#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2z0r n LEU 5 N 0.00 3.25 -4.77 -2.12 7.99 -1.26 -4.94 117.00 115.16 2z0r n LEU 5 Ca 0.00 -1.31 -0.30 0.00 -0.01 0.00 0.00 56.01 54.39 2z0r n LEU 5 Cb 0.00 -0.17 0.10 0.00 -0.11 0.00 0.00 43.42 43.24 2z0r n LEU 5 CO 0.00 0.65 0.69 -0.94 -1.51 0.00 0.00 177.39 176.29 2z0r s SER 6 N -1.65 4.29 0.00 -1.43 1.04 -1.26 -4.82 113.70 109.86 2z0r s SER 6 Ca 0.35 1.54 0.00 0.00 0.48 0.00 0.00 55.95 58.33 2z0r s SER 6 Cb 0.22 -2.27 0.00 0.00 0.10 0.00 0.00 66.02 64.07 2z0r s SER 6 CO 0.31 -2.13 0.00 0.61 0.98 0.00 0.00 173.24 173.01 2z0r n GLY 7 N -1.54 -1.19 3.63 7.32 0.00 -1.26 -4.92 105.19 107.23 2z0r n GLY 7 Ca 0.08 -1.61 -0.47 0.00 0.00 0.00 0.00 46.02 44.02 2z0r n GLY 7 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2z0r n THR 8 N -1.17 0.63 -3.64 2.61 -1.04 -1.26 -4.98 114.28 105.43 2z0r n THR 8 Ca 0.00 -0.16 -0.37 0.00 -2.04 0.00 0.00 64.05 61.48 2z0r n THR 8 Cb 0.00 -1.21 -0.06 0.00 -1.82 0.00 0.00 70.33 67.24 2z0r n THR 8 CO 0.00 0.00 0.00 0.26 -0.64 0.00 0.00 175.07 174.69 2z0r s TRP 9 N 0.15 3.62 -0.18 -1.42 0.51 -0.83 -4.66 118.94 116.13 2z0r s TRP 9 Ca 0.74 0.74 -0.01 0.00 -2.12 0.00 0.00 56.10 55.45 2z0r s TRP 9 Cb -0.76 -2.19 -0.00 0.00 -0.81 0.00 0.00 33.47 29.71 2z0r s TRP 9 CO 0.48 0.58 -0.11 0.71 -0.51 0.00 0.00 176.95 178.09 2z0r s TYR 10 N -0.68 2.86 0.27 -1.98 2.02 -0.10 0.00 117.35 119.74 2z0r s TYR 10 Ca 0.19 -1.00 0.02 0.00 -0.37 0.00 0.00 57.07 55.92 2z0r s TYR 10 Cb -0.14 -1.97 -0.06 0.00 -0.40 0.00 0.00 41.96 39.39 2z0r s TYR 10 CO 0.08 -0.49 0.06 0.14 -1.57 0.00 0.00 175.55 173.77 2z0r s VAL 11 N 1.04 0.85 -0.14 0.71 -7.23 0.10 0.15 120.40 115.88 2z0r s VAL 11 Ca -0.01 -2.01 -0.10 0.00 -1.81 0.00 0.00 61.98 58.06 2z0r s VAL 11 Cb -0.15 -2.61 -0.05 0.00 0.56 0.00 0.00 36.38 34.13 2z0r s VAL 11 CO -0.02 -0.08 0.19 -0.76 -0.31 0.00 0.00 175.10 174.12 2z0r s LEU 12 N -3.36 4.31 -0.06 1.32 1.02 -1.26 0.49 118.68 121.13 2z0r s LEU 12 Ca 0.35 0.44 -0.06 0.00 0.02 0.00 0.00 54.13 54.89 2z0r s LEU 12 Cb 0.08 -2.19 0.02 0.00 0.02 0.00 0.00 46.19 44.12 2z0r s LEU 12 CO 0.13 0.26 0.16 -0.70 0.02 0.00 0.00 176.35 176.23 2z0r s GLU 13 N -0.26 0.19 0.00 1.70 2.12 -0.31 -3.18 118.70 118.96 2z0r s GLU 13 Ca 0.14 0.24 0.00 0.00 0.36 0.00 0.00 54.97 55.71 2z0r s GLU 13 Cb -0.12 0.08 0.00 0.00 0.26 0.00 0.00 34.13 34.34 2z0r s GLU 13 CO 0.03 -0.03 0.00 0.41 -0.54 0.00 0.00 175.26 175.13 2z0r n GLY 14 N 3.07 0.44 3.74 -1.50 0.00 0.54 -1.30 105.19 110.18 2z0r n GLY 14 Ca -0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.53 2z0r n GLY 14 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2z0r s ASP 15 N -0.80 4.78 0.06 1.61 1.01 -1.26 -4.80 116.67 117.27 2z0r s ASP 15 Ca 0.00 2.45 -0.37 0.00 0.71 0.00 0.00 52.55 55.34 2z0r s ASP 15 Cb 0.00 -2.60 -0.17 0.00 1.01 0.00 0.00 42.92 41.16 2z0r s ASP 15 CO 0.00 -1.87 1.36 -0.81 0.21 0.00 0.00 175.17 174.05 2z0r n PRO 16 N -1.96 1.10 0.00 8.23 -0.04 -1.26 -0.38 135.00 140.69 2z0r n PRO 16 Ca 0.14 0.40 0.00 0.00 -0.04 0.00 0.00 63.50 64.00 2z0r n PRO 16 Cb 0.49 -2.04 0.00 0.00 -0.04 0.00 0.00 33.50 31.92 2z0r n PRO 16 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2z0r n GLY 17 N 2.59 3.22 3.40 0.55 0.00 -1.26 -4.98 105.19 108.71 2z0r n GLY 17 Ca 0.19 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.76 2z0r n GLY 17 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2z0r s GLU 18 N -0.51 3.33 0.33 1.61 -1.05 0.49 -5.01 118.70 117.90 2z0r s GLU 18 Ca 0.00 -1.60 -0.01 0.00 -0.15 0.00 0.00 54.97 53.21 2z0r s GLU 18 Cb 0.00 -4.51 -0.04 0.00 -0.44 0.00 0.00 34.13 29.14 2z0r s GLU 18 CO 0.00 -1.61 0.55 -1.01 0.95 0.00 0.00 175.26 174.14 2z0r s HIS 19 N 2.43 3.50 -0.07 4.83 3.76 -1.26 -0.34 115.29 128.14 2z0r s HIS 19 Ca 0.21 0.44 -0.30 0.00 -0.15 0.00 0.00 55.06 55.26 2z0r s HIS 19 Cb -0.14 -1.96 -0.04 0.00 1.11 0.00 0.00 32.58 31.54 2z0r s HIS 19 CO -0.01 0.12 1.46 -1.17 -0.85 0.00 0.00 174.74 174.29 2z0r s LEU 20 N -4.12 4.28 -0.08 0.89 2.96 -1.19 -4.96 118.68 116.46 2z0r s LEU 20 Ca 0.41 2.04 0.05 0.00 -0.22 0.00 0.00 54.13 56.41 2z0r s LEU 20 Cb -0.10 -3.54 -0.00 0.00 0.50 0.00 0.00 46.19 43.04 2z0r s LEU 20 CO 0.35 -0.81 -0.24 -0.69 -1.32 0.00 0.00 176.35 173.63 2z0r s VAL 21 N 3.37 2.04 -0.03 1.68 1.01 -1.26 -4.31 120.40 122.89 2z0r s VAL 21 Ca 0.65 -1.03 0.05 0.00 0.00 0.00 0.00 61.98 61.65 2z0r s VAL 21 Cb -0.29 -1.75 -0.01 0.00 0.00 0.00 0.00 36.38 34.33 2z0r s VAL 21 CO 0.24 0.56 -0.19 -0.69 0.00 0.00 0.00 175.10 175.02 2z0r s VAL 22 N 0.13 1.58 -0.40 2.92 1.01 0.35 -4.92 120.40 121.06 2z0r s VAL 22 Ca -0.12 -0.82 -0.13 0.00 0.00 0.00 0.00 61.98 60.90 2z0r s VAL 22 Cb -0.16 -1.33 0.03 0.00 0.00 0.00 0.00 36.38 34.92 2z0r s VAL 22 CO 0.07 0.45 0.27 -1.61 0.00 0.00 0.00 175.10 174.27 2z0r s GLU 23 N -0.22 2.87 0.19 2.72 2.02 -1.26 0.22 118.70 125.24 2z0r s GLU 23 Ca 0.02 -1.13 -0.20 0.00 0.02 0.00 0.00 54.97 53.68 2z0r s GLU 23 Cb -0.10 -3.88 0.04 0.00 0.10 0.00 0.00 34.13 30.30 2z0r s GLU 23 CO 0.01 -0.78 0.58 0.00 0.02 0.00 0.00 175.26 175.09 2z0r s ALA 24 N 1.60 -1.23 -1.89 5.21 0.00 -0.97 -4.92 121.76 119.56 2z0r s ALA 24 Ca 0.03 0.03 0.00 0.00 0.00 0.00 0.00 51.96 52.03 2z0r s ALA 24 Cb -0.20 0.85 0.00 0.00 0.00 0.00 0.00 23.12 23.77 2z0r s ALA 24 CO 0.08 -0.82 0.00 1.28 0.00 0.00 0.00 175.76 176.29 2z0r n LEU 25 N -0.37 -1.84 -1.56 0.00 4.77 -1.26 -1.96 117.00 114.78 2z0r n LEU 25 Ca -0.12 0.11 -0.14 0.00 -0.03 0.00 0.00 56.01 55.83 2z0r n LEU 25 Cb 0.63 -2.93 -0.01 0.00 -2.33 0.00 0.00 43.42 38.78 2z0r n LEU 25 CO 0.15 -0.43 -0.18 0.61 -1.33 0.00 0.00 177.39 176.21 2z0r n GLY 26 N -0.87 0.00 3.70 -0.72 0.00 -1.26 -4.98 105.19 101.06 2z0r n GLY 26 Ca -0.24 -0.29 -0.10 0.00 0.00 0.00 0.00 46.02 45.39 2z0r n GLY 26 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2z0r s GLU 27 N -4.52 1.90 -0.32 1.61 2.12 -0.83 -5.12 118.70 113.55 2z0r s GLU 27 Ca 0.00 -1.36 -0.14 0.00 0.36 0.00 0.00 54.97 53.83 2z0r s GLU 27 Cb 0.00 0.55 -0.02 0.00 0.26 0.00 0.00 34.13 34.91 2z0r s GLU 27 CO 0.00 -0.85 0.30 1.03 -0.54 0.00 0.00 175.26 175.20 2z0r s ARG 28 N -3.23 3.66 0.09 4.30 0.52 -1.26 -2.29 118.95 120.74 2z0r s ARG 28 Ca 0.19 -0.41 0.08 0.00 -0.52 0.00 0.00 55.73 55.07 2z0r s ARG 28 Cb -0.03 -3.76 -0.04 0.00 0.52 0.00 0.00 34.95 31.63 2z0r s ARG 28 CO 0.12 -0.42 -0.15 -0.51 0.02 0.00 0.00 175.30 174.36 2z0r s LEU 29 N 1.90 2.80 0.00 2.53 1.43 0.13 -3.46 118.68 124.02 2z0r s LEU 29 Ca 0.10 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 52.73 2z0r s LEU 29 Cb -0.17 -1.63 0.00 0.00 0.03 0.00 0.00 46.19 44.42 2z0r s LEU 29 CO 0.11 0.20 0.00 -0.24 0.23 0.00 0.00 176.35 176.65 2z0r n SER 30 N 0.94 1.66 -3.82 2.29 2.88 -1.05 0.13 113.62 116.65 2z0r n SER 30 Ca -0.15 -0.47 -0.12 0.00 -1.33 0.00 0.00 58.87 56.79 2z0r n SER 30 Cb 0.52 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.89 2z0r n SER 30 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2z0r s GLY 31 N -0.47 -0.07 -0.04 0.46 0.00 -1.26 -4.49 107.32 101.46 2z0r s GLY 31 Ca 0.00 0.17 0.02 0.00 0.00 0.00 0.00 44.72 44.91 2z0r s GLY 31 CO 0.00 0.01 -0.07 -0.42 0.00 0.00 0.00 173.10 172.63 2z0r s ILE 32 N -1.12 0.66 0.02 0.90 1.01 -1.26 -4.48 121.20 116.93 2z0r s ILE 32 Ca -0.12 -0.24 0.06 0.00 0.00 0.00 0.00 60.65 60.35 2z0r s ILE 32 Cb -0.06 -0.63 -0.03 0.00 0.01 0.00 0.00 42.46 41.75 2z0r s ILE 32 CO 0.02 0.23 -0.17 0.26 0.00 0.00 0.00 174.94 175.28 2z0r s TRP 33 N 0.56 2.58 -2.09 3.97 0.51 0.12 -0.69 118.94 123.90 2z0r s TRP 33 Ca -0.08 -0.24 0.14 0.00 -2.12 0.00 0.00 56.10 53.79 2z0r s TRP 33 Cb -0.12 -1.50 0.48 0.00 -0.81 0.00 0.00 33.47 31.52 2z0r s TRP 33 CO 0.01 0.22 1.36 0.25 -0.51 0.00 0.00 176.95 178.28 2z0r n THR 34 N 1.76 0.31 -3.55 2.01 -2.24 -1.26 -0.92 114.28 110.38 2z0r n THR 34 Ca -0.16 -0.35 -0.17 0.00 -2.27 0.00 0.00 64.05 61.10 2z0r n THR 34 Cb 0.52 0.22 -0.06 0.00 -2.10 0.00 0.00 70.33 68.91 2z0r n THR 34 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2z0r s SER 35 N -1.23 -0.67 0.33 3.42 1.04 -1.26 -4.93 113.70 110.40 2z0r s SER 35 Ca 0.24 0.90 0.02 0.00 0.48 0.00 0.00 55.95 57.59 2z0r s SER 35 Cb 0.13 0.77 0.59 0.00 0.10 0.00 0.00 66.02 67.61 2z0r s SER 35 CO 0.18 -0.50 1.96 -0.09 0.98 0.00 0.00 173.24 175.77 2z0r h ARG 36 N 3.51 0.91 -0.30 4.02 2.43 -1.94 -1.93 114.38 121.08 2z0r h ARG 36 Ca -0.27 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 58.83 2z0r h ARG 36 Cb 1.15 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 30.48 2z0r h ARG 36 CO 0.30 0.60 0.15 0.93 -1.51 0.00 0.00 179.97 180.44 2z0r h GLU 37 N 0.94 0.43 -0.65 0.20 5.08 -1.98 0.14 114.58 118.74 2z0r h GLU 37 Ca 0.31 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.56 2z0r h GLU 37 Cb 0.07 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 2z0r h GLU 37 CO -0.09 0.39 0.17 -0.07 -1.00 0.00 0.00 179.01 178.41 2z0r h LEU 38 N 0.36 0.95 -0.25 1.33 3.38 -1.85 0.94 115.31 120.18 2z0r h LEU 38 Ca 0.10 -0.18 -0.14 0.00 0.09 0.00 0.00 57.88 57.75 2z0r h LEU 38 Cb 0.10 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 2z0r h LEU 38 CO -0.01 0.91 -0.39 0.00 0.09 0.00 0.00 178.44 179.04 2z0r h ALA 39 N 1.21 0.38 -0.13 1.53 0.00 -1.12 -2.06 119.26 119.07 2z0r h ALA 39 Ca 0.21 -0.45 -0.10 0.00 0.00 0.00 0.00 54.91 54.58 2z0r h ALA 39 Cb 0.32 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2z0r h ALA 39 CO -0.00 0.47 -0.35 0.93 0.00 0.00 0.00 179.25 180.30 2z0r h GLU 40 N 0.42 0.26 -0.09 0.00 5.08 -0.56 0.18 114.58 119.87 2z0r h GLU 40 Ca 0.02 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2z0r h GLU 40 Cb 0.98 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.22 2z0r h GLU 40 CO 0.09 0.58 0.05 0.00 -1.00 0.00 0.00 179.01 178.72 2z0r h ALA 41 N 1.42 0.11 -0.76 3.43 0.00 -0.70 0.48 119.26 123.23 2z0r h ALA 41 Ca 0.03 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2z0r h ALA 41 Cb 0.72 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 2z0r h ALA 41 CO 0.05 -0.36 0.40 0.35 0.00 0.00 0.00 179.25 179.69 2z0r h PHE 42 N 0.06 1.06 -0.91 0.00 3.57 -0.94 -2.11 116.94 117.68 2z0r h PHE 42 Ca 0.03 -0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.50 2z0r h PHE 42 Cb 0.06 -0.34 -0.04 0.00 2.79 0.00 0.00 35.95 38.42 2z0r h PHE 42 CO -0.05 0.76 0.59 1.25 -2.23 0.00 0.00 178.31 178.63 2z0r h LEU 43 N 1.06 1.06 -2.14 0.59 6.46 -0.03 -1.68 115.31 120.63 2z0r h LEU 43 Ca 0.27 -0.04 -0.00 0.00 -0.12 0.00 0.00 57.88 57.99 2z0r h LEU 43 Cb 0.06 -0.26 -0.00 0.00 -0.73 0.00 0.00 40.66 39.73 2z0r h LEU 43 CO -0.04 0.78 -0.01 0.00 -0.62 0.00 0.00 178.44 178.54 2z0r h ALA 44 N 1.32 1.80 -0.22 1.25 0.00 0.62 -1.57 119.26 122.47 2z0r h ALA 44 Ca 0.33 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.23 2z0r h ALA 44 Cb -0.12 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2z0r h ALA 44 CO -0.07 0.02 0.00 0.72 0.00 0.00 0.00 179.25 179.92 2z0r n HIS 45 N -4.27 0.27 -3.18 0.00 8.25 -0.66 -4.54 115.22 111.10 2z0r n HIS 45 Ca -0.03 -0.14 -0.24 0.00 -0.26 0.00 0.00 57.72 57.06 2z0r n HIS 45 Cb 0.10 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.14 2z0r n HIS 45 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2z0r n HIS 46 N 0.79 -0.49 -2.00 4.41 8.25 -0.59 -5.10 115.22 120.49 2z0r n HIS 46 Ca 0.17 -3.49 -0.29 0.00 -0.26 0.00 0.00 57.72 53.85 2z0r n HIS 46 Cb 0.45 -0.26 0.17 0.00 1.12 0.00 0.00 29.99 31.47 2z0r n HIS 46 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2z0r s PRO 47 N -1.07 0.84 -1.74 -0.41 0.04 -1.25 -4.34 135.00 127.07 2z0r s PRO 47 Ca 0.35 -0.46 0.00 0.00 0.04 0.00 0.00 61.00 60.93 2z0r s PRO 47 Cb 0.17 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.80 2z0r s PRO 47 CO -0.12 -2.26 0.00 0.72 0.04 0.00 0.00 177.00 175.39 2z0r n HIS 48 N -3.63 0.00 0.20 0.56 8.25 -1.26 -4.81 115.22 114.52 2z0r n HIS 48 Ca 0.15 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.69 2z0r n HIS 48 Cb 0.60 -3.03 0.14 0.00 1.12 0.00 0.00 29.99 28.82 2z0r n HIS 48 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2z0r n LEU 49 N -1.87 2.81 -2.84 2.41 4.77 -1.26 -5.26 117.00 115.76 2z0r n LEU 49 Ca -0.16 -1.51 -0.02 0.00 -0.03 0.00 0.00 56.01 54.29 2z0r n LEU 49 Cb 0.60 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 2z0r n LEU 49 CO 0.25 0.62 0.23 0.61 -1.33 0.00 0.00 177.39 177.77 2z0r n GLY 50 N 0.91 -1.18 0.00 -0.72 0.00 -1.26 -4.95 105.19 97.99 2z0r n GLY 50 Ca 0.13 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.78 2z0r n GLY 50 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2z0r n ARG 52 N -1.25 0.00 -2.72 1.61 1.85 -0.42 -4.24 116.66 111.50 2z0r n ARG 52 Ca 0.03 0.00 -0.41 0.00 -1.00 0.00 0.00 57.85 56.48 2z0r n ARG 52 Cb 0.47 0.00 -0.05 0.00 -1.05 0.00 0.00 32.46 31.84 2z0r n ARG 52 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 177.63 177.76 2z0r s VAL 53 N -2.00 4.41 -0.04 8.89 -7.23 -1.26 -1.16 120.40 122.00 2z0r s VAL 53 Ca 0.00 2.04 0.05 0.00 -1.81 0.00 0.00 61.98 62.26 2z0r s VAL 53 Cb 0.00 -4.30 -0.01 0.00 0.56 0.00 0.00 36.38 32.63 2z0r s VAL 53 CO 0.00 0.33 -0.19 -0.55 -0.31 0.00 0.00 175.10 174.39 2z0r s SER 54 N -0.14 2.32 -0.19 4.85 0.15 0.18 -4.92 113.70 115.94 2z0r s SER 54 Ca 0.46 -0.38 -0.10 0.00 0.70 0.00 0.00 55.95 56.64 2z0r s SER 54 Cb -0.24 -0.60 -0.05 0.00 -1.71 0.00 0.00 66.02 63.42 2z0r s SER 54 CO 0.30 0.18 0.12 0.00 1.20 0.00 0.00 173.24 175.05 2z0r s ALA 55 N -0.05 3.67 -0.67 5.45 0.00 -1.26 -0.72 121.76 128.17 2z0r s ALA 55 Ca -0.02 -0.69 -0.06 0.00 0.00 0.00 0.00 51.96 51.19 2z0r s ALA 55 Cb -0.11 -2.13 0.17 0.00 0.00 0.00 0.00 23.12 21.05 2z0r s ALA 55 CO 0.02 0.18 0.52 -0.51 0.00 0.00 0.00 175.76 175.97 2z0r s LEU 56 N 0.30 5.61 0.12 0.00 1.43 0.10 -4.91 118.68 121.33 2z0r s LEU 56 Ca 0.08 -2.81 0.09 0.00 -1.03 0.00 0.00 54.13 50.46 2z0r s LEU 56 Cb -0.11 -1.94 -0.17 0.00 0.03 0.00 0.00 46.19 44.00 2z0r s LEU 56 CO -0.02 -0.42 1.22 -0.33 0.23 0.00 0.00 176.35 177.04 2z0r h GLU 57 N 7.22 0.00 -6.41 1.70 3.07 -1.94 -2.22 114.58 116.00 2z0r h GLU 57 Ca 0.01 0.00 -0.44 0.00 -0.50 0.00 0.00 59.36 58.43 2z0r h GLU 57 Cb 0.97 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.89 2z0r h GLU 57 CO 0.73 0.85 -0.26 -1.54 -1.40 0.00 0.00 179.01 177.38 2z0r s SER 58 N -6.58 5.47 0.09 1.42 1.04 -1.26 -4.68 113.70 109.20 2z0r s SER 58 Ca 0.01 -0.54 -0.16 0.00 0.48 0.00 0.00 55.95 55.74 2z0r s SER 58 Cb 0.09 -0.51 -0.09 0.00 0.10 0.00 0.00 66.02 65.61 2z0r s SER 58 CO 0.81 -0.82 1.42 -0.09 0.98 0.00 0.00 173.24 175.54 2z0r h ARG 59 N 0.66 0.63 -0.43 4.02 1.12 -1.92 -2.10 114.38 116.36 2z0r h ARG 59 Ca -0.39 -0.32 0.04 0.00 -1.11 0.00 0.00 59.98 58.20 2z0r h ARG 59 Cb 1.28 0.00 -0.04 0.00 -0.01 0.00 0.00 29.97 31.20 2z0r h ARG 59 CO 0.47 0.91 0.19 0.00 -3.11 0.00 0.00 179.97 178.44 2z0r h ALA 60 N 0.70 0.53 -0.52 2.80 0.00 -1.95 0.27 119.26 121.10 2z0r h ALA 60 Ca 0.05 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 2z0r h ALA 60 Cb 0.78 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 2z0r h ALA 60 CO 0.06 -0.17 -0.13 -0.07 0.00 0.00 0.00 179.25 178.94 2z0r h LEU 61 N 0.39 1.00 -0.74 0.00 3.38 -1.93 0.14 115.31 117.56 2z0r h LEU 61 Ca 0.19 -0.34 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 2z0r h LEU 61 Cb 0.13 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 2z0r h LEU 61 CO -0.15 1.12 0.25 0.11 0.09 0.00 0.00 178.44 179.86 2z0r h LYS 62 N 0.88 1.13 -0.11 1.13 1.57 -1.11 -1.16 116.57 118.90 2z0r h LYS 62 Ca 0.13 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 2z0r h LYS 62 Cb 0.69 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.83 2z0r h LYS 62 CO 0.05 0.95 0.03 1.49 -0.57 0.00 0.00 179.45 181.40 2z0r h GLU 63 N 1.08 0.18 -0.59 3.15 4.57 -0.56 -2.12 114.58 120.29 2z0r h GLU 63 Ca 0.24 -0.04 0.01 0.00 -1.18 0.00 0.00 59.36 58.39 2z0r h GLU 63 Cb 0.27 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.81 2z0r h GLU 63 CO -0.01 0.35 0.39 0.00 -1.18 0.00 0.00 179.01 178.56 2z0r h ALA 64 N 0.83 1.60 -0.28 2.92 0.00 -0.55 -1.84 119.26 121.95 2z0r h ALA 64 Ca 0.04 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2z0r h ALA 64 Cb 0.24 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2z0r h ALA 64 CO 0.00 0.36 0.15 -0.92 0.00 0.00 0.00 179.25 178.84 2z0r h TYR 65 N 0.78 0.39 -0.58 0.00 3.20 -0.87 -0.66 116.97 119.22 2z0r h TYR 65 Ca 0.22 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.05 2z0r h TYR 65 Cb -0.05 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.07 2z0r h TYR 65 CO -0.00 0.33 0.24 -0.07 -1.64 0.00 0.00 178.16 177.03 2z0r h LEU 66 N 0.33 0.79 -0.53 2.82 3.38 -0.77 -0.50 115.31 120.83 2z0r h LEU 66 Ca 0.10 -0.16 0.05 0.00 0.09 0.00 0.00 57.88 57.95 2z0r h LEU 66 Cb 0.08 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.58 2z0r h LEU 66 CO -0.01 0.73 0.27 0.03 0.09 0.00 0.00 178.44 179.55 2z0r h ARG 67 N 0.80 0.51 -0.73 1.13 2.47 -1.16 -1.17 114.38 116.23 2z0r h ARG 67 Ca 0.19 -0.03 -0.04 0.00 -1.26 0.00 0.00 59.98 58.85 2z0r h ARG 67 Cb 0.18 -0.12 -0.03 0.00 -1.65 0.00 0.00 29.97 28.35 2z0r h ARG 67 CO -0.02 0.34 0.31 0.00 0.56 0.00 0.00 179.97 181.16 2z0r h ALA 68 N 1.28 1.18 -0.18 0.04 0.00 -0.55 -0.95 119.26 120.08 2z0r h ALA 68 Ca 0.23 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 2z0r h ALA 68 Cb 0.14 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2z0r h ALA 68 CO -0.16 0.61 -0.01 -0.07 0.00 0.00 0.00 179.25 179.61 2z0r h LEU 69 N 1.04 0.24 -1.96 0.00 3.38 -0.24 -1.07 115.31 116.70 2z0r h LEU 69 Ca 0.25 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.19 2z0r h LEU 69 Cb 0.17 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2z0r h LEU 69 CO -0.02 0.30 0.00 0.61 0.09 0.00 0.00 178.44 179.42 2z0r n GLY 70 N -1.14 0.78 0.00 0.83 0.00 -0.36 -0.44 105.19 104.86 2z0r n GLY 70 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2z0r n GLY 70 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2z0r n LEU 72 N 0.78 0.00 -3.54 0.99 4.32 -0.41 -4.49 117.00 114.66 2z0r n LEU 72 Ca 0.00 0.00 -0.21 0.00 -0.02 0.00 0.00 56.01 55.78 2z0r n LEU 72 Cb 0.19 0.00 0.08 0.00 -1.62 0.00 0.00 43.42 42.07 2z0r n LEU 72 CO 0.00 0.00 0.17 0.00 -1.22 0.00 0.00 177.39 176.34 2z0r n GLN 73 N 0.00 -7.22 -3.89 3.23 6.02 -0.45 -4.99 117.38 110.07 2z0r n GLN 73 Ca 0.00 0.82 -0.36 0.00 -0.01 0.00 0.00 57.00 57.46 2z0r n GLN 73 Cb 0.00 -5.84 -0.11 0.00 1.02 0.00 0.00 30.24 25.31 2z0r n GLN 73 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2z0r s VAL 74 N -3.35 4.65 -0.99 5.09 1.01 0.42 -4.71 120.40 122.52 2z0r s VAL 74 Ca 0.32 -0.07 0.11 0.00 0.00 0.00 0.00 61.98 62.34 2z0r s VAL 74 Cb -0.14 -3.13 0.33 0.00 0.00 0.00 0.00 36.38 33.44 2z0r s VAL 74 CO 0.74 0.40 1.27 -0.62 0.00 0.00 0.00 175.10 176.89 2z0r n GLU 75 N 4.19 2.87 -3.53 2.72 -0.58 -1.22 -4.43 120.64 120.65 2z0r n GLU 75 Ca -0.16 -2.10 -0.17 0.00 -0.42 0.00 0.00 57.16 54.31 2z0r n GLU 75 Cb 0.52 -1.29 -0.06 0.00 -0.57 0.00 0.00 31.44 30.04 2z0r n GLU 75 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2z0r s ALA 76 N -1.01 -1.71 0.00 0.62 0.00 -1.25 -1.40 121.76 117.00 2z0r s ALA 76 Ca 0.25 1.22 0.00 0.00 0.00 0.00 0.00 51.96 53.43 2z0r s ALA 76 Cb 0.13 0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.31 2z0r s ALA 76 CO 0.17 -0.39 0.00 1.33 0.00 0.00 0.00 175.76 176.87 2z0r n VAL 77 N 0.85 0.00 -3.66 0.00 0.24 -0.05 -2.51 118.33 113.20 2z0r n VAL 77 Ca -0.19 0.00 -0.07 0.00 -2.04 0.00 0.00 64.34 62.04 2z0r n VAL 77 Cb 0.57 0.00 -0.08 0.00 -1.47 0.00 0.00 33.84 32.87 2z0r n VAL 77 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 2z0r s VAL 79 N 2.34 -0.21 -1.45 3.34 1.01 0.14 -0.81 120.40 124.76 2z0r s VAL 79 Ca 0.00 0.04 -0.01 0.00 0.00 0.00 0.00 61.98 62.01 2z0r s VAL 79 Cb 0.00 -0.87 0.01 0.00 0.00 0.00 0.00 36.38 35.52 2z0r s VAL 79 CO 0.00 0.02 0.37 0.47 0.00 0.00 0.00 175.10 175.96 2z0r n ASP 80 N 4.57 -0.29 -4.77 3.32 8.00 0.13 -4.36 116.55 123.15 2z0r n ASP 80 Ca -0.19 -1.05 -0.40 0.00 0.71 0.00 0.00 54.79 53.86 2z0r n ASP 80 Cb 0.56 -2.78 -0.02 0.00 -0.02 0.00 0.00 41.12 38.86 2z0r n ASP 80 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 2z0r s TYR 81 N -3.99 2.99 -0.11 1.24 5.04 -1.26 -4.97 117.35 116.29 2z0r s TYR 81 Ca 0.05 1.45 -0.33 0.00 -2.44 0.00 0.00 57.07 55.81 2z0r s TYR 81 Cb -0.03 -3.61 0.13 0.00 0.35 0.00 0.00 41.96 38.80 2z0r s TYR 81 CO 0.91 -1.79 1.16 -0.98 -1.34 0.00 0.00 175.55 173.52 2z0r s ARG 82 N -2.03 0.45 -0.80 4.97 1.70 -1.26 -4.89 118.95 117.09 2z0r s ARG 82 Ca 0.53 -0.19 -0.26 0.00 -0.47 0.00 0.00 55.73 55.34 2z0r s ARG 82 Cb -0.37 0.19 -0.13 0.00 -0.57 0.00 0.00 34.95 34.07 2z0r s ARG 82 CO 0.48 -0.20 2.37 -2.14 -1.08 0.00 0.00 175.30 174.74 2z0r s PRO 83 N -2.57 1.66 0.52 3.89 0.02 -1.26 -4.84 135.00 132.41 2z0r s PRO 83 Ca 0.10 0.42 0.03 0.00 0.02 0.00 0.00 61.00 61.56 2z0r s PRO 83 Cb 0.00 -4.81 0.00 0.00 0.02 0.00 0.00 34.50 29.71 2z0r s PRO 83 CO -0.05 -4.40 0.13 0.20 -0.33 0.00 0.00 177.00 172.56 2z0r s GLY 84 N 10.65 2.79 -0.02 0.52 0.00 -1.26 -5.06 107.32 114.95 2z0r s GLY 84 Ca 0.91 -0.73 0.17 0.00 0.00 0.00 0.00 44.72 45.06 2z0r s GLY 84 CO 0.07 -2.11 0.44 -0.37 0.00 0.00 0.00 173.10 171.14 2z0r n THR 85 N -1.42 0.00 -3.53 0.90 5.66 -1.26 -4.98 114.28 109.65 2z0r n THR 85 Ca -0.13 -0.32 -0.31 0.00 -3.05 0.00 0.00 64.05 60.24 2z0r n THR 85 Cb 0.66 0.34 -0.05 0.00 -1.55 0.00 0.00 70.33 69.73 2z0r n THR 85 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 2z0r s HIS 86 N -3.00 3.45 0.17 1.09 3.76 -1.26 -5.02 115.29 114.48 2z0r s HIS 86 Ca -0.03 0.70 -0.33 0.00 -0.15 0.00 0.00 55.06 55.25 2z0r s HIS 86 Cb 0.11 -2.12 -0.13 0.00 1.11 0.00 0.00 32.58 31.54 2z0r s HIS 86 CO 0.69 0.34 1.64 2.89 -0.85 0.00 0.00 174.74 179.45 2z0r n ARG 87 N -0.12 2.38 -1.20 1.40 1.85 -1.26 -4.87 116.66 114.84 2z0r n ARG 87 Ca -0.01 0.86 -0.37 0.00 -1.00 0.00 0.00 57.85 57.33 2z0r n ARG 87 Cb 0.52 -2.66 0.04 0.00 -1.05 0.00 0.00 32.46 29.31 2z0r n ARG 87 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2z0r n ALA 88 N 3.79 -2.96 -3.09 2.89 0.00 -1.26 -4.93 120.51 114.95 2z0r n ALA 88 Ca 0.17 -0.26 -0.41 0.00 0.00 0.00 0.00 53.44 52.94 2z0r n ALA 88 Cb 0.31 -1.53 -0.10 0.00 0.00 0.00 0.00 19.45 18.13 2z0r n ALA 88 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2z0r s GLN 89 N -1.94 2.73 -0.21 0.00 -0.21 -1.26 -5.05 119.66 113.72 2z0r s GLN 89 Ca 0.57 -1.34 -0.04 0.00 0.02 0.00 0.00 55.36 54.57 2z0r s GLN 89 Cb -0.37 -3.83 -0.01 0.00 1.00 0.00 0.00 33.01 29.81 2z0r s GLN 89 CO 0.66 -0.90 -0.04 0.08 -2.12 0.00 0.00 175.29 172.98 2z0r s VAL 90 N 1.50 3.44 -0.08 1.09 1.01 -1.26 0.27 120.40 126.37 2z0r s VAL 90 Ca 0.03 -0.47 0.02 0.00 0.00 0.00 0.00 61.98 61.55 2z0r s VAL 90 Cb -0.22 -2.56 -0.03 0.00 0.00 0.00 0.00 36.38 33.57 2z0r s VAL 90 CO 0.04 0.43 -0.11 0.00 0.00 0.00 0.00 175.10 175.46 2z0r s ALA 91 N 1.35 2.78 0.27 5.51 0.00 0.01 -4.94 121.76 126.75 2z0r s ALA 91 Ca 0.04 -0.93 -0.30 0.00 0.00 0.00 0.00 51.96 50.78 2z0r s ALA 91 Cb -0.14 -1.13 -0.09 0.00 0.00 0.00 0.00 23.12 21.75 2z0r s ALA 91 CO -0.02 0.49 1.04 1.03 0.00 0.00 0.00 175.76 178.30 2z0r s ARG 92 N -0.51 4.71 0.32 0.00 1.81 -1.26 -0.88 118.95 123.15 2z0r s ARG 92 Ca 0.07 1.69 0.01 0.00 -1.72 0.00 0.00 55.73 55.78 2z0r s ARG 92 Cb -0.12 -3.21 0.54 0.00 -0.45 0.00 0.00 34.95 31.71 2z0r s ARG 92 CO 0.02 0.32 1.93 0.28 -0.68 0.00 0.00 175.30 177.17 2z0r h VAL 93 N 3.11 1.19 -0.39 3.52 2.07 -1.55 -0.65 116.25 123.55 2z0r h VAL 93 Ca -0.46 -0.52 -0.00 0.00 0.82 0.00 0.00 66.70 66.53 2z0r h VAL 93 Cb 1.21 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 2z0r h VAL 93 CO 0.67 0.22 0.22 0.50 0.02 0.00 0.00 177.57 179.21 2z0r h LYS 94 N 0.82 0.53 0.04 1.57 3.64 -1.92 0.29 116.57 121.54 2z0r h LYS 94 Ca 0.21 -0.04 -0.26 0.00 -1.27 0.00 0.00 60.65 59.28 2z0r h LYS 94 Cb 0.07 -0.11 0.02 0.00 -0.41 0.00 0.00 32.23 31.80 2z0r h LYS 94 CO -0.03 0.38 -1.09 -0.44 -2.27 0.00 0.00 179.45 176.00 2z0r h ASP 95 N 0.54 0.76 -0.47 4.20 3.32 -1.56 -3.23 116.42 119.97 2z0r h ASP 95 Ca 0.14 -0.64 -0.05 0.00 0.02 0.00 0.00 57.03 56.50 2z0r h ASP 95 Cb -0.00 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.29 2z0r h ASP 95 CO -0.03 1.45 0.13 -0.07 -1.72 0.00 0.00 179.24 179.01 2z0r h LEU 96 N 0.29 0.75 -2.38 1.55 3.38 -0.42 -1.58 115.31 116.89 2z0r h LEU 96 Ca -0.13 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.71 2z0r h LEU 96 Cb 1.75 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 42.30 2z0r h LEU 96 CO 0.20 0.73 -0.01 -0.07 0.09 0.00 0.00 178.44 179.39 2z0r h LEU 97 N 0.78 0.00 0.04 1.67 3.38 -0.99 0.19 115.31 120.38 2z0r h LEU 97 Ca 0.17 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.04 2z0r h LEU 97 Cb 0.28 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 2z0r h LEU 97 CO -0.00 0.01 -0.51 -0.33 0.09 0.00 0.00 178.44 177.69 2z0r h GLU 98 N 0.00 0.09 -0.37 1.13 5.08 -1.41 -3.37 114.58 115.73 2z0r h GLU 98 Ca -0.00 -0.15 0.06 0.00 -1.00 0.00 0.00 59.36 58.27 2z0r h GLU 98 Cb 0.02 0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.27 2z0r h GLU 98 CO 0.00 1.07 0.03 0.93 -1.00 0.00 0.00 179.01 180.04 2z0r h GLU 99 N -0.79 0.13 0.00 2.33 5.08 -0.46 -1.82 114.58 119.05 2z0r h GLU 99 Ca -0.11 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2z0r h GLU 99 Cb 1.26 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.48 2z0r h GLU 99 CO 0.01 0.09 0.28 -0.39 -1.00 0.00 0.00 179.01 177.99 2z0r h VAL 100 N 0.14 0.00 0.00 3.13 -1.51 -1.15 0.22 116.25 117.07 2z0r h VAL 100 Ca 0.18 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.65 2z0r h VAL 100 Cb 0.24 0.44 0.00 0.00 -2.13 0.00 0.00 31.29 29.83 2z0r h VAL 100 CO -0.28 0.00 0.00 0.54 -1.23 0.00 0.00 177.57 176.60 2z0r n ARG 101 N -2.35 0.70 0.09 5.19 1.74 -0.68 -1.76 116.66 119.59 2z0r n ARG 101 Ca -0.01 0.01 0.10 0.00 -0.77 0.00 0.00 57.85 57.18 2z0r n ARG 101 Cb 0.31 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.23 2z0r n ARG 101 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2z0r n ARG 102 N -1.10 0.61 0.00 5.56 1.74 0.76 -5.16 116.66 119.07 2z0r n ARG 102 Ca 0.18 0.13 0.14 0.00 -0.77 0.00 0.00 57.85 57.53 2z0r n ARG 102 Cb 0.14 -1.82 0.48 0.00 -1.02 0.00 0.00 32.46 30.24 2z0r n ARG 102 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11