#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2z0r n SER 6 N 0.00 1.36 -0.95 1.96 3.41 -1.26 -4.97 113.62 113.17 2z0r n SER 6 Ca 0.00 -1.18 0.00 0.00 -0.26 0.00 0.00 58.87 57.43 2z0r n SER 6 Cb 0.00 0.72 0.00 0.00 -0.26 0.00 0.00 64.21 64.67 2z0r n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2z0r n GLY 7 N 1.35 1.15 3.76 5.00 0.00 -1.26 -5.02 105.19 110.16 2z0r n GLY 7 Ca 0.06 -1.89 -0.41 0.00 0.00 0.00 0.00 46.02 43.78 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 1.47 2.33 0.01 2.61 2.01 -1.26 -4.97 115.64 117.84 2z0r s THR 8 Ca 0.00 0.29 -0.03 0.00 0.31 0.00 0.00 61.69 62.26 2z0r s THR 8 Cb 0.00 -3.19 -0.04 0.00 0.01 0.00 0.00 72.50 69.28 2z0r s THR 8 CO 0.00 0.05 0.21 0.26 -0.69 0.00 0.00 174.62 174.46 2z0r s TRP 9 N -0.35 3.55 -0.08 4.92 0.51 -0.99 -4.69 118.94 121.80 2z0r s TRP 9 Ca 0.58 0.40 0.04 0.00 -2.12 0.00 0.00 56.10 55.00 2z0r s TRP 9 Cb -0.45 -1.86 0.00 0.00 -0.81 0.00 0.00 33.47 30.35 2z0r s TRP 9 CO 0.50 0.62 -0.21 0.71 -0.51 0.00 0.00 176.95 178.06 2z0r s TYR 10 N -1.36 2.24 0.20 -1.98 2.02 -0.26 -0.23 117.35 117.99 2z0r s TYR 10 Ca 0.29 -0.86 0.01 0.00 -0.37 0.00 0.00 57.07 56.14 2z0r s TYR 10 Cb -0.13 -1.51 -0.05 0.00 -0.40 0.00 0.00 41.96 39.87 2z0r s TYR 10 CO 0.19 -0.35 0.06 0.14 -1.57 0.00 0.00 175.55 174.03 2z0r s VAL 11 N 0.33 0.46 0.00 0.71 -7.23 -0.75 -1.12 120.40 112.80 2z0r s VAL 11 Ca -0.15 -1.98 0.01 0.00 -1.81 0.00 0.00 61.98 58.04 2z0r s VAL 11 Cb -0.17 -2.36 -0.04 0.00 0.56 0.00 0.00 36.38 34.37 2z0r s VAL 11 CO 0.07 -0.22 0.04 -0.76 -0.31 0.00 0.00 175.10 173.92 2z0r s LEU 12 N -3.21 3.72 -0.27 1.32 1.43 -1.26 0.07 118.68 120.48 2z0r s LEU 12 Ca 0.31 0.07 -0.26 0.00 -1.03 0.00 0.00 54.13 53.22 2z0r s LEU 12 Cb 0.07 -2.17 0.14 0.00 0.03 0.00 0.00 46.19 44.27 2z0r s LEU 12 CO 0.09 0.27 1.14 -1.83 0.23 0.00 0.00 176.35 176.25 2z0r s GLU 13 N -1.69 0.39 0.00 1.70 -1.05 -0.29 -3.60 118.70 114.15 2z0r s GLU 13 Ca 0.22 0.39 0.00 0.00 -0.15 0.00 0.00 54.97 55.43 2z0r s GLU 13 Cb -0.12 0.19 0.00 0.00 -0.44 0.00 0.00 34.13 33.76 2z0r s GLU 13 CO 0.13 -0.06 0.00 0.41 0.95 0.00 0.00 175.26 176.69 2z0r n GLY 14 N 1.82 1.67 3.38 -3.83 0.00 0.40 -1.70 105.19 106.93 2z0r n GLY 14 Ca -0.11 -1.83 -0.42 0.00 0.00 0.00 0.00 46.02 43.65 2z0r n GLY 14 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2z0r n ASP 15 N 0.00 -1.84 -0.24 1.61 10.43 -1.26 -4.43 116.55 120.82 2z0r n ASP 15 Ca 0.00 0.89 -0.03 0.00 2.57 0.00 0.00 54.79 58.22 2z0r n ASP 15 Cb 0.00 -0.99 -0.01 0.00 1.84 0.00 0.00 41.12 41.96 2z0r n ASP 15 CO 0.00 0.00 0.00 -2.65 -1.07 0.00 0.00 177.20 173.48 2z0r n PRO 16 N 0.99 0.00 0.00 -0.24 -0.02 -1.26 -2.31 135.00 132.16 2z0r n PRO 16 Ca 0.12 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 2z0r n PRO 16 Cb 0.38 -0.08 0.00 0.00 -0.02 0.00 0.00 33.50 33.78 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 0.38 2.07 3.54 -1.23 0.00 -1.26 -5.09 105.19 103.59 2z0r n GLY 17 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.61 3.83 0.02 1.61 -1.05 -0.98 -5.03 118.70 116.50 2z0r s GLU 18 Ca 0.00 -0.39 0.00 0.00 -0.15 0.00 0.00 54.97 54.43 2z0r s GLU 18 Cb 0.00 -3.43 0.00 0.00 -0.44 0.00 0.00 34.13 30.26 2z0r s GLU 18 CO 0.00 -0.10 0.02 0.72 0.95 0.00 0.00 175.26 176.86 2z0r n HIS 19 N 4.71 -2.38 -4.17 4.83 8.25 -1.26 -0.45 115.22 124.75 2z0r n HIS 19 Ca -0.15 -0.08 -0.34 0.00 -0.26 0.00 0.00 57.72 56.88 2z0r n HIS 19 Cb 0.52 -0.02 -0.11 0.00 1.12 0.00 0.00 29.99 31.50 2z0r n HIS 19 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 2z0r s LEU 20 N 0.00 3.47 -0.04 2.41 2.96 -1.24 -4.83 118.68 121.42 2z0r s LEU 20 Ca 0.02 -0.07 0.01 0.00 -0.22 0.00 0.00 54.13 53.87 2z0r s LEU 20 Cb -0.00 -1.86 0.02 0.00 0.50 0.00 0.00 46.19 44.84 2z0r s LEU 20 CO 0.01 0.14 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.44 2z0r s VAL 21 N 0.53 0.56 0.10 1.68 1.01 -1.26 -4.37 120.40 118.65 2z0r s VAL 21 Ca -0.00 -0.16 0.08 0.00 0.00 0.00 0.00 61.98 61.90 2z0r s VAL 21 Cb -0.14 -0.56 -0.03 0.00 0.00 0.00 0.00 36.38 35.65 2z0r s VAL 21 CO 0.02 0.22 -0.20 0.54 0.00 0.00 0.00 175.10 175.68 2z0r s VAL 22 N 0.74 1.64 -0.45 2.92 0.11 -0.13 -4.94 120.40 120.29 2z0r s VAL 22 Ca -0.10 -1.54 -0.03 0.00 -2.93 0.00 0.00 61.98 57.38 2z0r s VAL 22 Cb -0.13 -1.51 0.12 0.00 -1.53 0.00 0.00 36.38 33.33 2z0r s VAL 22 CO 0.00 -0.10 0.25 -1.61 -3.33 0.00 0.00 175.10 170.32 2z0r s GLU 23 N -1.95 2.12 0.13 1.54 2.02 -1.26 -0.50 118.70 120.80 2z0r s GLU 23 Ca 0.06 -1.95 -0.10 0.00 0.02 0.00 0.00 54.97 53.00 2z0r s GLU 23 Cb -0.10 -3.62 -0.00 0.00 0.10 0.00 0.00 34.13 30.51 2z0r s GLU 23 CO 0.04 -1.10 0.25 0.00 0.02 0.00 0.00 175.26 174.48 2z0r s ALA 24 N 0.92 -0.20 -1.53 5.21 0.00 -1.04 -4.90 121.76 120.21 2z0r s ALA 24 Ca 0.10 -0.67 -0.03 0.00 0.00 0.00 0.00 51.96 51.35 2z0r s ALA 24 Cb -0.22 0.67 0.01 0.00 0.00 0.00 0.00 23.12 23.57 2z0r s ALA 24 CO -0.04 -0.58 0.32 1.28 0.00 0.00 0.00 175.76 176.74 2z0r n LEU 25 N -0.14 -2.11 -1.40 0.00 4.77 -1.26 -2.01 117.00 114.85 2z0r n LEU 25 Ca -0.12 -0.15 -0.13 0.00 -0.03 0.00 0.00 56.01 55.59 2z0r n LEU 25 Cb 0.63 -2.76 -0.01 0.00 -2.33 0.00 0.00 43.42 38.95 2z0r n LEU 25 CO 0.23 0.03 -0.16 0.61 -1.33 0.00 0.00 177.39 176.77 2z0r n GLY 26 N -1.23 0.02 3.80 -0.72 0.00 -1.26 -5.00 105.19 100.80 2z0r n GLY 26 Ca -0.15 -0.36 -0.09 0.00 0.00 0.00 0.00 46.02 45.42 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 -4.46 2.17 -0.38 1.61 2.02 -0.85 -5.12 118.70 113.70 2z0r s GLU 27 Ca 0.00 -1.39 -0.14 0.00 0.02 0.00 0.00 54.97 53.46 2z0r s GLU 27 Cb 0.00 0.62 0.00 0.00 0.10 0.00 0.00 34.13 34.85 2z0r s GLU 27 CO 0.00 -1.01 0.27 1.03 0.02 0.00 0.00 175.26 175.57 2z0r s ARG 28 N -2.55 3.23 0.16 1.61 0.52 -1.26 -2.50 118.95 118.16 2z0r s ARG 28 Ca 0.15 -0.83 0.08 0.00 -0.52 0.00 0.00 55.73 54.61 2z0r s ARG 28 Cb -0.05 -3.90 -0.04 0.00 0.52 0.00 0.00 34.95 31.48 2z0r s ARG 28 CO 0.11 -0.60 -0.08 -0.51 0.02 0.00 0.00 175.30 174.24 2z0r s LEU 29 N 1.71 3.05 0.42 2.53 1.43 0.34 -3.53 118.68 124.63 2z0r s LEU 29 Ca 0.06 -0.50 0.03 0.00 -1.03 0.00 0.00 54.13 52.69 2z0r s LEU 29 Cb -0.18 -1.75 -0.03 0.00 0.03 0.00 0.00 46.19 44.26 2z0r s LEU 29 CO 0.10 0.12 0.09 -0.55 0.23 0.00 0.00 176.35 176.34 2z0r s SER 30 N -2.68 3.09 -0.02 2.29 0.15 -0.86 -0.96 113.70 114.71 2z0r s SER 30 Ca 0.24 -1.63 0.02 0.00 0.70 0.00 0.00 55.95 55.28 2z0r s SER 30 Cb -0.09 0.43 0.00 0.00 -1.71 0.00 0.00 66.02 64.65 2z0r s SER 30 CO 0.15 -0.87 -0.06 -0.83 1.20 0.00 0.00 173.24 172.83 2z0r s GLY 31 N -3.66 0.36 -0.09 9.45 0.00 -1.26 -4.22 107.32 107.89 2z0r s GLY 31 Ca 0.21 -0.22 0.02 0.00 0.00 0.00 0.00 44.72 44.74 2z0r s GLY 31 CO 0.12 -0.06 -0.15 -0.42 0.00 0.00 0.00 173.10 172.59 2z0r s ILE 32 N 0.13 1.43 0.09 0.90 1.01 -1.26 -4.55 121.20 118.94 2z0r s ILE 32 Ca -0.01 -0.63 0.06 0.00 0.00 0.00 0.00 60.65 60.07 2z0r s ILE 32 Cb -0.06 -1.29 -0.04 0.00 0.01 0.00 0.00 42.46 41.08 2z0r s ILE 32 CO -0.00 0.42 -0.06 0.26 0.00 0.00 0.00 174.94 175.56 2z0r s TRP 33 N 0.76 2.84 -2.28 3.97 0.51 -0.28 -0.64 118.94 123.82 2z0r s TRP 33 Ca -0.12 -0.10 0.27 0.00 -2.12 0.00 0.00 56.10 54.03 2z0r s TRP 33 Cb -0.16 -1.48 0.89 0.00 -0.81 0.00 0.00 33.47 31.91 2z0r s TRP 33 CO 0.02 0.44 1.65 0.25 -0.51 0.00 0.00 176.95 178.80 2z0r n THR 34 N 0.70 0.00 -3.93 2.01 -2.24 -1.26 -1.10 114.28 108.46 2z0r n THR 34 Ca -0.13 -0.22 -0.10 0.00 -2.27 0.00 0.00 64.05 61.33 2z0r n THR 34 Cb 0.52 0.54 -0.10 0.00 -2.10 0.00 0.00 70.33 69.19 2z0r n THR 34 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2z0r s SER 35 N -2.17 0.14 0.19 3.42 0.01 -1.26 -4.85 113.70 109.17 2z0r s SER 35 Ca 0.33 -0.38 -0.05 0.00 1.31 0.00 0.00 55.95 57.15 2z0r s SER 35 Cb 0.20 0.17 0.10 0.00 0.21 0.00 0.00 66.02 66.70 2z0r s SER 35 CO 0.40 -0.37 1.54 -0.09 0.41 0.00 0.00 173.24 175.12 2z0r h ARG 36 N 4.30 0.71 -0.57 12.44 2.43 -1.95 -2.60 114.38 129.14 2z0r h ARG 36 Ca -0.32 -0.38 0.00 0.00 -0.81 0.00 0.00 59.98 58.48 2z0r h ARG 36 Cb 1.20 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.73 2z0r h ARG 36 CO 0.43 0.99 0.36 1.49 -1.51 0.00 0.00 179.97 181.73 2z0r h GLU 37 N 0.58 0.76 -0.58 0.20 4.81 -1.98 0.99 114.58 119.37 2z0r h GLU 37 Ca 0.04 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 2z0r h GLU 37 Cb 0.96 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 30.15 2z0r h GLU 37 CO 0.09 0.53 0.23 -0.07 -0.73 0.00 0.00 179.01 179.06 2z0r h LEU 38 N 0.77 0.80 -0.32 1.64 3.38 -1.94 -0.15 115.31 119.50 2z0r h LEU 38 Ca 0.21 -0.17 -0.18 0.00 0.09 0.00 0.00 57.88 57.83 2z0r h LEU 38 Cb -0.06 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.48 2z0r h LEU 38 CO -0.04 0.76 -0.49 0.00 0.09 0.00 0.00 178.44 178.76 2z0r h ALA 39 N 1.08 0.49 0.00 1.53 0.00 -1.21 -2.56 119.26 118.58 2z0r h ALA 39 Ca 0.19 -0.49 -0.08 0.00 0.00 0.00 0.00 54.91 54.53 2z0r h ALA 39 Cb 0.21 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2z0r h ALA 39 CO -0.02 0.66 -0.38 0.93 0.00 0.00 0.00 179.25 180.45 2z0r h GLU 40 N 0.69 0.00 -0.55 0.00 5.08 -0.70 0.47 114.58 119.57 2z0r h GLU 40 Ca 0.03 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.30 2z0r h GLU 40 Cb 1.09 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.32 2z0r h GLU 40 CO 0.11 0.38 0.01 0.00 -1.00 0.00 0.00 179.01 178.51 2z0r h ALA 41 N 1.62 0.74 -0.17 3.43 0.00 -0.85 0.11 119.26 124.14 2z0r h ALA 41 Ca -0.00 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 2z0r h ALA 41 Cb 0.71 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2z0r h ALA 41 CO 0.05 0.56 -0.04 0.35 0.00 0.00 0.00 179.25 180.17 2z0r h PHE 42 N 0.84 0.37 -0.67 0.00 3.57 -0.99 -2.90 116.94 117.16 2z0r h PHE 42 Ca 0.16 -0.08 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 2z0r h PHE 42 Cb 0.53 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.14 2z0r h PHE 42 CO 0.04 0.59 0.38 1.25 -2.23 0.00 0.00 178.31 178.34 2z0r h LEU 43 N 0.04 0.81 -2.08 0.59 5.85 -0.76 -0.56 115.31 119.19 2z0r h LEU 43 Ca 0.04 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 2z0r h LEU 43 Cb 0.47 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.29 2z0r h LEU 43 CO 0.02 0.65 -0.08 0.00 -0.34 0.00 0.00 178.44 178.69 2z0r h ALA 44 N 1.49 1.49 0.00 1.25 0.00 -0.69 -1.11 119.26 121.70 2z0r h ALA 44 Ca 0.24 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2z0r h ALA 44 Cb 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2z0r h ALA 44 CO -0.04 0.10 -0.61 0.45 0.00 0.00 0.00 179.25 179.15 2z0r h HIS 45 N 0.00 0.00 -2.85 0.00 3.86 -0.93 -3.40 115.15 111.83 2z0r h HIS 45 Ca -0.00 0.00 -0.61 0.00 -1.16 0.00 0.00 60.37 58.60 2z0r h HIS 45 Cb 0.18 0.00 -0.42 0.00 1.06 0.00 0.00 27.41 28.24 2z0r h HIS 45 CO 0.00 0.00 -0.61 0.72 0.86 0.00 0.00 177.93 178.90 2z0r n HIS 46 N -2.72 3.03 -2.20 2.45 -0.00 -0.42 -5.10 115.22 110.27 2z0r n HIS 46 Ca 0.02 -4.21 -0.27 0.00 -0.00 0.00 0.00 57.72 53.25 2z0r n HIS 46 Cb 0.52 -0.56 0.05 0.00 -0.00 0.00 0.00 29.99 30.01 2z0r n HIS 46 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 176.34 174.20 2z0r s PRO 47 N -1.57 2.68 -1.13 -0.41 0.02 -1.24 -4.44 135.00 128.91 2z0r s PRO 47 Ca 0.28 0.06 0.00 0.00 0.02 0.00 0.00 61.00 61.36 2z0r s PRO 47 Cb 0.00 -2.17 0.00 0.00 0.02 0.00 0.00 34.50 32.36 2z0r s PRO 47 CO -0.14 -0.96 0.00 0.72 -0.33 0.00 0.00 177.00 176.29 2z0r n HIS 48 N -2.81 -0.42 -0.04 6.54 8.25 -1.26 -4.88 115.22 120.61 2z0r n HIS 48 Ca 0.06 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.55 2z0r n HIS 48 Cb 0.58 -2.62 0.06 0.00 1.12 0.00 0.00 29.99 29.14 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 -1.67 2.28 -2.90 2.41 4.77 -1.26 -5.27 117.00 115.36 2z0r n LEU 49 Ca -0.14 -1.85 -0.03 0.00 -0.03 0.00 0.00 56.01 53.97 2z0r n LEU 49 Cb 0.55 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 2z0r n LEU 49 CO 0.18 0.56 -0.44 0.61 -1.33 0.00 0.00 177.39 176.97 2z0r n GLY 50 N 0.02 -2.61 0.00 -0.72 0.00 -1.26 -4.87 105.19 95.74 2z0r n GLY 50 Ca 0.05 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.51 2z0r n GLY 50 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2z0r n ARG 52 N 0.75 0.00 -3.13 1.61 0.63 -0.69 -3.62 116.66 112.21 2z0r n ARG 52 Ca 0.01 0.00 -0.39 0.00 -0.92 0.00 0.00 57.85 56.55 2z0r n ARG 52 Cb 0.22 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 33.07 2z0r n ARG 52 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 2z0r s VAL 53 N -2.00 4.87 0.12 5.15 1.01 -1.26 -1.13 120.40 127.15 2z0r s VAL 53 Ca 0.00 1.36 0.10 0.00 0.00 0.00 0.00 61.98 63.44 2z0r s VAL 53 Cb 0.00 -3.99 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 2z0r s VAL 53 CO 0.00 0.39 -0.24 -0.44 0.00 0.00 0.00 175.10 174.81 2z0r s SER 54 N -0.08 2.94 -0.22 3.32 0.01 0.11 -4.95 113.70 114.82 2z0r s SER 54 Ca 0.33 -0.72 -0.07 0.00 1.31 0.00 0.00 55.95 56.80 2z0r s SER 54 Cb -0.19 -0.18 -0.03 0.00 0.21 0.00 0.00 66.02 65.83 2z0r s SER 54 CO 0.19 0.12 0.05 0.00 0.41 0.00 0.00 173.24 174.00 2z0r s ALA 55 N -1.14 3.17 -1.00 1.44 0.00 -1.26 -1.81 121.76 121.16 2z0r s ALA 55 Ca 0.11 -1.00 -0.05 0.00 0.00 0.00 0.00 51.96 51.01 2z0r s ALA 55 Cb -0.10 -1.96 0.25 0.00 0.00 0.00 0.00 23.12 21.32 2z0r s ALA 55 CO 0.05 -0.24 0.95 1.28 0.00 0.00 0.00 175.76 177.80 2z0r n LEU 56 N 4.42 4.85 -0.92 0.00 4.77 0.68 -4.86 117.00 125.95 2z0r n LEU 56 Ca -0.16 -5.09 0.09 0.00 -0.03 0.00 0.00 56.01 50.81 2z0r n LEU 56 Cb 0.52 -1.28 0.25 0.00 -2.33 0.00 0.00 43.42 40.58 2z0r n LEU 56 CO 0.32 1.47 0.71 -1.84 -1.33 0.00 0.00 177.39 176.72 2z0r n GLU 57 N 2.44 2.16 -4.10 3.23 0.28 -1.26 -2.36 120.64 121.03 2z0r n GLU 57 Ca 0.23 -1.79 -0.09 0.00 -0.16 0.00 0.00 57.16 55.35 2z0r n GLU 57 Cb 0.38 -1.41 -0.10 0.00 1.43 0.00 0.00 31.44 31.73 2z0r n GLU 57 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 2z0r s SER 58 N -1.15 0.68 0.27 -1.84 1.04 -1.26 -4.93 113.70 106.51 2z0r s SER 58 Ca 0.35 -0.94 -0.01 0.00 0.48 0.00 0.00 55.95 55.83 2z0r s SER 58 Cb 0.18 0.15 0.52 0.00 0.10 0.00 0.00 66.02 66.98 2z0r s SER 58 CO 0.25 -0.51 1.80 0.03 0.98 0.00 0.00 173.24 175.79 2z0r h ARG 59 N 3.29 0.80 0.16 4.02 3.08 -1.95 -1.99 114.38 121.79 2z0r h ARG 59 Ca -0.34 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 59.65 2z0r h ARG 59 Cb 1.16 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 31.02 2z0r h ARG 59 CO 0.62 0.53 -0.16 0.00 -1.07 0.00 0.00 179.97 179.89 2z0r h ALA 60 N 1.53 -0.87 -1.01 0.04 0.00 -1.98 -2.25 119.26 114.71 2z0r h ALA 60 Ca 0.47 -0.06 0.11 0.00 0.00 0.00 0.00 54.91 55.42 2z0r h ALA 60 Cb 0.53 0.41 -0.08 0.00 0.00 0.00 0.00 17.79 18.65 2z0r h ALA 60 CO -0.29 -0.88 0.64 -0.07 0.00 0.00 0.00 179.25 178.64 2z0r h LEU 61 N -0.32 0.96 0.06 0.00 3.38 -1.91 -1.27 115.31 116.21 2z0r h LEU 61 Ca -0.02 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 2z0r h LEU 61 Cb 0.27 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 2z0r h LEU 61 CO -0.02 0.54 -0.03 0.11 0.09 0.00 0.00 178.44 179.12 2z0r h LYS 62 N 1.05 -0.09 -0.41 1.13 1.57 -1.31 0.32 116.57 118.83 2z0r h LYS 62 Ca 0.48 0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 59.21 2z0r h LYS 62 Cb 0.41 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 2z0r h LYS 62 CO -0.24 -0.06 0.01 0.93 -0.57 0.00 0.00 179.45 179.52 2z0r h GLU 63 N -0.09 0.65 0.00 3.15 5.08 -1.08 -0.92 114.58 121.36 2z0r h GLU 63 Ca -0.00 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 58.18 2z0r h GLU 63 Cb 0.07 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 2z0r h GLU 63 CO 0.00 0.66 -0.14 0.00 -1.00 0.00 0.00 179.01 178.54 2z0r h ALA 64 N 1.40 1.16 0.03 3.43 0.00 -0.78 0.12 119.26 124.62 2z0r h ALA 64 Ca 0.13 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 2z0r h ALA 64 Cb 0.37 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.15 2z0r h ALA 64 CO 0.01 0.17 -0.26 -0.92 0.00 0.00 0.00 179.25 178.25 2z0r h TYR 65 N 0.00 0.20 -0.08 0.00 3.20 0.35 -2.30 116.97 118.34 2z0r h TYR 65 Ca -0.00 -0.13 -0.08 0.00 3.14 0.00 0.00 58.73 61.65 2z0r h TYR 65 Cb 0.46 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.71 2z0r h TYR 65 CO 0.00 1.05 -0.34 -0.07 -1.64 0.00 0.00 178.16 177.16 2z0r h LEU 66 N -0.71 0.15 -0.46 2.82 3.38 -1.08 0.19 115.31 119.61 2z0r h LEU 66 Ca -0.04 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 2z0r h LEU 66 Cb 1.15 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.85 2z0r h LEU 66 CO 0.05 0.49 -0.16 0.03 0.09 0.00 0.00 178.44 178.94 2z0r h ARG 67 N 0.13 0.00 0.18 1.13 3.08 -0.86 -2.21 114.38 115.83 2z0r h ARG 67 Ca 0.02 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.76 2z0r h ARG 67 Cb 0.66 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.73 2z0r h ARG 67 CO 0.05 0.16 -1.40 0.00 -1.07 0.00 0.00 179.97 177.71 2z0r h ALA 68 N 1.84 0.03 0.00 0.04 0.00 -0.69 -2.97 119.26 117.52 2z0r h ALA 68 Ca -0.00 -0.93 0.00 0.00 0.00 0.00 0.00 54.91 53.98 2z0r h ALA 68 Cb 0.96 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2z0r h ALA 68 CO 0.02 0.91 0.00 1.28 0.00 0.00 0.00 179.25 181.46 2z0r n LEU 69 N -3.59 0.57 -0.86 0.00 4.77 0.58 -2.58 117.00 115.90 2z0r n LEU 69 Ca -0.14 0.64 0.00 0.00 -0.03 0.00 0.00 56.01 56.49 2z0r n LEU 69 Cb 1.06 -0.56 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 2z0r n LEU 69 CO 0.56 -0.52 0.28 0.61 -1.33 0.00 0.00 177.39 176.99 2z0r n GLY 70 N -0.00 1.20 0.00 -0.72 0.00 -0.85 -1.29 105.19 103.53 2z0r n GLY 70 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 0.53 0.00 -1.45 0.99 4.77 -1.06 -4.56 117.00 116.21 2z0r n LEU 72 Ca 0.00 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.83 2z0r n LEU 72 Cb 0.28 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.34 2z0r n LEU 72 CO 0.00 0.00 -0.17 0.00 -1.33 0.00 0.00 177.39 175.89 2z0r n GLN 73 N 0.00 -1.11 -3.00 3.23 1.13 -1.11 -4.96 117.38 111.56 2z0r n GLN 73 Ca 0.00 0.83 -0.41 0.00 -1.94 0.00 0.00 57.00 55.48 2z0r n GLN 73 Cb 0.00 -5.07 -0.05 0.00 0.11 0.00 0.00 30.24 25.23 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 -2.66 4.88 -2.18 5.09 1.01 -0.41 -4.76 120.40 121.37 2z0r s VAL 74 Ca 0.00 1.24 0.21 0.00 0.00 0.00 0.00 61.98 63.43 2z0r s VAL 74 Cb 0.00 -4.05 0.06 0.00 0.00 0.00 0.00 36.38 32.39 2z0r s VAL 74 CO 0.00 -0.09 1.08 -0.62 0.00 0.00 0.00 175.10 175.46 2z0r n GLU 75 N 5.95 1.62 -3.54 2.72 1.02 -1.23 -4.63 120.64 122.55 2z0r n GLU 75 Ca 0.02 -1.27 -0.10 0.00 -0.02 0.00 0.00 57.16 55.79 2z0r n GLU 75 Cb 0.48 -1.41 -0.02 0.00 -0.02 0.00 0.00 31.44 30.47 2z0r n GLU 75 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2z0r s ALA 76 N -2.09 -1.57 0.00 0.62 0.00 -1.25 -1.99 121.76 115.49 2z0r s ALA 76 Ca 0.20 0.40 0.00 0.00 0.00 0.00 0.00 51.96 52.56 2z0r s ALA 76 Cb 0.17 0.79 0.00 0.00 0.00 0.00 0.00 23.12 24.08 2z0r s ALA 76 CO 0.42 -0.82 0.00 1.33 0.00 0.00 0.00 175.76 176.68 2z0r n VAL 77 N -0.38 0.00 -3.66 0.00 0.24 0.97 -2.02 118.33 113.48 2z0r n VAL 77 Ca -0.13 0.00 -0.07 0.00 -2.04 0.00 0.00 64.34 62.10 2z0r n VAL 77 Cb 0.63 0.00 -0.08 0.00 -1.47 0.00 0.00 33.84 32.92 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 2.43 -0.58 -1.28 3.34 1.01 0.21 -0.05 120.40 125.49 2z0r s VAL 79 Ca 0.00 0.11 -0.03 0.00 0.00 0.00 0.00 61.98 62.07 2z0r s VAL 79 Cb 0.00 -0.74 -0.01 0.00 0.00 0.00 0.00 36.38 35.63 2z0r s VAL 79 CO 0.00 0.05 0.70 0.47 0.00 0.00 0.00 175.10 176.32 2z0r n ASP 80 N 5.15 -1.90 -4.76 3.32 8.00 0.19 -4.50 116.55 122.05 2z0r n ASP 80 Ca -0.12 -0.85 -0.39 0.00 0.71 0.00 0.00 54.79 54.14 2z0r n ASP 80 Cb 0.51 -3.98 0.01 0.00 -0.02 0.00 0.00 41.12 37.64 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 -3.65 2.57 0.00 1.24 5.04 -1.26 -4.99 117.35 116.30 2z0r s TYR 81 Ca 0.08 1.35 0.00 0.00 -2.44 0.00 0.00 57.07 56.06 2z0r s TYR 81 Cb -0.02 -3.78 0.00 0.00 0.35 0.00 0.00 41.96 38.50 2z0r s TYR 81 CO 0.82 -2.57 0.00 2.89 -1.34 0.00 0.00 175.55 175.35 2z0r n ARG 82 N -0.27 0.00 -1.96 4.97 1.85 -1.26 -4.92 116.66 115.07 2z0r n ARG 82 Ca 0.06 0.00 -0.41 0.00 -1.00 0.00 0.00 57.85 56.49 2z0r n ARG 82 Cb 0.43 0.00 -0.02 0.00 -1.05 0.00 0.00 32.46 31.82 2z0r n ARG 82 CO 0.00 0.00 0.00 -2.14 -0.01 0.00 0.00 177.63 175.48 2z0r s PRO 83 N -2.00 4.24 -0.27 2.89 0.02 -1.26 -4.96 135.00 133.66 2z0r s PRO 83 Ca 0.00 2.36 -0.38 0.00 0.02 0.00 0.00 61.00 63.00 2z0r s PRO 83 Cb 0.00 -3.09 0.16 0.00 0.02 0.00 0.00 34.50 31.59 2z0r s PRO 83 CO 0.00 -0.46 1.40 0.20 -0.33 0.00 0.00 177.00 177.81 2z0r s GLY 84 N 0.36 -0.23 0.00 0.52 0.00 -1.26 -4.96 107.32 101.74 2z0r s GLY 84 Ca 0.60 1.81 0.00 0.00 0.00 0.00 0.00 44.72 47.13 2z0r s GLY 84 CO 0.45 0.58 0.92 -0.37 0.00 0.00 0.00 173.10 174.69 2z0r n THR 85 N -0.07 0.00 -3.36 0.90 5.66 -1.26 -4.73 114.28 111.42 2z0r n THR 85 Ca 0.04 0.00 -0.39 0.00 -3.05 0.00 0.00 64.05 60.65 2z0r n THR 85 Cb 0.57 -0.07 -0.08 0.00 -1.55 0.00 0.00 70.33 69.21 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 -1.88 3.32 0.60 1.09 3.76 -1.26 -5.05 115.29 115.87 2z0r s HIS 86 Ca 0.00 0.57 -0.18 0.00 -0.15 0.00 0.00 55.06 55.30 2z0r s HIS 86 Cb 0.00 -2.58 -0.07 0.00 1.11 0.00 0.00 32.58 31.04 2z0r s HIS 86 CO 0.00 -0.12 0.60 2.89 -0.85 0.00 0.00 174.74 177.26 2z0r n ARG 87 N 4.90 0.54 -1.93 1.40 1.85 -1.26 -4.86 116.66 117.29 2z0r n ARG 87 Ca -0.07 0.22 -0.41 0.00 -1.00 0.00 0.00 57.85 56.58 2z0r n ARG 87 Cb 0.51 -1.80 -0.01 0.00 -1.05 0.00 0.00 32.46 30.11 2z0r n ARG 87 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2z0r s ALA 88 N -1.71 3.54 -0.33 2.89 0.00 -1.26 -4.99 121.76 119.91 2z0r s ALA 88 Ca 0.70 1.44 -0.07 0.00 0.00 0.00 0.00 51.96 54.03 2z0r s ALA 88 Cb -0.43 -3.56 0.03 0.00 0.00 0.00 0.00 23.12 19.17 2z0r s ALA 88 CO 0.53 -0.88 0.12 -0.65 0.00 0.00 0.00 175.76 174.88 2z0r s GLN 89 N -1.93 2.79 -0.02 0.00 -0.21 -1.26 -5.05 119.66 113.98 2z0r s GLN 89 Ca 0.51 -1.07 0.08 0.00 0.02 0.00 0.00 55.36 54.90 2z0r s GLN 89 Cb -0.44 -3.49 -0.02 0.00 1.00 0.00 0.00 33.01 30.06 2z0r s GLN 89 CO 0.59 -0.61 -0.25 0.08 -2.12 0.00 0.00 175.29 172.98 2z0r s VAL 90 N 1.46 2.15 -0.04 1.09 1.01 -1.26 0.68 120.40 125.50 2z0r s VAL 90 Ca 0.00 -1.10 0.04 0.00 0.00 0.00 0.00 61.98 60.93 2z0r s VAL 90 Cb -0.19 -1.76 -0.00 0.00 0.00 0.00 0.00 36.38 34.43 2z0r s VAL 90 CO 0.04 0.56 -0.16 0.00 0.00 0.00 0.00 175.10 175.54 2z0r s ALA 91 N -0.64 1.42 0.07 5.51 0.00 0.92 -4.94 121.76 124.11 2z0r s ALA 91 Ca 0.10 -0.66 -0.30 0.00 0.00 0.00 0.00 51.96 51.11 2z0r s ALA 91 Cb -0.10 -0.45 -0.05 0.00 0.00 0.00 0.00 23.12 22.51 2z0r s ALA 91 CO -0.01 0.27 1.05 1.03 0.00 0.00 0.00 175.76 178.11 2z0r s ARG 92 N -0.03 4.56 0.56 0.00 1.81 -1.26 -0.02 118.95 124.58 2z0r s ARG 92 Ca -0.02 1.57 0.29 0.00 -1.72 0.00 0.00 55.73 55.86 2z0r s ARG 92 Cb -0.10 -3.38 1.47 0.00 -0.45 0.00 0.00 34.95 32.49 2z0r s ARG 92 CO 0.01 -0.02 1.91 0.28 -0.68 0.00 0.00 175.30 176.80 2z0r h VAL 93 N 4.35 0.49 0.01 3.52 2.07 -1.71 0.22 116.25 125.19 2z0r h VAL 93 Ca -0.42 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.10 2z0r h VAL 93 Cb 1.21 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.60 2z0r h VAL 93 CO 0.75 0.00 -0.00 0.50 0.02 0.00 0.00 177.57 178.84 2z0r h LYS 94 N 0.00 -0.01 0.00 1.57 3.64 -1.91 0.14 116.57 120.00 2z0r h LYS 94 Ca 0.29 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.66 2z0r h LYS 94 Cb 1.32 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.14 2z0r h LYS 94 CO -0.00 0.25 -0.04 -0.44 -2.27 0.00 0.00 179.45 176.95 2z0r h ASP 95 N -0.27 0.00 0.00 4.20 5.19 -1.35 -2.88 116.42 121.30 2z0r h ASP 95 Ca -0.00 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.32 2z0r h ASP 95 Cb 0.26 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.76 2z0r h ASP 95 CO 0.00 0.04 -0.51 -0.07 -3.12 0.00 0.00 179.24 175.58 2z0r h LEU 96 N 0.00 0.00 -1.07 1.55 3.38 -1.10 -2.76 115.31 115.32 2z0r h LEU 96 Ca -0.00 -0.79 0.32 0.00 0.09 0.00 0.00 57.88 57.50 2z0r h LEU 96 Cb 0.12 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 40.73 2z0r h LEU 96 CO 0.01 1.19 0.61 0.25 0.09 0.00 0.00 178.44 180.59 2z0r h LEU 97 N -1.00 0.51 0.03 1.67 5.85 -0.52 0.84 115.31 122.69 2z0r h LEU 97 Ca -0.14 0.17 -0.29 0.00 0.84 0.00 0.00 57.88 58.46 2z0r h LEU 97 Cb 1.11 0.11 -0.04 0.00 0.37 0.00 0.00 40.66 42.22 2z0r h LEU 97 CO -0.09 -0.09 -1.61 -0.33 -0.34 0.00 0.00 178.44 175.99 2z0r h GLU 98 N 0.34 0.07 0.00 1.25 5.08 -1.67 -3.28 114.58 116.36 2z0r h GLU 98 Ca 0.72 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.97 2z0r h GLU 98 Cb 1.68 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.97 2z0r h GLU 98 CO -0.55 0.74 0.00 -1.91 -1.00 0.00 0.00 179.01 176.30 2z0r n GLU 99 N -3.20 0.04 0.00 2.33 2.13 0.18 -0.94 120.64 121.18 2z0r n GLU 99 Ca -0.16 0.31 0.08 0.00 0.66 0.00 0.00 57.16 58.05 2z0r n GLU 99 Cb 1.03 -1.50 -0.06 0.00 0.27 0.00 0.00 31.44 31.19 2z0r n GLU 99 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2z0r n VAL 100 N -1.43 0.00 1.14 6.31 0.31 -0.53 -5.05 118.33 119.08 2z0r n VAL 100 Ca 0.03 -0.20 0.13 0.00 -0.01 0.00 0.00 64.34 64.28 2z0r n VAL 100 Cb 0.09 1.07 0.22 0.00 -0.91 0.00 0.00 33.84 34.31 2z0r n VAL 100 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05