 -0.29 0.00 0.00 176.35 177.30 2yt8 s LEU 35 N 0.11 4.23 -0.08 -0.68 2.96 0.13 -4.95 118.68 120.40 2yt8 s LEU 35 Ca -0.01 2.62 -0.27 0.00 -0.22 0.00 0.00 54.13 56.24 2yt8 s LEU 35 Cb -0.07 -3.90 -0.02 0.00 0.50 0.00 0.00 46.19 42.70 2yt8 s LEU 35 CO 0.00 -0.80 0.87 -0.13 -1.32 0.00 0.00 176.35 174.97 2yt8 s ARG 36 N -2.21 4.43 -0.88 1.98 0.52 -1.26 -3.91 118.95 117.62 2yt8 s ARG 36 Ca 0.56 1.16 -0.01 0.00 -0.52 0.00 0.00 55.73 56.91 2yt8 s ARG 36 Cb -0.37 -3.50 0.00 0.00 0.52 0.00 0.00 34.95 31.60 2yt8 s ARG 36 CO 0.48 -0.14 0.74 0.41 0.02 0.00 0.00 175.30 176.81 2yt8 n GLY 37 N 3.14 -0.13 0.00 -3.53 0.00 -1.26 -5.03 105.19 98.39 2yt8 n GLY 37 Ca 0.04 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.21 5.08 0.10 -0.02 0.00 -1.25 -5.10 105.19 102.79 2yt8 n GLY 38 Ca -0.16 -1.74 -0.17 0.00 0.00 0.00 0.00 46.02 43.96 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 1.50 -0.30 -0.61 5.41 -1.25 -4.06 119.36 120.05 2yt8 n ILE 39 Ca 0.00 -0.03 -0.05 0.00 1.00 0.00 0.00 62.75 63.68 2yt8 n ILE 39 Cb 0.00 -2.15 -0.02 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 -3.94 -0.29 -0.23 -1.39 0.00 -1.26 0.15 120.51 113.55 2yt8 n ALA 40 Ca -0.28 0.68 -0.01 0.00 0.00 0.00 0.00 53.44 53.83 2yt8 n ALA 40 Cb 0.60 -0.21 0.10 0.00 0.00 0.00 0.00 19.45 19.94 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 0.63 0.10 0.00 4.22 -1.79 0.16 114.58 117.89 2yt8 h GLU 41 Ca 0.18 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.59 2yt8 h GLU 41 Cb 0.37 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 2yt8 h GLU 41 CO -0.71 0.42 -0.10 0.00 -2.18 0.00 0.00 179.01 176.43 2yt8 h ARG 42 N 0.65 -0.22 -0.57 1.92 3.08 0.13 -2.91 114.38 116.46 2yt8 h ARG 42 Ca 0.30 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.37 2yt8 h ARG 42 Cb 0.22 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.29 2yt8 h ARG 42 CO -0.20 -0.14 0.37 0.78 -1.07 0.00 0.00 179.97 179.71 2yt8 h GLY 43 N -0.22 0.81 0.00 0.04 0.00 -0.36 -3.46 103.07 99.87 2yt8 h GLY 43 Ca 0.01 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.02 2yt8 h GLY 43 CO -0.03 0.31 0.00 0.61 0.00 0.00 0.00 176.54 177.42 2yt8 n GLY 44 N -1.22 0.64 3.75 4.60 0.00 -0.15 -4.13 105.19 108.67 2yt8 n GLY 44 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 2yt8 n GLY 44 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2yt8 s ILE 45 N -0.68 4.30 -0.15 -0.61 -1.09 0.37 -4.84 121.20 118.51 2yt8 s ILE 45 Ca 0.00 1.94 -0.03 0.00 -2.23 0.00 0.00 60.65 60.34 2yt8 s ILE 45 Cb 0.00 -4.26 0.05 0.00 -1.58 0.00 0.00 42.46 36.67 2yt8 s ILE 45 CO 0.00 0.45 0.03 -0.13 -1.23 0.00 0.00 174.94 174.07 2yt8 s ARG 46 N -0.82 0.53 0.72 2.79 1.81 -1.26 -4.52 118.95 118.21 2yt8 s ARG 46 Ca 0.41 -0.18 -0.16 0.00 -1.72 0.00 0.00 55.73 54.08 2yt8 s ARG 46 Cb -0.24 -1.66 -0.04 0.00 -0.45 0.00 0.00 34.95 32.56 2yt8 s ARG 46 CO 0.29 -0.53 0.50 1.33 -0.68 0.00 0.00 175.30 176.22 2yt8 n VAL 47 N 5.12 1.68 0.00 3.52 0.24 -1.26 -2.86 118.33 124.78 2yt8 n VAL 47 Ca -0.08 -0.40 0.00 0.00 -2.04 0.00 0.00 64.34 61.82 2yt8 n VAL 47 Cb 0.48 -0.71 0.00 0.00 -1.47 0.00 0.00 33.84 32.14 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 1.68 2.90 3.79 7.63 0.00 0.40 -4.97 105.19 116.63 2yt8 n GLY 48 Ca 0.10 -0.41 -0.33 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.72 2.91 -0.11 1.61 3.76 -1.13 -4.76 115.29 115.85 2yt8 s HIS 49 Ca 0.00 1.54 -0.03 0.00 -0.15 0.00 0.00 55.06 56.42 2yt8 s HIS 49 Cb 0.00 -3.08 -0.03 0.00 1.11 0.00 0.00 32.58 30.58 2yt8 s HIS 49 CO 0.00 -1.16 -0.00 0.50 -0.85 0.00 0.00 174.74 173.22 2yt8 s ARG 50 N -3.74 3.23 0.18 1.40 3.52 0.41 -2.61 118.95 121.34 2yt8 s ARG 50 Ca 0.66 -0.43 -0.30 0.00 -0.13 0.00 0.00 55.73 55.53 2yt8 s ARG 50 Cb -0.18 -2.85 -0.08 0.00 -1.56 0.00 0.00 34.95 30.29 2yt8 s ARG 50 CO 0.31 0.56 0.98 0.42 -0.81 0.00 0.00 175.30 176.76 2yt8 s ILE 51 N -0.48 4.18 0.00 4.11 -1.09 -0.03 -0.74 121.20 127.15 2yt8 s ILE 51 Ca 0.08 1.99 0.00 0.00 -2.23 0.00 0.00 60.65 60.50 2yt8 s ILE 51 Cb -0.12 -4.27 0.00 0.00 -1.58 0.00 0.00 42.46 36.49 2yt8 s ILE 51 CO 0.02 0.39 0.00 2.30 -1.23 0.00 0.00 174.94 176.42 2yt8 n ILE 52 N 2.10 0.00 -3.71 2.92 -5.35 -1.06 -4.43 119.36 109.83 2yt8 n ILE 52 Ca 0.00 0.00 -0.13 0.00 -0.27 0.00 0.00 62.75 62.35 2yt8 n ILE 52 Cb 0.48 0.37 -0.07 0.00 -1.74 0.00 0.00 39.64 38.68 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 -1.65 0.83 -0.18 6.28 2.12 -1.23 -0.35 118.70 124.51 2yt8 s GLU 53 Ca 0.00 -0.31 -0.15 0.00 0.36 0.00 0.00 54.97 54.87 2yt8 s GLU 53 Cb 0.00 0.37 0.05 0.00 0.26 0.00 0.00 34.13 34.81 2yt8 s GLU 53 CO 0.00 -0.26 0.47 0.96 -0.54 0.00 0.00 175.26 175.89 2yt8 s ILE 54 N -2.06 -0.00 -0.59 -3.70 -5.25 0.17 -1.66 121.20 108.10 2yt8 s ILE 54 Ca -0.08 0.02 0.00 0.00 -0.99 0.00 0.00 60.65 59.60 2yt8 s ILE 54 Cb -0.02 -0.66 0.00 0.00 2.95 0.00 0.00 42.46 44.73 2yt8 s ILE 54 CO 0.00 0.01 0.00 0.59 -1.79 0.00 0.00 174.94 173.75 2yt8 n ASN 55 N 3.13 -2.61 -0.81 4.36 4.13 0.28 0.24 115.26 123.98 2yt8 n ASN 55 Ca -0.15 0.33 -0.03 0.00 1.68 0.00 0.00 54.58 56.41 2yt8 n ASN 55 Cb 0.57 -2.29 0.01 0.00 -1.54 0.00 0.00 39.78 36.52 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 0.76 2.82 7.41 0.00 -1.26 -4.96 105.19 109.30 2yt8 n GLY 56 Ca -0.08 -0.59 -0.15 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 -5.08 0.01 -0.09 1.61 -0.21 0.14 -5.12 119.66 110.91 2yt8 s GLN 57 Ca 0.06 0.29 -0.30 0.00 0.02 0.00 0.00 55.36 55.43 2yt8 s GLN 57 Cb -0.03 -0.24 -0.04 0.00 1.00 0.00 0.00 33.01 33.70 2yt8 s GLN 57 CO 0.08 -0.18 1.55 -1.54 -2.12 0.00 0.00 175.29 173.07 2yt8 s SER 58 N 1.23 6.73 -0.08 5.90 1.04 -1.26 -0.66 113.70 126.60 2yt8 s SER 58 Ca -0.08 2.07 0.14 0.00 0.48 0.00 0.00 55.95 58.56 2yt8 s SER 58 Cb -0.12 -2.53 0.28 0.00 0.10 0.00 0.00 66.02 63.75 2yt8 s SER 58 CO -0.04 -0.89 1.13 1.33 0.98 0.00 0.00 173.24 175.75 2yt8 n VAL 59 N 5.49 0.98 0.07 5.02 0.24 0.52 -4.74 118.33 125.91 2yt8 n VAL 59 Ca 0.16 -1.58 0.04 0.00 -2.04 0.00 0.00 64.34 60.92 2yt8 n VAL 59 Cb 0.43 0.28 0.43 0.00 -1.47 0.00 0.00 33.84 33.51 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 3.90 1.12 0.00 3.34 3.04 -1.62 -3.23 116.25 122.80 2yt8 h VAL 60 Ca -0.06 -0.39 -0.26 0.00 -1.01 0.00 0.00 66.70 64.97 2yt8 h VAL 60 Cb 1.34 0.82 -0.05 0.00 -2.01 0.00 0.00 31.29 31.39 2yt8 h VAL 60 CO 0.03 0.14 -2.00 0.00 -1.01 0.00 0.00 177.57 174.73 2yt8 n ALA 61 N -2.49 1.63 -1.43 3.17 0.00 -1.26 -4.98 120.51 115.15 2yt8 n ALA 61 Ca 0.01 -0.81 -0.49 0.00 0.00 0.00 0.00 53.44 52.15 2yt8 n ALA 61 Cb 0.14 0.05 -0.04 0.00 0.00 0.00 0.00 19.45 19.60 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 -2.88 1.67 -2.26 0.00 -1.04 -1.22 -4.87 114.28 103.68 2yt8 n THR 62 Ca -0.29 -0.42 -0.38 0.00 -2.04 0.00 0.00 64.05 60.93 2yt8 n THR 62 Cb 0.87 -0.09 -0.01 0.00 -1.82 0.00 0.00 70.33 69.28 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 -0.87 3.87 0.20 -2.82 0.04 -1.26 -4.82 135.00 129.34 2yt8 s PRO 63 Ca 0.68 1.81 -0.19 0.00 0.04 0.00 0.00 61.00 63.34 2yt8 s PRO 63 Cb -0.96 -2.52 0.16 0.00 0.04 0.00 0.00 34.50 31.22 2yt8 s PRO 63 CO 0.56 -0.47 1.58 1.25 0.04 0.00 0.00 177.00 179.97 2yt8 h HIS 64 N 2.29 -0.90 -0.83 0.56 -0.00 -1.89 -0.53 115.15 113.84 2yt8 h HIS 64 Ca -0.49 0.08 0.12 0.00 -0.00 0.00 0.00 60.37 60.08 2yt8 h HIS 64 Cb 1.24 0.49 -0.13 0.00 -0.00 0.00 0.00 27.41 29.02 2yt8 h HIS 64 CO 0.54 -0.38 -0.34 0.00 -0.00 0.00 0.00 177.93 177.75 2yt8 n ALA 65 N -3.22 -0.15 -0.12 5.26 0.00 -1.26 0.58 120.51 121.61 2yt8 n ALA 65 Ca 0.06 0.81 -0.11 0.00 0.00 0.00 0.00 53.44 54.20 2yt8 n ALA 65 Cb 0.37 -0.34 -0.03 0.00 0.00 0.00 0.00 19.45 19.45 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 0.61 -0.83 0.00 9.65 -1.51 -2.93 114.38 119.37 2yt8 h ARG 66 Ca 0.27 -0.20 0.17 0.00 -1.10 0.00 0.00 59.98 59.11 2yt8 h ARG 66 Cb 0.48 -0.05 -0.10 0.00 -1.39 0.00 0.00 29.97 28.91 2yt8 h ARG 66 CO -0.82 0.75 0.37 0.82 2.80 0.00 0.00 179.97 183.88 2yt8 h ILE 67 N 0.41 0.62 -0.04 1.20 2.04 0.11 -1.17 117.51 120.68 2yt8 h ILE 67 Ca 0.09 -0.17 -0.00 0.00 1.00 0.00 0.00 64.86 65.79 2yt8 h ILE 67 Cb 0.48 0.10 -0.00 0.00 -0.74 0.00 0.00 36.82 36.66 2yt8 h ILE 67 CO 0.02 0.09 0.02 0.40 0.00 0.00 0.00 178.15 178.68 2yt8 h ILE 68 N 0.48 1.12 -0.74 -0.67 1.08 -0.70 -1.42 117.51 116.66 2yt8 h ILE 68 Ca 0.47 -0.34 0.13 0.00 -0.39 0.00 0.00 64.86 64.73 2yt8 h ILE 68 Cb 0.76 1.28 -0.05 0.00 -3.07 0.00 0.00 36.82 35.74 2yt8 h ILE 68 CO -0.43 0.09 0.49 -0.33 -0.69 0.00 0.00 178.15 177.29 2yt8 h GLU 69 N -0.08 0.47 0.11 2.37 4.39 -1.08 -1.32 114.58 119.44 2yt8 h GLU 69 Ca 0.01 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 2yt8 h GLU 69 Cb 0.14 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 2yt8 h GLU 69 CO -0.00 0.31 -0.05 -0.07 -1.16 0.00 0.00 179.01 178.03 2yt8 h LEU 70 N 0.48 -0.13 -0.98 1.33 3.38 -0.90 -1.77 115.31 116.73 2yt8 h LEU 70 Ca 0.36 0.00 0.32 0.00 0.09 0.00 0.00 57.88 58.65 2yt8 h LEU 70 Cb 0.73 0.03 -0.17 0.00 0.09 0.00 0.00 40.66 41.34 2yt8 h LEU 70 CO -0.12 -0.01 0.29 -0.07 0.09 0.00 0.00 178.44 178.62 2yt8 h LEU 71 N -0.31 -0.04 -0.20 1.67 3.38 -1.16 0.50 115.31 119.15 2yt8 h LEU 71 Ca -0.02 0.25 -0.04 0.00 0.09 0.00 0.00 57.88 58.17 2yt8 h LEU 71 Cb 0.11 0.34 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 2yt8 h LEU 71 CO 0.02 -0.33 -0.01 0.74 0.09 0.00 0.00 178.44 178.95 2yt8 h THR 72 N 0.07 1.26 0.00 0.22 2.02 -1.32 -2.49 112.91 112.67 2yt8 h THR 72 Ca 0.69 -0.91 0.00 0.00 0.77 0.00 0.00 66.41 66.96 2yt8 h THR 72 Cb 1.61 1.47 0.00 0.00 -1.74 0.00 0.00 68.15 69.48 2yt8 h THR 72 CO -0.80 0.28 0.01 -0.62 0.37 0.00 0.00 175.52 174.76 2yt8 n GLU 73 N -4.67 0.14 -3.71 6.66 1.02 0.16 -4.38 120.64 115.85 2yt8 n GLU 73 Ca -0.04 0.64 -0.37 0.00 -0.02 0.00 0.00 57.16 57.36 2yt8 n GLU 73 Cb 0.24 -1.96 -0.12 0.00 -0.02 0.00 0.00 31.44 29.59 2yt8 n GLU 73 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2yt8 s ALA 74 N -3.54 3.30 0.31 0.62 0.00 -0.54 -5.08 121.76 116.84 2yt8 s ALA 74 Ca -0.02 -1.09 0.09 0.00 0.00 0.00 0.00 51.96 50.93 2yt8 s ALA 74 Cb 0.06 -2.20 -0.05 0.00 0.00 0.00 0.00 23.12 20.93 2yt8 s ALA 74 CO 0.19 -0.47 0.01 0.71 0.00 0.00 0.00 175.76 176.20 2yt8 s TYR 75 N 1.59 2.59 0.00 0.00 1.51 -1.26 -4.91 117.35 116.88 2yt8 s TYR 75 Ca 0.06 -0.35 0.00 0.00 -1.01 0.00 0.00 57.07 55.77 2yt8 s TYR 75 Cb -0.15 -1.38 0.00 0.00 -0.11 0.00 0.00 41.96 40.32 2yt8 s TYR 75 CO 0.06 0.52 0.00 0.41 -1.11 0.00 0.00 175.55 175.43 2yt8 n GLY 76 N -0.94 3.11 3.63 0.71 0.00 0.11 -4.66 105.19 107.16 2yt8 n GLY 76 Ca -0.05 -0.20 -0.43 0.00 0.00 0.00 0.00 46.02 45.35 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 3.85 -0.29 1.61 -6.30 -1.26 -0.73 118.70 115.59 2yt8 s GLU 77 Ca 0.00 1.39 0.02 0.00 -2.50 0.00 0.00 54.97 53.88 2yt8 s GLU 77 Cb 0.00 -3.94 0.08 0.00 0.00 0.00 0.00 34.13 30.27 2yt8 s GLU 77 CO 0.00 -1.21 -0.00 0.08 0.02 0.00 0.00 175.26 174.15 2yt8 s VAL 78 N 4.74 1.80 -0.65 3.70 1.01 -0.13 -4.94 120.40 125.93 2yt8 s VAL 78 Ca 0.62 -1.73 -0.27 0.00 0.00 0.00 0.00 61.98 60.60 2yt8 s VAL 78 Cb -0.20 -2.18 0.01 0.00 0.00 0.00 0.00 36.38 34.02 2yt8 s VAL 78 CO 0.26 -0.36 1.47 -1.00 0.00 0.00 0.00 175.10 175.47 2yt8 s HIS 79 N 1.20 2.12 -0.25 5.22 3.76 -1.26 -1.11 115.29 124.97 2yt8 s HIS 79 Ca 0.02 0.32 -0.09 0.00 -0.15 0.00 0.00 55.06 55.17 2yt8 s HIS 79 Cb -0.19 -4.42 -0.04 0.00 1.11 0.00 0.00 32.58 29.05 2yt8 s HIS 79 CO -0.10 -2.11 0.11 0.42 -0.85 0.00 0.00 174.74 172.21 2yt8 s ILE 80 N 6.70 4.68 -0.44 0.60 1.01 -0.19 -0.56 121.20 133.01 2yt8 s ILE 80 Ca 0.49 -0.05 -0.18 0.00 0.00 0.00 0.00 60.65 60.91 2yt8 s ILE 80 Cb -0.10 -3.20 0.03 0.00 0.01 0.00 0.00 42.46 39.20 2yt8 s ILE 80 CO 0.19 0.32 0.47 -0.75 0.00 0.00 0.00 174.94 175.17 2yt8 s LYS 81 N 1.56 3.10 0.04 2.79 2.20 -0.66 -1.72 119.74 127.05 2yt8 s LYS 81 Ca 0.06 -0.80 -0.07 0.00 -0.36 0.00 0.00 55.97 54.80 2yt8 s LYS 81 Cb -0.15 -3.99 -0.05 0.00 -1.51 0.00 0.00 37.83 32.12 2yt8 s LYS 81 CO 0.06 -0.92 0.32 0.95 -0.36 0.00 0.00 175.35 175.40 2yt8 s THR 82 N 2.20 5.22 -0.21 3.43 -4.23 -0.96 -2.56 115.64 118.52 2yt8 s THR 82 Ca 0.12 0.24 -0.16 0.00 -1.18 0.00 0.00 61.69 60.71 2yt8 s THR 82 Cb -0.18 -3.60 0.06 0.00 1.34 0.00 0.00 72.50 70.12 2yt8 s THR 82 CO 0.13 0.31 0.54 -0.32 -0.54 0.00 0.00 174.62 174.74 2yt8 s MET 83 N -1.91 0.60 0.04 3.99 0.00 0.08 -3.35 119.30 118.76 2yt8 s MET 83 Ca 0.31 0.85 -0.31 0.00 0.00 0.00 0.00 55.69 56.54 2yt8 s MET 83 Cb -0.13 0.21 -0.06 0.00 0.00 0.00 0.00 34.83 34.84 2yt8 s MET 83 CO 0.18 -0.11 1.42 -1.25 0.00 0.00 0.00 175.02 175.26 2yt8 s PRO 84 N 0.77 4.29 0.25 4.11 0.04 -1.26 -0.45 135.00 142.75 2yt8 s PRO 84 Ca -0.04 2.03 -0.05 0.00 0.04 0.00 0.00 61.00 62.98 2yt8 s PRO 84 Cb -0.05 -3.47 0.46 0.00 0.04 0.00 0.00 34.50 31.48 2yt8 s PRO 84 CO -0.06 -0.54 1.67 0.00 0.04 0.00 0.00 177.00 178.11 2yt8 h ALA 85 N 7.53 0.92 -0.10 8.56 0.00 -1.88 -2.46 119.26 131.83 2yt8 h ALA 85 Ca -0.40 0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.71 2yt8 h ALA 85 Cb 1.19 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 19.24 2yt8 h ALA 85 CO 0.89 -0.37 -0.17 0.00 0.00 0.00 0.00 179.25 179.60 2yt8 h ALA 86 N 1.64 -0.50 -0.58 0.00 0.00 -1.97 0.18 119.26 118.03 2yt8 h ALA 86 Ca 0.42 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.39 2yt8 h ALA 86 Cb 0.73 0.79 -0.10 0.00 0.00 0.00 0.00 17.79 19.21 2yt8 h ALA 86 CO -0.55 -0.57 -0.51 1.15 0.00 0.00 0.00 179.25 178.77 2yt8 h THR 87 N -0.15 0.04 -0.14 0.00 2.02 -1.86 -0.37 112.91 112.45 2yt8 h THR 87 Ca 0.02 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.22 2yt8 h THR 87 Cb 0.20 0.04 -0.04 0.00 -1.74 0.00 0.00 68.15 66.61 2yt8 h THR 87 CO -0.17 0.00 -0.26 0.22 0.37 0.00 0.00 175.52 175.68 2yt8 h TYR 88 N -0.26 -0.79 -1.10 3.16 5.03 -1.11 0.45 116.97 122.34 2yt8 h TYR 88 Ca 0.14 0.04 0.33 0.00 2.58 0.00 0.00 58.73 61.82 2yt8 h TYR 88 Cb 0.56 0.36 -0.13 0.00 1.55 0.00 0.00 36.73 39.07 2yt8 h TYR 88 CO -0.77 -0.24 0.68 0.00 -1.32 0.00 0.00 178.16 176.52 2yt8 h ARG 89 N -0.22 0.28 -0.03 1.82 3.08 -0.44 1.08 114.38 119.96 2yt8 h ARG 89 Ca 0.03 -0.02 -0.15 0.00 0.07 0.00 0.00 59.98 59.91 2yt8 h ARG 89 Cb 0.29 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 2yt8 h ARG 89 CO -0.25 0.19 -0.69 -0.07 -1.07 0.00 0.00 179.97 178.08 2yt8 h LEU 90 N 0.29 0.17 -0.29 3.04 3.38 0.82 -2.94 115.31 119.77 2yt8 h LEU 90 Ca 0.71 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 58.48 2yt8 h LEU 90 Cb 1.86 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 42.56 2yt8 h LEU 90 CO -0.45 0.80 -0.20 -0.07 0.09 0.00 0.00 178.44 178.61 2yt8 h LEU 91 N 0.10 0.68 -2.42 1.67 3.38 0.56 -2.90 115.31 116.37 2yt8 h LEU 91 Ca -0.01 -0.44 -0.08 0.00 0.09 0.00 0.00 57.88 57.44 2yt8 h LEU 91 Cb 1.22 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.73 2yt8 h LEU 91 CO 0.10 0.97 0.10 0.35 0.09 0.00 0.00 178.44 180.05 2yt8 n THR 92 N -4.35 1.52 -1.93 0.22 -2.24 -0.32 -4.91 114.28 102.26 2yt8 n THR 92 Ca -0.04 -0.72 -0.43 0.00 -2.27 0.00 0.00 64.05 60.60 2yt8 n THR 92 Cb 0.41 -0.52 -0.03 0.00 -2.10 0.00 0.00 70.33 68.09 2yt8 n THR 92 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2yt8 s GLY 93 N -0.24 1.20 0.00 3.38 0.00 -1.10 -5.03 107.32 105.53 2yt8 s GLY 93 Ca 0.25 0.75 0.00 0.00 0.00 0.00 0.00 44.72 45.73 2yt8 s GLY 93 CO 0.06 3.22 0.52 0.61 0.00 0.00 0.00 173.10 177.52