#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2axx n LYS 2 N 0.00 0.37 0.08 -1.24 5.02 -1.26 -5.04 118.16 116.09 2axx n LYS 2 Ca 0.00 0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 2axx n LYS 2 Cb 0.00 -1.22 0.00 0.00 -0.02 0.00 0.00 35.03 33.79 2axx n LYS 2 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2axx n ASP 3 N -3.29 -0.86 -1.79 4.39 2.03 -1.26 -5.13 116.55 110.63 2axx n ASP 3 Ca -0.30 0.28 0.00 0.00 0.52 0.00 0.00 54.79 55.29 2axx n ASP 3 Cb 0.77 0.99 0.00 0.00 -0.72 0.00 0.00 41.12 42.16 2axx n ASP 3 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 2axx n VAL 4 N -2.89 0.00 -3.58 5.18 0.24 -1.26 -5.05 118.33 110.97 2axx n VAL 4 Ca 0.00 0.00 -0.27 0.00 -2.04 0.00 0.00 64.34 62.03 2axx n VAL 4 Cb 0.00 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 32.27 2axx n VAL 4 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2axx n LYS 5 N 0.00 1.51 -1.96 7.34 5.02 -1.26 -4.86 118.16 123.95 2axx n LYS 5 Ca 0.00 -4.09 -0.43 0.00 -2.02 0.00 0.00 58.31 51.77 2axx n LYS 5 Cb 0.00 -2.01 -0.03 0.00 -0.02 0.00 0.00 35.03 32.97 2axx n LYS 5 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 2axx s TYR 6 N -1.36 1.74 0.04 2.13 2.02 -1.26 -0.96 117.35 119.71 2axx s TYR 6 Ca 0.32 0.60 0.07 0.00 -0.37 0.00 0.00 57.07 57.69 2axx s TYR 6 Cb 0.05 -4.11 -0.03 0.00 -0.40 0.00 0.00 41.96 37.47 2axx s TYR 6 CO -0.13 -3.10 -0.17 0.71 -1.57 0.00 0.00 175.55 171.29 2axx s TYR 7 N 6.97 2.58 0.70 2.71 2.02 -0.02 -4.73 117.35 127.58 2axx s TYR 7 Ca 0.82 -0.24 -0.07 0.00 -0.37 0.00 0.00 57.07 57.21 2axx s TYR 7 Cb -0.24 -1.47 0.06 0.00 -0.40 0.00 0.00 41.96 39.90 2axx s TYR 7 CO 0.34 0.26 1.01 0.95 -1.57 0.00 0.00 175.55 176.54 2axx s THR 8 N -0.93 2.38 0.10 -0.71 -4.23 -1.26 -0.30 115.64 110.69 2axx s THR 8 Ca 0.15 -0.23 -0.26 0.00 -1.18 0.00 0.00 61.69 60.16 2axx s THR 8 Cb -0.11 -3.04 -0.12 0.00 1.34 0.00 0.00 72.50 70.58 2axx s THR 8 CO 0.05 -0.04 1.67 -0.07 -0.54 0.00 0.00 174.62 175.69 2axx h LEU 9 N -0.58 -0.48 -0.78 4.79 -0.00 -1.95 0.27 115.31 116.58 2axx h LEU 9 Ca -0.45 0.05 0.17 0.00 -0.00 0.00 0.00 57.88 57.65 2axx h LEU 9 Cb 1.31 0.17 -0.11 0.00 -0.00 0.00 0.00 40.66 42.03 2axx h LEU 9 CO 0.61 -0.27 0.27 -0.08 -0.00 0.00 0.00 178.44 178.96 2axx h GLU 10 N -0.39 0.35 0.74 1.13 4.57 -2.00 -0.79 114.58 118.18 2axx h GLU 10 Ca 0.00 -0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.12 2axx h GLU 10 Cb 0.37 -0.08 0.01 0.00 -0.16 0.00 0.00 28.75 28.89 2axx h GLU 10 CO -0.05 0.23 -0.35 1.49 -1.18 0.00 0.00 179.01 179.15 2axx h GLU 11 N 0.36 -0.96 -1.96 1.92 4.57 -1.83 -3.21 114.58 113.48 2axx h GLU 11 Ca 0.45 0.07 -0.22 0.00 -1.18 0.00 0.00 59.36 58.47 2axx h GLU 11 Cb 0.75 0.22 -0.08 0.00 -0.16 0.00 0.00 28.75 29.48 2axx h GLU 11 CO -0.48 -0.62 -0.11 -0.89 -1.18 0.00 0.00 179.01 175.73 2axx n ILE 12 N -5.49 2.84 0.03 2.32 5.41 0.04 -3.58 119.36 120.93 2axx n ILE 12 Ca -0.14 -1.58 0.00 0.00 1.00 0.00 0.00 62.75 62.03 2axx n ILE 12 Cb 0.41 -1.77 0.00 0.00 -0.71 0.00 0.00 39.64 37.56 2axx n ILE 12 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 176.55 178.22 2axx n GLN 13 N 1.84 0.00 -0.02 0.38 7.27 -0.82 -4.31 117.38 121.73 2axx n GLN 13 Ca 0.34 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.42 2axx n GLN 13 Cb 0.74 -0.38 0.01 0.00 2.41 0.00 0.00 30.24 33.03 2axx n GLN 13 CO 0.00 0.00 0.00 0.36 0.07 0.00 0.00 177.06 177.49 2axx n LYS 14 N -3.11 1.08 -2.28 3.69 0.00 -1.23 -4.12 118.16 112.18 2axx n LYS 14 Ca 0.00 -0.08 -0.38 0.00 -0.00 0.00 0.00 58.31 57.85 2axx n LYS 14 Cb 0.24 -1.25 0.02 0.00 -0.00 0.00 0.00 35.03 34.04 2axx n LYS 14 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 2axx n HIS 15 N -0.23 3.04 -0.02 5.58 8.25 -1.26 -4.29 115.22 126.29 2axx n HIS 15 Ca 0.01 -2.60 -0.03 0.00 -0.26 0.00 0.00 57.72 54.83 2axx n HIS 15 Cb 0.14 -1.02 -0.01 0.00 1.12 0.00 0.00 29.99 30.21 2axx n HIS 15 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 2axx n LYS 16 N -0.36 0.07 -0.74 -0.41 4.81 -1.21 -1.38 118.16 118.94 2axx n LYS 16 Ca 0.48 0.03 -0.29 0.00 -0.87 0.00 0.00 58.31 57.66 2axx n LYS 16 Cb 0.30 -0.70 0.24 0.00 0.02 0.00 0.00 35.03 34.89 2axx n LYS 16 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 2axx s ASP 17 N -5.11 0.85 -0.91 3.14 -1.08 -1.26 -4.56 116.67 107.73 2axx s ASP 17 Ca -0.05 1.14 -0.27 0.00 -0.52 0.00 0.00 52.55 52.86 2axx s ASP 17 Cb 0.02 -1.74 -0.25 0.00 -1.46 0.00 0.00 42.92 39.49 2axx s ASP 17 CO 0.06 -4.23 2.01 -1.20 0.52 0.00 0.00 175.17 172.33 2axx n SER 18 N -4.90 1.47 0.00 -0.34 7.64 -1.26 -2.91 113.62 113.32 2axx n SER 18 Ca 0.07 -2.52 0.00 0.00 1.01 0.00 0.00 58.87 57.43 2axx n SER 18 Cb 0.57 -1.52 0.00 0.00 -1.01 0.00 0.00 64.21 62.25 2axx n SER 18 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 2axx n LYS 19 N 8.11 0.00 -3.13 1.43 2.85 -1.26 -5.08 118.16 121.07 2axx n LYS 19 Ca 0.43 0.00 0.04 0.00 -1.05 0.00 0.00 58.31 57.72 2axx n LYS 19 Cb 0.46 0.00 -0.00 0.00 -0.65 0.00 0.00 35.03 34.84 2axx n LYS 19 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 2axx s SER 20 N -1.63 -1.23 -0.86 -5.58 0.01 -1.15 -5.04 113.70 98.22 2axx s SER 20 Ca 0.00 -0.01 -0.23 0.00 1.31 0.00 0.00 55.95 57.02 2axx s SER 20 Cb 0.00 1.73 0.06 0.00 0.21 0.00 0.00 66.02 68.02 2axx s SER 20 CO 0.00 -0.21 1.25 -0.89 0.41 0.00 0.00 173.24 173.81 2axx s THR 21 N 2.67 4.08 0.05 1.44 2.01 -1.26 -3.32 115.64 121.31 2axx s THR 21 Ca 0.16 -0.50 0.01 0.00 0.31 0.00 0.00 61.69 61.67 2axx s THR 21 Cb -0.06 -4.90 -0.04 0.00 0.01 0.00 0.00 72.50 67.51 2axx s THR 21 CO -0.22 -1.75 0.14 0.26 -0.69 0.00 0.00 174.62 172.36 2axx s TRP 22 N 4.62 3.37 0.01 4.92 0.52 -0.48 -1.00 118.94 130.91 2axx s TRP 22 Ca 0.36 0.19 0.01 0.00 0.02 0.00 0.00 56.10 56.68 2axx s TRP 22 Cb -0.06 -1.71 -0.01 0.00 -1.15 0.00 0.00 33.47 30.54 2axx s TRP 22 CO 0.01 0.56 -0.03 0.14 0.02 0.00 0.00 176.95 177.65 2axx s VAL 23 N -1.41 0.20 -0.19 4.03 -7.23 -0.60 -0.31 120.40 114.89 2axx s VAL 23 Ca 0.31 -0.47 -0.12 0.00 -1.81 0.00 0.00 61.98 59.89 2axx s VAL 23 Cb -0.13 -0.24 -0.05 0.00 0.56 0.00 0.00 36.38 36.52 2axx s VAL 23 CO 0.23 -0.17 0.22 0.27 -0.31 0.00 0.00 175.10 175.34 2axx s ILE 24 N -0.64 5.34 -0.20 -0.62 -5.25 -1.14 -0.83 121.20 117.86 2axx s ILE 24 Ca -0.06 0.37 -0.03 0.00 -0.99 0.00 0.00 60.65 59.94 2axx s ILE 24 Cb -0.05 -3.56 0.07 0.00 2.95 0.00 0.00 42.46 41.87 2axx s ILE 24 CO -0.00 0.39 0.06 -0.76 -1.79 0.00 0.00 174.94 172.84 2axx s LEU 25 N 0.60 0.99 -1.17 0.37 1.43 -0.00 -1.50 118.68 119.39 2axx s LEU 25 Ca 0.12 -0.85 -0.07 0.00 -1.03 0.00 0.00 54.13 52.31 2axx s LEU 25 Cb -0.12 -0.50 -0.02 0.00 0.03 0.00 0.00 46.19 45.57 2axx s LEU 25 CO 0.02 -0.33 0.83 1.41 0.23 0.00 0.00 176.35 178.51 2axx n HIS 26 N 5.11 -2.13 -3.86 0.29 8.25 -1.26 -2.83 115.22 118.79 2axx n HIS 26 Ca -0.08 0.77 -0.28 0.00 -0.26 0.00 0.00 57.72 57.87 2axx n HIS 26 Cb 0.47 -4.20 0.03 0.00 1.12 0.00 0.00 29.99 27.41 2axx n HIS 26 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2axx n HIS 27 N -3.90 -2.29 -3.79 4.41 8.25 -1.26 -4.99 115.22 111.65 2axx n HIS 27 Ca -0.18 0.91 -0.13 0.00 -0.26 0.00 0.00 57.72 58.06 2axx n HIS 27 Cb 0.64 -4.12 -0.10 0.00 1.12 0.00 0.00 29.99 27.53 2axx n HIS 27 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2axx s LYS 28 N -6.51 0.52 -0.22 -0.41 1.02 -1.13 -4.47 119.74 108.54 2axx s LYS 28 Ca 0.56 -0.05 -0.07 0.00 0.02 0.00 0.00 55.97 56.42 2axx s LYS 28 Cb -0.28 0.23 -0.03 0.00 -0.52 0.00 0.00 37.83 37.23 2axx s LYS 28 CO 0.82 -0.12 0.06 0.08 -0.92 0.00 0.00 175.35 175.27 2axx s VAL 29 N -0.87 4.47 -0.08 3.17 1.01 -0.06 -0.82 120.40 127.21 2axx s VAL 29 Ca -0.10 -0.13 0.04 0.00 0.00 0.00 0.00 61.98 61.79 2axx s VAL 29 Cb -0.05 -3.06 -0.01 0.00 0.00 0.00 0.00 36.38 33.26 2axx s VAL 29 CO 0.02 0.39 -0.19 -0.31 0.00 0.00 0.00 175.10 175.01 2axx s TYR 30 N 1.11 2.61 -0.22 5.22 1.51 -0.01 -0.95 117.35 126.63 2axx s TYR 30 Ca 0.04 -0.64 -0.16 0.00 -1.01 0.00 0.00 57.07 55.31 2axx s TYR 30 Cb -0.14 -1.69 -0.04 0.00 -0.11 0.00 0.00 41.96 39.98 2axx s TYR 30 CO 0.03 -0.16 0.41 0.34 -1.11 0.00 0.00 175.55 175.06 2axx s ASP 31 N -0.06 6.42 -0.14 2.29 -1.08 -0.16 -1.56 116.67 122.37 2axx s ASP 31 Ca -0.05 0.49 0.15 0.00 -0.52 0.00 0.00 52.55 52.62 2axx s ASP 31 Cb -0.14 -2.24 0.34 0.00 -1.46 0.00 0.00 42.92 39.42 2axx s ASP 31 CO 0.04 -0.12 1.17 0.18 0.52 0.00 0.00 175.17 176.97 2axx n LEU 32 N 4.71 2.21 -0.13 -1.34 4.77 -0.17 -4.74 117.00 122.32 2axx n LEU 32 Ca -0.08 -3.21 -0.06 0.00 -0.03 0.00 0.00 56.01 52.64 2axx n LEU 32 Cb 0.51 -0.40 0.12 0.00 -2.33 0.00 0.00 43.42 41.32 2axx n LEU 32 CO 0.40 0.97 0.84 0.74 -1.33 0.00 0.00 177.39 179.01 2axx h THR 33 N 1.62 1.25 -0.52 -5.08 2.02 -1.94 0.58 112.91 110.85 2axx h THR 33 Ca -0.02 -1.09 0.00 0.00 0.77 0.00 0.00 66.41 66.07 2axx h THR 33 Cb 1.11 0.91 0.00 0.00 -1.74 0.00 0.00 68.15 68.44 2axx h THR 33 CO 0.01 0.38 0.00 0.29 0.37 0.00 0.00 175.52 176.57 2axx n LYS 34 N -4.19 3.34 0.00 6.66 5.02 -1.26 -4.10 118.16 123.63 2axx n LYS 34 Ca 0.02 -2.35 0.04 0.00 -2.02 0.00 0.00 58.31 54.00 2axx n LYS 34 Cb 0.33 -1.82 -0.02 0.00 -0.02 0.00 0.00 35.03 33.50 2axx n LYS 34 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2axx n PHE 35 N 0.84 0.00 -0.01 2.13 7.35 0.14 -4.67 117.46 123.25 2axx n PHE 35 Ca 0.21 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.84 2axx n PHE 35 Cb 0.78 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 40.57 2axx n PHE 35 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 2axx h LEU 36 N 0.57 -0.75 -0.28 -2.13 3.38 -1.56 0.21 115.31 114.73 2axx h LEU 36 Ca 0.00 0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 2axx h LEU 36 Cb 0.27 0.30 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 2axx h LEU 36 CO 0.00 -0.21 0.05 -0.33 0.09 0.00 0.00 178.44 178.04 2axx h GLU 37 N -0.25 0.47 -0.83 1.13 4.39 -1.88 -2.58 114.58 115.03 2axx h GLU 37 Ca 0.01 -0.12 0.13 0.00 0.34 0.00 0.00 59.36 59.72 2axx h GLU 37 Cb 0.29 -0.06 -0.09 0.00 -0.10 0.00 0.00 28.75 28.80 2axx h GLU 37 CO -0.19 0.57 0.43 0.93 -1.16 0.00 0.00 179.01 179.59 2axx h GLU 38 N 0.28 0.64 -6.00 2.33 4.39 -1.75 -3.43 114.58 111.04 2axx h GLU 38 Ca 0.09 -0.04 -0.70 0.00 0.34 0.00 0.00 59.36 59.05 2axx h GLU 38 Cb 0.33 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.82 2axx h GLU 38 CO 0.00 0.42 1.36 1.58 -1.16 0.00 0.00 179.01 181.21 2axx n HIS 39 N -4.84 1.54 -2.11 4.33 -0.00 0.70 -4.80 115.22 110.04 2axx n HIS 39 Ca 0.15 0.41 -0.29 0.00 0.46 0.00 0.00 57.72 58.45 2axx n HIS 39 Cb 0.38 -2.47 -0.06 0.00 -0.12 0.00 0.00 29.99 27.72 2axx n HIS 39 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 2axx s PRO 40 N 5.95 2.62 0.00 1.57 0.04 -1.26 -0.57 135.00 143.35 2axx s PRO 40 Ca 1.11 -1.14 0.00 0.00 0.04 0.00 0.00 61.00 61.01 2axx s PRO 40 Cb -1.02 -5.25 0.00 0.00 0.04 0.00 0.00 34.50 28.27 2axx s PRO 40 CO 0.54 -3.78 0.00 0.41 0.04 0.00 0.00 177.00 174.21 2axx n GLY 41 N 5.90 1.29 0.00 0.56 0.00 -1.26 -5.16 105.19 106.51 2axx n GLY 41 Ca 0.44 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.37 2axx n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2axx n GLY 42 N 0.00 3.35 0.14 -0.02 0.00 0.27 -4.89 105.19 104.03 2axx n GLY 42 Ca 0.00 -1.83 -0.23 0.00 0.00 0.00 0.00 46.02 43.96 2axx n GLY 42 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2axx h GLU 43 N 0.00 0.46 0.48 1.61 4.22 -1.73 -3.36 114.58 116.27 2axx h GLU 43 Ca 0.00 -0.79 -0.02 0.00 0.08 0.00 0.00 59.36 58.62 2axx h GLU 43 Cb 0.00 0.30 0.00 0.00 0.50 0.00 0.00 28.75 29.55 2axx h GLU 43 CO 0.00 1.38 -0.24 1.49 -2.18 0.00 0.00 179.01 179.46 2axx h GLU 44 N -0.01 -0.63 -0.90 1.92 4.81 -1.91 0.13 114.58 118.00 2axx h GLU 44 Ca -0.23 0.04 0.17 0.00 -0.13 0.00 0.00 59.36 59.21 2axx h GLU 44 Cb 2.01 0.14 -0.07 0.00 0.63 0.00 0.00 28.75 31.46 2axx h GLU 44 CO 0.23 -0.42 0.58 -0.24 -0.73 0.00 0.00 179.01 178.44 2axx h VAL 45 N -0.65 0.76 0.65 0.32 3.04 -1.90 0.22 116.25 118.68 2axx h VAL 45 Ca -0.06 -0.20 -0.03 0.00 -1.01 0.00 0.00 66.70 65.40 2axx h VAL 45 Cb 0.50 0.13 -0.00 0.00 -2.01 0.00 0.00 31.29 29.91 2axx h VAL 45 CO 0.10 0.11 -0.37 -0.07 -1.01 0.00 0.00 177.57 176.33 2axx h LEU 46 N 0.58 -0.91 -1.30 3.16 3.38 -1.20 -3.11 115.31 115.91 2axx h LEU 46 Ca 0.47 0.05 -0.07 0.00 0.09 0.00 0.00 57.88 58.42 2axx h LEU 46 Cb 0.92 0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 2axx h LEU 46 CO -0.21 -0.59 -0.31 -0.09 0.09 0.00 0.00 178.44 177.33 2axx h ARG 47 N -0.94 0.00 0.33 1.13 2.43 0.15 -0.79 114.38 116.68 2axx h ARG 47 Ca -0.08 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.08 2axx h ARG 47 Cb 0.75 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.29 2axx h ARG 47 CO 0.10 0.31 -0.29 0.93 -1.51 0.00 0.00 179.97 179.52 2axx h GLU 48 N 0.00 -0.61 0.00 0.20 4.39 -0.72 -3.21 114.58 114.64 2axx h GLU 48 Ca -0.00 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.74 2axx h GLU 48 Cb 0.67 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.45 2axx h GLU 48 CO 0.04 -0.41 -0.49 1.96 -1.16 0.00 0.00 179.01 178.95 2axx h GLN 49 N -0.63 0.00 -6.17 2.33 1.08 -1.41 -3.47 115.11 106.84 2axx h GLN 49 Ca -0.02 0.00 -0.63 0.00 -1.45 0.00 0.00 58.65 56.55 2axx h GLN 49 Cb 0.56 0.00 0.14 0.00 -0.05 0.00 0.00 27.48 28.13 2axx h GLN 49 CO -0.03 0.00 -0.52 0.00 -0.95 0.00 0.00 178.83 177.32 2axx n ALA 50 N -2.07 -2.11 -3.43 3.87 0.00 -0.33 -2.49 120.51 113.95 2axx n ALA 50 Ca 0.02 0.24 -0.20 0.00 0.00 0.00 0.00 53.44 53.51 2axx n ALA 50 Cb 0.52 -1.68 0.07 0.00 0.00 0.00 0.00 19.45 18.36 2axx n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2axx n GLY 51 N 1.93 -0.35 3.85 0.00 0.00 0.58 -4.56 105.19 106.64 2axx n GLY 51 Ca 0.13 0.12 -0.02 0.00 0.00 0.00 0.00 46.02 46.25 2axx n GLY 51 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2axx s GLY 52 N -3.48 -0.03 -0.47 -0.02 0.00 -1.04 -4.61 107.32 97.67 2axx s GLY 52 Ca 0.41 -0.10 -0.28 0.00 0.00 0.00 0.00 44.72 44.75 2axx s GLY 52 CO 0.64 2.13 1.68 -0.35 0.00 0.00 0.00 173.10 177.20 2axx s ASP 53 N -3.33 5.83 0.00 1.64 2.15 -1.26 -2.90 116.67 118.80 2axx s ASP 53 Ca 0.20 0.75 0.24 0.00 0.43 0.00 0.00 52.55 54.17 2axx s ASP 53 Cb -0.01 -2.53 0.16 0.00 -0.30 0.00 0.00 42.92 40.24 2axx s ASP 53 CO 0.03 -1.86 1.22 0.00 -0.17 0.00 0.00 175.17 174.39 2axx n ALA 54 N 10.62 2.96 -0.05 3.66 0.00 -0.56 -4.46 120.51 132.68 2axx n ALA 54 Ca 0.19 -0.65 -0.08 0.00 0.00 0.00 0.00 53.44 52.90 2axx n ALA 54 Cb 0.49 -0.83 -0.02 0.00 0.00 0.00 0.00 19.45 19.09 2axx n ALA 54 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2axx h THR 55 N 3.52 0.36 -0.50 0.00 2.02 -1.82 0.49 112.91 116.97 2axx h THR 55 Ca 0.00 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.27 2axx h THR 55 Cb 0.86 0.36 -0.10 0.00 -1.74 0.00 0.00 68.15 67.52 2axx h THR 55 CO 0.00 0.00 -0.32 1.05 0.37 0.00 0.00 175.52 176.62 2axx h GLU 56 N -0.27 -0.18 -0.17 6.66 -0.00 -1.91 0.14 114.58 118.85 2axx h GLU 56 Ca 0.14 0.01 -0.04 0.00 -0.00 0.00 0.00 59.36 59.47 2axx h GLU 56 Cb 0.48 0.04 -0.01 0.00 -0.00 0.00 0.00 28.75 29.27 2axx h GLU 56 CO -0.40 -0.12 -0.04 -0.91 -0.00 0.00 0.00 179.01 177.54 2axx h ASN 57 N -0.19 0.33 -0.80 3.06 2.35 -1.77 0.17 115.58 118.73 2axx h ASN 57 Ca 0.21 -0.36 0.10 0.00 -0.55 0.00 0.00 56.30 55.70 2axx h ASN 57 Cb 0.54 -0.09 -0.07 0.00 0.05 0.00 0.00 38.32 38.74 2axx h ASN 57 CO -0.61 0.61 0.44 0.15 -1.65 0.00 0.00 177.43 176.37 2axx h PHE 58 N 0.04 0.79 0.08 1.19 3.57 -0.32 -1.58 116.94 120.70 2axx h PHE 58 Ca 0.04 0.03 -0.25 0.00 3.53 0.00 0.00 57.97 61.33 2axx h PHE 58 Cb 0.47 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 2axx h PHE 58 CO 0.05 0.30 -1.13 0.93 -2.23 0.00 0.00 178.31 176.23 2axx h GLU 59 N 0.73 0.21 -0.32 1.11 4.39 -0.60 0.33 114.58 120.42 2axx h GLU 59 Ca 0.39 -0.33 0.07 0.00 0.34 0.00 0.00 59.36 59.83 2axx h GLU 59 Cb 0.39 0.12 -0.07 0.00 -0.10 0.00 0.00 28.75 29.09 2axx h GLU 59 CO -0.26 1.13 -0.13 0.22 -1.16 0.00 0.00 179.01 178.81 2axx h ASP 60 N 0.07 -0.44 0.66 1.42 3.58 -0.26 -0.78 116.42 120.67 2axx h ASP 60 Ca -0.09 0.11 -0.11 0.00 0.42 0.00 0.00 57.03 57.36 2axx h ASP 60 Cb 1.85 0.26 -0.02 0.00 1.72 0.00 0.00 39.33 43.14 2axx h ASP 60 CO 0.18 -0.16 -0.53 0.58 -2.88 0.00 0.00 179.24 176.42 2axx h VAL 61 N -0.07 1.28 0.00 2.25 2.07 -1.28 -3.47 116.25 117.03 2axx h VAL 61 Ca 0.16 -1.90 0.00 0.00 0.82 0.00 0.00 66.70 65.79 2axx h VAL 61 Cb 0.31 2.05 0.00 0.00 -1.52 0.00 0.00 31.29 32.14 2axx h VAL 61 CO -0.37 0.52 0.00 0.61 0.02 0.00 0.00 177.57 178.35 2axx n GLY 62 N 0.19 2.13 1.04 2.17 0.00 0.11 -4.92 105.19 105.91 2axx n GLY 62 Ca -0.01 -0.34 0.12 0.00 0.00 0.00 0.00 46.02 45.79 2axx n GLY 62 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2axx n HIS 63 N 0.00 -2.79 -2.77 1.61 8.25 -1.25 -4.68 115.22 113.58 2axx n HIS 63 Ca 0.00 1.54 -0.28 0.00 -0.26 0.00 0.00 57.72 58.72 2axx n HIS 63 Cb 0.00 -2.54 -0.01 0.00 1.12 0.00 0.00 29.99 28.56 2axx n HIS 63 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2axx s SER 64 N -6.22 6.36 0.38 0.41 0.01 -1.26 -4.97 113.70 108.41 2axx s SER 64 Ca 0.00 0.97 0.11 0.00 1.31 0.00 0.00 55.95 58.33 2axx s SER 64 Cb 0.00 -2.26 0.89 0.00 0.21 0.00 0.00 66.02 64.86 2axx s SER 64 CO 0.00 -0.49 1.91 0.74 0.41 0.00 0.00 173.24 175.82 2axx h THR 65 N 0.59 0.87 -0.71 1.44 2.02 -1.99 0.12 112.91 115.26 2axx h THR 65 Ca -0.47 -0.21 0.15 0.00 0.77 0.00 0.00 66.41 66.65 2axx h THR 65 Cb 1.20 0.22 -0.13 0.00 -1.74 0.00 0.00 68.15 67.70 2axx h THR 65 CO 0.63 0.11 -0.07 0.44 0.37 0.00 0.00 175.52 176.99 2axx h ASP 66 N 0.60 -0.47 -0.25 4.18 5.19 -1.99 0.16 116.42 123.84 2axx h ASP 66 Ca 0.38 0.19 -0.02 0.00 -0.62 0.00 0.00 57.03 56.96 2axx h ASP 66 Cb 0.64 0.37 -0.01 0.00 0.18 0.00 0.00 39.33 40.51 2axx h ASP 66 CO -0.14 -0.19 0.06 0.00 -3.12 0.00 0.00 179.24 175.84 2axx h ALA 67 N 1.68 0.32 -0.26 3.45 0.00 -1.16 -0.94 119.26 122.35 2axx h ALA 67 Ca 0.36 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 55.17 2axx h ALA 67 Cb 0.60 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.24 2axx h ALA 67 CO -0.67 -0.02 -0.12 0.00 0.00 0.00 0.00 179.25 178.44 2axx h ARG 68 N 0.22 -0.08 -0.34 0.00 2.47 -0.69 0.19 114.38 116.15 2axx h ARG 68 Ca 0.08 0.01 -0.04 0.00 -1.26 0.00 0.00 59.98 58.77 2axx h ARG 68 Cb 0.28 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.60 2axx h ARG 68 CO 0.00 -0.05 0.07 1.05 0.56 0.00 0.00 179.97 181.60 2axx h GLU 69 N -0.08 0.56 -0.88 0.04 -0.00 -0.71 -2.81 114.58 110.70 2axx h GLU 69 Ca 0.14 -0.14 0.12 0.00 -0.00 0.00 0.00 59.36 59.48 2axx h GLU 69 Cb 0.29 -0.07 -0.07 0.00 -0.00 0.00 0.00 28.75 28.90 2axx h GLU 69 CO -0.32 0.62 0.57 1.25 -0.00 0.00 0.00 179.01 181.13 2axx h LEU 70 N 0.40 0.70 -0.94 3.06 5.85 -0.54 0.33 115.31 124.17 2axx h LEU 70 Ca 0.11 0.03 0.28 0.00 0.84 0.00 0.00 57.88 59.14 2axx h LEU 70 Cb 0.32 -0.11 -0.15 0.00 0.37 0.00 0.00 40.66 41.09 2axx h LEU 70 CO 0.00 0.39 0.32 0.28 -0.34 0.00 0.00 178.44 179.09 2axx h SER 71 N 0.76 0.08 -0.70 1.25 0.02 -0.37 -0.27 113.55 114.33 2axx h SER 71 Ca 0.42 0.22 0.14 0.00 -0.84 0.00 0.00 61.79 61.73 2axx h SER 71 Cb 0.57 0.27 -0.10 0.00 0.14 0.00 0.00 62.40 63.29 2axx h SER 71 CO -0.19 -0.22 0.18 0.11 -1.14 0.00 0.00 176.83 175.57 2axx h LYS 72 N 0.18 0.29 -0.12 3.45 6.56 -1.01 0.24 116.57 126.17 2axx h LYS 72 Ca 0.64 -0.02 0.03 0.00 -1.06 0.00 0.00 60.65 60.25 2axx h LYS 72 Cb 1.41 -0.06 -0.00 0.00 -0.57 0.00 0.00 32.23 33.00 2axx h LYS 72 CO -0.70 0.19 0.14 1.15 -2.06 0.00 0.00 179.45 178.17 2axx h THR 73 N 0.29 0.43 -0.00 -0.16 2.02 -1.19 -0.79 112.91 113.51 2axx h THR 73 Ca 0.38 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.56 2axx h THR 73 Cb 0.62 0.88 0.00 0.00 -1.74 0.00 0.00 68.15 67.91 2axx h THR 73 CO -0.46 0.00 -0.85 -1.22 0.37 0.00 0.00 175.52 173.36 2axx n TYR 74 N -3.73 0.00 -1.93 3.16 4.01 0.72 -4.94 117.16 114.45 2axx n TYR 74 Ca -0.00 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.32 2axx n TYR 74 Cb 0.25 -0.03 -0.03 0.00 -0.31 0.00 0.00 39.34 39.22 2axx n TYR 74 CO 0.00 0.00 0.00 -1.50 -0.46 0.00 0.00 176.86 174.90 2axx s ILE 75 N -2.90 3.27 -0.25 -0.72 2.07 -0.30 -0.98 121.20 121.38 2axx s ILE 75 Ca 0.10 0.52 -0.17 0.00 -1.41 0.00 0.00 60.65 59.69 2axx s ILE 75 Cb 0.17 -3.34 -0.15 0.00 0.13 0.00 0.00 42.46 39.27 2axx s ILE 75 CO 0.80 -0.03 -0.08 2.30 -1.91 0.00 0.00 174.94 176.02 2axx n ILE 76 N 5.14 1.53 0.00 2.00 -5.35 -0.12 -4.90 119.36 117.66 2axx n ILE 76 Ca 0.17 -0.22 0.00 0.00 -0.27 0.00 0.00 62.75 62.43 2axx n ILE 76 Cb 0.42 -1.95 0.00 0.00 -1.74 0.00 0.00 39.64 36.36 2axx n ILE 76 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2axx n GLY 77 N 1.35 1.74 3.73 3.28 0.00 -1.13 -3.98 105.19 110.19 2axx n GLY 77 Ca -0.44 0.18 -0.09 0.00 0.00 0.00 0.00 46.02 45.68 2axx n GLY 77 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2axx s GLU 78 N 4.03 1.82 0.20 1.61 -1.05 -0.13 -0.88 118.70 124.30 2axx s GLU 78 Ca 0.00 -1.23 -0.31 0.00 -0.15 0.00 0.00 54.97 53.28 2axx s GLU 78 Cb 0.00 0.56 -0.10 0.00 -0.44 0.00 0.00 34.13 34.15 2axx s GLU 78 CO 0.00 -0.81 1.46 -0.51 0.95 0.00 0.00 175.26 176.34 2axx s LEU 79 N -3.01 4.38 0.21 1.83 1.43 -1.26 -0.84 118.68 121.41 2axx s LEU 79 Ca 0.17 2.57 -0.30 0.00 -1.03 0.00 0.00 54.13 55.54 2axx s LEU 79 Cb -0.04 -3.61 -0.16 0.00 0.03 0.00 0.00 46.19 42.42 2axx s LEU 79 CO 0.10 -0.71 0.87 1.57 0.23 0.00 0.00 176.35 178.41 2axx n HIS 80 N 3.09 0.58 0.18 0.29 -0.00 0.60 -4.72 115.22 115.24 2axx n HIS 80 Ca 0.09 0.82 0.04 0.00 0.46 0.00 0.00 57.72 59.14 2axx n HIS 80 Cb 0.40 -2.14 0.47 0.00 -0.12 0.00 0.00 29.99 28.61 2axx n HIS 80 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2axx h PRO 81 N 2.03 0.10 -0.09 1.57 0.13 -1.91 -2.44 132.00 131.38 2axx h PRO 81 Ca -0.37 -0.02 0.01 0.00 -0.87 0.00 0.00 66.00 64.75 2axx h PRO 81 Cb 1.38 -0.02 -0.03 0.00 0.13 0.00 0.00 31.00 32.47 2axx h PRO 81 CO 0.62 0.24 -0.20 0.22 -0.23 0.00 0.00 178.00 178.65 2axx h ASP 82 N 0.09 -0.65 -1.03 1.44 1.82 -2.00 -2.44 116.42 113.66 2axx h ASP 82 Ca 0.02 0.08 -0.67 0.00 -0.39 0.00 0.00 57.03 56.07 2axx h ASP 82 Cb 0.30 0.26 -0.13 0.00 0.68 0.00 0.00 39.33 40.45 2axx h ASP 82 CO 0.02 -0.16 1.96 0.47 -1.61 0.00 0.00 179.24 179.92 2axx n ASP 83 N -3.64 7.66 0.00 2.28 8.00 -0.93 -3.82 116.55 126.10 2axx n ASP 83 Ca -0.02 -3.10 0.00 0.00 0.71 0.00 0.00 54.79 52.38 2axx n ASP 83 Cb 0.13 -1.34 0.00 0.00 -0.02 0.00 0.00 41.12 39.89 2axx n ASP 83 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 2axx n ARG 84 N 1.66 2.07 0.09 -1.24 0.63 -0.92 -4.56 116.66 114.39 2axx n ARG 84 Ca 0.60 0.00 -0.03 0.00 -0.92 0.00 0.00 57.85 57.50 2axx n ARG 84 Cb 0.33 -0.99 -0.06 0.00 0.45 0.00 0.00 32.46 32.20 2axx n ARG 84 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 2axx h SER 85 N 0.00 0.00 -2.09 6.15 0.87 -1.70 -3.40 113.55 113.38 2axx h SER 85 Ca 0.00 0.00 -0.57 0.00 -1.23 0.00 0.00 61.79 59.99 2axx h SER 85 Cb 0.97 0.00 -0.39 0.00 -0.44 0.00 0.00 62.40 62.54 2axx h SER 85 CO 0.00 0.77 -1.05 1.17 -0.53 0.00 0.00 176.83 177.19 2axx n LYS 86 N -3.26 0.71 -2.25 2.24 4.81 -1.26 -5.12 118.16 114.03 2axx n LYS 86 Ca -0.00 -3.29 -0.25 0.00 -0.87 0.00 0.00 58.31 53.89 2axx n LYS 86 Cb 0.85 -1.36 0.07 0.00 0.02 0.00 0.00 35.03 34.61 2axx n LYS 86 CO 0.00 0.00 0.00 0.96 1.17 0.00 0.00 177.40 179.53 2axx s ILE 87 N -1.01 2.31 0.18 3.15 -5.25 -1.26 -4.85 121.20 114.47 2axx s ILE 87 Ca 0.35 -0.31 0.00 0.00 -0.99 0.00 0.00 60.65 59.70 2axx s ILE 87 Cb 0.14 -3.00 -0.04 0.00 2.95 0.00 0.00 42.46 42.51 2axx s ILE 87 CO -0.12 0.00 0.06 0.00 -1.79 0.00 0.00 174.94 173.09 2axx s ALA 88 N -3.20 1.22 0.59 2.27 0.00 -1.26 -5.12 121.76 116.26 2axx s ALA 88 Ca 0.60 -1.62 -0.14 0.00 0.00 0.00 0.00 51.96 50.80 2axx s ALA 88 Cb -0.11 0.90 -0.04 0.00 0.00 0.00 0.00 23.12 23.87 2axx s ALA 88 CO 0.44 -0.45 1.03 0.15 0.00 0.00 0.00 175.76 176.93 2axx s LYS 89 N -4.03 3.52 0.84 0.00 1.02 -1.26 -5.03 119.74 114.80 2axx s LYS 89 Ca 0.29 0.99 -0.11 0.00 0.02 0.00 0.00 55.97 57.16 2axx s LYS 89 Cb 0.07 -2.07 0.10 0.00 -0.52 0.00 0.00 37.83 35.41 2axx s LYS 89 CO 0.06 -0.64 1.14 -1.25 -0.92 0.00 0.00 175.35 173.74 2axx s PRO 90 N -4.46 1.61 0.42 -1.68 0.04 -1.26 -5.07 135.00 124.59 2axx s PRO 90 Ca 0.59 1.45 0.04 0.00 0.04 0.00 0.00 61.00 63.12 2axx s PRO 90 Cb -0.13 -1.80 -0.05 0.00 0.04 0.00 0.00 34.50 32.57 2axx s PRO 90 CO 0.42 -2.18 0.04 0.45 0.04 0.00 0.00 177.00 175.77 2axx s SER 91 N -2.82 3.42 0.40 6.66 0.15 -1.26 -5.08 113.70 115.16 2axx s SER 91 Ca 0.66 -1.51 0.00 0.00 0.70 0.00 0.00 55.95 55.80 2axx s SER 91 Cb -0.22 0.12 0.00 0.00 -1.71 0.00 0.00 66.02 64.21 2axx s SER 91 CO 0.55 -0.70 0.00 -0.62 1.20 0.00 0.00 173.24 173.68 2axx n GLU 92 N -0.98 -2.23 -4.16 5.44 -0.58 -1.26 -5.05 120.64 111.82 2axx n GLU 92 Ca -0.09 1.81 -0.15 0.00 -0.42 0.00 0.00 57.16 58.31 2axx n GLU 92 Cb 0.67 -2.50 -0.13 0.00 -0.57 0.00 0.00 31.44 28.90 2axx n GLU 92 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 2axx s THR 93 N -4.05 0.56 0.00 2.62 -4.23 -1.26 -5.21 115.64 104.06 2axx s THR 93 Ca 0.00 -0.66 0.00 0.00 -1.18 0.00 0.00 61.69 59.85 2axx s THR 93 Cb 0.00 -0.54 0.00 0.00 1.34 0.00 0.00 72.50 73.30 2axx s THR 93 CO 0.00 -0.09 0.00 -0.11 -0.54 0.00 0.00 174.62 173.88