#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dex n THR 12 N 0.00 0.00 -3.97 1.59 5.66 -1.23 -4.77 114.28 111.56 3dex n THR 12 Ca 0.00 0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 60.66 3dex n THR 12 Cb 0.00 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 68.72 3dex n THR 12 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 3dex s HIS 13 N -0.08 3.48 -0.08 1.09 0.09 -1.17 -4.83 115.29 113.78 3dex s HIS 13 Ca 0.00 0.36 0.04 0.00 -0.00 0.00 0.00 55.06 55.46 3dex s HIS 13 Cb 0.00 -1.84 -0.01 0.00 -0.00 0.00 0.00 32.58 30.73 3dex s HIS 13 CO 0.00 0.64 -0.19 0.50 -0.00 0.00 0.00 174.74 175.69 3dex s ARG 14 N -1.57 2.79 0.02 1.40 3.52 -1.26 -0.70 118.95 123.14 3dex s ARG 14 Ca 0.22 -0.80 0.06 0.00 -0.13 0.00 0.00 55.73 55.08 3dex s ARG 14 Cb -0.12 -2.35 -0.03 0.00 -1.56 0.00 0.00 34.95 30.89 3dex s ARG 14 CO 0.13 0.38 -0.15 0.08 -0.81 0.00 0.00 175.30 174.93 3dex s VAL 15 N -0.14 2.99 -0.00 7.11 1.01 -0.94 -0.96 120.40 129.47 3dex s VAL 15 Ca -0.03 -1.05 0.02 0.00 0.00 0.00 0.00 61.98 60.92 3dex s VAL 15 Cb -0.14 -2.26 -0.00 0.00 0.00 0.00 0.00 36.38 33.98 3dex s VAL 15 CO 0.04 0.38 -0.05 -1.58 0.00 0.00 0.00 175.10 173.88 3dex s GLN 16 N -1.35 0.44 -0.18 2.72 0.74 -0.21 -0.61 119.66 121.20 3dex s GLN 16 Ca 0.15 -0.21 0.01 0.00 0.05 0.00 0.00 55.36 55.36 3dex s GLN 16 Cb -0.11 -0.42 0.04 0.00 1.10 0.00 0.00 33.01 33.62 3dex s GLN 16 CO 0.05 0.12 -0.12 0.42 -0.55 0.00 0.00 175.29 175.21 3dex s ILE 17 N -0.16 1.62 -0.31 -2.34 1.01 0.77 -0.56 121.20 121.24 3dex s ILE 17 Ca 0.02 -0.89 -0.09 0.00 0.00 0.00 0.00 60.65 59.69 3dex s ILE 17 Cb -0.02 -1.64 -0.01 0.00 0.01 0.00 0.00 42.46 40.80 3dex s ILE 17 CO -0.00 0.26 0.14 -0.70 0.00 0.00 0.00 174.94 174.65 3dex s GLU 18 N 1.42 3.33 0.00 2.79 2.12 -0.02 -1.00 118.70 127.34 3dex s GLU 18 Ca 0.01 -0.72 0.05 0.00 0.36 0.00 0.00 54.97 54.67 3dex s GLU 18 Cb -0.15 -3.54 -0.03 0.00 0.26 0.00 0.00 34.13 30.67 3dex s GLU 18 CO -0.09 -0.41 -0.15 1.52 -0.54 0.00 0.00 175.26 175.59 3dex s TYR 19 N 1.60 2.66 -0.17 5.30 1.13 -1.06 -0.89 117.35 125.93 3dex s TYR 19 Ca 0.04 -0.19 -0.29 0.00 -1.41 0.00 0.00 57.07 55.22 3dex s TYR 19 Cb -0.17 -1.54 -0.04 0.00 -1.10 0.00 0.00 41.96 39.11 3dex s TYR 19 CO 0.06 0.25 1.69 0.00 -2.51 0.00 0.00 175.55 175.03 3dex h THR 21 N 6.05 1.27 -0.28 0.00 1.03 -1.61 -3.00 112.91 116.38 3dex h THR 21 Ca -0.36 -1.09 -0.03 0.00 -0.01 0.00 0.00 66.41 64.91 3dex h THR 21 Cb 1.17 1.21 -0.02 0.00 -1.07 0.00 0.00 68.15 69.44 3dex h THR 21 CO 0.98 0.37 0.03 1.56 -0.01 0.00 0.00 175.52 178.45 3dex h GLN 22 N 0.52 0.40 0.00 0.00 1.08 -1.80 -1.74 115.11 113.58 3dex h GLN 22 Ca 0.10 -0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 3dex h GLN 22 Cb 0.54 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.91 3dex h GLN 22 CO 0.03 0.41 0.00 0.00 -0.95 0.00 0.00 178.83 178.32 3dex n ARG 24 N -0.69 -5.66 -0.64 0.00 5.12 -0.65 -4.89 116.66 109.25 3dex n ARG 24 Ca 0.08 0.67 0.09 0.00 -1.93 0.00 0.00 57.85 56.76 3dex n ARG 24 Cb 0.03 -5.43 0.37 0.00 -1.16 0.00 0.00 32.46 26.27 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 -4.46 1.53 0.08 -1.55 8.01 -1.14 -4.47 117.44 115.45 3dex n TRP 25 Ca -0.17 -0.62 -0.13 0.00 -1.31 0.00 0.00 57.50 55.28 3dex n TRP 25 Cb 0.62 -0.26 -0.08 0.00 -2.01 0.00 0.00 31.31 29.59 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 4.13 -0.12 -0.86 -0.99 5.85 -1.88 -1.93 115.31 119.51 3dex h LEU 26 Ca 0.00 -0.05 0.13 0.00 0.84 0.00 0.00 57.88 58.80 3dex h LEU 26 Cb 1.49 0.03 -0.09 0.00 0.37 0.00 0.00 40.66 42.46 3dex h LEU 26 CO 0.25 -0.03 0.47 1.55 -0.34 0.00 0.00 178.44 180.34 3dex h PRO 27 N -0.20 0.69 0.00 5.25 0.13 -2.00 0.15 132.00 136.02 3dex h PRO 27 Ca -0.01 -0.04 -0.10 0.00 -0.87 0.00 0.00 66.00 64.98 3dex h PRO 27 Cb 0.16 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 3dex h PRO 27 CO 0.02 0.46 -0.45 0.07 -0.23 0.00 0.00 178.00 177.87 3dex h ARG 28 N 0.71 0.00 -0.16 0.86 0.11 -1.84 -1.18 114.38 112.88 3dex h ARG 28 Ca 0.45 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 60.46 3dex h ARG 28 Cb 0.55 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.63 3dex h ARG 28 CO -0.32 0.45 -0.17 0.00 0.10 0.00 0.00 179.97 180.04 3dex h ALA 29 N 1.55 0.24 -0.94 0.08 0.00 -0.45 -2.08 119.26 117.65 3dex h ALA 29 Ca -0.00 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 3dex h ALA 29 Cb 1.06 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.75 3dex h ALA 29 CO 0.06 0.15 0.58 0.00 0.00 0.00 0.00 179.25 180.03 3dex h ALA 30 N 0.62 1.24 0.10 0.00 0.00 -0.54 -1.06 119.26 119.62 3dex h ALA 30 Ca 0.02 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3dex h ALA 30 Cb 0.71 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3dex h ALA 30 CO 0.04 0.66 -0.05 2.35 0.00 0.00 0.00 179.25 182.25 3dex h TRP 31 N 1.30 -0.13 -0.96 0.00 7.01 -1.12 -2.05 115.95 120.00 3dex h TRP 31 Ca 0.34 -0.00 0.06 0.00 2.11 0.00 0.00 58.89 61.40 3dex h TRP 31 Cb -0.07 0.04 -0.06 0.00 -2.10 0.00 0.00 29.16 26.97 3dex h TRP 31 CO 0.00 0.00 0.63 1.25 -2.79 0.00 0.00 178.44 177.53 3dex h LEU 32 N -0.23 1.00 -0.75 0.65 6.46 -1.09 -0.47 115.31 120.88 3dex h LEU 32 Ca -0.01 0.00 0.03 0.00 -0.12 0.00 0.00 57.88 57.78 3dex h LEU 32 Cb 0.19 -0.21 -0.04 0.00 -0.73 0.00 0.00 40.66 39.86 3dex h LEU 32 CO 0.02 0.65 0.48 0.00 -0.62 0.00 0.00 178.44 178.97 3dex h ALA 33 N 1.47 0.98 -0.44 1.25 0.00 -0.90 0.16 119.26 121.79 3dex h ALA 33 Ca 0.41 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.19 3dex h ALA 33 Cb 0.15 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3dex h ALA 33 CO -0.15 0.30 -0.11 0.37 0.00 0.00 0.00 179.25 179.66 3dex h GLN 34 N 0.95 0.84 0.08 0.00 4.15 -0.58 0.11 115.11 120.67 3dex h GLN 34 Ca 0.30 -0.32 -0.00 0.00 0.77 0.00 0.00 58.65 59.39 3dex h GLN 34 Cb -0.02 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.63 3dex h GLN 34 CO -0.10 0.96 -0.04 0.93 -1.93 0.00 0.00 178.83 178.65 3dex h GLU 35 N 0.67 -0.11 -0.56 1.69 4.39 -0.40 -1.06 114.58 119.21 3dex h GLU 35 Ca 0.11 0.01 -0.11 0.00 0.34 0.00 0.00 59.36 59.71 3dex h GLU 35 Cb 0.64 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.30 3dex h GLU 35 CO 0.04 -0.06 -0.09 -0.07 -1.16 0.00 0.00 179.01 177.68 3dex h LEU 36 N -0.13 1.04 -1.18 1.33 3.38 -0.62 -2.38 115.31 116.75 3dex h LEU 36 Ca -0.01 -0.34 -0.08 0.00 0.09 0.00 0.00 57.88 57.54 3dex h LEU 36 Cb 0.10 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 3dex h LEU 36 CO 0.02 1.14 -0.38 -0.07 0.09 0.00 0.00 178.44 179.24 3dex h LEU 37 N 0.93 0.00 0.04 1.67 3.38 -0.68 0.14 115.31 120.79 3dex h LEU 37 Ca 0.15 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.88 3dex h LEU 37 Cb 0.65 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 3dex h LEU 37 CO 0.05 0.38 -1.09 0.00 0.09 0.00 0.00 178.44 177.86 3dex h THR 38 N 0.00 1.63 0.07 0.22 1.03 -1.08 -1.76 112.91 113.03 3dex h THR 38 Ca -0.00 -3.28 -0.28 0.00 -0.01 0.00 0.00 66.41 62.84 3dex h THR 38 Cb 0.74 2.88 -0.02 0.00 -1.07 0.00 0.00 68.15 70.69 3dex h THR 38 CO 0.05 0.94 -1.41 0.74 -0.01 0.00 0.00 175.52 175.83 3dex h THR 39 N 0.03 1.26 -0.06 0.00 2.02 -1.18 -3.38 112.91 111.60 3dex h THR 39 Ca -0.06 -2.95 -0.04 0.00 0.77 0.00 0.00 66.41 64.13 3dex h THR 39 Cb 1.84 2.74 -0.03 0.00 -1.74 0.00 0.00 68.15 70.96 3dex h THR 39 CO 0.16 0.81 -0.50 0.49 0.37 0.00 0.00 175.52 176.85 3dex n PHE 40 N -3.37 0.22 -0.05 3.16 3.01 0.46 -4.79 117.46 116.09 3dex n PHE 40 Ca -0.12 -1.55 0.08 0.00 1.01 0.00 0.00 57.45 56.87 3dex n PHE 40 Cb 1.02 -0.27 0.46 0.00 -0.01 0.00 0.00 39.48 40.68 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 1.07 0.48 0.00 -1.08 4.11 -1.49 -0.29 114.58 117.39 3dex h GLU 41 Ca 0.03 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3dex h GLU 41 Cb 1.06 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.20 3dex h GLU 41 CO 0.07 0.32 -0.13 -2.37 0.07 0.00 0.00 179.01 176.97 3dex n THR 42 N -4.47 0.56 0.44 -1.06 5.66 -1.26 -3.84 114.28 110.30 3dex n THR 42 Ca 0.07 -0.29 0.05 0.00 -3.05 0.00 0.00 64.05 60.84 3dex n THR 42 Cb 0.23 -0.49 -0.07 0.00 -1.55 0.00 0.00 70.33 68.45 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 -2.24 2.78 -3.95 1.09 4.71 -0.61 -3.67 120.64 118.75 3dex n GLU 43 Ca 0.05 -0.02 -0.35 0.00 -0.01 0.00 0.00 57.16 56.83 3dex n GLU 43 Cb 0.43 -1.07 -0.09 0.00 -1.01 0.00 0.00 31.44 29.71 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 -2.75 3.99 0.13 -4.62 1.43 -0.22 -3.07 118.68 113.58 3dex s LEU 44 Ca 0.03 0.19 0.04 0.00 -1.03 0.00 0.00 54.13 53.37 3dex s LEU 44 Cb 0.08 -2.00 -0.14 0.00 0.03 0.00 0.00 46.19 44.16 3dex s LEU 44 CO 0.46 0.24 1.30 0.00 0.23 0.00 0.00 176.35 178.58 3dex h THR 45 N 4.59 1.62 -1.20 5.49 1.03 -1.21 -3.44 112.91 119.79 3dex h THR 45 Ca -0.42 -3.12 0.29 0.00 -0.01 0.00 0.00 66.41 63.15 3dex h THR 45 Cb 1.18 2.74 -0.21 0.00 -1.07 0.00 0.00 68.15 70.79 3dex h THR 45 CO 0.68 0.90 0.92 -1.83 -0.01 0.00 0.00 175.52 176.17 3dex s GLU 46 N -2.86 0.13 -0.09 0.00 -1.05 -1.25 -4.99 118.70 108.59 3dex s GLU 46 Ca -0.01 -0.04 0.02 0.00 -0.15 0.00 0.00 54.97 54.79 3dex s GLU 46 Cb 0.10 0.06 0.02 0.00 -0.44 0.00 0.00 34.13 33.86 3dex s GLU 46 CO 0.83 -0.06 -0.12 -1.17 0.95 0.00 0.00 175.26 175.69 3dex s LEU 47 N -1.96 1.58 0.04 1.83 0.20 -1.26 -2.21 118.68 116.90 3dex s LEU 47 Ca 0.10 -0.35 0.05 0.00 0.69 0.00 0.00 54.13 54.63 3dex s LEU 47 Cb -0.01 -0.92 -0.03 0.00 -0.43 0.00 0.00 46.19 44.79 3dex s LEU 47 CO -0.04 -0.00 -0.10 0.00 -0.29 0.00 0.00 176.35 175.92 3dex s ALA 48 N 0.99 2.89 -0.22 5.97 0.00 0.22 -4.99 121.76 126.62 3dex s ALA 48 Ca -0.08 -1.12 -0.05 0.00 0.00 0.00 0.00 51.96 50.70 3dex s ALA 48 Cb -0.15 -0.97 -0.02 0.00 0.00 0.00 0.00 23.12 21.99 3dex s ALA 48 CO -0.01 0.61 0.01 -0.51 0.00 0.00 0.00 175.76 175.87 3dex s LEU 49 N -1.64 3.20 -0.24 0.00 1.43 -1.26 -0.16 118.68 120.00 3dex s LEU 49 Ca 0.18 -0.27 -0.02 0.00 -1.03 0.00 0.00 54.13 52.99 3dex s LEU 49 Cb -0.11 -1.83 0.02 0.00 0.03 0.00 0.00 46.19 44.30 3dex s LEU 49 CO 0.09 0.00 -0.07 -0.75 0.23 0.00 0.00 176.35 175.85 3dex s LYS 50 N 1.36 2.90 0.28 1.70 2.20 -0.17 -4.96 119.74 123.05 3dex s LYS 50 Ca 0.05 -0.93 -0.30 0.00 -0.36 0.00 0.00 55.97 54.42 3dex s LYS 50 Cb -0.15 -2.96 -0.12 0.00 -1.51 0.00 0.00 37.83 33.10 3dex s LYS 50 CO 0.01 -0.37 1.58 -2.30 -0.36 0.00 0.00 175.35 173.91 3dex n PRO 51 N 4.68 2.62 -4.47 4.03 -0.02 -1.26 -2.55 135.00 138.02 3dex n PRO 51 Ca -0.17 0.93 -0.30 0.00 -2.02 0.00 0.00 63.50 61.94 3dex n PRO 51 Cb 0.48 -2.70 -0.06 0.00 -0.02 0.00 0.00 33.50 31.20 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 0.48 2.76 0.00 -1.23 0.00 0.17 -4.84 107.32 104.67 3dex s GLY 52 Ca 0.65 -0.88 0.00 0.00 0.00 0.00 0.00 44.72 44.49 3dex s GLY 52 CO 0.48 -2.10 0.00 2.41 0.00 0.00 0.00 173.10 173.89 3dex n THR 53 N -1.38 0.00 -4.92 0.90 -1.04 -1.26 -2.47 114.28 104.12 3dex n THR 53 Ca -0.12 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.58 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 1.25 0.00 3.41 0.00 -1.26 -3.99 107.32 106.73 3dex s GLY 54 Ca 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 44.72 43.81 3dex s GLY 54 CO 0.00 -0.14 0.00 0.61 0.00 0.00 0.00 173.10 173.57 3dex n GLY 55 N 3.77 0.22 3.72 0.20 0.00 -1.26 -4.95 105.19 106.90 3dex n GLY 55 Ca -0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.63 4.23 -0.37 1.61 1.01 -1.26 -4.81 120.40 119.17 3dex s VAL 56 Ca 0.00 1.68 0.06 0.00 0.00 0.00 0.00 61.98 63.71 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 0.17 0.52 0.12 0.00 0.00 0.00 175.10 175.91 3dex s PHE 57 N 0.69 -1.22 0.07 5.22 5.36 -1.20 0.87 117.98 127.77 3dex s PHE 57 Ca 0.54 0.03 0.06 0.00 -0.96 0.00 0.00 56.93 56.60 3dex s PHE 57 Cb -0.27 0.04 -0.03 0.00 -0.34 0.00 0.00 43.02 42.42 3dex s PHE 57 CO 0.30 -1.08 -0.17 0.54 -1.46 0.00 0.00 175.22 173.35 3dex s VAL 58 N 1.92 1.38 -0.15 3.12 0.11 -0.07 -1.59 120.40 125.12 3dex s VAL 58 Ca 0.15 -1.32 -0.01 0.00 -2.93 0.00 0.00 61.98 57.86 3dex s VAL 58 Cb -0.09 -1.27 -0.02 0.00 -1.53 0.00 0.00 36.38 33.47 3dex s VAL 58 CO -0.11 -0.08 -0.10 -0.69 -3.33 0.00 0.00 175.10 170.79 3dex s VAL 59 N -1.11 3.32 -0.03 2.04 1.01 0.89 -0.84 120.40 125.67 3dex s VAL 59 Ca 0.03 -0.56 0.07 0.00 0.00 0.00 0.00 61.98 61.51 3dex s VAL 59 Cb -0.09 -2.42 -0.02 0.00 0.00 0.00 0.00 36.38 33.84 3dex s VAL 59 CO 0.03 0.51 -0.24 -0.13 0.00 0.00 0.00 175.10 175.27 3dex s ARG 60 N 0.46 2.23 -0.19 2.72 0.52 0.28 -0.60 118.95 124.36 3dex s ARG 60 Ca -0.07 -0.89 0.01 0.00 -0.52 0.00 0.00 55.73 54.26 3dex s ARG 60 Cb -0.15 -2.11 0.04 0.00 0.52 0.00 0.00 34.95 33.24 3dex s ARG 60 CO 0.04 0.55 -0.12 0.08 0.02 0.00 0.00 175.30 175.87 3dex s VAL 61 N -0.58 1.71 -1.27 3.52 1.01 0.84 -1.05 120.40 124.59 3dex s VAL 61 Ca 0.09 -0.97 -0.00 0.00 0.00 0.00 0.00 61.98 61.09 3dex s VAL 61 Cb -0.11 -1.73 -0.00 0.00 0.00 0.00 0.00 36.38 34.55 3dex s VAL 61 CO -0.00 0.25 0.81 0.47 0.00 0.00 0.00 175.10 176.63 3dex n ASP 62 N 4.68 -1.50 0.00 3.32 10.43 -0.13 -1.55 116.55 131.79 3dex n ASP 62 Ca -0.16 -0.75 0.00 0.00 2.57 0.00 0.00 54.79 56.45 3dex n ASP 62 Cb 0.47 -4.45 0.00 0.00 1.84 0.00 0.00 41.12 38.98 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 -3.08 0.00 -4.66 -2.24 8.00 -1.26 -4.96 116.55 108.34 3dex n ASP 63 Ca -0.30 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 54.83 3dex n ASP 63 Cb 0.68 -0.74 -0.08 0.00 -0.02 0.00 0.00 41.12 40.96 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 -0.05 4.12 -0.02 -1.24 2.02 -0.60 -5.04 118.70 117.90 3dex s GLU 64 Ca 0.00 0.03 -0.30 0.00 0.02 0.00 0.00 54.97 54.72 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 1.57 0.54 0.02 0.00 0.00 175.26 177.36 3dex s VAL 65 N 1.32 3.51 -0.04 2.63 0.11 -1.26 -0.11 120.40 126.56 3dex s VAL 65 Ca 0.15 0.78 0.13 0.00 -2.93 0.00 0.00 61.98 60.11 3dex s VAL 65 Cb -0.14 -3.51 -0.19 0.00 -1.53 0.00 0.00 36.38 31.01 3dex s VAL 65 CO 0.07 -0.04 0.23 0.52 -3.33 0.00 0.00 175.10 172.55 3dex n VAL 66 N 5.10 0.20 -3.70 2.04 0.31 0.23 -4.92 118.33 117.59 3dex n VAL 66 Ca 0.16 -0.36 -0.11 0.00 -0.01 0.00 0.00 64.34 64.02 3dex n VAL 66 Cb 0.42 -0.01 -0.12 0.00 -0.91 0.00 0.00 33.84 33.23 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 -2.77 -0.52 -0.10 3.52 -0.11 -0.94 -4.97 118.94 113.05 3dex s TRP 67 Ca -0.05 1.12 0.01 0.00 1.22 0.00 0.00 56.10 58.40 3dex s TRP 67 Cb 0.07 0.18 0.02 0.00 -1.50 0.00 0.00 33.47 32.24 3dex s TRP 67 CO 0.54 -0.32 -0.11 0.34 -4.62 0.00 0.00 176.95 172.78 3dex s ASP 68 N 1.50 2.15 0.12 5.86 -1.08 -1.26 -0.08 116.67 123.87 3dex s ASP 68 Ca -0.08 -0.34 -0.32 0.00 -0.52 0.00 0.00 52.55 51.29 3dex s ASP 68 Cb -0.09 -0.91 -0.11 0.00 -1.46 0.00 0.00 42.92 40.35 3dex s ASP 68 CO -0.11 -0.05 1.57 -0.09 0.52 0.00 0.00 175.17 177.01 3dex h ARG 69 N 7.70 -0.62 -1.89 4.34 2.43 -1.49 0.00 114.38 124.86 3dex h ARG 69 Ca -0.31 0.04 0.00 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 30.85 3dex h ARG 69 CO 0.45 -0.41 0.00 2.89 -1.51 0.00 0.00 179.97 181.39 3dex n ARG 70 N -5.46 0.79 0.00 0.20 -4.01 -1.26 0.56 116.66 107.47 3dex n ARG 70 Ca -0.07 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.74 3dex n ARG 70 Cb 0.39 -1.11 0.00 0.00 -3.04 0.00 0.00 32.46 28.70 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 1.47 0.00 0.00 2.89 4.07 -0.90 -4.92 120.64 123.24 3dex n GLU 71 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 3dex n GLU 71 Cb 0.39 -0.22 0.00 0.00 -0.06 0.00 0.00 31.44 31.56 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 -1.00 0.49 0.00 5.31 6.02 -0.06 -5.03 117.38 123.12 3dex n GLN 72 Ca 0.00 -0.60 0.00 0.00 -0.01 0.00 0.00 57.00 56.39 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 -0.12 -1.01 3.67 1.08 0.00 0.19 -4.85 105.19 104.15 3dex n GLY 73 Ca 0.00 -1.20 -0.44 0.00 0.00 0.00 0.00 46.02 44.38 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 -0.15 2.09 -1.97 1.61 7.35 -1.26 -4.33 117.46 120.80 3dex n PHE 74 Ca 0.00 0.50 -0.37 0.00 -0.76 0.00 0.00 57.45 56.82 3dex n PHE 74 Cb 0.00 -2.42 -0.04 0.00 0.35 0.00 0.00 39.48 37.37 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 1.46 2.12 -1.67 -7.13 -0.04 -1.26 -4.94 135.00 123.54 3dex n PRO 75 Ca 0.09 -2.56 -0.44 0.00 -0.04 0.00 0.00 63.50 60.55 3dex n PRO 75 Cb 0.33 -3.46 -0.03 0.00 -0.04 0.00 0.00 33.50 30.29 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 7.82 2.68 -0.33 0.54 0.00 -1.26 -4.84 120.64 125.24 3dex n GLU 76 Ca 0.48 0.98 -0.06 0.00 0.00 0.00 0.00 57.16 58.56 3dex n GLU 76 Cb 0.44 -2.89 -0.03 0.00 0.00 0.00 0.00 31.44 28.96 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 6.59 -0.29 0.34 5.31 -0.04 -1.26 -1.73 135.00 143.92 3dex n PRO 77 Ca 0.20 1.24 -0.18 0.00 -0.04 0.00 0.00 63.50 64.72 3dex n PRO 77 Cb 0.37 -1.83 -0.09 0.00 -0.04 0.00 0.00 33.50 31.91 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 0.12 -0.45 0.52 2.02 -1.98 0.10 112.91 113.23 3dex h THR 78 Ca 0.19 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.46 3dex h THR 78 Cb 0.40 0.12 -0.10 0.00 -1.74 0.00 0.00 68.15 66.83 3dex h THR 78 CO -0.78 0.00 -0.30 0.00 0.37 0.00 0.00 175.52 174.81 3dex h ALA 79 N -0.78 -0.07 -0.07 6.16 0.00 -1.80 -0.77 119.26 121.93 3dex h ALA 79 Ca -0.07 0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 3dex h ALA 79 Cb 0.84 0.68 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 3dex h ALA 79 CO 0.03 -0.67 -0.44 -0.24 0.00 0.00 0.00 179.25 177.93 3dex h VAL 80 N -0.20 1.32 -0.06 0.00 3.04 -1.28 -2.73 116.25 116.34 3dex h VAL 80 Ca 0.20 -1.56 -0.10 0.00 -1.01 0.00 0.00 66.70 64.23 3dex h VAL 80 Cb 0.52 1.76 -0.01 0.00 -2.01 0.00 0.00 31.29 31.55 3dex h VAL 80 CO -0.57 0.46 -0.43 0.11 -1.01 0.00 0.00 177.57 176.12 3dex h LYS 81 N 0.13 0.14 -0.28 4.17 1.57 0.25 -1.69 116.57 120.85 3dex h LYS 81 Ca 0.01 -0.07 -0.14 0.00 -1.87 0.00 0.00 60.65 58.59 3dex h LYS 81 Cb 0.83 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.13 3dex h LYS 81 CO 0.06 0.55 -0.36 -0.09 -0.57 0.00 0.00 179.45 179.05 3dex h ARG 82 N 0.11 0.74 -0.12 3.15 9.65 -0.96 -0.89 114.38 126.07 3dex h ARG 82 Ca 0.01 -0.42 -0.08 0.00 -1.10 0.00 0.00 59.98 58.39 3dex h ARG 82 Cb 0.82 0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 29.41 3dex h ARG 82 CO 0.06 1.04 -0.30 -0.07 2.80 0.00 0.00 179.97 183.51 3dex h LEU 83 N 0.49 0.22 -0.21 3.80 4.07 -1.35 -2.06 115.31 120.27 3dex h LEU 83 Ca 0.04 -0.07 -0.22 0.00 0.08 0.00 0.00 57.88 57.71 3dex h LEU 83 Cb 0.94 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.62 3dex h LEU 83 CO 0.08 0.52 -0.89 0.58 -1.08 0.00 0.00 178.44 177.65 3dex h VAL 84 N 0.20 1.38 -0.35 1.22 2.07 -1.18 -3.28 116.25 116.31 3dex h VAL 84 Ca 0.03 -2.34 -0.07 0.00 0.82 0.00 0.00 66.70 65.14 3dex h VAL 84 Cb 0.63 2.32 -0.01 0.00 -1.52 0.00 0.00 31.29 32.71 3dex h VAL 84 CO 0.05 0.70 -0.05 -0.09 0.02 0.00 0.00 177.57 178.20 3dex h ARG 85 N 0.27 0.65 0.00 1.57 1.12 -0.88 -2.53 114.38 114.58 3dex h ARG 85 Ca -0.07 -0.24 0.00 0.00 -1.11 0.00 0.00 59.98 58.57 3dex h ARG 85 Cb 1.51 -0.04 0.00 0.00 -0.01 0.00 0.00 29.97 31.43 3dex h ARG 85 CO 0.16 0.80 0.49 -0.44 -3.11 0.00 0.00 179.97 177.87 3dex h ASP 86 N 0.45 0.00 -0.84 -3.80 3.45 -1.44 1.26 116.42 115.50 3dex h ASP 86 Ca 0.09 0.00 -0.35 0.00 0.43 0.00 0.00 57.03 57.20 3dex h ASP 86 Cb 0.54 0.00 -0.21 0.00 -0.56 0.00 0.00 39.33 39.10 3dex h ASP 86 CO 0.03 0.00 0.43 0.54 -1.57 0.00 0.00 179.24 178.67 3dex n ARG 87 N -2.50 2.99 -2.81 3.56 5.12 -0.95 -4.51 116.66 117.56 3dex n ARG 87 Ca -0.01 -3.06 -0.09 0.00 -1.93 0.00 0.00 57.85 52.76 3dex n ARG 87 Cb 0.52 -2.19 0.02 0.00 -1.16 0.00 0.00 32.46 29.66 3dex n ARG 87 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 3dex n VAL 88 N -0.65 -0.09 -0.42 1.55 0.31 0.43 -5.07 118.33 114.39 3dex n VAL 88 Ca 0.49 -1.59 0.00 0.00 -0.01 0.00 0.00 64.34 63.23 3dex n VAL 88 Cb 1.51 0.99 0.00 0.00 -0.91 0.00 0.00 33.84 35.43 3dex n VAL 88 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51