#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k0a s GLY 0 N 0.00 1.88 0.00 -0.02 0.00 -1.26 -4.79 107.32 103.13 2k0a s GLY 0 Ca 0.00 0.93 0.00 0.00 0.00 0.00 0.00 44.72 45.65 2k0a s GLY 0 CO 0.00 2.49 0.00 -1.26 0.00 0.00 0.00 173.10 174.33 2k0a n SER 1 N 5.12 0.00 0.00 1.64 2.88 -1.26 -4.80 113.62 117.20 2k0a n SER 1 Ca 0.13 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.67 2k0a n SER 1 Cb 0.43 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.89 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 3.35 0.00 0.21 -3.46 7.64 -1.26 -4.47 113.62 115.64 2k0a n SER 2 Ca 0.00 0.00 0.07 0.00 1.01 0.00 0.00 58.87 59.95 2k0a n SER 2 Cb 0.00 0.00 0.48 0.00 -1.01 0.00 0.00 64.21 63.68 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 0.00 0.00 -0.25 1.43 3.08 -1.91 -3.09 114.38 113.65 2k0a h ARG 3 Ca 0.00 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.10 2k0a h ARG 3 Cb 0.00 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.00 2k0a h ARG 3 CO 0.00 0.27 -0.09 1.25 -1.07 0.00 0.00 179.97 180.33 2k0a h HIS 4 N 0.00 -0.22 0.00 3.04 2.76 -1.98 -3.43 115.15 115.32 2k0a h HIS 4 Ca -0.00 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 2k0a h HIS 4 Cb 0.58 0.13 0.00 0.00 1.55 0.00 0.00 27.41 29.68 2k0a h HIS 4 CO 0.00 -0.15 0.00 0.00 -1.30 0.00 0.00 177.93 176.48 2k0a n GLN 5 N -5.26 2.81 -1.35 5.26 10.64 -1.17 -4.77 117.38 123.54 2k0a n GLN 5 Ca -0.01 0.00 -0.12 0.00 -1.83 0.00 0.00 57.00 55.04 2k0a n GLN 5 Cb 0.18 0.00 -0.05 0.00 -0.86 0.00 0.00 30.24 29.51 2k0a n GLN 5 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 2k0a n PHE 6 N 0.00 0.00 -0.27 2.61 7.35 -1.26 -4.77 117.46 121.12 2k0a n PHE 6 Ca 0.00 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.62 2k0a n PHE 6 Cb 0.00 -2.51 0.17 0.00 0.35 0.00 0.00 39.48 37.48 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 -0.71 3.64 -4.55 -2.13 8.00 -1.26 -4.84 116.55 114.69 2k0a n ASP 7 Ca -0.12 -2.81 -0.38 0.00 0.71 0.00 0.00 54.79 52.19 2k0a n ASP 7 Cb 0.50 -0.67 -0.03 0.00 -0.02 0.00 0.00 41.12 40.90 2k0a n ASP 7 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2k0a s LEU 8 N -1.87 3.29 0.00 0.64 1.43 -1.26 -4.43 118.68 116.47 2k0a s LEU 8 Ca 0.34 -0.64 0.00 0.00 -1.03 0.00 0.00 54.13 52.80 2k0a s LEU 8 Cb 0.28 -2.56 0.00 0.00 0.03 0.00 0.00 46.19 43.94 2k0a s LEU 8 CO 0.08 -2.01 0.00 0.00 0.23 0.00 0.00 176.35 174.65 2k0a n ILE 9 N 6.96 0.00 -1.70 -0.59 0.13 -1.26 -4.41 119.36 118.49 2k0a n ILE 9 Ca 0.22 0.00 -0.43 0.00 -1.10 0.00 0.00 62.75 61.44 2k0a n ILE 9 Cb 0.50 0.00 -0.01 0.00 -0.84 0.00 0.00 39.64 39.28 2k0a n ILE 9 CO 0.00 0.00 0.00 0.23 2.80 0.00 0.00 176.55 179.58 2k0a n MET 10 N -0.34 2.17 -0.35 9.51 0.00 -1.25 -0.33 117.12 126.53 2k0a n MET 10 Ca 0.00 0.76 0.11 0.00 0.00 0.00 0.00 57.70 58.57 2k0a n MET 10 Cb 0.00 -2.40 0.29 0.00 0.00 0.00 0.00 33.22 31.12 2k0a n MET 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2k0a n LEU 12 N -4.69 -1.39 0.00 0.00 4.32 0.11 -4.85 117.00 110.51 2k0a n LEU 12 Ca 0.21 -1.16 0.00 0.00 -0.02 0.00 0.00 56.01 55.04 2k0a n LEU 12 Cb 0.48 -1.84 0.00 0.00 -1.62 0.00 0.00 43.42 40.44 2k0a n LEU 12 CO 0.24 0.36 0.00 0.29 -1.22 0.00 0.00 177.39 177.07 2k0a n LYS 13 N -4.41 3.03 -2.91 3.23 5.02 -1.26 -4.58 118.16 116.28 2k0a n LYS 13 Ca -0.17 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.70 2k0a n LYS 13 Cb 0.61 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.58 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 1.66 3.83 0.30 1.97 2.00 -1.26 -3.71 119.66 124.46 2k0a s GLN 14 Ca 0.00 0.46 -0.30 0.00 -2.00 0.00 0.00 55.36 53.52 2k0a s GLN 14 Cb 0.00 -3.78 -0.12 0.00 0.80 0.00 0.00 33.01 29.91 2k0a s GLN 14 CO 0.00 -0.83 1.54 -2.30 -0.50 0.00 0.00 175.29 173.21 2k0a n PRO 15 N 6.45 2.60 0.00 1.67 -0.02 -1.26 -3.19 135.00 141.24 2k0a n PRO 15 Ca 0.04 0.92 0.00 0.00 -2.02 0.00 0.00 63.50 62.44 2k0a n PRO 15 Cb 0.48 -2.67 0.00 0.00 -0.02 0.00 0.00 33.50 31.29 2k0a n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2k0a n GLY 16 N 1.79 1.19 0.00 -1.23 0.00 0.23 -4.63 105.19 102.54 2k0a n GLY 16 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2k0a n GLY 16 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2k0a n VAL 17 N 0.00 0.00 -2.04 1.61 3.14 -1.26 -4.90 118.33 114.88 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 0.00 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 32.75 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 -0.66 4.27 0.16 1.45 -0.21 -1.26 -4.88 119.66 118.53 2k0a s GLN 18 Ca 0.00 2.24 -0.30 0.00 0.02 0.00 0.00 55.36 57.32 2k0a s GLN 18 Cb 0.00 -3.17 -0.07 0.00 1.00 0.00 0.00 33.01 30.77 2k0a s GLN 18 CO 0.00 -0.48 1.08 0.99 -2.12 0.00 0.00 175.29 174.76 2k0a s THR 19 N 0.74 3.98 -0.20 -0.19 2.01 -1.26 -1.70 115.64 119.02 2k0a s THR 19 Ca 0.65 1.70 -0.29 0.00 0.31 0.00 0.00 61.69 64.05 2k0a s THR 19 Cb -0.41 -4.08 -0.01 0.00 0.01 0.00 0.00 72.50 68.01 2k0a s THR 19 CO 0.35 0.28 1.28 -0.83 -0.69 0.00 0.00 174.62 175.01 2k0a s GLY 20 N -0.08 1.57 0.11 4.40 0.00 -0.18 -4.81 107.32 108.34 2k0a s GLY 20 Ca 0.49 0.38 -0.15 0.00 0.00 0.00 0.00 44.72 45.44 2k0a s GLY 20 CO 0.34 2.53 0.52 1.08 0.00 0.00 0.00 173.10 177.58 2k0a s LEU 21 N 3.75 4.38 -0.15 0.66 1.43 -1.26 -0.49 118.68 127.00 2k0a s LEU 21 Ca 0.56 1.07 -0.06 0.00 -1.03 0.00 0.00 54.13 54.66 2k0a s LEU 21 Cb -0.21 -3.11 -0.04 0.00 0.03 0.00 0.00 46.19 42.86 2k0a s LEU 21 CO 0.17 0.16 0.06 -0.76 0.23 0.00 0.00 176.35 176.21 2k0a s LEU 22 N -1.73 3.83 0.62 1.79 1.43 0.23 -1.47 118.68 123.38 2k0a s LEU 22 Ca 0.34 0.15 -0.16 0.00 -1.03 0.00 0.00 54.13 53.43 2k0a s LEU 22 Cb -0.16 -1.94 -0.02 0.00 0.03 0.00 0.00 46.19 44.10 2k0a s LEU 22 CO 0.18 0.25 1.09 0.00 0.23 0.00 0.00 176.35 178.11 2k0a h GLU 24 N 0.32 0.13 -0.22 0.00 5.08 -1.94 0.56 114.58 118.50 2k0a h GLU 24 Ca -0.47 -0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 57.76 2k0a h GLU 24 Cb 1.24 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.46 2k0a h GLU 24 CO 0.56 0.09 -0.34 0.87 -1.00 0.00 0.00 179.01 179.18 2k0a h LYS 25 N 0.13 0.62 0.00 2.33 1.79 -1.95 -3.14 116.57 116.35 2k0a h LYS 25 Ca 0.56 -0.37 0.00 0.00 -2.18 0.00 0.00 60.65 58.66 2k0a h LYS 25 Cb 1.95 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 32.64 2k0a h LYS 25 CO -0.11 0.98 -0.55 0.00 -1.08 0.00 0.00 179.45 178.69 2k0a n ASP 27 N -1.66 3.06 0.00 0.00 2.03 0.18 -0.41 116.55 119.76 2k0a n ASP 27 Ca 0.05 0.68 0.00 0.00 0.52 0.00 0.00 54.79 56.04 2k0a n ASP 27 Cb 0.36 -1.38 0.00 0.00 -0.72 0.00 0.00 41.12 39.39 2k0a n ASP 27 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k0a n GLY 28 N 5.23 1.01 3.70 0.27 0.00 -1.26 -4.99 105.19 109.15 2k0a n GLY 28 Ca 0.29 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 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 4.44 -0.11 1.61 1.02 0.45 -4.22 119.74 122.93 2k0a s LYS 29 Ca 0.00 1.57 -0.29 0.00 0.02 0.00 0.00 55.97 57.26 2k0a s LYS 29 Cb 0.00 -3.48 -0.04 0.00 -0.52 0.00 0.00 37.83 33.79 2k0a s LYS 29 CO 0.00 -0.27 1.63 0.00 -0.92 0.00 0.00 175.35 175.79 2k0a h PRO 31 N 9.93 0.75 -0.07 0.00 0.13 -1.90 0.39 132.00 141.24 2k0a h PRO 31 Ca -0.37 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 64.70 2k0a h PRO 31 Cb 1.17 -0.17 -0.00 0.00 0.13 0.00 0.00 31.00 32.13 2k0a h PRO 31 CO 0.97 0.50 -0.04 0.82 -0.23 0.00 0.00 178.00 180.01 2k0a h ILE 32 N 0.77 1.34 -0.00 -3.56 1.08 -1.90 -3.37 117.51 111.87 2k0a h ILE 32 Ca 0.49 -1.09 0.00 0.00 -0.39 0.00 0.00 64.86 63.87 2k0a h ILE 32 Cb 0.64 1.92 0.00 0.00 -3.07 0.00 0.00 36.82 36.30 2k0a h ILE 32 CO -0.33 0.30 -0.38 0.00 -0.69 0.00 0.00 178.15 177.06 2k0a n ASP 34 N -0.85 -7.67 -3.63 0.00 -0.08 0.14 -5.00 116.55 99.46 2k0a n ASP 34 Ca 0.03 -0.03 -0.14 0.00 -1.51 0.00 0.00 54.79 53.14 2k0a n ASP 34 Cb 0.18 -5.12 -0.07 0.00 2.34 0.00 0.00 41.12 38.45 2k0a n ASP 34 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 2k0a s SER 35 N -2.93 -0.76 -0.13 1.67 0.15 -1.24 -4.87 113.70 105.59 2k0a s SER 35 Ca 0.04 1.45 0.01 0.00 0.70 0.00 0.00 55.95 58.15 2k0a s SER 35 Cb -0.01 1.46 0.19 0.00 -1.71 0.00 0.00 66.02 65.95 2k0a s SER 35 CO 0.76 -0.25 1.29 -1.22 1.20 0.00 0.00 173.24 175.03 2k0a n TYR 36 N 2.77 0.87 -2.84 3.44 4.02 -1.26 -1.11 117.16 123.04 2k0a n TYR 36 Ca -0.14 -0.91 -0.34 0.00 -0.01 0.00 0.00 57.90 56.50 2k0a n TYR 36 Cb 0.55 -0.46 -0.07 0.00 -0.02 0.00 0.00 39.34 39.34 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 -0.95 4.38 -0.42 -0.72 0.11 -1.26 -4.89 120.40 116.65 2k0a s VAL 37 Ca 0.16 1.51 -0.40 0.00 -2.93 0.00 0.00 61.98 60.33 2k0a s VAL 37 Cb 0.14 -3.68 -0.17 0.00 -1.53 0.00 0.00 36.38 31.13 2k0a s VAL 37 CO 0.03 -0.21 1.36 0.54 -3.33 0.00 0.00 175.10 173.48 2k0a n ARG 38 N -0.37 0.00 -2.79 1.54 1.74 -1.26 -4.65 116.66 110.87 2k0a n ARG 38 Ca 0.06 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.81 2k0a n ARG 38 Cb 0.53 -1.27 -0.06 0.00 -1.02 0.00 0.00 32.46 30.64 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 2.55 4.17 0.03 5.56 0.04 -1.26 1.00 135.00 147.07 2k0a s PRO 39 Ca 0.89 1.05 0.00 0.00 0.04 0.00 0.00 61.00 62.98 2k0a s PRO 39 Cb -1.27 -2.20 0.00 0.00 0.04 0.00 0.00 34.50 31.07 2k0a s PRO 39 CO 0.69 -0.04 0.00 1.63 0.04 0.00 0.00 177.00 179.32 2k0a n LYS 40 N -0.75 0.00 -2.66 4.56 5.02 0.18 -4.74 118.16 119.77 2k0a n LYS 40 Ca 0.07 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.94 2k0a n LYS 40 Cb 0.54 -0.01 -0.03 0.00 -0.02 0.00 0.00 35.03 35.51 2k0a n LYS 40 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2k0a s ARG 41 N -1.09 4.58 0.18 1.97 6.06 -1.09 -4.83 118.95 124.73 2k0a s ARG 41 Ca 0.00 1.50 -0.30 0.00 -2.50 0.00 0.00 55.73 54.43 2k0a s ARG 41 Cb 0.00 -3.41 -0.09 0.00 0.06 0.00 0.00 34.95 31.51 2k0a s ARG 41 CO 0.00 -0.00 1.34 0.21 -2.50 0.00 0.00 175.30 174.35 2k0a s LYS 42 N 0.65 4.36 -0.05 5.12 2.20 -1.26 0.55 119.74 131.31 2k0a s LYS 42 Ca 0.51 2.09 -0.30 0.00 -0.36 0.00 0.00 55.97 57.91 2k0a s LYS 42 Cb -0.23 -3.20 -0.03 0.00 -1.51 0.00 0.00 37.83 32.86 2k0a s LYS 42 CO 0.29 -0.31 1.13 0.08 -0.36 0.00 0.00 175.35 176.18 2k0a s VAL 43 N 0.33 4.42 -0.09 4.02 1.01 -0.03 -4.81 120.40 125.25 2k0a s VAL 43 Ca 0.59 1.73 0.02 0.00 0.00 0.00 0.00 61.98 64.32 2k0a s VAL 43 Cb -0.37 -4.11 0.01 0.00 0.00 0.00 0.00 36.38 31.91 2k0a s VAL 43 CO 0.37 0.03 -0.16 -0.13 0.00 0.00 0.00 175.10 175.20 2k0a s ARG 44 N 1.93 2.26 0.49 2.72 0.52 -1.26 -1.01 118.95 124.60 2k0a s ARG 44 Ca 0.54 -0.59 -0.08 0.00 -0.52 0.00 0.00 55.73 55.08 2k0a s ARG 44 Cb -0.23 -1.84 -0.05 0.00 0.52 0.00 0.00 34.95 33.35 2k0a s ARG 44 CO 0.22 0.02 0.83 0.14 0.02 0.00 0.00 175.30 176.53 2k0a s VAL 45 N 0.73 4.83 0.56 3.52 -7.23 -0.69 -4.48 120.40 117.64 2k0a s VAL 45 Ca -0.12 0.46 -0.20 0.00 -1.81 0.00 0.00 61.98 60.31 2k0a s VAL 45 Cb -0.16 -3.83 -0.05 0.00 0.56 0.00 0.00 36.38 32.91 2k0a s VAL 45 CO 0.03 -0.81 1.22 0.00 -0.31 0.00 0.00 175.10 175.23 2k0a h GLU 47 N 1.19 0.08 -0.43 0.00 4.11 -1.81 0.28 114.58 118.00 2k0a h GLU 47 Ca -0.50 -0.00 0.01 0.00 0.07 0.00 0.00 59.36 58.93 2k0a h GLU 47 Cb 1.29 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.50 2k0a h GLU 47 CO 0.56 0.05 0.29 -0.91 0.07 0.00 0.00 179.01 179.08 2k0a h ASN 48 N 0.09 0.48 -0.79 3.06 2.35 -1.90 0.12 115.58 118.99 2k0a h ASN 48 Ca 0.30 -0.01 -0.48 0.00 -0.55 0.00 0.00 56.30 55.56 2k0a h ASN 48 Cb 1.09 -0.12 -0.24 0.00 0.05 0.00 0.00 38.32 39.10 2k0a h ASN 48 CO -0.03 0.35 0.62 0.00 -1.65 0.00 0.00 177.43 176.72 2k0a n SER 50 N -0.60 0.00 0.11 0.00 7.64 0.19 -3.76 113.62 117.20 2k0a n SER 50 Ca 0.49 0.00 0.12 0.00 1.01 0.00 0.00 58.87 60.49 2k0a n SER 50 Cb 0.99 0.01 0.09 0.00 -1.01 0.00 0.00 64.21 64.29 2k0a n SER 50 CO 0.00 0.00 0.00 2.19 -3.01 0.00 0.00 175.04 174.22 2k0a h PHE 51 N 0.00 0.00 -0.06 1.43 -5.15 -1.03 -3.40 116.94 108.73 2k0a h PHE 51 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 2k0a h PHE 51 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.17 2k0a h PHE 51 CO 0.00 0.00 0.00 0.41 -2.00 0.00 0.00 178.31 176.72 2k0a n GLY 52 N 1.21 0.92 1.51 6.09 0.00 -1.16 -4.86 105.19 108.91 2k0a n GLY 52 Ca 0.02 -1.51 -0.04 0.00 0.00 0.00 0.00 46.02 44.49 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 0.00 1.19 -3.62 1.61 2.85 -1.26 -4.72 118.16 114.21 2k0a n LYS 53 Ca 0.00 -0.39 -0.11 0.00 -1.05 0.00 0.00 58.31 56.76 2k0a n LYS 53 Cb 0.00 -1.15 -0.07 0.00 -0.65 0.00 0.00 35.03 33.16 2k0a n LYS 53 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 177.40 178.49 2k0a s GLN 54 N -0.45 0.62 0.00 -1.58 0.00 -1.26 -4.99 119.66 112.00 2k0a s GLN 54 Ca 0.08 0.59 0.00 0.00 -0.00 0.00 0.00 55.36 56.03 2k0a s GLN 54 Cb 0.06 0.30 0.00 0.00 0.00 0.00 0.00 33.01 33.37 2k0a s GLN 54 CO 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 175.29 175.19 2k0a n ALA 55 N 2.01 0.00 -0.04 2.60 0.00 -1.25 -2.14 120.51 121.69 2k0a n ALA 55 Ca -0.13 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.29 2k0a n ALA 55 Cb 0.56 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.87 2k0a n ALA 55 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2k0a n LYS 56 N -2.14 0.66 -1.82 0.00 4.76 -1.26 -4.57 118.16 113.80 2k0a n LYS 56 Ca 0.00 0.03 -0.40 0.00 -2.87 0.00 0.00 58.31 55.07 2k0a n LYS 56 Cb 0.00 -1.61 0.01 0.00 -1.84 0.00 0.00 35.03 31.59 2k0a n LYS 56 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 2k0a s ASN 57 N -5.38 5.95 0.18 4.39 0.01 -1.26 -0.54 114.94 118.29 2k0a s ASN 57 Ca -0.07 2.91 -0.33 0.00 -0.71 0.00 0.00 52.86 54.66 2k0a s ASN 57 Cb 0.09 -2.65 -0.15 0.00 0.41 0.00 0.00 41.25 38.94 2k0a s ASN 57 CO 0.84 -1.12 1.31 0.00 -1.51 0.00 0.00 177.10 176.62 2k0a h ILE 59 N 2.98 1.09 0.03 0.00 3.07 -1.57 -0.20 117.51 122.91 2k0a h ILE 59 Ca -0.45 -2.40 -0.05 0.00 1.55 0.00 0.00 64.86 63.51 2k0a h ILE 59 Cb 1.31 2.44 0.01 0.00 -0.27 0.00 0.00 36.82 40.30 2k0a h ILE 59 CO 0.75 0.59 -0.23 0.40 -1.05 0.00 0.00 178.15 178.62 2k0a h ILE 60 N 0.00 1.65 -0.01 0.16 2.04 -1.84 -0.38 117.51 119.13 2k0a h ILE 60 Ca -0.01 -2.20 0.00 0.00 1.00 0.00 0.00 64.86 63.65 2k0a h ILE 60 Cb 1.39 3.11 0.00 0.00 -0.74 0.00 0.00 36.82 40.58 2k0a h ILE 60 CO 0.08 0.59 -0.57 0.00 0.00 0.00 0.00 178.15 178.25 2k0a n ASN 62 N -0.59 0.00 -0.01 0.00 3.02 -0.09 -4.60 115.26 113.00 2k0a n ASN 62 Ca 0.06 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.60 2k0a n ASN 62 Cb 0.35 0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.52 2k0a n ASN 62 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 2k0a h LEU 63 N 0.00 -0.05-10.06 3.41 7.12 -1.93 -3.40 115.31 110.40 2k0a h LEU 63 Ca 0.00 0.00 -0.51 0.00 0.13 0.00 0.00 57.88 57.50 2k0a h LEU 63 Cb 0.00 0.01 0.08 0.00 -0.53 0.00 0.00 40.66 40.23 2k0a h LEU 63 CO 0.00 0.28 0.47 0.20 -0.13 0.00 0.00 178.44 179.26 2k0a s ASN 64 N -4.64 5.73 0.22 1.25 0.01 -1.26 -4.75 114.94 111.49 2k0a s ASN 64 Ca -0.01 2.30 -0.30 0.00 -0.71 0.00 0.00 52.86 54.14 2k0a s ASN 64 Cb 0.00 -2.60 -0.08 0.00 0.41 0.00 0.00 41.25 38.98 2k0a s ASN 64 CO 0.03 -1.22 1.14 0.54 -1.51 0.00 0.00 177.10 176.08 2k0a s VAL 65 N -1.63 3.61 0.33 1.60 0.11 -1.26 0.51 120.40 123.67 2k0a s VAL 65 Ca 0.71 1.45 -0.26 0.00 -2.93 0.00 0.00 61.98 60.95 2k0a s VAL 65 Cb -0.28 -3.92 -0.10 0.00 -1.53 0.00 0.00 36.38 30.55 2k0a s VAL 65 CO 0.32 0.28 0.97 -0.83 -3.33 0.00 0.00 175.10 172.50 2k0a s GLY 66 N -0.29 2.81 -0.06 6.54 0.00 0.30 -4.00 107.32 112.61 2k0a s GLY 66 Ca 0.49 0.57 -0.02 0.00 0.00 0.00 0.00 44.72 45.75 2k0a s GLY 66 CO 0.38 1.02 -0.08 3.33 0.00 0.00 0.00 173.10 177.75 2k0a n VAL 67 N 0.51 0.36 -4.89 1.40 0.24 0.12 -4.79 118.33 111.29 2k0a n VAL 67 Ca 0.02 -0.10 -0.33 0.00 -2.04 0.00 0.00 64.34 61.89 2k0a n VAL 67 Cb 0.50 -1.38 -0.14 0.00 -1.47 0.00 0.00 33.84 31.35 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 -5.35 3.92 0.25 -1.34 0.01 -0.88 -4.86 114.94 106.69 2k0a s ASN 68 Ca -0.09 -0.28 -0.30 0.00 -0.71 0.00 0.00 52.86 51.48 2k0a s ASN 68 Cb 0.03 -1.14 -0.10 0.00 0.41 0.00 0.00 41.25 40.45 2k0a s ASN 68 CO 0.12 0.27 1.49 -1.81 -1.51 0.00 0.00 177.10 175.66 2k0a s ASP 69 N -0.26 6.57 0.52 -1.22 1.11 -1.26 0.75 116.67 122.88 2k0a s ASP 69 Ca 0.01 2.74 -0.18 0.00 0.18 0.00 0.00 52.55 55.31 2k0a s ASP 69 Cb -0.13 -2.62 -0.07 0.00 1.07 0.00 0.00 42.92 41.16 2k0a s ASP 69 CO 0.03 -0.77 1.01 0.00 1.18 0.00 0.00 175.17 176.62 2k0a s ALA 70 N 0.09 2.93 -0.02 5.23 0.00 0.36 -4.81 121.76 125.54 2k0a s ALA 70 Ca 0.61 0.35 0.02 0.00 0.00 0.00 0.00 51.96 52.94 2k0a s ALA 70 Cb -0.44 -3.18 0.01 0.00 0.00 0.00 0.00 23.12 19.51 2k0a s ALA 70 CO 0.43 -0.37 -0.06 -0.06 0.00 0.00 0.00 175.76 175.71 2k0a s PHE 71 N -2.39 0.68 0.15 0.00 0.40 -1.26 -0.85 117.98 114.70 2k0a s PHE 71 Ca 0.62 -0.16 -0.31 0.00 -0.60 0.00 0.00 56.93 56.48 2k0a s PHE 71 Cb -0.13 -0.52 -0.09 0.00 0.51 0.00 0.00 43.02 42.79 2k0a s PHE 71 CO 0.28 -0.09 1.48 0.71 0.70 0.00 0.00 175.22 178.30 2k0a s TYR 72 N 0.35 3.15 0.85 0.36 2.02 0.19 -4.58 117.35 119.68 2k0a s TYR 72 Ca -0.04 0.80 -0.11 0.00 -0.37 0.00 0.00 57.07 57.34 2k0a s TYR 72 Cb -0.08 -3.81 0.10 0.00 -0.40 0.00 0.00 41.96 37.77 2k0a s TYR 72 CO -0.00 -2.91 1.09 0.00 -1.57 0.00 0.00 175.55 172.17 2k0a h TRP 74 N -1.40 0.55 -0.24 0.00 7.01 0.38 0.21 115.95 122.45 2k0a h TRP 74 Ca -0.47 0.04 0.00 0.00 2.11 0.00 0.00 58.89 60.58 2k0a h TRP 74 Cb 1.26 -0.12 -0.01 0.00 -2.10 0.00 0.00 29.16 28.18 2k0a h TRP 74 CO 0.50 0.06 0.15 0.93 -2.79 0.00 0.00 178.44 177.29 2k0a h GLU 75 N 0.46 0.31 -0.42 2.65 4.39 -1.91 0.77 114.58 120.81 2k0a h GLU 75 Ca 0.43 -0.02 -0.11 0.00 0.34 0.00 0.00 59.36 60.00 2k0a h GLU 75 Cb 0.67 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.23 2k0a h GLU 75 CO -0.41 0.20 -0.19 0.00 -1.16 0.00 0.00 179.01 177.45 2k0a h ARG 78 N 0.83 0.94 -0.12 0.00 9.65 -0.64 -2.56 114.38 122.47 2k0a h ARG 78 Ca 0.21 -0.16 -0.13 0.00 -1.10 0.00 0.00 59.98 58.79 2k0a h ARG 78 Cb 0.14 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 28.55 2k0a h ARG 78 CO -0.02 0.78 -0.49 -0.07 2.80 0.00 0.00 179.97 182.97 2k0a h LEU 79 N 0.88 0.35 0.00 3.80 3.38 -0.95 -3.47 115.31 119.30 2k0a h LEU 79 Ca 0.21 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2k0a h LEU 79 Cb 0.19 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2k0a h LEU 79 CO -0.02 0.78 0.00 0.61 0.09 0.00 0.00 178.44 179.90 2k0a n GLY 80 N 0.04 1.48 0.24 0.83 0.00 0.98 -5.00 105.19 103.76 2k0a n GLY 80 Ca -0.02 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.42 1.61 6.56 -1.16 -1.34 116.57 121.83 2k0a h LYS 81 Ca 0.00 0.00 -0.06 0.00 -1.06 0.00 0.00 60.65 59.53 2k0a h LYS 81 Cb 0.00 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 31.64 2k0a h LYS 81 CO 0.00 0.19 0.03 0.38 -2.06 0.00 0.00 179.45 177.99 2k0a h ASP 82 N 0.00 0.70 0.72 0.86 2.03 -1.87 -2.61 116.42 116.25 2k0a h ASP 82 Ca -0.00 -0.29 0.00 0.00 -0.73 0.00 0.00 57.03 56.01 2k0a h ASP 82 Cb 0.48 -0.19 0.00 0.00 -0.83 0.00 0.00 39.33 38.80 2k0a h ASP 82 CO 0.02 0.81 -0.18 2.29 -1.03 0.00 0.00 179.24 181.16 2k0a n LYS 83 N -4.46 0.13 0.02 4.15 2.85 -1.03 -3.70 118.16 116.12 2k0a n LYS 83 Ca -0.00 -0.04 -0.11 0.00 -1.05 0.00 0.00 58.31 57.10 2k0a n LYS 83 Cb 0.27 -1.50 -0.06 0.00 -0.65 0.00 0.00 35.03 33.09 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 0.09 0.06 0.00 -5.58 3.32 -0.85 -3.49 116.42 109.98 2k0a h ASP 84 Ca 0.00 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2k0a h ASP 84 Cb 0.47 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.01 2k0a h ASP 84 CO 0.00 0.04 0.00 0.61 -1.72 0.00 0.00 179.24 178.17 2k0a n GLY 85 N -1.10 0.03 3.65 2.75 0.00 -1.23 -4.80 105.19 104.49 2k0a n GLY 85 Ca -0.06 -0.90 -0.43 0.00 0.00 0.00 0.00 46.02 44.64 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 7.26 1.84 -2.37 0.00 -0.04 -1.26 0.10 135.00 140.52 2k0a n PRO 87 Ca 0.17 -1.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.21 2k0a n PRO 87 Cb 0.44 -1.57 -0.03 0.00 -0.04 0.00 0.00 33.50 32.31 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 -1.32 4.31 -0.43 0.54 1.81 -1.26 -4.71 118.95 117.88 2k0a s ARG 88 Ca 0.18 1.77 -0.29 0.00 -1.72 0.00 0.00 55.73 55.67 2k0a s ARG 88 Cb 0.15 -3.60 0.02 0.00 -0.45 0.00 0.00 34.95 31.07 2k0a s ARG 88 CO 0.04 -0.52 1.26 0.42 -0.68 0.00 0.00 175.30 175.82 2k0a s ILE 89 N 2.46 4.09 -0.10 1.52 -1.09 -0.15 0.37 121.20 128.30 2k0a s ILE 89 Ca 0.58 1.12 0.14 0.00 -2.23 0.00 0.00 60.65 60.27 2k0a s ILE 89 Cb -0.26 -4.41 -0.04 0.00 -1.58 0.00 0.00 42.46 36.16 2k0a s ILE 89 CO 0.23 -0.86 1.23 -0.07 -1.23 0.00 0.00 174.94 174.24 2k0a h LEU 90 N 11.57 0.00 0.00 2.97 3.38 -0.95 -3.45 115.31 128.83 2k0a h LEU 90 Ca -0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.72 2k0a h LEU 90 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 2k0a h LEU 90 CO 1.10 0.62 0.00 -3.20 0.09 0.00 0.00 178.44 177.05 2k0a n ASN 91 N -3.15 0.00 0.00 -0.43 2.85 -1.22 -4.47 115.26 108.83 2k0a n ASN 91 Ca -0.02 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.45 2k0a n ASN 91 Cb 0.81 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.83 2k0a n ASN 91 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2k0a n LEU 92 N 0.00 0.00 0.07 1.20 -0.00 -1.26 -4.85 117.00 112.16 2k0a n LEU 92 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 55.88 2k0a n LEU 92 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.34 2k0a n LEU 92 CO 0.00 0.00 0.76 1.23 -0.00 0.00 0.00 177.39 179.38 2k0a h GLY 93 N 0.00 -0.14 -5.41 1.47 0.00 -2.00 -3.45 103.07 93.55 2k0a h GLY 93 Ca 0.00 0.05 -0.03 0.00 0.00 0.00 0.00 47.33 47.35 2k0a h GLY 93 CO 0.00 -0.05 -0.21 -0.56 0.00 0.00 0.00 176.54 175.72 2k0a s SER 94 N -5.21 -0.70 0.00 0.19 0.01 -1.26 -5.03 113.70 101.69 2k0a s SER 94 Ca -0.14 1.24 0.00 0.00 1.31 0.00 0.00 55.95 58.36 2k0a s SER 94 Cb 0.04 1.49 0.00 0.00 0.21 0.00 0.00 66.02 67.77 2k0a s SER 94 CO 0.65 -0.22 0.00 -3.20 0.41 0.00 0.00 173.24 170.87 2k0a n ASN 95 N 4.94 0.00 0.00 2.44 2.85 -1.26 -5.15 115.26 119.07 2k0a n ASN 95 Ca -0.15 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.32 2k0a n ASN 95 Cb 0.53 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.55 2k0a n ASN 95 CO 0.00 0.00 0.00 -2.11 -2.11 0.00 0.00 177.26 173.04 2k0a n ARG 96 N 0.00 0.00 -2.37 1.20 -4.01 -1.26 -4.87 116.66 105.35 2k0a n ARG 96 Ca 0.00 0.00 -0.14 0.00 -1.04 0.00 0.00 57.85 56.67 2k0a n ARG 96 Cb 0.00 0.00 -0.00 0.00 -3.04 0.00 0.00 32.46 29.42 2k0a n ARG 96 CO 0.00 0.00 0.00 1.28 -3.04 0.00 0.00 177.63 175.87 2k0a n LEU 97 N 0.00 -1.77 -4.71 2.89 4.77 -1.26 -4.98 117.00 111.93 2k0a n LEU 97 Ca 0.00 -0.05 -0.42 0.00 -0.03 0.00 0.00 56.01 55.51 2k0a n LEU 97 Cb 0.00 -2.13 -0.03 0.00 -2.33 0.00 0.00 43.42 38.93 2k0a n LEU 97 CO 0.00 -0.08 0.76 -0.62 -1.33 0.00 0.00 177.39 176.12 2k0a s ASP 98 N -2.46 7.26 0.09 -1.43 -1.08 -1.26 -4.92 116.67 112.87 2k0a s ASP 98 Ca 0.04 1.83 0.22 0.00 -0.52 0.00 0.00 52.55 54.12 2k0a s ASP 98 Cb -0.02 -2.58 -0.16 0.00 -1.46 0.00 0.00 42.92 38.70 2k0a s ASP 98 CO 0.05 -0.33 0.77 0.54 0.52 0.00 0.00 175.17 176.72 2k0a n ARG 99 N 3.75 0.63 -2.47 4.34 5.12 -1.26 -4.33 116.66 122.45 2k0a n ARG 99 Ca 0.07 -0.03 -0.22 0.00 -1.93 0.00 0.00 57.85 55.75 2k0a n ARG 99 Cb 0.49 -1.68 0.01 0.00 -1.16 0.00 0.00 32.46 30.12 2k0a n ARG 99 CO 0.00 0.00 0.00 -2.39 -1.93 0.00 0.00 177.63 173.31 2k0a n HIS 100 N -2.49 2.75 -1.93 -1.55 1.44 -1.26 -5.05 115.22 107.13 2k0a n HIS 100 Ca -0.02 -2.87 -0.42 0.00 -2.01 0.00 0.00 57.72 52.39 2k0a n HIS 100 Cb 0.57 -0.19 -0.03 0.00 0.12 0.00 0.00 29.99 30.46 2k0a n HIS 100 CO 0.00 0.00 0.00 0.12 -2.81 0.00 0.00 176.34 173.65 2k0a s PHE 101 N -3.48 1.80 -0.39 -1.40 5.36 -1.26 -4.81 117.98 113.80 2k0a s PHE 101 Ca 0.43 0.22 0.04 0.00 -0.96 0.00 0.00 56.93 56.67 2k0a s PHE 101 Cb 0.41 -4.00 0.31 0.00 -0.34 0.00 0.00 43.02 39.40 2k0a s PHE 101 CO -0.10 -3.90 1.23 -1.91 -1.46 0.00 0.00 175.22 169.07 2k0a n GLU 102 N 7.56 0.53 -3.50 10.12 0.00 -1.26 -4.84 120.64 129.26 2k0a n GLU 102 Ca 0.20 -1.27 -0.35 0.00 0.00 0.00 0.00 57.16 55.74 2k0a n GLU 102 Cb 0.43 -0.62 -0.06 0.00 0.00 0.00 0.00 31.44 31.20 2k0a n GLU 102 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2k0a n LYS 103 N 0.68 2.89 0.00 5.31 5.02 -1.26 -4.80 118.16 126.00 2k0a n LYS 103 Ca 0.01 -4.54 0.00 0.00 -2.02 0.00 0.00 58.31 51.76 2k0a n LYS 103 Cb 0.72 -2.39 0.00 0.00 -0.02 0.00 0.00 35.03 33.34 2k0a n LYS 103 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2k0a n LYS 104 N 1.80 0.00 -4.14 1.97 4.01 -1.26 -4.81 118.16 115.72 2k0a n LYS 104 Ca 0.24 0.00 -0.15 0.00 -0.51 0.00 0.00 58.31 57.89 2k0a n LYS 104 Cb 0.37 -0.13 -0.11 0.00 -0.51 0.00 0.00 35.03 34.65 2k0a n LYS 104 CO 0.00 0.00 0.00 -1.59 -1.11 0.00 0.00 177.40 174.70 2k0a s LYS 105 N 0.00 0.75 -0.17 1.97 -2.85 -1.26 -5.15 119.74 113.03 2k0a s LYS 105 Ca 0.00 -1.00 -0.10 0.00 -1.00 0.00 0.00 55.97 53.87 2k0a s LYS 105 Cb 0.00 -0.53 0.06 0.00 -2.06 0.00 0.00 37.83 35.30 2k0a s LYS 105 CO 0.00 0.10 0.42 0.21 0.10 0.00 0.00 175.35 176.17 2k0a s LYS 106 N -2.21 0.41 0.00 1.78 2.20 -1.26 -4.39 119.74 116.27 2k0a s LYS 106 Ca -0.01 0.76 0.29 0.00 -0.36 0.00 0.00 55.97 56.65 2k0a s LYS 106 Cb -0.06 0.02 1.25 0.00 -1.51 0.00 0.00 37.83 37.53 2k0a s LYS 106 CO 0.01 -0.14 1.86 0.28 -0.36 0.00 0.00 175.35 176.99