#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 1.97 5.00 -0.02 0.00 -1.26 -4.86 105.19 106.03 2k0a n GLY 0 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 1.31 0.00 -3.81 1.61 7.64 -1.26 -4.64 113.62 114.47 2k0a n SER 1 Ca 0.00 0.00 -0.23 0.00 1.01 0.00 0.00 58.87 59.65 2k0a n SER 1 Cb 0.00 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.21 2k0a n SER 1 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2k0a n SER 2 N 1.54 -0.77 -4.70 6.43 2.88 -1.26 -4.86 113.62 112.88 2k0a n SER 2 Ca 0.00 -0.91 -0.42 0.00 -1.33 0.00 0.00 58.87 56.21 2k0a n SER 2 Cb 0.00 -3.60 -0.03 0.00 -0.75 0.00 0.00 64.21 59.83 2k0a n SER 2 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2k0a s ARG 3 N -6.24 4.36 -0.51 -1.46 1.81 -1.26 -4.93 118.95 110.72 2k0a s ARG 3 Ca 0.00 1.76 0.07 0.00 -1.72 0.00 0.00 55.73 55.84 2k0a s ARG 3 Cb -0.00 -3.49 0.34 0.00 -0.45 0.00 0.00 34.95 31.35 2k0a s ARG 3 CO 0.85 -0.41 0.88 1.58 -0.68 0.00 0.00 175.30 177.52 2k0a n HIS 4 N 4.82 2.83 -3.98 -0.53 -0.00 -1.26 -5.06 115.22 112.04 2k0a n HIS 4 Ca 0.11 -3.93 -0.09 0.00 -0.00 0.00 0.00 57.72 53.80 2k0a n HIS 4 Cb 0.46 -0.46 -0.08 0.00 -0.00 0.00 0.00 29.99 29.90 2k0a n HIS 4 CO 0.00 0.00 0.00 1.14 -0.00 0.00 0.00 176.34 177.48 2k0a s GLN 5 N -3.15 0.95 0.00 1.57 -2.07 -1.26 -5.01 119.66 110.69 2k0a s GLN 5 Ca 0.46 -1.17 0.00 0.00 -1.82 0.00 0.00 55.36 52.83 2k0a s GLN 5 Cb 0.30 0.32 0.00 0.00 -1.09 0.00 0.00 33.01 32.54 2k0a s GLN 5 CO -0.12 -0.31 1.18 0.34 -1.32 0.00 0.00 175.29 175.06 2k0a n PHE 6 N -0.10 0.00 -3.35 9.60 7.35 -1.26 -4.65 117.46 125.05 2k0a n PHE 6 Ca -0.10 -0.59 -0.16 0.00 -0.76 0.00 0.00 57.45 55.84 2k0a n PHE 6 Cb 0.63 -0.33 0.08 0.00 0.35 0.00 0.00 39.48 40.21 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 1.06 -3.82 -4.14 -2.13 9.92 -1.26 -4.90 116.55 111.29 2k0a n ASP 7 Ca 0.00 -0.65 -0.43 0.00 -0.53 0.00 0.00 54.79 53.18 2k0a n ASP 7 Cb 0.40 -5.12 0.00 0.00 -0.64 0.00 0.00 41.12 35.76 2k0a n ASP 7 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2k0a n LEU 8 N -3.76 5.98 -4.50 0.64 4.77 -1.26 -4.79 117.00 114.08 2k0a n LEU 8 Ca -0.20 -4.34 -0.28 0.00 -0.03 0.00 0.00 56.01 51.16 2k0a n LEU 8 Cb 0.65 -1.61 -0.07 0.00 -2.33 0.00 0.00 43.42 40.06 2k0a n LEU 8 CO 0.60 0.90 1.51 -0.38 -1.33 0.00 0.00 177.39 178.69 2k0a n ILE 9 N 4.68 1.75 -2.50 -0.08 -0.00 -1.26 -4.91 119.36 117.04 2k0a n ILE 9 Ca 0.44 -1.80 -0.32 0.00 -0.00 0.00 0.00 62.75 61.07 2k0a n ILE 9 Cb 0.41 -2.17 -0.04 0.00 -0.00 0.00 0.00 39.64 37.84 2k0a n ILE 9 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2k0a s MET 10 N 6.53 3.96 0.11 0.38 0.23 -1.26 -2.08 119.30 127.17 2k0a s MET 10 Ca 0.69 0.91 -0.25 0.00 -1.03 0.00 0.00 55.69 56.01 2k0a s MET 10 Cb 0.00 -2.17 -0.08 0.00 -1.53 0.00 0.00 34.83 31.05 2k0a s MET 10 CO 0.14 -0.21 1.66 0.00 -2.03 0.00 0.00 175.02 174.58 2k0a n LEU 12 N -5.32 -1.70 -4.92 0.00 4.32 0.14 -4.86 117.00 104.66 2k0a n LEU 12 Ca -0.06 -0.69 -0.30 0.00 -0.02 0.00 0.00 56.01 54.94 2k0a n LEU 12 Cb 0.23 -2.13 0.18 0.00 -1.62 0.00 0.00 43.42 40.08 2k0a n LEU 12 CO 0.26 0.25 0.86 -0.54 -1.22 0.00 0.00 177.39 177.00 2k0a s LYS 13 N -6.47 0.62 -0.21 3.23 1.02 -1.26 -4.43 119.74 112.25 2k0a s LYS 13 Ca 0.58 -0.37 -0.29 0.00 0.02 0.00 0.00 55.97 55.90 2k0a s LYS 13 Cb -0.31 -1.84 -0.02 0.00 -0.52 0.00 0.00 37.83 35.14 2k0a s LYS 13 CO 0.71 -2.43 1.54 -1.14 -0.92 0.00 0.00 175.35 173.11 2k0a s GLN 14 N -5.86 3.90 0.49 1.68 2.00 -1.26 -1.89 119.66 118.73 2k0a s GLN 14 Ca 0.73 1.66 -0.23 0.00 -2.00 0.00 0.00 55.36 55.53 2k0a s GLN 14 Cb -0.04 -3.98 -0.06 0.00 0.80 0.00 0.00 33.01 29.72 2k0a s GLN 14 CO 0.53 -1.16 1.33 -2.14 -0.50 0.00 0.00 175.29 173.35 2k0a s PRO 15 N 4.41 3.46 0.00 1.67 0.02 -1.26 -3.13 135.00 140.16 2k0a s PRO 15 Ca 0.68 2.18 0.00 0.00 0.02 0.00 0.00 61.00 63.87 2k0a s PRO 15 Cb -0.24 -2.42 0.00 0.00 0.02 0.00 0.00 34.50 31.85 2k0a s PRO 15 CO 0.27 -0.92 0.00 0.41 -0.33 0.00 0.00 177.00 176.43 2k0a n GLY 16 N 0.64 1.41 0.03 0.52 0.00 0.71 -4.68 105.19 103.82 2k0a n GLY 16 Ca 0.08 -1.23 0.03 0.00 0.00 0.00 0.00 46.02 44.90 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 0.33 -2.37 1.61 0.24 -1.26 -4.82 118.33 112.06 2k0a n VAL 17 Ca 0.00 -0.45 -0.41 0.00 -2.04 0.00 0.00 64.34 61.45 2k0a n VAL 17 Cb 0.00 -0.11 -0.04 0.00 -1.47 0.00 0.00 33.84 32.23 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 -2.86 4.54 -0.00 7.34 -0.21 -1.26 -4.96 119.66 122.25 2k0a s GLN 18 Ca -0.06 1.91 -0.17 0.00 0.02 0.00 0.00 55.36 57.06 2k0a s GLN 18 Cb 0.08 -3.18 -0.06 0.00 1.00 0.00 0.00 33.01 30.86 2k0a s GLN 18 CO 0.64 0.05 0.47 0.99 -2.12 0.00 0.00 175.29 175.33 2k0a s THR 19 N -0.88 4.98 0.18 -0.19 2.01 -1.26 -1.97 115.64 118.52 2k0a s THR 19 Ca 0.48 0.98 -0.31 0.00 0.31 0.00 0.00 61.69 63.15 2k0a s THR 19 Cb -0.34 -3.79 -0.09 0.00 0.01 0.00 0.00 72.50 68.28 2k0a s THR 19 CO 0.42 0.51 1.44 -0.83 -0.69 0.00 0.00 174.62 175.48 2k0a s GLY 20 N -0.69 2.05 0.02 4.40 0.00 -0.04 -4.84 107.32 108.22 2k0a s GLY 20 Ca 0.26 1.25 -0.09 0.00 0.00 0.00 0.00 44.72 46.14 2k0a s GLY 20 CO 0.14 2.36 0.33 1.08 0.00 0.00 0.00 173.10 177.00 2k0a s LEU 21 N 0.44 4.38 -0.05 0.66 1.43 -1.26 -1.08 118.68 123.21 2k0a s LEU 21 Ca 0.63 0.70 0.03 0.00 -1.03 0.00 0.00 54.13 54.46 2k0a s LEU 21 Cb -0.40 -2.70 -0.03 0.00 0.03 0.00 0.00 46.19 43.09 2k0a s LEU 21 CO 0.36 0.26 -0.12 -0.76 0.23 0.00 0.00 176.35 176.32 2k0a s LEU 22 N -1.61 2.88 0.52 1.79 1.43 0.28 -0.08 118.68 123.89 2k0a s LEU 22 Ca 0.27 -0.15 -0.17 0.00 -1.03 0.00 0.00 54.13 53.05 2k0a s LEU 22 Cb -0.14 -1.60 -0.07 0.00 0.03 0.00 0.00 46.19 44.40 2k0a s LEU 22 CO 0.15 0.34 1.00 0.00 0.23 0.00 0.00 176.35 178.07 2k0a h GLU 24 N 0.93 0.00 0.00 0.00 5.08 -1.96 0.11 114.58 118.74 2k0a h GLU 24 Ca -0.47 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 57.79 2k0a h GLU 24 Cb 1.19 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 2k0a h GLU 24 CO 0.61 0.00 -0.47 0.87 -1.00 0.00 0.00 179.01 179.01 2k0a h LYS 25 N 0.00 0.00 -0.12 2.33 1.79 -1.95 -2.98 116.57 115.64 2k0a h LYS 25 Ca 0.16 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.63 2k0a h LYS 25 Cb 0.83 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.48 2k0a h LYS 25 CO -0.00 0.47 0.00 0.00 -1.08 0.00 0.00 179.45 178.84 2k0a s ASP 27 N -2.08 6.70 0.00 0.00 2.15 0.14 -2.41 116.67 121.16 2k0a s ASP 27 Ca 0.29 2.41 0.00 0.00 0.43 0.00 0.00 52.55 55.67 2k0a s ASP 27 Cb 0.24 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 40.28 2k0a s ASP 27 CO 0.06 -0.79 0.00 0.61 -0.17 0.00 0.00 175.17 174.88 2k0a n GLY 28 N 3.77 3.36 3.67 2.66 0.00 -1.26 -5.03 105.19 112.36 2k0a n GLY 28 Ca 0.14 0.00 -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 -0.74 4.21 -0.26 1.61 1.02 -1.01 -4.29 119.74 120.27 2k0a s LYS 29 Ca 0.00 2.11 -0.29 0.00 0.02 0.00 0.00 55.97 57.81 2k0a s LYS 29 Cb 0.00 -3.80 -0.02 0.00 -0.52 0.00 0.00 37.83 33.49 2k0a s LYS 29 CO 0.00 -0.75 1.67 0.00 -0.92 0.00 0.00 175.35 175.35 2k0a h PRO 31 N 11.45 0.00 -0.38 0.00 0.13 -1.89 0.76 132.00 142.07 2k0a h PRO 31 Ca -0.34 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.70 2k0a h PRO 31 Cb 1.16 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 2k0a h PRO 31 CO 1.01 0.00 -0.16 0.82 -0.23 0.00 0.00 178.00 179.45 2k0a h ILE 32 N 0.00 1.26 0.00 -3.56 1.08 -1.89 -3.38 117.51 111.02 2k0a h ILE 32 Ca 0.13 -1.21 0.00 0.00 -0.39 0.00 0.00 64.86 63.39 2k0a h ILE 32 Cb 0.60 1.14 0.00 0.00 -3.07 0.00 0.00 36.82 35.49 2k0a h ILE 32 CO -0.00 0.40 -0.24 0.00 -0.69 0.00 0.00 178.15 177.63 2k0a n ASP 34 N -0.54 -5.88 -3.64 0.00 -0.08 0.26 -5.02 116.55 101.66 2k0a n ASP 34 Ca 0.00 0.59 -0.09 0.00 -1.51 0.00 0.00 54.79 53.78 2k0a n ASP 34 Cb 0.00 -3.83 -0.07 0.00 2.34 0.00 0.00 41.12 39.56 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 -1.64 -0.64 -0.01 1.67 0.15 -1.24 -4.88 113.70 107.10 2k0a s SER 35 Ca 0.10 1.14 0.05 0.00 0.70 0.00 0.00 55.95 57.94 2k0a s SER 35 Cb -0.03 1.20 0.16 0.00 -1.71 0.00 0.00 66.02 65.64 2k0a s SER 35 CO 0.50 -0.19 1.07 -1.22 1.20 0.00 0.00 173.24 174.60 2k0a n TYR 36 N 3.06 0.28 -1.05 3.44 4.02 -1.26 -1.23 117.16 124.42 2k0a n TYR 36 Ca -0.16 -0.13 -0.31 0.00 -0.01 0.00 0.00 57.90 57.30 2k0a n TYR 36 Cb 0.57 -0.03 0.13 0.00 -0.02 0.00 0.00 39.34 39.98 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 -1.70 2.81 0.02 -0.72 0.11 -1.26 -4.86 120.40 114.79 2k0a s VAL 37 Ca 0.12 0.26 -0.39 0.00 -2.93 0.00 0.00 61.98 59.04 2k0a s VAL 37 Cb 0.07 -2.58 -0.19 0.00 -1.53 0.00 0.00 36.38 32.14 2k0a s VAL 37 CO 0.07 -0.34 1.05 -2.11 -3.33 0.00 0.00 175.10 170.44 2k0a n ARG 38 N -3.83 0.11 0.00 1.54 1.85 -1.26 -4.74 116.66 110.32 2k0a n ARG 38 Ca 0.10 0.04 0.00 0.00 -1.00 0.00 0.00 57.85 56.98 2k0a n ARG 38 Cb 0.53 -1.51 0.00 0.00 -1.05 0.00 0.00 32.46 30.43 2k0a n ARG 38 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 177.63 177.27 2k0a n PRO 39 N 1.54 0.86 0.01 2.89 -0.04 -1.26 0.35 135.00 139.35 2k0a n PRO 39 Ca 0.20 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.66 2k0a n PRO 39 Cb 0.10 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.56 2k0a n PRO 39 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2k0a n LYS 40 N -0.13 0.00 -4.15 0.54 0.00 -0.27 -3.08 118.16 111.06 2k0a n LYS 40 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 58.31 58.16 2k0a n LYS 40 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 35.03 34.90 2k0a n LYS 40 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2k0a s ARG 41 N -2.00 0.57 0.33 1.64 0.52 -1.19 -4.98 118.95 113.85 2k0a s ARG 41 Ca 0.00 -0.55 -0.28 0.00 -0.52 0.00 0.00 55.73 54.38 2k0a s ARG 41 Cb 0.00 -0.46 -0.10 0.00 0.52 0.00 0.00 34.95 34.91 2k0a s ARG 41 CO 0.00 0.11 1.27 0.15 0.02 0.00 0.00 175.30 176.84 2k0a s LYS 42 N -0.95 4.35 0.00 3.54 1.02 -1.26 0.44 119.74 126.88 2k0a s LYS 42 Ca -0.03 2.12 -0.30 0.00 0.02 0.00 0.00 55.97 57.78 2k0a s LYS 42 Cb -0.07 -3.04 -0.05 0.00 -0.52 0.00 0.00 37.83 34.16 2k0a s LYS 42 CO 0.00 -0.16 1.21 0.14 -0.92 0.00 0.00 175.35 175.63 2k0a s VAL 43 N -1.17 4.12 -0.34 3.17 -7.23 0.10 -4.75 120.40 114.30 2k0a s VAL 43 Ca 0.49 1.50 -0.13 0.00 -1.81 0.00 0.00 61.98 62.03 2k0a s VAL 43 Cb -0.38 -3.96 -0.01 0.00 0.56 0.00 0.00 36.38 32.59 2k0a s VAL 43 CO 0.50 0.06 0.23 -0.13 -0.31 0.00 0.00 175.10 175.45 2k0a s ARG 44 N 1.66 3.44 0.26 4.82 3.00 -1.26 -0.86 118.95 130.01 2k0a s ARG 44 Ca 0.58 -0.68 -0.18 0.00 0.00 0.00 0.00 55.73 55.44 2k0a s ARG 44 Cb -0.27 -3.79 -0.09 0.00 0.00 0.00 0.00 34.95 30.80 2k0a s ARG 44 CO 0.26 -0.46 0.74 0.14 0.00 0.00 0.00 175.30 175.97 2k0a s VAL 45 N 1.71 4.60 0.85 3.52 -7.23 -0.83 -3.96 120.40 119.05 2k0a s VAL 45 Ca 0.06 1.18 -0.11 0.00 -1.81 0.00 0.00 61.98 61.30 2k0a s VAL 45 Cb -0.17 -3.77 0.10 0.00 0.56 0.00 0.00 36.38 33.10 2k0a s VAL 45 CO 0.10 0.06 1.10 0.00 -0.31 0.00 0.00 175.10 176.05 2k0a h GLU 47 N -1.45 0.25 -0.82 0.00 4.81 -1.82 -0.73 114.58 114.82 2k0a h GLU 47 Ca -0.45 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 58.74 2k0a h GLU 47 Cb 1.25 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.54 2k0a h GLU 47 CO 0.49 0.17 0.44 -0.91 -0.73 0.00 0.00 179.01 178.46 2k0a h ASN 48 N 0.26 1.03 -0.68 1.04 4.21 -1.91 -0.62 115.58 118.92 2k0a h ASN 48 Ca 0.49 -0.10 -0.39 0.00 1.21 0.00 0.00 56.30 57.52 2k0a h ASN 48 Cb 0.92 -0.26 -0.15 0.00 -1.12 0.00 0.00 38.32 37.71 2k0a h ASN 48 CO -0.58 0.84 0.40 0.00 -1.29 0.00 0.00 177.43 176.80 2k0a n SER 50 N 0.53 0.00 0.31 0.00 7.64 -0.80 -4.06 113.62 117.24 2k0a n SER 50 Ca 0.37 0.00 0.18 0.00 1.01 0.00 0.00 58.87 60.44 2k0a n SER 50 Cb 0.58 0.00 1.03 0.00 -1.01 0.00 0.00 64.21 64.81 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 -1.13 1.43 -5.15 -1.25 -3.44 116.94 107.39 2k0a h PHE 51 Ca 0.00 0.00 0.20 0.00 -0.20 0.00 0.00 57.97 57.97 2k0a h PHE 51 Cb 0.00 0.00 -0.29 0.00 0.22 0.00 0.00 35.95 35.88 2k0a h PHE 51 CO 0.00 0.00 0.87 0.20 -2.00 0.00 0.00 178.31 177.38 2k0a s GLY 52 N -4.11 0.15 0.00 6.09 0.00 -1.26 -5.05 107.32 103.14 2k0a s GLY 52 Ca -0.05 3.04 0.00 0.00 0.00 0.00 0.00 44.72 47.71 2k0a s GLY 52 CO 0.49 1.47 0.00 0.58 0.00 0.00 0.00 173.10 175.63 2k0a n LYS 53 N 1.04 0.00 -0.62 2.90 2.85 -1.26 -4.41 118.16 118.66 2k0a n LYS 53 Ca -0.06 0.00 -0.05 0.00 -1.05 0.00 0.00 58.31 57.16 2k0a n LYS 53 Cb 0.58 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.89 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 0.00 1.25 0.00 -1.58 -0.06 -1.26 -3.33 117.38 112.40 2k0a n GLN 54 Ca 0.00 -0.40 0.00 0.00 -2.00 0.00 0.00 57.00 54.60 2k0a n GLN 54 Cb 0.00 -1.47 0.00 0.00 -4.06 0.00 0.00 30.24 24.71 2k0a n GLN 54 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2k0a n ALA 55 N 2.04 2.53 -0.07 1.69 0.00 -1.26 -3.95 120.51 121.49 2k0a n ALA 55 Ca 0.17 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.50 2k0a n ALA 55 Cb 0.59 0.13 -0.05 0.00 0.00 0.00 0.00 19.45 20.12 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 0.38 -7.06 0.00 1.57 -1.90 -3.37 116.57 106.18 2k0a h LYS 56 Ca 0.00 -0.12 -0.52 0.00 -1.87 0.00 0.00 60.65 58.14 2k0a h LYS 56 Cb 0.26 -0.04 0.10 0.00 0.08 0.00 0.00 32.23 32.64 2k0a h LYS 56 CO 0.00 0.57 0.50 0.54 -0.57 0.00 0.00 179.45 180.48 2k0a s ASN 57 N -5.88 5.49 -0.01 0.86 2.20 -1.26 -0.69 114.94 115.65 2k0a s ASN 57 Ca -0.14 2.42 -0.36 0.00 -0.94 0.00 0.00 52.86 53.84 2k0a s ASN 57 Cb 0.07 -2.60 -0.15 0.00 -2.00 0.00 0.00 41.25 36.57 2k0a s ASN 57 CO 0.74 -1.39 1.61 0.00 -2.94 0.00 0.00 177.10 175.11 2k0a h ILE 59 N 4.28 0.82 0.22 0.00 3.07 -0.82 0.46 117.51 125.54 2k0a h ILE 59 Ca -0.47 -0.74 -0.31 0.00 1.55 0.00 0.00 64.86 64.90 2k0a h ILE 59 Cb 1.30 1.44 0.03 0.00 -0.27 0.00 0.00 36.82 39.31 2k0a h ILE 59 CO 0.88 0.19 -1.39 0.40 -1.05 0.00 0.00 178.15 177.18 2k0a h ILE 60 N 0.00 1.26 -0.07 0.16 2.04 -1.85 -1.68 117.51 117.37 2k0a h ILE 60 Ca -0.00 -2.62 0.00 0.00 1.00 0.00 0.00 64.86 63.23 2k0a h ILE 60 Cb 0.42 3.02 0.00 0.00 -0.74 0.00 0.00 36.82 39.52 2k0a h ILE 60 CO 0.02 0.79 0.00 0.00 0.00 0.00 0.00 178.15 178.97 2k0a n ASN 62 N 0.36 -0.28 0.22 0.00 2.04 0.16 -4.48 115.26 113.28 2k0a n ASN 62 Ca 0.05 -0.60 0.00 0.00 -0.44 0.00 0.00 54.58 53.59 2k0a n ASN 62 Cb 0.23 -0.73 0.00 0.00 -2.53 0.00 0.00 39.78 36.75 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 -2.73 -3.37 -4.76 -4.53 -0.00 -1.26 -4.96 117.00 95.39 2k0a n LEU 63 Ca -0.12 0.82 -0.40 0.00 -0.00 0.00 0.00 56.01 56.31 2k0a n LEU 63 Cb 0.30 3.18 -0.03 0.00 -0.00 0.00 0.00 43.42 46.87 2k0a n LEU 63 CO 0.38 0.07 0.83 0.20 -0.00 0.00 0.00 177.39 178.86 2k0a s ASN 64 N -2.65 7.01 0.21 1.96 0.02 -1.26 -4.82 114.94 115.40 2k0a s ASN 64 Ca 0.00 2.33 -0.31 0.00 -1.02 0.00 0.00 52.86 53.87 2k0a s ASN 64 Cb 0.00 -2.62 -0.10 0.00 0.02 0.00 0.00 41.25 38.55 2k0a s ASN 64 CO 0.00 -0.33 1.48 0.54 0.02 0.00 0.00 177.10 178.80 2k0a s VAL 65 N -1.25 2.70 0.26 1.60 0.11 -1.26 -0.12 120.40 122.44 2k0a s VAL 65 Ca 0.49 0.55 -0.30 0.00 -2.93 0.00 0.00 61.98 59.79 2k0a s VAL 65 Cb -0.32 -3.35 -0.09 0.00 -1.53 0.00 0.00 36.38 31.08 2k0a s VAL 65 CO 0.41 0.07 1.02 -0.83 -3.33 0.00 0.00 175.10 172.44 2k0a s GLY 66 N 0.67 3.09 0.00 6.54 0.00 0.13 -3.99 107.32 113.77 2k0a s GLY 66 Ca 0.63 0.76 0.00 0.00 0.00 0.00 0.00 44.72 46.11 2k0a s GLY 66 CO 0.38 1.34 0.00 3.33 0.00 0.00 0.00 173.10 178.16 2k0a n VAL 67 N 1.32 0.00 -5.13 1.40 0.24 0.71 -4.82 118.33 112.05 2k0a n VAL 67 Ca -0.01 0.00 -0.32 0.00 -2.04 0.00 0.00 64.34 61.97 2k0a n VAL 67 Cb 0.46 -0.33 -0.15 0.00 -1.47 0.00 0.00 33.84 32.34 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 -3.61 3.41 0.33 -1.34 0.01 -0.63 -4.88 114.94 108.24 2k0a s ASN 68 Ca 0.00 -0.39 -0.29 0.00 -0.71 0.00 0.00 52.86 51.47 2k0a s ASN 68 Cb 0.00 -0.74 -0.11 0.00 0.41 0.00 0.00 41.25 40.81 2k0a s ASN 68 CO 0.00 0.29 1.40 -1.81 -1.51 0.00 0.00 177.10 175.47 2k0a s ASP 69 N -0.43 6.60 0.41 -1.22 1.01 -1.26 0.10 116.67 121.88 2k0a s ASP 69 Ca 0.05 2.82 -0.17 0.00 0.71 0.00 0.00 52.55 55.95 2k0a s ASP 69 Cb -0.12 -2.65 -0.09 0.00 1.01 0.00 0.00 42.92 41.07 2k0a s ASP 69 CO 0.01 -0.69 0.87 0.00 0.21 0.00 0.00 175.17 175.58 2k0a s ALA 70 N -0.93 3.16 -0.05 5.23 0.00 -0.24 -4.80 121.76 124.13 2k0a s ALA 70 Ca 0.52 0.19 0.04 0.00 0.00 0.00 0.00 51.96 52.71 2k0a s ALA 70 Cb -0.43 -2.98 -0.00 0.00 0.00 0.00 0.00 23.12 19.71 2k0a s ALA 70 CO 0.55 0.11 -0.19 -0.06 0.00 0.00 0.00 175.76 176.17 2k0a s PHE 71 N -2.22 1.89 0.05 0.00 0.40 -1.26 -0.73 117.98 116.11 2k0a s PHE 71 Ca 0.58 -0.59 -0.31 0.00 -0.60 0.00 0.00 56.93 56.01 2k0a s PHE 71 Cb -0.10 -1.27 -0.08 0.00 0.51 0.00 0.00 43.02 42.09 2k0a s PHE 71 CO 0.20 -0.21 1.59 0.71 0.70 0.00 0.00 175.22 178.20 2k0a s TYR 72 N 0.11 2.53 0.62 0.36 2.02 0.17 -4.32 117.35 118.84 2k0a s TYR 72 Ca -0.07 0.44 -0.18 0.00 -0.37 0.00 0.00 57.07 56.90 2k0a s TYR 72 Cb -0.13 -3.89 -0.02 0.00 -0.40 0.00 0.00 41.96 37.52 2k0a s TYR 72 CO 0.03 -3.52 1.18 0.00 -1.57 0.00 0.00 175.55 171.67 2k0a h TRP 74 N 0.58 0.89 -0.42 0.00 7.01 -0.03 0.60 115.95 124.59 2k0a h TRP 74 Ca -0.49 0.03 0.02 0.00 2.11 0.00 0.00 58.89 60.56 2k0a h TRP 74 Cb 1.28 -0.28 -0.03 0.00 -2.10 0.00 0.00 29.16 28.04 2k0a h TRP 74 CO 0.49 0.28 0.24 0.93 -2.79 0.00 0.00 178.44 177.58 2k0a h GLU 75 N 0.71 0.46 -0.18 2.65 5.08 -1.90 0.49 114.58 121.89 2k0a h GLU 75 Ca 0.50 -0.03 -0.19 0.00 -1.00 0.00 0.00 59.36 58.64 2k0a h GLU 75 Cb 0.82 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.96 2k0a h GLU 75 CO -0.26 0.31 -0.66 0.00 -1.00 0.00 0.00 179.01 177.40 2k0a h ARG 78 N 0.67 1.04 0.00 0.00 2.43 0.06 -0.80 114.38 117.77 2k0a h ARG 78 Ca 0.14 -0.18 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2k0a h ARG 78 Cb 0.32 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 2k0a h ARG 78 CO 0.01 0.85 0.00 1.28 -1.51 0.00 0.00 179.97 180.59 2k0a n LEU 79 N -4.39 0.00 -2.47 3.80 4.77 -0.74 -4.87 117.00 113.10 2k0a n LEU 79 Ca 0.06 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.84 2k0a n LEU 79 Cb 0.16 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.26 2k0a n LEU 79 CO 0.39 0.00 -0.10 0.61 -1.33 0.00 0.00 177.39 176.97 2k0a n GLY 80 N 0.75 -0.40 0.23 -0.72 0.00 -0.31 -4.87 105.19 99.87 2k0a n GLY 80 Ca 0.19 -0.02 0.13 0.00 0.00 0.00 0.00 46.02 46.31 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 -0.74 0.00 0.00 1.61 1.57 -0.99 -2.59 116.57 115.44 2k0a h LYS 81 Ca -0.46 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.28 2k0a h LYS 81 Cb 1.33 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.63 2k0a h LYS 81 CO 0.52 0.03 -0.19 0.38 -0.57 0.00 0.00 179.45 179.62 2k0a h ASP 82 N 0.00 0.00 1.01 0.86 3.04 -1.87 -1.87 116.42 117.58 2k0a h ASP 82 Ca -0.00 0.00 -0.07 0.00 -3.24 0.00 0.00 57.03 53.72 2k0a h ASP 82 Cb 0.91 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.19 2k0a h ASP 82 CO 0.00 0.19 -0.34 0.11 -2.04 0.00 0.00 179.24 177.16 2k0a h LYS 83 N 0.00 0.00 0.35 4.15 1.57 -1.82 -3.31 116.57 117.51 2k0a h LYS 83 Ca -0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2k0a h LYS 83 Cb 0.69 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.97 2k0a h LYS 83 CO 0.02 0.34 -0.42 -0.44 -0.57 0.00 0.00 179.45 178.39 2k0a h ASP 84 N 0.00 -1.15 0.00 0.86 5.19 -1.37 -3.49 116.42 116.45 2k0a h ASP 84 Ca -0.00 0.10 0.00 0.00 -0.62 0.00 0.00 57.03 56.51 2k0a h ASP 84 Cb 0.94 0.40 0.00 0.00 0.18 0.00 0.00 39.33 40.84 2k0a h ASP 84 CO 0.04 -0.55 0.00 0.61 -3.12 0.00 0.00 179.24 176.22 2k0a n GLY 85 N -1.50 -0.28 3.64 2.75 0.00 -1.25 -4.81 105.19 103.74 2k0a n GLY 85 Ca -0.10 -0.63 -0.43 0.00 0.00 0.00 0.00 46.02 44.87 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 7.81 1.27 -2.75 0.00 -0.04 -1.26 0.23 135.00 140.26 2k0a n PRO 87 Ca 0.21 -0.52 -0.42 0.00 -0.04 0.00 0.00 63.50 62.73 2k0a n PRO 87 Cb 0.44 -1.20 -0.03 0.00 -0.04 0.00 0.00 33.50 32.66 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 -0.60 4.29 -0.38 0.54 1.81 -1.26 -4.75 118.95 118.59 2k0a s ARG 88 Ca 0.10 1.23 -0.29 0.00 -1.72 0.00 0.00 55.73 55.05 2k0a s ARG 88 Cb 0.08 -3.61 0.02 0.00 -0.45 0.00 0.00 34.95 30.99 2k0a s ARG 88 CO -0.00 -0.49 1.19 0.42 -0.68 0.00 0.00 175.30 175.74 2k0a s ILE 89 N 2.69 4.24 -0.12 1.52 -1.09 -0.63 -0.30 121.20 127.52 2k0a s ILE 89 Ca 0.42 1.36 0.14 0.00 -2.23 0.00 0.00 60.65 60.34 2k0a s ILE 89 Cb -0.16 -4.40 -0.20 0.00 -1.58 0.00 0.00 42.46 36.12 2k0a s ILE 89 CO 0.10 -0.70 0.12 0.18 -1.23 0.00 0.00 174.94 173.41 2k0a n LEU 90 N 7.62 0.00 0.28 2.97 4.77 -0.88 -4.55 117.00 127.21 2k0a n LEU 90 Ca 0.13 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.23 2k0a n LEU 90 Cb 0.48 0.28 0.80 0.00 -2.33 0.00 0.00 43.42 42.65 2k0a n LEU 90 CO 0.66 0.28 1.09 -0.55 -1.33 0.00 0.00 177.39 177.55 2k0a h ASN 91 N 0.00 0.00 -2.70 -1.43 -1.07 -1.85 -3.42 115.58 105.11 2k0a h ASN 91 Ca -0.31 0.00 -0.54 0.00 0.07 0.00 0.00 56.30 55.52 2k0a h ASN 91 Cb 1.65 0.00 0.02 0.00 -2.07 0.00 0.00 38.32 37.91 2k0a h ASN 91 CO 0.02 0.01 0.99 -0.22 0.07 0.00 0.00 177.43 178.30 2k0a s LEU 92 N -8.17 4.36 -0.44 6.14 2.96 -1.26 -4.89 118.68 117.37 2k0a s LEU 92 Ca -0.05 2.42 -0.04 0.00 -0.22 0.00 0.00 54.13 56.24 2k0a s LEU 92 Cb 0.16 -3.56 -0.00 0.00 0.50 0.00 0.00 46.19 43.29 2k0a s LEU 92 CO 0.60 -0.88 2.92 0.61 -1.32 0.00 0.00 176.35 178.28 2k0a n GLY 93 N 3.98 4.14 3.42 7.98 0.00 -1.26 -4.74 105.19 118.71 2k0a n GLY 93 Ca 0.16 -1.76 -0.21 0.00 0.00 0.00 0.00 46.02 44.21 2k0a n GLY 93 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2k0a n SER 94 N 1.29 -6.18 0.00 1.61 7.64 -1.26 -3.12 113.62 113.60 2k0a n SER 94 Ca 0.49 -0.78 0.00 0.00 1.01 0.00 0.00 58.87 59.59 2k0a n SER 94 Cb 0.60 -4.36 0.00 0.00 -1.01 0.00 0.00 64.21 59.44 2k0a n SER 94 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2k0a n ASN 95 N -2.83 0.00 0.00 6.43 4.13 -1.26 -4.29 115.26 117.43 2k0a n ASN 95 Ca -0.08 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.18 2k0a n ASN 95 Cb 0.60 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.84 2k0a n ASN 95 CO 0.00 0.00 0.00 -1.14 0.28 0.00 0.00 177.26 176.40 2k0a n ARG 96 N 0.00 0.00 -3.65 3.52 3.00 -1.18 -5.08 116.66 113.26 2k0a n ARG 96 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 57.85 57.80 2k0a n ARG 96 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 32.46 32.39 2k0a n ARG 96 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2k0a s LEU 97 N -2.69 -0.91 0.21 6.15 1.43 -1.26 -4.92 118.68 116.69 2k0a s LEU 97 Ca 0.00 1.31 -0.30 0.00 -1.03 0.00 0.00 54.13 54.11 2k0a s LEU 97 Cb 0.00 1.88 -0.08 0.00 0.03 0.00 0.00 46.19 48.02 2k0a s LEU 97 CO 0.00 -0.23 0.98 -0.62 0.23 0.00 0.00 176.35 176.72 2k0a s ASP 98 N 2.72 7.53 -0.57 2.29 -1.08 -1.26 -4.04 116.67 122.26 2k0a s ASP 98 Ca -0.04 1.97 -0.02 0.00 -0.52 0.00 0.00 52.55 53.94 2k0a s ASP 98 Cb -0.12 -2.61 -0.02 0.00 -1.46 0.00 0.00 42.92 38.72 2k0a s ASP 98 CO -0.16 0.03 0.52 0.54 0.52 0.00 0.00 175.17 176.62 2k0a n ARG 99 N 1.85 -1.12 -1.64 4.34 1.74 -1.26 -4.90 116.66 115.66 2k0a n ARG 99 Ca -0.00 0.92 -0.50 0.00 -0.77 0.00 0.00 57.85 57.49 2k0a n ARG 99 Cb 0.47 -4.33 -0.05 0.00 -1.02 0.00 0.00 32.46 27.52 2k0a n ARG 99 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 2k0a n HIS 100 N -1.98 1.93 -1.12 -1.55 -0.00 -1.26 -4.80 115.22 106.45 2k0a n HIS 100 Ca -0.02 0.43 -0.43 0.00 -0.00 0.00 0.00 57.72 57.70 2k0a n HIS 100 Cb 0.53 -2.46 -0.06 0.00 -0.00 0.00 0.00 29.99 28.01 2k0a n HIS 100 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 2k0a n PHE 101 N 3.57 1.80 -3.64 1.57 7.35 -1.26 -4.74 117.46 122.11 2k0a n PHE 101 Ca 0.19 -1.77 -0.08 0.00 -0.76 0.00 0.00 57.45 55.03 2k0a n PHE 101 Cb 0.23 -1.67 -0.07 0.00 0.35 0.00 0.00 39.48 38.32 2k0a n PHE 101 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 2k0a s GLU 102 N 5.04 0.62 0.00 -4.13 0.41 -1.26 -4.52 118.70 114.85 2k0a s GLU 102 Ca 0.57 0.88 0.00 0.00 -0.41 0.00 0.00 54.97 56.01 2k0a s GLU 102 Cb 0.14 0.22 0.00 0.00 -1.78 0.00 0.00 34.13 32.72 2k0a s GLU 102 CO 0.12 -0.10 0.00 0.36 -0.49 0.00 0.00 175.26 175.15 2k0a n LYS 103 N 3.20 0.00 -1.40 1.61 0.00 -1.22 -4.95 118.16 115.41 2k0a n LYS 103 Ca -0.16 0.00 -0.32 0.00 -0.00 0.00 0.00 58.31 57.83 2k0a n LYS 103 Cb 0.57 0.00 0.08 0.00 -0.00 0.00 0.00 35.03 35.68 2k0a n LYS 103 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2k0a n LYS 104 N 0.00 2.76 -2.84 -1.58 5.02 0.35 -4.88 118.16 116.99 2k0a n LYS 104 Ca 0.00 -3.38 -0.01 0.00 -2.02 0.00 0.00 58.31 52.90 2k0a n LYS 104 Cb 0.00 -2.27 0.00 0.00 -0.02 0.00 0.00 35.03 32.74 2k0a n LYS 104 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2k0a n LYS 105 N -0.91 -1.16 -2.68 1.97 4.76 -1.26 -3.61 118.16 115.27 2k0a n LYS 105 Ca 0.60 1.32 -0.16 0.00 -2.87 0.00 0.00 58.31 57.21 2k0a n LYS 105 Cb 0.78 -5.14 0.02 0.00 -1.84 0.00 0.00 35.03 28.85 2k0a n LYS 105 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2k0a n LYS 106 N -1.72 -2.96 0.00 1.97 4.76 -1.26 -5.10 118.16 113.85 2k0a n LYS 106 Ca -0.00 0.66 0.00 0.00 -2.87 0.00 0.00 58.31 56.10 2k0a n LYS 106 Cb 0.50 -4.97 0.00 0.00 -1.84 0.00 0.00 35.03 28.72 2k0a n LYS 106 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31