#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2z0r n LEU 5 N 0.00 0.42 -4.75 -2.12 4.77 -1.26 -4.83 117.00 109.24 2z0r n LEU 5 Ca 0.00 0.03 -0.41 0.00 -0.03 0.00 0.00 56.01 55.59 2z0r n LEU 5 Cb 0.00 -0.18 -0.03 0.00 -2.33 0.00 0.00 43.42 40.88 2z0r n LEU 5 CO 0.00 0.08 0.95 -0.55 -1.33 0.00 0.00 177.39 176.54 2z0r s SER 6 N -2.45 6.94 0.00 -1.43 0.15 -1.26 -4.78 113.70 110.86 2z0r s SER 6 Ca 0.30 2.42 0.00 0.00 0.70 0.00 0.00 55.95 59.37 2z0r s SER 6 Cb 0.20 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.89 2z0r s SER 6 CO 0.46 -0.47 0.00 0.61 1.20 0.00 0.00 173.24 175.05 2z0r n GLY 7 N 1.90 1.27 3.49 9.45 0.00 -1.26 -5.00 105.19 115.05 2z0r n GLY 7 Ca 0.04 -1.90 -0.53 0.00 0.00 0.00 0.00 46.02 43.62 2z0r n GLY 7 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2z0r n THR 8 N 1.52 0.75 -4.01 2.61 -1.04 -1.26 -4.98 114.28 107.88 2z0r n THR 8 Ca 0.00 -0.19 -0.36 0.00 -2.04 0.00 0.00 64.05 61.46 2z0r n THR 8 Cb 0.00 -0.22 -0.07 0.00 -1.82 0.00 0.00 70.33 68.21 2z0r n THR 8 CO 0.00 0.00 0.00 0.26 -0.64 0.00 0.00 175.07 174.69 2z0r s TRP 9 N -0.30 3.43 -0.31 -1.42 0.51 -0.23 -4.76 118.94 115.86 2z0r s TRP 9 Ca 0.79 0.38 -0.05 0.00 -2.12 0.00 0.00 56.10 55.10 2z0r s TRP 9 Cb -1.07 -1.93 0.03 0.00 -0.81 0.00 0.00 33.47 29.69 2z0r s TRP 9 CO 0.55 0.57 0.06 0.71 -0.51 0.00 0.00 176.95 178.34 2z0r s TYR 10 N -0.73 3.21 0.40 -1.98 2.02 0.17 -0.25 117.35 120.18 2z0r s TYR 10 Ca 0.13 -1.40 0.07 0.00 -0.37 0.00 0.00 57.07 55.50 2z0r s TYR 10 Cb -0.12 -2.22 -0.08 0.00 -0.40 0.00 0.00 41.96 39.15 2z0r s TYR 10 CO 0.03 -0.70 -0.01 0.14 -1.57 0.00 0.00 175.55 173.44 2z0r s VAL 11 N 1.39 2.01 0.08 0.71 -7.23 -0.10 -0.70 120.40 116.57 2z0r s VAL 11 Ca -0.01 -2.04 -0.05 0.00 -1.81 0.00 0.00 61.98 58.08 2z0r s VAL 11 Cb -0.19 -2.93 -0.05 0.00 0.56 0.00 0.00 36.38 33.77 2z0r s VAL 11 CO 0.01 -0.04 0.31 -0.76 -0.31 0.00 0.00 175.10 174.32 2z0r s LEU 12 N -3.68 4.32 -0.04 1.32 1.02 -1.26 -0.67 118.68 119.68 2z0r s LEU 12 Ca 0.35 0.52 -0.10 0.00 0.02 0.00 0.00 54.13 54.92 2z0r s LEU 12 Cb 0.09 -3.04 0.02 0.00 0.02 0.00 0.00 46.19 43.28 2z0r s LEU 12 CO 0.18 0.14 0.24 -0.70 0.02 0.00 0.00 176.35 176.23 2z0r s GLU 13 N -2.33 0.47 0.00 1.70 2.12 -0.43 -4.34 118.70 115.89 2z0r s GLU 13 Ca 0.35 -0.02 0.00 0.00 0.36 0.00 0.00 54.97 55.67 2z0r s GLU 13 Cb -0.13 0.21 0.00 0.00 0.26 0.00 0.00 34.13 34.47 2z0r s GLU 13 CO 0.23 -0.10 0.00 0.41 -0.54 0.00 0.00 175.26 175.25 2z0r n GLY 14 N 2.02 2.31 3.80 -1.50 0.00 -0.87 -1.35 105.19 109.60 2z0r n GLY 14 Ca -0.18 -0.25 -0.33 0.00 0.00 0.00 0.00 46.02 45.26 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 5.72 -0.08 1.61 1.01 -1.26 -4.89 116.67 119.79 2z0r s ASP 15 Ca 0.00 1.87 -0.38 0.00 0.71 0.00 0.00 52.55 54.75 2z0r s ASP 15 Cb 0.00 -2.54 -0.16 0.00 1.01 0.00 0.00 42.92 41.23 2z0r s ASP 15 CO 0.00 -1.21 1.56 -2.65 0.21 0.00 0.00 175.17 173.09 2z0r n PRO 16 N -1.98 1.27 -2.19 8.23 -0.02 -1.26 -1.62 135.00 137.43 2z0r n PRO 16 Ca 0.09 0.46 -0.05 0.00 -2.02 0.00 0.00 63.50 61.98 2z0r n PRO 16 Cb 0.53 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 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 3.42 0.21 2.85 -1.23 0.00 -1.26 -5.03 105.19 104.15 2z0r n GLY 17 Ca 0.22 -0.64 -0.27 0.00 0.00 0.00 0.00 46.02 45.33 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 -4.41 1.21 -0.04 1.61 2.12 -0.64 -5.01 118.70 113.56 2z0r s GLU 18 Ca 0.02 -0.31 0.05 0.00 0.36 0.00 0.00 54.97 55.09 2z0r s GLU 18 Cb -0.01 -1.70 0.08 0.00 0.26 0.00 0.00 34.13 32.77 2z0r s GLU 18 CO 0.02 -0.38 1.00 0.72 -0.54 0.00 0.00 175.26 176.09 2z0r n HIS 19 N 4.97 0.00 -1.70 5.30 8.25 -1.26 -2.05 115.22 128.72 2z0r n HIS 19 Ca -0.11 -0.58 -0.01 0.00 -0.26 0.00 0.00 57.72 56.76 2z0r n HIS 19 Cb 0.49 -0.07 -0.01 0.00 1.12 0.00 0.00 29.99 31.51 2z0r n HIS 19 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 2z0r n LEU 20 N -0.71 -2.77 -4.53 2.41 7.94 -1.26 -4.53 117.00 113.56 2z0r n LEU 20 Ca 0.05 0.42 -0.33 0.00 -1.11 0.00 0.00 56.01 55.03 2z0r n LEU 20 Cb 0.39 -1.42 -0.12 0.00 0.53 0.00 0.00 43.42 42.80 2z0r n LEU 20 CO 0.00 -0.73 -0.42 -0.69 -1.11 0.00 0.00 177.39 174.44 2z0r s VAL 21 N -0.13 3.39 -0.06 1.96 1.01 -1.26 -4.38 120.40 120.93 2z0r s VAL 21 Ca -0.05 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.36 2z0r s VAL 21 Cb 0.00 -2.36 0.01 0.00 0.00 0.00 0.00 36.38 34.03 2z0r s VAL 21 CO 0.15 0.59 -0.14 0.54 0.00 0.00 0.00 175.10 176.24 2z0r s VAL 22 N -0.73 1.24 -0.81 2.92 0.11 0.18 -4.93 120.40 118.39 2z0r s VAL 22 Ca 0.11 -0.57 -0.15 0.00 -2.93 0.00 0.00 61.98 58.44 2z0r s VAL 22 Cb -0.11 -1.10 0.19 0.00 -1.53 0.00 0.00 36.38 33.83 2z0r s VAL 22 CO 0.01 0.37 0.79 -1.61 -3.33 0.00 0.00 175.10 171.34 2z0r s GLU 23 N 0.41 3.53 -0.32 1.54 2.02 -1.26 0.23 118.70 124.85 2z0r s GLU 23 Ca -0.11 -2.25 -0.03 0.00 0.02 0.00 0.00 54.97 52.61 2z0r s GLU 23 Cb -0.14 -4.48 0.06 0.00 0.10 0.00 0.00 34.13 29.67 2z0r s GLU 23 CO 0.03 -1.37 0.04 0.00 0.02 0.00 0.00 175.26 173.98 2z0r s ALA 24 N 0.75 2.90 0.00 5.21 0.00 -0.97 -4.51 121.76 125.13 2z0r s ALA 24 Ca 0.18 -1.88 0.00 0.00 0.00 0.00 0.00 51.96 50.27 2z0r s ALA 24 Cb -0.12 -2.05 0.00 0.00 0.00 0.00 0.00 23.12 20.95 2z0r s ALA 24 CO -0.07 -1.36 0.00 1.28 0.00 0.00 0.00 175.76 175.61 2z0r n LEU 25 N 4.64 -0.63 0.00 0.00 4.77 -1.26 -3.78 117.00 120.74 2z0r n LEU 25 Ca -0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 2z0r n LEU 25 Cb 0.43 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 2z0r n LEU 25 CO 0.28 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 2z0r n GLY 26 N -1.30 3.00 3.73 -0.72 0.00 -1.26 -4.99 105.19 103.66 2z0r n GLY 26 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.12 4.44 -0.28 1.61 0.41 -1.25 -5.01 118.70 118.51 2z0r s GLU 27 Ca 0.00 0.94 -0.28 0.00 -0.41 0.00 0.00 54.97 55.22 2z0r s GLU 27 Cb 0.00 -3.40 0.01 0.00 -1.78 0.00 0.00 34.13 28.96 2z0r s GLU 27 CO 0.00 0.19 1.02 1.03 -0.49 0.00 0.00 175.26 177.01 2z0r s ARG 28 N 0.33 4.14 0.14 1.61 0.52 -1.26 -2.30 118.95 122.14 2z0r s ARG 28 Ca 0.37 1.13 0.09 0.00 -0.52 0.00 0.00 55.73 56.80 2z0r s ARG 28 Cb -0.19 -3.69 -0.04 0.00 0.52 0.00 0.00 34.95 31.55 2z0r s ARG 28 CO 0.20 -0.75 -0.21 -0.51 0.02 0.00 0.00 175.30 174.06 2z0r s LEU 29 N 3.36 2.37 0.00 2.53 1.43 0.14 -3.35 118.68 125.16 2z0r s LEU 29 Ca 0.43 -0.78 0.03 0.00 -1.03 0.00 0.00 54.13 52.78 2z0r s LEU 29 Cb -0.14 -0.92 -0.01 0.00 0.03 0.00 0.00 46.19 45.15 2z0r s LEU 29 CO 0.11 0.04 0.11 -0.24 0.23 0.00 0.00 176.35 176.60 2z0r n SER 30 N 0.65 0.70 -4.07 2.29 2.88 -1.11 0.48 113.62 115.44 2z0r n SER 30 Ca -0.16 -2.31 -0.11 0.00 -1.33 0.00 0.00 58.87 54.96 2z0r n SER 30 Cb 0.55 0.73 -0.11 0.00 -0.75 0.00 0.00 64.21 64.63 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 -2.48 0.49 0.04 0.46 0.00 -1.26 -4.41 107.32 100.16 2z0r s GLY 31 Ca 0.16 -0.89 0.02 0.00 0.00 0.00 0.00 44.72 44.00 2z0r s GLY 31 CO 0.11 -0.96 -0.07 -0.42 0.00 0.00 0.00 173.10 171.75 2z0r s ILE 32 N -2.13 0.51 0.09 0.90 1.01 -1.26 -4.47 121.20 115.85 2z0r s ILE 32 Ca -0.05 -1.13 0.05 0.00 0.00 0.00 0.00 60.65 59.52 2z0r s ILE 32 Cb -0.05 -0.66 -0.03 0.00 0.01 0.00 0.00 42.46 41.72 2z0r s ILE 32 CO -0.02 -0.44 -0.14 0.26 0.00 0.00 0.00 174.94 174.61 2z0r s TRP 33 N -1.58 1.25 -1.93 3.97 0.51 0.13 0.12 118.94 121.41 2z0r s TRP 33 Ca -0.09 -0.52 0.25 0.00 -2.12 0.00 0.00 56.10 53.63 2z0r s TRP 33 Cb -0.09 -0.69 0.56 0.00 -0.81 0.00 0.00 33.47 32.45 2z0r s TRP 33 CO -0.00 0.08 1.45 0.25 -0.51 0.00 0.00 176.95 178.21 2z0r n THR 34 N 0.95 0.00 -4.01 2.01 -2.24 -1.26 -0.66 114.28 109.07 2z0r n THR 34 Ca -0.19 -0.18 -0.08 0.00 -2.27 0.00 0.00 64.05 61.33 2z0r n THR 34 Cb 0.55 0.67 -0.09 0.00 -2.10 0.00 0.00 70.33 69.36 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 -2.44 0.36 0.07 3.42 1.04 -1.26 -4.86 113.70 110.02 2z0r s SER 35 Ca 0.24 -0.85 -0.16 0.00 0.48 0.00 0.00 55.95 55.66 2z0r s SER 35 Cb 0.19 0.24 -0.18 0.00 0.10 0.00 0.00 66.02 66.37 2z0r s SER 35 CO 0.51 -0.62 1.25 -0.09 0.98 0.00 0.00 173.24 175.27 2z0r h ARG 36 N 3.12 0.64 -1.00 4.02 2.43 -1.96 -2.99 114.38 118.64 2z0r h ARG 36 Ca -0.34 -0.54 0.02 0.00 -0.81 0.00 0.00 59.98 58.31 2z0r h ARG 36 Cb 1.16 0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 30.78 2z0r h ARG 36 CO 0.61 1.16 0.66 1.49 -1.51 0.00 0.00 179.97 182.38 2z0r h GLU 37 N 0.29 1.28 -0.17 0.20 4.81 -1.98 0.24 114.58 119.26 2z0r h GLU 37 Ca -0.05 -0.08 -0.10 0.00 -0.13 0.00 0.00 59.36 59.00 2z0r h GLU 37 Cb 1.30 -0.29 -0.01 0.00 0.63 0.00 0.00 28.75 30.38 2z0r h GLU 37 CO 0.13 0.85 -0.34 1.25 -0.73 0.00 0.00 179.01 180.17 2z0r h LEU 38 N 1.32 0.36 -0.08 1.64 6.46 -1.99 0.29 115.31 123.30 2z0r h LEU 38 Ca 0.38 -0.13 -0.19 0.00 -0.12 0.00 0.00 57.88 57.81 2z0r h LEU 38 Cb -0.10 -0.10 0.01 0.00 -0.73 0.00 0.00 40.66 39.75 2z0r h LEU 38 CO -0.10 0.68 -0.69 0.00 -0.62 0.00 0.00 178.44 177.72 2z0r h ALA 39 N 1.34 0.19 -0.50 1.25 0.00 -1.21 -2.78 119.26 117.55 2z0r h ALA 39 Ca 0.04 -0.58 -0.11 0.00 0.00 0.00 0.00 54.91 54.26 2z0r h ALA 39 Cb 0.75 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 2z0r h ALA 39 CO 0.06 0.51 -0.12 0.93 0.00 0.00 0.00 179.25 180.62 2z0r h GLU 40 N 0.24 0.95 -0.91 0.00 4.39 -0.35 -0.98 114.58 117.92 2z0r h GLU 40 Ca -0.06 -0.35 -0.00 0.00 0.34 0.00 0.00 59.36 59.29 2z0r h GLU 40 Cb 1.34 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 29.89 2z0r h GLU 40 CO 0.14 1.01 0.56 0.00 -1.16 0.00 0.00 179.01 179.56 2z0r h ALA 41 N 1.01 1.16 -0.59 3.43 0.00 -0.47 0.49 119.26 124.29 2z0r h ALA 41 Ca 0.13 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 2z0r h ALA 41 Cb 0.67 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2z0r h ALA 41 CO 0.05 0.60 0.06 0.35 0.00 0.00 0.00 179.25 180.31 2z0r h PHE 42 N 1.25 1.07 -0.59 0.00 3.57 -1.16 -2.89 116.94 118.19 2z0r h PHE 42 Ca 0.33 -0.16 -0.07 0.00 3.53 0.00 0.00 57.97 61.60 2z0r h PHE 42 Cb -0.07 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 38.35 2z0r h PHE 42 CO 0.00 0.94 0.11 1.25 -2.23 0.00 0.00 178.31 178.38 2z0r h LEU 43 N 0.89 0.92 -1.31 0.59 5.85 -0.45 -2.47 115.31 119.33 2z0r h LEU 43 Ca 0.17 -0.25 0.15 0.00 0.84 0.00 0.00 57.88 58.79 2z0r h LEU 43 Cb 0.47 -0.25 -0.07 0.00 0.37 0.00 0.00 40.66 41.19 2z0r h LEU 43 CO 0.02 0.94 0.57 0.00 -0.34 0.00 0.00 178.44 179.63 2z0r h ALA 44 N 1.02 1.87 -0.00 1.25 0.00 0.16 0.25 119.26 123.81 2z0r h ALA 44 Ca 0.18 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2z0r h ALA 44 Cb 0.40 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2z0r h ALA 44 CO 0.01 -0.12 -0.05 0.72 0.00 0.00 0.00 179.25 179.81 2z0r n HIS 45 N -4.56 0.00 -3.66 0.00 8.25 -0.95 -4.42 115.22 109.88 2z0r n HIS 45 Ca 0.17 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.36 2z0r n HIS 45 Cb 0.49 -0.32 -0.11 0.00 1.12 0.00 0.00 29.99 31.17 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 -1.29 1.52 -2.42 4.41 8.25 0.89 -5.10 115.22 121.47 2z0r n HIS 46 Ca 0.12 -3.89 -0.25 0.00 -0.26 0.00 0.00 57.72 53.44 2z0r n HIS 46 Cb 0.28 -0.26 0.11 0.00 1.12 0.00 0.00 29.99 31.24 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 -0.91 1.62 -0.46 -0.41 0.02 -1.25 -4.39 135.00 129.23 2z0r s PRO 47 Ca 0.29 -0.84 0.00 0.00 0.02 0.00 0.00 61.00 60.47 2z0r s PRO 47 Cb 0.01 -2.23 0.00 0.00 0.02 0.00 0.00 34.50 32.29 2z0r s PRO 47 CO -0.17 -1.54 0.00 0.72 -0.33 0.00 0.00 177.00 175.68 2z0r n HIS 48 N -2.98 0.00 0.42 6.54 8.25 -1.26 -4.83 115.22 121.36 2z0r n HIS 48 Ca 0.14 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.64 2z0r n HIS 48 Cb 0.60 -1.40 0.01 0.00 1.12 0.00 0.00 29.99 30.33 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 -0.49 1.42 -2.60 2.41 4.77 -1.26 -5.28 117.00 115.98 2z0r n LEU 49 Ca -0.04 -0.85 -0.06 0.00 -0.03 0.00 0.00 56.01 55.02 2z0r n LEU 49 Cb 0.29 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.38 2z0r n LEU 49 CO 0.07 0.28 0.05 0.61 -1.33 0.00 0.00 177.39 177.07 2z0r n GLY 50 N 0.75 -1.19 0.00 -0.72 0.00 -1.26 -4.96 105.19 97.82 2z0r n GLY 50 Ca 0.05 0.96 0.00 0.00 0.00 0.00 0.00 46.02 47.03 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 -0.41 0.00 -3.14 1.61 1.85 -0.45 -4.42 116.66 111.69 2z0r n ARG 52 Ca 0.09 0.00 -0.40 0.00 -1.00 0.00 0.00 57.85 56.54 2z0r n ARG 52 Cb 0.38 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 31.73 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 5.05 0.07 8.89 1.01 -1.26 -1.31 120.40 130.84 2z0r s VAL 53 Ca 0.00 1.17 0.09 0.00 0.00 0.00 0.00 61.98 63.24 2z0r s VAL 53 Cb 0.00 -3.93 -0.03 0.00 0.00 0.00 0.00 36.38 32.41 2z0r s VAL 53 CO 0.00 0.16 -0.25 -0.44 0.00 0.00 0.00 175.10 174.57 2z0r s SER 54 N 1.08 3.35 -0.12 3.32 0.01 0.16 -4.97 113.70 116.54 2z0r s SER 54 Ca 0.29 -0.59 -0.03 0.00 1.31 0.00 0.00 55.95 56.92 2z0r s SER 54 Cb -0.16 -0.35 -0.03 0.00 0.21 0.00 0.00 66.02 65.69 2z0r s SER 54 CO 0.11 0.24 0.01 0.00 0.41 0.00 0.00 173.24 174.01 2z0r s ALA 55 N -0.90 3.28 -0.35 1.44 0.00 -1.26 -0.92 121.76 123.05 2z0r s ALA 55 Ca 0.13 -0.79 -0.02 0.00 0.00 0.00 0.00 51.96 51.28 2z0r s ALA 55 Cb -0.10 -1.59 0.08 0.00 0.00 0.00 0.00 23.12 21.50 2z0r s ALA 55 CO 0.04 0.45 0.09 -0.51 0.00 0.00 0.00 175.76 175.82 2z0r s LEU 56 N -0.44 4.49 -0.17 0.00 1.43 0.66 -4.97 118.68 119.68 2z0r s LEU 56 Ca 0.08 -1.61 -0.04 0.00 -1.03 0.00 0.00 54.13 51.54 2z0r s LEU 56 Cb -0.12 -1.76 -0.23 0.00 0.03 0.00 0.00 46.19 44.11 2z0r s LEU 56 CO 0.02 -0.38 0.14 -0.62 0.23 0.00 0.00 176.35 175.74 2z0r n GLU 57 N 4.60 0.72 -2.30 1.70 4.71 -1.26 -1.07 120.64 127.74 2z0r n GLU 57 Ca -0.08 0.22 -0.26 0.00 -0.01 0.00 0.00 57.16 57.03 2z0r n GLU 57 Cb 0.43 -1.64 0.05 0.00 -1.01 0.00 0.00 31.44 29.26 2z0r n GLU 57 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 2z0r s SER 58 N -6.85 5.23 0.17 1.62 1.04 -1.26 -4.61 113.70 109.04 2z0r s SER 58 Ca -0.27 0.59 -0.03 0.00 0.48 0.00 0.00 55.95 56.72 2z0r s SER 58 Cb 0.08 -1.42 0.05 0.00 0.10 0.00 0.00 66.02 64.82 2z0r s SER 58 CO 0.70 -1.31 1.44 0.03 0.98 0.00 0.00 173.24 175.08 2z0r h ARG 59 N -0.37 0.47 -0.85 4.02 3.08 -1.93 -2.84 114.38 115.95 2z0r h ARG 59 Ca -0.45 -0.36 0.06 0.00 0.07 0.00 0.00 59.98 59.29 2z0r h ARG 59 Cb 1.28 0.07 -0.06 0.00 0.08 0.00 0.00 29.97 31.34 2z0r h ARG 59 CO 0.60 0.99 0.53 0.00 -1.07 0.00 0.00 179.97 181.03 2z0r h ALA 60 N 0.91 1.16 0.12 0.04 0.00 -1.94 0.19 119.26 119.74 2z0r h ALA 60 Ca -0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2z0r h ALA 60 Cb 1.27 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2z0r h ALA 60 CO 0.12 0.29 -0.06 -0.07 0.00 0.00 0.00 179.25 179.54 2z0r h LEU 61 N 0.98 -0.14 -1.01 0.00 3.38 -1.94 -2.12 115.31 114.47 2z0r h LEU 61 Ca 0.37 -0.35 0.08 0.00 0.09 0.00 0.00 57.88 58.06 2z0r h LEU 61 Cb 0.14 0.03 -0.07 0.00 0.09 0.00 0.00 40.66 40.85 2z0r h LEU 61 CO -0.16 0.31 0.65 0.11 0.09 0.00 0.00 178.44 179.43 2z0r h LYS 62 N -0.62 1.10 0.04 1.13 1.57 -1.29 -0.33 116.57 118.17 2z0r h LYS 62 Ca -0.02 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.70 2z0r h LYS 62 Cb 0.48 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.54 2z0r h LYS 62 CO 0.03 0.73 -0.02 1.49 -0.57 0.00 0.00 179.45 181.10 2z0r h GLU 63 N 1.13 -0.06 -0.46 3.15 4.81 -0.62 0.17 114.58 122.70 2z0r h GLU 63 Ca 0.45 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.73 2z0r h GLU 63 Cb 0.26 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.61 2z0r h GLU 63 CO -0.20 0.06 0.23 0.00 -0.73 0.00 0.00 179.01 178.37 2z0r h ALA 64 N 0.79 0.58 -0.04 2.92 0.00 -0.71 0.99 119.26 123.79 2z0r h ALA 64 Ca -0.01 0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.95 2z0r h ALA 64 Cb 0.14 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2z0r h ALA 64 CO 0.01 -0.13 -0.08 -0.92 0.00 0.00 0.00 179.25 178.13 2z0r h TYR 65 N 0.45 -0.20 -0.38 0.00 3.20 -0.93 -1.52 116.97 117.59 2z0r h TYR 65 Ca 0.20 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.05 2z0r h TYR 65 Cb 0.12 0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.46 2z0r h TYR 65 CO -0.11 -0.13 0.10 -0.07 -1.64 0.00 0.00 178.16 176.32 2z0r h LEU 66 N -0.12 0.50 -1.05 2.82 3.38 -0.49 -2.01 115.31 118.35 2z0r h LEU 66 Ca 0.05 -0.06 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 2z0r h LEU 66 Cb 0.18 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2z0r h LEU 66 CO -0.11 0.50 -0.46 0.03 0.09 0.00 0.00 178.44 178.49 2z0r h ARG 67 N 0.54 0.04 -0.26 1.13 3.08 -0.39 -1.19 114.38 117.34 2z0r h ARG 67 Ca 0.13 -0.02 -0.08 0.00 0.07 0.00 0.00 59.98 60.08 2z0r h ARG 67 Cb 0.19 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 2z0r h ARG 67 CO -0.01 0.49 -0.16 0.00 -1.07 0.00 0.00 179.97 179.23 2z0r h ALA 68 N 1.51 0.36 -0.32 0.04 0.00 -0.61 -3.09 119.26 117.15 2z0r h ALA 68 Ca -0.00 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.58 2z0r h ALA 68 Cb 0.82 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 2z0r h ALA 68 CO 0.06 0.26 0.21 -0.07 0.00 0.00 0.00 179.25 179.71 2z0r h LEU 69 N 0.28 0.35 -1.87 0.00 3.38 -1.12 -2.10 115.31 114.23 2z0r h LEU 69 Ca 0.05 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2z0r h LEU 69 Cb 0.68 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.35 2z0r h LEU 69 CO 0.04 0.25 0.00 0.61 0.09 0.00 0.00 178.44 179.44 2z0r n GLY 70 N -1.18 0.00 0.00 0.83 0.00 -0.47 -1.09 105.19 103.27 2z0r n GLY 70 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 0.86 0.00 -3.53 0.99 4.77 -0.79 -4.23 117.00 115.07 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 0.08 0.00 -2.33 0.00 0.00 43.42 41.17 2z0r n LEU 72 CO 0.00 0.00 0.22 0.00 -1.33 0.00 0.00 177.39 176.28 2z0r n GLN 73 N 0.00 -7.63 -3.46 3.23 1.13 -0.97 -4.97 117.38 104.71 2z0r n GLN 73 Ca 0.00 0.82 -0.43 0.00 -1.94 0.00 0.00 57.00 55.45 2z0r n GLN 73 Cb 0.00 -5.84 -0.10 0.00 0.11 0.00 0.00 30.24 24.41 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 -3.32 5.20 -0.36 5.09 1.01 -0.25 -4.69 120.40 123.08 2z0r s VAL 74 Ca 0.46 -0.71 0.23 0.00 0.00 0.00 0.00 61.98 61.96 2z0r s VAL 74 Cb -0.20 -3.92 0.18 0.00 0.00 0.00 0.00 36.38 32.43 2z0r s VAL 74 CO 0.72 -0.33 1.35 1.05 0.00 0.00 0.00 175.10 177.89 2z0r h GLU 75 N 8.63 0.00 -3.43 2.72 9.09 -1.86 -3.38 114.58 126.35 2z0r h GLU 75 Ca -0.27 0.00 -0.09 0.00 0.05 0.00 0.00 59.36 59.05 2z0r h GLU 75 Cb 1.12 0.00 -0.16 0.00 -1.65 0.00 0.00 28.75 28.06 2z0r h GLU 75 CO 0.74 0.00 -0.28 0.00 0.05 0.00 0.00 179.01 179.52 2z0r s ALA 76 N -3.28 -0.58 0.00 1.06 0.00 -1.25 -0.02 121.76 117.70 2z0r s ALA 76 Ca 0.04 -0.14 0.00 0.00 0.00 0.00 0.00 51.96 51.85 2z0r s ALA 76 Cb 0.07 0.37 0.00 0.00 0.00 0.00 0.00 23.12 23.57 2z0r s ALA 76 CO 0.72 -0.44 0.00 1.33 0.00 0.00 0.00 175.76 177.38 2z0r n VAL 77 N 0.43 0.00 -3.70 0.00 0.24 0.22 -2.76 118.33 112.76 2z0r n VAL 77 Ca -0.18 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.01 2z0r n VAL 77 Cb 0.60 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 32.87 2z0r n VAL 77 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 2z0r s VAL 79 N 2.70 -0.01 -0.99 3.34 1.01 0.27 0.06 120.40 126.77 2z0r s VAL 79 Ca 0.00 0.05 -0.14 0.00 0.00 0.00 0.00 61.98 61.89 2z0r s VAL 79 Cb 0.00 -0.64 0.01 0.00 0.00 0.00 0.00 36.38 35.74 2z0r s VAL 79 CO 0.00 0.02 0.70 0.47 0.00 0.00 0.00 175.10 176.29 2z0r n ASP 80 N 3.76 -5.28 -4.71 3.32 8.00 0.12 -3.40 116.55 118.36 2z0r n ASP 80 Ca -0.20 -0.93 -0.42 0.00 0.71 0.00 0.00 54.79 53.96 2z0r n ASP 80 Cb 0.56 -2.72 -0.03 0.00 -0.02 0.00 0.00 41.12 38.91 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 -3.25 3.57 -0.24 1.24 5.04 -1.26 -4.72 117.35 117.73 2z0r s TYR 81 Ca 0.26 1.53 -0.09 0.00 -2.44 0.00 0.00 57.07 56.33 2z0r s TYR 81 Cb -0.11 -3.25 0.10 0.00 0.35 0.00 0.00 41.96 39.05 2z0r s TYR 81 CO 0.88 -0.56 0.51 0.50 -1.34 0.00 0.00 175.55 175.55 2z0r s ARG 82 N 0.96 0.44 0.00 4.97 3.52 -1.26 -4.89 118.95 122.69 2z0r s ARG 82 Ca 0.55 1.18 0.00 0.00 -0.13 0.00 0.00 55.73 57.33 2z0r s ARG 82 Cb -0.25 0.50 0.00 0.00 -1.56 0.00 0.00 34.95 33.64 2z0r s ARG 82 CO 0.29 -0.22 0.27 -2.30 -0.81 0.00 0.00 175.30 172.53 2z0r n PRO 83 N 5.30 0.00 -2.60 5.12 -0.02 -1.26 -3.34 135.00 138.20 2z0r n PRO 83 Ca -0.11 0.27 -0.42 0.00 -2.02 0.00 0.00 63.50 61.23 2z0r n PRO 83 Cb 0.50 -0.49 -0.03 0.00 -0.02 0.00 0.00 33.50 33.47 2z0r n PRO 83 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2z0r s GLY 84 N -0.26 1.38 0.20 -1.23 0.00 -1.26 -4.90 107.32 101.26 2z0r s GLY 84 Ca 0.00 -2.41 -0.01 0.00 0.00 0.00 0.00 44.72 42.30 2z0r s GLY 84 CO 0.00 2.63 0.29 -0.37 0.00 0.00 0.00 173.10 175.65 2z0r n THR 85 N 6.68 0.00 1.47 0.90 5.66 -1.21 -5.01 114.28 122.77 2z0r n THR 85 Ca 0.35 -1.02 0.01 0.00 -3.05 0.00 0.00 64.05 60.33 2z0r n THR 85 Cb 0.50 0.63 0.02 0.00 -1.55 0.00 0.00 70.33 69.94 2z0r n THR 85 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 2z0r n HIS 86 N -0.33 0.09 -0.80 1.09 8.25 -1.26 -4.89 115.22 117.37 2z0r n HIS 86 Ca 0.00 -0.04 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 2z0r n HIS 86 Cb 0.34 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.40 2z0r n HIS 86 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 2z0r n ARG 87 N -0.20 0.00 -1.37 -0.41 0.63 -1.26 -5.00 116.66 109.04 2z0r n ARG 87 Ca 0.02 0.31 -0.46 0.00 -0.92 0.00 0.00 57.85 56.80 2z0r n ARG 87 Cb 0.15 -0.48 -0.02 0.00 0.45 0.00 0.00 32.46 32.55 2z0r n ARG 87 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2z0r n ALA 88 N 0.71 -2.81 -2.55 5.13 0.00 -1.26 -4.92 120.51 114.81 2z0r n ALA 88 Ca 0.00 0.32 -0.40 0.00 0.00 0.00 0.00 53.44 53.36 2z0r n ALA 88 Cb 0.00 -1.58 -0.05 0.00 0.00 0.00 0.00 19.45 17.82 2z0r n ALA 88 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2z0r s GLN 89 N -1.03 4.46 -0.02 0.00 0.74 -1.22 -4.86 119.66 117.73 2z0r s GLN 89 Ca 0.62 0.98 -0.04 0.00 0.05 0.00 0.00 55.36 56.97 2z0r s GLN 89 Cb -0.82 -3.40 -0.04 0.00 1.10 0.00 0.00 33.01 29.85 2z0r s GLN 89 CO 0.58 0.19 0.20 0.08 -0.55 0.00 0.00 175.29 175.79 2z0r s VAL 90 N 0.33 5.41 -0.02 1.34 1.01 -1.26 0.98 120.40 128.19 2z0r s VAL 90 Ca 0.38 -0.04 0.02 0.00 0.00 0.00 0.00 61.98 62.33 2z0r s VAL 90 Cb -0.19 -3.53 0.01 0.00 0.00 0.00 0.00 36.38 32.67 2z0r s VAL 90 CO 0.21 0.37 -0.05 0.00 0.00 0.00 0.00 175.10 175.62 2z0r s ALA 91 N -1.29 0.56 0.16 5.51 0.00 0.11 -4.93 121.76 121.88 2z0r s ALA 91 Ca 0.26 -0.15 -0.30 0.00 0.00 0.00 0.00 51.96 51.77 2z0r s ALA 91 Cb -0.13 -0.25 -0.08 0.00 0.00 0.00 0.00 23.12 22.66 2z0r s ALA 91 CO 0.16 0.07 1.22 0.50 0.00 0.00 0.00 175.76 177.70 2z0r s ARG 92 N 0.34 4.46 0.09 0.00 3.52 -1.26 0.72 118.95 126.82 2z0r s ARG 92 Ca -0.04 1.88 -0.23 0.00 -0.13 0.00 0.00 55.73 57.21 2z0r s ARG 92 Cb -0.08 -3.26 -0.14 0.00 -1.56 0.00 0.00 34.95 29.91 2z0r s ARG 92 CO -0.00 -0.15 1.72 0.28 -0.81 0.00 0.00 175.30 176.33 2z0r h VAL 93 N 3.93 1.03 -0.83 7.11 2.07 -0.71 -1.51 116.25 127.34 2z0r h VAL 93 Ca -0.44 -0.08 0.17 0.00 0.82 0.00 0.00 66.70 67.17 2z0r h VAL 93 Cb 1.21 1.04 -0.06 0.00 -1.52 0.00 0.00 31.29 31.96 2z0r h VAL 93 CO 0.77 0.03 0.55 0.11 0.02 0.00 0.00 177.57 179.04 2z0r h LYS 94 N 0.01 0.42 -0.02 1.57 1.57 -1.89 0.42 116.57 118.65 2z0r h LYS 94 Ca 0.01 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 2z0r h LYS 94 Cb 0.03 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.24 2z0r h LYS 94 CO -0.00 0.28 -0.07 -0.44 -0.57 0.00 0.00 179.45 178.65 2z0r h ASP 95 N 0.43 0.09 -0.11 0.86 3.32 -1.79 -2.33 116.42 116.89 2z0r h ASP 95 Ca 0.42 -0.64 -0.04 0.00 0.02 0.00 0.00 57.03 56.78 2z0r h ASP 95 Cb 0.97 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.48 2z0r h ASP 95 CO -0.15 0.72 -0.04 -0.07 -1.72 0.00 0.00 179.24 177.98 2z0r h LEU 96 N -0.53 0.33 -0.72 1.55 3.38 -0.52 -1.62 115.31 117.18 2z0r h LEU 96 Ca -0.00 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 2z0r h LEU 96 Cb 0.71 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 2z0r h LEU 96 CO 0.01 0.43 0.13 0.25 0.09 0.00 0.00 178.44 179.35 2z0r h LEU 97 N 0.35 1.06 -0.33 1.67 5.85 -0.17 -1.81 115.31 121.92 2z0r h LEU 97 Ca 0.08 -0.24 -0.19 0.00 0.84 0.00 0.00 57.88 58.36 2z0r h LEU 97 Cb 0.31 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.06 2z0r h LEU 97 CO 0.01 1.04 -0.68 -0.08 -0.34 0.00 0.00 178.44 178.39 2z0r h GLU 98 N 1.04 0.64 -0.42 1.25 4.81 -0.83 -2.44 114.58 118.63 2z0r h GLU 98 Ca 0.21 -0.47 -0.05 0.00 -0.13 0.00 0.00 59.36 58.91 2z0r h GLU 98 Cb 0.42 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 2z0r h GLU 98 CO 0.01 1.10 0.06 0.93 -0.73 0.00 0.00 179.01 180.37 2z0r h GLU 99 N 0.45 0.69 -0.00 1.92 5.08 -1.13 -3.00 114.58 118.60 2z0r h GLU 99 Ca -0.02 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 2z0r h GLU 99 Cb 1.27 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2z0r h GLU 99 CO 0.13 0.74 -0.10 1.55 -1.00 0.00 0.00 179.01 180.33 2z0r n VAL 100 N -4.49 0.00 1.07 3.13 3.14 -0.70 -5.11 118.33 115.37 2z0r n VAL 100 Ca -0.00 -0.04 0.12 0.00 -2.96 0.00 0.00 64.34 61.46 2z0r n VAL 100 Cb 0.24 -0.18 0.16 0.00 -1.06 0.00 0.00 33.84 33.00 2z0r n VAL 100 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23