#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 -0.37 0.00 -0.02 0.00 -1.26 -5.02 107.32 100.65 2k0a s GLY 0 Ca 0.00 1.20 -0.02 0.00 0.00 0.00 0.00 44.72 45.89 2k0a s GLY 0 CO 0.00 0.39 2.21 1.44 0.00 0.00 0.00 173.10 177.14 2k0a n SER 1 N -0.21 3.86 0.11 1.64 7.64 -1.26 -3.23 113.62 122.18 2k0a n SER 1 Ca -0.05 -2.13 0.00 0.00 1.01 0.00 0.00 58.87 57.70 2k0a n SER 1 Cb 0.60 -0.94 0.00 0.00 -1.01 0.00 0.00 64.21 62.86 2k0a n SER 1 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2k0a n SER 2 N 2.20 -1.99 -4.00 6.43 7.64 -1.26 -5.09 113.62 117.55 2k0a n SER 2 Ca 0.18 0.43 -0.40 0.00 1.01 0.00 0.00 58.87 60.09 2k0a n SER 2 Cb 0.54 2.10 0.01 0.00 -1.01 0.00 0.00 64.21 65.86 2k0a n SER 2 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 2k0a n ARG 3 N -2.96 -0.49 -1.08 1.43 1.85 -1.20 -4.82 116.66 109.39 2k0a n ARG 3 Ca 0.00 0.15 -0.15 0.00 -1.00 0.00 0.00 57.85 56.86 2k0a n ARG 3 Cb 0.00 -2.17 -0.13 0.00 -1.05 0.00 0.00 32.46 29.10 2k0a n ARG 3 CO 0.00 0.00 0.00 -2.39 -0.01 0.00 0.00 177.63 175.23 2k0a n HIS 4 N -4.35 0.38 0.00 2.89 1.44 -1.26 -4.56 115.22 109.76 2k0a n HIS 4 Ca -0.15 -1.58 0.00 0.00 -2.01 0.00 0.00 57.72 53.99 2k0a n HIS 4 Cb 0.55 -1.48 0.00 0.00 0.12 0.00 0.00 29.99 29.18 2k0a n HIS 4 CO 0.00 0.00 0.00 0.94 -2.81 0.00 0.00 176.34 174.47 2k0a n GLN 5 N 2.04 0.00 -3.57 -1.40 -0.06 -1.26 -5.19 117.38 107.94 2k0a n GLN 5 Ca 0.42 0.00 -0.05 0.00 -2.00 0.00 0.00 57.00 55.36 2k0a n GLN 5 Cb 0.81 0.00 -0.02 0.00 -4.06 0.00 0.00 30.24 26.97 2k0a n GLN 5 CO 0.00 0.00 0.00 0.12 -0.20 0.00 0.00 177.06 176.98 2k0a s PHE 6 N 2.35 -0.20 -0.90 3.69 5.36 -1.26 -5.03 117.98 121.98 2k0a s PHE 6 Ca 0.00 0.10 -0.06 0.00 -0.96 0.00 0.00 56.93 56.00 2k0a s PHE 6 Cb 0.00 0.54 -0.09 0.00 -0.34 0.00 0.00 43.02 43.13 2k0a s PHE 6 CO 0.00 -0.38 2.41 -0.25 -1.46 0.00 0.00 175.22 175.54 2k0a n ASP 7 N -0.21 5.56 -1.56 6.13 9.92 -1.26 -4.63 116.55 130.50 2k0a n ASP 7 Ca -0.04 -2.35 0.00 0.00 -0.53 0.00 0.00 54.79 51.87 2k0a n ASP 7 Cb 0.60 -1.18 0.00 0.00 -0.64 0.00 0.00 41.12 39.90 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 4.61 -0.83 0.64 4.77 -1.26 -2.68 117.00 126.01 2k0a n LEU 8 Ca 0.49 -2.08 0.05 0.00 -0.03 0.00 0.00 56.01 54.44 2k0a n LEU 8 Cb 0.25 -0.97 0.08 0.00 -2.33 0.00 0.00 43.42 40.45 2k0a n LEU 8 CO 0.63 0.87 0.26 -0.38 -1.33 0.00 0.00 177.39 177.44 2k0a n ILE 9 N 1.55 0.85 -4.52 -0.08 -0.00 -1.26 -4.94 119.36 110.95 2k0a n ILE 9 Ca 0.00 -1.54 -0.34 0.00 -0.00 0.00 0.00 62.75 60.87 2k0a n ILE 9 Cb 0.43 0.39 -0.11 0.00 -0.00 0.00 0.00 39.64 40.36 2k0a n ILE 9 CO 0.00 0.00 0.00 -0.32 -0.00 0.00 0.00 176.55 176.23 2k0a s MET 10 N -1.26 2.81 0.10 0.38 -2.45 -1.09 -1.10 119.30 116.69 2k0a s MET 10 Ca 0.27 -0.52 -0.22 0.00 -1.25 0.00 0.00 55.69 53.98 2k0a s MET 10 Cb 0.28 -2.65 -0.06 0.00 1.25 0.00 0.00 34.83 33.65 2k0a s MET 10 CO -0.08 0.67 1.37 0.00 1.05 0.00 0.00 175.02 178.04 2k0a n LEU 12 N -4.55 -1.87 -4.93 0.00 4.32 -0.10 -4.80 117.00 105.07 2k0a n LEU 12 Ca 0.00 -0.51 -0.20 0.00 -0.02 0.00 0.00 56.01 55.29 2k0a n LEU 12 Cb 0.19 -2.29 -0.01 0.00 -1.62 0.00 0.00 43.42 39.69 2k0a n LEU 12 CO -0.08 0.24 0.07 -1.59 -1.22 0.00 0.00 177.39 174.81 2k0a s LYS 13 N -6.18 2.62 0.01 3.23 -2.85 -1.26 -4.35 119.74 110.95 2k0a s LYS 13 Ca 0.48 -1.46 -0.32 0.00 -1.00 0.00 0.00 55.97 53.67 2k0a s LYS 13 Cb -0.25 -2.51 -0.11 0.00 -2.06 0.00 0.00 37.83 32.90 2k0a s LYS 13 CO 0.59 -0.26 1.87 0.94 0.10 0.00 0.00 175.35 178.59 2k0a n GLN 14 N -1.69 2.49 -2.24 1.78 -0.06 -1.26 -0.96 117.38 115.44 2k0a n GLN 14 Ca 0.05 0.91 -0.34 0.00 -2.00 0.00 0.00 57.00 55.62 2k0a n GLN 14 Cb 0.61 -2.79 0.00 0.00 -4.06 0.00 0.00 30.24 24.00 2k0a n GLN 14 CO 0.00 0.00 0.00 -2.14 -0.20 0.00 0.00 177.06 174.72 2k0a s PRO 15 N 3.66 3.37 0.00 3.69 0.02 -1.26 -4.38 135.00 140.10 2k0a s PRO 15 Ca 0.88 1.50 0.00 0.00 0.02 0.00 0.00 61.00 63.40 2k0a s PRO 15 Cb -0.58 -2.02 0.00 0.00 0.02 0.00 0.00 34.50 31.92 2k0a s PRO 15 CO 0.45 -0.81 0.00 0.41 -0.33 0.00 0.00 177.00 176.72 2k0a n GLY 16 N -0.10 0.72 0.34 0.52 0.00 0.62 -4.75 105.19 102.52 2k0a n GLY 16 Ca 0.11 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.92 2k0a n GLY 16 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2k0a n VAL 17 N 0.00 1.11 -1.74 1.61 0.31 -1.26 -4.87 118.33 113.49 2k0a n VAL 17 Ca 0.00 -0.30 -0.36 0.00 -0.01 0.00 0.00 64.34 63.67 2k0a n VAL 17 Cb 0.00 -1.70 0.06 0.00 -0.91 0.00 0.00 33.84 31.29 2k0a n VAL 17 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 2k0a s GLN 18 N -2.37 2.57 0.27 5.55 -0.21 -1.26 -4.86 119.66 119.34 2k0a s GLN 18 Ca -0.28 1.92 -0.24 0.00 0.02 0.00 0.00 55.36 56.78 2k0a s GLN 18 Cb 0.10 -1.87 -0.09 0.00 1.00 0.00 0.00 33.01 32.16 2k0a s GLN 18 CO 0.37 -1.55 0.86 0.99 -2.12 0.00 0.00 175.29 173.84 2k0a s THR 19 N -1.59 4.33 -0.02 -0.19 2.01 -1.26 -1.40 115.64 117.51 2k0a s THR 19 Ca 0.79 1.67 -0.30 0.00 0.31 0.00 0.00 61.69 64.16 2k0a s THR 19 Cb -0.33 -4.00 -0.04 0.00 0.01 0.00 0.00 72.50 68.13 2k0a s THR 19 CO 0.39 0.24 1.22 -0.83 -0.69 0.00 0.00 174.62 174.94 2k0a s GLY 20 N -1.54 2.17 -0.07 4.40 0.00 -0.91 -4.69 107.32 106.68 2k0a s GLY 20 Ca 0.46 0.70 -0.13 0.00 0.00 0.00 0.00 44.72 45.75 2k0a s GLY 20 CO 0.24 2.19 0.33 1.08 0.00 0.00 0.00 173.10 176.93 2k0a s LEU 21 N 1.92 4.38 0.05 0.66 1.43 -1.26 -1.89 118.68 123.98 2k0a s LEU 21 Ca 0.57 0.73 -0.02 0.00 -1.03 0.00 0.00 54.13 54.39 2k0a s LEU 21 Cb -0.26 -2.43 -0.04 0.00 0.03 0.00 0.00 46.19 43.48 2k0a s LEU 21 CO 0.24 0.26 0.24 -0.76 0.23 0.00 0.00 176.35 176.56 2k0a s LEU 22 N -0.55 4.35 0.35 1.79 1.43 0.34 0.28 118.68 126.67 2k0a s LEU 22 Ca 0.20 0.36 -0.07 0.00 -1.03 0.00 0.00 54.13 53.59 2k0a s LEU 22 Cb -0.15 -2.92 -0.06 0.00 0.03 0.00 0.00 46.19 43.10 2k0a s LEU 22 CO 0.09 0.18 0.66 0.00 0.23 0.00 0.00 176.35 177.50 2k0a h GLU 24 N 1.43 0.00 -0.27 0.00 4.39 -1.97 0.82 114.58 118.97 2k0a h GLU 24 Ca -0.47 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.09 2k0a h GLU 24 Cb 1.19 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.83 2k0a h GLU 24 CO 0.65 0.00 -0.39 0.87 -1.16 0.00 0.00 179.01 178.98 2k0a h LYS 25 N 0.00 0.63 -1.01 2.33 1.79 -1.96 -2.62 116.57 115.73 2k0a h LYS 25 Ca 0.35 -0.32 -0.56 0.00 -2.18 0.00 0.00 60.65 57.94 2k0a h LYS 25 Cb 1.46 0.00 -0.29 0.00 -1.58 0.00 0.00 32.23 31.82 2k0a h LYS 25 CO -0.00 0.92 0.72 0.00 -1.08 0.00 0.00 179.45 180.01 2k0a s ASP 27 N -1.42 6.49 -0.65 0.00 2.15 -0.88 -2.91 116.67 119.45 2k0a s ASP 27 Ca 0.58 2.39 -0.01 0.00 0.43 0.00 0.00 52.55 55.94 2k0a s ASP 27 Cb 0.48 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.57 2k0a s ASP 27 CO 0.06 -1.05 0.09 0.61 -0.17 0.00 0.00 175.17 174.71 2k0a n GLY 28 N 4.43 0.11 3.54 2.66 0.00 -1.26 -5.02 105.19 109.65 2k0a n GLY 28 Ca 0.19 -0.51 -0.36 0.00 0.00 0.00 0.00 46.02 45.34 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 -4.62 3.83 -0.09 1.61 1.02 -1.15 -3.96 119.74 116.39 2k0a s LYS 29 Ca 0.04 -0.40 -0.29 0.00 0.02 0.00 0.00 55.97 55.35 2k0a s LYS 29 Cb -0.02 -3.38 -0.06 0.00 -0.52 0.00 0.00 37.83 33.84 2k0a s LYS 29 CO 0.05 -0.05 1.98 0.00 -0.92 0.00 0.00 175.35 176.41 2k0a n PRO 31 N 7.95 1.35 0.00 0.00 -0.02 -1.26 -1.21 135.00 141.80 2k0a n PRO 31 Ca 0.23 -0.68 0.00 0.00 -2.02 0.00 0.00 63.50 61.03 2k0a n PRO 31 Cb 0.43 -1.84 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 2k0a n PRO 31 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2k0a n ILE 32 N 2.69 0.00 0.18 4.25 2.08 -1.26 -4.74 119.36 122.56 2k0a n ILE 32 Ca 0.29 0.00 0.04 0.00 0.56 0.00 0.00 62.75 63.64 2k0a n ILE 32 Cb 0.60 -0.21 -0.05 0.00 -0.75 0.00 0.00 39.64 39.23 2k0a n ILE 32 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2k0a n ASP 34 N -1.46 -6.24 -3.58 0.00 -0.08 -0.35 -5.03 116.55 99.81 2k0a n ASP 34 Ca 0.00 0.44 -0.12 0.00 -1.51 0.00 0.00 54.79 53.60 2k0a n ASP 34 Cb 0.16 -4.12 -0.06 0.00 2.34 0.00 0.00 41.12 39.44 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 -2.05 -0.49 -0.05 1.67 0.15 -1.26 -4.91 113.70 106.76 2k0a s SER 35 Ca 0.16 0.68 0.09 0.00 0.70 0.00 0.00 55.95 57.58 2k0a s SER 35 Cb -0.04 0.59 0.35 0.00 -1.71 0.00 0.00 66.02 65.21 2k0a s SER 35 CO 0.55 -0.36 1.20 -1.22 1.20 0.00 0.00 173.24 174.61 2k0a n TYR 36 N 1.28 0.71 -1.97 3.44 4.02 -1.25 -0.80 117.16 122.58 2k0a n TYR 36 Ca -0.13 -0.29 -0.36 0.00 -0.01 0.00 0.00 57.90 57.11 2k0a n TYR 36 Cb 0.57 -0.12 0.04 0.00 -0.02 0.00 0.00 39.34 39.80 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 -1.66 2.63 -0.13 -0.72 0.11 -1.26 -4.83 120.40 114.53 2k0a s VAL 37 Ca 0.25 0.38 -0.37 0.00 -2.93 0.00 0.00 61.98 59.32 2k0a s VAL 37 Cb 0.16 -3.12 -0.17 0.00 -1.53 0.00 0.00 36.38 31.71 2k0a s VAL 37 CO 0.13 -0.09 1.08 -2.11 -3.33 0.00 0.00 175.10 170.77 2k0a n ARG 38 N -1.69 0.00 0.00 1.54 1.85 -1.26 -4.70 116.66 112.39 2k0a n ARG 38 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.98 2k0a n ARG 38 Cb 0.50 -1.31 0.00 0.00 -1.05 0.00 0.00 32.46 30.59 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 1.97 0.35 0.03 2.89 -0.02 -1.26 -0.36 135.00 138.61 2k0a n PRO 39 Ca 0.20 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 2k0a n PRO 39 Cb 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.51 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 -0.50 0.00 -3.89 -0.52 3.00 0.40 -2.95 118.16 113.69 2k0a n LYS 40 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 58.20 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 0.06 0.32 1.64 0.52 -1.15 -4.97 118.95 113.36 2k0a s ARG 41 Ca 0.00 -0.11 -0.29 0.00 -0.52 0.00 0.00 55.73 54.81 2k0a s ARG 41 Cb 0.00 0.02 -0.10 0.00 0.52 0.00 0.00 34.95 35.39 2k0a s ARG 41 CO 0.00 -0.01 1.25 0.21 0.02 0.00 0.00 175.30 176.76 2k0a s LYS 42 N -0.27 4.42 0.42 3.54 2.20 -1.26 0.49 119.74 129.27 2k0a s LYS 42 Ca -0.03 2.09 -0.22 0.00 -0.36 0.00 0.00 55.97 57.45 2k0a s LYS 42 Cb -0.02 -3.09 -0.10 0.00 -1.51 0.00 0.00 37.83 33.11 2k0a s LYS 42 CO -0.00 -0.08 0.99 0.14 -0.36 0.00 0.00 175.35 176.03 2k0a s VAL 43 N -1.15 4.10 -0.09 4.02 -7.23 0.53 -4.79 120.40 115.79 2k0a s VAL 43 Ca 0.48 1.43 0.03 0.00 -1.81 0.00 0.00 61.98 62.11 2k0a s VAL 43 Cb -0.37 -3.65 0.01 0.00 0.56 0.00 0.00 36.38 32.93 2k0a s VAL 43 CO 0.49 -0.16 -0.19 -0.13 -0.31 0.00 0.00 175.10 174.80 2k0a s ARG 44 N -2.88 2.49 0.11 4.82 3.00 -1.26 -2.14 118.95 123.10 2k0a s ARG 44 Ca 0.60 -0.68 -0.09 0.00 0.00 0.00 0.00 55.73 55.56 2k0a s ARG 44 Cb -0.15 -1.96 -0.06 0.00 0.00 0.00 0.00 34.95 32.79 2k0a s ARG 44 CO 0.19 0.09 0.42 0.14 0.00 0.00 0.00 175.30 176.15 2k0a s VAL 45 N 0.55 5.07 0.90 3.52 -7.23 -0.49 -4.22 120.40 118.49 2k0a s VAL 45 Ca -0.16 0.41 -0.12 0.00 -1.81 0.00 0.00 61.98 60.31 2k0a s VAL 45 Cb -0.17 -3.65 0.13 0.00 0.56 0.00 0.00 36.38 33.26 2k0a s VAL 45 CO 0.05 0.20 1.09 0.00 -0.31 0.00 0.00 175.10 176.14 2k0a h GLU 47 N -1.56 1.16 -2.01 0.00 4.81 -1.86 -2.74 114.58 112.38 2k0a h GLU 47 Ca -0.50 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 58.66 2k0a h GLU 47 Cb 1.29 -0.26 -0.00 0.00 0.63 0.00 0.00 28.75 30.40 2k0a h GLU 47 CO 0.55 0.77 -0.00 0.09 -0.73 0.00 0.00 179.01 179.68 2k0a n ASN 48 N -4.48 3.88 0.05 1.04 5.03 -1.26 -2.07 115.26 117.45 2k0a n ASN 48 Ca 0.11 -2.03 0.00 0.00 0.87 0.00 0.00 54.58 53.53 2k0a n ASN 48 Cb 0.04 -0.83 0.00 0.00 -1.02 0.00 0.00 39.78 37.98 2k0a n ASN 48 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2k0a n SER 50 N -2.73 7.62 0.07 0.00 7.64 -1.15 -4.27 113.62 120.79 2k0a n SER 50 Ca 0.00 -3.81 -0.07 0.00 1.01 0.00 0.00 58.87 56.00 2k0a n SER 50 Cb 0.00 -1.01 0.09 0.00 -1.01 0.00 0.00 64.21 62.28 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 2.42 0.41 0.00 1.43 -5.15 -1.69 -3.48 116.94 110.87 2k0a h PHE 51 Ca 0.59 -0.16 0.00 0.00 -0.20 0.00 0.00 57.97 58.20 2k0a h PHE 51 Cb 0.49 -0.07 0.00 0.00 0.22 0.00 0.00 35.95 36.59 2k0a h PHE 51 CO 1.33 0.85 0.00 0.41 -2.00 0.00 0.00 178.31 178.89 2k0a n GLY 52 N 0.31 -1.47 3.77 6.09 0.00 -1.26 -5.10 105.19 107.54 2k0a n GLY 52 Ca -0.03 0.54 -0.38 0.00 0.00 0.00 0.00 46.02 46.15 2k0a n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k0a s LYS 53 N 0.00 4.55 -1.56 1.61 1.02 -1.26 -3.74 119.74 120.35 2k0a s LYS 53 Ca 0.00 1.52 -0.01 0.00 0.02 0.00 0.00 55.97 57.50 2k0a s LYS 53 Cb 0.00 -2.92 0.01 0.00 -0.52 0.00 0.00 37.83 34.40 2k0a s LYS 53 CO 0.00 0.20 0.05 0.00 -0.92 0.00 0.00 175.35 174.69 2k0a n GLN 54 N 0.74 -1.03 -0.04 1.68 0.00 -1.26 -4.86 117.38 112.61 2k0a n GLN 54 Ca 0.01 0.11 -0.21 0.00 0.00 0.00 0.00 57.00 56.91 2k0a n GLN 54 Cb 0.48 -3.69 -0.13 0.00 0.00 0.00 0.00 30.24 26.90 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 -4.55 0.98 -0.12 2.61 0.00 -1.25 -4.38 120.51 113.81 2k0a n ALA 55 Ca -0.30 -0.69 -0.08 0.00 0.00 0.00 0.00 53.44 52.36 2k0a n ALA 55 Cb 0.69 -0.52 0.12 0.00 0.00 0.00 0.00 19.45 19.73 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 -3.62 2.00 -3.55 0.00 5.02 -1.26 -4.66 118.16 112.08 2k0a n LYS 56 Ca -0.36 -1.59 -0.32 0.00 -2.02 0.00 0.00 58.31 54.03 2k0a n LYS 56 Cb 0.98 -1.69 -0.05 0.00 -0.02 0.00 0.00 35.03 34.25 2k0a n LYS 56 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2k0a s ASN 57 N -0.25 6.56 0.06 4.39 2.20 -1.26 -0.10 114.94 126.55 2k0a s ASN 57 Ca 0.29 0.75 -0.37 0.00 -0.94 0.00 0.00 52.86 52.59 2k0a s ASN 57 Cb 0.24 -2.16 -0.17 0.00 -2.00 0.00 0.00 41.25 37.17 2k0a s ASN 57 CO 0.06 0.00 1.37 0.00 -2.94 0.00 0.00 177.10 175.60 2k0a h ILE 59 N 3.45 1.22 0.02 0.00 3.07 -0.50 0.56 117.51 125.33 2k0a h ILE 59 Ca -0.48 -1.03 -0.08 0.00 1.55 0.00 0.00 64.86 64.83 2k0a h ILE 59 Cb 1.33 1.42 0.01 0.00 -0.27 0.00 0.00 36.82 39.31 2k0a h ILE 59 CO 0.79 0.31 -0.32 0.40 -1.05 0.00 0.00 178.15 178.28 2k0a h ILE 60 N 0.16 1.58 -0.01 0.16 2.04 -1.81 -2.44 117.51 117.19 2k0a h ILE 60 Ca 0.03 -2.12 0.00 0.00 1.00 0.00 0.00 64.86 63.77 2k0a h ILE 60 Cb 0.52 2.93 0.00 0.00 -0.74 0.00 0.00 36.82 39.54 2k0a h ILE 60 CO 0.04 0.58 -0.21 0.00 0.00 0.00 0.00 178.15 178.56 2k0a n ASN 62 N -0.21 0.37 0.13 0.00 6.94 0.20 -4.67 115.26 118.02 2k0a n ASN 62 Ca 0.04 -1.27 0.00 0.00 -0.02 0.00 0.00 54.58 53.33 2k0a n ASN 62 Cb 0.22 -1.60 0.00 0.00 -2.36 0.00 0.00 39.78 36.04 2k0a n ASN 62 CO 0.00 0.00 0.00 -0.11 -1.03 0.00 0.00 177.26 176.12 2k0a n LEU 63 N -4.48 -1.15 -4.79 -4.53 -0.00 -1.26 -4.92 117.00 95.87 2k0a n LEU 63 Ca -0.24 0.48 -0.36 0.00 -0.00 0.00 0.00 56.01 55.89 2k0a n LEU 63 Cb 0.65 1.23 -0.05 0.00 -0.00 0.00 0.00 43.42 45.25 2k0a n LEU 63 CO 0.87 -0.45 0.71 0.20 -0.00 0.00 0.00 177.39 178.72 2k0a s ASN 64 N -4.02 6.85 0.18 1.96 0.01 -1.26 -4.83 114.94 113.82 2k0a s ASN 64 Ca 0.00 1.94 -0.31 0.00 -0.71 0.00 0.00 52.86 53.78 2k0a s ASN 64 Cb 0.00 -2.58 -0.10 0.00 0.41 0.00 0.00 41.25 38.99 2k0a s ASN 64 CO 0.00 -0.43 1.51 -0.69 -1.51 0.00 0.00 177.10 175.98 2k0a s VAL 65 N -1.76 2.71 0.26 1.60 1.01 -1.26 0.13 120.40 123.09 2k0a s VAL 65 Ca 0.58 0.53 -0.30 0.00 0.00 0.00 0.00 61.98 62.80 2k0a s VAL 65 Cb -0.19 -3.34 -0.09 0.00 0.00 0.00 0.00 36.38 32.76 2k0a s VAL 65 CO 0.24 0.05 1.08 -0.83 0.00 0.00 0.00 175.10 175.64 2k0a s GLY 66 N 0.93 3.05 0.00 4.51 0.00 0.86 -4.34 107.32 112.32 2k0a s GLY 66 Ca 0.66 0.85 0.00 0.00 0.00 0.00 0.00 44.72 46.24 2k0a s GLY 66 CO 0.34 1.48 0.00 3.33 0.00 0.00 0.00 173.10 178.26 2k0a n VAL 67 N 1.38 0.00 -3.68 1.40 0.24 0.16 -4.85 118.33 112.98 2k0a n VAL 67 Ca -0.01 0.00 -0.37 0.00 -2.04 0.00 0.00 64.34 61.92 2k0a n VAL 67 Cb 0.45 -0.21 -0.06 0.00 -1.47 0.00 0.00 33.84 32.55 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 -3.43 6.57 0.08 -1.34 -0.87 -0.29 -4.87 114.94 110.80 2k0a s ASN 68 Ca 0.00 0.68 -0.31 0.00 -1.57 0.00 0.00 52.86 51.67 2k0a s ASN 68 Cb 0.00 -2.16 -0.06 0.00 -0.02 0.00 0.00 41.25 39.01 2k0a s ASN 68 CO 0.00 0.34 1.27 -1.81 -2.57 0.00 0.00 177.10 174.33 2k0a s ASP 69 N -0.90 6.99 0.41 -1.22 1.01 -1.26 0.13 116.67 121.82 2k0a s ASP 69 Ca 0.19 2.13 -0.22 0.00 0.71 0.00 0.00 52.55 55.36 2k0a s ASP 69 Cb -0.14 -2.58 -0.11 0.00 1.01 0.00 0.00 42.92 41.10 2k0a s ASP 69 CO 0.08 -0.54 0.94 0.00 0.21 0.00 0.00 175.17 175.86 2k0a s ALA 70 N 1.09 3.08 -0.05 5.23 0.00 -0.79 -4.83 121.76 125.49 2k0a s ALA 70 Ca 0.61 0.41 0.03 0.00 0.00 0.00 0.00 51.96 53.01 2k0a s ALA 70 Cb -0.32 -3.14 0.00 0.00 0.00 0.00 0.00 23.12 19.66 2k0a s ALA 70 CO 0.29 0.15 -0.14 -0.06 0.00 0.00 0.00 175.76 176.00 2k0a s PHE 71 N -2.07 1.49 0.17 0.00 0.40 -1.26 -0.34 117.98 116.37 2k0a s PHE 71 Ca 0.59 -0.46 -0.31 0.00 -0.60 0.00 0.00 56.93 56.16 2k0a s PHE 71 Cb -0.11 -1.04 -0.09 0.00 0.51 0.00 0.00 43.02 42.30 2k0a s PHE 71 CO 0.15 -0.19 1.38 0.71 0.70 0.00 0.00 175.22 177.97 2k0a s TYR 72 N 0.26 3.20 0.63 0.36 2.02 0.18 -4.42 117.35 119.57 2k0a s TYR 72 Ca -0.07 1.04 -0.17 0.00 -0.37 0.00 0.00 57.07 57.51 2k0a s TYR 72 Cb -0.12 -3.69 -0.02 0.00 -0.40 0.00 0.00 41.96 37.73 2k0a s TYR 72 CO 0.02 -2.31 1.13 0.00 -1.57 0.00 0.00 175.55 172.83 2k0a h TRP 74 N 0.42 0.93 -0.40 0.00 7.01 -0.58 -1.21 115.95 122.12 2k0a h TRP 74 Ca -0.48 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 60.54 2k0a h TRP 74 Cb 1.26 -0.29 -0.02 0.00 -2.10 0.00 0.00 29.16 28.01 2k0a h TRP 74 CO 0.52 0.30 0.24 0.93 -2.79 0.00 0.00 178.44 177.65 2k0a h GLU 75 N 0.75 0.55 -0.41 2.65 5.08 -1.91 0.15 114.58 121.44 2k0a h GLU 75 Ca 0.50 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.70 2k0a h GLU 75 Cb 0.77 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 2k0a h GLU 75 CO -0.26 0.40 -0.21 0.00 -1.00 0.00 0.00 179.01 177.94 2k0a h ARG 78 N 0.90 -0.03 0.00 0.00 9.65 -0.53 -2.46 114.38 121.92 2k0a h ARG 78 Ca 0.23 0.00 -0.10 0.00 -1.10 0.00 0.00 59.98 59.01 2k0a h ARG 78 Cb 0.07 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.64 2k0a h ARG 78 CO -0.03 -0.02 -0.46 -0.07 2.80 0.00 0.00 179.97 182.19 2k0a h LEU 79 N -0.03 0.00 -0.05 3.80 -0.00 -1.28 -3.47 115.31 114.29 2k0a h LEU 79 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.94 2k0a h LEU 79 Cb 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.78 2k0a h LEU 79 CO -0.13 0.46 0.00 0.61 -0.00 0.00 0.00 178.44 179.38 2k0a n GLY 80 N 0.23 0.88 0.11 0.83 0.00 0.35 -4.95 105.19 102.64 2k0a n GLY 80 Ca -0.01 -0.60 -0.02 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.35 -3.21 116.57 114.73 2k0a h LYS 81 Ca 0.00 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 2k0a h LYS 81 Cb 0.69 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 2k0a h LYS 81 CO 0.00 0.71 -0.09 0.38 -0.57 0.00 0.00 179.45 179.88 2k0a h ASP 82 N 0.00 0.87 -0.21 0.86 2.03 -1.89 -2.90 116.42 115.18 2k0a h ASP 82 Ca -0.01 -0.35 -0.09 0.00 -0.73 0.00 0.00 57.03 55.85 2k0a h ASP 82 Cb 1.50 -0.24 -0.05 0.00 -0.83 0.00 0.00 39.33 39.71 2k0a h ASP 82 CO 0.09 1.02 0.11 0.29 -1.03 0.00 0.00 179.24 179.72 2k0a n LYS 83 N -4.28 1.54 -0.06 4.15 4.76 -1.21 -3.79 118.16 119.28 2k0a n LYS 83 Ca -0.00 -0.77 -0.09 0.00 -2.87 0.00 0.00 58.31 54.58 2k0a n LYS 83 Cb 0.37 -1.43 -0.08 0.00 -1.84 0.00 0.00 35.03 32.05 2k0a n LYS 83 CO 0.00 0.00 0.00 0.22 -1.37 0.00 0.00 177.40 176.25 2k0a h ASP 84 N 0.51 0.00 0.00 4.39 1.82 -1.60 -3.51 116.42 118.03 2k0a h ASP 84 Ca 0.11 -0.62 0.00 0.00 -0.39 0.00 0.00 57.03 56.12 2k0a h ASP 84 Cb 1.27 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.28 2k0a h ASP 84 CO 0.23 0.83 0.00 0.61 -1.61 0.00 0.00 179.24 179.30 2k0a n GLY 85 N 1.67 -0.82 3.67 -0.78 0.00 -1.25 -4.69 105.19 102.98 2k0a n GLY 85 Ca -0.07 -0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 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 6.78 1.40 -4.01 0.00 -0.04 -1.26 -0.92 135.00 136.95 2k0a n PRO 87 Ca 0.17 -0.48 -0.34 0.00 -0.04 0.00 0.00 63.50 62.80 2k0a n PRO 87 Cb 0.43 -1.38 -0.06 0.00 -0.04 0.00 0.00 33.50 32.44 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 0.15 3.27 -0.22 0.54 1.81 -1.26 -4.61 118.95 118.62 2k0a s ARG 88 Ca 0.25 -0.33 -0.15 0.00 -1.72 0.00 0.00 55.73 53.77 2k0a s ARG 88 Cb 0.13 -3.01 -0.04 0.00 -0.45 0.00 0.00 34.95 31.58 2k0a s ARG 88 CO -0.01 0.70 0.38 0.42 -0.68 0.00 0.00 175.30 176.11 2k0a s ILE 89 N -1.16 5.20 0.00 1.52 -1.09 -0.92 0.01 121.20 124.76 2k0a s ILE 89 Ca 0.21 0.64 0.00 0.00 -2.23 0.00 0.00 60.65 59.28 2k0a s ILE 89 Cb -0.12 -3.71 0.00 0.00 -1.58 0.00 0.00 42.46 37.05 2k0a s ILE 89 CO 0.12 0.22 0.00 0.00 -1.23 0.00 0.00 174.94 174.05 2k0a n LEU 90 N 4.74 0.00 -0.04 2.97 -0.00 -0.26 -4.85 117.00 119.57 2k0a n LEU 90 Ca -0.09 0.00 -0.01 0.00 -0.00 0.00 0.00 56.01 55.91 2k0a n LEU 90 Cb 0.51 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.92 2k0a n LEU 90 CO 0.39 0.00 0.08 -3.20 -0.00 0.00 0.00 177.39 174.66 2k0a n ASN 91 N -0.44 -0.09 -3.62 1.45 2.85 -0.79 -4.59 115.26 110.02 2k0a n ASN 91 Ca 0.00 0.23 -0.12 0.00 -0.11 0.00 0.00 54.58 54.58 2k0a n ASN 91 Cb 0.00 -0.06 -0.07 0.00 1.24 0.00 0.00 39.78 40.90 2k0a n ASN 91 CO 0.00 0.00 0.00 -1.48 -2.11 0.00 0.00 177.26 173.67 2k0a s LEU 92 N -6.52 -0.56 -0.25 1.20 0.05 -1.26 -5.08 118.68 106.26 2k0a s LEU 92 Ca -0.01 1.01 -0.10 0.00 0.05 0.00 0.00 54.13 55.08 2k0a s LEU 92 Cb 0.01 2.12 -0.05 0.00 -2.05 0.00 0.00 46.19 46.23 2k0a s LEU 92 CO 0.05 -0.23 0.15 -0.83 -0.55 0.00 0.00 176.35 174.94 2k0a s GLY 93 N 0.05 1.93 0.00 -3.48 0.00 -1.26 -4.60 107.32 99.96 2k0a s GLY 93 Ca 0.01 -0.99 0.00 0.00 0.00 0.00 0.00 44.72 43.74 2k0a s GLY 93 CO -0.02 0.49 0.00 1.44 0.00 0.00 0.00 173.10 175.01 2k0a n SER 94 N 4.62 0.00 -4.75 1.64 7.64 -1.26 -4.88 113.62 116.63 2k0a n SER 94 Ca -0.15 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.32 2k0a n SER 94 Cb 0.52 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.70 2k0a n SER 94 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 2k0a s ASN 95 N 0.00 6.53 0.00 6.43 -0.87 -1.26 -4.98 114.94 120.79 2k0a s ASN 95 Ca 0.00 2.81 0.00 0.00 -1.57 0.00 0.00 52.86 54.10 2k0a s ASN 95 Cb 0.00 -2.63 0.00 0.00 -0.02 0.00 0.00 41.25 38.60 2k0a s ASN 95 CO 0.00 -0.78 0.00 0.54 -2.57 0.00 0.00 177.10 174.29 2k0a n ARG 96 N 1.98 3.04 -0.46 -0.60 5.12 -1.26 -4.65 116.66 119.83 2k0a n ARG 96 Ca 0.06 0.00 -0.09 0.00 -1.93 0.00 0.00 57.85 55.89 2k0a n ARG 96 Cb 0.39 0.00 0.07 0.00 -1.16 0.00 0.00 32.46 31.76 2k0a n ARG 96 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 2k0a n LEU 97 N 0.00 4.41 -4.74 0.55 4.77 -1.26 -4.87 117.00 115.86 2k0a n LEU 97 Ca 0.00 -2.30 -0.41 0.00 -0.03 0.00 0.00 56.01 53.28 2k0a n LEU 97 Cb 0.00 -0.63 -0.04 0.00 -2.33 0.00 0.00 43.42 40.42 2k0a n LEU 97 CO 0.00 0.71 0.74 -0.62 -1.33 0.00 0.00 177.39 176.89 2k0a s ASP 98 N 0.14 7.38 -1.34 -1.43 -1.08 -1.26 -2.82 116.67 116.26 2k0a s ASP 98 Ca 0.21 2.01 -0.06 0.00 -0.52 0.00 0.00 52.55 54.20 2k0a s ASP 98 Cb 0.18 -2.60 0.01 0.00 -1.46 0.00 0.00 42.92 39.04 2k0a s ASP 98 CO 0.04 -0.12 0.76 -1.14 0.52 0.00 0.00 175.17 175.23 2k0a n ARG 99 N 2.25 -5.53 0.00 4.34 0.63 -1.26 -4.86 116.66 112.23 2k0a n ARG 99 Ca 0.02 0.80 0.00 0.00 -0.92 0.00 0.00 57.85 57.74 2k0a n ARG 99 Cb 0.47 -5.52 0.00 0.00 0.45 0.00 0.00 32.46 27.86 2k0a n ARG 99 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 2k0a n HIS 100 N -4.55 0.00 0.00 -0.14 8.25 -1.13 -5.06 115.22 112.60 2k0a n HIS 100 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 2k0a n HIS 100 Cb 0.59 0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.74 2k0a n HIS 100 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 2k0a n PHE 101 N -2.58 0.00 -3.19 4.41 3.01 -1.25 -4.79 117.46 113.08 2k0a n PHE 101 Ca 0.00 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.23 2k0a n PHE 101 Cb 0.40 0.00 0.04 0.00 -0.01 0.00 0.00 39.48 39.92 2k0a n PHE 101 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 2k0a n GLU 102 N 0.00 -5.60 0.00 -1.08 1.02 -1.26 -4.72 120.64 109.00 2k0a n GLU 102 Ca 0.00 0.87 0.00 0.00 -0.02 0.00 0.00 57.16 58.01 2k0a n GLU 102 Cb 0.00 -5.78 0.00 0.00 -0.02 0.00 0.00 31.44 25.64 2k0a n GLU 102 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2k0a n LYS 103 N -4.27 0.00 -4.35 3.49 5.02 -1.26 -5.09 118.16 111.70 2k0a n LYS 103 Ca -0.08 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 55.97 2k0a n LYS 103 Cb 0.60 -0.03 -0.12 0.00 -0.02 0.00 0.00 35.03 35.47 2k0a n LYS 103 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2k0a s LYS 104 N -1.93 1.31 0.04 1.97 1.02 -1.26 -5.09 119.74 115.80 2k0a s LYS 104 Ca 0.00 -1.37 -0.30 0.00 0.02 0.00 0.00 55.97 54.31 2k0a s LYS 104 Cb 0.00 -1.54 -0.07 0.00 -0.52 0.00 0.00 37.83 35.70 2k0a s LYS 104 CO 0.00 0.33 1.61 0.15 -0.92 0.00 0.00 175.35 176.52 2k0a s LYS 105 N -2.47 4.21 0.21 1.68 3.01 -1.26 -4.82 119.74 120.29 2k0a s LYS 105 Ca 0.15 2.24 -0.28 0.00 -1.01 0.00 0.00 55.97 57.07 2k0a s LYS 105 Cb -0.08 -3.66 -0.09 0.00 -1.01 0.00 0.00 37.83 33.00 2k0a s LYS 105 CO 0.07 -0.72 0.88 -1.59 0.51 0.00 0.00 175.35 174.49 2k0a s LYS 106 N 2.82 4.75 0.00 1.68 -2.85 -1.26 -5.08 119.74 119.80 2k0a s LYS 106 Ca 0.72 1.36 0.23 0.00 -1.00 0.00 0.00 55.97 57.28 2k0a s LYS 106 Cb -0.37 -3.27 1.38 0.00 -2.06 0.00 0.00 37.83 33.50 2k0a s LYS 106 CO 0.31 0.54 1.75 0.28 0.10 0.00 0.00 175.35 178.33