#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x0g s VAL 2 N 0.00 3.99 -0.02 2.03 1.01 -1.26 -5.01 120.40 121.13 1x0g s VAL 2 Ca 0.00 1.87 0.04 0.00 0.00 0.00 0.00 61.98 63.88 1x0g s VAL 2 Cb 0.00 -4.19 -0.00 0.00 0.00 0.00 0.00 36.38 32.19 1x0g s VAL 2 CO 0.00 0.39 -0.13 -0.70 0.00 0.00 0.00 175.10 174.66 1x0g s GLU 3 N -0.84 1.24 -0.21 2.72 2.12 -1.26 -5.10 118.70 117.37 1x0g s GLU 3 Ca 0.45 -0.45 0.02 0.00 0.36 0.00 0.00 54.97 55.34 1x0g s GLU 3 Cb -0.27 -1.14 0.04 0.00 0.26 0.00 0.00 34.13 33.01 1x0g s GLU 3 CO 0.34 0.22 -0.15 -0.51 -0.54 0.00 0.00 175.26 174.61 1x0g s LEU 4 N -0.04 2.57 0.89 2.70 1.43 -1.26 -5.12 118.68 119.85 1x0g s LEU 4 Ca -0.00 -0.93 -0.12 0.00 -1.03 0.00 0.00 54.13 52.05 1x0g s LEU 4 Cb -0.08 -1.46 0.09 0.00 0.03 0.00 0.00 46.19 44.77 1x0g s LEU 4 CO 0.01 -0.09 0.89 0.35 0.23 0.00 0.00 176.35 177.74 1x0g n THR 5 N 4.57 0.62 -0.35 5.49 -2.24 -1.26 -4.76 114.28 116.35 1x0g n THR 5 Ca -0.18 -0.14 0.08 0.00 -2.27 0.00 0.00 64.05 61.54 1x0g n THR 5 Cb 0.47 -0.91 0.26 0.00 -2.10 0.00 0.00 70.33 68.04 1x0g n THR 5 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1x0g h PRO 6 N -1.45 0.94 -0.47 -0.78 0.11 -2.00 -1.32 132.00 127.03 1x0g h PRO 6 Ca -0.44 -0.06 0.08 0.00 0.11 0.00 0.00 66.00 65.69 1x0g h PRO 6 Cb 1.29 -0.21 -0.03 0.00 0.11 0.00 0.00 31.00 32.16 1x0g h PRO 6 CO 0.40 0.62 0.32 0.00 -0.21 0.00 0.00 178.00 179.13 1x0g h ALA 7 N 1.54 2.04 0.00 -0.75 0.00 -2.00 -1.55 119.26 118.54 1x0g h ALA 7 Ca 0.48 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 55.23 1x0g h ALA 7 Cb 0.50 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1x0g h ALA 7 CO -0.25 -0.14 -1.11 0.00 0.00 0.00 0.00 179.25 177.76 1x0g h ALA 8 N 1.76 0.64 -0.34 0.00 0.00 -1.61 -2.85 119.26 116.85 1x0g h ALA 8 Ca 0.21 -0.74 -0.11 0.00 0.00 0.00 0.00 54.91 54.27 1x0g h ALA 8 Cb 0.44 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1x0g h ALA 8 CO -0.05 0.87 -0.24 0.82 0.00 0.00 0.00 179.25 180.65 1x0g h ILE 9 N 0.00 1.27 -0.00 0.00 5.03 -0.49 -1.85 117.51 121.47 1x0g h ILE 9 Ca -0.11 -1.33 -0.25 0.00 -0.12 0.00 0.00 64.86 63.05 1x0g h ILE 9 Cb 1.55 1.27 0.01 0.00 -3.03 0.00 0.00 36.82 36.62 1x0g h ILE 9 CO 0.06 0.44 -1.00 1.56 -0.68 0.00 0.00 178.15 178.53 1x0g h GLN 10 N 0.60 0.57 0.00 2.37 1.08 -1.36 0.47 115.11 118.85 1x0g h GLN 10 Ca 0.08 -0.62 -0.03 0.00 -1.45 0.00 0.00 58.65 56.63 1x0g h GLN 10 Cb 0.73 0.18 -0.00 0.00 -0.05 0.00 0.00 27.48 28.33 1x0g h GLN 10 CO 0.06 1.23 -0.15 1.49 -0.95 0.00 0.00 178.83 180.51 1x0g h GLU 11 N 0.32 0.00 0.13 1.46 4.57 -1.45 -0.31 114.58 119.29 1x0g h GLU 11 Ca -0.11 0.00 -0.26 0.00 -1.18 0.00 0.00 59.36 57.82 1x0g h GLU 11 Cb 1.64 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.24 1x0g h GLU 11 CO 0.19 0.15 -1.27 -0.07 -1.18 0.00 0.00 179.01 176.83 1x0g h LEU 12 N 0.00 0.42 -0.69 1.64 3.38 -0.55 -3.04 115.31 116.47 1x0g h LEU 12 Ca -0.00 -0.88 0.10 0.00 0.09 0.00 0.00 57.88 57.18 1x0g h LEU 12 Cb 0.49 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 41.03 1x0g h LEU 12 CO 0.02 1.57 0.33 -0.33 0.09 0.00 0.00 178.44 180.12 1x0g h GLU 13 N -0.30 0.54 -0.02 1.13 5.08 0.03 0.49 114.58 121.52 1x0g h GLU 13 Ca -0.26 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 1x0g h GLU 13 Cb 1.75 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.87 1x0g h GLU 13 CO 0.09 0.36 -0.05 -0.09 -1.00 0.00 0.00 179.01 178.32 1x0g h ARG 14 N 0.56 -0.05 -0.77 2.33 2.43 -1.15 -2.68 114.38 115.04 1x0g h ARG 14 Ca 0.35 0.00 0.18 0.00 -0.81 0.00 0.00 59.98 59.70 1x0g h ARG 14 Cb 0.39 0.01 -0.13 0.00 -0.42 0.00 0.00 29.97 29.82 1x0g h ARG 14 CO -0.28 -0.03 0.11 -0.07 -1.51 0.00 0.00 179.97 178.19 1x0g h LEU 15 N -0.05 -0.15 -1.72 3.80 3.38 -1.28 -2.35 115.31 116.94 1x0g h LEU 15 Ca 0.00 0.18 -0.03 0.00 0.09 0.00 0.00 57.88 58.12 1x0g h LEU 15 Cb 0.06 0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 1x0g h LEU 15 CO -0.05 -0.13 -0.15 -0.61 0.09 0.00 0.00 178.44 177.60 1x0g h GLN 16 N 0.18 0.00 0.00 1.13 4.15 -0.59 -0.66 115.11 119.33 1x0g h GLN 16 Ca 0.44 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.86 1x0g h GLN 16 Cb 0.81 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.50 1x0g h GLN 16 CO -0.61 0.15 0.00 0.25 -1.93 0.00 0.00 178.83 176.69 1x0g n THR 17 N -4.32 0.00 1.38 2.39 -2.24 -0.89 -5.11 114.28 105.49 1x0g n THR 17 Ca -0.03 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.89 1x0g n THR 17 Cb 0.22 -0.44 0.53 0.00 -2.10 0.00 0.00 70.33 68.54 1x0g n THR 17 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1x0g n HIS 18 N -0.91 0.00 0.00 4.78 8.25 -0.26 -5.13 115.22 121.94 1x0g n HIS 18 Ca 0.19 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.65 1x0g n HIS 18 Cb 0.09 -0.13 0.00 0.00 1.12 0.00 0.00 29.99 31.06 1x0g n HIS 18 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1x0g n ALA 25 N -0.73 -0.95 0.05 -1.41 0.00 -1.26 -4.87 120.51 111.35 1x0g n ALA 25 Ca 0.15 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.55 1x0g n ALA 25 Cb 0.30 0.00 0.14 0.00 0.00 0.00 0.00 19.45 19.89 1x0g n ALA 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x0g n ALA 26 N 0.00 3.51 -1.99 0.00 0.00 -1.26 -5.00 120.51 115.78 1x0g n ALA 26 Ca 0.00 -1.10 -0.43 0.00 0.00 0.00 0.00 53.44 51.91 1x0g n ALA 26 Cb 0.00 -1.13 -0.03 0.00 0.00 0.00 0.00 19.45 18.30 1x0g n ALA 26 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1x0g s ILE 27 N -1.69 3.48 -0.17 0.00 2.07 -1.26 -4.97 121.20 118.66 1x0g s ILE 27 Ca 0.26 0.50 -0.29 0.00 -1.41 0.00 0.00 60.65 59.71 1x0g s ILE 27 Cb 0.21 -3.60 -0.01 0.00 0.13 0.00 0.00 42.46 39.19 1x0g s ILE 27 CO 0.06 -0.34 1.25 -0.22 -1.91 0.00 0.00 174.94 173.78 1x0g s LEU 28 N 6.51 4.17 -0.06 8.50 2.96 -1.26 -5.06 118.68 134.45 1x0g s LEU 28 Ca 0.80 1.66 0.04 0.00 -0.22 0.00 0.00 54.13 56.41 1x0g s LEU 28 Cb -0.24 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 42.89 1x0g s LEU 28 CO 0.33 -0.76 -0.18 -0.60 -1.32 0.00 0.00 176.35 173.82 1x0g s ARG 29 N 3.49 2.56 -0.02 1.98 3.52 -1.26 -5.11 118.95 124.11 1x0g s ARG 29 Ca 0.54 -0.78 0.07 0.00 -0.13 0.00 0.00 55.73 55.43 1x0g s ARG 29 Cb -0.21 -2.31 -0.02 0.00 -1.56 0.00 0.00 34.95 30.86 1x0g s ARG 29 CO 0.14 0.51 -0.23 0.42 -0.81 0.00 0.00 175.30 175.33 1x0g s ILE 30 N -0.44 1.82 0.12 4.11 1.01 -1.26 -5.13 121.20 121.43 1x0g s ILE 30 Ca 0.05 -0.97 -0.01 0.00 0.00 0.00 0.00 60.65 59.72 1x0g s ILE 30 Cb -0.12 -1.52 -0.04 0.00 0.01 0.00 0.00 42.46 40.79 1x0g s ILE 30 CO 0.02 0.51 0.04 0.00 0.00 0.00 0.00 174.94 175.51 1x0g s GLN 31 N -0.45 0.89 0.20 2.79 -2.07 -1.26 -5.17 119.66 114.58 1x0g s GLN 31 Ca 0.06 -1.41 0.10 0.00 -1.82 0.00 0.00 55.36 52.29 1x0g s GLN 31 Cb -0.10 0.24 -0.04 0.00 -1.09 0.00 0.00 33.01 32.02 1x0g s GLN 31 CO -0.00 -0.24 -0.14 0.14 -1.32 0.00 0.00 175.29 173.73 1x0g s VAL 32 N -4.03 2.92 0.04 3.63 -7.23 -1.26 -5.14 120.40 109.34 1x0g s VAL 32 Ca 0.22 -1.83 0.04 0.00 -1.81 0.00 0.00 61.98 58.59 1x0g s VAL 32 Cb 0.08 -2.45 -0.02 0.00 0.56 0.00 0.00 36.38 34.54 1x0g s VAL 32 CO 0.00 -0.15 -0.11 0.00 -0.31 0.00 0.00 175.10 174.53 1x0g s GLN 33 N -2.89 0.71 0.34 4.82 -2.07 -1.26 -5.13 119.66 114.19 1x0g s GLN 33 Ca 0.24 -0.72 -0.29 0.00 -1.82 0.00 0.00 55.36 52.78 1x0g s GLN 33 Cb -0.08 -0.64 -0.12 0.00 -1.09 0.00 0.00 33.01 31.08 1x0g s GLN 33 CO 0.14 0.15 1.44 -2.30 -1.32 0.00 0.00 175.29 173.40 1x0g n PRO 34 N 1.79 2.46 -0.95 9.60 -0.02 -1.26 -4.97 135.00 141.65 1x0g n PRO 34 Ca -0.19 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 1x0g n PRO 34 Cb 0.55 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 1x0g n PRO 34 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1x0g n SER 35 N 1.04 0.00 -4.02 2.55 2.88 -1.26 -5.18 113.62 109.64 1x0g n SER 35 Ca 0.05 -0.69 -0.11 0.00 -1.33 0.00 0.00 58.87 56.79 1x0g n SER 35 Cb 0.37 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.72 1x0g n SER 35 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1x0g s GLU 36 N -1.06 0.41 0.33 -1.46 8.01 -1.26 -5.16 118.70 118.51 1x0g s GLU 36 Ca 0.00 -0.67 -0.02 0.00 0.01 0.00 0.00 54.97 54.29 1x0g s GLU 36 Cb 0.00 -0.07 -0.00 0.00 -4.31 0.00 0.00 34.13 29.74 1x0g s GLU 36 CO 0.00 -0.00 0.44 0.00 0.01 0.00 0.00 175.26 175.70 1x0g s GLY 38 N -3.24 2.70 -0.03 0.00 0.00 -1.26 -5.05 107.32 100.44 1x0g s GLY 38 Ca 0.32 0.85 -0.14 0.00 0.00 0.00 0.00 44.72 45.74 1x0g s GLY 38 CO 0.20 1.25 0.31 -0.35 0.00 0.00 0.00 173.10 174.52 1x0g s ASP 39 N -1.58 -0.22 -0.17 1.64 3.68 -1.26 -5.13 116.67 113.63 1x0g s ASP 39 Ca 0.67 0.18 -0.18 0.00 2.13 0.00 0.00 52.55 55.35 1x0g s ASP 39 Cb -0.25 0.37 -0.04 0.00 -1.45 0.00 0.00 42.92 41.55 1x0g s ASP 39 CO 0.30 -0.39 0.49 0.26 0.13 0.00 0.00 175.17 175.95 1x0g s TRP 40 N -1.08 3.43 -0.12 -5.34 0.52 -1.26 -5.02 118.94 110.06 1x0g s TRP 40 Ca -0.11 0.80 -0.24 0.00 0.02 0.00 0.00 56.10 56.56 1x0g s TRP 40 Cb -0.05 -2.61 -0.03 0.00 -1.15 0.00 0.00 33.47 29.64 1x0g s TRP 40 CO 0.04 0.01 0.76 0.50 0.02 0.00 0.00 176.95 178.28 1x0g s ARG 41 N 1.21 4.36 -0.33 4.98 3.52 -1.26 -5.03 118.95 126.40 1x0g s ARG 41 Ca 0.24 0.94 -0.27 0.00 -0.13 0.00 0.00 55.73 56.51 1x0g s ARG 41 Cb -0.15 -3.51 0.01 0.00 -1.56 0.00 0.00 34.95 29.74 1x0g s ARG 41 CO 0.10 -0.13 0.96 0.71 -0.81 0.00 0.00 175.30 176.13 1x0g s TYR 42 N 1.46 3.14 -0.47 5.12 1.51 -1.26 -5.02 117.35 121.84 1x0g s TYR 42 Ca 0.38 0.98 -0.21 0.00 -1.01 0.00 0.00 57.07 57.21 1x0g s TYR 42 Cb -0.17 -3.56 0.03 0.00 -0.11 0.00 0.00 41.96 38.15 1x0g s TYR 42 CO 0.16 -0.73 0.66 -0.51 -1.11 0.00 0.00 175.55 174.02 1x0g s ASP 43 N 1.71 6.29 0.05 2.29 1.01 -1.26 -5.05 116.67 121.71 1x0g s ASP 43 Ca 0.40 -0.50 -0.16 0.00 0.71 0.00 0.00 52.55 53.00 1x0g s ASP 43 Cb -0.13 -2.32 -0.06 0.00 1.01 0.00 0.00 42.92 41.42 1x0g s ASP 43 CO 0.16 -0.85 0.48 -0.76 0.21 0.00 0.00 175.17 174.40 1x0g s LEU 44 N 2.87 4.46 0.07 1.23 1.43 -1.26 -5.09 118.68 122.40 1x0g s LEU 44 Ca 0.21 1.07 -0.04 0.00 -1.03 0.00 0.00 54.13 54.33 1x0g s LEU 44 Cb -0.15 -2.82 -0.02 0.00 0.03 0.00 0.00 46.19 43.23 1x0g s LEU 44 CO 0.17 0.27 0.07 0.00 0.23 0.00 0.00 176.35 177.08 1x0g s ALA 45 N -1.17 0.20 -0.12 4.21 0.00 -1.26 -5.14 121.76 118.47 1x0g s ALA 45 Ca 0.28 -0.96 -0.02 0.00 0.00 0.00 0.00 51.96 51.26 1x0g s ALA 45 Cb -0.17 0.37 -0.03 0.00 0.00 0.00 0.00 23.12 23.29 1x0g s ALA 45 CO 0.16 -0.43 -0.05 -0.51 0.00 0.00 0.00 175.76 174.94 1x0g s LEU 46 N -2.90 3.24 0.19 0.00 1.43 -1.26 -5.07 118.68 114.32 1x0g s LEU 46 Ca 0.06 -0.08 -0.05 0.00 -1.03 0.00 0.00 54.13 53.03 1x0g s LEU 46 Cb 0.07 -1.75 -0.03 0.00 0.03 0.00 0.00 46.19 44.51 1x0g s LEU 46 CO -0.10 0.24 0.23 0.68 0.23 0.00 0.00 176.35 177.63 1x0g s VAL 47 N -0.09 0.03 -0.14 -1.59 -7.23 -1.26 -5.07 120.40 105.05 1x0g s VAL 47 Ca 0.02 -1.73 -0.18 0.00 -1.81 0.00 0.00 61.98 58.27 1x0g s VAL 47 Cb -0.13 -2.24 -0.16 0.00 0.56 0.00 0.00 36.38 34.41 1x0g s VAL 47 CO 0.03 -0.12 0.41 0.00 -0.31 0.00 0.00 175.10 175.10 1x0g h ALA 48 N 2.55 0.03 -2.84 1.32 0.00 -2.05 -3.45 119.26 114.82 1x0g h ALA 48 Ca -0.33 -0.43 -0.57 0.00 0.00 0.00 0.00 54.91 53.58 1x0g h ALA 48 Cb 1.24 0.12 -0.17 0.00 0.00 0.00 0.00 17.79 18.98 1x0g h ALA 48 CO 0.49 0.12 -0.79 -1.21 0.00 0.00 0.00 179.25 177.86 1x0g s GLU 49 N -2.03 1.42 0.83 0.00 8.01 -1.26 -5.16 118.70 120.51 1x0g s GLU 49 Ca -0.14 -1.52 -0.12 0.00 0.01 0.00 0.00 54.97 53.21 1x0g s GLU 49 Cb -0.01 -1.55 0.09 0.00 -4.31 0.00 0.00 34.13 28.35 1x0g s GLU 49 CO 0.44 0.31 1.10 -1.25 0.01 0.00 0.00 175.26 175.87 1x0g s PRO 50 N -2.93 1.80 0.45 0.39 0.04 -1.26 -5.08 135.00 128.40 1x0g s PRO 50 Ca 0.20 0.62 -0.22 0.00 0.04 0.00 0.00 61.00 61.64 1x0g s PRO 50 Cb -0.06 -1.89 -0.08 0.00 0.04 0.00 0.00 34.50 32.51 1x0g s PRO 50 CO 0.09 -1.81 1.07 0.15 0.04 0.00 0.00 177.00 176.54 1x0g s LYS 51 N -5.13 3.92 0.39 4.56 1.02 -1.26 -4.93 119.74 118.30 1x0g s LYS 51 Ca 0.62 1.52 0.28 0.00 0.02 0.00 0.00 55.97 58.41 1x0g s LYS 51 Cb -0.15 -2.34 1.33 0.00 -0.52 0.00 0.00 37.83 36.15 1x0g s LYS 51 CO 0.55 -0.36 1.84 -1.00 -0.92 0.00 0.00 175.35 175.46 1x0g h PRO 52 N 2.03 0.00 -0.00 -1.68 0.13 -2.02 -1.66 132.00 128.79 1x0g h PRO 52 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1x0g h PRO 52 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1x0g h PRO 52 CO 0.60 0.00 -0.25 0.25 -0.23 0.00 0.00 178.00 178.37 1x0g n THR 53 N -2.52 0.00 -1.61 1.56 -2.24 -1.26 -4.96 114.28 103.26 1x0g n THR 53 Ca -0.00 -0.07 -0.30 0.00 -2.27 0.00 0.00 64.05 61.41 1x0g n THR 53 Cb 0.15 0.15 0.08 0.00 -2.10 0.00 0.00 70.33 68.62 1x0g n THR 53 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1x0g s ASP 54 N -2.65 4.61 -0.22 3.42 1.01 -0.63 -4.15 116.67 118.07 1x0g s ASP 54 Ca 0.22 1.27 -0.15 0.00 0.71 0.00 0.00 52.55 54.60 1x0g s ASP 54 Cb 0.19 -2.00 -0.04 0.00 1.01 0.00 0.00 42.92 42.07 1x0g s ASP 54 CO 0.55 -1.89 0.35 -0.22 0.21 0.00 0.00 175.17 174.18 1x0g s LEU 55 N -5.72 4.13 -0.11 1.23 2.96 -0.29 -4.88 118.68 116.01 1x0g s LEU 55 Ca 0.60 0.41 -0.14 0.00 -0.22 0.00 0.00 54.13 54.79 1x0g s LEU 55 Cb -0.14 -2.43 -0.05 0.00 0.50 0.00 0.00 46.19 44.07 1x0g s LEU 55 CO 0.54 -0.07 0.32 -0.76 -1.32 0.00 0.00 176.35 175.06 1x0g s LEU 56 N 1.37 4.32 0.00 -0.68 1.43 -1.26 -0.30 118.68 123.56 1x0g s LEU 56 Ca 0.16 0.65 0.00 0.00 -1.03 0.00 0.00 54.13 53.91 1x0g s LEU 56 Cb -0.15 -2.42 0.00 0.00 0.03 0.00 0.00 46.19 43.65 1x0g s LEU 56 CO 0.08 0.19 0.00 0.35 0.23 0.00 0.00 176.35 177.19 1x0g n THR 57 N 2.93 0.00 -3.64 5.49 -2.24 -0.56 -5.01 114.28 111.25 1x0g n THR 57 Ca -0.13 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.57 1x0g n THR 57 Cb 0.52 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.68 1x0g n THR 57 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1x0g s GLN 58 N 0.94 0.59 -0.12 -0.78 -0.21 -1.26 -2.68 119.66 116.14 1x0g s GLN 58 Ca 0.00 0.80 -0.03 0.00 0.02 0.00 0.00 55.36 56.15 1x0g s GLN 58 Cb 0.00 0.23 0.04 0.00 1.00 0.00 0.00 33.01 34.29 1x0g s GLN 58 CO 0.00 -0.09 0.04 0.45 -2.12 0.00 0.00 175.29 173.58 1x0g s SER 59 N 0.71 2.03 -1.40 5.90 0.15 -1.08 -4.89 113.70 115.12 1x0g s SER 59 Ca -0.02 -0.38 -0.01 0.00 0.70 0.00 0.00 55.95 56.25 1x0g s SER 59 Cb -0.05 -0.37 0.00 0.00 -1.71 0.00 0.00 66.02 63.89 1x0g s SER 59 CO -0.09 -0.27 0.41 0.00 1.20 0.00 0.00 173.24 174.49 1x0g n GLN 60 N 5.19 -3.10 -0.94 5.44 6.02 -1.26 -1.37 117.38 127.35 1x0g n GLN 60 Ca -0.07 0.39 0.00 0.00 -0.01 0.00 0.00 57.00 57.31 1x0g n GLN 60 Cb 0.49 -4.46 0.00 0.00 1.02 0.00 0.00 30.24 27.29 1x0g n GLN 60 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1x0g n GLY 61 N -2.01 0.75 3.70 1.08 0.00 -1.26 -4.99 105.19 102.47 1x0g n GLY 61 Ca -0.31 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.33 1x0g n GLY 61 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1x0g s TRP 62 N -2.96 3.47 0.17 1.61 0.52 -0.47 -5.08 118.94 116.19 1x0g s TRP 62 Ca 0.00 0.89 -0.30 0.00 0.02 0.00 0.00 56.10 56.71 1x0g s TRP 62 Cb 0.00 -2.62 -0.08 0.00 -1.15 0.00 0.00 33.47 29.62 1x0g s TRP 62 CO 0.00 0.06 1.23 0.99 0.02 0.00 0.00 176.95 179.25 1x0g s THR 63 N 1.01 3.54 -0.19 2.01 2.01 -1.26 -2.62 115.64 120.13 1x0g s THR 63 Ca 0.27 1.25 0.00 0.00 0.31 0.00 0.00 61.69 63.52 1x0g s THR 63 Cb -0.15 -3.80 0.04 0.00 0.01 0.00 0.00 72.50 68.60 1x0g s THR 63 CO 0.11 0.18 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.51 1x0g s ILE 64 N 0.17 1.42 -0.13 1.82 1.01 -1.09 -4.99 121.20 119.40 1x0g s ILE 64 Ca 0.55 -0.89 -0.09 0.00 0.00 0.00 0.00 60.65 60.21 1x0g s ILE 64 Cb -0.33 -1.56 -0.05 0.00 0.01 0.00 0.00 42.46 40.53 1x0g s ILE 64 CO 0.36 0.11 0.19 0.00 0.00 0.00 0.00 174.94 175.60 1x0g s ALA 65 N 1.49 3.78 -0.09 9.38 0.00 -1.26 -1.50 121.76 133.56 1x0g s ALA 65 Ca -0.01 -0.58 0.01 0.00 0.00 0.00 0.00 51.96 51.38 1x0g s ALA 65 Cb -0.16 -2.12 -0.02 0.00 0.00 0.00 0.00 23.12 20.82 1x0g s ALA 65 CO -0.08 0.43 -0.12 0.42 0.00 0.00 0.00 175.76 176.42 1x0g s ILE 66 N -0.53 3.23 0.23 0.00 1.01 0.59 -4.95 121.20 120.78 1x0g s ILE 66 Ca 0.15 -0.63 -0.32 0.00 0.00 0.00 0.00 60.65 59.85 1x0g s ILE 66 Cb -0.12 -2.32 -0.13 0.00 0.01 0.00 0.00 42.46 39.89 1x0g s ILE 66 CO 0.04 0.56 1.44 0.00 0.00 0.00 0.00 174.94 176.98 1x0g n ALA 67 N 2.88 1.18 -0.35 9.38 0.00 -1.26 -1.14 120.51 131.20 1x0g n ALA 67 Ca -0.18 0.42 0.04 0.00 0.00 0.00 0.00 53.44 53.72 1x0g n ALA 67 Cb 0.53 -2.29 0.12 0.00 0.00 0.00 0.00 19.45 17.80 1x0g n ALA 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x0g h ALA 68 N 4.52 0.56 0.00 0.00 0.00 -1.92 -1.70 119.26 120.73 1x0g h ALA 68 Ca -0.45 0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1x0g h ALA 68 Cb 1.27 0.78 -0.01 0.00 0.00 0.00 0.00 17.79 19.83 1x0g h ALA 68 CO 0.78 -0.42 -0.35 0.93 0.00 0.00 0.00 179.25 180.19 1x0g h GLU 69 N -0.00 0.00 0.00 0.00 3.07 -1.94 -2.94 114.58 112.77 1x0g h GLU 69 Ca 0.45 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.31 1x0g h GLU 69 Cb 0.69 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.60 1x0g h GLU 69 CO -1.00 0.35 0.00 0.00 -1.40 0.00 0.00 179.01 176.96 1x0g n ALA 70 N -2.32 2.09 0.07 3.43 0.00 -0.64 -4.23 120.51 118.90 1x0g n ALA 70 Ca -0.01 -0.09 -0.13 0.00 0.00 0.00 0.00 53.44 53.21 1x0g n ALA 70 Cb 0.46 -1.37 -0.09 0.00 0.00 0.00 0.00 19.45 18.46 1x0g n ALA 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x0g h ALA 71 N 2.90 -0.17 -0.47 0.00 0.00 -1.55 0.11 119.26 120.07 1x0g h ALA 71 Ca 0.00 -0.17 0.10 0.00 0.00 0.00 0.00 54.91 54.83 1x0g h ALA 71 Cb 0.32 0.07 -0.09 0.00 0.00 0.00 0.00 17.79 18.08 1x0g h ALA 71 CO 0.00 -0.43 -0.16 1.49 0.00 0.00 0.00 179.25 180.16 1x0g h GLU 72 N -0.51 -0.04 0.00 0.00 4.81 -1.83 -0.36 114.58 116.66 1x0g h GLU 72 Ca -0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1x0g h GLU 72 Cb 0.40 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.79 1x0g h GLU 72 CO 0.03 -0.03 0.00 -0.07 -0.73 0.00 0.00 179.01 178.21 1x0g h LEU 73 N -0.05 0.00 0.00 1.64 3.38 -1.69 -3.25 115.31 115.34 1x0g h LEU 73 Ca 0.23 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 58.01 1x0g h LEU 73 Cb 0.40 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 1x0g h LEU 73 CO -0.51 0.00 -2.10 0.18 0.09 0.00 0.00 178.44 176.10 1x0g n LEU 74 N -3.03 0.11 -2.85 1.67 4.77 0.36 -4.78 117.00 113.24 1x0g n LEU 74 Ca 0.00 0.05 -0.39 0.00 -0.03 0.00 0.00 56.01 55.63 1x0g n LEU 74 Cb 0.26 0.23 -0.06 0.00 -2.33 0.00 0.00 43.42 41.53 1x0g n LEU 74 CO 0.25 0.24 0.53 -1.14 -1.33 0.00 0.00 177.39 175.94 1x0g n ARG 75 N -2.56 0.00 -0.66 3.23 0.63 -0.23 -0.08 116.66 116.99 1x0g n ARG 75 Ca -0.18 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.75 1x0g n ARG 75 Cb 0.87 -0.93 0.00 0.00 0.45 0.00 0.00 32.46 32.85 1x0g n ARG 75 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1x0g n GLY 76 N 1.68 0.91 3.66 5.14 0.00 -1.26 -4.72 105.19 110.60 1x0g n GLY 76 Ca 0.16 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.71 1x0g n GLY 76 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1x0g n LEU 77 N 0.00 2.92 -4.34 0.99 7.94 0.88 -4.42 117.00 120.97 1x0g n LEU 77 Ca 0.00 1.09 -0.33 0.00 -1.11 0.00 0.00 56.01 55.66 1x0g n LEU 77 Cb 0.00 -1.40 -0.15 0.00 0.53 0.00 0.00 43.42 42.40 1x0g n LEU 77 CO 0.00 -0.40 -0.47 -0.60 -1.11 0.00 0.00 177.39 174.82 1x0g s ARG 78 N 0.75 3.33 -0.30 1.96 3.52 -0.64 -5.01 118.95 122.56 1x0g s ARG 78 Ca 0.79 -0.72 -0.04 0.00 -0.13 0.00 0.00 55.73 55.63 1x0g s ARG 78 Cb -0.71 -2.58 0.04 0.00 -1.56 0.00 0.00 34.95 30.14 1x0g s ARG 78 CO 0.40 0.20 0.03 0.08 -0.81 0.00 0.00 175.30 175.19 1x0g s VAL 79 N 0.37 3.32 0.52 7.11 1.01 -1.26 -2.03 120.40 129.43 1x0g s VAL 79 Ca -0.12 -1.14 0.08 0.00 0.00 0.00 0.00 61.98 60.80 1x0g s VAL 79 Cb -0.16 -2.82 0.04 0.00 0.00 0.00 0.00 36.38 33.43 1x0g s VAL 79 CO 0.06 -0.03 0.54 -0.62 0.00 0.00 0.00 175.10 175.05 1x0g s ASP 80 N 1.34 4.96 -0.05 3.32 2.15 0.16 -4.94 116.67 123.62 1x0g s ASP 80 Ca -0.02 -0.94 -0.02 0.00 0.43 0.00 0.00 52.55 52.00 1x0g s ASP 80 Cb -0.19 0.08 0.03 0.00 -0.30 0.00 0.00 42.92 42.54 1x0g s ASP 80 CO -0.00 -1.06 0.10 -0.47 -0.17 0.00 0.00 175.17 173.57 1x0g s TYR 81 N -2.64 -0.10 0.01 -5.34 5.04 -1.26 0.78 117.35 113.84 1x0g s TYR 81 Ca 0.48 0.34 0.00 0.00 -2.44 0.00 0.00 57.07 55.46 1x0g s TYR 81 Cb -0.04 -0.10 -0.01 0.00 0.35 0.00 0.00 41.96 42.16 1x0g s TYR 81 CO 0.30 -0.12 -0.02 0.42 -1.34 0.00 0.00 175.55 174.79 1x0g s ILE 82 N 0.94 0.09 -0.32 3.14 1.01 -0.23 -4.91 121.20 120.92 1x0g s ILE 82 Ca -0.07 -0.28 -0.11 0.00 0.00 0.00 0.00 60.65 60.18 1x0g s ILE 82 Cb -0.10 -0.13 -0.01 0.00 0.01 0.00 0.00 42.46 42.23 1x0g s ILE 82 CO -0.04 -0.12 0.18 -0.70 0.00 0.00 0.00 174.94 174.26 1x0g s GLU 83 N -0.43 3.36 0.00 2.79 2.12 -1.26 -1.70 118.70 123.58 1x0g s GLU 83 Ca -0.04 -0.71 0.00 0.00 0.36 0.00 0.00 54.97 54.58 1x0g s GLU 83 Cb -0.03 -3.65 0.00 0.00 0.26 0.00 0.00 34.13 30.71 1x0g s GLU 83 CO -0.00 -0.44 0.00 -0.40 -0.54 0.00 0.00 175.26 173.88 1x0g n ASP 84 N 5.02 1.26 0.23 -1.70 5.75 -0.58 -4.88 116.55 121.65 1x0g n ASP 84 Ca -0.13 0.00 0.11 0.00 -0.01 0.00 0.00 54.79 54.76 1x0g n ASP 84 Cb 0.49 0.00 0.53 0.00 -1.03 0.00 0.00 41.12 41.11 1x0g n ASP 84 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 1x0g h LEU 85 N 0.00 0.00 -0.02 -2.12 3.38 -2.04 0.98 115.31 115.49 1x0g h LEU 85 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1x0g h LEU 85 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1x0g h LEU 85 CO 0.00 0.19 -0.01 0.23 0.09 0.00 0.00 178.44 178.94 1x0g n MET 86 N -3.41 0.46 0.00 1.13 2.81 -1.26 -5.03 117.12 111.82 1x0g n MET 86 Ca -0.00 -0.02 0.00 0.00 -1.81 0.00 0.00 57.70 55.86 1x0g n MET 86 Cb 0.39 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.40 1x0g n MET 86 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1x0g n GLY 87 N 1.28 -1.53 3.84 3.03 0.00 0.34 -5.00 105.19 107.15 1x0g n GLY 87 Ca 0.14 -2.08 -0.34 0.00 0.00 0.00 0.00 46.02 43.75 1x0g n GLY 87 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1x0g s GLY 88 N 0.00 2.43 -0.16 -0.02 0.00 -1.26 -1.53 107.32 106.78 1x0g s GLY 88 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 44.72 44.42 1x0g s GLY 88 CO 0.00 0.25 1.01 0.00 0.00 0.00 0.00 173.10 174.36 1x0g s ALA 89 N -1.74 -1.94 0.45 3.20 0.00 -0.69 -4.98 121.76 116.06 1x0g s ALA 89 Ca 0.47 1.58 -0.25 0.00 0.00 0.00 0.00 51.96 53.76 1x0g s ALA 89 Cb -0.13 -0.69 -0.08 0.00 0.00 0.00 0.00 23.12 22.22 1x0g s ALA 89 CO 0.19 -0.33 1.37 -0.06 0.00 0.00 0.00 175.76 176.94 1x0g s PHE 90 N -1.21 2.56 -0.15 0.00 0.40 -1.26 -1.06 117.98 117.25 1x0g s PHE 90 Ca -0.01 1.33 -0.01 0.00 -0.60 0.00 0.00 56.93 57.63 1x0g s PHE 90 Cb -0.00 -3.82 -0.02 0.00 0.51 0.00 0.00 43.02 39.69 1x0g s PHE 90 CO 0.01 -2.64 -0.10 1.03 0.70 0.00 0.00 175.22 174.22 1x0g s ARG 91 N -2.45 3.43 -0.17 0.44 1.81 0.23 -4.84 118.95 117.41 1x0g s ARG 91 Ca 0.61 -0.65 -0.05 0.00 -1.72 0.00 0.00 55.73 53.93 1x0g s ARG 91 Cb -0.41 -2.75 -0.03 0.00 -0.45 0.00 0.00 34.95 31.31 1x0g s ARG 91 CO 0.52 0.14 -0.01 -0.06 -0.68 0.00 0.00 175.30 175.22 1x0g s PHE 92 N 0.55 3.09 -0.19 -0.53 0.40 -1.26 0.37 117.98 120.41 1x0g s PHE 92 Ca -0.07 -0.22 -0.01 0.00 -0.60 0.00 0.00 56.93 56.04 1x0g s PHE 92 Cb -0.15 -2.01 0.05 0.00 0.51 0.00 0.00 43.02 41.42 1x0g s PHE 92 CO 0.03 -0.01 -0.02 -1.58 0.70 0.00 0.00 175.22 174.35 1x0g s HIS 93 N 0.44 1.61 -0.25 0.36 2.46 -0.86 -5.01 115.29 114.03 1x0g s HIS 93 Ca -0.02 -1.15 0.01 0.00 0.47 0.00 0.00 55.06 54.37 1x0g s HIS 93 Cb -0.14 -1.26 0.07 0.00 -0.13 0.00 0.00 32.58 31.12 1x0g s HIS 93 CO 0.02 -0.65 -0.04 1.21 -2.47 0.00 0.00 174.74 172.81 1x0g s ASN 94 N 1.66 4.04 0.31 9.88 3.84 -1.26 -1.61 114.94 131.80 1x0g s ASN 94 Ca -0.02 -1.33 0.03 0.00 0.21 0.00 0.00 52.86 51.75 1x0g s ASN 94 Cb -0.17 -1.26 0.51 0.00 -0.55 0.00 0.00 41.25 39.78 1x0g s ASN 94 CO -0.07 -0.25 1.82 -0.65 -2.79 0.00 0.00 177.10 175.16 1x0g h PRO 95 N 7.90 0.57 0.40 0.43 0.11 -1.88 -3.17 132.00 136.36 1x0g h PRO 95 Ca -0.17 -0.14 -0.01 0.00 0.11 0.00 0.00 66.00 65.79 1x0g h PRO 95 Cb 1.06 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 32.07 1x0g h PRO 95 CO 0.43 0.63 -0.52 -0.91 -0.21 0.00 0.00 178.00 177.42 1x0g h ASN 96 N 0.53 -1.47 0.00 -2.05 -0.26 -1.91 -2.88 115.58 107.55 1x0g h ASN 96 Ca 0.11 0.13 0.00 0.00 -0.56 0.00 0.00 56.30 55.97 1x0g h ASN 96 Cb 0.42 0.50 0.00 0.00 -1.06 0.00 0.00 38.32 38.19 1x0g h ASN 96 CO 0.02 -0.65 0.00 0.00 -1.06 0.00 0.00 177.43 175.75 1x0g n ALA 97 N -2.85 2.15 -2.57 -0.83 0.00 -1.22 -4.35 120.51 110.84 1x0g n ALA 97 Ca -0.11 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.92 1x0g n ALA 97 Cb 0.45 -1.00 0.02 0.00 0.00 0.00 0.00 19.45 18.92 1x0g n ALA 97 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1x0g n SER 98 N 0.03 7.41 -3.45 0.00 2.88 -1.09 -4.90 113.62 114.50 1x0g n SER 98 Ca 0.00 -3.67 -0.03 0.00 -1.33 0.00 0.00 58.87 53.84 1x0g n SER 98 Cb 0.16 -1.17 -0.06 0.00 -0.75 0.00 0.00 64.21 62.39 1x0g n SER 98 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 1x0g s GLN 99 N -4.17 0.46 -0.06 -1.46 2.00 -1.26 -5.08 119.66 110.08 1x0g s GLN 99 Ca 0.40 1.02 0.03 0.00 -2.00 0.00 0.00 55.36 54.82 1x0g s GLN 99 Cb 0.20 0.35 0.01 0.00 0.80 0.00 0.00 33.01 34.37 1x0g s GLN 99 CO -0.14 -0.42 -0.15 -0.08 -0.50 0.00 0.00 175.29 173.99 1x0g s THR 100 N 2.74 1.32 -0.04 -0.34 -1.32 -1.26 -5.13 115.64 111.61 1x0g s THR 100 Ca 0.06 -0.61 -0.17 0.00 -1.21 0.00 0.00 61.69 59.76 1x0g s THR 100 Cb -0.14 -1.17 -0.05 0.00 -1.51 0.00 0.00 72.50 69.63 1x0g s THR 100 CO -0.17 0.39 0.46 0.00 -2.21 0.00 0.00 174.62 173.10 1x0g n GLY 102 N 2.48 -0.68 3.75 0.00 0.00 -1.26 -5.00 105.19 104.48 1x0g n GLY 102 Ca -0.10 -1.78 -0.40 0.00 0.00 0.00 0.00 46.02 43.74 1x0g n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x0g n GLY 104 N 1.46 -1.08 3.81 0.00 0.00 -1.26 -4.92 105.19 103.20 1x0g n GLY 104 Ca -0.02 -0.19 -0.27 0.00 0.00 0.00 0.00 46.02 45.55 1x0g n GLY 104 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1x0g s MET 105 N -2.29 2.93 0.10 1.61 -1.94 -1.26 -5.12 119.30 113.34 1x0g s MET 105 Ca 0.38 -0.83 -0.04 0.00 -1.71 0.00 0.00 55.69 53.48 1x0g s MET 105 Cb 0.21 -2.67 -0.02 0.00 2.01 0.00 0.00 34.83 34.35 1x0g s MET 105 CO 0.42 0.49 0.11 0.00 -0.01 0.00 0.00 175.02 176.03 1x0g s ALA 106 N -1.72 0.33 0.43 3.03 0.00 -1.26 -5.12 121.76 117.45 1x0g s ALA 106 Ca 0.31 -1.08 -0.26 0.00 0.00 0.00 0.00 51.96 50.94 1x0g s ALA 106 Cb -0.10 0.60 -0.09 0.00 0.00 0.00 0.00 23.12 23.52 1x0g s ALA 106 CO 0.24 -0.49 1.36 1.19 0.00 0.00 0.00 175.76 178.06 1x0g n PHE 107 N -0.05 2.46 0.01 0.00 3.01 -1.26 -4.93 117.46 116.70 1x0g n PHE 107 Ca -0.11 0.47 -0.19 0.00 1.01 0.00 0.00 57.45 58.64 1x0g n PHE 107 Cb 0.62 -2.43 -0.09 0.00 -0.01 0.00 0.00 39.48 37.58 1x0g n PHE 107 CO 0.00 0.00 0.00 0.07 1.01 0.00 0.00 176.76 177.84 1x0g h ARG 108 N 2.25 0.70 -4.62 -1.08 0.11 -2.06 -3.38 114.38 106.31 1x0g h ARG 108 Ca -0.49 -0.67 -0.70 0.00 0.10 0.00 0.00 59.98 58.22 1x0g h ARG 108 Cb 1.28 0.17 -0.27 0.00 1.11 0.00 0.00 29.97 32.26 1x0g h ARG 108 CO 0.61 1.26 -0.56 0.08 0.10 0.00 0.00 179.97 181.46 1x0g s VAL 109 N -3.49 4.09 -0.73 0.08 1.01 -1.26 -5.27 120.40 114.83 1x0g s VAL 109 Ca -0.11 -1.08 0.06 0.00 0.00 0.00 0.00 61.98 60.86 1x0g s VAL 109 Cb 0.07 -3.33 0.05 0.00 0.00 0.00 0.00 36.38 33.17 1x0g s VAL 109 CO 0.90 -0.24 0.69 -1.54 0.00 0.00 0.00 175.10 174.91