#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 1.04 -1.54 -1.43 3.41 -1.26 -4.91 113.62 108.93 2z0r n SER 6 Ca 0.00 -0.84 0.00 0.00 -0.26 0.00 0.00 58.87 57.77 2z0r n SER 6 Cb 0.00 0.25 0.00 0.00 -0.26 0.00 0.00 64.21 64.20 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 1.39 1.17 3.77 5.00 0.00 -1.26 -5.04 105.19 110.22 2z0r n GLY 7 Ca 0.10 -1.98 -0.39 0.00 0.00 0.00 0.00 46.02 43.74 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 0.86 2.57 -0.12 2.61 2.01 -1.26 -4.91 115.64 117.39 2z0r s THR 8 Ca 0.00 0.50 -0.04 0.00 0.31 0.00 0.00 61.69 62.46 2z0r s THR 8 Cb 0.00 -3.29 -0.04 0.00 0.01 0.00 0.00 72.50 69.18 2z0r s THR 8 CO 0.00 0.07 0.03 0.26 -0.69 0.00 0.00 174.62 174.29 2z0r s TRP 9 N -1.27 3.24 -0.18 4.92 0.51 -0.02 -4.79 118.94 121.35 2z0r s TRP 9 Ca 0.58 0.16 -0.02 0.00 -2.12 0.00 0.00 56.10 54.71 2z0r s TRP 9 Cb -0.38 -1.91 -0.00 0.00 -0.81 0.00 0.00 33.47 30.37 2z0r s TRP 9 CO 0.49 0.38 -0.10 0.71 -0.51 0.00 0.00 176.95 177.91 2z0r s TYR 10 N -0.45 2.87 0.30 -1.98 2.02 -0.53 0.14 117.35 119.72 2z0r s TYR 10 Ca 0.09 -1.00 0.07 0.00 -0.37 0.00 0.00 57.07 55.86 2z0r s TYR 10 Cb -0.12 -1.99 -0.06 0.00 -0.40 0.00 0.00 41.96 39.40 2z0r s TYR 10 CO 0.02 -0.50 -0.07 0.14 -1.57 0.00 0.00 175.55 173.57 2z0r s VAL 11 N 1.10 1.82 -0.17 0.71 -7.23 -0.31 -0.73 120.40 115.58 2z0r s VAL 11 Ca 0.00 -2.15 -0.17 0.00 -1.81 0.00 0.00 61.98 57.86 2z0r s VAL 11 Cb -0.15 -2.51 -0.04 0.00 0.56 0.00 0.00 36.38 34.24 2z0r s VAL 11 CO -0.03 -0.27 0.42 -0.76 -0.31 0.00 0.00 175.10 174.16 2z0r s LEU 12 N -3.49 4.21 0.01 1.32 1.02 -1.26 -0.25 118.68 120.23 2z0r s LEU 12 Ca 0.30 0.64 0.02 0.00 0.02 0.00 0.00 54.13 55.11 2z0r s LEU 12 Cb 0.03 -2.58 -0.01 0.00 0.02 0.00 0.00 46.19 43.65 2z0r s LEU 12 CO 0.13 -0.04 -0.08 -0.70 0.02 0.00 0.00 176.35 175.69 2z0r s GLU 13 N 0.98 0.56 0.00 1.70 2.12 0.48 -4.12 118.70 120.42 2z0r s GLU 13 Ca 0.22 -0.42 0.00 0.00 0.36 0.00 0.00 54.97 55.13 2z0r s GLU 13 Cb -0.15 -0.49 0.00 0.00 0.26 0.00 0.00 34.13 33.75 2z0r s GLU 13 CO 0.08 0.12 0.00 0.41 -0.54 0.00 0.00 175.26 175.34 2z0r n GLY 14 N 2.45 0.27 3.90 -1.50 0.00 -0.61 0.33 105.19 110.03 2z0r n GLY 14 Ca -0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.58 2z0r n GLY 14 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2z0r s ASP 15 N -1.00 4.75 0.00 1.61 2.15 -1.26 -4.73 116.67 118.18 2z0r s ASP 15 Ca 0.00 0.75 0.00 0.00 0.43 0.00 0.00 52.55 53.73 2z0r s ASP 15 Cb 0.00 -1.34 0.00 0.00 -0.30 0.00 0.00 42.92 41.28 2z0r s ASP 15 CO 0.00 -1.73 0.00 -2.65 -0.17 0.00 0.00 175.17 170.62 2z0r n PRO 16 N -3.16 0.00 -1.06 4.34 -0.02 -1.26 -0.73 135.00 133.11 2z0r n PRO 16 Ca 0.08 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.56 2z0r n PRO 16 Cb 0.60 0.00 0.14 0.00 -0.02 0.00 0.00 33.50 34.22 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 -0.66 4.55 3.77 -1.23 0.00 -1.26 -5.04 105.19 105.33 2z0r n GLY 17 Ca 0.00 -1.44 -0.38 0.00 0.00 0.00 0.00 46.02 44.20 2z0r n GLY 17 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2z0r s GLU 18 N -2.80 4.14 0.37 1.61 2.02 0.09 -5.00 118.70 119.13 2z0r s GLU 18 Ca 0.39 0.38 0.05 0.00 0.02 0.00 0.00 54.97 55.81 2z0r s GLU 18 Cb 0.38 -3.34 -0.07 0.00 0.10 0.00 0.00 34.13 31.20 2z0r s GLU 18 CO -0.07 0.41 0.04 -1.01 0.02 0.00 0.00 175.26 174.65 2z0r s HIS 19 N -0.17 2.19 -0.26 1.61 3.76 -1.26 -1.58 115.29 119.57 2z0r s HIS 19 Ca 0.24 -0.85 -0.10 0.00 -0.15 0.00 0.00 55.06 54.19 2z0r s HIS 19 Cb -0.16 -1.50 -0.05 0.00 1.11 0.00 0.00 32.58 31.99 2z0r s HIS 19 CO 0.11 0.19 0.16 -1.17 -0.85 0.00 0.00 174.74 173.17 2z0r s LEU 20 N -3.60 3.93 -0.07 0.89 2.96 -1.26 -4.94 118.68 116.59 2z0r s LEU 20 Ca 0.34 -0.01 0.04 0.00 -0.22 0.00 0.00 54.13 54.28 2z0r s LEU 20 Cb 0.09 -2.07 0.00 0.00 0.50 0.00 0.00 46.19 44.71 2z0r s LEU 20 CO 0.16 -0.01 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.31 2z0r s VAL 21 N 1.49 1.53 -0.05 1.68 1.01 -1.26 -4.46 120.40 120.34 2z0r s VAL 21 Ca 0.07 -0.73 0.05 0.00 0.00 0.00 0.00 61.98 61.37 2z0r s VAL 21 Cb -0.15 -1.34 -0.01 0.00 0.00 0.00 0.00 36.38 34.88 2z0r s VAL 21 CO 0.08 0.44 -0.22 -0.69 0.00 0.00 0.00 175.10 174.71 2z0r s VAL 22 N 0.34 1.77 -0.42 2.92 1.01 -0.10 -4.95 120.40 120.97 2z0r s VAL 22 Ca -0.12 -0.91 -0.12 0.00 0.00 0.00 0.00 61.98 60.82 2z0r s VAL 22 Cb -0.15 -1.50 0.05 0.00 0.00 0.00 0.00 36.38 34.78 2z0r s VAL 22 CO 0.05 0.50 0.29 -1.61 0.00 0.00 0.00 175.10 174.32 2z0r s GLU 23 N -0.13 2.83 0.22 2.72 2.02 -1.26 -0.34 118.70 124.75 2z0r s GLU 23 Ca -0.02 -1.24 -0.16 0.00 0.02 0.00 0.00 54.97 53.56 2z0r s GLU 23 Cb -0.12 -3.89 0.02 0.00 0.10 0.00 0.00 34.13 30.23 2z0r s GLU 23 CO 0.03 -0.86 0.52 0.00 0.02 0.00 0.00 175.26 174.96 2z0r s ALA 24 N 1.56 -0.72 -1.48 5.21 0.00 -0.83 -4.91 121.76 120.59 2z0r s ALA 24 Ca 0.03 -0.45 -0.07 0.00 0.00 0.00 0.00 51.96 51.47 2z0r s ALA 24 Cb -0.22 0.90 0.03 0.00 0.00 0.00 0.00 23.12 23.84 2z0r s ALA 24 CO 0.06 -0.83 0.72 1.28 0.00 0.00 0.00 175.76 176.98 2z0r n LEU 25 N -0.35 -2.58 -1.70 0.00 4.77 -1.26 -1.52 117.00 114.36 2z0r n LEU 25 Ca -0.07 -0.39 -0.17 0.00 -0.03 0.00 0.00 56.01 55.35 2z0r n LEU 25 Cb 0.62 -2.79 -0.06 0.00 -2.33 0.00 0.00 43.42 38.86 2z0r n LEU 25 CO 0.19 0.31 -0.17 0.61 -1.33 0.00 0.00 177.39 176.99 2z0r n GLY 26 N -1.56 1.11 3.20 -0.72 0.00 -1.26 -4.93 105.19 101.03 2z0r n GLY 26 Ca -0.06 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.79 1.17 -0.37 1.61 2.56 -0.58 -5.11 118.70 114.20 2z0r s GLU 27 Ca 0.00 -1.59 -0.14 0.00 0.00 0.00 0.00 54.97 53.23 2z0r s GLU 27 Cb 0.00 0.27 -0.00 0.00 2.00 0.00 0.00 34.13 36.40 2z0r s GLU 27 CO 0.00 -0.38 0.30 1.03 -0.56 0.00 0.00 175.26 175.65 2z0r s ARG 28 N -4.14 3.33 0.22 4.30 0.52 -1.26 -1.96 118.95 119.96 2z0r s ARG 28 Ca 0.37 -0.71 0.09 0.00 -0.52 0.00 0.00 55.73 54.95 2z0r s ARG 28 Cb 0.07 -3.87 -0.04 0.00 0.52 0.00 0.00 34.95 31.63 2z0r s ARG 28 CO 0.10 -0.57 -0.02 -0.51 0.02 0.00 0.00 175.30 174.32 2z0r s LEU 29 N 1.80 3.19 0.00 2.53 1.43 0.53 -3.25 118.68 124.91 2z0r s LEU 29 Ca 0.07 -0.55 0.02 0.00 -1.03 0.00 0.00 54.13 52.65 2z0r s LEU 29 Cb -0.18 -1.79 -0.01 0.00 0.03 0.00 0.00 46.19 44.25 2z0r s LEU 29 CO 0.11 0.05 0.07 -0.24 0.23 0.00 0.00 176.35 176.57 2z0r n SER 30 N -0.45 0.95 -3.87 2.29 2.88 -1.00 -0.92 113.62 113.51 2z0r n SER 30 Ca -0.08 -1.95 -0.12 0.00 -1.33 0.00 0.00 58.87 55.39 2z0r n SER 30 Cb 0.57 0.48 -0.12 0.00 -0.75 0.00 0.00 64.21 64.38 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 -2.09 -0.00 -0.01 0.46 0.00 -1.26 -4.38 107.32 100.03 2z0r s GLY 31 Ca 0.10 0.06 0.05 0.00 0.00 0.00 0.00 44.72 44.93 2z0r s GLY 31 CO 0.07 0.00 -0.15 -0.42 0.00 0.00 0.00 173.10 172.60 2z0r s ILE 32 N -0.41 1.22 0.16 0.90 1.01 -1.26 -4.50 121.20 118.32 2z0r s ILE 32 Ca -0.05 -0.66 0.11 0.00 0.00 0.00 0.00 60.65 60.05 2z0r s ILE 32 Cb -0.03 -1.02 -0.04 0.00 0.01 0.00 0.00 42.46 41.38 2z0r s ILE 32 CO 0.00 0.34 -0.26 0.26 0.00 0.00 0.00 174.94 175.29 2z0r s TRP 33 N -0.37 2.31 -0.30 3.97 0.51 0.09 -1.00 118.94 124.15 2z0r s TRP 33 Ca 0.06 -0.37 0.24 0.00 -2.12 0.00 0.00 56.10 53.91 2z0r s TRP 33 Cb -0.06 -1.20 0.49 0.00 -0.81 0.00 0.00 33.47 31.89 2z0r s TRP 33 CO -0.01 0.40 1.66 1.15 -0.51 0.00 0.00 176.95 179.65 2z0r h THR 34 N 3.60 0.13 -3.69 2.01 2.02 -1.86 -1.40 112.91 113.73 2z0r h THR 34 Ca -0.49 -1.08 -0.14 0.00 0.77 0.00 0.00 66.41 65.47 2z0r h THR 34 Cb 1.19 1.97 -0.19 0.00 -1.74 0.00 0.00 68.15 69.37 2z0r h THR 34 CO 0.43 0.07 -0.53 -0.94 0.37 0.00 0.00 175.52 174.91 2z0r s SER 35 N -6.16 0.11 0.36 4.18 1.04 -1.26 -4.87 113.70 107.10 2z0r s SER 35 Ca 0.05 -0.37 0.05 0.00 0.48 0.00 0.00 55.95 56.16 2z0r s SER 35 Cb 0.06 0.20 0.68 0.00 0.10 0.00 0.00 66.02 67.06 2z0r s SER 35 CO 0.66 -0.42 1.95 -0.09 0.98 0.00 0.00 173.24 176.32 2z0r h ARG 36 N 4.08 0.58 -0.10 4.02 2.43 -1.96 -2.42 114.38 121.01 2z0r h ARG 36 Ca -0.32 -0.08 -0.15 0.00 -0.81 0.00 0.00 59.98 58.63 2z0r h ARG 36 Cb 1.19 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.63 2z0r h ARG 36 CO 0.44 0.50 -0.57 1.05 -1.51 0.00 0.00 179.97 179.88 2z0r h GLU 37 N 0.57 0.30 -0.29 0.20 9.09 -1.98 -0.89 114.58 121.58 2z0r h GLU 37 Ca 0.14 -0.20 -0.12 0.00 0.05 0.00 0.00 59.36 59.24 2z0r h GLU 37 Cb 0.15 0.03 -0.01 0.00 -1.65 0.00 0.00 28.75 27.27 2z0r h GLU 37 CO -0.01 0.79 -0.30 -0.07 0.05 0.00 0.00 179.01 179.47 2z0r h LEU 38 N 0.23 0.63 -0.23 3.06 3.38 -1.88 -0.46 115.31 120.03 2z0r h LEU 38 Ca -0.00 -0.24 -0.21 0.00 0.09 0.00 0.00 57.88 57.51 2z0r h LEU 38 Cb 1.08 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 41.66 2z0r h LEU 38 CO 0.09 0.90 -0.73 0.00 0.09 0.00 0.00 178.44 178.79 2z0r h ALA 39 N 1.15 0.39 -0.08 1.53 0.00 -1.26 -2.89 119.26 118.09 2z0r h ALA 39 Ca 0.06 -0.58 -0.07 0.00 0.00 0.00 0.00 54.91 54.32 2z0r h ALA 39 Cb 0.78 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 2z0r h ALA 39 CO 0.06 0.69 -0.27 0.93 0.00 0.00 0.00 179.25 180.66 2z0r h GLU 40 N 0.53 0.14 -0.66 0.00 5.08 -1.02 -1.84 114.58 116.81 2z0r h GLU 40 Ca -0.04 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.22 2z0r h GLU 40 Cb 1.34 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.55 2z0r h GLU 40 CO 0.15 0.41 0.19 0.00 -1.00 0.00 0.00 179.01 178.76 2z0r h ALA 41 N 1.60 0.87 -0.24 3.43 0.00 -1.00 0.27 119.26 124.18 2z0r h ALA 41 Ca 0.02 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 2z0r h ALA 41 Cb 0.56 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2z0r h ALA 41 CO 0.04 0.56 0.11 0.35 0.00 0.00 0.00 179.25 180.30 2z0r h PHE 42 N 0.97 0.35 -0.37 0.00 3.57 -1.19 -1.04 116.94 119.23 2z0r h PHE 42 Ca 0.21 -0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.61 2z0r h PHE 42 Cb 0.32 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.94 2z0r h PHE 42 CO 0.02 0.36 -0.09 -0.07 -2.23 0.00 0.00 178.31 176.30 2z0r h LEU 43 N 0.25 0.61 -0.86 0.59 3.38 -1.02 -1.86 115.31 116.40 2z0r h LEU 43 Ca 0.08 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 2z0r h LEU 43 Cb 0.14 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 2z0r h LEU 43 CO -0.01 0.74 0.53 0.00 0.09 0.00 0.00 178.44 179.79 2z0r h ALA 44 N 1.32 1.09 0.00 1.53 0.00 -0.15 -0.08 119.26 122.97 2z0r h ALA 44 Ca 0.11 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2z0r h ALA 44 Cb 0.51 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2z0r h ALA 44 CO 0.03 0.54 0.00 0.72 0.00 0.00 0.00 179.25 180.54 2z0r n HIS 45 N -4.44 0.00 -3.16 0.00 8.25 -0.42 -3.74 115.22 111.71 2z0r n HIS 45 Ca 0.09 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.33 2z0r n HIS 45 Cb 0.05 -0.43 -0.04 0.00 1.12 0.00 0.00 29.99 30.68 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 -1.43 1.11 0.04 4.41 8.25 -0.10 -4.96 115.22 122.54 2z0r n HIS 46 Ca 0.07 -3.83 0.19 0.00 -0.26 0.00 0.00 57.72 53.90 2z0r n HIS 46 Cb 0.25 -0.43 0.71 0.00 1.12 0.00 0.00 29.99 31.64 2z0r n HIS 46 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 2z0r h PRO 47 N 3.31 0.00 0.00 -0.41 0.11 -1.50 -2.47 132.00 131.04 2z0r h PRO 47 Ca 0.11 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.16 2z0r h PRO 47 Cb 0.83 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.93 2z0r h PRO 47 CO 0.58 0.00 -0.29 1.12 -0.21 0.00 0.00 178.00 179.20 2z0r h HIS 48 N 0.00 0.00 -0.89 0.65 2.07 -1.93 -3.05 115.15 112.01 2z0r h HIS 48 Ca 0.22 0.00 0.05 0.00 -2.85 0.00 0.00 60.37 57.79 2z0r h HIS 48 Cb 0.93 0.00 -0.05 0.00 2.57 0.00 0.00 27.41 30.86 2z0r h HIS 48 CO 0.00 0.29 0.58 -0.07 -3.07 0.00 0.00 177.93 175.66 2z0r h LEU 49 N 0.00 0.92 -2.26 6.12 3.38 -1.79 -3.55 115.31 118.13 2z0r h LEU 49 Ca -0.00 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2z0r h LEU 49 Cb 0.56 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.11 2z0r h LEU 49 CO 0.04 0.61 -0.89 0.61 0.09 0.00 0.00 178.44 178.90 2z0r n GLY 50 N -1.40 -3.34 3.33 0.83 0.00 -1.15 -5.07 105.19 98.39 2z0r n GLY 50 Ca 0.13 0.65 -0.14 0.00 0.00 0.00 0.00 46.02 46.66 2z0r n GLY 50 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2z0r s ARG 52 N -1.85 1.49 -0.17 1.61 0.52 0.15 -4.85 118.95 115.85 2z0r s ARG 52 Ca 0.07 -1.67 -0.06 0.00 -0.52 0.00 0.00 55.73 53.54 2z0r s ARG 52 Cb -0.02 0.34 -0.04 0.00 0.52 0.00 0.00 34.95 35.76 2z0r s ARG 52 CO 0.75 -0.55 0.05 0.08 0.02 0.00 0.00 175.30 175.65 2z0r s VAL 53 N -3.82 4.70 -0.06 3.52 1.01 -1.26 -0.39 120.40 124.11 2z0r s VAL 53 Ca 0.35 -0.07 0.06 0.00 0.00 0.00 0.00 61.98 62.32 2z0r s VAL 53 Cb 0.04 -3.10 -0.01 0.00 0.00 0.00 0.00 36.38 33.31 2z0r s VAL 53 CO 0.16 0.49 -0.25 -0.44 0.00 0.00 0.00 175.10 175.06 2z0r s SER 54 N 0.15 3.09 0.05 3.32 0.01 0.65 -4.93 113.70 116.04 2z0r s SER 54 Ca 0.04 -0.51 -0.21 0.00 1.31 0.00 0.00 55.95 56.59 2z0r s SER 54 Cb -0.12 -0.88 -0.06 0.00 0.21 0.00 0.00 66.02 65.17 2z0r s SER 54 CO 0.01 0.24 0.60 0.00 0.41 0.00 0.00 173.24 174.50 2z0r s ALA 55 N -0.14 3.53 -0.68 1.44 0.00 -1.26 -1.16 121.76 123.49 2z0r s ALA 55 Ca -0.04 0.07 0.05 0.00 0.00 0.00 0.00 51.96 52.04 2z0r s ALA 55 Cb -0.14 -2.72 0.16 0.00 0.00 0.00 0.00 23.12 20.43 2z0r s ALA 55 CO 0.04 0.29 0.46 -0.51 0.00 0.00 0.00 175.76 176.04 2z0r s LEU 56 N -0.71 4.75 0.06 0.00 1.43 0.37 -4.91 118.68 119.66 2z0r s LEU 56 Ca 0.31 -3.75 0.13 0.00 -1.03 0.00 0.00 54.13 49.79 2z0r s LEU 56 Cb -0.19 -1.63 -0.16 0.00 0.03 0.00 0.00 46.19 44.23 2z0r s LEU 56 CO 0.19 -0.10 0.91 1.05 0.23 0.00 0.00 176.35 178.63 2z0r h GLU 57 N 5.54 0.00 -6.69 1.70 4.11 -1.91 -0.01 114.58 117.32 2z0r h GLU 57 Ca 0.12 0.00 -0.48 0.00 0.07 0.00 0.00 59.36 59.06 2z0r h GLU 57 Cb 0.77 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.04 2z0r h GLU 57 CO 0.71 0.50 -0.06 -1.54 0.07 0.00 0.00 179.01 178.69 2z0r s SER 58 N -6.13 6.29 0.22 3.06 1.04 -1.26 -4.74 113.70 112.18 2z0r s SER 58 Ca -0.02 0.66 -0.06 0.00 0.48 0.00 0.00 55.95 57.00 2z0r s SER 58 Cb 0.08 -2.12 0.20 0.00 0.10 0.00 0.00 66.02 64.28 2z0r s SER 58 CO 0.81 -0.41 1.75 -0.09 0.98 0.00 0.00 173.24 176.28 2z0r h ARG 59 N 0.55 1.06 -0.06 4.02 1.12 -1.93 -2.36 114.38 116.78 2z0r h ARG 59 Ca -0.49 -0.24 0.01 0.00 -1.11 0.00 0.00 59.98 58.15 2z0r h ARG 59 Cb 1.21 -0.15 -0.01 0.00 -0.01 0.00 0.00 29.97 31.02 2z0r h ARG 59 CO 0.62 0.93 -0.01 0.00 -3.11 0.00 0.00 179.97 178.40 2z0r h ALA 60 N 1.17 0.05 -0.63 2.80 0.00 -1.95 -1.40 119.26 119.31 2z0r h ALA 60 Ca 0.21 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 2z0r h ALA 60 Cb 0.35 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 2z0r h ALA 60 CO 0.00 -0.48 0.22 -0.07 0.00 0.00 0.00 179.25 178.92 2z0r h LEU 61 N 0.01 0.87 -0.49 0.00 3.38 -1.91 -1.74 115.31 115.43 2z0r h LEU 61 Ca 0.03 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 2z0r h LEU 61 Cb 0.04 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 2z0r h LEU 61 CO -0.05 0.80 0.10 0.11 0.09 0.00 0.00 178.44 179.49 2z0r h LYS 62 N 0.92 0.80 -0.15 1.13 1.57 -1.16 -0.74 116.57 118.94 2z0r h LYS 62 Ca 0.21 -0.20 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2z0r h LYS 62 Cb 0.22 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 2z0r h LYS 62 CO -0.01 0.78 0.08 0.93 -0.57 0.00 0.00 179.45 180.66 2z0r h GLU 63 N 0.68 0.20 -0.75 3.15 4.39 -1.03 -0.47 114.58 120.76 2z0r h GLU 63 Ca 0.15 -0.02 0.03 0.00 0.34 0.00 0.00 59.36 59.85 2z0r h GLU 63 Cb 0.35 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.92 2z0r h GLU 63 CO 0.00 0.22 0.48 0.00 -1.16 0.00 0.00 179.01 178.55 2z0r h ALA 64 N 0.98 0.97 -0.48 3.43 0.00 -1.20 -0.89 119.26 122.08 2z0r h ALA 64 Ca 0.05 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2z0r h ALA 64 Cb 0.07 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 2z0r h ALA 64 CO -0.01 0.29 0.21 -0.92 0.00 0.00 0.00 179.25 178.82 2z0r h TYR 65 N 0.95 0.71 -0.34 0.00 3.20 -0.84 -1.00 116.97 119.64 2z0r h TYR 65 Ca 0.29 -0.05 -0.05 0.00 3.14 0.00 0.00 58.73 62.06 2z0r h TYR 65 Cb -0.02 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.02 2z0r h TYR 65 CO -0.03 0.59 -0.02 -0.07 -1.64 0.00 0.00 178.16 176.99 2z0r h LEU 66 N 0.63 0.50 -0.75 2.82 3.38 -0.52 -1.12 115.31 120.25 2z0r h LEU 66 Ca 0.16 -0.10 -0.10 0.00 0.09 0.00 0.00 57.88 57.93 2z0r h LEU 66 Cb 0.16 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 2z0r h LEU 66 CO -0.02 0.58 -0.12 0.03 0.09 0.00 0.00 178.44 179.01 2z0r h ARG 67 N 0.51 0.84 -0.24 1.13 2.47 -0.82 -1.90 114.38 116.36 2z0r h ARG 67 Ca 0.11 -0.29 -0.01 0.00 -1.26 0.00 0.00 59.98 58.53 2z0r h ARG 67 Cb 0.36 -0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.60 2z0r h ARG 67 CO 0.01 0.91 0.11 0.00 0.56 0.00 0.00 179.97 181.56 2z0r h ALA 68 N 1.11 0.31 -0.95 0.04 0.00 -0.32 -2.37 119.26 117.09 2z0r h ALA 68 Ca 0.12 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.98 2z0r h ALA 68 Cb 0.62 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.26 2z0r h ALA 68 CO 0.04 -0.11 0.62 -0.07 0.00 0.00 0.00 179.25 179.73 2z0r h LEU 69 N 0.24 0.99 -1.89 0.00 3.38 -1.06 0.27 115.31 117.25 2z0r h LEU 69 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2z0r h LEU 69 Cb 0.15 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.68 2z0r h LEU 69 CO -0.01 0.65 0.00 0.61 0.09 0.00 0.00 178.44 179.78 2z0r n GLY 70 N -1.38 0.27 0.00 0.83 0.00 -0.73 -0.85 105.19 103.33 2z0r n GLY 70 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 0.87 0.00 -1.16 0.99 4.77 0.08 -4.56 117.00 117.99 2z0r n LEU 72 Ca 0.00 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.87 2z0r n LEU 72 Cb 0.07 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.14 2z0r n LEU 72 CO 0.00 0.00 -0.13 0.00 -1.33 0.00 0.00 177.39 175.93 2z0r n GLN 73 N 0.00 -0.87 -3.59 3.23 1.13 -0.33 -4.99 117.38 111.95 2z0r n GLN 73 Ca 0.00 0.66 -0.38 0.00 -1.94 0.00 0.00 57.00 55.35 2z0r n GLN 73 Cb 0.00 -4.75 -0.11 0.00 0.11 0.00 0.00 30.24 25.49 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 -2.52 5.31 -1.12 5.09 1.01 -0.03 -4.66 120.40 123.48 2z0r s VAL 74 Ca 0.00 0.17 0.13 0.00 0.00 0.00 0.00 61.98 62.28 2z0r s VAL 74 Cb 0.00 -3.53 -0.02 0.00 0.00 0.00 0.00 36.38 32.83 2z0r s VAL 74 CO 0.00 0.26 0.72 -0.62 0.00 0.00 0.00 175.10 175.45 2z0r n GLU 75 N 5.02 2.01 -4.02 2.72 1.02 -1.20 -4.32 120.64 121.87 2z0r n GLU 75 Ca -0.14 -0.61 -0.08 0.00 -0.02 0.00 0.00 57.16 56.31 2z0r n GLU 75 Cb 0.52 -1.17 -0.10 0.00 -0.02 0.00 0.00 31.44 30.67 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 -1.71 0.27 0.00 0.62 0.00 -1.25 0.19 121.76 119.88 2z0r s ALA 76 Ca 0.10 -0.92 0.00 0.00 0.00 0.00 0.00 51.96 51.14 2z0r s ALA 76 Cb 0.10 0.26 0.00 0.00 0.00 0.00 0.00 23.12 23.49 2z0r s ALA 76 CO 0.35 -0.33 0.00 0.28 0.00 0.00 0.00 175.76 176.06 2z0r n VAL 77 N 0.49 0.00 -3.65 0.00 0.31 0.05 -2.37 118.33 113.15 2z0r n VAL 77 Ca -0.17 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.15 2z0r n VAL 77 Cb 0.60 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.48 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 0.98 -0.91 -1.27 2.52 1.01 0.20 0.45 120.40 123.38 2z0r s VAL 79 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 61.98 61.97 2z0r s VAL 79 Cb 0.00 -0.99 -0.00 0.00 0.00 0.00 0.00 36.38 35.38 2z0r s VAL 79 CO 0.00 0.00 0.75 0.47 0.00 0.00 0.00 175.10 176.32 2z0r n ASP 80 N 5.36 -1.78 -4.77 3.32 8.00 -0.17 -4.41 116.55 122.11 2z0r n ASP 80 Ca -0.13 -0.81 -0.40 0.00 0.71 0.00 0.00 54.79 54.17 2z0r n ASP 80 Cb 0.50 -4.19 -0.00 0.00 -0.02 0.00 0.00 41.12 37.40 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 -3.61 2.76 0.00 1.24 5.04 -1.26 -4.97 117.35 116.55 2z0r s TYR 81 Ca 0.05 1.34 0.00 0.00 -2.44 0.00 0.00 57.07 56.02 2z0r s TYR 81 Cb -0.01 -3.79 0.00 0.00 0.35 0.00 0.00 41.96 38.51 2z0r s TYR 81 CO 0.80 -2.37 0.00 2.89 -1.34 0.00 0.00 175.55 175.53 2z0r n ARG 82 N 0.29 0.00 0.09 4.97 1.85 -1.26 -4.94 116.66 117.66 2z0r n ARG 82 Ca 0.03 0.00 -0.12 0.00 -1.00 0.00 0.00 57.85 56.75 2z0r n ARG 82 Cb 0.42 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 31.77 2z0r n ARG 82 CO 0.00 0.00 0.00 -1.35 -0.01 0.00 0.00 177.63 176.27 2z0r h PRO 83 N 0.00 -0.20 -0.27 2.89 0.11 -2.00 -3.24 132.00 129.29 2z0r h PRO 83 Ca 0.00 0.01 0.08 0.00 0.11 0.00 0.00 66.00 66.20 2z0r h PRO 83 Cb 0.00 0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.15 2z0r h PRO 83 CO 0.00 -0.14 0.68 0.78 -0.21 0.00 0.00 178.00 179.11 2z0r h GLY 84 N -0.21 0.00 -1.20 -0.55 0.00 -1.99 -3.43 103.07 95.68 2z0r h GLY 84 Ca 0.01 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.85 2z0r h GLY 84 CO -0.04 0.00 0.19 -0.51 0.00 0.00 0.00 176.54 176.18 2z0r s THR 85 N -4.24 2.33 -0.13 4.70 -4.23 -1.22 -4.98 115.64 107.86 2z0r s THR 85 Ca -0.03 0.11 -0.22 0.00 -1.18 0.00 0.00 61.69 60.37 2z0r s THR 85 Cb 0.09 -2.29 -0.20 0.00 1.34 0.00 0.00 72.50 71.45 2z0r s THR 85 CO 0.30 -0.14 0.57 1.12 -0.54 0.00 0.00 174.62 175.93 2z0r h HIS 86 N -1.90 0.00 -4.78 3.99 2.07 -1.92 -3.49 115.15 109.12 2z0r h HIS 86 Ca -0.49 0.00 -0.51 0.00 -2.85 0.00 0.00 60.37 56.52 2z0r h HIS 86 Cb 1.28 0.00 -0.12 0.00 2.57 0.00 0.00 27.41 31.15 2z0r h HIS 86 CO 0.44 0.76 -0.44 0.54 -3.07 0.00 0.00 177.93 176.16 2z0r n ARG 87 N -4.65 0.56 -3.61 5.12 1.74 -1.26 -5.14 116.66 109.43 2z0r n ARG 87 Ca -0.08 -3.23 -0.38 0.00 -0.77 0.00 0.00 57.85 53.39 2z0r n ARG 87 Cb 0.37 1.89 -0.06 0.00 -1.02 0.00 0.00 32.46 33.64 2z0r n ARG 87 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2z0r s ALA 88 N -3.08 3.73 -0.46 7.54 0.00 -1.26 -5.03 121.76 123.19 2z0r s ALA 88 Ca 0.22 -0.36 -0.15 0.00 0.00 0.00 0.00 51.96 51.67 2z0r s ALA 88 Cb 0.01 -2.28 0.07 0.00 0.00 0.00 0.00 23.12 20.93 2z0r s ALA 88 CO 0.16 0.46 0.38 -0.65 0.00 0.00 0.00 175.76 176.10 2z0r s GLN 89 N -0.83 2.93 -0.19 0.00 -0.21 -1.26 -5.03 119.66 115.08 2z0r s GLN 89 Ca 0.20 -1.36 -0.01 0.00 0.02 0.00 0.00 55.36 54.21 2z0r s GLN 89 Cb -0.15 -4.08 -0.00 0.00 1.00 0.00 0.00 33.01 29.78 2z0r s GLN 89 CO 0.09 -1.01 -0.11 0.08 -2.12 0.00 0.00 175.29 172.22 2z0r s VAL 90 N 1.62 2.90 -0.19 1.09 1.01 -1.26 0.60 120.40 126.17 2z0r s VAL 90 Ca 0.04 -0.67 -0.04 0.00 0.00 0.00 0.00 61.98 61.31 2z0r s VAL 90 Cb -0.24 -2.27 -0.02 0.00 0.00 0.00 0.00 36.38 33.85 2z0r s VAL 90 CO 0.06 0.48 -0.02 0.00 0.00 0.00 0.00 175.10 175.62 2z0r s ALA 91 N 1.16 2.98 0.16 5.51 0.00 0.17 -4.91 121.76 126.84 2z0r s ALA 91 Ca 0.01 -0.95 -0.31 0.00 0.00 0.00 0.00 51.96 50.71 2z0r s ALA 91 Cb -0.14 -1.68 -0.10 0.00 0.00 0.00 0.00 23.12 21.20 2z0r s ALA 91 CO -0.04 -0.05 1.54 1.03 0.00 0.00 0.00 175.76 178.24 2z0r s ARG 92 N 0.83 4.23 0.46 0.00 1.81 -1.26 -0.77 118.95 124.25 2z0r s ARG 92 Ca -0.00 2.32 0.15 0.00 -1.72 0.00 0.00 55.73 56.47 2z0r s ARG 92 Cb -0.14 -3.17 1.10 0.00 -0.45 0.00 0.00 34.95 32.29 2z0r s ARG 92 CO 0.02 -0.57 2.04 0.28 -0.68 0.00 0.00 175.30 176.38 2z0r h VAL 93 N 4.03 0.94 -0.93 3.52 2.07 -0.59 0.73 116.25 126.02 2z0r h VAL 93 Ca -0.43 -0.10 0.05 0.00 0.82 0.00 0.00 66.70 67.04 2z0r h VAL 93 Cb 1.21 0.62 -0.06 0.00 -1.52 0.00 0.00 31.29 31.54 2z0r h VAL 93 CO 0.90 0.05 0.61 0.50 0.02 0.00 0.00 177.57 179.65 2z0r h LYS 94 N 0.29 1.08 0.07 1.57 3.64 -1.90 -2.13 116.57 119.19 2z0r h LYS 94 Ca 0.19 -0.07 -0.24 0.00 -1.27 0.00 0.00 60.65 59.26 2z0r h LYS 94 Cb 0.37 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 2z0r h LYS 94 CO -0.04 0.72 -1.12 -0.44 -2.27 0.00 0.00 179.45 176.30 2z0r h ASP 95 N 1.11 0.23 0.39 4.20 3.32 -1.27 -3.13 116.42 121.27 2z0r h ASP 95 Ca 0.38 -0.24 -0.02 0.00 0.02 0.00 0.00 57.03 57.17 2z0r h ASP 95 Cb 0.10 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.58 2z0r h ASP 95 CO -0.13 1.18 -0.10 -0.07 -1.72 0.00 0.00 179.24 178.40 2z0r h LEU 96 N 0.04 0.00 -0.29 1.55 3.38 -0.88 -1.79 115.31 117.31 2z0r h LEU 96 Ca -0.07 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.71 2z0r h LEU 96 Cb 1.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.61 2z0r h LEU 96 CO 0.17 0.10 -0.57 -0.07 0.09 0.00 0.00 178.44 178.16 2z0r h LEU 97 N 0.00 0.96 -0.74 1.67 3.38 -1.34 -1.38 115.31 117.87 2z0r h LEU 97 Ca -0.00 -0.53 -0.13 0.00 0.09 0.00 0.00 57.88 57.31 2z0r h LEU 97 Cb 0.32 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2z0r h LEU 97 CO 0.01 1.33 -0.53 -0.33 0.09 0.00 0.00 178.44 179.01 2z0r h GLU 98 N 0.65 0.27 -0.10 1.13 5.08 -1.38 -2.39 114.58 117.83 2z0r h GLU 98 Ca 0.01 -0.16 -0.16 0.00 -1.00 0.00 0.00 59.36 58.04 2z0r h GLU 98 Cb 1.18 0.02 0.01 0.00 0.50 0.00 0.00 28.75 30.45 2z0r h GLU 98 CO 0.13 0.73 -0.57 1.49 -1.00 0.00 0.00 179.01 179.79 2z0r h GLU 99 N 0.21 0.57 0.00 2.33 4.81 -1.32 -3.05 114.58 118.12 2z0r h GLU 99 Ca 0.00 -0.47 -0.00 0.00 -0.13 0.00 0.00 59.36 58.76 2z0r h GLU 99 Cb 1.01 0.10 -0.00 0.00 0.63 0.00 0.00 28.75 30.49 2z0r h GLU 99 CO 0.08 1.10 -0.01 0.28 -0.73 0.00 0.00 179.01 179.73 2z0r h VAL 100 N 0.19 0.96 0.00 0.32 2.07 -1.19 -0.02 116.25 118.58 2z0r h VAL 100 Ca -0.04 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.45 2z0r h VAL 100 Cb 1.22 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 32.00 2z0r h VAL 100 CO 0.12 0.01 0.00 0.54 0.02 0.00 0.00 177.57 178.26 2z0r n ARG 101 N -4.46 0.07 -0.10 1.57 1.74 -0.91 -1.82 116.66 112.75 2z0r n ARG 101 Ca -0.03 0.26 0.04 0.00 -0.77 0.00 0.00 57.85 57.34 2z0r n ARG 101 Cb 0.10 -1.50 0.09 0.00 -1.02 0.00 0.00 32.46 30.13 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 -1.39 2.59 0.00 5.56 1.74 -0.02 -5.11 116.66 120.03 2z0r n ARG 102 Ca 0.04 -1.74 0.09 0.00 -0.77 0.00 0.00 57.85 55.47 2z0r n ARG 102 Cb 0.10 -1.17 0.08 0.00 -1.02 0.00 0.00 32.46 30.45 2z0r n ARG 102 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11