#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2z0r h SER 6 N 0.00 0.00 -0.82 -1.43 4.64 -2.02 -3.46 113.55 110.46 2z0r h SER 6 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2z0r h SER 6 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2z0r h SER 6 CO 0.00 0.46 0.00 0.61 -0.87 0.00 0.00 176.83 177.03 2z0r n GLY 7 N 0.47 0.26 3.65 -0.77 0.00 -1.26 -5.00 105.19 102.53 2z0r n GLY 7 Ca 0.00 -1.79 -0.43 0.00 0.00 0.00 0.00 46.02 43.81 2z0r n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2z0r s THR 8 N 0.73 3.85 0.36 2.61 2.01 -1.26 -4.98 115.64 118.97 2z0r s THR 8 Ca 0.00 1.00 -0.25 0.00 0.31 0.00 0.00 61.69 62.75 2z0r s THR 8 Cb 0.00 -3.76 -0.10 0.00 0.01 0.00 0.00 72.50 68.66 2z0r s THR 8 CO 0.00 -0.21 0.99 0.26 -0.69 0.00 0.00 174.62 174.97 2z0r s TRP 9 N 4.38 3.50 -0.16 4.92 0.52 -0.95 -4.60 118.94 126.56 2z0r s TRP 9 Ca 0.66 1.71 0.02 0.00 0.02 0.00 0.00 56.10 58.51 2z0r s TRP 9 Cb -0.26 -3.01 0.02 0.00 -1.15 0.00 0.00 33.47 29.07 2z0r s TRP 9 CO 0.25 -0.16 -0.20 0.71 0.02 0.00 0.00 176.95 177.58 2z0r s TYR 10 N -1.67 2.60 0.29 -1.98 2.02 0.47 -0.22 117.35 118.86 2z0r s TYR 10 Ca 0.54 -1.42 0.03 0.00 -0.37 0.00 0.00 57.07 55.85 2z0r s TYR 10 Cb -0.19 -1.80 -0.06 0.00 -0.40 0.00 0.00 41.96 39.51 2z0r s TYR 10 CO 0.25 -0.69 0.04 0.14 -1.57 0.00 0.00 175.55 173.72 2z0r s VAL 11 N 1.10 1.07 -0.12 0.71 -7.23 -0.40 0.03 120.40 115.57 2z0r s VAL 11 Ca -0.01 -2.02 -0.13 0.00 -1.81 0.00 0.00 61.98 58.02 2z0r s VAL 11 Cb -0.14 -2.64 -0.05 0.00 0.56 0.00 0.00 36.38 34.11 2z0r s VAL 11 CO -0.08 -0.10 0.30 -0.76 -0.31 0.00 0.00 175.10 174.16 2z0r s LEU 12 N -3.41 4.31 0.04 1.32 1.02 -1.26 -1.08 118.68 119.62 2z0r s LEU 12 Ca 0.34 0.60 0.05 0.00 0.02 0.00 0.00 54.13 55.15 2z0r s LEU 12 Cb 0.08 -2.38 -0.02 0.00 0.02 0.00 0.00 46.19 43.88 2z0r s LEU 12 CO 0.13 0.19 -0.14 -1.61 0.02 0.00 0.00 176.35 174.94 2z0r s GLU 13 N -0.05 0.93 0.00 1.70 2.02 -0.30 -4.69 118.70 118.30 2z0r s GLU 13 Ca 0.18 -0.78 0.00 0.00 0.02 0.00 0.00 54.97 54.39 2z0r s GLU 13 Cb -0.14 -0.94 0.00 0.00 0.10 0.00 0.00 34.13 33.16 2z0r s GLU 13 CO 0.06 0.23 0.00 0.41 0.02 0.00 0.00 175.26 175.98 2z0r n GLY 14 N 1.83 2.53 3.81 -1.39 0.00 -1.26 -0.92 105.19 109.79 2z0r n GLY 14 Ca -0.18 -0.31 -0.33 0.00 0.00 0.00 0.00 46.02 45.20 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 1.00 6.03 0.24 1.61 1.01 -1.26 -4.92 116.67 120.37 2z0r s ASP 15 Ca 0.00 1.78 -0.31 0.00 0.71 0.00 0.00 52.55 54.72 2z0r s ASP 15 Cb 0.00 -2.53 -0.12 0.00 1.01 0.00 0.00 42.92 41.28 2z0r s ASP 15 CO 0.00 -1.00 1.63 -2.65 0.21 0.00 0.00 175.17 173.36 2z0r n PRO 16 N -1.81 2.61 -0.89 8.23 -0.02 -1.26 -0.95 135.00 140.90 2z0r n PRO 16 Ca 0.08 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.50 2z0r n PRO 16 Cb 0.53 -2.73 0.00 0.00 -0.02 0.00 0.00 33.50 31.28 2z0r n PRO 16 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2z0r n GLY 17 N 3.07 0.66 3.77 -1.23 0.00 -1.26 -5.02 105.19 105.18 2z0r n GLY 17 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 2z0r n GLY 17 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2z0r s GLU 18 N -0.11 3.97 -0.00 1.61 2.12 -0.12 -5.07 118.70 121.09 2z0r s GLU 18 Ca 0.00 -0.19 0.03 0.00 0.36 0.00 0.00 54.97 55.17 2z0r s GLU 18 Cb 0.00 -3.35 -0.01 0.00 0.26 0.00 0.00 34.13 31.03 2z0r s GLU 18 CO 0.00 0.44 -0.09 -1.01 -0.54 0.00 0.00 175.26 174.06 2z0r s HIS 19 N -0.05 0.78 -0.50 5.30 3.76 -1.26 -4.21 115.29 119.11 2z0r s HIS 19 Ca 0.10 -0.16 -0.28 0.00 -0.15 0.00 0.00 55.06 54.57 2z0r s HIS 19 Cb -0.11 -0.50 0.01 0.00 1.11 0.00 0.00 32.58 33.09 2z0r s HIS 19 CO -0.00 -0.01 1.41 -1.17 -0.85 0.00 0.00 174.74 174.11 2z0r s LEU 20 N -0.28 3.48 -0.06 0.89 0.20 -1.26 -4.97 118.68 116.69 2z0r s LEU 20 Ca 0.03 0.51 0.03 0.00 0.69 0.00 0.00 54.13 55.39 2z0r s LEU 20 Cb -0.04 -3.27 -0.02 0.00 -0.43 0.00 0.00 46.19 42.43 2z0r s LEU 20 CO -0.00 -1.59 -0.14 -0.69 -0.29 0.00 0.00 176.35 173.64 2z0r s VAL 21 N 5.78 3.05 0.02 1.68 1.01 -1.26 -4.49 120.40 126.19 2z0r s VAL 21 Ca 0.56 -0.72 0.08 0.00 0.00 0.00 0.00 61.98 61.90 2z0r s VAL 21 Cb -0.12 -2.20 -0.02 0.00 0.00 0.00 0.00 36.38 34.04 2z0r s VAL 21 CO 0.28 0.58 -0.25 -0.69 0.00 0.00 0.00 175.10 175.03 2z0r s VAL 22 N -0.62 2.02 -0.29 2.92 1.01 0.12 -4.94 120.40 120.62 2z0r s VAL 22 Ca 0.09 -1.22 -0.07 0.00 0.00 0.00 0.00 61.98 60.78 2z0r s VAL 22 Cb -0.11 -1.70 0.00 0.00 0.00 0.00 0.00 36.38 34.57 2z0r s VAL 22 CO 0.01 0.44 0.07 -1.61 0.00 0.00 0.00 175.10 174.01 2z0r s GLU 23 N -0.93 3.17 0.01 2.72 2.02 -1.26 0.47 118.70 124.90 2z0r s GLU 23 Ca 0.10 -0.80 -0.29 0.00 0.02 0.00 0.00 54.97 54.01 2z0r s GLU 23 Cb -0.10 -3.35 0.10 0.00 0.10 0.00 0.00 34.13 30.88 2z0r s GLU 23 CO 0.01 -0.40 0.97 0.00 0.02 0.00 0.00 175.26 175.85 2z0r s ALA 24 N 1.51 -1.84 -1.81 5.21 0.00 -0.53 -4.96 121.76 119.35 2z0r s ALA 24 Ca 0.03 0.87 0.00 0.00 0.00 0.00 0.00 51.96 52.86 2z0r s ALA 24 Cb -0.17 0.40 0.00 0.00 0.00 0.00 0.00 23.12 23.35 2z0r s ALA 24 CO 0.02 -0.78 0.00 1.28 0.00 0.00 0.00 175.76 176.29 2z0r n LEU 25 N -0.29 -1.80 -0.15 0.00 4.77 -1.26 -1.20 117.00 117.07 2z0r n LEU 25 Ca -0.07 0.11 -0.02 0.00 -0.03 0.00 0.00 56.01 56.00 2z0r n LEU 25 Cb 0.61 -2.81 -0.01 0.00 -2.33 0.00 0.00 43.42 38.88 2z0r n LEU 25 CO 0.11 -0.41 -0.02 0.61 -1.33 0.00 0.00 177.39 176.35 2z0r n GLY 26 N -0.90 0.40 3.26 -0.72 0.00 -1.26 -4.97 105.19 100.99 2z0r n GLY 26 Ca -0.23 -0.08 -0.14 0.00 0.00 0.00 0.00 46.02 45.57 2z0r n GLY 26 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2z0r s GLU 27 N -1.43 1.18 -0.27 1.61 2.02 -0.34 -5.12 118.70 116.34 2z0r s GLU 27 Ca 0.00 -1.58 -0.12 0.00 0.02 0.00 0.00 54.97 53.29 2z0r s GLU 27 Cb 0.00 -0.26 -0.05 0.00 0.10 0.00 0.00 34.13 33.92 2z0r s GLU 27 CO 0.00 -0.17 0.24 1.03 0.02 0.00 0.00 175.26 176.38 2z0r s ARG 28 N -3.94 3.99 0.13 1.61 0.52 -1.26 -1.45 118.95 118.54 2z0r s ARG 28 Ca 0.27 -0.21 0.10 0.00 -0.52 0.00 0.00 55.73 55.38 2z0r s ARG 28 Cb 0.06 -3.64 -0.04 0.00 0.52 0.00 0.00 34.95 31.86 2z0r s ARG 28 CO 0.06 -0.16 -0.26 -0.51 0.02 0.00 0.00 175.30 174.45 2z0r s LEU 29 N 1.71 2.32 0.00 2.53 1.43 0.18 -2.67 118.68 124.17 2z0r s LEU 29 Ca 0.09 -0.74 0.00 0.00 -1.03 0.00 0.00 54.13 52.45 2z0r s LEU 29 Cb -0.16 -1.16 0.00 0.00 0.03 0.00 0.00 46.19 44.91 2z0r s LEU 29 CO 0.10 0.16 0.00 -0.24 0.23 0.00 0.00 176.35 176.59 2z0r n SER 30 N 0.94 0.45 -3.51 2.29 2.88 -0.87 0.13 113.62 115.93 2z0r n SER 30 Ca -0.18 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.20 2z0r n SER 30 Cb 0.53 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.94 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 0.00 -0.54 0.09 0.46 0.00 -1.26 -4.32 107.32 101.74 2z0r s GLY 31 Ca 0.00 1.24 0.03 0.00 0.00 0.00 0.00 44.72 45.99 2z0r s GLY 31 CO 0.00 0.78 -0.10 -0.26 0.00 0.00 0.00 173.10 173.53 2z0r s ILE 32 N -1.77 0.86 0.21 0.90 -4.36 -1.26 -4.59 121.20 111.18 2z0r s ILE 32 Ca -0.07 -1.54 0.10 0.00 -0.26 0.00 0.00 60.65 58.89 2z0r s ILE 32 Cb -0.00 -1.23 -0.05 0.00 1.25 0.00 0.00 42.46 42.43 2z0r s ILE 32 CO 0.03 -0.53 -0.21 0.26 0.24 0.00 0.00 174.94 174.74 2z0r s TRP 33 N -2.26 2.12 -2.57 1.37 0.51 0.11 -1.35 118.94 116.87 2z0r s TRP 33 Ca 0.03 -0.40 0.26 0.00 -2.12 0.00 0.00 56.10 53.86 2z0r s TRP 33 Cb -0.04 -1.01 0.54 0.00 -0.81 0.00 0.00 33.47 32.15 2z0r s TRP 33 CO -0.00 0.50 1.45 0.25 -0.51 0.00 0.00 176.95 178.63 2z0r n THR 34 N 0.01 0.00 -3.77 2.01 -2.24 -1.26 -0.39 114.28 108.63 2z0r n THR 34 Ca -0.10 -0.34 -0.13 0.00 -2.27 0.00 0.00 64.05 61.21 2z0r n THR 34 Cb 0.58 0.99 -0.09 0.00 -2.10 0.00 0.00 70.33 69.71 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 -2.11 -0.16 0.14 3.42 1.04 -1.26 -4.84 113.70 109.93 2z0r s SER 35 Ca 0.30 0.01 -0.16 0.00 0.48 0.00 0.00 55.95 56.58 2z0r s SER 35 Cb 0.20 0.31 0.00 0.00 0.10 0.00 0.00 66.02 66.63 2z0r s SER 35 CO 0.37 -0.47 1.72 -0.09 0.98 0.00 0.00 173.24 175.75 2z0r h ARG 36 N 3.79 0.58 -0.57 4.02 2.43 -1.92 -2.85 114.38 119.86 2z0r h ARG 36 Ca -0.30 -0.08 -0.02 0.00 -0.81 0.00 0.00 59.98 58.76 2z0r h ARG 36 Cb 1.18 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 30.60 2z0r h ARG 36 CO 0.41 0.50 0.26 0.93 -1.51 0.00 0.00 179.97 180.56 2z0r h GLU 37 N 0.52 0.81 0.13 0.20 5.08 -1.97 0.11 114.58 119.46 2z0r h GLU 37 Ca 0.14 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 2z0r h GLU 37 Cb 0.10 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.20 2z0r h GLU 37 CO -0.02 0.64 -0.06 -0.07 -1.00 0.00 0.00 179.01 178.50 2z0r h LEU 38 N 0.81 -0.15 -1.05 1.33 3.38 -1.95 0.23 115.31 117.90 2z0r h LEU 38 Ca 0.20 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 2z0r h LEU 38 Cb 0.11 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 2z0r h LEU 38 CO -0.02 0.07 0.54 0.00 0.09 0.00 0.00 178.44 179.12 2z0r h ALA 39 N 0.46 1.29 -0.07 1.53 0.00 -1.27 -0.34 119.26 120.86 2z0r h ALA 39 Ca -0.02 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 2z0r h ALA 39 Cb 0.30 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2z0r h ALA 39 CO 0.03 0.61 -0.28 0.93 0.00 0.00 0.00 179.25 180.55 2z0r h GLU 40 N 1.21 0.13 -0.15 0.00 4.39 -0.59 0.29 114.58 119.86 2z0r h GLU 40 Ca 0.32 -0.04 -0.11 0.00 0.34 0.00 0.00 59.36 59.86 2z0r h GLU 40 Cb -0.07 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.57 2z0r h GLU 40 CO -0.06 0.40 -0.35 0.00 -1.16 0.00 0.00 179.01 177.84 2z0r h ALA 41 N 1.60 0.24 -0.61 3.43 0.00 0.73 -0.84 119.26 123.80 2z0r h ALA 41 Ca 0.02 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.46 2z0r h ALA 41 Cb 0.56 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 2z0r h ALA 41 CO 0.04 0.30 0.28 0.35 0.00 0.00 0.00 179.25 180.22 2z0r h PHE 42 N 0.12 0.91 -0.67 0.00 3.57 -0.73 -2.73 116.94 117.39 2z0r h PHE 42 Ca -0.00 -0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.45 2z0r h PHE 42 Cb 0.96 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 39.39 2z0r h PHE 42 CO 0.10 0.70 0.44 1.25 -2.23 0.00 0.00 178.31 178.58 2z0r h LEU 43 N 0.85 0.78 -2.14 0.59 6.46 -0.35 -1.67 115.31 119.83 2z0r h LEU 43 Ca 0.21 -0.02 0.04 0.00 -0.12 0.00 0.00 57.88 57.98 2z0r h LEU 43 Cb 0.15 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 39.88 2z0r h LEU 43 CO -0.02 0.57 0.11 0.00 -0.62 0.00 0.00 178.44 178.47 2z0r h ALA 44 N 1.24 1.96 -0.01 1.25 0.00 -0.85 -0.72 119.26 122.13 2z0r h ALA 44 Ca 0.25 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2z0r h ALA 44 Cb -0.10 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2z0r h ALA 44 CO -0.05 -0.18 -0.07 0.72 0.00 0.00 0.00 179.25 179.67 2z0r n HIS 45 N -4.22 0.00 -3.26 0.00 8.25 -0.64 -4.37 115.22 110.97 2z0r n HIS 45 Ca 0.00 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.21 2z0r n HIS 45 Cb 0.23 -0.04 -0.07 0.00 1.12 0.00 0.00 29.99 31.23 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 -0.21 2.25 -1.06 4.41 8.25 -0.28 -5.11 115.22 123.47 2z0r n HIS 46 Ca 0.18 -3.93 -0.31 0.00 -0.26 0.00 0.00 57.72 53.39 2z0r n HIS 46 Cb 0.32 -0.48 0.12 0.00 1.12 0.00 0.00 29.99 31.08 2z0r n HIS 46 CO 0.00 0.00 0.00 -2.14 0.64 0.00 0.00 176.34 174.84 2z0r s PRO 47 N -2.25 1.70 -1.58 -0.41 0.02 -1.26 -4.17 135.00 127.04 2z0r s PRO 47 Ca 0.40 1.24 0.00 0.00 0.02 0.00 0.00 61.00 62.66 2z0r s PRO 47 Cb 0.19 -1.83 0.00 0.00 0.02 0.00 0.00 34.50 32.89 2z0r s PRO 47 CO -0.06 -2.06 0.00 0.72 -0.33 0.00 0.00 177.00 175.27 2z0r n HIS 48 N -3.81 -0.42 0.18 6.54 8.25 -1.26 -4.87 115.22 119.82 2z0r n HIS 48 Ca 0.10 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.60 2z0r n HIS 48 Cb 0.53 -3.14 0.06 0.00 1.12 0.00 0.00 29.99 28.56 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 -2.16 2.04 -2.91 2.41 4.77 -1.26 -5.27 117.00 114.62 2z0r n LEU 49 Ca -0.18 -1.35 -0.08 0.00 -0.03 0.00 0.00 56.01 54.36 2z0r n LEU 49 Cb 0.60 -0.06 0.01 0.00 -2.33 0.00 0.00 43.42 41.64 2z0r n LEU 49 CO 0.24 0.45 0.08 0.61 -1.33 0.00 0.00 177.39 177.44 2z0r n GLY 50 N 0.39 -1.25 0.00 -0.72 0.00 -1.26 -4.95 105.19 97.39 2z0r n GLY 50 Ca 0.06 1.15 0.00 0.00 0.00 0.00 0.00 46.02 47.23 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 -0.51 0.00 -3.35 1.61 1.85 -0.10 -4.55 116.66 111.61 2z0r n ARG 52 Ca 0.09 0.00 -0.38 0.00 -1.00 0.00 0.00 57.85 56.57 2z0r n ARG 52 Cb 0.48 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 31.82 2z0r n ARG 52 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 2z0r s VAL 53 N -2.00 5.20 0.06 8.89 1.01 -1.26 -1.15 120.40 131.15 2z0r s VAL 53 Ca 0.00 0.87 0.03 0.00 0.00 0.00 0.00 61.98 62.88 2z0r s VAL 53 Cb 0.00 -3.78 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 2z0r s VAL 53 CO 0.00 0.32 -0.10 -0.94 0.00 0.00 0.00 175.10 174.38 2z0r s SER 54 N 0.67 1.21 -0.10 3.32 1.04 -0.24 -4.97 113.70 114.62 2z0r s SER 54 Ca 0.24 -0.63 -0.06 0.00 0.48 0.00 0.00 55.95 55.97 2z0r s SER 54 Cb -0.15 0.01 -0.04 0.00 0.10 0.00 0.00 66.02 65.94 2z0r s SER 54 CO 0.09 -0.19 0.14 0.00 0.98 0.00 0.00 173.24 174.26 2z0r s ALA 55 N -1.63 3.86 -0.49 5.32 0.00 -1.26 -1.27 121.76 126.29 2z0r s ALA 55 Ca -0.04 -0.66 -0.03 0.00 0.00 0.00 0.00 51.96 51.22 2z0r s ALA 55 Cb -0.08 -1.93 0.13 0.00 0.00 0.00 0.00 23.12 21.23 2z0r s ALA 55 CO 0.01 0.63 0.29 -0.51 0.00 0.00 0.00 175.76 176.18 2z0r s LEU 56 N -1.13 5.26 0.00 0.00 1.43 0.69 -4.95 118.68 119.98 2z0r s LEU 56 Ca 0.16 -2.33 0.01 0.00 -1.03 0.00 0.00 54.13 50.95 2z0r s LEU 56 Cb -0.12 -1.84 -0.26 0.00 0.03 0.00 0.00 46.19 44.00 2z0r s LEU 56 CO 0.06 -0.48 0.84 -0.33 0.23 0.00 0.00 176.35 176.66 2z0r h GLU 57 N 7.69 0.16 -6.54 1.70 3.07 -1.94 -2.51 114.58 116.21 2z0r h GLU 57 Ca -0.09 -0.28 -0.43 0.00 -0.50 0.00 0.00 59.36 58.06 2z0r h GLU 57 Cb 1.01 0.10 0.03 0.00 -0.84 0.00 0.00 28.75 29.05 2z0r h GLU 57 CO 0.71 0.98 -0.20 -1.54 -1.40 0.00 0.00 179.01 177.55 2z0r s SER 58 N -6.76 5.62 0.27 1.42 1.04 -1.26 -4.77 113.70 109.26 2z0r s SER 58 Ca -0.08 -0.23 0.09 0.00 0.48 0.00 0.00 55.95 56.22 2z0r s SER 58 Cb 0.07 -0.86 0.36 0.00 0.10 0.00 0.00 66.02 65.69 2z0r s SER 58 CO 0.84 -0.80 1.62 0.03 0.98 0.00 0.00 173.24 175.90 2z0r h ARG 59 N 0.51 0.05 -0.39 4.02 3.08 -1.93 -1.76 114.38 117.96 2z0r h ARG 59 Ca -0.42 -0.03 -0.09 0.00 0.07 0.00 0.00 59.98 59.51 2z0r h ARG 59 Cb 1.28 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.32 2z0r h ARG 59 CO 0.49 0.63 -0.10 0.00 -1.07 0.00 0.00 179.97 179.92 2z0r h ALA 60 N 1.36 0.54 -0.26 0.04 0.00 -1.94 -0.27 119.26 118.74 2z0r h ALA 60 Ca -0.01 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.48 2z0r h ALA 60 Cb 1.07 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 2z0r h ALA 60 CO 0.08 0.41 -0.25 -0.07 0.00 0.00 0.00 179.25 179.42 2z0r h LEU 61 N 0.57 0.67 -0.37 0.00 4.07 -1.93 -1.85 115.31 116.47 2z0r h LEU 61 Ca 0.10 -0.47 -0.01 0.00 0.08 0.00 0.00 57.88 57.58 2z0r h LEU 61 Cb 0.62 -0.19 -0.02 0.00 1.08 0.00 0.00 40.66 42.15 2z0r h LEU 61 CO 0.04 1.00 0.21 0.11 -1.08 0.00 0.00 178.44 178.72 2z0r h LYS 62 N 0.34 0.51 -0.54 1.13 1.57 -1.28 -1.52 116.57 116.78 2z0r h LYS 62 Ca 0.04 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.71 2z0r h LYS 62 Cb 0.81 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.00 2z0r h LYS 62 CO 0.06 0.41 0.14 1.49 -0.57 0.00 0.00 179.45 180.98 2z0r h GLU 63 N 0.47 0.87 -0.92 3.15 4.81 -1.04 -1.07 114.58 120.85 2z0r h GLU 63 Ca 0.13 -0.21 0.01 0.00 -0.13 0.00 0.00 59.36 59.17 2z0r h GLU 63 Cb 0.04 -0.12 -0.05 0.00 0.63 0.00 0.00 28.75 29.26 2z0r h GLU 63 CO -0.02 0.82 0.61 0.00 -0.73 0.00 0.00 179.01 179.68 2z0r h ALA 64 N 1.02 1.36 -0.40 2.92 0.00 -1.16 0.31 119.26 123.30 2z0r h ALA 64 Ca 0.17 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2z0r h ALA 64 Cb 0.33 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2z0r h ALA 64 CO 0.00 0.59 0.22 -0.92 0.00 0.00 0.00 179.25 179.15 2z0r h TYR 65 N 1.23 0.55 -0.09 0.00 3.20 -0.77 -2.54 116.97 118.55 2z0r h TYR 65 Ca 0.34 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 62.10 2z0r h TYR 65 Cb -0.12 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 37.96 2z0r h TYR 65 CO -0.00 0.41 -0.41 -0.07 -1.64 0.00 0.00 178.16 176.46 2z0r h LEU 66 N 0.52 0.21 -0.76 2.82 3.38 -0.47 -2.55 115.31 118.44 2z0r h LEU 66 Ca 0.14 -0.08 -0.13 0.00 0.09 0.00 0.00 57.88 57.90 2z0r h LEU 66 Cb 0.05 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2z0r h LEU 66 CO -0.02 0.60 -0.48 0.03 0.09 0.00 0.00 178.44 178.65 2z0r h ARG 67 N 0.17 0.33 -0.19 1.13 3.08 -0.81 -0.70 114.38 117.39 2z0r h ARG 67 Ca 0.02 -0.18 -0.10 0.00 0.07 0.00 0.00 59.98 59.79 2z0r h ARG 67 Cb 0.79 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.85 2z0r h ARG 67 CO 0.06 0.74 -0.25 0.00 -1.07 0.00 0.00 179.97 179.45 2z0r h ALA 68 N 1.23 0.29 -0.78 0.04 0.00 -1.29 -2.94 119.26 115.82 2z0r h ALA 68 Ca 0.01 -0.38 0.03 0.00 0.00 0.00 0.00 54.91 54.57 2z0r h ALA 68 Cb 0.95 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.63 2z0r h ALA 68 CO 0.08 0.27 0.50 -0.07 0.00 0.00 0.00 179.25 180.03 2z0r h LEU 69 N 0.18 0.82 -1.59 0.00 3.38 -1.33 -0.95 115.31 115.82 2z0r h LEU 69 Ca 0.02 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2z0r h LEU 69 Cb 0.82 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.39 2z0r h LEU 69 CO 0.06 0.57 0.00 0.61 0.09 0.00 0.00 178.44 179.77 2z0r n GLY 70 N -1.31 0.00 0.00 0.83 0.00 -0.28 -1.34 105.19 103.09 2z0r n GLY 70 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 0.73 0.00 -2.92 0.99 4.77 -0.36 -4.44 117.00 115.77 2z0r n LEU 72 Ca 0.00 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.76 2z0r n LEU 72 Cb 0.00 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.11 2z0r n LEU 72 CO 0.00 0.00 -0.06 0.00 -1.33 0.00 0.00 177.39 176.00 2z0r n GLN 73 N 0.00 -4.16 -3.42 3.23 1.13 -0.83 -4.96 117.38 108.37 2z0r n GLN 73 Ca 0.00 0.89 -0.41 0.00 -1.94 0.00 0.00 57.00 55.54 2z0r n GLN 73 Cb 0.00 -5.70 -0.09 0.00 0.11 0.00 0.00 30.24 24.55 2z0r n GLN 73 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 2z0r s VAL 74 N -3.12 5.18 -0.14 5.09 1.01 -0.45 -4.54 120.40 123.44 2z0r s VAL 74 Ca 0.25 -0.07 0.17 0.00 0.00 0.00 0.00 61.98 62.34 2z0r s VAL 74 Cb -0.11 -3.83 -0.12 0.00 0.00 0.00 0.00 36.38 32.32 2z0r s VAL 74 CO 0.31 -0.12 0.86 -0.33 0.00 0.00 0.00 175.10 175.82 2z0r h GLU 75 N 8.50 0.00 -4.11 2.72 5.08 -1.81 -3.39 114.58 121.57 2z0r h GLU 75 Ca -0.30 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 57.95 2z0r h GLU 75 Cb 1.14 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 30.24 2z0r h GLU 75 CO 0.70 0.25 -0.62 0.00 -1.00 0.00 0.00 179.01 178.34 2z0r s ALA 76 N -2.98 0.30 0.00 3.43 0.00 -1.22 -0.31 121.76 120.98 2z0r s ALA 76 Ca -0.02 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 50.94 2z0r s ALA 76 Cb 0.09 0.29 0.00 0.00 0.00 0.00 0.00 23.12 23.50 2z0r s ALA 76 CO 0.81 -0.37 0.00 1.33 0.00 0.00 0.00 175.76 177.53 2z0r n VAL 77 N 0.27 0.00 -3.65 0.00 0.24 -0.40 -2.05 118.33 112.74 2z0r n VAL 77 Ca -0.15 0.00 -0.05 0.00 -2.04 0.00 0.00 64.34 62.09 2z0r n VAL 77 Cb 0.60 0.00 -0.07 0.00 -1.47 0.00 0.00 33.84 32.91 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 1.77 -0.46 -1.45 3.34 1.01 0.12 -1.57 120.40 123.17 2z0r s VAL 79 Ca 0.00 0.03 -0.06 0.00 0.00 0.00 0.00 61.98 61.95 2z0r s VAL 79 Cb 0.00 -0.92 0.04 0.00 0.00 0.00 0.00 36.38 35.50 2z0r s VAL 79 CO 0.00 0.01 0.67 0.47 0.00 0.00 0.00 175.10 176.25 2z0r n ASP 80 N 4.87 -1.92 -4.68 3.32 8.00 -0.46 -4.40 116.55 121.27 2z0r n ASP 80 Ca -0.16 -0.91 -0.43 0.00 0.71 0.00 0.00 54.79 54.01 2z0r n ASP 80 Cb 0.54 -3.48 -0.03 0.00 -0.02 0.00 0.00 41.12 38.13 2z0r n ASP 80 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2z0r n TYR 81 N -4.42 2.55 -4.20 1.24 9.36 -1.26 -4.99 117.16 115.44 2z0r n TYR 81 Ca -0.18 -0.19 -0.19 0.00 3.32 0.00 0.00 57.90 60.65 2z0r n TYR 81 Cb 0.62 -2.74 -0.12 0.00 -0.63 0.00 0.00 39.34 36.47 2z0r n TYR 81 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 2z0r s ARG 82 N 3.32 0.88 0.48 2.98 0.52 -1.26 -4.87 118.95 121.00 2z0r s ARG 82 Ca 0.85 -0.99 0.33 0.00 -0.52 0.00 0.00 55.73 55.40 2z0r s ARG 82 Cb -0.49 -0.93 1.74 0.00 0.52 0.00 0.00 34.95 35.79 2z0r s ARG 82 CO 0.40 0.21 2.00 -1.35 0.02 0.00 0.00 175.30 176.58 2z0r h PRO 83 N 4.27 0.00 -1.39 3.54 0.11 -2.01 -3.39 132.00 133.13 2z0r h PRO 83 Ca -0.42 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.65 2z0r h PRO 83 Cb 1.19 0.00 -0.25 0.00 0.11 0.00 0.00 31.00 32.05 2z0r h PRO 83 CO 0.40 0.00 -0.40 0.20 -0.21 0.00 0.00 178.00 177.99 2z0r s GLY 84 N -3.84 -0.81 0.00 -0.55 0.00 -1.26 -5.15 107.32 95.72 2z0r s GLY 84 Ca -0.03 1.10 0.00 0.00 0.00 0.00 0.00 44.72 45.79 2z0r s GLY 84 CO 0.31 3.18 0.00 -1.30 0.00 0.00 0.00 173.10 175.29 2z0r n THR 85 N 5.39 0.00 0.00 0.90 -2.24 -1.26 -5.13 114.28 111.95 2z0r n THR 85 Ca -0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2z0r n THR 85 Cb 0.51 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 2z0r n THR 85 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2z0r n HIS 86 N 0.00 0.00 -4.26 4.78 8.25 -1.26 -4.99 115.22 117.74 2z0r n HIS 86 Ca 0.00 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.31 2z0r n HIS 86 Cb 0.00 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.01 2z0r n HIS 86 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2z0r s ARG 87 N 0.00 1.09 0.52 -0.41 1.81 -1.26 -5.13 118.95 115.57 2z0r s ARG 87 Ca 0.00 -1.47 -0.21 0.00 -1.72 0.00 0.00 55.73 52.33 2z0r s ARG 87 Cb 0.00 -0.66 -0.06 0.00 -0.45 0.00 0.00 34.95 33.78 2z0r s ARG 87 CO 0.00 0.08 1.16 0.00 -0.68 0.00 0.00 175.30 175.86 2z0r s ALA 88 N -3.31 2.78 -0.40 2.13 0.00 -1.26 -4.99 121.76 116.72 2z0r s ALA 88 Ca 0.17 0.91 -0.11 0.00 0.00 0.00 0.00 51.96 52.94 2z0r s ALA 88 Cb 0.02 -3.39 0.05 0.00 0.00 0.00 0.00 23.12 19.81 2z0r s ALA 88 CO 0.01 -0.81 0.24 -0.65 0.00 0.00 0.00 175.76 174.55 2z0r s GLN 89 N -3.06 2.74 -0.19 0.00 -0.21 -1.26 -5.01 119.66 112.67 2z0r s GLN 89 Ca 0.70 -1.25 -0.09 0.00 0.02 0.00 0.00 55.36 54.74 2z0r s GLN 89 Cb -0.27 -3.77 -0.05 0.00 1.00 0.00 0.00 33.01 29.92 2z0r s GLN 89 CO 0.31 -0.82 0.11 0.08 -2.12 0.00 0.00 175.29 172.85 2z0r s VAL 90 N 1.51 5.26 -0.09 1.09 1.01 -1.26 -0.70 120.40 127.22 2z0r s VAL 90 Ca 0.02 0.13 0.04 0.00 0.00 0.00 0.00 61.98 62.17 2z0r s VAL 90 Cb -0.21 -3.38 0.00 0.00 0.00 0.00 0.00 36.38 32.79 2z0r s VAL 90 CO 0.05 0.46 -0.22 0.00 0.00 0.00 0.00 175.10 175.40 2z0r s ALA 91 N 0.22 1.97 0.21 5.51 0.00 -0.61 -4.97 121.76 124.10 2z0r s ALA 91 Ca 0.08 -0.86 -0.30 0.00 0.00 0.00 0.00 51.96 50.88 2z0r s ALA 91 Cb -0.11 -0.74 -0.09 0.00 0.00 0.00 0.00 23.12 22.18 2z0r s ALA 91 CO -0.01 0.27 1.25 1.03 0.00 0.00 0.00 175.76 178.30 2z0r s ARG 92 N 0.34 4.44 0.34 0.00 0.52 -1.26 -1.28 118.95 122.06 2z0r s ARG 92 Ca -0.16 1.98 0.03 0.00 -0.52 0.00 0.00 55.73 57.05 2z0r s ARG 92 Cb -0.17 -3.20 0.63 0.00 0.52 0.00 0.00 34.95 32.73 2z0r s ARG 92 CO 0.07 -0.16 1.99 0.28 0.02 0.00 0.00 175.30 177.50 2z0r h VAL 93 N 3.66 1.13 -0.32 3.52 2.07 -0.96 -1.49 116.25 123.84 2z0r h VAL 93 Ca -0.45 -0.30 0.01 0.00 0.82 0.00 0.00 66.70 66.78 2z0r h VAL 93 Cb 1.21 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 2z0r h VAL 93 CO 0.75 0.16 0.19 0.50 0.02 0.00 0.00 177.57 179.19 2z0r h LYS 94 N 0.88 0.39 -0.18 1.57 3.64 -1.91 0.45 116.57 121.40 2z0r h LYS 94 Ca 0.27 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.53 2z0r h LYS 94 Cb 0.01 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 2z0r h LYS 94 CO -0.07 0.26 -0.32 -0.44 -2.27 0.00 0.00 179.45 176.61 2z0r h ASP 95 N 0.40 0.38 -0.12 4.20 3.32 -1.76 -2.68 116.42 120.16 2z0r h ASP 95 Ca 0.13 -0.14 -0.06 0.00 0.02 0.00 0.00 57.03 56.98 2z0r h ASP 95 Cb -0.01 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.44 2z0r h ASP 95 CO -0.05 0.68 -0.15 -0.07 -1.72 0.00 0.00 179.24 177.93 2z0r h LEU 96 N 0.32 0.35 -2.12 1.55 3.38 -0.88 -2.28 115.31 115.63 2z0r h LEU 96 Ca 0.04 -0.50 0.08 0.00 0.09 0.00 0.00 57.88 57.59 2z0r h LEU 96 Cb 0.72 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 2z0r h LEU 96 CO 0.06 0.78 0.27 0.25 0.09 0.00 0.00 178.44 179.89 2z0r h LEU 97 N -0.08 0.00 0.13 1.67 6.46 -0.85 -0.97 115.31 121.68 2z0r h LEU 97 Ca 0.02 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.77 2z0r h LEU 97 Cb 0.69 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.63 2z0r h LEU 97 CO 0.04 0.00 -0.06 -0.08 -0.62 0.00 0.00 178.44 177.71 2z0r h GLU 98 N 0.00 -0.17 -0.12 1.25 4.57 -1.11 -1.20 114.58 117.79 2z0r h GLU 98 Ca 0.13 0.01 0.04 0.00 -1.18 0.00 0.00 59.36 58.36 2z0r h GLU 98 Cb 0.67 0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 29.29 2z0r h GLU 98 CO -0.00 0.29 0.09 0.93 -1.18 0.00 0.00 179.01 179.14 2z0r h GLU 99 N -0.74 0.00 0.00 1.92 5.08 -0.65 -3.07 114.58 117.11 2z0r h GLU 99 Ca -0.02 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 2z0r h GLU 99 Cb 0.54 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 2z0r h GLU 99 CO 0.03 0.00 -0.25 0.28 -1.00 0.00 0.00 179.01 178.07 2z0r h VAL 100 N 0.00 1.39 0.00 3.13 2.07 -1.30 -3.52 116.25 118.02 2z0r h VAL 100 Ca 0.06 -2.13 0.00 0.00 0.82 0.00 0.00 66.70 65.45 2z0r h VAL 100 Cb 0.25 2.71 0.00 0.00 -1.52 0.00 0.00 31.29 32.73 2z0r h VAL 100 CO -0.00 0.47 0.00 0.54 0.02 0.00 0.00 177.57 178.60