#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k0a n GLY 0 N 0.00 0.21 3.85 -0.02 0.00 -1.26 -4.95 105.19 103.01 2k0a n GLY 0 Ca 0.00 -0.97 -0.27 0.00 0.00 0.00 0.00 46.02 44.78 2k0a n GLY 0 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2k0a n SER 1 N 3.21 -3.74 0.00 1.61 7.64 -1.26 -4.78 113.62 116.30 2k0a n SER 1 Ca 0.00 -0.79 0.00 0.00 1.01 0.00 0.00 58.87 59.09 2k0a n SER 1 Cb 0.00 -3.95 0.00 0.00 -1.01 0.00 0.00 64.21 59.25 2k0a n SER 1 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2k0a n SER 2 N -2.91 0.00 -2.58 6.43 3.41 -1.26 -5.01 113.62 111.71 2k0a n SER 2 Ca -0.06 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.28 2k0a n SER 2 Cb 0.57 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.45 2k0a n SER 2 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2k0a n ARG 3 N 0.00 2.69 -2.25 4.33 1.74 -1.26 -3.54 116.66 118.37 2k0a n ARG 3 Ca 0.00 -2.28 -0.02 0.00 -0.77 0.00 0.00 57.85 54.78 2k0a n ARG 3 Cb 0.00 -2.21 0.06 0.00 -1.02 0.00 0.00 32.46 29.29 2k0a n ARG 3 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 2k0a n HIS 4 N 1.35 -0.52 0.09 -1.55 -0.00 -1.26 -4.95 115.22 108.38 2k0a n HIS 4 Ca 0.51 -1.45 -0.14 0.00 0.46 0.00 0.00 57.72 57.10 2k0a n HIS 4 Cb 0.56 0.67 -0.14 0.00 -0.12 0.00 0.00 29.99 30.96 2k0a n HIS 4 CO 0.00 0.00 0.00 0.37 0.46 0.00 0.00 176.34 177.17 2k0a h GLN 5 N 1.25 0.22 0.00 1.57 4.15 -1.99 -3.45 115.11 116.86 2k0a h GLN 5 Ca -0.36 -0.37 0.00 0.00 0.77 0.00 0.00 58.65 58.69 2k0a h GLN 5 Cb 1.39 0.14 0.00 0.00 0.21 0.00 0.00 27.48 29.22 2k0a h GLN 5 CO -0.07 1.17 0.00 0.34 -1.93 0.00 0.00 178.83 178.34 2k0a n PHE 6 N -3.49 0.00 -3.50 3.99 7.35 -1.26 -4.10 117.46 116.45 2k0a n PHE 6 Ca -0.07 0.00 -0.22 0.00 -0.76 0.00 0.00 57.45 56.40 2k0a n PHE 6 Cb 1.01 -0.04 0.07 0.00 0.35 0.00 0.00 39.48 40.87 2k0a n PHE 6 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 2k0a n ASP 7 N 0.28 -6.07 -2.36 -2.13 9.92 -1.26 -4.87 116.55 110.06 2k0a n ASP 7 Ca 0.00 -0.49 -0.12 0.00 -0.53 0.00 0.00 54.79 53.65 2k0a n ASP 7 Cb 0.00 -4.70 -0.10 0.00 -0.64 0.00 0.00 41.12 35.68 2k0a n ASP 7 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2k0a n LEU 8 N -4.65 4.15 -4.55 0.64 -0.00 -1.26 -4.71 117.00 106.62 2k0a n LEU 8 Ca 0.00 -2.56 -0.34 0.00 -0.00 0.00 0.00 56.01 53.12 2k0a n LEU 8 Cb 0.56 -1.04 -0.03 0.00 -0.00 0.00 0.00 43.42 42.90 2k0a n LEU 8 CO 0.60 1.04 1.89 -0.63 -0.00 0.00 0.00 177.39 180.29 2k0a s ILE 9 N 1.89 3.04 0.22 1.47 1.09 -1.26 -4.91 121.20 122.74 2k0a s ILE 9 Ca 0.47 0.01 0.09 0.00 -1.10 0.00 0.00 60.65 60.13 2k0a s ILE 9 Cb 0.20 -3.10 -0.04 0.00 -1.06 0.00 0.00 42.46 38.46 2k0a s ILE 9 CO -0.01 -0.10 -0.07 0.00 -0.10 0.00 0.00 174.94 174.66 2k0a s MET 10 N 8.23 2.12 0.15 2.79 0.23 -1.26 -0.37 119.30 131.20 2k0a s MET 10 Ca 0.94 -1.35 -0.18 0.00 -1.03 0.00 0.00 55.69 54.07 2k0a s MET 10 Cb -0.16 -2.14 0.05 0.00 -1.53 0.00 0.00 34.83 31.06 2k0a s MET 10 CO 0.23 0.40 1.69 0.00 -2.03 0.00 0.00 175.02 175.31 2k0a n LEU 12 N -5.24 -2.49 0.00 0.00 4.32 0.18 -4.85 117.00 108.92 2k0a n LEU 12 Ca 0.01 -0.85 0.00 0.00 -0.02 0.00 0.00 56.01 55.15 2k0a n LEU 12 Cb 0.18 -2.47 0.00 0.00 -1.62 0.00 0.00 43.42 39.51 2k0a n LEU 12 CO 0.19 0.43 0.00 0.29 -1.22 0.00 0.00 177.39 177.08 2k0a n LYS 13 N -4.53 3.13 -2.93 3.23 5.02 -1.26 -4.48 118.16 116.32 2k0a n LYS 13 Ca -0.06 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.81 2k0a n LYS 13 Cb 0.57 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.53 2k0a n LYS 13 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 2k0a s GLN 14 N 2.70 3.58 0.36 1.97 2.00 -1.26 -2.54 119.66 126.47 2k0a s GLN 14 Ca 0.00 0.13 -0.29 0.00 -2.00 0.00 0.00 55.36 53.20 2k0a s GLN 14 Cb 0.00 -3.88 -0.11 0.00 0.80 0.00 0.00 33.01 29.82 2k0a s GLN 14 CO 0.00 -1.02 1.53 -2.14 -0.50 0.00 0.00 175.29 173.16 2k0a s PRO 15 N 3.30 4.10 0.00 1.67 0.02 -1.26 -2.59 135.00 140.23 2k0a s PRO 15 Ca 0.32 2.60 0.00 0.00 0.02 0.00 0.00 61.00 63.94 2k0a s PRO 15 Cb -0.12 -2.98 0.00 0.00 0.02 0.00 0.00 34.50 31.42 2k0a s PRO 15 CO 0.21 -0.58 0.00 0.41 -0.33 0.00 0.00 177.00 176.71 2k0a n GLY 16 N 0.94 1.80 0.09 0.52 0.00 0.72 -4.67 105.19 104.58 2k0a n GLY 16 Ca 0.03 -1.71 -0.08 0.00 0.00 0.00 0.00 46.02 44.26 2k0a n GLY 16 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2k0a n VAL 17 N 0.00 1.31 -2.15 1.61 0.24 -1.26 -4.79 118.33 113.28 2k0a n VAL 17 Ca 0.00 -0.82 -0.42 0.00 -2.04 0.00 0.00 64.34 61.06 2k0a n VAL 17 Cb 0.00 -0.51 -0.03 0.00 -1.47 0.00 0.00 33.84 31.83 2k0a n VAL 17 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 2k0a s GLN 18 N -2.60 4.27 0.24 7.34 -0.21 -1.26 -4.96 119.66 122.48 2k0a s GLN 18 Ca -0.09 2.06 -0.25 0.00 0.02 0.00 0.00 55.36 57.10 2k0a s GLN 18 Cb 0.07 -3.55 -0.09 0.00 1.00 0.00 0.00 33.01 30.44 2k0a s GLN 18 CO 0.83 -0.60 0.85 0.99 -2.12 0.00 0.00 175.29 175.25 2k0a s THR 19 N 2.35 4.30 -0.17 -0.19 2.01 -1.26 -2.05 115.64 120.63 2k0a s THR 19 Ca 0.66 1.73 -0.29 0.00 0.31 0.00 0.00 61.69 64.09 2k0a s THR 19 Cb -0.34 -4.07 -0.02 0.00 0.01 0.00 0.00 72.50 68.08 2k0a s THR 19 CO 0.28 0.32 1.40 -0.83 -0.69 0.00 0.00 174.62 175.10 2k0a s GLY 20 N -1.42 1.52 0.09 4.40 0.00 0.47 -4.77 107.32 107.61 2k0a s GLY 20 Ca 0.43 0.51 -0.13 0.00 0.00 0.00 0.00 44.72 45.53 2k0a s GLY 20 CO 0.25 2.70 0.47 1.08 0.00 0.00 0.00 173.10 177.60 2k0a s LEU 21 N 3.98 4.38 -0.10 0.66 1.43 -1.26 -0.24 118.68 127.54 2k0a s LEU 21 Ca 0.61 0.96 -0.00 0.00 -1.03 0.00 0.00 54.13 54.67 2k0a s LEU 21 Cb -0.24 -3.01 -0.03 0.00 0.03 0.00 0.00 46.19 42.94 2k0a s LEU 21 CO 0.21 0.18 -0.06 -0.76 0.23 0.00 0.00 176.35 176.15 2k0a s LEU 22 N -1.72 3.16 0.56 1.79 1.43 0.25 -1.01 118.68 123.14 2k0a s LEU 22 Ca 0.33 -0.07 -0.18 0.00 -1.03 0.00 0.00 54.13 53.18 2k0a s LEU 22 Cb -0.15 -1.71 -0.05 0.00 0.03 0.00 0.00 46.19 44.31 2k0a s LEU 22 CO 0.18 0.30 1.08 0.00 0.23 0.00 0.00 176.35 178.13 2k0a h GLU 24 N 0.85 0.00 0.00 0.00 5.08 -1.96 0.16 114.58 118.71 2k0a h GLU 24 Ca -0.48 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 57.84 2k0a h GLU 24 Cb 1.23 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 2k0a h GLU 24 CO 0.57 0.00 -0.20 0.87 -1.00 0.00 0.00 179.01 179.25 2k0a h LYS 25 N 0.00 0.00 -0.12 2.33 1.57 -1.97 -2.73 116.57 115.65 2k0a h LYS 25 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 2k0a h LYS 25 Cb 0.75 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.06 2k0a h LYS 25 CO -0.00 0.20 0.00 0.00 -0.57 0.00 0.00 179.45 179.08 2k0a s ASP 27 N -1.80 6.78 0.00 0.00 2.15 -0.28 -2.22 116.67 121.30 2k0a s ASP 27 Ca 0.24 2.37 0.00 0.00 0.43 0.00 0.00 52.55 55.59 2k0a s ASP 27 Cb 0.19 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 40.22 2k0a s ASP 27 CO 0.06 -0.69 0.00 0.61 -0.17 0.00 0.00 175.17 174.98 2k0a n GLY 28 N 3.55 3.39 3.74 2.66 0.00 -1.26 -5.03 105.19 112.23 2k0a n GLY 28 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 2k0a n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k0a s LYS 29 N -0.79 4.46 -0.20 1.61 1.02 -0.94 -4.17 119.74 120.73 2k0a s LYS 29 Ca 0.00 1.93 -0.27 0.00 0.02 0.00 0.00 55.97 57.64 2k0a s LYS 29 Cb 0.00 -3.23 -0.00 0.00 -0.52 0.00 0.00 37.83 34.08 2k0a s LYS 29 CO 0.00 -0.15 0.95 0.00 -0.92 0.00 0.00 175.35 175.24 2k0a h PRO 31 N 7.42 0.39 0.00 0.00 0.11 -1.89 0.62 132.00 138.65 2k0a h PRO 31 Ca -0.24 -0.02 -0.20 0.00 0.11 0.00 0.00 66.00 65.65 2k0a h PRO 31 Cb 1.09 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 2k0a h PRO 31 CO 0.91 0.26 -0.87 0.82 -0.21 0.00 0.00 178.00 178.91 2k0a h ILE 32 N 0.40 1.49 0.00 4.15 1.08 -1.91 -3.43 117.51 119.29 2k0a h ILE 32 Ca 0.38 -2.61 0.00 0.00 -0.39 0.00 0.00 64.86 62.23 2k0a h ILE 32 Cb 0.89 2.46 0.00 0.00 -3.07 0.00 0.00 36.82 37.09 2k0a h ILE 32 CO -0.12 0.76 -0.10 0.00 -0.69 0.00 0.00 178.15 178.00 2k0a n ASP 34 N -1.07 -6.73 -0.84 0.00 2.03 0.21 -4.94 116.55 105.21 2k0a n ASP 34 Ca 0.00 0.91 -0.02 0.00 0.52 0.00 0.00 54.79 56.20 2k0a n ASP 34 Cb 0.05 -4.43 -0.02 0.00 -0.72 0.00 0.00 41.12 36.00 2k0a n ASP 34 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2k0a n SER 35 N 0.27 -0.23 -4.03 1.67 2.88 -1.26 -4.87 113.62 108.05 2k0a n SER 35 Ca 0.03 -1.67 -0.26 0.00 -1.33 0.00 0.00 58.87 55.64 2k0a n SER 35 Cb 0.11 0.04 -0.08 0.00 -0.75 0.00 0.00 64.21 63.53 2k0a n SER 35 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 2k0a n TYR 36 N 0.08 -1.06 -4.44 0.66 4.02 -1.26 -4.93 117.16 110.23 2k0a n TYR 36 Ca -0.10 0.51 -0.25 0.00 -0.01 0.00 0.00 57.90 58.05 2k0a n TYR 36 Cb 0.70 -2.35 -0.09 0.00 -0.02 0.00 0.00 39.34 37.58 2k0a n TYR 36 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 2k0a s VAL 37 N -4.16 2.55 -0.04 -0.72 0.11 -1.26 -5.07 120.40 111.81 2k0a s VAL 37 Ca 0.00 -2.18 -0.40 0.00 -2.93 0.00 0.00 61.98 56.48 2k0a s VAL 37 Cb -0.00 -2.60 -0.19 0.00 -1.53 0.00 0.00 36.38 32.06 2k0a s VAL 37 CO 0.84 -0.28 1.22 -2.11 -3.33 0.00 0.00 175.10 171.44 2k0a n ARG 38 N -0.79 0.34 0.00 1.54 1.85 -1.26 -4.80 116.66 113.54 2k0a n ARG 38 Ca -0.05 0.12 0.00 0.00 -1.00 0.00 0.00 57.85 56.92 2k0a n ARG 38 Cb 0.62 -1.67 0.00 0.00 -1.05 0.00 0.00 32.46 30.36 2k0a n ARG 38 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 2k0a n PRO 39 N 2.20 2.06 0.00 2.89 -0.02 -1.26 -0.50 135.00 140.37 2k0a n PRO 39 Ca 0.21 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 2k0a n PRO 39 Cb 0.10 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.58 2k0a n PRO 39 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2k0a n LYS 40 N 0.00 0.00 -3.73 -0.52 4.81 -0.72 -3.31 118.16 114.69 2k0a n LYS 40 Ca 0.00 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.32 2k0a n LYS 40 Cb 0.00 0.00 -0.11 0.00 0.02 0.00 0.00 35.03 34.94 2k0a n LYS 40 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 2k0a s ARG 41 N -1.90 0.39 0.27 1.64 6.06 -1.23 -4.98 118.95 119.19 2k0a s ARG 41 Ca 0.00 0.59 -0.30 0.00 -2.50 0.00 0.00 55.73 53.52 2k0a s ARG 41 Cb 0.00 0.11 -0.11 0.00 0.06 0.00 0.00 34.95 35.01 2k0a s ARG 41 CO 0.00 -0.09 1.57 0.15 -2.50 0.00 0.00 175.30 174.42 2k0a s LYS 42 N 0.65 4.16 0.16 5.12 1.02 -1.26 -0.32 119.74 129.27 2k0a s LYS 42 Ca -0.04 2.51 -0.30 0.00 0.02 0.00 0.00 55.97 58.16 2k0a s LYS 42 Cb -0.05 -3.05 -0.07 0.00 -0.52 0.00 0.00 37.83 34.13 2k0a s LYS 42 CO -0.04 -0.59 1.16 0.14 -0.92 0.00 0.00 175.35 175.10 2k0a s VAL 43 N 0.12 3.76 -0.22 3.17 -7.23 0.14 -4.83 120.40 115.31 2k0a s VAL 43 Ca 0.63 1.45 -0.06 0.00 -1.81 0.00 0.00 61.98 62.20 2k0a s VAL 43 Cb -0.46 -3.93 -0.02 0.00 0.56 0.00 0.00 36.38 32.52 2k0a s VAL 43 CO 0.45 0.22 0.02 -0.13 -0.31 0.00 0.00 175.10 175.35 2k0a s ARG 44 N -0.05 3.59 0.28 4.82 0.52 -1.26 -0.39 118.95 126.46 2k0a s ARG 44 Ca 0.53 -0.52 -0.24 0.00 -0.52 0.00 0.00 55.73 54.97 2k0a s ARG 44 Cb -0.31 -3.16 -0.09 0.00 0.52 0.00 0.00 34.95 31.91 2k0a s ARG 44 CO 0.35 -0.10 0.87 0.14 0.02 0.00 0.00 175.30 176.58 2k0a s VAL 45 N 1.31 4.31 0.61 3.52 -7.23 -0.87 -4.26 120.40 117.80 2k0a s VAL 45 Ca 0.04 1.68 -0.19 0.00 -1.81 0.00 0.00 61.98 61.70 2k0a s VAL 45 Cb -0.15 -4.00 -0.03 0.00 0.56 0.00 0.00 36.38 32.77 2k0a s VAL 45 CO 0.01 0.21 1.29 0.00 -0.31 0.00 0.00 175.10 176.31 2k0a h GLU 47 N 0.85 0.44 -0.86 0.00 5.08 -1.77 0.15 114.58 118.47 2k0a h GLU 47 Ca -0.51 -0.03 0.15 0.00 -1.00 0.00 0.00 59.36 57.98 2k0a h GLU 47 Cb 1.32 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 30.41 2k0a h GLU 47 CO 0.55 0.29 0.56 -0.91 -1.00 0.00 0.00 179.01 178.49 2k0a h ASN 48 N 0.45 0.57 0.67 1.42 4.21 -1.90 0.20 115.58 121.20 2k0a h ASN 48 Ca 0.37 0.04 -0.27 0.00 1.21 0.00 0.00 56.30 57.65 2k0a h ASN 48 Cb 0.80 -0.08 -0.02 0.00 -1.12 0.00 0.00 38.32 37.90 2k0a h ASN 48 CO -0.12 0.28 -1.36 0.00 -1.29 0.00 0.00 177.43 174.94 2k0a h SER 50 N 0.03 0.10 -0.72 0.00 0.02 0.21 -2.66 113.55 110.53 2k0a h SER 50 Ca -0.16 -0.36 -0.34 0.00 -0.84 0.00 0.00 61.79 60.09 2k0a h SER 50 Cb 1.92 -0.03 -0.20 0.00 0.14 0.00 0.00 62.40 64.23 2k0a h SER 50 CO 0.13 0.43 0.43 2.22 -1.14 0.00 0.00 176.83 178.91 2k0a n PHE 51 N -4.84 2.26 -2.29 3.45 1.16 0.52 -4.27 117.46 113.43 2k0a n PHE 51 Ca -0.07 -1.39 -0.13 0.00 -1.87 0.00 0.00 57.45 53.99 2k0a n PHE 51 Cb 0.21 -0.73 0.04 0.00 -1.61 0.00 0.00 39.48 37.39 2k0a n PHE 51 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2k0a n GLY 52 N -0.58 4.52 4.94 4.97 0.00 -1.00 -4.99 105.19 113.05 2k0a n GLY 52 Ca 0.42 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.49 2k0a n GLY 52 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2k0a n LYS 53 N -0.65 0.00 -1.65 1.61 5.02 -1.26 -4.74 118.16 116.49 2k0a n LYS 53 Ca 0.28 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 56.15 2k0a n LYS 53 Cb 0.90 -0.03 -0.01 0.00 -0.02 0.00 0.00 35.03 35.87 2k0a n LYS 53 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2k0a n GLN 54 N 0.00 2.61 0.00 1.97 3.00 -1.25 -4.35 117.38 119.38 2k0a n GLN 54 Ca 0.00 -2.48 -0.03 0.00 -0.01 0.00 0.00 57.00 54.48 2k0a n GLN 54 Cb 0.00 -3.23 -0.01 0.00 0.00 0.00 0.00 30.24 27.00 2k0a n GLN 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2k0a n ALA 55 N 6.45 2.73 0.05 -1.58 0.00 -1.22 -4.44 120.51 122.50 2k0a n ALA 55 Ca 0.51 -0.14 -0.07 0.00 0.00 0.00 0.00 53.44 53.75 2k0a n ALA 55 Cb 0.39 0.34 -0.12 0.00 0.00 0.00 0.00 19.45 20.07 2k0a n ALA 55 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2k0a h LYS 56 N -0.14 0.00 -7.00 0.00 1.57 -1.91 -3.41 116.57 105.68 2k0a h LYS 56 Ca -0.05 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.19 2k0a h LYS 56 Cb 0.65 0.00 0.10 0.00 0.08 0.00 0.00 32.23 33.07 2k0a h LYS 56 CO -0.03 0.88 0.60 -0.80 -0.57 0.00 0.00 179.45 179.53 2k0a s ASN 57 N -6.58 5.81 0.11 0.86 0.01 -1.26 0.04 114.94 113.93 2k0a s ASN 57 Ca 0.00 2.66 -0.35 0.00 -0.71 0.00 0.00 52.86 54.45 2k0a s ASN 57 Cb 0.10 -2.63 -0.17 0.00 0.41 0.00 0.00 41.25 38.96 2k0a s ASN 57 CO 0.82 -1.19 1.24 0.00 -1.51 0.00 0.00 177.10 176.46 2k0a h ILE 59 N 3.02 1.50 0.05 0.00 3.07 -1.39 -0.81 117.51 122.96 2k0a h ILE 59 Ca -0.46 -2.65 -0.13 0.00 1.55 0.00 0.00 64.86 63.17 2k0a h ILE 59 Cb 1.35 2.44 0.01 0.00 -0.27 0.00 0.00 36.82 40.36 2k0a h ILE 59 CO 0.74 0.75 -0.53 0.40 -1.05 0.00 0.00 178.15 178.45 2k0a h ILE 60 N 0.00 1.52 -0.36 0.16 2.04 -1.86 -0.42 117.51 118.60 2k0a h ILE 60 Ca -0.01 -2.24 0.00 0.00 1.00 0.00 0.00 64.86 63.61 2k0a h ILE 60 Cb 1.38 2.93 0.00 0.00 -0.74 0.00 0.00 36.82 40.40 2k0a h ILE 60 CO 0.10 0.63 0.00 0.00 0.00 0.00 0.00 178.15 178.88 2k0a n ASN 62 N 0.23 -0.36 0.05 0.00 2.04 -0.31 -4.51 115.26 112.41 2k0a n ASN 62 Ca 0.17 -0.15 0.00 0.00 -0.44 0.00 0.00 54.58 54.16 2k0a n ASN 62 Cb 0.66 -0.18 0.00 0.00 -2.53 0.00 0.00 39.78 37.73 2k0a n ASN 62 CO 0.00 0.00 0.00 -0.11 -0.44 0.00 0.00 177.26 176.71 2k0a n LEU 63 N -1.40 -0.83 -4.75 -4.53 -0.00 -1.25 -4.98 117.00 99.25 2k0a n LEU 63 Ca -0.02 0.20 -0.40 0.00 -0.00 0.00 0.00 56.01 55.80 2k0a n LEU 63 Cb 0.07 1.07 -0.05 0.00 -0.00 0.00 0.00 43.42 44.50 2k0a n LEU 63 CO 0.09 -0.36 0.70 0.20 -0.00 0.00 0.00 177.39 178.01 2k0a s ASN 64 N -1.95 7.52 0.36 1.96 0.02 -1.26 -4.75 114.94 116.84 2k0a s ASN 64 Ca 0.00 2.05 -0.28 0.00 -1.02 0.00 0.00 52.86 53.60 2k0a s ASN 64 Cb 0.00 -2.61 -0.11 0.00 0.02 0.00 0.00 41.25 38.55 2k0a s ASN 64 CO 0.00 0.06 1.46 0.54 0.02 0.00 0.00 177.10 179.18 2k0a s VAL 65 N -1.13 2.17 0.26 1.60 0.11 -1.26 0.79 120.40 122.95 2k0a s VAL 65 Ca 0.42 0.17 -0.21 0.00 -2.93 0.00 0.00 61.98 59.44 2k0a s VAL 65 Cb -0.28 -3.11 -0.09 0.00 -1.53 0.00 0.00 36.38 31.37 2k0a s VAL 65 CO 0.35 0.04 0.79 -0.83 -3.33 0.00 0.00 175.10 172.12 2k0a s GLY 66 N -0.15 2.62 -0.12 6.54 0.00 0.11 -4.15 107.32 112.17 2k0a s GLY 66 Ca 0.53 0.25 -0.00 0.00 0.00 0.00 0.00 44.72 45.50 2k0a s GLY 66 CO 0.60 0.61 -0.11 3.33 0.00 0.00 0.00 173.10 177.53 2k0a n VAL 67 N 0.53 0.67 -4.87 1.40 0.24 1.00 -4.72 118.33 112.56 2k0a n VAL 67 Ca -0.00 -0.24 -0.33 0.00 -2.04 0.00 0.00 64.34 61.73 2k0a n VAL 67 Cb 0.51 -1.04 -0.14 0.00 -1.47 0.00 0.00 33.84 31.71 2k0a n VAL 67 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 2k0a s ASN 68 N -5.29 3.94 0.27 -1.34 0.01 -0.82 -4.86 114.94 106.85 2k0a s ASN 68 Ca -0.16 -0.28 -0.30 0.00 -0.71 0.00 0.00 52.86 51.41 2k0a s ASN 68 Cb 0.04 -1.18 -0.11 0.00 0.41 0.00 0.00 41.25 40.42 2k0a s ASN 68 CO 0.26 0.26 1.56 -1.81 -1.51 0.00 0.00 177.10 175.86 2k0a s ASP 69 N -0.22 6.47 0.42 -1.22 1.01 -1.26 0.87 116.67 122.74 2k0a s ASP 69 Ca 0.00 2.84 -0.23 0.00 0.71 0.00 0.00 52.55 55.88 2k0a s ASP 69 Cb -0.13 -2.63 -0.09 0.00 1.01 0.00 0.00 42.92 41.08 2k0a s ASP 69 CO 0.03 -0.85 1.04 0.00 0.21 0.00 0.00 175.17 175.60 2k0a s ALA 70 N 0.13 3.03 -0.06 5.23 0.00 0.67 -4.81 121.76 125.95 2k0a s ALA 70 Ca 0.63 0.66 0.04 0.00 0.00 0.00 0.00 51.96 53.30 2k0a s ALA 70 Cb -0.46 -3.26 -0.02 0.00 0.00 0.00 0.00 23.12 19.38 2k0a s ALA 70 CO 0.45 -0.22 -0.20 -0.06 0.00 0.00 0.00 175.76 175.73 2k0a s PHE 71 N -1.77 2.57 0.10 0.00 0.40 -1.26 0.24 117.98 118.26 2k0a s PHE 71 Ca 0.60 -0.52 -0.31 0.00 -0.60 0.00 0.00 56.93 56.11 2k0a s PHE 71 Cb -0.20 -1.64 -0.08 0.00 0.51 0.00 0.00 43.02 41.61 2k0a s PHE 71 CO 0.25 -0.08 1.46 0.71 0.70 0.00 0.00 175.22 178.26 2k0a s TYR 72 N -0.29 3.04 0.49 0.36 2.02 0.57 -4.65 117.35 118.89 2k0a s TYR 72 Ca 0.01 0.78 -0.21 0.00 -0.37 0.00 0.00 57.07 57.28 2k0a s TYR 72 Cb -0.13 -3.77 -0.07 0.00 -0.40 0.00 0.00 41.96 37.59 2k0a s TYR 72 CO 0.03 -2.80 1.09 0.00 -1.57 0.00 0.00 175.55 172.30 2k0a h TRP 74 N 1.59 1.02 -0.41 0.00 7.01 -0.78 -1.55 115.95 122.82 2k0a h TRP 74 Ca -0.50 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 60.53 2k0a h TRP 74 Cb 1.24 -0.31 -0.02 0.00 -2.10 0.00 0.00 29.16 27.97 2k0a h TRP 74 CO 0.54 0.22 0.23 0.93 -2.79 0.00 0.00 178.44 177.57 2k0a h GLU 75 N 0.72 0.56 -0.43 2.65 5.08 -1.91 0.24 114.58 121.48 2k0a h GLU 75 Ca 0.58 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.80 2k0a h GLU 75 Cb 0.95 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.07 2k0a h GLU 75 CO -0.37 0.44 -0.05 0.00 -1.00 0.00 0.00 179.01 178.03 2k0a h ARG 78 N 0.75 0.34 -0.24 0.00 2.43 -0.22 -2.69 114.38 114.76 2k0a h ARG 78 Ca 0.14 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 59.18 2k0a h ARG 78 Cb 0.53 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 2k0a h ARG 78 CO 0.03 0.37 -0.18 -0.07 -1.51 0.00 0.00 179.97 178.61 2k0a h LEU 79 N 0.23 0.41 -0.39 3.80 3.38 -1.06 -3.47 115.31 118.21 2k0a h LEU 79 Ca 0.08 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2k0a h LEU 79 Cb 0.15 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2k0a h LEU 79 CO -0.01 0.61 0.00 0.61 0.09 0.00 0.00 178.44 179.74 2k0a n GLY 80 N -0.58 0.97 0.09 0.83 0.00 0.54 -5.00 105.19 102.04 2k0a n GLY 80 Ca -0.00 -0.26 -0.10 0.00 0.00 0.00 0.00 46.02 45.66 2k0a n GLY 80 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2k0a n LYS 81 N -0.19 0.65 0.22 1.61 5.02 -0.13 -4.07 118.16 121.26 2k0a n LYS 81 Ca 0.00 0.24 0.07 0.00 -2.02 0.00 0.00 58.31 56.60 2k0a n LYS 81 Cb 0.19 -1.74 0.50 0.00 -0.02 0.00 0.00 35.03 33.96 2k0a n LYS 81 CO 0.00 0.00 0.00 0.38 -0.52 0.00 0.00 177.40 177.26 2k0a h ASP 82 N 0.01 0.00 0.40 4.39 2.03 -1.90 -2.76 116.42 118.59 2k0a h ASP 82 Ca -0.35 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.95 2k0a h ASP 82 Cb 2.05 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.55 2k0a h ASP 82 CO 0.07 0.26 0.00 2.29 -1.03 0.00 0.00 179.24 180.83 2k0a n LYS 83 N -3.88 0.05 0.02 4.15 2.85 -1.26 -3.27 118.16 116.83 2k0a n LYS 83 Ca -0.02 0.24 -0.13 0.00 -1.05 0.00 0.00 58.31 57.36 2k0a n LYS 83 Cb 0.35 -1.50 -0.09 0.00 -0.65 0.00 0.00 35.03 33.13 2k0a n LYS 83 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 2k0a h ASP 84 N 0.00 -0.08 0.00 -5.58 3.32 -1.72 -3.50 116.42 108.86 2k0a h ASP 84 Ca 0.00 -0.40 0.00 0.00 0.02 0.00 0.00 57.03 56.65 2k0a h ASP 84 Cb 0.20 0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.77 2k0a h ASP 84 CO 0.00 0.37 0.00 0.61 -1.72 0.00 0.00 179.24 178.50 2k0a n GLY 85 N 0.11 -0.07 3.61 2.75 0.00 -1.20 -4.69 105.19 105.69 2k0a n GLY 85 Ca -0.08 -0.72 -0.49 0.00 0.00 0.00 0.00 46.02 44.73 2k0a n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k0a n PRO 87 N 7.33 1.88 -2.34 0.00 -0.04 -1.26 0.48 135.00 141.05 2k0a n PRO 87 Ca 0.29 -1.28 -0.43 0.00 -0.04 0.00 0.00 63.50 62.04 2k0a n PRO 87 Cb 0.29 -1.60 -0.02 0.00 -0.04 0.00 0.00 33.50 32.13 2k0a n PRO 87 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2k0a s ARG 88 N -1.50 4.25 -0.23 0.54 0.52 -1.26 -4.76 118.95 116.51 2k0a s ARG 88 Ca 0.24 1.78 -0.29 0.00 -0.52 0.00 0.00 55.73 56.94 2k0a s ARG 88 Cb 0.19 -3.73 -0.01 0.00 0.52 0.00 0.00 34.95 31.92 2k0a s ARG 88 CO 0.05 -0.66 1.34 0.42 0.02 0.00 0.00 175.30 176.47 2k0a s ILE 89 N 3.20 4.11 -0.21 1.52 -1.09 -0.17 -1.01 121.20 127.54 2k0a s ILE 89 Ca 0.59 1.29 0.13 0.00 -2.23 0.00 0.00 60.65 60.43 2k0a s ILE 89 Cb -0.25 -4.01 -0.23 0.00 -1.58 0.00 0.00 42.46 36.39 2k0a s ILE 89 CO 0.20 -0.32 -0.01 0.18 -1.23 0.00 0.00 174.94 173.76 2k0a n LEU 90 N 7.37 0.85 0.10 2.97 4.77 0.51 -4.45 117.00 129.11 2k0a n LEU 90 Ca 0.15 -0.03 0.16 0.00 -0.03 0.00 0.00 56.01 56.26 2k0a n LEU 90 Cb 0.46 0.10 0.68 0.00 -2.33 0.00 0.00 43.42 42.32 2k0a n LEU 90 CO 0.61 0.62 1.14 -0.55 -1.33 0.00 0.00 177.39 177.88 2k0a h ASN 91 N 0.00 0.00 -1.75 -1.43 7.08 -1.73 -3.39 115.58 114.35 2k0a h ASN 91 Ca -0.56 0.00 -0.50 0.00 -3.08 0.00 0.00 56.30 52.16 2k0a h ASN 91 Cb 2.15 0.00 -0.07 0.00 -2.08 0.00 0.00 38.32 38.32 2k0a h ASN 91 CO -0.00 0.00 1.18 -0.22 -2.08 0.00 0.00 177.43 176.31 2k0a s LEU 92 N -8.81 3.27 -0.17 6.14 2.96 -1.26 -4.70 118.68 116.10 2k0a s LEU 92 Ca -0.05 -0.47 -0.04 0.00 -0.22 0.00 0.00 54.13 53.35 2k0a s LEU 92 Cb 0.19 -2.55 -0.23 0.00 0.50 0.00 0.00 46.19 44.10 2k0a s LEU 92 CO 0.70 -2.06 0.14 0.61 -1.32 0.00 0.00 176.35 174.43 2k0a n GLY 93 N 6.00 -0.49 3.63 7.98 0.00 -1.26 -4.90 105.19 116.14 2k0a n GLY 93 Ca 0.19 -0.23 -0.12 0.00 0.00 0.00 0.00 46.02 45.86 2k0a n GLY 93 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2k0a s SER 94 N -6.86 0.56 -0.63 1.61 0.15 -1.26 -5.03 113.70 102.23 2k0a s SER 94 Ca -0.27 -1.36 -0.01 0.00 0.70 0.00 0.00 55.95 55.01 2k0a s SER 94 Cb 0.08 0.75 0.00 0.00 -1.71 0.00 0.00 66.02 65.14 2k0a s SER 94 CO 0.70 -1.48 0.61 0.59 1.20 0.00 0.00 173.24 174.86 2k0a n ASN 95 N -1.45 -7.12 -0.32 5.45 4.13 -1.26 -4.86 115.26 109.82 2k0a n ASN 95 Ca -0.03 -0.03 0.31 0.00 1.68 0.00 0.00 54.58 56.51 2k0a n ASN 95 Cb 0.61 -4.80 0.66 0.00 -1.54 0.00 0.00 39.78 34.71 2k0a n ASN 95 CO 0.00 0.00 0.00 0.08 0.28 0.00 0.00 177.26 177.62 2k0a h ARG 96 N 0.49 0.14 -1.87 3.52 -0.00 -1.91 -3.41 114.38 111.34 2k0a h ARG 96 Ca 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 59.98 59.97 2k0a h ARG 96 Cb 0.99 -0.03 -0.23 0.00 -0.00 0.00 0.00 29.97 30.70 2k0a h ARG 96 CO 0.26 0.09 0.23 -0.48 -0.00 0.00 0.00 179.97 180.07 2k0a s LEU 97 N -8.86 -0.66 0.00 0.08 0.05 -1.26 -5.07 118.68 102.96 2k0a s LEU 97 Ca -0.06 1.26 0.00 0.00 0.05 0.00 0.00 54.13 55.37 2k0a s LEU 97 Cb 0.24 2.27 0.00 0.00 -2.05 0.00 0.00 46.19 46.65 2k0a s LEU 97 CO 0.80 -0.22 0.00 -0.67 -0.55 0.00 0.00 176.35 175.72 2k0a n ASP 98 N 2.59 0.00 -2.70 1.48 -0.08 -1.26 -3.68 116.55 112.89 2k0a n ASP 98 Ca -0.14 0.00 -0.07 0.00 -1.51 0.00 0.00 54.79 53.07 2k0a n ASP 98 Cb 0.55 0.00 0.03 0.00 2.34 0.00 0.00 41.12 44.05 2k0a n ASP 98 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2k0a n ARG 99 N 14.00 1.41 -4.05 -0.67 3.00 -1.26 -4.90 116.66 124.19 2k0a n ARG 99 Ca 0.00 -3.38 -0.18 0.00 -0.01 0.00 0.00 57.85 54.29 2k0a n ARG 99 Cb 0.00 -1.39 -0.16 0.00 0.00 0.00 0.00 32.46 30.91 2k0a n ARG 99 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 2k0a s HIS 100 N -3.34 0.48 -0.17 -1.55 3.76 -1.24 -4.98 115.29 108.25 2k0a s HIS 100 Ca 0.28 -0.08 0.05 0.00 -0.15 0.00 0.00 55.06 55.15 2k0a s HIS 100 Cb 0.42 -0.48 -0.14 0.00 1.11 0.00 0.00 32.58 33.49 2k0a s HIS 100 CO 0.01 -0.13 -0.10 1.97 -0.85 0.00 0.00 174.74 175.64 2k0a n PHE 101 N 3.92 0.00 -3.48 1.40 1.16 -1.26 -4.83 117.46 114.37 2k0a n PHE 101 Ca -0.25 0.00 -0.16 0.00 -1.87 0.00 0.00 57.45 55.18 2k0a n PHE 101 Cb 0.52 -0.71 0.01 0.00 -1.61 0.00 0.00 39.48 37.68 2k0a n PHE 101 CO 0.00 0.00 0.00 -1.91 -1.87 0.00 0.00 176.76 172.98 2k0a n GLU 102 N -2.89 -1.40 -3.78 3.97 2.13 -1.26 -3.24 120.64 114.17 2k0a n GLU 102 Ca -0.30 1.01 -0.23 0.00 0.66 0.00 0.00 57.16 58.30 2k0a n GLU 102 Cb 0.88 -4.01 0.02 0.00 0.27 0.00 0.00 31.44 28.60 2k0a n GLU 102 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2k0a n LYS 103 N -2.54 -4.58 -2.80 5.31 4.76 -1.26 -4.90 118.16 112.16 2k0a n LYS 103 Ca -0.15 0.57 -0.01 0.00 -2.87 0.00 0.00 58.31 55.85 2k0a n LYS 103 Cb 0.60 -5.05 0.07 0.00 -1.84 0.00 0.00 35.03 28.80 2k0a n LYS 103 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2k0a n LYS 104 N -4.33 1.63 0.00 1.97 5.02 -1.20 -5.03 118.16 116.23 2k0a n LYS 104 Ca -0.27 -2.93 0.00 0.00 -2.02 0.00 0.00 58.31 53.08 2k0a n LYS 104 Cb 0.67 -1.10 0.00 0.00 -0.02 0.00 0.00 35.03 34.58 2k0a n LYS 104 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2k0a n LYS 105 N -0.83 0.00 0.00 1.97 4.81 -1.26 -2.24 118.16 120.60 2k0a n LYS 105 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.45 2k0a n LYS 105 Cb 0.82 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.87 2k0a n LYS 105 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 2k0a n LYS 106 N 0.00 0.00 0.00 1.64 3.00 -1.26 -5.03 118.16 116.51 2k0a n LYS 106 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2k0a n LYS 106 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 2k0a n LYS 106 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.40 178.95