#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 0.44 2.70 -0.02 0.00 -1.26 -4.99 105.19 102.05 2k0a n GLY 0 Ca 0.00 -0.44 -0.06 0.00 0.00 0.00 0.00 46.02 45.51 2k0a n GLY 0 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2k0a n SER 1 N -0.78 -0.61 -2.46 1.61 2.88 -1.26 -5.00 113.62 108.00 2k0a n SER 1 Ca -0.03 -2.46 -0.22 0.00 -1.33 0.00 0.00 58.87 54.84 2k0a n SER 1 Cb 0.52 0.41 -0.12 0.00 -0.75 0.00 0.00 64.21 64.27 2k0a n SER 1 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2k0a n SER 2 N -0.58 6.42 -0.07 -3.46 7.64 -1.26 -4.54 113.62 117.77 2k0a n SER 2 Ca -0.01 -2.59 -0.10 0.00 1.01 0.00 0.00 58.87 57.19 2k0a n SER 2 Cb 0.84 -1.44 -0.03 0.00 -1.01 0.00 0.00 64.21 62.57 2k0a n SER 2 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2k0a h ARG 3 N 3.61 0.36 0.00 1.43 2.47 -2.01 -3.32 114.38 116.92 2k0a h ARG 3 Ca 0.42 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 59.09 2k0a h ARG 3 Cb 1.07 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 29.32 2k0a h ARG 3 CO 0.76 0.33 -0.02 0.45 0.56 0.00 0.00 179.97 182.04 2k0a h HIS 4 N 0.29 0.00 0.00 3.04 3.86 -2.06 -3.50 115.15 116.79 2k0a h HIS 4 Ca 0.09 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.30 2k0a h HIS 4 Cb 0.08 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.55 2k0a h HIS 4 CO -0.03 0.00 0.00 0.94 0.86 0.00 0.00 177.93 179.70 2k0a n GLN 5 N -2.41 0.00 -1.04 2.45 -0.06 -1.25 -5.04 117.38 110.03 2k0a n GLN 5 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 2k0a n GLN 5 Cb 0.01 0.00 -0.01 0.00 -4.06 0.00 0.00 30.24 26.19 2k0a n GLN 5 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 2k0a n PHE 6 N 0.00 0.00 -1.43 3.69 7.35 -1.26 -4.86 117.46 120.94 2k0a n PHE 6 Ca 0.00 -0.32 -0.27 0.00 -0.76 0.00 0.00 57.45 56.09 2k0a n PHE 6 Cb 0.00 0.05 -0.02 0.00 0.35 0.00 0.00 39.48 39.86 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 0.22 6.68 -2.61 -2.13 8.00 -1.26 -3.99 116.55 121.46 2k0a n ASP 7 Ca -0.03 -3.30 -0.02 0.00 0.71 0.00 0.00 54.79 52.15 2k0a n ASP 7 Cb 0.87 -1.17 0.11 0.00 -0.02 0.00 0.00 41.12 40.92 2k0a n ASP 7 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2k0a n LEU 8 N 0.50 -1.08 -4.79 0.64 -0.00 -1.26 -5.11 117.00 105.89 2k0a n LEU 8 Ca 0.47 -3.13 -0.35 0.00 -0.00 0.00 0.00 56.01 52.99 2k0a n LEU 8 Cb 0.52 0.13 -0.05 0.00 -0.00 0.00 0.00 43.42 44.02 2k0a n LEU 8 CO 0.39 1.62 0.69 -0.51 -0.00 0.00 0.00 177.39 179.58 2k0a s ILE 9 N -0.33 4.02 -0.06 1.47 -1.16 -1.26 -5.06 121.20 118.82 2k0a s ILE 9 Ca 0.11 1.46 -0.03 0.00 -0.51 0.00 0.00 60.65 61.67 2k0a s ILE 9 Cb 0.41 -3.71 0.03 0.00 0.61 0.00 0.00 42.46 39.81 2k0a s ILE 9 CO -0.11 -0.08 0.14 -0.32 -2.81 0.00 0.00 174.94 171.76 2k0a s MET 10 N -2.67 0.10 0.14 3.50 1.75 -1.26 -4.41 119.30 116.45 2k0a s MET 10 Ca 0.58 0.35 -0.24 0.00 -1.25 0.00 0.00 55.69 55.13 2k0a s MET 10 Cb -0.17 -0.14 -0.00 0.00 2.84 0.00 0.00 34.83 37.36 2k0a s MET 10 CO 0.22 -0.14 1.62 0.00 -0.65 0.00 0.00 175.02 176.07 2k0a n LEU 12 N -5.39 -1.25 -4.92 0.00 4.77 0.92 -4.85 117.00 106.29 2k0a n LEU 12 Ca -0.02 -0.77 -0.28 0.00 -0.03 0.00 0.00 56.01 54.91 2k0a n LEU 12 Cb 0.30 -1.85 0.09 0.00 -2.33 0.00 0.00 43.42 39.63 2k0a n LEU 12 CO 0.16 0.17 0.72 -0.54 -1.33 0.00 0.00 177.39 176.58 2k0a s LYS 13 N -6.59 1.96 -0.07 3.23 1.02 -1.26 -4.38 119.74 113.64 2k0a s LYS 13 Ca 0.61 -0.10 -0.30 0.00 0.02 0.00 0.00 55.97 56.21 2k0a s LYS 13 Cb -0.34 -2.04 -0.05 0.00 -0.52 0.00 0.00 37.83 34.88 2k0a s LYS 13 CO 0.75 -1.51 1.63 -1.14 -0.92 0.00 0.00 175.35 174.16 2k0a s GLN 14 N -5.46 4.16 0.51 1.68 2.00 -1.26 -0.14 119.66 121.14 2k0a s GLN 14 Ca 0.62 2.12 -0.23 0.00 -2.00 0.00 0.00 55.36 55.87 2k0a s GLN 14 Cb -0.10 -3.97 -0.06 0.00 0.80 0.00 0.00 33.01 29.67 2k0a s GLN 14 CO 0.47 -0.87 1.34 -2.14 -0.50 0.00 0.00 175.29 173.60 2k0a s PRO 15 N 4.05 3.38 -0.04 1.67 0.02 -1.26 -3.70 135.00 139.12 2k0a s PRO 15 Ca 0.72 2.20 -0.00 0.00 0.02 0.00 0.00 61.00 63.94 2k0a s PRO 15 Cb -0.32 -2.38 -0.00 0.00 0.02 0.00 0.00 34.50 31.82 2k0a s PRO 15 CO 0.28 -0.98 -0.01 0.78 -0.33 0.00 0.00 177.00 176.74 2k0a h GLY 16 N 1.78 0.00 0.00 0.52 0.00 -0.83 -3.43 103.07 101.11 2k0a h GLY 16 Ca -0.51 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.82 2k0a h GLY 16 CO 0.59 0.00 0.00 1.55 0.00 0.00 0.00 176.54 178.68 2k0a n VAL 17 N -2.99 0.00 -1.95 4.60 3.14 -1.25 -4.96 118.33 114.92 2k0a n VAL 17 Ca -0.00 0.00 -0.42 0.00 -2.96 0.00 0.00 64.34 60.96 2k0a n VAL 17 Cb 0.01 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 32.76 2k0a n VAL 17 CO 0.00 0.00 0.00 -1.10 -6.46 0.00 0.00 176.83 169.27 2k0a s GLN 18 N 0.00 4.23 0.22 1.45 -0.21 -1.26 -4.81 119.66 119.27 2k0a s GLN 18 Ca 0.00 2.36 -0.30 0.00 0.02 0.00 0.00 55.36 57.44 2k0a s GLN 18 Cb 0.00 -3.11 -0.08 0.00 1.00 0.00 0.00 33.01 30.81 2k0a s GLN 18 CO 0.00 -0.51 1.11 0.99 -2.12 0.00 0.00 175.29 174.76 2k0a s THR 19 N 0.40 3.68 0.13 -0.19 2.01 -1.26 -1.60 115.64 118.81 2k0a s THR 19 Ca 0.64 1.53 -0.30 0.00 0.31 0.00 0.00 61.69 63.86 2k0a s THR 19 Cb -0.43 -3.98 -0.07 0.00 0.01 0.00 0.00 72.50 68.04 2k0a s THR 19 CO 0.40 0.30 1.13 -0.83 -0.69 0.00 0.00 174.62 174.92 2k0a s GLY 20 N -0.36 2.71 -0.06 4.40 0.00 -0.84 -4.84 107.32 108.32 2k0a s GLY 20 Ca 0.48 0.81 -0.05 0.00 0.00 0.00 0.00 44.72 45.96 2k0a s GLY 20 CO 0.37 1.79 0.16 1.08 0.00 0.00 0.00 173.10 176.50 2k0a s LEU 21 N 0.20 4.37 -0.07 0.66 1.43 -1.26 -0.58 118.68 123.42 2k0a s LEU 21 Ca 0.53 0.40 0.01 0.00 -1.03 0.00 0.00 54.13 54.04 2k0a s LEU 21 Cb -0.29 -2.36 -0.03 0.00 0.03 0.00 0.00 46.19 43.54 2k0a s LEU 21 CO 0.33 0.33 -0.10 -0.76 0.23 0.00 0.00 176.35 176.38 2k0a s LEU 22 N -1.52 2.99 0.37 1.79 1.43 0.24 -0.52 118.68 123.46 2k0a s LEU 22 Ca 0.22 -0.11 -0.20 0.00 -1.03 0.00 0.00 54.13 53.00 2k0a s LEU 22 Cb -0.12 -1.64 -0.10 0.00 0.03 0.00 0.00 46.19 44.35 2k0a s LEU 22 CO 0.12 0.33 0.88 0.00 0.23 0.00 0.00 176.35 177.91 2k0a h GLU 24 N 2.26 0.00 0.00 0.00 5.08 -1.92 0.57 114.58 120.56 2k0a h GLU 24 Ca -0.48 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 57.82 2k0a h GLU 24 Cb 1.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 2k0a h GLU 24 CO 0.63 0.00 -0.28 0.87 -1.00 0.00 0.00 179.01 179.23 2k0a h LYS 25 N 0.00 0.00 0.00 2.33 1.79 -1.97 -2.76 116.57 115.97 2k0a h LYS 25 Ca 0.20 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.67 2k0a h LYS 25 Cb 0.95 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.60 2k0a h LYS 25 CO -0.00 0.28 -0.99 0.00 -1.08 0.00 0.00 179.45 177.65 2k0a n ASP 27 N -1.55 3.78 0.00 0.00 -0.08 0.17 -0.95 116.55 117.93 2k0a n ASP 27 Ca 0.01 0.60 0.00 0.00 -1.51 0.00 0.00 54.79 53.89 2k0a n ASP 27 Cb 0.29 -1.54 0.00 0.00 2.34 0.00 0.00 41.12 42.21 2k0a n ASP 27 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2k0a n GLY 28 N 5.08 1.40 3.74 0.27 0.00 -1.26 -4.95 105.19 109.48 2k0a n GLY 28 Ca 0.24 -0.33 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 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 0.00 4.68 -0.18 1.61 1.02 -0.12 -4.48 119.74 122.27 2k0a s LYS 29 Ca 0.00 1.61 -0.29 0.00 0.02 0.00 0.00 55.97 57.30 2k0a s LYS 29 Cb 0.00 -3.30 0.00 0.00 -0.52 0.00 0.00 37.83 34.02 2k0a s LYS 29 CO 0.00 0.22 1.03 0.00 -0.92 0.00 0.00 175.35 175.68 2k0a h PRO 31 N 7.32 0.92 -0.07 0.00 0.13 -1.88 0.40 132.00 138.82 2k0a h PRO 31 Ca -0.23 -0.06 -0.01 0.00 -0.87 0.00 0.00 66.00 64.84 2k0a h PRO 31 Cb 1.09 -0.21 -0.00 0.00 0.13 0.00 0.00 31.00 32.01 2k0a h PRO 31 CO 0.93 0.61 0.02 0.82 -0.23 0.00 0.00 178.00 180.16 2k0a h ILE 32 N 0.95 1.16 0.00 -3.56 1.08 -1.92 -3.37 117.51 111.85 2k0a h ILE 32 Ca 0.42 -0.48 0.00 0.00 -0.39 0.00 0.00 64.86 64.42 2k0a h ILE 32 Cb 0.32 1.35 0.00 0.00 -3.07 0.00 0.00 36.82 35.42 2k0a h ILE 32 CO -0.22 0.14 -1.14 0.00 -0.69 0.00 0.00 178.15 176.24 2k0a n ASP 34 N -1.65 -6.99 -3.56 0.00 2.03 0.14 -5.02 116.55 101.50 2k0a n ASP 34 Ca -0.01 0.19 -0.16 0.00 0.52 0.00 0.00 54.79 55.33 2k0a n ASP 34 Cb 0.21 -4.70 -0.06 0.00 -0.72 0.00 0.00 41.12 35.85 2k0a n ASP 34 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2k0a s SER 35 N -2.61 -0.68 -0.17 1.67 0.15 -1.25 -4.90 113.70 105.91 2k0a s SER 35 Ca 0.10 0.98 0.01 0.00 0.70 0.00 0.00 55.95 57.74 2k0a s SER 35 Cb -0.03 0.87 0.23 0.00 -1.71 0.00 0.00 66.02 65.39 2k0a s SER 35 CO 0.64 -0.47 1.39 -1.22 1.20 0.00 0.00 173.24 174.78 2k0a n TYR 36 N 1.56 1.11 -2.55 3.44 4.02 -1.26 -1.65 117.16 121.82 2k0a n TYR 36 Ca -0.17 -1.05 -0.33 0.00 -0.01 0.00 0.00 57.90 56.34 2k0a n TYR 36 Cb 0.56 -0.53 -0.04 0.00 -0.02 0.00 0.00 39.34 39.31 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 -1.23 4.01 -0.09 -0.72 0.11 -1.26 -4.91 120.40 116.31 2k0a s VAL 37 Ca 0.21 1.20 -0.38 0.00 -2.93 0.00 0.00 61.98 60.07 2k0a s VAL 37 Cb 0.17 -3.50 -0.16 0.00 -1.53 0.00 0.00 36.38 31.36 2k0a s VAL 37 CO 0.04 -0.32 1.59 0.54 -3.33 0.00 0.00 175.10 173.61 2k0a n ARG 38 N -1.04 1.29 -2.79 1.54 1.74 -1.26 -4.74 116.66 111.40 2k0a n ARG 38 Ca 0.08 0.47 -0.34 0.00 -0.77 0.00 0.00 57.85 57.30 2k0a n ARG 38 Cb 0.53 -2.16 -0.07 0.00 -1.02 0.00 0.00 32.46 29.75 2k0a n ARG 38 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2k0a s PRO 39 N 2.22 4.24 0.17 5.56 0.04 -1.26 0.60 135.00 146.56 2k0a s PRO 39 Ca 0.91 1.16 0.00 0.00 0.04 0.00 0.00 61.00 63.11 2k0a s PRO 39 Cb -0.97 -2.25 0.00 0.00 0.04 0.00 0.00 34.50 31.32 2k0a s PRO 39 CO 0.55 -0.02 0.00 1.17 0.04 0.00 0.00 177.00 178.74 2k0a n LYS 40 N -0.52 0.00 -4.04 4.56 4.81 0.91 -4.74 118.16 119.14 2k0a n LYS 40 Ca 0.07 0.00 -0.35 0.00 -0.87 0.00 0.00 58.31 57.15 2k0a n LYS 40 Cb 0.53 -0.15 -0.07 0.00 0.02 0.00 0.00 35.03 35.37 2k0a n LYS 40 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 2k0a s ARG 41 N -1.76 3.26 0.27 1.64 0.52 -1.06 -4.89 118.95 116.92 2k0a s ARG 41 Ca 0.00 -0.29 -0.29 0.00 -0.52 0.00 0.00 55.73 54.63 2k0a s ARG 41 Cb 0.00 -3.02 -0.10 0.00 0.52 0.00 0.00 34.95 32.35 2k0a s ARG 41 CO 0.00 0.72 1.28 0.15 0.02 0.00 0.00 175.30 177.47 2k0a s LYS 42 N -1.27 4.41 0.36 3.54 1.02 -1.26 0.72 119.74 127.26 2k0a s LYS 42 Ca 0.18 2.09 -0.25 0.00 0.02 0.00 0.00 55.97 58.01 2k0a s LYS 42 Cb -0.12 -3.14 -0.10 0.00 -0.52 0.00 0.00 37.83 33.95 2k0a s LYS 42 CO 0.08 -0.15 0.97 0.14 -0.92 0.00 0.00 175.35 175.46 2k0a s VAL 43 N -0.60 4.12 -0.10 3.17 -7.23 -0.48 -4.77 120.40 114.49 2k0a s VAL 43 Ca 0.52 1.66 -0.01 0.00 -1.81 0.00 0.00 61.98 62.34 2k0a s VAL 43 Cb -0.37 -3.87 0.03 0.00 0.56 0.00 0.00 36.38 32.72 2k0a s VAL 43 CO 0.45 0.05 -0.05 -0.13 -0.31 0.00 0.00 175.10 175.11 2k0a s ARG 44 N -2.31 1.18 0.41 4.82 0.52 -1.26 -1.99 118.95 120.33 2k0a s ARG 44 Ca 0.54 -0.15 -0.09 0.00 -0.52 0.00 0.00 55.73 55.51 2k0a s ARG 44 Cb -0.18 -1.41 -0.06 0.00 0.52 0.00 0.00 34.95 33.82 2k0a s ARG 44 CO 0.23 -0.30 0.76 0.14 0.02 0.00 0.00 175.30 176.15 2k0a s VAL 45 N 1.80 4.83 0.76 3.52 -7.23 -0.63 -4.10 120.40 119.35 2k0a s VAL 45 Ca 0.05 0.49 -0.11 0.00 -1.81 0.00 0.00 61.98 60.60 2k0a s VAL 45 Cb -0.13 -3.76 0.05 0.00 0.56 0.00 0.00 36.38 33.10 2k0a s VAL 45 CO -0.07 -0.58 1.08 0.00 -0.31 0.00 0.00 175.10 175.22 2k0a h GLU 47 N -1.04 0.88 -0.56 0.00 4.57 -1.84 -0.80 114.58 115.79 2k0a h GLU 47 Ca -0.44 -0.05 0.01 0.00 -1.18 0.00 0.00 59.36 57.69 2k0a h GLU 47 Cb 1.23 -0.20 -0.03 0.00 -0.16 0.00 0.00 28.75 29.59 2k0a h GLU 47 CO 0.53 0.58 0.37 -0.97 -1.18 0.00 0.00 179.01 178.34 2k0a h ASN 48 N 0.91 0.64 -0.92 1.04 -1.24 -1.91 0.20 115.58 114.29 2k0a h ASN 48 Ca 0.52 -0.02 -0.53 0.00 0.71 0.00 0.00 56.30 56.98 2k0a h ASN 48 Cb 0.63 -0.16 -0.28 0.00 0.73 0.00 0.00 38.32 39.24 2k0a h ASN 48 CO -0.29 0.46 0.68 0.00 -1.29 0.00 0.00 177.43 176.99 2k0a n SER 50 N -0.93 0.00 -0.33 0.00 3.41 -0.77 -4.60 113.62 110.40 2k0a n SER 50 Ca 0.56 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 59.28 2k0a n SER 50 Cb 1.28 0.00 0.29 0.00 -0.26 0.00 0.00 64.21 65.52 2k0a n SER 50 CO 0.00 0.00 0.00 2.19 -0.16 0.00 0.00 175.04 177.07 2k0a h PHE 51 N 0.00 0.90 0.00 7.33 -5.15 -0.83 -3.45 116.94 115.75 2k0a h PHE 51 Ca 0.00 0.04 0.00 0.00 -0.20 0.00 0.00 57.97 57.81 2k0a h PHE 51 Cb 0.00 -0.26 0.00 0.00 0.22 0.00 0.00 35.95 35.91 2k0a h PHE 51 CO 0.00 0.17 0.00 0.41 -2.00 0.00 0.00 178.31 176.89 2k0a n GLY 52 N -1.33 1.44 3.27 6.09 0.00 -1.26 -5.02 105.19 108.38 2k0a n GLY 52 Ca 0.21 -0.61 -0.19 0.00 0.00 0.00 0.00 46.02 45.43 2k0a n GLY 52 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2k0a n LYS 53 N -0.28 -2.52 0.00 1.61 2.85 -1.26 -4.60 118.16 113.95 2k0a n LYS 53 Ca 0.00 0.24 0.00 0.00 -1.05 0.00 0.00 58.31 57.50 2k0a n LYS 53 Cb 0.00 -4.84 0.00 0.00 -0.65 0.00 0.00 35.03 29.54 2k0a n LYS 53 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 177.40 178.29 2k0a n GLN 54 N -3.31 0.00 0.00 -1.58 7.27 -1.26 -5.02 117.38 113.48 2k0a n GLN 54 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.08 2k0a n GLN 54 Cb 0.51 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.16 2k0a n GLN 54 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2k0a n ALA 55 N 0.00 1.45 0.15 1.69 0.00 -1.26 -4.35 120.51 118.19 2k0a n ALA 55 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 2k0a n ALA 55 Cb 0.00 0.11 0.22 0.00 0.00 0.00 0.00 19.45 19.78 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 0.00 0.00 -6.96 0.00 1.79 -1.94 -3.44 116.57 106.01 2k0a h LYS 56 Ca 0.00 0.00 -0.52 0.00 -2.18 0.00 0.00 60.65 57.95 2k0a h LYS 56 Cb 0.45 0.00 0.08 0.00 -1.58 0.00 0.00 32.23 31.19 2k0a h LYS 56 CO 0.00 0.55 0.59 0.54 -1.08 0.00 0.00 179.45 180.05 2k0a s ASN 57 N -6.84 6.25 0.16 0.86 2.20 -1.26 -0.81 114.94 115.50 2k0a s ASN 57 Ca -0.02 2.60 -0.34 0.00 -0.94 0.00 0.00 52.86 54.17 2k0a s ASN 57 Cb 0.13 -2.63 -0.14 0.00 -2.00 0.00 0.00 41.25 36.61 2k0a s ASN 57 CO 0.75 -0.89 1.56 0.00 -2.94 0.00 0.00 177.10 175.59 2k0a h ILE 59 N 3.58 0.72 0.19 0.00 3.07 -1.13 0.73 117.51 124.67 2k0a h ILE 59 Ca -0.45 -0.32 -0.25 0.00 1.55 0.00 0.00 64.86 65.39 2k0a h ILE 59 Cb 1.26 1.19 0.03 0.00 -0.27 0.00 0.00 36.82 39.03 2k0a h ILE 59 CO 0.88 0.08 -1.10 0.40 -1.05 0.00 0.00 178.15 177.36 2k0a h ILE 60 N 0.00 1.42 0.00 0.16 2.04 -1.84 -1.97 117.51 117.32 2k0a h ILE 60 Ca -0.00 -2.61 0.00 0.00 1.00 0.00 0.00 64.86 63.25 2k0a h ILE 60 Cb 0.18 3.14 0.00 0.00 -0.74 0.00 0.00 36.82 39.41 2k0a h ILE 60 CO 0.01 0.76 -0.66 0.00 0.00 0.00 0.00 178.15 178.25 2k0a n ASN 62 N -1.35 -4.39 0.08 0.00 3.02 0.25 -4.57 115.26 108.30 2k0a n ASN 62 Ca 0.02 0.17 0.00 0.00 -0.03 0.00 0.00 54.58 54.73 2k0a n ASN 62 Cb 0.19 -3.75 0.00 0.00 -0.61 0.00 0.00 39.78 35.61 2k0a n ASN 62 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 2k0a n LEU 63 N -2.73 0.03 -4.75 3.41 -0.00 -1.26 -4.89 117.00 106.80 2k0a n LEU 63 Ca -0.17 0.25 -0.40 0.00 -0.00 0.00 0.00 56.01 55.69 2k0a n LEU 63 Cb 0.61 0.16 -0.06 0.00 -0.00 0.00 0.00 43.42 44.14 2k0a n LEU 63 CO 0.21 -0.67 0.66 0.20 -0.00 0.00 0.00 177.39 177.79 2k0a s ASN 64 N -4.76 7.62 0.27 1.96 0.01 -1.26 -4.78 114.94 114.00 2k0a s ASN 64 Ca 0.00 1.96 -0.30 0.00 -0.71 0.00 0.00 52.86 53.81 2k0a s ASN 64 Cb 0.00 -2.61 -0.10 0.00 0.41 0.00 0.00 41.25 38.95 2k0a s ASN 64 CO 0.00 0.14 1.48 -0.69 -1.51 0.00 0.00 177.10 176.51 2k0a s VAL 65 N -1.20 2.50 0.31 1.60 1.01 -1.26 0.34 120.40 123.70 2k0a s VAL 65 Ca 0.42 0.42 -0.28 0.00 0.00 0.00 0.00 61.98 62.54 2k0a s VAL 65 Cb -0.26 -3.27 -0.09 0.00 0.00 0.00 0.00 36.38 32.76 2k0a s VAL 65 CO 0.32 0.07 1.06 -0.83 0.00 0.00 0.00 175.10 175.72 2k0a s GLY 66 N 0.36 2.98 -0.06 4.51 0.00 0.01 -4.15 107.32 110.97 2k0a s GLY 66 Ca 0.60 0.79 -0.00 0.00 0.00 0.00 0.00 44.72 46.11 2k0a s GLY 66 CO 0.45 1.34 -0.06 3.33 0.00 0.00 0.00 173.10 178.16 2k0a n VAL 67 N 0.88 0.33 -4.86 1.40 0.24 0.12 -4.74 118.33 111.69 2k0a n VAL 67 Ca 0.00 -0.11 -0.32 0.00 -2.04 0.00 0.00 64.34 61.87 2k0a n VAL 67 Cb 0.47 -0.92 -0.13 0.00 -1.47 0.00 0.00 33.84 31.78 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 -4.80 3.89 0.30 -1.34 0.01 -0.86 -4.86 114.94 107.27 2k0a s ASN 68 Ca -0.08 -0.28 -0.29 0.00 -0.71 0.00 0.00 52.86 51.49 2k0a s ASN 68 Cb 0.02 -0.74 -0.11 0.00 0.41 0.00 0.00 41.25 40.84 2k0a s ASN 68 CO 0.12 0.32 1.52 -1.81 -1.51 0.00 0.00 177.10 175.74 2k0a s ASP 69 N -0.94 6.45 0.64 -1.22 1.01 -1.26 0.80 116.67 122.14 2k0a s ASP 69 Ca 0.12 2.90 -0.11 0.00 0.71 0.00 0.00 52.55 56.17 2k0a s ASP 69 Cb -0.11 -2.64 -0.03 0.00 1.01 0.00 0.00 42.92 41.15 2k0a s ASP 69 CO 0.02 -0.84 1.04 0.00 0.21 0.00 0.00 175.17 175.60 2k0a s ALA 70 N -0.30 3.02 -0.03 5.23 0.00 0.25 -4.79 121.76 125.14 2k0a s ALA 70 Ca 0.59 -0.06 0.02 0.00 0.00 0.00 0.00 51.96 52.52 2k0a s ALA 70 Cb -0.46 -3.10 0.01 0.00 0.00 0.00 0.00 23.12 19.57 2k0a s ALA 70 CO 0.50 -0.80 -0.09 -0.06 0.00 0.00 0.00 175.76 175.32 2k0a s PHE 71 N -3.16 0.97 0.08 0.00 0.40 -1.26 -1.39 117.98 113.62 2k0a s PHE 71 Ca 0.56 -0.26 -0.31 0.00 -0.60 0.00 0.00 56.93 56.32 2k0a s PHE 71 Cb -0.12 -0.71 -0.07 0.00 0.51 0.00 0.00 43.02 42.63 2k0a s PHE 71 CO 0.54 -0.13 1.44 0.71 0.70 0.00 0.00 175.22 178.49 2k0a s TYR 72 N 0.32 2.99 0.88 0.36 2.02 0.22 -4.60 117.35 119.54 2k0a s TYR 72 Ca -0.05 0.80 -0.11 0.00 -0.37 0.00 0.00 57.07 57.34 2k0a s TYR 72 Cb -0.10 -3.73 0.12 0.00 -0.40 0.00 0.00 41.96 37.85 2k0a s TYR 72 CO 0.01 -2.68 1.09 0.00 -1.57 0.00 0.00 175.55 172.40 2k0a h TRP 74 N -1.54 0.32 -0.17 0.00 7.01 -0.13 0.63 115.95 122.07 2k0a h TRP 74 Ca -0.48 0.04 0.00 0.00 2.11 0.00 0.00 58.89 60.56 2k0a h TRP 74 Cb 1.27 -0.04 -0.01 0.00 -2.10 0.00 0.00 29.16 28.28 2k0a h TRP 74 CO 0.47 0.01 0.11 0.93 -2.79 0.00 0.00 178.44 177.17 2k0a h GLU 75 N 0.33 0.23 -0.52 2.65 4.39 -1.92 0.86 114.58 120.61 2k0a h GLU 75 Ca 0.35 -0.02 -0.08 0.00 0.34 0.00 0.00 59.36 59.95 2k0a h GLU 75 Cb 0.52 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.09 2k0a h GLU 75 CO -0.40 0.17 -0.00 0.00 -1.16 0.00 0.00 179.01 177.62 2k0a h ARG 78 N 0.71 0.78 -0.34 0.00 2.43 -0.53 -2.80 114.38 114.64 2k0a h ARG 78 Ca 0.18 -0.24 -0.05 0.00 -0.81 0.00 0.00 59.98 59.05 2k0a h ARG 78 Cb 0.19 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 2k0a h ARG 78 CO -0.01 0.84 0.00 -0.07 -1.51 0.00 0.00 179.97 179.22 2k0a h LEU 79 N 0.63 0.49 -0.01 3.80 3.38 -0.53 -3.47 115.31 119.60 2k0a h LEU 79 Ca 0.13 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2k0a h LEU 79 Cb 0.48 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.10 2k0a h LEU 79 CO 0.02 0.56 0.00 0.61 0.09 0.00 0.00 178.44 179.72 2k0a n GLY 80 N -0.88 1.14 0.14 0.83 0.00 0.68 -4.96 105.19 102.13 2k0a n GLY 80 Ca 0.01 -0.47 0.07 0.00 0.00 0.00 0.00 46.02 45.64 2k0a n GLY 80 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k0a h LYS 81 N 0.00 0.00 -0.46 1.61 1.57 -1.55 -3.19 116.57 114.55 2k0a h LYS 81 Ca 0.00 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 2k0a h LYS 81 Cb 0.53 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.82 2k0a h LYS 81 CO 0.00 0.17 -0.01 0.38 -0.57 0.00 0.00 179.45 179.42 2k0a h ASP 82 N 0.00 0.81 1.27 0.86 2.03 -1.88 -2.66 116.42 116.84 2k0a h ASP 82 Ca -0.04 -0.31 0.00 0.00 -0.73 0.00 0.00 57.03 55.95 2k0a h ASP 82 Cb 1.22 -0.22 0.00 0.00 -0.83 0.00 0.00 39.33 39.50 2k0a h ASP 82 CO 0.02 0.92 0.00 0.07 -1.03 0.00 0.00 179.24 179.23 2k0a h LYS 83 N 0.67 0.00 0.03 4.15 2.10 -1.89 -3.24 116.57 118.39 2k0a h LYS 83 Ca 0.13 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.78 2k0a h LYS 83 Cb 0.52 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.85 2k0a h LYS 83 CO 0.03 0.00 -0.01 0.22 -2.00 0.00 0.00 179.45 177.68 2k0a h ASP 84 N 0.00 -0.03 0.00 7.07 3.58 -1.46 -3.49 116.42 122.09 2k0a h ASP 84 Ca 0.00 -0.23 0.00 0.00 0.42 0.00 0.00 57.03 57.22 2k0a h ASP 84 Cb 0.63 0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.69 2k0a h ASP 84 CO 0.00 0.21 0.00 0.61 -2.88 0.00 0.00 179.24 177.18 2k0a n GLY 85 N -0.46 -0.63 3.66 -0.78 0.00 -1.22 -4.66 105.19 101.09 2k0a n GLY 85 Ca -0.08 -0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.23 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 7.50 2.40 -3.67 0.00 -0.04 -1.26 -0.06 135.00 139.87 2k0a n PRO 87 Ca 0.20 -1.68 -0.36 0.00 -0.04 0.00 0.00 63.50 61.62 2k0a n PRO 87 Cb 0.42 -2.14 -0.09 0.00 -0.04 0.00 0.00 33.50 31.65 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 0.05 4.13 -0.96 0.54 1.81 -1.26 -4.69 118.95 118.57 2k0a s ARG 88 Ca 0.64 -0.21 -0.17 0.00 -1.72 0.00 0.00 55.73 54.26 2k0a s ARG 88 Cb 0.32 -3.49 0.15 0.00 -0.45 0.00 0.00 34.95 31.49 2k0a s ARG 88 CO -0.09 0.16 1.13 0.42 -0.68 0.00 0.00 175.30 176.25 2k0a s ILE 89 N 0.76 4.90 0.36 1.52 -1.09 -0.74 -0.58 121.20 126.33 2k0a s ILE 89 Ca 0.09 -1.86 0.20 0.00 -2.23 0.00 0.00 60.65 56.84 2k0a s ILE 89 Cb -0.13 -4.76 0.19 0.00 -1.58 0.00 0.00 42.46 36.19 2k0a s ILE 89 CO 0.02 -1.46 1.93 -0.07 -1.23 0.00 0.00 174.94 174.13 2k0a h LEU 90 N 9.94 0.00 -9.06 2.97 3.38 -1.84 -3.43 115.31 117.27 2k0a h LEU 90 Ca 0.17 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 57.50 2k0a h LEU 90 Cb 1.00 0.00 0.13 0.00 0.09 0.00 0.00 40.66 41.88 2k0a h LEU 90 CO 1.08 0.24 -0.62 -3.20 0.09 0.00 0.00 178.44 176.03 2k0a n ASN 91 N -3.84 -1.63 -4.72 -0.43 2.85 -1.26 -4.84 115.26 101.38 2k0a n ASN 91 Ca -0.02 1.00 -0.42 0.00 -0.11 0.00 0.00 54.58 55.03 2k0a n ASN 91 Cb 0.33 -0.96 -0.03 0.00 1.24 0.00 0.00 39.78 40.36 2k0a n ASN 91 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 2k0a s LEU 92 N 3.19 4.37 -0.95 1.20 2.96 -1.26 -4.88 118.68 123.31 2k0a s LEU 92 Ca 0.62 2.70 -0.08 0.00 -0.22 0.00 0.00 54.13 57.15 2k0a s LEU 92 Cb -0.78 -3.60 -0.14 0.00 0.50 0.00 0.00 46.19 42.16 2k0a s LEU 92 CO 0.59 -0.85 3.19 0.61 -1.32 0.00 0.00 176.35 178.57 2k0a n GLY 93 N 3.53 3.82 0.23 7.98 0.00 -1.26 -4.56 105.19 114.93 2k0a n GLY 93 Ca 0.13 -1.43 0.01 0.00 0.00 0.00 0.00 46.02 44.74 2k0a n GLY 93 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2k0a h SER 94 N 4.15 0.23 -4.92 1.61 0.87 -1.97 -3.47 113.55 110.04 2k0a h SER 94 Ca 0.59 -0.06 -0.27 0.00 -1.23 0.00 0.00 61.79 60.82 2k0a h SER 94 Cb 0.77 -0.06 0.13 0.00 -0.44 0.00 0.00 62.40 62.80 2k0a h SER 94 CO 1.15 0.45 -0.61 -3.20 -0.53 0.00 0.00 176.83 174.08 2k0a n ASN 95 N -4.21 -2.34 -0.82 6.23 4.05 -1.26 -4.95 115.26 111.96 2k0a n ASN 95 Ca -0.01 -0.49 0.05 0.00 0.45 0.00 0.00 54.58 54.58 2k0a n ASN 95 Cb 0.32 -4.21 0.13 0.00 1.23 0.00 0.00 39.78 37.26 2k0a n ASN 95 CO 0.00 0.00 0.00 -2.11 -3.05 0.00 0.00 177.26 172.10 2k0a n ARG 96 N -3.56 0.98 -3.91 1.20 -4.01 -1.26 -4.99 116.66 101.11 2k0a n ARG 96 Ca -0.21 -2.71 -0.35 0.00 -1.04 0.00 0.00 57.85 53.54 2k0a n ARG 96 Cb 0.63 -1.05 -0.14 0.00 -3.04 0.00 0.00 32.46 28.86 2k0a n ARG 96 CO 0.00 0.00 0.00 -0.51 -3.04 0.00 0.00 177.63 174.08 2k0a s LEU 97 N -2.03 2.99 0.32 2.89 1.43 -1.26 -4.95 118.68 118.08 2k0a s LEU 97 Ca 0.34 -0.49 0.00 0.00 -1.03 0.00 0.00 54.13 52.95 2k0a s LEU 97 Cb 0.35 -1.73 0.00 0.00 0.03 0.00 0.00 46.19 44.84 2k0a s LEU 97 CO -0.09 -0.05 0.00 0.47 0.23 0.00 0.00 176.35 176.91 2k0a n ASP 98 N 4.78 -5.53 -3.21 2.29 8.00 -1.26 -4.57 116.55 117.05 2k0a n ASP 98 Ca -0.18 0.78 -0.34 0.00 0.71 0.00 0.00 54.79 55.76 2k0a n ASP 98 Cb 0.50 -2.51 -0.03 0.00 -0.02 0.00 0.00 41.12 39.05 2k0a n ASP 98 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2k0a n ARG 99 N -1.05 3.31 -2.06 -1.24 5.12 -1.26 -4.93 116.66 114.55 2k0a n ARG 99 Ca 0.00 -1.99 -0.42 0.00 -1.93 0.00 0.00 57.85 53.51 2k0a n ARG 99 Cb 0.03 -2.69 -0.03 0.00 -1.16 0.00 0.00 32.46 28.61 2k0a n ARG 99 CO 0.00 0.00 0.00 -1.01 -1.93 0.00 0.00 177.63 174.69 2k0a s HIS 100 N 2.33 3.16 -0.10 -1.55 3.76 -1.26 -4.90 115.29 116.74 2k0a s HIS 100 Ca 0.64 0.81 0.20 0.00 -0.15 0.00 0.00 55.06 56.57 2k0a s HIS 100 Cb 0.17 -3.79 -0.30 0.00 1.11 0.00 0.00 32.58 29.77 2k0a s HIS 100 CO -0.05 -2.85 0.35 1.97 -0.85 0.00 0.00 174.74 173.31 2k0a n PHE 101 N 3.91 0.04 -1.46 1.40 1.16 -1.26 -4.69 117.46 116.57 2k0a n PHE 101 Ca 0.12 0.01 -0.42 0.00 -1.87 0.00 0.00 57.45 55.30 2k0a n PHE 101 Cb 0.41 -0.70 -0.02 0.00 -1.61 0.00 0.00 39.48 37.55 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 -2.46 2.31 -3.83 3.97 0.00 -1.26 -4.43 120.64 114.95 2k0a n GLU 102 Ca -0.14 -2.26 -0.07 0.00 0.00 0.00 0.00 57.16 54.70 2k0a n GLU 102 Cb 0.78 -3.10 0.01 0.00 0.00 0.00 0.00 31.44 29.13 2k0a n GLU 102 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.13 175.54 2k0a s LYS 103 N 3.90 1.82 -0.12 5.31 0.00 -1.26 -5.11 119.74 124.28 2k0a s LYS 103 Ca 0.52 -1.11 -0.34 0.00 0.00 0.00 0.00 55.97 55.04 2k0a s LYS 103 Cb 0.14 0.55 -0.11 0.00 0.00 0.00 0.00 37.83 38.41 2k0a s LYS 103 CO -0.00 -0.84 1.94 1.17 0.00 0.00 0.00 175.35 177.61 2k0a n LYS 104 N -0.53 2.11 -1.34 1.78 4.81 -1.26 -4.17 118.16 119.55 2k0a n LYS 104 Ca -0.06 0.75 0.00 0.00 -0.87 0.00 0.00 58.31 58.13 2k0a n LYS 104 Cb 0.60 -2.69 0.00 0.00 0.02 0.00 0.00 35.03 32.96 2k0a n LYS 104 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2k0a n LYS 105 N 6.98 -3.40 -0.81 1.64 5.02 -1.26 -4.64 118.16 121.69 2k0a n LYS 105 Ca 0.25 2.54 -0.12 0.00 -2.02 0.00 0.00 58.31 58.95 2k0a n LYS 105 Cb 0.31 -2.64 -0.12 0.00 -0.02 0.00 0.00 35.03 32.56 2k0a n LYS 105 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2k0a n LYS 106 N 0.73 1.72 0.00 1.97 4.81 -1.26 -4.94 118.16 121.20 2k0a n LYS 106 Ca 0.00 -0.91 0.05 0.00 -0.87 0.00 0.00 58.31 56.59 2k0a n LYS 106 Cb 0.00 -1.98 0.04 0.00 0.02 0.00 0.00 35.03 33.12 2k0a n LYS 106 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85