#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1do9 s LYS 2 N 0.00 0.55 -0.26 -0.67 1.02 -1.26 -5.05 119.74 114.07 1do9 s LYS 2 Ca 0.00 -0.23 -0.05 0.00 0.02 0.00 0.00 55.97 55.72 1do9 s LYS 2 Cb 0.00 0.24 -0.15 0.00 -0.52 0.00 0.00 37.83 37.40 1do9 s LYS 2 CO 0.00 -0.14 -0.28 -3.47 -0.92 0.00 0.00 175.35 170.54 1do9 n ASP 3 N 1.52 1.98 -3.46 2.83 2.03 -1.26 -4.77 116.55 115.41 1do9 n ASP 3 Ca -0.21 0.06 -0.24 0.00 0.52 0.00 0.00 54.79 54.91 1do9 n ASP 3 Cb 0.56 -0.57 -0.12 0.00 -0.72 0.00 0.00 41.12 40.27 1do9 n ASP 3 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1do9 s VAL 4 N -2.51 -0.14 -1.97 5.18 1.01 -1.26 -4.23 120.40 116.49 1do9 s VAL 4 Ca -0.36 -0.97 0.28 0.00 0.00 0.00 0.00 61.98 60.93 1do9 s VAL 4 Cb 0.11 -0.97 0.45 0.00 0.00 0.00 0.00 36.38 35.98 1do9 s VAL 4 CO 0.54 -0.71 1.75 1.17 0.00 0.00 0.00 175.10 177.85 1do9 n LYS 5 N 4.80 1.06 -3.01 2.72 0.00 -1.25 -4.85 118.16 117.63 1do9 n LYS 5 Ca 0.02 -0.53 -0.01 0.00 0.00 0.00 0.00 58.31 57.79 1do9 n LYS 5 Cb 0.42 -1.49 0.00 0.00 0.00 0.00 0.00 35.03 33.96 1do9 n LYS 5 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.40 178.38 1do9 n TYR 6 N -0.51 -1.77 -4.17 5.64 9.36 -1.25 -4.93 117.16 119.53 1do9 n TYR 6 Ca 0.16 0.78 -0.30 0.00 3.32 0.00 0.00 57.90 61.86 1do9 n TYR 6 Cb 0.31 -2.30 -0.09 0.00 -0.63 0.00 0.00 39.34 36.63 1do9 n TYR 6 CO 0.00 0.00 0.00 0.71 0.22 0.00 0.00 176.86 177.79 1do9 s TYR 7 N -1.31 2.88 0.28 2.98 2.02 -0.72 -4.87 117.35 118.61 1do9 s TYR 7 Ca 0.02 -0.09 -0.25 0.00 -0.37 0.00 0.00 57.07 56.38 1do9 s TYR 7 Cb -0.00 -1.48 -0.09 0.00 -0.40 0.00 0.00 41.96 39.98 1do9 s TYR 7 CO 0.36 0.46 0.89 0.95 -1.57 0.00 0.00 175.55 176.64 1do9 s THR 8 N -1.29 4.28 0.52 -0.71 -4.23 -1.26 -0.28 115.64 112.67 1do9 s THR 8 Ca 0.24 1.74 0.34 0.00 -1.18 0.00 0.00 61.69 62.83 1do9 s THR 8 Cb -0.11 -4.03 0.53 0.00 1.34 0.00 0.00 72.50 70.22 1do9 s THR 8 CO 0.16 0.23 1.81 -0.07 -0.54 0.00 0.00 174.62 176.22 1do9 h LEU 9 N 3.44 0.06 0.14 4.79 4.07 -1.96 0.24 115.31 126.09 1do9 h LEU 9 Ca -0.47 0.01 0.02 0.00 0.08 0.00 0.00 57.88 57.52 1do9 h LEU 9 Cb 1.19 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.90 1do9 h LEU 9 CO 0.65 0.01 -0.33 -0.08 -1.08 0.00 0.00 178.44 177.61 1do9 h GLU 10 N 0.05 -0.55 -0.65 1.13 4.81 -1.96 -0.58 114.58 116.83 1do9 h GLU 10 Ca 0.56 0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.82 1do9 h GLU 10 Cb 2.12 0.12 -0.03 0.00 0.63 0.00 0.00 28.75 31.59 1do9 h GLU 10 CO -0.04 -0.36 0.39 0.93 -0.73 0.00 0.00 179.01 179.19 1do9 h GLU 11 N -0.57 0.88 -0.82 1.92 4.39 -0.90 0.14 114.58 119.63 1do9 h GLU 11 Ca 0.03 -0.08 0.01 0.00 0.34 0.00 0.00 59.36 59.66 1do9 h GLU 11 Cb 0.59 -0.18 -0.04 0.00 -0.10 0.00 0.00 28.75 29.01 1do9 h GLU 11 CO -0.18 0.63 0.54 0.82 -1.16 0.00 0.00 179.01 179.66 1do9 h ILE 12 N 0.88 1.20 -0.04 3.13 5.03 -1.25 -0.27 117.51 126.19 1do9 h ILE 12 Ca 0.23 -0.38 0.00 0.00 -0.12 0.00 0.00 64.86 64.60 1do9 h ILE 12 Cb -0.02 0.01 0.00 0.00 -3.03 0.00 0.00 36.82 33.77 1do9 h ILE 12 CO -0.04 0.20 0.00 0.29 -0.68 0.00 0.00 178.15 177.92 1do9 n LYS 13 N -4.52 1.29 0.00 2.37 5.02 -0.24 -3.06 118.16 119.01 1do9 n LYS 13 Ca 0.09 -0.43 0.10 0.00 -2.02 0.00 0.00 58.31 56.04 1do9 n LYS 13 Cb 0.02 -1.40 -0.10 0.00 -0.02 0.00 0.00 35.03 33.54 1do9 n LYS 13 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1do9 n LYS 14 N -0.41 0.48 0.00 1.97 0.00 0.38 -4.84 118.16 115.75 1do9 n LYS 14 Ca 0.18 -0.17 0.00 0.00 0.00 0.00 0.00 58.31 58.31 1do9 n LYS 14 Cb 0.19 -1.45 0.00 0.00 0.00 0.00 0.00 35.03 33.76 1do9 n LYS 14 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1do9 n HIS 15 N -1.22 0.00 -4.15 5.64 8.25 -1.05 -4.86 115.22 117.82 1do9 n HIS 15 Ca 0.05 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.16 1do9 n HIS 15 Cb 0.34 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.43 1do9 n HIS 15 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1do9 n ASN 16 N 0.00 -3.22 0.00 0.41 0.23 0.80 -4.89 115.26 108.60 1do9 n ASN 16 Ca 0.00 -0.98 0.00 0.00 -0.53 0.00 0.00 54.58 53.07 1do9 n ASN 16 Cb 0.00 -2.95 0.00 0.00 -2.08 0.00 0.00 39.78 34.75 1do9 n ASN 16 CO 0.00 0.00 0.00 1.41 -0.93 0.00 0.00 177.26 177.74 1do9 n HIS 17 N -4.43 0.00 0.00 -2.53 8.25 -1.18 -4.97 115.22 110.36 1do9 n HIS 17 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 1do9 n HIS 17 Cb 0.52 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.63 1do9 n HIS 17 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1do9 n SER 18 N -1.20 0.00 -1.58 0.41 7.64 -1.26 -4.91 113.62 112.72 1do9 n SER 18 Ca 0.00 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.81 1do9 n SER 18 Cb 0.00 0.11 0.23 0.00 -1.01 0.00 0.00 64.21 63.54 1do9 n SER 18 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1do9 n LYS 19 N -1.75 2.62 -2.70 1.43 4.01 -1.26 -4.56 118.16 115.94 1do9 n LYS 19 Ca 0.00 -3.07 -0.04 0.00 -0.51 0.00 0.00 58.31 54.69 1do9 n LYS 19 Cb 0.00 -2.01 0.04 0.00 -0.51 0.00 0.00 35.03 32.55 1do9 n LYS 19 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 1do9 n SER 20 N -0.77 -2.10 -4.52 4.39 7.64 -1.26 -5.00 113.62 112.00 1do9 n SER 20 Ca 0.39 -1.93 -0.43 0.00 1.01 0.00 0.00 58.87 57.91 1do9 n SER 20 Cb 1.25 1.13 -0.01 0.00 -1.01 0.00 0.00 64.21 65.56 1do9 n SER 20 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1do9 s THR 21 N 0.72 4.38 0.81 0.44 2.01 -1.26 -0.14 115.64 122.60 1do9 s THR 21 Ca 0.27 -1.64 -0.09 0.00 0.31 0.00 0.00 61.69 60.54 1do9 s THR 21 Cb 0.13 -5.00 0.13 0.00 0.01 0.00 0.00 72.50 67.76 1do9 s THR 21 CO -0.11 -1.80 1.14 0.26 -0.69 0.00 0.00 174.62 173.42 1do9 s TRP 22 N 3.57 2.18 0.10 4.92 0.52 -1.26 -2.26 118.94 126.71 1do9 s TRP 22 Ca 0.44 0.28 -0.14 0.00 0.02 0.00 0.00 56.10 56.71 1do9 s TRP 22 Cb -0.01 -3.52 0.05 0.00 -1.15 0.00 0.00 33.47 28.85 1do9 s TRP 22 CO -0.03 -1.96 0.67 1.47 0.02 0.00 0.00 176.95 177.13 1do9 n LEU 23 N -3.25 0.00 -3.92 2.99 -0.00 -0.88 -1.01 117.00 110.94 1do9 n LEU 23 Ca 0.12 -0.85 -0.31 0.00 -0.00 0.00 0.00 56.01 54.97 1do9 n LEU 23 Cb 0.60 1.71 -0.15 0.00 -0.00 0.00 0.00 43.42 45.58 1do9 n LEU 23 CO 0.48 -0.28 -0.35 -0.63 -0.00 0.00 0.00 177.39 176.61 1do9 s ILE 24 N -2.23 1.73 -0.37 1.47 1.01 0.30 -2.29 121.20 120.83 1do9 s ILE 24 Ca 0.15 -1.86 -0.09 0.00 0.00 0.00 0.00 60.65 58.85 1do9 s ILE 24 Cb -0.02 -2.23 0.04 0.00 0.01 0.00 0.00 42.46 40.27 1do9 s ILE 24 CO 0.03 -0.53 0.17 -0.76 0.00 0.00 0.00 174.94 173.85 1do9 s LEU 25 N 1.20 4.65 -0.73 2.97 1.43 -0.94 -1.65 118.68 125.61 1do9 s LEU 25 Ca 0.07 -1.17 -0.01 0.00 -1.03 0.00 0.00 54.13 52.00 1do9 s LEU 25 Cb -0.18 -1.95 -0.01 0.00 0.03 0.00 0.00 46.19 44.08 1do9 s LEU 25 CO -0.13 -0.39 0.69 1.41 0.23 0.00 0.00 176.35 178.15 1do9 n HIS 26 N 4.90 -2.80 -3.80 0.29 8.25 -1.26 -3.03 115.22 117.76 1do9 n HIS 26 Ca -0.12 1.06 -0.24 0.00 -0.26 0.00 0.00 57.72 58.17 1do9 n HIS 26 Cb 0.45 -4.00 -0.05 0.00 1.12 0.00 0.00 29.99 27.50 1do9 n HIS 26 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1do9 n HIS 27 N -1.87 -0.88 -3.79 4.41 8.25 -1.26 -4.93 115.22 115.15 1do9 n HIS 27 Ca -0.01 0.35 -0.09 0.00 -0.26 0.00 0.00 57.72 57.71 1do9 n HIS 27 Cb 0.51 -1.93 -0.06 0.00 1.12 0.00 0.00 29.99 29.63 1do9 n HIS 27 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1do9 s LYS 28 N -6.16 0.99 -0.21 -0.41 3.01 -1.17 -4.33 119.74 111.47 1do9 s LYS 28 Ca 0.06 -0.89 -0.03 0.00 -1.01 0.00 0.00 55.97 54.10 1do9 s LYS 28 Cb -0.03 0.40 -0.00 0.00 -1.01 0.00 0.00 37.83 37.19 1do9 s LYS 28 CO 0.69 -0.36 -0.08 0.08 0.51 0.00 0.00 175.35 176.19 1do9 s VAL 29 N -3.86 3.02 0.21 3.17 1.01 -0.54 -2.21 120.40 121.21 1do9 s VAL 29 Ca 0.06 -0.62 0.10 0.00 0.00 0.00 0.00 61.98 61.52 1do9 s VAL 29 Cb 0.03 -2.36 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 1do9 s VAL 29 CO -0.09 0.45 -0.14 -0.31 0.00 0.00 0.00 175.10 175.00 1do9 s TYR 30 N 1.43 2.49 -0.21 5.22 1.51 -0.97 -1.05 117.35 125.77 1do9 s TYR 30 Ca 0.05 -0.28 0.00 0.00 -1.01 0.00 0.00 57.07 55.84 1do9 s TYR 30 Cb -0.14 -1.19 0.05 0.00 -0.11 0.00 0.00 41.96 40.57 1do9 s TYR 30 CO -0.06 0.55 -0.07 0.34 -1.11 0.00 0.00 175.55 175.21 1do9 s ASP 31 N -2.99 3.49 -0.18 2.29 -1.08 -0.17 -2.06 116.67 115.97 1do9 s ASP 31 Ca 0.25 -0.98 0.13 0.00 -0.52 0.00 0.00 52.55 51.43 1do9 s ASP 31 Cb -0.08 -1.14 0.40 0.00 -1.46 0.00 0.00 42.92 40.65 1do9 s ASP 31 CO 0.14 -0.20 1.20 0.18 0.52 0.00 0.00 175.17 177.02 1do9 n LEU 32 N 4.72 2.52 0.52 -1.34 4.77 -0.96 -4.68 117.00 122.55 1do9 n LEU 32 Ca -0.13 -3.65 -0.20 0.00 -0.03 0.00 0.00 56.01 52.00 1do9 n LEU 32 Cb 0.46 -0.48 -0.10 0.00 -2.33 0.00 0.00 43.42 40.97 1do9 n LEU 32 CO 0.18 1.25 0.53 0.74 -1.33 0.00 0.00 177.39 178.76 1do9 h THR 33 N 1.31 0.00 0.00 -5.08 2.02 -1.94 0.36 112.91 109.58 1do9 h THR 33 Ca -0.01 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.16 1do9 h THR 33 Cb 1.06 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.47 1do9 h THR 33 CO 0.01 0.00 0.00 1.17 0.37 0.00 0.00 175.52 177.07 1do9 n LYS 34 N -5.57 0.24 0.01 6.66 0.00 -1.26 -1.34 118.16 116.89 1do9 n LYS 34 Ca -0.16 0.13 0.11 0.00 0.00 0.00 0.00 58.31 58.39 1do9 n LYS 34 Cb 0.52 -1.50 0.02 0.00 0.00 0.00 0.00 35.03 34.07 1do9 n LYS 34 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1do9 n PHE 35 N -1.27 0.07 0.00 5.64 7.35 -0.73 -4.44 117.46 124.08 1do9 n PHE 35 Ca 0.08 0.02 0.00 0.00 -0.76 0.00 0.00 57.45 56.79 1do9 n PHE 35 Cb 0.12 -0.21 0.00 0.00 0.35 0.00 0.00 39.48 39.75 1do9 n PHE 35 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1do9 n LEU 36 N -1.66 0.00 0.00 -2.13 4.77 0.12 0.07 117.00 118.17 1do9 n LEU 36 Ca 0.03 0.68 0.03 0.00 -0.03 0.00 0.00 56.01 56.73 1do9 n LEU 36 Cb 0.37 -0.18 0.14 0.00 -2.33 0.00 0.00 43.42 41.41 1do9 n LEU 36 CO 0.40 -0.18 0.55 -0.62 -1.33 0.00 0.00 177.39 176.21 1do9 n GLU 37 N -1.45 0.05 -0.26 3.23 -0.58 -1.26 -1.11 120.64 119.25 1do9 n GLU 37 Ca 0.00 0.31 0.11 0.00 -0.42 0.00 0.00 57.16 57.16 1do9 n GLU 37 Cb 0.00 -1.50 0.27 0.00 -0.57 0.00 0.00 31.44 29.64 1do9 n GLU 37 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1do9 n GLU 38 N -1.38 2.49 -3.15 3.49 2.13 -0.00 -4.90 120.64 119.32 1do9 n GLU 38 Ca 0.02 -2.29 -0.43 0.00 0.66 0.00 0.00 57.16 55.12 1do9 n GLU 38 Cb 0.06 -1.51 -0.07 0.00 0.27 0.00 0.00 31.44 30.18 1do9 n GLU 38 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 1do9 s HIS 39 N -1.32 3.08 -1.15 4.31 2.46 0.11 -4.97 115.29 117.81 1do9 s HIS 39 Ca 0.42 -0.18 -0.22 0.00 0.47 0.00 0.00 55.06 55.55 1do9 s HIS 39 Cb 0.23 -3.29 -0.03 0.00 -0.13 0.00 0.00 32.58 29.36 1do9 s HIS 39 CO 0.31 -0.86 1.86 -1.25 -2.47 0.00 0.00 174.74 172.32 1do9 s PRO 40 N 2.67 2.92 0.00 2.88 0.04 -1.26 -3.61 135.00 138.64 1do9 s PRO 40 Ca 0.20 -1.20 0.00 0.00 0.04 0.00 0.00 61.00 60.04 1do9 s PRO 40 Cb -0.15 -5.29 0.00 0.00 0.04 0.00 0.00 34.50 29.10 1do9 s PRO 40 CO 0.17 -3.36 0.00 0.41 0.04 0.00 0.00 177.00 174.26 1do9 n GLY 41 N 5.98 -0.60 0.00 0.56 0.00 -1.26 -5.14 105.19 104.73 1do9 n GLY 41 Ca 0.44 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.81 1do9 n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1do9 n GLY 42 N 0.00 3.09 1.60 -0.02 0.00 -1.24 -5.09 105.19 103.53 1do9 n GLY 42 Ca 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.92 1do9 n GLY 42 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1do9 n GLU 43 N 0.00 0.00 -0.27 1.61 4.71 -1.26 -4.52 120.64 120.91 1do9 n GLU 43 Ca 0.00 0.00 0.19 0.00 -0.01 0.00 0.00 57.16 57.34 1do9 n GLU 43 Cb 0.00 -0.01 0.49 0.00 -1.01 0.00 0.00 31.44 30.91 1do9 n GLU 43 CO 0.00 0.00 0.00 1.05 0.09 0.00 0.00 177.13 178.27 1do9 h GLU 44 N 0.00 0.43 -0.41 3.49 -0.00 -1.98 0.33 114.58 116.44 1do9 h GLU 44 Ca 0.00 -0.03 -0.10 0.00 -0.00 0.00 0.00 59.36 59.24 1do9 h GLU 44 Cb 0.00 -0.10 -0.02 0.00 -0.00 0.00 0.00 28.75 28.63 1do9 h GLU 44 CO 0.00 0.29 -0.14 -0.39 -0.00 0.00 0.00 179.01 178.77 1do9 h VAL 45 N 0.45 1.26 0.00 -1.06 -1.51 -2.00 0.16 116.25 113.55 1do9 h VAL 45 Ca 0.51 -1.19 0.00 0.00 -1.23 0.00 0.00 66.70 64.79 1do9 h VAL 45 Cb 1.21 1.09 0.00 0.00 -2.13 0.00 0.00 31.29 31.46 1do9 h VAL 45 CO -0.22 0.40 0.00 -0.07 -1.23 0.00 0.00 177.57 176.45 1do9 h LEU 46 N 0.67 0.00 -0.03 4.19 3.38 -0.68 -2.28 115.31 120.56 1do9 h LEU 46 Ca 0.11 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.86 1do9 h LEU 46 Cb 0.61 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 1do9 h LEU 46 CO 0.04 0.00 -1.03 0.03 0.09 0.00 0.00 178.44 177.57 1do9 h ARG 47 N 0.00 0.08 0.00 1.13 3.08 -0.59 -2.03 114.38 116.06 1do9 h ARG 47 Ca 0.00 -0.13 -0.06 0.00 0.07 0.00 0.00 59.98 59.86 1do9 h ARG 47 Cb 0.27 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 1do9 h ARG 47 CO 0.00 1.03 -0.27 0.93 -1.07 0.00 0.00 179.97 180.60 1do9 h GLU 48 N 0.03 0.00 -0.15 0.04 4.39 -0.42 -2.60 114.58 115.86 1do9 h GLU 48 Ca -0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1do9 h GLU 48 Cb 1.77 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.42 1do9 h GLU 48 CO 0.15 0.27 0.00 1.04 -1.16 0.00 0.00 179.01 179.31 1do9 n GLN 49 N -3.57 2.31 -1.73 2.33 1.13 -1.21 -4.99 117.38 111.65 1do9 n GLN 49 Ca -0.01 -1.61 -0.40 0.00 -1.94 0.00 0.00 57.00 53.04 1do9 n GLN 49 Cb 0.41 -1.14 0.02 0.00 0.11 0.00 0.00 30.24 29.64 1do9 n GLN 49 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1do9 n ALA 50 N 0.11 1.59 -1.35 -1.58 0.00 -0.76 -1.11 120.51 117.41 1do9 n ALA 50 Ca 0.06 0.21 -0.13 0.00 0.00 0.00 0.00 53.44 53.57 1do9 n ALA 50 Cb 0.31 -2.33 -0.06 0.00 0.00 0.00 0.00 19.45 17.37 1do9 n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1do9 n GLY 51 N 0.73 1.26 3.06 0.00 0.00 -0.18 -4.88 105.19 105.18 1do9 n GLY 51 Ca 0.07 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.95 1do9 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1do9 n GLY 52 N -0.14 2.36 3.59 -0.02 0.00 -0.27 -4.35 105.19 106.36 1do9 n GLY 52 Ca -0.13 -1.65 -0.43 0.00 0.00 0.00 0.00 46.02 43.80 1do9 n GLY 52 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1do9 s ASP 53 N -3.02 6.63 0.00 1.61 -1.08 -1.26 -0.54 116.67 119.01 1do9 s ASP 53 Ca 0.29 0.44 0.15 0.00 -0.52 0.00 0.00 52.55 52.90 1do9 s ASP 53 Cb -0.00 -2.50 0.03 0.00 -1.46 0.00 0.00 42.92 38.98 1do9 s ASP 53 CO 0.20 -1.09 0.85 0.00 0.52 0.00 0.00 175.17 175.66 1do9 n ALA 54 N 7.35 2.92 -0.35 3.66 0.00 -0.66 -4.56 120.51 128.88 1do9 n ALA 54 Ca 0.09 -0.54 0.01 0.00 0.00 0.00 0.00 53.44 53.00 1do9 n ALA 54 Cb 0.48 -0.51 0.17 0.00 0.00 0.00 0.00 19.45 19.59 1do9 n ALA 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1do9 h THR 55 N 1.99 1.16 -0.98 0.00 1.03 -1.85 0.07 112.91 114.33 1do9 h THR 55 Ca 0.00 -0.42 0.09 0.00 -0.01 0.00 0.00 66.41 66.07 1do9 h THR 55 Cb 0.53 -0.15 -0.07 0.00 -1.07 0.00 0.00 68.15 67.39 1do9 h THR 55 CO 0.00 0.22 0.62 -0.33 -0.01 0.00 0.00 175.52 176.02 1do9 h GLU 56 N 1.21 1.04 0.08 0.00 4.39 -1.90 0.28 114.58 119.68 1do9 h GLU 56 Ca 0.38 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 60.02 1do9 h GLU 56 Cb 0.01 -0.24 0.00 0.00 -0.10 0.00 0.00 28.75 28.43 1do9 h GLU 56 CO -0.12 0.69 -0.04 -0.91 -1.16 0.00 0.00 179.01 177.47 1do9 h ASN 57 N 1.08 -0.09 -0.65 1.42 4.21 -1.59 -0.50 115.58 119.46 1do9 h ASN 57 Ca 0.45 0.00 0.20 0.00 1.21 0.00 0.00 56.30 58.16 1do9 h ASN 57 Cb 0.29 0.02 -0.12 0.00 -1.12 0.00 0.00 38.32 37.40 1do9 h ASN 57 CO -0.21 0.01 0.09 0.33 -1.29 0.00 0.00 177.43 176.35 1do9 n PHE 58 N -2.70 0.49 0.00 1.19 7.35 -0.09 -1.82 117.46 121.87 1do9 n PHE 58 Ca -0.01 0.78 -0.20 0.00 -0.76 0.00 0.00 57.45 57.25 1do9 n PHE 58 Cb 0.04 -1.03 -0.14 0.00 0.35 0.00 0.00 39.48 38.70 1do9 n PHE 58 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 1do9 h GLU 59 N 0.00 0.22 -0.63 -4.13 4.39 -1.01 -2.97 114.58 110.44 1do9 h GLU 59 Ca 0.43 -0.37 0.11 0.00 0.34 0.00 0.00 59.36 59.87 1do9 h GLU 59 Cb 0.95 0.14 -0.08 0.00 -0.10 0.00 0.00 28.75 29.65 1do9 h GLU 59 CO -0.58 1.18 0.19 -0.44 -1.16 0.00 0.00 179.01 178.19 1do9 h ASP 60 N -0.44 0.11 0.42 1.42 3.32 -0.50 0.13 116.42 120.89 1do9 h ASP 60 Ca -0.24 0.10 -0.17 0.00 0.02 0.00 0.00 57.03 56.75 1do9 h ASP 60 Cb 1.63 0.12 -0.01 0.00 0.22 0.00 0.00 39.33 41.28 1do9 h ASP 60 CO 0.06 0.06 -0.71 1.62 -1.72 0.00 0.00 179.24 178.54 1do9 h VAL 61 N 0.33 1.42 -2.83 -1.35 3.04 -1.51 -3.48 116.25 111.87 1do9 h VAL 61 Ca 0.33 -2.22 -0.00 0.00 -1.01 0.00 0.00 66.70 63.80 1do9 h VAL 61 Cb 0.48 2.17 0.00 0.00 -2.01 0.00 0.00 31.29 31.93 1do9 h VAL 61 CO -0.38 0.65 -0.01 0.61 -1.01 0.00 0.00 177.57 177.43 1do9 n GLY 62 N 0.51 0.79 0.00 3.17 0.00 0.03 -4.97 105.19 104.72 1do9 n GLY 62 Ca -0.03 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.68 1do9 n GLY 62 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1do9 n HIS 63 N -1.43 0.00 0.00 1.61 8.25 -1.21 -5.00 115.22 117.44 1do9 n HIS 63 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1do9 n HIS 63 Cb 0.50 -0.11 0.00 0.00 1.12 0.00 0.00 29.99 31.50 1do9 n HIS 63 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1do9 n SER 64 N -1.32 0.00 -0.02 0.41 3.41 -1.26 -4.98 113.62 109.85 1do9 n SER 64 Ca 0.00 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.45 1do9 n SER 64 Cb 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 63.83 1do9 n SER 64 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1do9 h THR 65 N 1.05 1.60 -0.29 6.66 2.02 -1.99 -2.63 112.91 119.33 1do9 h THR 65 Ca 0.00 -2.13 0.03 0.00 0.77 0.00 0.00 66.41 65.08 1do9 h THR 65 Cb 0.00 2.98 -0.02 0.00 -1.74 0.00 0.00 68.15 69.38 1do9 h THR 65 CO 0.00 0.58 0.20 0.44 0.37 0.00 0.00 175.52 177.11 1do9 h ASP 66 N -0.60 0.22 -0.17 4.18 5.19 -1.99 0.93 116.42 124.19 1do9 h ASP 66 Ca -0.04 -0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.35 1do9 h ASP 66 Cb 1.10 -0.05 -0.01 0.00 0.18 0.00 0.00 39.33 40.55 1do9 h ASP 66 CO 0.05 0.16 0.05 0.00 -3.12 0.00 0.00 179.24 176.37 1do9 h ALA 67 N 1.84 0.22 -0.46 3.45 0.00 -1.94 -1.83 119.26 120.54 1do9 h ALA 67 Ca 0.12 -0.14 0.13 0.00 0.00 0.00 0.00 54.91 55.02 1do9 h ALA 67 Cb 0.16 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1do9 h ALA 67 CO -0.02 -0.15 0.39 0.00 0.00 0.00 0.00 179.25 179.47 1do9 h ARG 68 N 0.08 0.00 0.11 0.00 3.08 -0.45 -2.23 114.38 114.97 1do9 h ARG 68 Ca 0.05 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 59.84 1do9 h ARG 68 Cb 0.25 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.32 1do9 h ARG 68 CO -0.00 0.00 -1.10 0.93 -1.07 0.00 0.00 179.97 178.73 1do9 h GLU 69 N 0.00 0.54 -0.75 0.04 5.08 -0.54 -3.24 114.58 115.72 1do9 h GLU 69 Ca 0.22 -0.74 0.14 0.00 -1.00 0.00 0.00 59.36 57.98 1do9 h GLU 69 Cb 1.00 0.25 -0.05 0.00 0.50 0.00 0.00 28.75 30.45 1do9 h GLU 69 CO -0.00 1.33 0.50 -0.07 -1.00 0.00 0.00 179.01 179.76 1do9 h LEU 70 N 0.11 0.41 -1.07 1.33 3.38 -0.78 0.21 115.31 118.91 1do9 h LEU 70 Ca -0.17 0.02 0.17 0.00 0.09 0.00 0.00 57.88 57.99 1do9 h LEU 70 Cb 1.80 -0.06 -0.09 0.00 0.09 0.00 0.00 40.66 42.40 1do9 h LEU 70 CO 0.21 0.22 0.62 0.28 0.09 0.00 0.00 178.44 179.85 1do9 h SER 71 N 0.44 0.78 0.15 -0.43 0.02 -1.54 -0.73 113.55 112.25 1do9 h SER 71 Ca 0.36 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.39 1do9 h SER 71 Cb 0.79 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.26 1do9 h SER 71 CO -0.12 0.33 0.00 1.17 -1.14 0.00 0.00 176.83 177.07 1do9 n LYS 72 N -4.69 0.00 -0.30 3.45 0.00 0.75 -0.88 118.16 116.50 1do9 n LYS 72 Ca 0.21 0.41 0.07 0.00 0.00 0.00 0.00 58.31 59.01 1do9 n LYS 72 Cb 0.52 -1.50 0.21 0.00 0.00 0.00 0.00 35.03 34.25 1do9 n LYS 72 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.40 175.03 1do9 n THR 73 N -1.49 1.51 0.00 3.15 5.66 -0.28 -4.63 114.28 118.19 1do9 n THR 73 Ca 0.01 -1.32 0.00 0.00 -3.05 0.00 0.00 64.05 59.69 1do9 n THR 73 Cb 0.05 0.21 0.00 0.00 -1.55 0.00 0.00 70.33 69.05 1do9 n THR 73 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 175.07 172.51 1do9 n PHE 74 N 0.22 0.00 -1.60 1.09 3.72 -0.06 -5.03 117.46 115.80 1do9 n PHE 74 Ca 0.16 0.00 -0.47 0.00 -0.05 0.00 0.00 57.45 57.09 1do9 n PHE 74 Cb 0.62 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 39.12 1do9 n PHE 74 CO 0.00 0.00 0.00 1.51 -0.05 0.00 0.00 176.76 178.22 1do9 n ILE 75 N -0.58 0.45 1.07 4.37 3.06 -0.43 -1.00 119.36 126.30 1do9 n ILE 75 Ca 0.00 -0.25 0.12 0.00 -2.50 0.00 0.00 62.75 60.12 1do9 n ILE 75 Cb 0.05 -2.08 0.14 0.00 0.54 0.00 0.00 39.64 38.29 1do9 n ILE 75 CO 0.00 0.00 0.00 2.30 -2.50 0.00 0.00 176.55 176.35 1do9 n ILE 76 N 6.41 0.00 -2.45 9.51 -6.64 -0.21 -4.84 119.36 121.14 1do9 n ILE 76 Ca 0.29 -0.41 0.00 0.00 -1.77 0.00 0.00 62.75 60.86 1do9 n ILE 76 Cb 0.34 1.29 0.00 0.00 -1.44 0.00 0.00 39.64 39.82 1do9 n ILE 76 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1do9 n GLY 77 N 1.34 -0.49 3.16 3.28 0.00 -1.01 -3.89 105.19 107.57 1do9 n GLY 77 Ca 0.14 -0.98 -0.10 0.00 0.00 0.00 0.00 46.02 45.08 1do9 n GLY 77 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1do9 s GLU 78 N -1.96 0.79 0.90 1.61 2.12 -1.26 -1.46 118.70 119.44 1do9 s GLU 78 Ca 0.00 -1.31 -0.10 0.00 0.36 0.00 0.00 54.97 53.91 1do9 s GLU 78 Cb 0.00 -0.13 0.14 0.00 0.26 0.00 0.00 34.13 34.40 1do9 s GLU 78 CO 0.00 -0.03 1.15 -0.51 -0.54 0.00 0.00 175.26 175.33 1do9 s LEU 79 N -3.02 2.89 1.01 2.70 2.01 -1.26 -1.76 118.68 121.24 1do9 s LEU 79 Ca 0.11 2.21 -0.12 0.00 0.01 0.00 0.00 54.13 56.34 1do9 s LEU 79 Cb 0.06 -4.57 0.20 0.00 0.01 0.00 0.00 46.19 41.88 1do9 s LEU 79 CO -0.06 -3.04 1.08 -1.00 1.01 0.00 0.00 176.35 174.34 1do9 s HIS 80 N -2.59 1.82 0.23 0.29 3.76 0.62 -4.59 115.29 114.83 1do9 s HIS 80 Ca 0.67 1.29 0.36 0.00 -0.15 0.00 0.00 55.06 57.24 1do9 s HIS 80 Cb -0.23 -3.18 1.65 0.00 1.11 0.00 0.00 32.58 31.93 1do9 s HIS 80 CO 0.57 -3.06 2.08 -1.00 -0.85 0.00 0.00 174.74 172.48 1do9 h PRO 81 N -2.04 0.00 -0.79 8.40 0.13 -1.94 -2.02 132.00 133.74 1do9 h PRO 81 Ca -0.53 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.59 1do9 h PRO 81 Cb 1.30 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.40 1do9 h PRO 81 CO 0.51 0.00 0.47 -0.44 -0.23 0.00 0.00 178.00 178.31 1do9 h ASP 82 N 0.00 0.95 0.68 1.44 5.19 -1.91 -0.42 116.42 122.35 1do9 h ASP 82 Ca 0.00 -0.07 -0.01 0.00 -0.62 0.00 0.00 57.03 56.33 1do9 h ASP 82 Cb 0.36 -0.24 -0.00 0.00 0.18 0.00 0.00 39.33 39.63 1do9 h ASP 82 CO 0.00 0.74 -0.03 -0.78 -3.12 0.00 0.00 179.24 176.05 1do9 h ASP 83 N 1.08 0.00 -0.56 6.45 3.58 -1.64 0.04 116.42 125.37 1do9 h ASP 83 Ca 0.28 0.00 -0.36 0.00 0.42 0.00 0.00 57.03 57.37 1do9 h ASP 83 Cb -0.03 0.00 -0.16 0.00 1.72 0.00 0.00 39.33 40.86 1do9 h ASP 83 CO -0.05 0.03 0.47 -1.14 -2.88 0.00 0.00 179.24 175.67 1do9 n ARG 84 N -3.17 1.90 -1.01 0.28 0.63 -0.17 -4.72 116.66 110.40 1do9 n ARG 84 Ca -0.01 -1.81 0.00 0.00 -0.92 0.00 0.00 57.85 55.12 1do9 n ARG 84 Cb 0.25 -1.71 0.00 0.00 0.45 0.00 0.00 32.46 31.45 1do9 n ARG 84 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1do9 n SER 85 N 0.03 -1.01 -2.78 6.15 2.88 -1.17 -5.03 113.62 112.70 1do9 n SER 85 Ca 0.35 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.79 1do9 n SER 85 Cb 0.70 -0.25 0.08 0.00 -0.75 0.00 0.00 64.21 63.99 1do9 n SER 85 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1do9 n LYS 86 N -0.50 1.07 -4.65 -1.46 4.76 -0.01 -4.99 118.16 112.38 1do9 n LYS 86 Ca 0.00 -2.21 -0.31 0.00 -2.87 0.00 0.00 58.31 52.92 1do9 n LYS 86 Cb 0.25 -0.87 -0.17 0.00 -1.84 0.00 0.00 35.03 32.40 1do9 n LYS 86 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1do9 s LEU 87 N -2.61 1.97 0.00 -0.35 1.43 -1.22 -4.44 118.68 113.46 1do9 s LEU 87 Ca 0.25 -0.54 0.00 0.00 -1.03 0.00 0.00 54.13 52.81 1do9 s LEU 87 Cb 0.34 -1.31 0.00 0.00 0.03 0.00 0.00 46.19 45.25 1do9 s LEU 87 CO -0.06 0.06 0.00 -1.20 0.23 0.00 0.00 176.35 175.39 1do9 n SER 88 N 4.06 -5.37 -3.25 2.29 7.64 -1.26 -4.97 113.62 112.76 1do9 n SER 88 Ca -0.20 0.71 0.04 0.00 1.01 0.00 0.00 58.87 60.43 1do9 n SER 88 Cb 0.52 -2.10 -0.02 0.00 -1.01 0.00 0.00 64.21 61.59 1do9 n SER 88 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1do9 s LYS 89 N -1.21 0.32 -0.29 1.43 2.47 -1.26 -5.11 119.74 116.09 1do9 s LYS 89 Ca 0.00 0.65 -0.29 0.00 -1.56 0.00 0.00 55.97 54.77 1do9 s LYS 89 Cb 0.00 0.37 -0.02 0.00 -1.46 0.00 0.00 37.83 36.73 1do9 s LYS 89 CO 0.00 -0.26 1.66 -1.25 0.16 0.00 0.00 175.35 175.66 1do9 s PRO 90 N 2.77 3.58 0.13 4.03 0.04 -1.26 -4.98 135.00 139.32 1do9 s PRO 90 Ca 0.03 1.47 0.05 0.00 0.04 0.00 0.00 61.00 62.59 1do9 s PRO 90 Cb -0.10 -4.10 -0.04 0.00 0.04 0.00 0.00 34.50 30.30 1do9 s PRO 90 CO -0.16 -1.56 -0.11 1.41 0.04 0.00 0.00 177.00 176.63 1do9 s MET 91 N 5.10 1.01 0.17 4.56 1.75 -1.26 -5.17 119.30 125.46 1do9 s MET 91 Ca 0.74 -1.33 -0.07 0.00 -1.25 0.00 0.00 55.69 53.78 1do9 s MET 91 Cb -0.22 -0.70 -0.02 0.00 2.84 0.00 0.00 34.83 36.72 1do9 s MET 91 CO 0.32 0.11 0.24 -1.83 -0.65 0.00 0.00 175.02 173.20 1do9 s GLU 92 N -3.21 1.16 0.35 4.11 4.04 -1.26 -5.10 118.70 118.79 1do9 s GLU 92 Ca 0.12 -1.31 0.00 0.00 0.04 0.00 0.00 54.97 53.82 1do9 s GLU 92 Cb -0.01 0.34 0.00 0.00 0.02 0.00 0.00 34.13 34.48 1do9 s GLU 92 CO 0.01 -0.41 0.00 2.41 -1.84 0.00 0.00 175.26 175.43 1do9 n THR 93 N -0.22 0.00 -1.45 1.83 -1.04 -1.26 -5.33 114.28 106.81 1do9 n THR 93 Ca -0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 1do9 n THR 93 Cb 0.63 -0.34 0.00 0.00 -1.82 0.00 0.00 70.33 68.80 1do9 n THR 93 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32