#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dex n HIS 11 N 0.00 -1.46 -0.58 0.54 8.25 -1.19 -4.93 115.22 115.85 3dex n HIS 11 Ca 0.00 0.51 0.01 0.00 -0.26 0.00 0.00 57.72 57.98 3dex n HIS 11 Cb 0.00 -3.03 0.02 0.00 1.12 0.00 0.00 29.99 28.09 3dex n HIS 11 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3dex n THR 12 N -3.77 0.70 -5.07 1.59 -2.24 -1.23 -4.01 114.28 100.26 3dex n THR 12 Ca 0.00 -0.75 -0.32 0.00 -2.27 0.00 0.00 64.05 60.72 3dex n THR 12 Cb 0.53 0.58 -0.15 0.00 -2.10 0.00 0.00 70.33 69.19 3dex n THR 12 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3dex s HIS 13 N -0.81 2.56 0.01 4.78 3.76 -1.14 -4.87 115.29 119.57 3dex s HIS 13 Ca 0.04 -0.38 0.04 0.00 -0.15 0.00 0.00 55.06 54.61 3dex s HIS 13 Cb 0.03 -1.61 -0.03 0.00 1.11 0.00 0.00 32.58 32.08 3dex s HIS 13 CO 0.00 0.02 -0.09 0.50 -0.85 0.00 0.00 174.74 174.32 3dex s ARG 14 N -0.50 2.45 0.01 1.40 3.52 -1.26 -0.20 118.95 124.36 3dex s ARG 14 Ca 0.06 -0.78 0.05 0.00 -0.13 0.00 0.00 55.73 54.94 3dex s ARG 14 Cb -0.11 -2.43 -0.02 0.00 -1.56 0.00 0.00 34.95 30.83 3dex s ARG 14 CO 0.01 0.59 -0.16 0.08 -0.81 0.00 0.00 175.30 175.01 3dex s VAL 15 N -0.97 1.24 0.00 7.11 1.01 -0.98 -1.41 120.40 126.40 3dex s VAL 15 Ca 0.16 -0.84 0.02 0.00 0.00 0.00 0.00 61.98 61.33 3dex s VAL 15 Cb -0.11 -1.07 -0.01 0.00 0.00 0.00 0.00 36.38 35.20 3dex s VAL 15 CO 0.07 0.22 -0.07 -1.58 0.00 0.00 0.00 175.10 173.74 3dex s GLN 16 N -0.72 0.52 -0.17 2.72 0.74 -0.02 -0.47 119.66 122.26 3dex s GLN 16 Ca 0.05 -0.29 0.00 0.00 0.05 0.00 0.00 55.36 55.17 3dex s GLN 16 Cb -0.07 -0.48 0.04 0.00 1.10 0.00 0.00 33.01 33.60 3dex s GLN 16 CO 0.00 0.13 -0.10 0.42 -0.55 0.00 0.00 175.29 175.19 3dex s ILE 17 N -0.29 1.47 -0.32 -2.34 1.01 0.32 -0.42 121.20 120.63 3dex s ILE 17 Ca 0.01 -0.78 -0.09 0.00 0.00 0.00 0.00 60.65 59.79 3dex s ILE 17 Cb -0.03 -1.52 0.00 0.00 0.01 0.00 0.00 42.46 40.92 3dex s ILE 17 CO -0.00 0.25 0.14 -0.70 0.00 0.00 0.00 174.94 174.63 3dex s GLU 18 N 1.49 3.18 0.02 2.79 2.12 -0.40 -0.82 118.70 127.08 3dex s GLU 18 Ca 0.01 -0.82 0.05 0.00 0.36 0.00 0.00 54.97 54.57 3dex s GLU 18 Cb -0.15 -3.55 -0.03 0.00 0.26 0.00 0.00 34.13 30.66 3dex s GLU 18 CO -0.09 -0.48 -0.11 1.52 -0.54 0.00 0.00 175.26 175.56 3dex s TYR 19 N 1.57 2.75 -0.15 5.30 1.13 -1.06 -1.07 117.35 125.84 3dex s TYR 19 Ca 0.04 -0.13 -0.29 0.00 -1.41 0.00 0.00 57.07 55.27 3dex s TYR 19 Cb -0.17 -1.55 -0.04 0.00 -1.10 0.00 0.00 41.96 39.10 3dex s TYR 19 CO 0.05 0.32 1.58 0.00 -2.51 0.00 0.00 175.55 175.00 3dex h THR 21 N 5.83 1.29 -0.30 0.00 1.03 -1.59 -2.95 112.91 116.21 3dex h THR 21 Ca -0.35 -1.16 -0.02 0.00 -0.01 0.00 0.00 66.41 64.87 3dex h THR 21 Cb 1.16 1.47 -0.02 0.00 -1.07 0.00 0.00 68.15 69.69 3dex h THR 21 CO 0.98 0.37 0.10 1.56 -0.01 0.00 0.00 175.52 178.52 3dex h GLN 22 N 0.30 0.42 0.00 0.00 1.08 -1.80 -1.53 115.11 113.59 3dex h GLN 22 Ca 0.07 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 3dex h GLN 22 Cb 0.60 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.95 3dex h GLN 22 CO 0.03 0.37 0.00 0.00 -0.95 0.00 0.00 178.83 178.29 3dex n ARG 24 N -0.70 -5.53 -0.59 0.00 5.12 -0.57 -4.89 116.66 109.49 3dex n ARG 24 Ca 0.08 0.66 0.10 0.00 -1.93 0.00 0.00 57.85 56.75 3dex n ARG 24 Cb 0.04 -5.40 0.36 0.00 -1.16 0.00 0.00 32.46 26.30 3dex n ARG 24 CO 0.00 0.00 0.00 0.91 -1.93 0.00 0.00 177.63 176.61 3dex n TRP 25 N -4.44 1.44 0.07 -1.55 8.01 -1.12 -4.48 117.44 115.38 3dex n TRP 25 Ca -0.18 -0.60 -0.13 0.00 -1.31 0.00 0.00 57.50 55.28 3dex n TRP 25 Cb 0.63 -0.22 -0.07 0.00 -2.01 0.00 0.00 31.31 29.63 3dex n TRP 25 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.69 177.93 3dex h LEU 26 N 4.10 -0.08 -0.73 -0.99 5.85 -1.88 -1.87 115.31 119.70 3dex h LEU 26 Ca 0.00 -0.00 0.10 0.00 0.84 0.00 0.00 57.88 58.82 3dex h LEU 26 Cb 1.41 0.02 -0.07 0.00 0.37 0.00 0.00 40.66 42.39 3dex h LEU 26 CO 0.21 -0.05 0.37 1.55 -0.34 0.00 0.00 178.44 180.18 3dex h PRO 27 N -0.10 0.59 0.00 5.25 0.13 -2.00 0.26 132.00 136.14 3dex h PRO 27 Ca -0.01 -0.04 -0.07 0.00 -0.87 0.00 0.00 66.00 65.01 3dex h PRO 27 Cb 0.07 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 31.06 3dex h PRO 27 CO 0.02 0.39 -0.34 0.07 -0.23 0.00 0.00 178.00 177.91 3dex h ARG 28 N 0.61 0.00 -0.14 0.86 0.11 -1.84 -0.51 114.38 113.47 3dex h ARG 28 Ca 0.37 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 60.36 3dex h ARG 28 Cb 0.40 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.48 3dex h ARG 28 CO -0.28 0.34 -0.26 0.00 0.10 0.00 0.00 179.97 179.87 3dex h ALA 29 N 1.66 0.21 -0.88 0.08 0.00 -0.38 -2.13 119.26 117.84 3dex h ALA 29 Ca -0.00 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 3dex h ALA 29 Cb 0.88 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.59 3dex h ALA 29 CO 0.04 0.20 0.54 0.00 0.00 0.00 0.00 179.25 180.04 3dex h ALA 30 N 0.55 1.12 -0.13 0.00 0.00 -0.21 -1.25 119.26 119.32 3dex h ALA 30 Ca 0.01 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3dex h ALA 30 Cb 0.85 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3dex h ALA 30 CO 0.06 0.56 0.08 2.35 0.00 0.00 0.00 179.25 182.30 3dex h TRP 31 N 1.20 0.18 -0.85 0.00 7.01 -1.02 -2.08 115.95 120.38 3dex h TRP 31 Ca 0.32 -0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.31 3dex h TRP 31 Cb -0.07 -0.06 -0.04 0.00 -2.10 0.00 0.00 29.16 26.89 3dex h TRP 31 CO -0.00 0.17 0.51 1.25 -2.79 0.00 0.00 178.44 177.58 3dex h LEU 32 N 0.13 1.02 -0.63 0.65 6.46 -1.11 -0.79 115.31 121.05 3dex h LEU 32 Ca 0.05 -0.06 0.03 0.00 -0.12 0.00 0.00 57.88 57.78 3dex h LEU 32 Cb 0.04 -0.26 -0.04 0.00 -0.73 0.00 0.00 40.66 39.67 3dex h LEU 32 CO -0.01 0.79 0.38 0.00 -0.62 0.00 0.00 178.44 178.98 3dex h ALA 33 N 1.39 0.82 -0.40 1.25 0.00 -0.92 0.13 119.26 121.53 3dex h ALA 33 Ca 0.31 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.15 3dex h ALA 33 Cb -0.05 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3dex h ALA 33 CO -0.06 0.12 0.04 0.37 0.00 0.00 0.00 179.25 179.72 3dex h GLN 34 N 0.75 0.67 0.01 0.00 4.15 -0.78 0.13 115.11 120.04 3dex h GLN 34 Ca 0.25 -0.19 0.01 0.00 0.77 0.00 0.00 58.65 59.49 3dex h GLN 34 Cb 0.04 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.64 3dex h GLN 34 CO -0.11 0.74 -0.08 0.93 -1.93 0.00 0.00 178.83 178.38 3dex h GLU 35 N 0.51 -0.14 -0.48 1.69 4.39 -0.44 -0.66 114.58 119.45 3dex h GLU 35 Ca 0.12 0.01 -0.11 0.00 0.34 0.00 0.00 59.36 59.72 3dex h GLU 35 Cb 0.41 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.07 3dex h GLU 35 CO 0.01 -0.09 -0.14 -0.07 -1.16 0.00 0.00 179.01 177.56 3dex h LEU 36 N -0.14 0.91 -1.01 1.33 3.38 -0.67 -2.45 115.31 116.65 3dex h LEU 36 Ca 0.03 -0.31 -0.09 0.00 0.09 0.00 0.00 57.88 57.60 3dex h LEU 36 Cb 0.18 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3dex h LEU 36 CO -0.07 1.05 -0.44 -0.07 0.09 0.00 0.00 178.44 179.00 3dex h LEU 37 N 0.81 0.00 -0.05 1.67 3.38 -0.59 0.11 115.31 120.63 3dex h LEU 37 Ca 0.12 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.87 3dex h LEU 37 Cb 0.68 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 3dex h LEU 37 CO 0.05 0.44 -1.04 0.00 0.09 0.00 0.00 178.44 177.98 3dex h THR 38 N 0.00 1.57 0.05 0.22 1.03 -1.00 -1.77 112.91 113.01 3dex h THR 38 Ca -0.00 -3.04 -0.27 0.00 -0.01 0.00 0.00 66.41 63.08 3dex h THR 38 Cb 0.87 2.76 -0.03 0.00 -1.07 0.00 0.00 68.15 70.68 3dex h THR 38 CO 0.06 0.88 -1.40 0.74 -0.01 0.00 0.00 175.52 175.78 3dex h THR 39 N 0.06 1.26 -0.10 0.00 2.02 -1.25 -3.38 112.91 111.52 3dex h THR 39 Ca -0.06 -2.98 -0.08 0.00 0.77 0.00 0.00 66.41 64.06 3dex h THR 39 Cb 1.75 2.70 -0.07 0.00 -1.74 0.00 0.00 68.15 70.78 3dex h THR 39 CO 0.16 0.78 -0.57 0.49 0.37 0.00 0.00 175.52 176.75 3dex n PHE 40 N -3.31 0.37 -0.12 3.16 3.01 0.35 -4.79 117.46 116.13 3dex n PHE 40 Ca -0.11 -1.56 0.06 0.00 1.01 0.00 0.00 57.45 56.85 3dex n PHE 40 Cb 1.01 -0.26 0.39 0.00 -0.01 0.00 0.00 39.48 40.61 3dex n PHE 40 CO 0.00 0.00 0.00 1.05 1.01 0.00 0.00 176.76 178.82 3dex h GLU 41 N 1.17 0.64 0.00 -1.08 4.11 -1.50 -0.35 114.58 117.58 3dex h GLU 41 Ca 0.04 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3dex h GLU 41 Cb 1.11 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.21 3dex h GLU 41 CO 0.11 0.43 -0.07 -2.37 0.07 0.00 0.00 179.01 177.17 3dex n THR 42 N -4.47 0.44 0.40 -1.06 5.66 -1.26 -3.75 114.28 110.25 3dex n THR 42 Ca 0.08 -0.22 0.05 0.00 -3.05 0.00 0.00 64.05 60.91 3dex n THR 42 Cb 0.19 -0.51 -0.06 0.00 -1.55 0.00 0.00 70.33 68.41 3dex n THR 42 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 3dex n GLU 43 N -2.08 3.03 -3.94 1.09 4.71 -0.66 -3.16 120.64 119.61 3dex n GLU 43 Ca 0.06 -0.02 -0.35 0.00 -0.01 0.00 0.00 57.16 56.84 3dex n GLU 43 Cb 0.41 -1.03 -0.08 0.00 -1.01 0.00 0.00 31.44 29.73 3dex n GLU 43 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 3dex s LEU 44 N -2.70 4.03 0.11 -4.62 1.43 -0.23 -2.89 118.68 113.82 3dex s LEU 44 Ca 0.03 0.22 0.01 0.00 -1.03 0.00 0.00 54.13 53.36 3dex s LEU 44 Cb 0.08 -2.01 -0.19 0.00 0.03 0.00 0.00 46.19 44.10 3dex s LEU 44 CO 0.43 0.26 1.25 0.00 0.23 0.00 0.00 176.35 178.51 3dex h THR 45 N 4.52 1.58 -1.33 5.49 1.03 -0.72 -3.41 112.91 120.07 3dex h THR 45 Ca -0.44 -3.08 0.28 0.00 -0.01 0.00 0.00 66.41 63.16 3dex h THR 45 Cb 1.18 2.79 -0.20 0.00 -1.07 0.00 0.00 68.15 70.85 3dex h THR 45 CO 0.67 0.89 0.87 -1.83 -0.01 0.00 0.00 175.52 176.11 3dex s GLU 46 N -2.82 0.21 -0.09 0.00 -1.05 -1.25 -5.02 118.70 108.69 3dex s GLU 46 Ca -0.02 -0.07 0.02 0.00 -0.15 0.00 0.00 54.97 54.74 3dex s GLU 46 Cb 0.09 0.10 0.02 0.00 -0.44 0.00 0.00 34.13 33.89 3dex s GLU 46 CO 0.85 -0.09 -0.12 -1.17 0.95 0.00 0.00 175.26 175.67 3dex s LEU 47 N -2.08 1.59 0.08 1.83 0.20 -1.26 -2.32 118.68 116.71 3dex s LEU 47 Ca 0.10 -0.34 0.06 0.00 0.69 0.00 0.00 54.13 54.64 3dex s LEU 47 Cb -0.01 -0.92 -0.04 0.00 -0.43 0.00 0.00 46.19 44.79 3dex s LEU 47 CO -0.04 -0.00 -0.08 0.00 -0.29 0.00 0.00 176.35 175.94 3dex s ALA 48 N 0.97 3.00 -0.22 5.97 0.00 0.38 -4.99 121.76 126.87 3dex s ALA 48 Ca -0.08 -1.18 -0.04 0.00 0.00 0.00 0.00 51.96 50.66 3dex s ALA 48 Cb -0.15 -0.98 -0.01 0.00 0.00 0.00 0.00 23.12 21.99 3dex s ALA 48 CO -0.00 0.64 -0.04 -0.51 0.00 0.00 0.00 175.76 175.84 3dex s LEU 49 N -2.03 2.88 -0.25 0.00 1.43 -1.26 -0.52 118.68 118.93 3dex s LEU 49 Ca 0.21 -0.39 -0.03 0.00 -1.03 0.00 0.00 54.13 52.88 3dex s LEU 49 Cb -0.11 -1.74 0.01 0.00 0.03 0.00 0.00 46.19 44.39 3dex s LEU 49 CO 0.13 -0.02 -0.03 -0.75 0.23 0.00 0.00 176.35 175.91 3dex s LYS 50 N 1.48 3.05 0.28 1.70 2.20 -0.00 -4.96 119.74 123.48 3dex s LYS 50 Ca 0.06 -0.85 -0.30 0.00 -0.36 0.00 0.00 55.97 54.52 3dex s LYS 50 Cb -0.14 -3.06 -0.12 0.00 -1.51 0.00 0.00 37.83 33.00 3dex s LYS 50 CO -0.03 -0.34 1.62 -2.30 -0.36 0.00 0.00 175.35 173.94 3dex n PRO 51 N 4.74 2.74 -4.48 4.03 -0.02 -1.26 -2.56 135.00 138.19 3dex n PRO 51 Ca -0.17 0.98 -0.30 0.00 -2.02 0.00 0.00 63.50 61.98 3dex n PRO 51 Cb 0.48 -2.77 -0.06 0.00 -0.02 0.00 0.00 33.50 31.13 3dex n PRO 51 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3dex s GLY 52 N 0.61 2.79 0.00 -1.23 0.00 0.19 -4.85 107.32 104.84 3dex s GLY 52 Ca 0.66 -0.79 0.00 0.00 0.00 0.00 0.00 44.72 44.58 3dex s GLY 52 CO 0.46 -2.11 0.00 2.41 0.00 0.00 0.00 173.10 173.86 3dex n THR 53 N -1.39 0.00 -4.98 0.90 -1.04 -1.26 -2.37 114.28 104.14 3dex n THR 53 Ca -0.13 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.57 3dex n THR 53 Cb 0.66 -0.29 -0.17 0.00 -1.82 0.00 0.00 70.33 68.71 3dex n THR 53 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 3dex s GLY 54 N 0.00 1.24 0.00 3.41 0.00 -1.26 -3.95 107.32 106.76 3dex s GLY 54 Ca 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 44.72 43.82 3dex s GLY 54 CO 0.00 -0.18 0.00 0.61 0.00 0.00 0.00 173.10 173.53 3dex n GLY 55 N 3.70 0.18 3.71 0.20 0.00 -1.26 -4.95 105.19 106.78 3dex n GLY 55 Ca -0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 3dex n GLY 55 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dex s VAL 56 N -1.52 4.32 -0.36 1.61 1.01 -1.26 -4.81 120.40 119.39 3dex s VAL 56 Ca 0.00 1.66 0.04 0.00 0.00 0.00 0.00 61.98 63.69 3dex s VAL 56 Cb 0.00 -4.07 0.17 0.00 0.00 0.00 0.00 36.38 32.48 3dex s VAL 56 CO 0.00 0.10 0.47 0.12 0.00 0.00 0.00 175.10 175.79 3dex s PHE 57 N 1.28 -0.98 0.05 5.22 5.36 -1.21 0.93 117.98 128.63 3dex s PHE 57 Ca 0.56 -0.12 0.05 0.00 -0.96 0.00 0.00 56.93 56.46 3dex s PHE 57 Cb -0.26 -0.09 -0.03 0.00 -0.34 0.00 0.00 43.02 42.30 3dex s PHE 57 CO 0.27 -1.04 -0.15 0.54 -1.46 0.00 0.00 175.22 173.38 3dex s VAL 58 N 1.90 1.17 -0.13 3.12 0.11 -0.23 -1.51 120.40 124.83 3dex s VAL 58 Ca 0.14 -1.14 -0.02 0.00 -2.93 0.00 0.00 61.98 58.03 3dex s VAL 58 Cb -0.11 -1.08 -0.02 0.00 -1.53 0.00 0.00 36.38 33.64 3dex s VAL 58 CO -0.12 -0.07 -0.08 -0.69 -3.33 0.00 0.00 175.10 170.81 3dex s VAL 59 N -1.01 3.54 -0.02 2.04 1.01 0.94 -1.27 120.40 125.63 3dex s VAL 59 Ca 0.01 -0.49 0.08 0.00 0.00 0.00 0.00 61.98 61.57 3dex s VAL 59 Cb -0.09 -2.51 -0.02 0.00 0.00 0.00 0.00 36.38 33.76 3dex s VAL 59 CO 0.02 0.52 -0.25 -0.13 0.00 0.00 0.00 175.10 175.26 3dex s ARG 60 N 0.14 2.04 -0.18 2.72 0.52 0.44 -0.39 118.95 124.25 3dex s ARG 60 Ca -0.04 -0.91 0.01 0.00 -0.52 0.00 0.00 55.73 54.27 3dex s ARG 60 Cb -0.14 -1.98 0.04 0.00 0.52 0.00 0.00 34.95 33.39 3dex s ARG 60 CO 0.04 0.54 -0.10 0.08 0.02 0.00 0.00 175.30 175.88 3dex s VAL 61 N -0.60 1.53 -1.25 3.52 1.01 0.73 -0.84 120.40 124.50 3dex s VAL 61 Ca 0.10 -0.88 -0.00 0.00 0.00 0.00 0.00 61.98 61.20 3dex s VAL 61 Cb -0.10 -1.60 0.00 0.00 0.00 0.00 0.00 36.38 34.68 3dex s VAL 61 CO -0.01 0.21 0.87 0.47 0.00 0.00 0.00 175.10 176.64 3dex n ASP 62 N 4.73 -1.73 0.00 3.32 10.43 -0.50 -1.68 116.55 131.13 3dex n ASP 62 Ca -0.15 -0.71 0.00 0.00 2.57 0.00 0.00 54.79 56.50 3dex n ASP 62 Cb 0.47 -4.63 0.00 0.00 1.84 0.00 0.00 41.12 38.80 3dex n ASP 62 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 3dex n ASP 63 N -3.09 0.00 -4.66 -2.24 8.00 -1.26 -4.96 116.55 108.33 3dex n ASP 63 Ca -0.29 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 54.83 3dex n ASP 63 Cb 0.67 -0.71 -0.08 0.00 -0.02 0.00 0.00 41.12 40.98 3dex n ASP 63 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3dex s GLU 64 N -0.01 4.15 0.02 -1.24 2.02 -0.67 -5.03 118.70 117.93 3dex s GLU 64 Ca 0.00 0.12 -0.30 0.00 0.02 0.00 0.00 54.97 54.80 3dex s GLU 64 Cb 0.00 -3.55 -0.06 0.00 0.10 0.00 0.00 34.13 30.62 3dex s GLU 64 CO 0.00 -0.04 1.51 0.54 0.02 0.00 0.00 175.26 177.28 3dex s VAL 65 N 1.32 3.45 -0.03 2.63 0.11 -1.26 -0.20 120.40 126.43 3dex s VAL 65 Ca 0.17 0.85 0.11 0.00 -2.93 0.00 0.00 61.98 60.18 3dex s VAL 65 Cb -0.15 -3.55 -0.16 0.00 -1.53 0.00 0.00 36.38 30.99 3dex s VAL 65 CO 0.07 -0.01 0.20 0.52 -3.33 0.00 0.00 175.10 172.56 3dex n VAL 66 N 4.73 0.14 -3.71 2.04 0.31 0.48 -4.92 118.33 117.41 3dex n VAL 66 Ca 0.14 -0.29 -0.11 0.00 -0.01 0.00 0.00 64.34 64.07 3dex n VAL 66 Cb 0.42 0.05 -0.12 0.00 -0.91 0.00 0.00 33.84 33.28 3dex n VAL 66 CO 0.00 0.00 0.00 0.86 -1.32 0.00 0.00 176.83 176.37 3dex s TRP 67 N -2.66 -0.49 -0.10 3.52 -0.11 -0.95 -4.97 118.94 113.18 3dex s TRP 67 Ca -0.04 1.09 0.00 0.00 1.22 0.00 0.00 56.10 58.37 3dex s TRP 67 Cb 0.06 0.18 0.02 0.00 -1.50 0.00 0.00 33.47 32.23 3dex s TRP 67 CO 0.45 -0.30 -0.09 0.34 -4.62 0.00 0.00 176.95 172.73 3dex s ASP 68 N 1.35 2.07 0.11 5.86 -1.08 -1.26 -0.04 116.67 123.68 3dex s ASP 68 Ca -0.09 -0.31 -0.32 0.00 -0.52 0.00 0.00 52.55 51.31 3dex s ASP 68 Cb -0.09 -0.85 -0.11 0.00 -1.46 0.00 0.00 42.92 40.41 3dex s ASP 68 CO -0.11 -0.07 1.57 -0.09 0.52 0.00 0.00 175.17 176.99 3dex h ARG 69 N 7.80 -0.62 -2.01 4.34 2.43 -1.46 0.24 114.38 125.11 3dex h ARG 69 Ca -0.31 0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 58.90 3dex h ARG 69 Cb 1.15 0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 30.84 3dex h ARG 69 CO 0.43 -0.42 -0.01 2.89 -1.51 0.00 0.00 179.97 181.36 3dex n ARG 70 N -5.46 0.83 0.00 0.20 -4.01 -1.26 0.70 116.66 107.65 3dex n ARG 70 Ca -0.07 -0.03 0.00 0.00 -1.04 0.00 0.00 57.85 56.71 3dex n ARG 70 Cb 0.39 -1.13 0.00 0.00 -3.04 0.00 0.00 32.46 28.68 3dex n ARG 70 CO 0.00 0.00 0.00 -1.91 -3.04 0.00 0.00 177.63 172.68 3dex n GLU 71 N 1.64 0.00 0.00 2.89 4.07 -0.91 -4.93 120.64 123.40 3dex n GLU 71 Ca 0.01 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.11 3dex n GLU 71 Cb 0.41 -0.17 0.00 0.00 -0.06 0.00 0.00 31.44 31.62 3dex n GLU 71 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 3dex n GLN 72 N -1.10 1.11 0.00 5.31 6.02 0.03 -5.03 117.38 123.72 3dex n GLN 72 Ca 0.00 -0.85 0.00 0.00 -0.01 0.00 0.00 57.00 56.14 3dex n GLN 72 Cb 0.00 -0.72 0.00 0.00 1.02 0.00 0.00 30.24 30.54 3dex n GLN 72 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3dex n GLY 73 N -0.19 -0.57 3.65 1.08 0.00 0.22 -4.83 105.19 104.55 3dex n GLY 73 Ca 0.00 -1.10 -0.45 0.00 0.00 0.00 0.00 46.02 44.47 3dex n GLY 73 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3dex n PHE 74 N -0.29 1.96 -1.85 1.61 7.35 -1.26 -4.33 117.46 120.65 3dex n PHE 74 Ca 0.00 0.51 -0.37 0.00 -0.76 0.00 0.00 57.45 56.83 3dex n PHE 74 Cb 0.00 -2.41 -0.04 0.00 0.35 0.00 0.00 39.48 37.38 3dex n PHE 74 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 3dex n PRO 75 N 1.76 1.96 -1.67 -7.13 -0.04 -1.26 -4.93 135.00 123.68 3dex n PRO 75 Ca 0.11 -2.44 -0.44 0.00 -0.04 0.00 0.00 63.50 60.70 3dex n PRO 75 Cb 0.31 -3.41 -0.03 0.00 -0.04 0.00 0.00 33.50 30.32 3dex n PRO 75 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3dex n GLU 76 N 7.72 2.66 -0.35 0.54 0.00 -1.26 -4.84 120.64 125.12 3dex n GLU 76 Ca 0.48 0.97 -0.05 0.00 0.00 0.00 0.00 57.16 58.56 3dex n GLU 76 Cb 0.44 -2.88 -0.03 0.00 0.00 0.00 0.00 31.44 28.98 3dex n GLU 76 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.13 176.78 3dex n PRO 77 N 6.54 -0.29 0.28 5.31 -0.04 -1.26 -1.75 135.00 143.78 3dex n PRO 77 Ca 0.20 1.31 -0.16 0.00 -0.04 0.00 0.00 63.50 64.80 3dex n PRO 77 Cb 0.37 -1.93 -0.08 0.00 -0.04 0.00 0.00 33.50 31.81 3dex n PRO 77 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3dex h THR 78 N 0.00 0.29 -0.32 0.52 2.02 -1.98 0.80 112.91 114.23 3dex h THR 78 Ca 0.22 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.47 3dex h THR 78 Cb 0.43 0.29 -0.08 0.00 -1.74 0.00 0.00 68.15 67.04 3dex h THR 78 CO -0.83 0.00 -0.30 0.00 0.37 0.00 0.00 175.52 174.76 3dex h ALA 79 N -0.39 -0.18 -0.06 6.16 0.00 -1.81 -0.87 119.26 122.11 3dex h ALA 79 Ca -0.05 0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 3dex h ALA 79 Cb 0.68 0.64 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 3dex h ALA 79 CO 0.01 -0.72 -0.39 -0.24 0.00 0.00 0.00 179.25 177.92 3dex h VAL 80 N -0.27 1.29 -0.06 0.00 3.04 -1.29 -2.70 116.25 116.26 3dex h VAL 80 Ca 0.16 -1.40 -0.11 0.00 -1.01 0.00 0.00 66.70 64.33 3dex h VAL 80 Cb 0.52 1.68 -0.01 0.00 -2.01 0.00 0.00 31.29 31.47 3dex h VAL 80 CO -0.48 0.41 -0.48 0.11 -1.01 0.00 0.00 177.57 176.12 3dex h LYS 81 N 0.10 0.16 -0.29 4.17 1.57 0.05 -1.63 116.57 120.69 3dex h LYS 81 Ca 0.01 -0.09 -0.15 0.00 -1.87 0.00 0.00 60.65 58.55 3dex h LYS 81 Cb 0.73 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.04 3dex h LYS 81 CO 0.05 0.61 -0.41 -0.09 -0.57 0.00 0.00 179.45 179.04 3dex h ARG 82 N 0.13 0.80 -0.10 3.15 2.43 -0.94 -0.44 114.38 119.42 3dex h ARG 82 Ca 0.01 -0.46 -0.10 0.00 -0.81 0.00 0.00 59.98 58.61 3dex h ARG 82 Cb 0.90 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.47 3dex h ARG 82 CO 0.07 1.10 -0.40 -0.07 -1.51 0.00 0.00 179.97 179.16 3dex h LEU 83 N 0.56 0.22 -0.29 3.80 4.07 -1.37 -1.14 115.31 121.16 3dex h LEU 83 Ca 0.03 -0.09 -0.20 0.00 0.08 0.00 0.00 57.88 57.70 3dex h LEU 83 Cb 1.00 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.68 3dex h LEU 83 CO 0.10 0.60 -0.80 0.58 -1.08 0.00 0.00 178.44 177.83 3dex h VAL 84 N 0.18 1.36 -0.38 1.22 2.07 -1.14 -3.18 116.25 116.38 3dex h VAL 84 Ca 0.02 -2.19 -0.08 0.00 0.82 0.00 0.00 66.70 65.26 3dex h VAL 84 Cb 0.78 2.17 -0.01 0.00 -1.52 0.00 0.00 31.29 32.71 3dex h VAL 84 CO 0.06 0.66 -0.09 -0.09 0.02 0.00 0.00 177.57 178.13 3dex h ARG 85 N 0.32 0.73 -0.98 1.57 2.43 -0.80 -2.80 114.38 114.86 3dex h ARG 85 Ca -0.05 -0.28 0.24 0.00 -0.81 0.00 0.00 59.98 59.08 3dex h ARG 85 Cb 1.41 -0.04 -0.12 0.00 -0.42 0.00 0.00 29.97 30.79 3dex h ARG 85 CO 0.14 0.88 0.55 -0.44 -1.51 0.00 0.00 179.97 179.59 3dex h ASP 86 N 0.54 0.61 1.02 -3.80 3.45 -1.21 0.31 116.42 117.33 3dex h ASP 86 Ca 0.10 0.14 -0.11 0.00 0.43 0.00 0.00 57.03 57.59 3dex h ASP 86 Cb 0.61 0.05 -0.02 0.00 -0.56 0.00 0.00 39.33 39.41 3dex h ASP 86 CO 0.04 0.09 -0.51 0.03 -1.57 0.00 0.00 179.24 177.31 3dex h ARG 87 N 0.55 0.00 0.00 3.56 2.47 -1.50 -3.45 114.38 116.00 3dex h ARG 87 Ca 0.62 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.34 3dex h ARG 87 Cb 1.18 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.50 3dex h ARG 87 CO -0.48 0.51 0.00 0.28 0.56 0.00 0.00 179.97 180.84 3dex n VAL 88 N -3.45 0.00 -1.56 2.04 0.31 0.10 -4.99 118.33 110.78 3dex n VAL 88 Ca 0.00 0.00 -0.56 0.00 -0.01 0.00 0.00 64.34 63.78 3dex n VAL 88 Cb 0.64 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 33.49 3dex n VAL 88 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3dex n ALA 89 N -3.00 0.28 0.26 3.52 0.00 -0.72 -4.88 120.51 115.98 3dex n ALA 89 Ca 0.00 0.21 -0.11 0.00 0.00 0.00 0.00 53.44 53.55 3dex n ALA 89 Cb 0.00 -2.31 -0.05 0.00 0.00 0.00 0.00 19.45 17.09 3dex n ALA 89 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3dex h PRO 90 N 9.18 -0.67 0.00 0.00 0.13 -1.88 -3.38 132.00 135.38 3dex h PRO 90 Ca -0.35 0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 3dex h PRO 90 Cb 1.33 0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.62 3dex h PRO 90 CO 1.00 -0.44 -1.00 -0.85 -0.23 0.00 0.00 178.00 176.48 3dex n GLU 91 N -4.37 0.55 0.00 0.86 0.28 -1.26 -4.93 120.64 111.77 3dex n GLU 91 Ca -0.09 0.10 0.00 0.00 -0.16 0.00 0.00 57.16 57.01 3dex n GLU 91 Cb 0.27 -1.79 0.00 0.00 1.43 0.00 0.00 31.44 31.36 3dex n GLU 91 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60