#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i8c n LYS 2 N 0.00 0.00 -0.17 -1.24 4.81 -1.26 -4.68 118.16 115.62 1i8c n LYS 2 Ca 0.00 0.00 -0.21 0.00 -0.87 0.00 0.00 58.31 57.23 1i8c n LYS 2 Cb 0.00 0.00 0.20 0.00 0.02 0.00 0.00 35.03 35.25 1i8c n LYS 2 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1i8c n ASP 3 N 1.95 -3.41 -4.77 3.14 9.92 -1.26 -4.90 116.55 117.22 1i8c n ASP 3 Ca 0.00 -0.61 -0.40 0.00 -0.53 0.00 0.00 54.79 53.25 1i8c n ASP 3 Cb 0.00 -0.67 0.01 0.00 -0.64 0.00 0.00 41.12 39.82 1i8c n ASP 3 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1i8c s VAL 4 N -1.77 2.24 0.50 2.53 1.01 -1.26 -4.90 120.40 118.75 1i8c s VAL 4 Ca 0.45 0.22 0.07 0.00 0.00 0.00 0.00 61.98 62.72 1i8c s VAL 4 Cb -0.08 -3.13 0.02 0.00 0.00 0.00 0.00 36.38 33.19 1i8c s VAL 4 CO 0.38 0.03 0.41 -0.75 0.00 0.00 0.00 175.10 175.17 1i8c s LYS 5 N -2.33 2.34 -0.49 2.72 2.20 -1.26 -4.80 119.74 118.11 1i8c s LYS 5 Ca 0.59 -1.83 -0.09 0.00 -0.36 0.00 0.00 55.97 54.28 1i8c s LYS 5 Cb -0.42 -2.22 0.13 0.00 -1.51 0.00 0.00 37.83 33.81 1i8c s LYS 5 CO 0.55 -0.47 0.37 0.71 -0.36 0.00 0.00 175.35 176.15 1i8c s TYR 6 N -2.66 3.44 0.76 4.03 1.51 -1.26 0.45 117.35 123.62 1i8c s TYR 6 Ca 0.41 -1.92 -0.12 0.00 -1.01 0.00 0.00 57.07 54.43 1i8c s TYR 6 Cb -0.02 -3.50 0.05 0.00 -0.11 0.00 0.00 41.96 38.38 1i8c s TYR 6 CO 0.25 -0.99 1.12 0.71 -1.11 0.00 0.00 175.55 175.53 1i8c s TYR 7 N 1.24 3.07 0.46 2.71 1.51 0.28 -4.65 117.35 121.97 1i8c s TYR 7 Ca 0.07 1.00 0.06 0.00 -1.01 0.00 0.00 57.07 57.19 1i8c s TYR 7 Cb -0.25 -3.19 0.02 0.00 -0.11 0.00 0.00 41.96 38.42 1i8c s TYR 7 CO -0.01 -1.53 0.63 0.95 -1.11 0.00 0.00 175.55 174.48 1i8c s THR 8 N -3.35 2.90 -0.08 -0.71 -4.23 -1.26 0.10 115.64 109.01 1i8c s THR 8 Ca 0.60 -0.91 0.13 0.00 -1.18 0.00 0.00 61.69 60.33 1i8c s THR 8 Cb -0.12 -2.99 -0.05 0.00 1.34 0.00 0.00 72.50 70.68 1i8c s THR 8 CO 0.52 0.00 1.26 0.25 -0.54 0.00 0.00 174.62 176.11 1i8c h LEU 9 N 0.47 0.00 -0.14 4.79 5.85 -1.98 -3.03 115.31 121.28 1i8c h LEU 9 Ca -0.40 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.16 1i8c h LEU 9 Cb 1.28 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.29 1i8c h LEU 9 CO 0.47 0.67 -0.75 -0.33 -0.34 0.00 0.00 178.44 178.15 1i8c h GLU 10 N 0.00 0.00 0.03 1.25 5.08 -1.95 -2.14 114.58 116.85 1i8c h GLU 10 Ca -0.05 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.05 1i8c h GLU 10 Cb 1.55 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.82 1i8c h GLU 10 CO 0.08 0.75 -1.07 1.49 -1.00 0.00 0.00 179.01 179.25 1i8c h GLU 11 N 0.00 0.60 0.00 2.33 4.81 -1.97 -2.93 114.58 117.42 1i8c h GLU 11 Ca -0.01 -0.69 -0.12 0.00 -0.13 0.00 0.00 59.36 58.41 1i8c h GLU 11 Cb 1.51 0.21 -0.02 0.00 0.63 0.00 0.00 28.75 31.08 1i8c h GLU 11 CO 0.10 1.29 -0.57 0.82 -0.73 0.00 0.00 179.01 179.91 1i8c h ILE 12 N 0.32 1.23 -0.32 2.32 2.04 -1.58 -2.85 117.51 118.67 1i8c h ILE 12 Ca -0.13 -2.08 0.00 0.00 1.00 0.00 0.00 64.86 63.65 1i8c h ILE 12 Cb 1.73 2.18 0.00 0.00 -0.74 0.00 0.00 36.82 39.99 1i8c h ILE 12 CO 0.20 0.56 0.00 0.00 0.00 0.00 0.00 178.15 178.91 1i8c n GLN 13 N -3.60 3.03 -0.03 2.37 6.02 -0.81 -3.85 117.38 120.51 1i8c n GLN 13 Ca -0.00 -1.68 0.00 0.00 -0.01 0.00 0.00 57.00 55.30 1i8c n GLN 13 Cb 0.63 -1.88 -0.10 0.00 1.02 0.00 0.00 30.24 29.91 1i8c n GLN 13 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1i8c n LYS 14 N 0.36 1.24 -2.55 -1.09 3.00 -1.08 -4.80 118.16 113.24 1i8c n LYS 14 Ca 0.15 -0.06 -0.41 0.00 -0.00 0.00 0.00 58.31 57.99 1i8c n LYS 14 Cb 0.74 -1.31 -0.02 0.00 0.00 0.00 0.00 35.03 34.44 1i8c n LYS 14 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.40 176.39 1i8c s HIS 15 N -2.58 2.60 0.00 5.64 3.76 -1.25 -4.82 115.29 118.63 1i8c s HIS 15 Ca -0.05 -1.07 0.00 0.00 -0.15 0.00 0.00 55.06 53.79 1i8c s HIS 15 Cb 0.06 -4.70 0.00 0.00 1.11 0.00 0.00 32.58 29.05 1i8c s HIS 15 CO 0.51 -1.89 0.17 1.63 -0.85 0.00 0.00 174.74 174.32 1i8c n LYS 16 N 8.72 0.00 0.02 1.40 5.02 -1.26 -4.84 118.16 127.22 1i8c n LYS 16 Ca 0.39 0.41 -0.01 0.00 -2.02 0.00 0.00 58.31 57.08 1i8c n LYS 16 Cb 0.49 -1.01 -0.00 0.00 -0.02 0.00 0.00 35.03 34.49 1i8c n LYS 16 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1i8c n ASP 17 N -1.73 0.69 0.00 4.39 2.03 -1.26 -4.99 116.55 115.68 1i8c n ASP 17 Ca 0.00 0.09 0.00 0.00 0.52 0.00 0.00 54.79 55.40 1i8c n ASP 17 Cb 0.00 -0.25 0.00 0.00 -0.72 0.00 0.00 41.12 40.15 1i8c n ASP 17 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1i8c n SER 18 N -3.13 0.00 0.00 1.67 3.41 -1.26 -4.12 113.62 110.19 1i8c n SER 18 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 1i8c n SER 18 Cb 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 1i8c n SER 18 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1i8c n LYS 19 N 0.00 0.00 -0.09 4.33 3.00 -1.26 -5.14 118.16 119.00 1i8c n LYS 19 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 58.31 58.30 1i8c n LYS 19 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 35.03 35.04 1i8c n LYS 19 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1i8c n SER 20 N -1.17 0.00 -3.73 3.14 7.64 -1.26 -4.93 113.62 113.31 1i8c n SER 20 Ca 0.00 -1.01 -0.13 0.00 1.01 0.00 0.00 58.87 58.73 1i8c n SER 20 Cb 0.00 -0.03 -0.14 0.00 -1.01 0.00 0.00 64.21 63.03 1i8c n SER 20 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1i8c s THR 21 N -1.00 -0.07 -0.96 0.44 -1.32 -1.26 -4.90 115.64 106.57 1i8c s THR 21 Ca 0.02 0.19 -0.03 0.00 -1.21 0.00 0.00 61.69 60.65 1i8c s THR 21 Cb -0.00 -0.29 0.24 0.00 -1.51 0.00 0.00 72.50 70.94 1i8c s THR 21 CO 0.01 0.08 0.90 0.79 -2.21 0.00 0.00 174.62 174.19 1i8c n TRP 22 N 4.31 4.42 -2.75 9.09 7.02 -1.25 -1.87 117.44 136.42 1i8c n TRP 22 Ca -0.24 -4.02 -0.39 0.00 -1.02 0.00 0.00 57.50 51.82 1i8c n TRP 22 Cb 0.52 -1.28 -0.06 0.00 -2.42 0.00 0.00 31.31 28.07 1i8c n TRP 22 CO 0.00 0.00 0.00 0.08 -2.02 0.00 0.00 177.69 175.75 1i8c s VAL 23 N -1.45 4.08 -0.06 -0.99 1.01 -0.11 -4.77 120.40 118.11 1i8c s VAL 23 Ca 0.29 2.00 0.04 0.00 0.00 0.00 0.00 61.98 64.32 1i8c s VAL 23 Cb -0.07 -4.24 -0.02 0.00 0.00 0.00 0.00 36.38 32.05 1i8c s VAL 23 CO -0.10 0.41 -0.19 -0.63 0.00 0.00 0.00 175.10 174.59 1i8c s ILE 24 N -1.28 2.65 0.00 2.22 1.09 -1.26 0.10 121.20 124.72 1i8c s ILE 24 Ca 0.43 -0.86 0.00 0.00 -1.10 0.00 0.00 60.65 59.13 1i8c s ILE 24 Cb -0.24 -2.02 0.00 0.00 -1.06 0.00 0.00 42.46 39.13 1i8c s ILE 24 CO 0.30 0.57 0.00 0.18 -0.10 0.00 0.00 174.94 175.90 1i8c n LEU 25 N 2.69 0.41 0.00 2.97 7.99 -1.18 -4.98 117.00 124.89 1i8c n LEU 25 Ca -0.17 0.09 0.00 0.00 -0.01 0.00 0.00 56.01 55.92 1i8c n LEU 25 Cb 0.52 -0.29 0.00 0.00 -0.11 0.00 0.00 43.42 43.54 1i8c n LEU 25 CO 0.26 -0.29 -0.25 1.41 -1.51 0.00 0.00 177.39 177.01 1i8c n HIS 26 N -1.85 0.00 0.00 -1.77 8.25 -1.26 -4.99 115.22 113.60 1i8c n HIS 26 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1i8c n HIS 26 Cb 0.00 0.14 0.00 0.00 1.12 0.00 0.00 29.99 31.25 1i8c n HIS 26 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1i8c n HIS 27 N -2.43 0.00 -1.97 4.41 -0.00 -1.26 -5.01 115.22 108.96 1i8c n HIS 27 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 57.72 57.31 1i8c n HIS 27 Cb 0.25 0.11 -0.02 0.00 -0.00 0.00 0.00 29.99 30.34 1i8c n HIS 27 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 1i8c s LYS 28 N -1.41 4.24 -0.23 1.57 1.02 -1.26 -1.25 119.74 122.43 1i8c s LYS 28 Ca 0.00 2.37 -0.10 0.00 0.02 0.00 0.00 55.97 58.26 1i8c s LYS 28 Cb 0.00 -3.05 -0.05 0.00 -0.52 0.00 0.00 37.83 34.21 1i8c s LYS 28 CO 0.00 -0.39 0.15 0.08 -0.92 0.00 0.00 175.35 174.27 1i8c s VAL 29 N -0.66 5.36 -0.22 3.17 1.01 0.30 -3.12 120.40 126.25 1i8c s VAL 29 Ca 0.55 0.18 -0.14 0.00 0.00 0.00 0.00 61.98 62.56 1i8c s VAL 29 Cb -0.43 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 1i8c s VAL 29 CO 0.52 0.37 0.33 -0.31 0.00 0.00 0.00 175.10 176.01 1i8c s TYR 30 N 0.86 3.35 -1.06 5.22 1.51 0.28 -2.51 117.35 125.00 1i8c s TYR 30 Ca 0.08 0.49 -0.05 0.00 -1.01 0.00 0.00 57.07 56.58 1i8c s TYR 30 Cb -0.13 -2.46 0.29 0.00 -0.11 0.00 0.00 41.96 39.55 1i8c s TYR 30 CO 0.03 -0.00 1.24 -3.47 -1.11 0.00 0.00 175.55 172.23 1i8c n ASP 31 N 4.48 5.73 -2.72 2.29 2.03 -0.91 -0.93 116.55 126.52 1i8c n ASP 31 Ca -0.10 -3.25 -0.28 0.00 0.52 0.00 0.00 54.79 51.68 1i8c n ASP 31 Cb 0.51 -1.26 -0.07 0.00 -0.72 0.00 0.00 41.12 39.59 1i8c n ASP 31 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1i8c n LEU 32 N 1.90 6.86 0.24 -2.67 4.32 -0.78 -4.56 117.00 122.32 1i8c n LEU 32 Ca 0.25 -4.11 0.11 0.00 -0.02 0.00 0.00 56.01 52.24 1i8c n LEU 32 Cb 0.36 -1.34 0.62 0.00 -1.62 0.00 0.00 43.42 41.43 1i8c n LEU 32 CO 0.58 1.85 0.90 0.00 -1.22 0.00 0.00 177.39 179.49 1i8c h THR 33 N 2.26 0.60 0.00 -5.08 1.03 -1.91 -1.80 112.91 108.01 1i8c h THR 33 Ca 0.48 -0.79 -0.21 0.00 -0.01 0.00 0.00 66.41 65.88 1i8c h THR 33 Cb 0.74 1.51 -0.03 0.00 -1.07 0.00 0.00 68.15 69.30 1i8c h THR 33 CO 0.99 0.17 -1.09 0.50 -0.01 0.00 0.00 175.52 176.07 1i8c h LYS 34 N 0.00 0.00 -0.05 0.00 3.64 -1.96 -3.26 116.57 114.94 1i8c h LYS 34 Ca -0.00 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.22 1i8c h LYS 34 Cb 0.50 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 1i8c h LYS 34 CO 0.02 0.81 -0.66 0.35 -2.27 0.00 0.00 179.45 177.70 1i8c h PHE 35 N 0.00 0.27 0.00 1.91 3.04 -1.78 0.17 116.94 120.55 1i8c h PHE 35 Ca -0.07 -0.11 -0.01 0.00 3.98 0.00 0.00 57.97 61.76 1i8c h PHE 35 Cb 1.76 -0.04 -0.00 0.00 2.56 0.00 0.00 35.95 40.23 1i8c h PHE 35 CO 0.00 0.80 -0.03 1.25 -2.02 0.00 0.00 178.31 178.31 1i8c h LEU 36 N 0.14 0.00 0.00 0.59 6.46 -1.39 0.58 115.31 121.69 1i8c h LEU 36 Ca -0.01 0.00 -0.23 0.00 -0.12 0.00 0.00 57.88 57.52 1i8c h LEU 36 Cb 1.18 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 41.07 1i8c h LEU 36 CO 0.10 0.03 -2.22 1.21 -0.62 0.00 0.00 178.44 176.94 1i8c n GLU 37 N -4.35 0.68 0.08 1.25 2.13 -1.09 -4.31 120.64 115.04 1i8c n GLU 37 Ca -0.03 -0.07 -0.05 0.00 0.66 0.00 0.00 57.16 57.68 1i8c n GLU 37 Cb 0.12 -1.53 -0.08 0.00 0.27 0.00 0.00 31.44 30.22 1i8c n GLU 37 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1i8c h GLU 38 N 0.00 0.00 -3.54 5.31 4.81 -0.21 -3.39 114.58 117.56 1i8c h GLU 38 Ca -0.34 0.00 -0.68 0.00 -0.13 0.00 0.00 59.36 58.21 1i8c h GLU 38 Cb 1.78 0.00 -0.37 0.00 0.63 0.00 0.00 28.75 30.80 1i8c h GLU 38 CO 0.02 0.87 -0.42 -1.01 -0.73 0.00 0.00 179.01 177.74 1i8c s HIS 39 N -2.79 3.36 -0.81 0.92 3.76 0.20 -5.03 115.29 114.90 1i8c s HIS 39 Ca 0.02 -2.83 -0.22 0.00 -0.15 0.00 0.00 55.06 51.88 1i8c s HIS 39 Cb 0.09 -3.11 -0.19 0.00 1.11 0.00 0.00 32.58 30.49 1i8c s HIS 39 CO 0.80 -0.82 2.38 -2.30 -0.85 0.00 0.00 174.74 173.95 1i8c n PRO 40 N 3.38 0.45 0.07 8.40 -0.02 -1.26 -4.52 135.00 141.49 1i8c n PRO 40 Ca 0.07 -0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.14 1i8c n PRO 40 Cb 0.36 -2.76 0.00 0.00 -0.02 0.00 0.00 33.50 31.08 1i8c n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1i8c n GLY 41 N 6.31 -0.11 0.00 -1.23 0.00 -1.26 -5.13 105.19 103.77 1i8c n GLY 41 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.54 1i8c n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i8c n GLY 42 N 2.95 -1.01 1.65 -0.02 0.00 -1.26 -5.00 105.19 102.50 1i8c n GLY 42 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.38 1i8c n GLY 42 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1i8c n GLU 43 N 0.00 0.00 -3.48 1.61 2.13 -1.26 -5.02 120.64 114.62 1i8c n GLU 43 Ca 0.00 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.40 1i8c n GLU 43 Cb 0.00 -0.19 -0.10 0.00 0.27 0.00 0.00 31.44 31.42 1i8c n GLU 43 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1i8c s GLU 44 N -2.00 3.14 0.00 5.31 2.02 -1.26 -4.85 118.70 121.06 1i8c s GLU 44 Ca 0.00 -0.90 0.00 0.00 0.02 0.00 0.00 54.97 54.09 1i8c s GLU 44 Cb 0.00 -3.92 0.00 0.00 0.10 0.00 0.00 34.13 30.31 1i8c s GLU 44 CO 0.00 -0.65 0.00 1.33 0.02 0.00 0.00 175.26 175.96 1i8c n VAL 45 N 5.14 0.00 -1.57 2.63 0.24 -1.26 -4.74 118.33 118.77 1i8c n VAL 45 Ca -0.12 0.00 -0.40 0.00 -2.04 0.00 0.00 64.34 61.78 1i8c n VAL 45 Cb 0.48 -0.30 -0.03 0.00 -1.47 0.00 0.00 33.84 32.51 1i8c n VAL 45 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1i8c n LEU 46 N -1.96 2.78 -3.30 1.34 4.32 -1.26 -2.74 117.00 116.17 1i8c n LEU 46 Ca 0.00 -0.13 -0.23 0.00 -0.02 0.00 0.00 56.01 55.63 1i8c n LEU 46 Cb 0.27 -1.56 0.01 0.00 -1.62 0.00 0.00 43.42 40.52 1i8c n LEU 46 CO 0.00 -1.10 -0.02 -1.14 -1.22 0.00 0.00 177.39 173.91 1i8c n ARG 47 N 8.87 -3.90 0.00 3.23 0.63 -1.25 -3.62 116.66 120.62 1i8c n ARG 47 Ca 0.34 0.59 0.00 0.00 -0.92 0.00 0.00 57.85 57.86 1i8c n ARG 47 Cb 0.49 -5.35 0.00 0.00 0.45 0.00 0.00 32.46 28.05 1i8c n ARG 47 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 1i8c n GLU 48 N -3.86 0.00 -3.02 -0.14 2.13 -1.11 -4.74 120.64 109.90 1i8c n GLU 48 Ca -0.04 0.00 -0.15 0.00 0.66 0.00 0.00 57.16 57.63 1i8c n GLU 48 Cb 0.56 0.00 0.02 0.00 0.27 0.00 0.00 31.44 32.29 1i8c n GLU 48 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 1i8c n GLN 49 N 0.00 -2.30 0.00 5.31 1.13 -1.24 -4.42 117.38 115.86 1i8c n GLN 49 Ca 0.00 1.97 0.00 0.00 -1.94 0.00 0.00 57.00 57.03 1i8c n GLN 49 Cb 0.00 -4.61 0.00 0.00 0.11 0.00 0.00 30.24 25.74 1i8c n GLN 49 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1i8c n ALA 50 N -0.14 0.00 -2.71 -1.58 0.00 -1.26 -4.97 120.51 109.85 1i8c n ALA 50 Ca 0.06 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.42 1i8c n ALA 50 Cb 0.48 0.00 0.10 0.00 0.00 0.00 0.00 19.45 20.03 1i8c n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i8c n GLY 51 N -1.15 0.84 0.00 0.00 0.00 -1.26 -5.14 105.19 98.48 1i8c n GLY 51 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1i8c n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i8c n GLY 52 N -0.20 2.52 1.38 -0.02 0.00 -1.26 -5.09 105.19 102.52 1i8c n GLY 52 Ca -0.01 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.09 1i8c n GLY 52 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1i8c n ASP 53 N 0.00 -1.99 -3.83 1.61 -0.08 -1.26 -5.15 116.55 105.85 1i8c n ASP 53 Ca 0.00 0.55 -0.27 0.00 -1.51 0.00 0.00 54.79 53.56 1i8c n ASP 53 Cb 0.00 2.06 0.19 0.00 2.34 0.00 0.00 41.12 45.71 1i8c n ASP 53 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1i8c n ALA 54 N -2.96 -1.34 -2.64 -1.67 0.00 -1.26 -5.03 120.51 105.61 1i8c n ALA 54 Ca 0.00 -1.65 -0.20 0.00 0.00 0.00 0.00 53.44 51.59 1i8c n ALA 54 Cb 0.00 -0.06 0.01 0.00 0.00 0.00 0.00 19.45 19.40 1i8c n ALA 54 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1i8c n THR 55 N -3.67 1.74 -0.06 0.00 -1.04 -1.26 -4.87 114.28 105.12 1i8c n THR 55 Ca 0.16 -4.28 -0.09 0.00 -2.04 0.00 0.00 64.05 57.80 1i8c n THR 55 Cb 0.55 -0.49 -0.08 0.00 -1.82 0.00 0.00 70.33 68.48 1i8c n THR 55 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1i8c h GLU 56 N 2.80 -0.01 -5.28 -2.82 5.08 -2.03 -3.38 114.58 108.94 1i8c h GLU 56 Ca 0.12 0.00 -0.71 0.00 -1.00 0.00 0.00 59.36 57.78 1i8c h GLU 56 Cb 0.98 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.10 1i8c h GLU 56 CO 0.69 0.64 1.71 -0.80 -1.00 0.00 0.00 179.01 180.26 1i8c s ASN 57 N -5.97 6.94 0.03 1.42 0.01 -1.26 -4.83 114.94 111.28 1i8c s ASN 57 Ca -0.12 -2.68 -0.23 0.00 -0.71 0.00 0.00 52.86 49.11 1i8c s ASN 57 Cb -0.02 -2.48 -0.13 0.00 0.41 0.00 0.00 41.25 39.03 1i8c s ASN 57 CO 0.45 -0.96 1.26 0.15 -1.51 0.00 0.00 177.10 176.49 1i8c h PHE 58 N 7.47 -0.77 -2.15 2.20 3.57 -1.98 -3.44 116.94 121.84 1i8c h PHE 58 Ca 0.37 -0.02 -0.52 0.00 3.53 0.00 0.00 57.97 61.33 1i8c h PHE 58 Cb 0.88 0.25 -0.06 0.00 2.79 0.00 0.00 35.95 39.81 1i8c h PHE 58 CO 1.25 -0.48 -0.55 -1.21 -2.23 0.00 0.00 178.31 175.09 1i8c s GLU 59 N -4.66 2.70 0.00 1.11 2.02 -1.26 -3.75 118.70 114.86 1i8c s GLU 59 Ca -0.12 -1.20 0.00 0.00 0.02 0.00 0.00 54.97 53.67 1i8c s GLU 59 Cb 0.01 -2.42 0.00 0.00 0.10 0.00 0.00 34.13 31.82 1i8c s GLU 59 CO 0.36 0.35 0.00 -0.25 0.02 0.00 0.00 175.26 175.74 1i8c n ASP 60 N -1.12 0.00 -3.67 -0.19 9.92 -1.26 -5.01 116.55 115.22 1i8c n ASP 60 Ca -0.07 0.00 -0.04 0.00 -0.53 0.00 0.00 54.79 54.16 1i8c n ASP 60 Cb 0.59 -0.16 -0.01 0.00 -0.64 0.00 0.00 41.12 40.89 1i8c n ASP 60 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1i8c s VAL 61 N -0.35 0.00 0.00 2.53 0.11 -1.26 -5.05 120.40 116.38 1i8c s VAL 61 Ca 0.00 -0.41 0.00 0.00 -2.93 0.00 0.00 61.98 58.64 1i8c s VAL 61 Cb 0.00 -1.72 0.00 0.00 -1.53 0.00 0.00 36.38 33.13 1i8c s VAL 61 CO 0.00 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.38 1i8c n GLY 62 N -0.40 1.23 2.00 6.54 0.00 -1.26 -5.03 105.19 108.26 1i8c n GLY 62 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1i8c n GLY 62 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1i8c n HIS 63 N 0.00 -1.00 0.00 1.61 8.25 -1.26 -5.04 115.22 117.78 1i8c n HIS 63 Ca 0.00 0.03 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 1i8c n HIS 63 Cb 0.00 0.55 0.00 0.00 1.12 0.00 0.00 29.99 31.66 1i8c n HIS 63 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1i8c n SER 64 N -2.53 0.00 0.26 0.41 7.64 -1.26 -2.76 113.62 115.38 1i8c n SER 64 Ca 0.00 0.00 0.15 0.00 1.01 0.00 0.00 58.87 60.03 1i8c n SER 64 Cb 0.00 0.00 0.86 0.00 -1.01 0.00 0.00 64.21 64.06 1i8c n SER 64 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1i8c h THR 65 N 0.00 0.55 -2.68 0.44 1.03 -2.03 -3.32 112.91 106.90 1i8c h THR 65 Ca 0.00 0.00 -0.71 0.00 -0.01 0.00 0.00 66.41 65.69 1i8c h THR 65 Cb 0.00 0.94 -0.19 0.00 -1.07 0.00 0.00 68.15 67.83 1i8c h THR 65 CO 0.00 0.00 0.69 -1.81 -0.01 0.00 0.00 175.52 174.39 1i8c s ASP 66 N -6.12 6.66 0.14 0.00 1.01 -1.11 -4.81 116.67 112.44 1i8c s ASP 66 Ca -0.05 -2.18 0.11 0.00 0.71 0.00 0.00 52.55 51.15 1i8c s ASP 66 Cb 0.15 -2.36 -0.12 0.00 1.01 0.00 0.00 42.92 41.60 1i8c s ASP 66 CO 0.56 -0.96 1.20 0.00 0.21 0.00 0.00 175.17 176.18 1i8c h ALA 67 N 8.62 0.54 -2.68 5.23 0.00 -1.91 -3.46 119.26 125.59 1i8c h ALA 67 Ca 0.15 -0.83 -0.54 0.00 0.00 0.00 0.00 54.91 53.69 1i8c h ALA 67 Cb 1.03 -0.00 0.17 0.00 0.00 0.00 0.00 17.79 18.99 1i8c h ALA 67 CO 1.04 1.06 0.37 0.50 0.00 0.00 0.00 179.25 182.22 1i8c s ARG 68 N -2.80 1.83 0.26 0.00 3.52 -1.26 -4.97 118.95 115.53 1i8c s ARG 68 Ca 0.01 1.80 -0.27 0.00 -0.13 0.00 0.00 55.73 57.14 1i8c s ARG 68 Cb 0.09 -1.79 -0.09 0.00 -1.56 0.00 0.00 34.95 31.59 1i8c s ARG 68 CO 0.80 -2.08 0.90 -1.21 -0.81 0.00 0.00 175.30 172.90 1i8c s GLU 69 N -4.00 4.68 0.12 5.12 2.02 -1.26 -4.96 118.70 120.42 1i8c s GLU 69 Ca 0.75 1.34 0.16 0.00 0.02 0.00 0.00 54.97 57.24 1i8c s GLU 69 Cb -0.30 -3.09 -0.08 0.00 0.10 0.00 0.00 34.13 30.76 1i8c s GLU 69 CO 0.48 0.44 0.99 1.25 0.02 0.00 0.00 175.26 178.44 1i8c h LEU 70 N 3.80 0.00 -8.06 1.80 5.85 -1.96 -3.42 115.31 113.32 1i8c h LEU 70 Ca -0.46 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.07 1i8c h LEU 70 Cb 1.20 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.20 1i8c h LEU 70 CO 0.66 0.55 0.59 -0.94 -0.34 0.00 0.00 178.44 178.97 1i8c s SER 71 N -5.96 4.33 0.00 1.25 1.04 -1.26 -3.30 113.70 109.80 1i8c s SER 71 Ca -0.01 -1.23 0.00 0.00 0.48 0.00 0.00 55.95 55.19 1i8c s SER 71 Cb 0.08 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.62 1i8c s SER 71 CO 0.79 -3.78 0.00 1.17 0.98 0.00 0.00 173.24 172.41 1i8c n LYS 72 N 8.31 0.00 0.02 4.02 4.81 -1.26 -4.94 118.16 129.12 1i8c n LYS 72 Ca 0.43 0.00 0.06 0.00 -0.87 0.00 0.00 58.31 57.93 1i8c n LYS 72 Cb 0.46 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 35.42 1i8c n LYS 72 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1i8c n THR 73 N -1.16 0.65 -1.41 3.15 -2.24 -1.21 -4.29 114.28 107.78 1i8c n THR 73 Ca 0.00 -0.61 -0.25 0.00 -2.27 0.00 0.00 64.05 60.92 1i8c n THR 73 Cb 0.00 -0.34 -0.05 0.00 -2.10 0.00 0.00 70.33 67.84 1i8c n THR 73 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1i8c n TYR 74 N -2.60 1.55 -4.52 4.78 4.02 -1.26 -4.91 117.16 114.23 1i8c n TYR 74 Ca -0.08 -1.94 -0.25 0.00 -0.01 0.00 0.00 57.90 55.63 1i8c n TYR 74 Cb 0.70 -1.34 -0.11 0.00 -0.02 0.00 0.00 39.34 38.58 1i8c n TYR 74 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1i8c s ILE 75 N -2.18 1.90 0.00 -0.72 1.01 -1.26 -2.15 121.20 117.81 1i8c s ILE 75 Ca 0.56 -2.12 0.00 0.00 0.00 0.00 0.00 60.65 59.09 1i8c s ILE 75 Cb 0.37 -2.68 0.00 0.00 0.01 0.00 0.00 42.46 40.16 1i8c s ILE 75 CO -0.19 -0.17 0.00 2.30 0.00 0.00 0.00 174.94 176.88 1i8c n ILE 76 N -0.76 0.00 -3.10 2.92 -5.35 -1.05 -4.70 119.36 107.32 1i8c n ILE 76 Ca -0.05 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.43 1i8c n ILE 76 Cb 0.65 -0.38 0.00 0.00 -1.74 0.00 0.00 39.64 38.16 1i8c n ILE 76 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1i8c n GLY 77 N 2.45 -0.99 3.85 3.28 0.00 -1.25 -4.18 105.19 108.35 1i8c n GLY 77 Ca 0.00 -0.77 -0.23 0.00 0.00 0.00 0.00 46.02 45.02 1i8c n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1i8c s GLU 78 N -0.20 2.39 0.40 1.61 2.02 0.17 0.11 118.70 125.20 1i8c s GLU 78 Ca 0.00 -1.73 -0.07 0.00 0.02 0.00 0.00 54.97 53.20 1i8c s GLU 78 Cb 0.00 -2.22 -0.05 0.00 0.10 0.00 0.00 34.13 31.96 1i8c s GLU 78 CO 0.00 -0.29 0.71 -1.17 0.02 0.00 0.00 175.26 174.53 1i8c s LEU 79 N -4.12 3.83 -0.18 1.80 0.20 -0.38 0.10 118.68 119.94 1i8c s LEU 79 Ca 0.43 0.91 -0.28 0.00 0.69 0.00 0.00 54.13 55.88 1i8c s LEU 79 Cb -0.01 -3.80 -0.05 0.00 -0.43 0.00 0.00 46.19 41.89 1i8c s LEU 79 CO 0.25 -0.40 2.12 -2.28 -0.29 0.00 0.00 176.35 175.75 1i8c s HIS 80 N -2.42 1.27 0.63 5.38 5.65 0.28 -4.61 115.29 121.48 1i8c s HIS 80 Ca 0.47 0.35 0.29 0.00 0.25 0.00 0.00 55.06 56.43 1i8c s HIS 80 Cb -0.10 -4.01 1.55 0.00 -1.18 0.00 0.00 32.58 28.84 1i8c s HIS 80 CO 0.36 -4.25 1.91 -1.35 -0.65 0.00 0.00 174.74 170.76 1i8c h PRO 81 N 13.88 0.00 0.50 2.88 0.11 -1.94 -2.06 132.00 145.37 1i8c h PRO 81 Ca -0.42 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.68 1i8c h PRO 81 Cb 1.23 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 1i8c h PRO 81 CO 0.96 0.00 -0.46 0.22 -0.21 0.00 0.00 178.00 178.52 1i8c h ASP 82 N 0.00 -1.24 1.64 -2.05 1.82 -1.98 -1.10 116.42 113.52 1i8c h ASP 82 Ca 0.09 0.09 0.00 0.00 -0.39 0.00 0.00 57.03 56.83 1i8c h ASP 82 Cb 0.88 0.40 0.00 0.00 0.68 0.00 0.00 39.33 41.29 1i8c h ASP 82 CO -0.00 -0.62 -0.00 0.44 -1.61 0.00 0.00 179.24 177.45 1i8c h ASP 83 N -0.94 0.00 0.07 2.28 3.32 -1.86 -3.25 116.42 116.04 1i8c h ASP 83 Ca -0.06 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.98 1i8c h ASP 83 Cb 0.81 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.36 1i8c h ASP 83 CO -0.03 0.00 -0.03 -0.09 -1.72 0.00 0.00 179.24 177.36 1i8c h ARG 84 N 0.00 -0.09 0.00 3.56 2.43 -1.09 -3.44 114.38 115.74 1i8c h ARG 84 Ca 0.00 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1i8c h ARG 84 Cb 0.82 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.39 1i8c h ARG 84 CO 0.00 0.45 0.00 0.45 -1.51 0.00 0.00 179.97 179.36 1i8c n SER 85 N -4.85 0.00 -2.88 -3.80 2.88 -0.44 -5.07 113.62 99.46 1i8c n SER 85 Ca -0.08 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.49 1i8c n SER 85 Cb 0.29 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.76 1i8c n SER 85 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1i8c s LYS 86 N 0.00 0.04 -0.39 -1.46 2.47 -1.25 -5.04 119.74 114.11 1i8c s LYS 86 Ca 0.00 0.00 -0.04 0.00 -1.56 0.00 0.00 55.97 54.37 1i8c s LYS 86 Cb 0.00 0.01 -0.01 0.00 -1.46 0.00 0.00 37.83 36.37 1i8c s LYS 86 CO 0.00 -0.06 2.94 0.44 0.16 0.00 0.00 175.35 178.84 1i8c n ILE 87 N 4.17 3.31 -1.62 5.43 -6.64 -1.23 -4.85 119.36 117.93 1i8c n ILE 87 Ca 0.07 -2.72 -0.33 0.00 -1.77 0.00 0.00 62.75 58.00 1i8c n ILE 87 Cb 0.62 -1.70 -0.07 0.00 -1.44 0.00 0.00 39.64 37.06 1i8c n ILE 87 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1i8c n ALA 88 N 1.25 2.07 -1.56 -1.28 0.00 -1.26 -4.89 120.51 114.85 1i8c n ALA 88 Ca 0.48 -3.02 -0.46 0.00 0.00 0.00 0.00 53.44 50.44 1i8c n ALA 88 Cb 0.62 -3.54 -0.04 0.00 0.00 0.00 0.00 19.45 16.49 1i8c n ALA 88 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1i8c n LYS 89 N 7.84 1.71 -0.29 0.00 5.02 -1.26 -4.94 118.16 126.24 1i8c n LYS 89 Ca 0.46 0.48 -0.13 0.00 -2.02 0.00 0.00 58.31 57.11 1i8c n LYS 89 Cb 0.44 -2.96 0.12 0.00 -0.02 0.00 0.00 35.03 32.61 1i8c n LYS 89 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1i8c n PRO 90 N 8.46 -1.62 0.00 1.97 -0.02 -1.26 -4.94 135.00 137.59 1i8c n PRO 90 Ca 0.33 -0.60 0.00 0.00 -2.02 0.00 0.00 63.50 61.21 1i8c n PRO 90 Cb 0.37 -1.06 0.00 0.00 -0.02 0.00 0.00 33.50 32.79 1i8c n PRO 90 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1i8c n SER 91 N -2.17 0.00 -1.31 2.55 2.88 -1.26 -4.87 113.62 109.44 1i8c n SER 91 Ca 0.06 0.54 -0.02 0.00 -1.33 0.00 0.00 58.87 58.12 1i8c n SER 91 Cb 0.25 -0.04 0.01 0.00 -0.75 0.00 0.00 64.21 63.68 1i8c n SER 91 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1i8c n GLU 92 N -0.64 0.26 -3.97 -1.46 2.13 -1.26 -5.16 120.64 110.54 1i8c n GLU 92 Ca 0.00 -0.44 -0.10 0.00 0.66 0.00 0.00 57.16 57.28 1i8c n GLU 92 Cb 0.00 0.34 -0.03 0.00 0.27 0.00 0.00 31.44 32.02 1i8c n GLU 92 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1i8c s THR 93 N 0.02 0.00 -2.06 6.31 2.01 -1.26 -5.33 115.64 115.33 1i8c s THR 93 Ca 0.02 -1.33 0.32 0.00 0.31 0.00 0.00 61.69 61.00 1i8c s THR 93 Cb 0.09 -2.39 0.87 0.00 0.01 0.00 0.00 72.50 71.07 1i8c s THR 93 CO -0.02 0.00 2.17 -0.11 -0.69 0.00 0.00 174.62 175.97