#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2z0r s SER 6 N 0.00 6.01 0.00 1.96 0.01 -1.26 -4.89 113.70 115.52 2z0r s SER 6 Ca 0.00 -0.46 0.00 0.00 1.31 0.00 0.00 55.95 56.80 2z0r s SER 6 Cb 0.00 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.67 2z0r s SER 6 CO 0.00 -1.93 0.00 0.61 0.41 0.00 0.00 173.24 172.33 2z0r n GLY 7 N 5.71 1.29 3.75 3.44 0.00 -1.26 -5.03 105.19 113.08 2z0r n GLY 7 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 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 2.95 3.31 -0.16 2.61 2.01 -1.26 -4.95 115.64 120.14 2z0r s THR 8 Ca 0.00 1.21 -0.10 0.00 0.31 0.00 0.00 61.69 63.11 2z0r s THR 8 Cb 0.00 -3.77 -0.05 0.00 0.01 0.00 0.00 72.50 68.69 2z0r s THR 8 CO 0.00 0.24 0.17 0.26 -0.69 0.00 0.00 174.62 174.61 2z0r s TRP 9 N -0.63 3.49 -0.19 4.92 0.52 -0.34 -4.62 118.94 122.10 2z0r s TRP 9 Ca 0.50 0.47 -0.02 0.00 0.02 0.00 0.00 56.10 57.06 2z0r s TRP 9 Cb -0.34 -2.13 -0.01 0.00 -1.15 0.00 0.00 33.47 29.84 2z0r s TRP 9 CO 0.42 0.43 -0.08 0.71 0.02 0.00 0.00 176.95 178.45 2z0r s TYR 10 N -0.11 2.90 0.25 -1.98 2.02 0.12 0.42 117.35 120.97 2z0r s TYR 10 Ca 0.12 -0.87 0.01 0.00 -0.37 0.00 0.00 57.07 55.97 2z0r s TYR 10 Cb -0.12 -2.00 -0.04 0.00 -0.40 0.00 0.00 41.96 39.40 2z0r s TYR 10 CO 0.02 -0.44 0.14 0.14 -1.57 0.00 0.00 175.55 173.84 2z0r s VAL 11 N 1.05 0.23 0.16 0.71 -7.23 -0.37 0.56 120.40 115.50 2z0r s VAL 11 Ca 0.00 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.22 2z0r s VAL 11 Cb -0.15 -2.54 -0.04 0.00 0.56 0.00 0.00 36.38 34.21 2z0r s VAL 11 CO -0.01 0.00 0.13 -0.76 -0.31 0.00 0.00 175.10 174.15 2z0r s LEU 12 N -3.27 3.81 -0.21 1.32 1.02 -1.26 0.12 118.68 120.21 2z0r s LEU 12 Ca 0.38 -0.12 -0.27 0.00 0.02 0.00 0.00 54.13 54.14 2z0r s LEU 12 Cb 0.06 -2.42 0.10 0.00 0.02 0.00 0.00 46.19 43.95 2z0r s LEU 12 CO 0.15 0.08 0.88 -1.83 0.02 0.00 0.00 176.35 175.64 2z0r s GLU 13 N -3.06 0.72 0.00 1.70 -1.05 -0.93 -4.28 118.70 111.80 2z0r s GLU 13 Ca 0.31 0.53 0.00 0.00 -0.15 0.00 0.00 54.97 55.66 2z0r s GLU 13 Cb -0.10 0.34 0.00 0.00 -0.44 0.00 0.00 34.13 33.93 2z0r s GLU 13 CO 0.23 -0.15 0.00 0.41 0.95 0.00 0.00 175.26 176.70 2z0r n GLY 14 N 1.75 0.65 3.70 -3.83 0.00 -1.21 -2.89 105.19 103.37 2z0r n GLY 14 Ca -0.14 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 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 6.56 0.20 1.61 1.11 -1.25 -4.85 116.67 121.05 2z0r s ASP 15 Ca 0.00 2.57 -0.29 0.00 0.18 0.00 0.00 52.55 55.01 2z0r s ASP 15 Cb 0.00 -2.57 -0.17 0.00 1.07 0.00 0.00 42.92 41.25 2z0r s ASP 15 CO 0.00 -0.89 0.66 -2.65 1.18 0.00 0.00 175.17 173.46 2z0r n PRO 16 N 5.18 0.24 0.00 8.23 -0.02 -1.26 -2.20 135.00 145.17 2z0r n PRO 16 Ca 0.16 0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 2z0r n PRO 16 Cb 0.39 -1.19 0.00 0.00 -0.02 0.00 0.00 33.50 32.68 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 1.85 2.24 3.83 -1.23 0.00 -1.26 -4.99 105.19 105.63 2z0r n GLY 17 Ca 0.17 -0.53 -0.36 0.00 0.00 0.00 0.00 46.02 45.30 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 0.00 3.31 0.00 1.61 2.56 -0.94 -4.91 118.70 120.34 2z0r s GLU 18 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.97 54.73 2z0r s GLU 18 Cb 0.00 -3.07 0.00 0.00 2.00 0.00 0.00 34.13 33.06 2z0r s GLU 18 CO 0.00 0.74 0.00 0.72 -0.56 0.00 0.00 175.26 176.16 2z0r n HIS 19 N 1.80 -0.14 -2.80 5.30 8.25 -1.26 -3.28 115.22 123.09 2z0r n HIS 19 Ca -0.18 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.86 2z0r n HIS 19 Cb 0.54 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.62 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 4.23 -0.12 2.41 2.96 -1.26 -4.90 118.68 122.00 2z0r s LEU 20 Ca 0.00 1.36 0.02 0.00 -0.22 0.00 0.00 54.13 55.29 2z0r s LEU 20 Cb 0.00 -3.38 0.01 0.00 0.50 0.00 0.00 46.19 43.32 2z0r s LEU 20 CO 0.00 -0.39 -0.19 -0.69 -1.32 0.00 0.00 176.35 173.76 2z0r s VAL 21 N 1.92 1.79 -0.22 1.68 1.01 -1.26 -4.26 120.40 121.06 2z0r s VAL 21 Ca 0.43 -0.83 -0.04 0.00 0.00 0.00 0.00 61.98 61.54 2z0r s VAL 21 Cb -0.18 -1.60 -0.01 0.00 0.00 0.00 0.00 36.38 34.60 2z0r s VAL 21 CO 0.16 0.50 -0.03 0.54 0.00 0.00 0.00 175.10 176.27 2z0r s VAL 22 N 0.80 3.46 -0.53 2.92 0.11 0.16 -4.92 120.40 122.40 2z0r s VAL 22 Ca -0.09 -0.46 -0.07 0.00 -2.93 0.00 0.00 61.98 58.42 2z0r s VAL 22 Cb -0.16 -2.58 0.14 0.00 -1.53 0.00 0.00 36.38 32.25 2z0r s VAL 22 CO 0.00 0.42 0.39 -0.70 -3.33 0.00 0.00 175.10 171.87 2z0r s GLU 23 N 1.48 2.53 -0.13 1.54 2.12 -1.26 -0.93 118.70 124.05 2z0r s GLU 23 Ca 0.06 -2.00 0.02 0.00 0.36 0.00 0.00 54.97 53.41 2z0r s GLU 23 Cb -0.14 -3.89 0.00 0.00 0.26 0.00 0.00 34.13 30.36 2z0r s GLU 23 CO -0.03 -1.18 -0.20 0.00 -0.54 0.00 0.00 175.26 173.31 2z0r s ALA 24 N 0.92 2.32 -1.45 6.30 0.00 -0.93 -4.63 121.76 124.28 2z0r s ALA 24 Ca 0.10 -1.04 -0.05 0.00 0.00 0.00 0.00 51.96 50.96 2z0r s ALA 24 Cb -0.23 -1.02 0.01 0.00 0.00 0.00 0.00 23.12 21.87 2z0r s ALA 24 CO -0.03 0.06 0.71 1.28 0.00 0.00 0.00 175.76 177.79 2z0r n LEU 25 N 3.90 -2.82 0.00 0.00 4.77 -1.26 -2.32 117.00 119.27 2z0r n LEU 25 Ca -0.19 -0.33 0.00 0.00 -0.03 0.00 0.00 56.01 55.45 2z0r n LEU 25 Cb 0.52 -2.90 0.00 0.00 -2.33 0.00 0.00 43.42 38.71 2z0r n LEU 25 CO 0.28 0.32 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 2z0r n GLY 26 N -1.61 2.31 3.67 -0.72 0.00 -1.26 -4.99 105.19 102.60 2z0r n GLY 26 Ca -0.08 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 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 0.00 4.22 -0.32 1.61 2.12 -0.98 -5.00 118.70 120.35 2z0r s GLU 27 Ca 0.00 2.04 -0.15 0.00 0.36 0.00 0.00 54.97 57.22 2z0r s GLU 27 Cb 0.00 -3.78 -0.02 0.00 0.26 0.00 0.00 34.13 30.60 2z0r s GLU 27 CO 0.00 -0.72 0.37 1.03 -0.54 0.00 0.00 175.26 175.40 2z0r s ARG 28 N 3.28 3.68 0.07 4.30 0.52 -1.26 -2.19 118.95 127.35 2z0r s ARG 28 Ca 0.67 -0.28 0.06 0.00 -0.52 0.00 0.00 55.73 55.66 2z0r s ARG 28 Cb -0.31 -3.77 -0.03 0.00 0.52 0.00 0.00 34.95 31.36 2z0r s ARG 28 CO 0.26 -0.47 -0.16 -0.51 0.02 0.00 0.00 175.30 174.45 2z0r s LEU 29 N 2.06 2.25 0.00 2.53 1.02 -0.11 -3.37 118.68 123.07 2z0r s LEU 29 Ca 0.13 -0.58 0.00 0.00 0.02 0.00 0.00 54.13 53.70 2z0r s LEU 29 Cb -0.16 -0.62 0.00 0.00 0.02 0.00 0.00 46.19 45.42 2z0r s LEU 29 CO 0.11 -0.01 0.00 -0.24 0.02 0.00 0.00 176.35 176.23 2z0r n SER 30 N 1.44 1.75 -3.97 2.29 2.88 -1.10 0.37 113.62 117.28 2z0r n SER 30 Ca -0.20 -0.84 -0.13 0.00 -1.33 0.00 0.00 58.87 56.37 2z0r n SER 30 Cb 0.54 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.87 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 -0.96 0.25 -0.07 0.46 0.00 -1.26 -4.49 107.32 101.25 2z0r s GLY 31 Ca 0.00 -0.37 0.01 0.00 0.00 0.00 0.00 44.72 44.37 2z0r s GLY 31 CO 0.00 -0.38 -0.09 -0.42 0.00 0.00 0.00 173.10 172.22 2z0r s ILE 32 N -0.63 0.91 -0.03 0.90 1.01 -1.26 -4.56 121.20 117.53 2z0r s ILE 32 Ca -0.05 -0.32 0.04 0.00 0.00 0.00 0.00 60.65 60.32 2z0r s ILE 32 Cb -0.05 -0.88 -0.03 0.00 0.01 0.00 0.00 42.46 41.51 2z0r s ILE 32 CO -0.00 0.32 -0.13 0.26 0.00 0.00 0.00 174.94 175.39 2z0r s TRP 33 N 0.96 2.74 -2.09 3.97 0.51 0.19 -0.44 118.94 124.79 2z0r s TRP 33 Ca -0.10 -0.13 0.28 0.00 -2.12 0.00 0.00 56.10 54.04 2z0r s TRP 33 Cb -0.15 -1.62 1.12 0.00 -0.81 0.00 0.00 33.47 32.01 2z0r s TRP 33 CO 0.00 0.24 1.78 -2.37 -0.51 0.00 0.00 176.95 176.10 2z0r n THR 34 N 2.11 0.00 -3.76 2.01 5.66 -1.26 0.11 114.28 119.15 2z0r n THR 34 Ca -0.17 -0.15 -0.13 0.00 -3.05 0.00 0.00 64.05 60.55 2z0r n THR 34 Cb 0.52 0.24 -0.09 0.00 -1.55 0.00 0.00 70.33 69.45 2z0r n THR 34 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 2z0r s SER 35 N -2.22 -0.20 0.40 1.09 1.04 -1.26 -4.74 113.70 107.81 2z0r s SER 35 Ca 0.34 0.12 0.13 0.00 0.48 0.00 0.00 55.95 57.02 2z0r s SER 35 Cb 0.20 0.33 0.83 0.00 0.10 0.00 0.00 66.02 67.49 2z0r s SER 35 CO 0.41 -0.44 1.89 -0.09 0.98 0.00 0.00 173.24 176.00 2z0r h ARG 36 N 3.93 0.00 0.36 4.02 2.43 -1.95 -2.97 114.38 120.20 2z0r h ARG 36 Ca -0.29 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 58.86 2z0r h ARG 36 Cb 1.18 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 2z0r h ARG 36 CO 0.40 0.30 -0.17 0.93 -1.51 0.00 0.00 179.97 179.91 2z0r h GLU 37 N 0.00 -0.46 -0.48 0.20 3.07 -1.98 0.16 114.58 115.09 2z0r h GLU 37 Ca -0.00 0.03 -0.07 0.00 -0.50 0.00 0.00 59.36 58.82 2z0r h GLU 37 Cb 0.52 0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 28.52 2z0r h GLU 37 CO 0.04 -0.29 0.01 1.25 -1.40 0.00 0.00 179.01 178.62 2z0r h LEU 38 N -0.51 0.74 -1.13 1.33 6.46 -1.97 0.13 115.31 120.36 2z0r h LEU 38 Ca -0.05 -0.17 -0.09 0.00 -0.12 0.00 0.00 57.88 57.45 2z0r h LEU 38 Cb 0.39 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 40.11 2z0r h LEU 38 CO 0.08 0.81 -0.37 0.00 -0.62 0.00 0.00 178.44 178.34 2z0r h ALA 39 N 1.28 1.28 0.03 1.25 0.00 -1.37 -1.26 119.26 120.47 2z0r h ALA 39 Ca 0.15 -0.36 -0.25 0.00 0.00 0.00 0.00 54.91 54.45 2z0r h ALA 39 Cb 0.43 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 2z0r h ALA 39 CO 0.02 0.51 -1.24 0.93 0.00 0.00 0.00 179.25 179.47 2z0r h GLU 40 N 0.10 0.06 -0.51 0.00 5.08 -0.45 -2.82 114.58 116.05 2z0r h GLU 40 Ca 0.01 -0.11 -0.08 0.00 -1.00 0.00 0.00 59.36 58.19 2z0r h GLU 40 Cb 0.70 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 2z0r h GLU 40 CO 0.05 0.94 0.01 0.00 -1.00 0.00 0.00 179.01 179.01 2z0r h ALA 41 N 0.89 0.68 -0.26 3.43 0.00 -0.50 -1.27 119.26 122.22 2z0r h ALA 41 Ca -0.11 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2z0r h ALA 41 Cb 1.87 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.46 2z0r h ALA 41 CO 0.13 0.48 0.16 0.35 0.00 0.00 0.00 179.25 180.37 2z0r h PHE 42 N 0.75 0.33 -0.80 0.00 3.57 -1.28 -2.83 116.94 116.68 2z0r h PHE 42 Ca 0.15 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.62 2z0r h PHE 42 Cb 0.50 -0.11 -0.04 0.00 2.79 0.00 0.00 35.95 39.09 2z0r h PHE 42 CO 0.04 0.23 0.40 1.25 -2.23 0.00 0.00 178.31 178.00 2z0r h LEU 43 N 0.33 1.03 -2.18 0.59 5.85 -1.37 -2.34 115.31 117.23 2z0r h LEU 43 Ca 0.09 -0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.71 2z0r h LEU 43 Cb -0.01 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 40.75 2z0r h LEU 43 CO -0.02 0.86 0.03 0.00 -0.34 0.00 0.00 178.44 178.98 2z0r h ALA 44 N 1.30 1.85 -0.38 1.25 0.00 -0.99 0.28 119.26 122.57 2z0r h ALA 44 Ca 0.28 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2z0r h ALA 44 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2z0r h ALA 44 CO -0.04 -0.06 0.00 0.72 0.00 0.00 0.00 179.25 179.88 2z0r n HIS 45 N -4.24 0.49 -3.16 0.00 8.25 -0.91 -4.58 115.22 111.06 2z0r n HIS 45 Ca -0.02 -0.25 -0.19 0.00 -0.26 0.00 0.00 57.72 57.00 2z0r n HIS 45 Cb 0.13 -0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.21 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 1.49 0.62 -1.42 4.41 8.25 0.08 -5.10 115.22 123.56 2z0r n HIS 46 Ca 0.19 -3.84 -0.30 0.00 -0.26 0.00 0.00 57.72 53.52 2z0r n HIS 46 Cb 0.61 -0.43 0.20 0.00 1.12 0.00 0.00 29.99 31.49 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 -2.53 -0.16 0.00 -0.41 0.02 -1.20 -4.37 135.00 126.35 2z0r s PRO 47 Ca 0.41 -0.07 0.00 0.00 0.02 0.00 0.00 61.00 61.36 2z0r s PRO 47 Cb 0.34 -1.72 0.00 0.00 0.02 0.00 0.00 34.50 33.14 2z0r s PRO 47 CO -0.09 -3.01 0.00 0.72 -0.33 0.00 0.00 177.00 174.30 2z0r n HIS 48 N -4.26 0.00 -0.35 6.54 8.25 -1.26 -4.85 115.22 119.29 2z0r n HIS 48 Ca 0.12 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.67 2z0r n HIS 48 Cb 0.59 -1.15 0.25 0.00 1.12 0.00 0.00 29.99 30.80 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 0.00 3.60 -2.97 2.41 4.77 -1.26 -5.26 117.00 118.29 2z0r n LEU 49 Ca 0.00 -2.11 -0.02 0.00 -0.03 0.00 0.00 56.01 53.85 2z0r n LEU 49 Cb 0.28 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 2z0r n LEU 49 CO 0.00 0.84 0.28 0.61 -1.33 0.00 0.00 177.39 177.79 2z0r n GLY 50 N 0.96 -1.23 0.00 -0.72 0.00 -1.26 -4.94 105.19 97.99 2z0r n GLY 50 Ca 0.19 0.60 0.00 0.00 0.00 0.00 0.00 46.02 46.81 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 -1.46 0.00 -2.19 1.61 -4.01 -1.14 -4.17 116.66 105.29 2z0r n ARG 52 Ca 0.02 0.00 -0.40 0.00 -1.04 0.00 0.00 57.85 56.43 2z0r n ARG 52 Cb 0.49 0.00 -0.02 0.00 -3.04 0.00 0.00 32.46 29.89 2z0r n ARG 52 CO 0.00 0.00 0.00 0.08 -3.04 0.00 0.00 177.63 174.67 2z0r s VAL 53 N -1.72 2.90 -0.01 8.89 1.01 -1.26 -2.20 120.40 128.00 2z0r s VAL 53 Ca 0.00 0.87 0.03 0.00 0.00 0.00 0.00 61.98 62.87 2z0r s VAL 53 Cb 0.00 -3.54 -0.00 0.00 0.00 0.00 0.00 36.38 32.84 2z0r s VAL 53 CO 0.00 0.18 -0.08 -0.55 0.00 0.00 0.00 175.10 174.65 2z0r s SER 54 N -0.68 0.99 -0.09 3.32 0.15 0.32 -4.94 113.70 112.77 2z0r s SER 54 Ca 0.50 -0.15 -0.15 0.00 0.70 0.00 0.00 55.95 56.85 2z0r s SER 54 Cb -0.37 -0.13 -0.05 0.00 -1.71 0.00 0.00 66.02 63.76 2z0r s SER 54 CO 0.48 0.10 0.38 0.00 1.20 0.00 0.00 173.24 175.40 2z0r s ALA 55 N -0.14 3.61 -0.39 5.45 0.00 -1.26 -1.24 121.76 127.79 2z0r s ALA 55 Ca 0.02 -0.31 0.03 0.00 0.00 0.00 0.00 51.96 51.70 2z0r s ALA 55 Cb -0.04 -2.44 0.11 0.00 0.00 0.00 0.00 23.12 20.75 2z0r s ALA 55 CO -0.00 0.23 0.13 -0.51 0.00 0.00 0.00 175.76 175.61 2z0r s LEU 56 N -0.10 3.82 -0.18 0.00 1.43 0.17 -4.97 118.68 118.84 2z0r s LEU 56 Ca 0.22 -2.30 -0.06 0.00 -1.03 0.00 0.00 54.13 50.95 2z0r s LEU 56 Cb -0.15 -1.38 -0.22 0.00 0.03 0.00 0.00 46.19 44.47 2z0r s LEU 56 CO 0.09 -0.34 0.13 1.21 0.23 0.00 0.00 176.35 177.68 2z0r n GLU 57 N 4.02 0.70 -2.11 1.70 2.13 -1.26 -1.20 120.64 124.62 2z0r n GLU 57 Ca 0.04 0.27 -0.30 0.00 0.66 0.00 0.00 57.16 57.82 2z0r n GLU 57 Cb 0.39 -1.65 0.00 0.00 0.27 0.00 0.00 31.44 30.45 2z0r n GLU 57 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 2z0r s SER 58 N -6.91 6.28 0.36 4.31 1.04 -1.26 -4.90 113.70 112.61 2z0r s SER 58 Ca -0.28 1.32 0.04 0.00 0.48 0.00 0.00 55.95 57.51 2z0r s SER 58 Cb 0.08 -2.42 0.67 0.00 0.10 0.00 0.00 66.02 64.45 2z0r s SER 58 CO 0.68 -0.77 1.94 0.03 0.98 0.00 0.00 173.24 176.11 2z0r h ARG 59 N -0.06 0.59 0.41 4.02 2.47 -1.94 -2.24 114.38 117.64 2z0r h ARG 59 Ca -0.45 -0.08 -0.02 0.00 -1.26 0.00 0.00 59.98 58.17 2z0r h ARG 59 Cb 1.19 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 29.41 2z0r h ARG 59 CO 0.62 0.51 -0.20 0.00 0.56 0.00 0.00 179.97 181.46 2z0r h ALA 60 N 1.58 -0.55 -0.98 0.04 0.00 -1.93 0.38 119.26 117.79 2z0r h ALA 60 Ca 0.14 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.93 2z0r h ALA 60 Cb 0.15 0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.10 2z0r h ALA 60 CO -0.01 -0.75 0.64 -0.07 0.00 0.00 0.00 179.25 179.06 2z0r h LEU 61 N -0.66 1.08 -0.15 0.00 3.38 -1.91 0.90 115.31 117.95 2z0r h LEU 61 Ca -0.06 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 2z0r h LEU 61 Cb 0.48 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 2z0r h LEU 61 CO 0.09 0.75 0.00 0.11 0.09 0.00 0.00 178.44 179.48 2z0r h LYS 62 N 1.26 0.26 -0.74 1.13 1.57 -1.32 -2.03 116.57 116.69 2z0r h LYS 62 Ca 0.38 -0.08 -0.04 0.00 -1.87 0.00 0.00 60.65 59.04 2z0r h LYS 62 Cb -0.03 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.22 2z0r h LYS 62 CO -0.11 0.48 0.31 0.93 -0.57 0.00 0.00 179.45 180.49 2z0r h GLU 63 N -0.00 1.09 -0.17 3.15 5.08 -0.55 -1.15 114.58 122.03 2z0r h GLU 63 Ca 0.04 -0.18 -0.05 0.00 -1.00 0.00 0.00 59.36 58.17 2z0r h GLU 63 Cb 0.37 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 2z0r h GLU 63 CO 0.01 0.88 -0.14 0.00 -1.00 0.00 0.00 179.01 178.75 2z0r h ALA 64 N 1.26 1.46 0.08 3.43 0.00 -0.74 0.12 119.26 124.88 2z0r h ALA 64 Ca 0.25 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2z0r h ALA 64 Cb 0.18 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2z0r h ALA 64 CO -0.02 0.38 -0.04 -0.92 0.00 0.00 0.00 179.25 178.65 2z0r h TYR 65 N 0.26 -0.10 -0.40 0.00 3.20 -0.85 -2.00 116.97 117.07 2z0r h TYR 65 Ca 0.05 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.92 2z0r h TYR 65 Cb 0.41 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.69 2z0r h TYR 65 CO 0.01 0.42 0.24 -0.07 -1.64 0.00 0.00 178.16 177.11 2z0r h LEU 66 N -0.71 0.47 -0.32 2.82 3.38 -0.97 -0.10 115.31 119.88 2z0r h LEU 66 Ca -0.01 -0.02 -0.16 0.00 0.09 0.00 0.00 57.88 57.78 2z0r h LEU 66 Cb 0.56 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 2z0r h LEU 66 CO 0.02 0.37 -0.74 0.03 0.09 0.00 0.00 178.44 178.20 2z0r h ARG 67 N 0.55 0.00 -0.12 1.13 3.08 -0.82 -1.28 114.38 116.92 2z0r h ARG 67 Ca 0.14 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.19 2z0r h ARG 67 Cb -0.01 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 2z0r h ARG 67 CO -0.03 0.74 0.05 0.00 -1.07 0.00 0.00 179.97 179.66 2z0r h ALA 68 N 1.26 0.15 -0.56 0.04 0.00 -0.28 -2.72 119.26 117.15 2z0r h ALA 68 Ca -0.01 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 2z0r h ALA 68 Cb 1.42 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.14 2z0r h ALA 68 CO 0.10 -0.26 0.14 -0.07 0.00 0.00 0.00 179.25 179.15 2z0r h LEU 69 N 0.03 0.80 -1.14 0.00 3.38 -1.17 -3.13 115.31 114.08 2z0r h LEU 69 Ca 0.04 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2z0r h LEU 69 Cb 0.17 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2z0r h LEU 69 CO -0.00 0.78 0.00 0.61 0.09 0.00 0.00 178.44 179.92 2z0r n GLY 70 N -0.85 0.00 0.01 0.83 0.00 -0.49 -1.30 105.19 103.39 2z0r n GLY 70 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 0.45 0.00 -0.54 0.99 4.77 -1.18 -4.25 117.00 117.23 2z0r n LEU 72 Ca 0.00 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.91 2z0r n LEU 72 Cb 0.00 -0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 2z0r n LEU 72 CO 0.00 0.00 -0.07 0.00 -1.33 0.00 0.00 177.39 175.99 2z0r n GLN 73 N -0.00 -0.87 -2.53 3.23 1.13 -1.13 -4.95 117.38 112.25 2z0r n GLN 73 Ca 0.00 0.66 -0.43 0.00 -1.94 0.00 0.00 57.00 55.29 2z0r n GLN 73 Cb 0.00 -4.57 -0.02 0.00 0.11 0.00 0.00 30.24 25.76 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 -2.07 4.09 0.05 5.09 1.01 -0.42 -4.78 120.40 123.38 2z0r s VAL 74 Ca 0.00 1.08 -0.14 0.00 0.00 0.00 0.00 61.98 62.92 2z0r s VAL 74 Cb 0.00 -4.54 -0.30 0.00 0.00 0.00 0.00 36.38 31.54 2z0r s VAL 74 CO 0.00 -1.02 1.09 -0.33 0.00 0.00 0.00 175.10 174.83 2z0r h GLU 75 N 9.69 0.58 -4.96 2.72 4.39 -1.85 -3.39 114.58 121.76 2z0r h GLU 75 Ca -0.24 -0.82 -0.45 0.00 0.34 0.00 0.00 59.36 58.19 2z0r h GLU 75 Cb 1.07 0.28 -0.14 0.00 -0.10 0.00 0.00 28.75 29.86 2z0r h GLU 75 CO 1.13 1.38 -0.56 0.00 -1.16 0.00 0.00 179.01 179.80 2z0r s ALA 76 N -2.88 2.19 0.00 3.43 0.00 -1.24 -0.42 121.76 122.84 2z0r s ALA 76 Ca -0.09 -1.69 0.00 0.00 0.00 0.00 0.00 51.96 50.18 2z0r s ALA 76 Cb 0.05 1.01 0.00 0.00 0.00 0.00 0.00 23.12 24.18 2z0r s ALA 76 CO 0.93 -0.45 0.00 0.28 0.00 0.00 0.00 175.76 176.53 2z0r n VAL 77 N -0.66 0.00 -3.57 0.00 0.31 0.97 -2.72 118.33 112.67 2z0r n VAL 77 Ca -0.01 0.00 -0.00 0.00 -0.01 0.00 0.00 64.34 64.32 2z0r n VAL 77 Cb 0.65 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.55 2z0r n VAL 77 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2z0r s VAL 79 N 1.63 -1.00 -1.17 2.52 1.01 0.42 0.10 120.40 123.91 2z0r s VAL 79 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 61.98 61.89 2z0r s VAL 79 Cb 0.00 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.36 2z0r s VAL 79 CO 0.00 0.00 0.81 0.47 0.00 0.00 0.00 175.10 176.38 2z0r n ASP 80 N 5.45 -4.25 -4.73 3.32 8.00 0.42 -4.30 116.55 120.45 2z0r n ASP 80 Ca -0.10 -0.84 -0.42 0.00 0.71 0.00 0.00 54.79 54.14 2z0r n ASP 80 Cb 0.49 -4.25 -0.03 0.00 -0.02 0.00 0.00 41.12 37.32 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 -3.50 3.20 -0.23 1.24 5.04 -1.26 -4.92 117.35 116.91 2z0r s TYR 81 Ca 0.30 1.09 -0.08 0.00 -2.44 0.00 0.00 57.07 55.93 2z0r s TYR 81 Cb -0.07 -3.68 -0.04 0.00 0.35 0.00 0.00 41.96 38.51 2z0r s TYR 81 CO 0.80 -2.24 0.10 1.03 -1.34 0.00 0.00 175.55 173.91 2z0r s ARG 82 N 0.18 3.87 0.19 4.97 0.52 -1.26 -4.89 118.95 122.53 2z0r s ARG 82 Ca 0.60 -0.38 -0.32 0.00 -0.52 0.00 0.00 55.73 55.11 2z0r s ARG 82 Cb -0.38 -3.37 -0.15 0.00 0.52 0.00 0.00 34.95 31.56 2z0r s ARG 82 CO 0.37 0.00 1.15 -2.30 0.02 0.00 0.00 175.30 174.54 2z0r n PRO 83 N 4.39 1.20 -1.06 3.54 -0.02 -1.26 -2.11 135.00 139.68 2z0r n PRO 83 Ca -0.16 0.43 -0.02 0.00 -2.02 0.00 0.00 63.50 61.73 2z0r n PRO 83 Cb 0.52 -1.91 -0.01 0.00 -0.02 0.00 0.00 33.50 32.08 2z0r n PRO 83 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2z0r n GLY 84 N 1.93 0.51 3.71 -1.23 0.00 -1.26 -5.03 105.19 103.82 2z0r n GLY 84 Ca 0.14 -0.21 -0.24 0.00 0.00 0.00 0.00 46.02 45.72 2z0r n GLY 84 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2z0r s THR 85 N -1.83 3.85 -0.08 2.61 -1.32 -0.90 -5.06 115.64 112.92 2z0r s THR 85 Ca 0.00 -1.62 -0.02 0.00 -1.21 0.00 0.00 61.69 58.84 2z0r s THR 85 Cb 0.00 -3.03 -0.01 0.00 -1.51 0.00 0.00 72.50 67.95 2z0r s THR 85 CO 0.00 -0.30 0.08 0.45 -2.21 0.00 0.00 174.62 172.65 2z0r h HIS 86 N 1.98 -0.06 -4.18 9.09 3.86 -1.96 -3.47 115.15 120.41 2z0r h HIS 86 Ca -0.46 -0.00 -0.54 0.00 -1.16 0.00 0.00 60.37 58.20 2z0r h HIS 86 Cb 1.23 0.02 0.17 0.00 1.06 0.00 0.00 27.41 29.90 2z0r h HIS 86 CO 0.63 -0.04 0.39 0.50 0.86 0.00 0.00 177.93 180.27 2z0r s ARG 87 N -1.69 1.91 0.00 2.45 3.52 -1.26 -5.02 118.95 118.87 2z0r s ARG 87 Ca -0.01 1.85 0.00 0.00 -0.13 0.00 0.00 55.73 57.44 2z0r s ARG 87 Cb 0.00 -1.80 0.00 0.00 -1.56 0.00 0.00 34.95 31.59 2z0r s ARG 87 CO 0.03 -2.03 0.00 0.00 -0.81 0.00 0.00 175.30 172.49 2z0r n ALA 88 N -2.88 0.00 -1.77 6.12 0.00 -1.26 -4.75 120.51 115.98 2z0r n ALA 88 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.18 2z0r n ALA 88 Cb 0.50 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.93 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 0.00 4.32 0.10 0.00 -0.21 -1.26 -4.88 119.66 117.73 2z0r s GLN 89 Ca 0.00 2.14 0.07 0.00 0.02 0.00 0.00 55.36 57.58 2z0r s GLN 89 Cb 0.00 -3.02 -0.04 0.00 1.00 0.00 0.00 33.01 30.95 2z0r s GLN 89 CO 0.00 -0.19 -0.08 0.08 -2.12 0.00 0.00 175.29 172.98 2z0r s VAL 90 N -1.18 3.48 -0.05 1.09 1.01 -1.26 -0.44 120.40 123.06 2z0r s VAL 90 Ca 0.50 -1.20 0.00 0.00 0.00 0.00 0.00 61.98 61.28 2z0r s VAL 90 Cb -0.38 -2.63 0.03 0.00 0.00 0.00 0.00 36.38 33.40 2z0r s VAL 90 CO 0.50 0.13 -0.01 0.00 0.00 0.00 0.00 175.10 175.72 2z0r s ALA 91 N -1.22 0.53 0.38 5.51 0.00 0.12 -4.93 121.76 122.15 2z0r s ALA 91 Ca 0.22 0.02 -0.26 0.00 0.00 0.00 0.00 51.96 51.93 2z0r s ALA 91 Cb -0.11 -0.48 -0.09 0.00 0.00 0.00 0.00 23.12 22.44 2z0r s ALA 91 CO 0.14 -0.18 1.20 1.03 0.00 0.00 0.00 175.76 177.95 2z0r s ARG 92 N 1.30 4.12 0.12 0.00 0.52 -1.26 -0.02 118.95 123.72 2z0r s ARG 92 Ca -0.06 1.93 -0.16 0.00 -0.52 0.00 0.00 55.73 56.93 2z0r s ARG 92 Cb -0.13 -2.77 -0.03 0.00 0.52 0.00 0.00 34.95 32.53 2z0r s ARG 92 CO -0.02 -0.29 1.57 0.28 0.02 0.00 0.00 175.30 176.86 2z0r h VAL 93 N 2.48 1.25 -0.63 3.52 2.07 -1.03 -1.34 116.25 122.57 2z0r h VAL 93 Ca -0.49 -0.93 0.12 0.00 0.82 0.00 0.00 66.70 66.23 2z0r h VAL 93 Cb 1.23 1.14 -0.12 0.00 -1.52 0.00 0.00 31.29 32.02 2z0r h VAL 93 CO 0.63 0.31 -0.22 0.11 0.02 0.00 0.00 177.57 178.42 2z0r h LYS 94 N 0.45 -0.06 0.28 1.57 1.57 -1.93 0.24 116.57 118.70 2z0r h LYS 94 Ca 0.11 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 2z0r h LYS 94 Cb 0.42 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.75 2z0r h LYS 94 CO 0.01 -0.04 -0.14 -0.44 -0.57 0.00 0.00 179.45 178.28 2z0r h ASP 95 N -0.06 -0.32 -1.07 0.86 3.32 -1.92 -2.73 116.42 114.50 2z0r h ASP 95 Ca 0.29 -0.17 0.28 0.00 0.02 0.00 0.00 57.03 57.45 2z0r h ASP 95 Cb 0.51 0.08 -0.09 0.00 0.22 0.00 0.00 39.33 40.05 2z0r h ASP 95 CO -0.68 0.02 0.69 -0.07 -1.72 0.00 0.00 179.24 177.48 2z0r h LEU 96 N -0.69 0.40 -0.11 1.55 3.38 -0.64 0.22 115.31 119.42 2z0r h LEU 96 Ca -0.04 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 2z0r h LEU 96 Cb 0.48 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 2z0r h LEU 96 CO 0.06 0.06 0.00 -0.07 0.09 0.00 0.00 178.44 178.59 2z0r h LEU 97 N 0.34 0.19 -2.25 1.67 3.38 -0.84 -0.77 115.31 117.03 2z0r h LEU 97 Ca 0.61 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 58.27 2z0r h LEU 97 Cb 1.64 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 42.34 2z0r h LEU 97 CO -0.28 0.45 -0.04 -0.33 0.09 0.00 0.00 178.44 178.33 2z0r h GLU 98 N -0.06 0.00 0.03 1.13 5.08 -0.35 -3.06 114.58 117.34 2z0r h GLU 98 Ca 0.03 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2z0r h GLU 98 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 2z0r h GLU 98 CO 0.01 0.04 -0.01 0.93 -1.00 0.00 0.00 179.01 178.97 2z0r h GLU 99 N 0.00 -0.04 0.00 2.33 5.08 -0.52 -3.30 114.58 118.14 2z0r h GLU 99 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2z0r h GLU 99 Cb 0.23 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.49 2z0r h GLU 99 CO 0.00 0.35 0.13 1.55 -1.00 0.00 0.00 179.01 180.04 2z0r n VAL 100 N -4.75 0.99 0.00 3.13 3.14 -0.34 -5.10 118.33 115.41 2z0r n VAL 100 Ca -0.04 0.38 0.00 0.00 -2.96 0.00 0.00 64.34 61.71 2z0r n VAL 100 Cb 0.20 -1.38 0.00 0.00 -1.06 0.00 0.00 33.84 31.60 2z0r n VAL 100 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91