#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dex s HIS 13 N 0.00 3.39 0.10 1.09 3.76 -0.93 -4.64 115.29 118.05 3dex s HIS 13 Ca 0.00 1.15 0.08 0.00 -0.15 0.00 0.00 55.06 56.14 3dex s HIS 13 Cb 0.00 -2.48 -0.04 0.00 1.11 0.00 0.00 32.58 31.17 3dex s HIS 13 CO 0.00 0.11 -0.15 0.50 -0.85 0.00 0.00 174.74 174.35 3dex s ARG 14 N -3.02 1.97 0.01 1.40 3.52 -1.26 0.10 118.95 121.65 3dex s ARG 14 Ca 0.53 -1.08 0.03 0.00 -0.13 0.00 0.00 55.73 55.08 3dex s ARG 14 Cb -0.10 -2.20 -0.01 0.00 -1.56 0.00 0.00 34.95 31.07 3dex s ARG 14 CO 0.19 0.50 -0.10 0.08 -0.81 0.00 0.00 175.30 175.16 3dex s VAL 15 N -1.13 0.77 0.00 7.11 1.01 -0.98 -1.67 120.40 125.50 3dex s VAL 15 Ca 0.19 -0.57 0.02 0.00 0.00 0.00 0.00 61.98 61.61 3dex s VAL 15 Cb -0.11 -0.68 -0.01 0.00 0.00 0.00 0.00 36.38 35.59 3dex s VAL 15 CO 0.10 0.11 -0.06 -1.58 0.00 0.00 0.00 175.10 173.67 3dex s GLN 16 N -0.53 0.48 -0.16 2.72 0.74 -0.21 -0.62 119.66 122.08 3dex s GLN 16 Ca 0.02 -0.27 0.00 0.00 0.05 0.00 0.00 55.36 55.16 3dex s GLN 16 Cb -0.05 -0.45 0.03 0.00 1.10 0.00 0.00 33.01 33.64 3dex s GLN 16 CO 0.00 0.12 -0.11 0.42 -0.55 0.00 0.00 175.29 175.17 3dex s ILE 17 N -0.26 1.49 -0.31 -2.34 1.01 0.33 -0.41 121.20 120.69 3dex s ILE 17 Ca 0.01 -0.72 -0.09 0.00 0.00 0.00 0.00 60.65 59.85 3dex s ILE 17 Cb -0.03 -1.49 0.00 0.00 0.01 0.00 0.00 42.46 40.95 3dex s ILE 17 CO -0.00 0.31 0.13 -0.70 0.00 0.00 0.00 174.94 174.68 3dex s GLU 18 N 1.50 3.17 0.04 2.79 2.12 -0.42 -0.63 118.70 127.27 3dex s GLU 18 Ca 0.02 -0.82 0.05 0.00 0.36 0.00 0.00 54.97 54.58 3dex s GLU 18 Cb -0.14 -3.52 -0.03 0.00 0.26 0.00 0.00 34.13 30.70 3dex s GLU 18 CO -0.09 -0.47 -0.11 1.52 -0.54 0.00 0.00 175.26 175.57 3dex s TYR 19 N 1.56 2.76 -0.16 5.30 1.13 -1.03 -1.21 117.35 125.69 3dex s TYR 19 Ca 0.03 -0.13 -0.29 0.00 -1.41 0.00 0.00 57.07 55.27 3dex s TYR 19 Cb -0.17 -1.53 -0.03 0.00 -1.10 0.00 0.00 41.96 39.12 3dex s TYR 19 CO 0.05 0.35 1.54 0.00 -2.51 0.00 0.00 175.55 174.98 3dex h THR 21 N 5.83 1.29 -0.34 0.00 1.03 -1.61 -2.96 112.91 116.14 3dex h THR 21 Ca -0.34 -1.12 -0.01 0.00 -0.01 0.00 0.00 66.41 64.93 3dex h THR 21 Cb 1.15 1.47 -0.02 0.00 -1.07 0.00 0.00 68.15 69.68 3dex h THR 21 CO 0.98 0.35 0.15 1.56 -0.01 0.00 0.00 175.52 178.56 3dex h GLN 22 N 0.26 0.47 0.00 0.00 1.08 -1.80 -1.51 115.11 113.62 3dex h GLN 22 Ca 0.06 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 3dex h GLN 22 Cb 0.56 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.90 3dex h GLN 22 CO 0.03 0.38 0.00 0.00 -0.95 0.00 0.00 178.83 178.29 3dex n ARG 24 N -0.74 -5.70 -0.61 0.00 5.12 -0.57 -4.89 116.66 109.27 3dex n ARG 24 Ca 0.09 0.67 0.10 0.00 -1.93 0.00 0.00 57.85 56.78 3dex n ARG 24 Cb 0.04 -5.45 0.36 0.00 -1.16 0.00 0.00 32.46 26.25 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 1.47 0.08 -1.55 8.01 -1.13 -4.48 117.44 115.38 3dex n TRP 25 Ca -0.17 -0.61 -0.13 0.00 -1.31 0.00 0.00 57.50 55.29 3dex n TRP 25 Cb 0.62 -0.23 -0.07 0.00 -2.01 0.00 0.00 31.31 29.62 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 4.11 -0.09 -0.81 -0.99 5.85 -1.88 -1.85 115.31 119.64 3dex h LEU 26 Ca 0.00 -0.01 0.11 0.00 0.84 0.00 0.00 57.88 58.82 3dex h LEU 26 Cb 1.44 0.02 -0.08 0.00 0.37 0.00 0.00 40.66 42.41 3dex h LEU 26 CO 0.22 -0.05 0.44 1.55 -0.34 0.00 0.00 178.44 180.26 3dex h PRO 27 N -0.13 0.69 0.00 5.25 0.13 -2.00 0.28 132.00 136.23 3dex h PRO 27 Ca -0.01 -0.04 -0.09 0.00 -0.87 0.00 0.00 66.00 64.99 3dex h PRO 27 Cb 0.10 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 31.06 3dex h PRO 27 CO 0.02 0.46 -0.42 0.07 -0.23 0.00 0.00 178.00 177.89 3dex h ARG 28 N 0.71 0.00 -0.15 0.86 0.11 -1.84 -0.75 114.38 113.32 3dex h ARG 28 Ca 0.41 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 60.40 3dex h ARG 28 Cb 0.44 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.52 3dex h ARG 28 CO -0.28 0.42 -0.26 0.00 0.10 0.00 0.00 179.97 179.95 3dex h ALA 29 N 1.58 0.24 -0.96 0.08 0.00 -0.37 -1.96 119.26 117.86 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 1.01 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.71 3dex h ALA 29 CO 0.06 0.22 0.59 0.00 0.00 0.00 0.00 179.25 180.12 3dex h ALA 30 N 0.57 1.22 0.02 0.00 0.00 -0.25 -1.25 119.26 119.58 3dex h ALA 30 Ca 0.01 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 3dex h ALA 30 Cb 0.84 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3dex h ALA 30 CO 0.06 0.67 -0.01 2.35 0.00 0.00 0.00 179.25 182.32 3dex h TRP 31 N 1.32 -0.03 -0.88 0.00 7.01 -1.04 -1.93 115.95 120.40 3dex h TRP 31 Ca 0.35 -0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.38 3dex h TRP 31 Cb -0.07 0.01 -0.05 0.00 -2.10 0.00 0.00 29.16 26.95 3dex h TRP 31 CO 0.00 0.05 0.58 1.25 -2.79 0.00 0.00 178.44 177.53 3dex h LEU 32 N -0.11 0.95 -0.57 0.65 6.46 -1.08 -0.66 115.31 120.95 3dex h LEU 32 Ca -0.00 -0.01 0.02 0.00 -0.12 0.00 0.00 57.88 57.77 3dex h LEU 32 Cb 0.10 -0.22 -0.04 0.00 -0.73 0.00 0.00 40.66 39.77 3dex h LEU 32 CO 0.01 0.66 0.35 0.00 -0.62 0.00 0.00 178.44 178.84 3dex h ALA 33 N 1.48 0.73 -0.41 1.25 0.00 -0.89 0.11 119.26 121.53 3dex h ALA 33 Ca 0.34 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.19 3dex h ALA 33 Cb -0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3dex h ALA 33 CO -0.10 0.09 0.08 0.37 0.00 0.00 0.00 179.25 179.69 3dex h GLN 34 N 0.70 0.67 -0.01 0.00 4.15 -0.54 0.98 115.11 121.07 3dex h GLN 34 Ca 0.22 -0.17 0.01 0.00 0.77 0.00 0.00 58.65 59.49 3dex h GLN 34 Cb -0.00 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 27.59 3dex h GLN 34 CO -0.09 0.70 -0.07 0.93 -1.93 0.00 0.00 178.83 178.38 3dex h GLU 35 N 0.53 -0.12 -0.45 1.69 4.39 -0.49 -0.78 114.58 119.36 3dex h GLU 35 Ca 0.13 0.01 -0.12 0.00 0.34 0.00 0.00 59.36 59.72 3dex h GLU 35 Cb 0.35 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.01 3dex h GLU 35 CO 0.01 -0.08 -0.18 -0.07 -1.16 0.00 0.00 179.01 177.52 3dex h LEU 36 N -0.12 0.90 -1.03 1.33 3.38 -0.70 -2.49 115.31 116.58 3dex h LEU 36 Ca 0.03 -0.32 -0.09 0.00 0.09 0.00 0.00 57.88 57.60 3dex h LEU 36 Cb 0.16 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3dex h LEU 36 CO -0.08 1.06 -0.42 -0.07 0.09 0.00 0.00 178.44 179.03 3dex h LEU 37 N 0.78 0.00 -0.01 1.67 3.38 -0.67 0.14 115.31 120.60 3dex h LEU 37 Ca 0.11 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.85 3dex h LEU 37 Cb 0.72 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 3dex h LEU 37 CO 0.06 0.42 -1.06 0.00 0.09 0.00 0.00 178.44 177.95 3dex h THR 38 N 0.00 1.61 0.05 0.22 1.03 -1.04 -1.82 112.91 112.96 3dex h THR 38 Ca -0.00 -3.16 -0.28 0.00 -0.01 0.00 0.00 66.41 62.95 3dex h THR 38 Cb 0.86 2.81 -0.03 0.00 -1.07 0.00 0.00 68.15 70.73 3dex h THR 38 CO 0.05 0.91 -1.46 0.74 -0.01 0.00 0.00 175.52 175.76 3dex h THR 39 N 0.04 1.20 -0.13 0.00 2.02 -1.24 -3.38 112.91 111.42 3dex h THR 39 Ca -0.06 -2.92 -0.10 0.00 0.77 0.00 0.00 66.41 64.11 3dex h THR 39 Cb 1.79 2.68 -0.08 0.00 -1.74 0.00 0.00 68.15 70.79 3dex h THR 39 CO 0.15 0.77 -0.56 0.49 0.37 0.00 0.00 175.52 176.74 3dex n PHE 40 N -3.31 0.47 -0.10 3.16 3.01 0.47 -4.79 117.46 116.37 3dex n PHE 40 Ca -0.13 -1.61 0.06 0.00 1.01 0.00 0.00 57.45 56.78 3dex n PHE 40 Cb 1.02 -0.26 0.40 0.00 -0.01 0.00 0.00 39.48 40.62 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 1.20 0.63 0.00 -1.08 4.11 -1.50 -0.51 114.58 117.42 3dex h GLU 41 Ca 0.06 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.45 3dex h GLU 41 Cb 1.10 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.21 3dex h GLU 41 CO 0.13 0.41 -0.09 -2.37 0.07 0.00 0.00 179.01 177.17 3dex n THR 42 N -4.47 0.42 0.41 -1.06 5.66 -1.26 -3.75 114.28 110.22 3dex n THR 42 Ca 0.08 -0.21 0.05 0.00 -3.05 0.00 0.00 64.05 60.91 3dex n THR 42 Cb 0.18 -0.49 -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 -2.05 3.15 -3.99 1.09 4.71 -0.68 -4.81 120.64 118.05 3dex n GLU 43 Ca 0.06 -0.01 -0.35 0.00 -0.01 0.00 0.00 57.16 56.84 3dex n GLU 43 Cb 0.41 -1.02 -0.09 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 -2.66 3.94 0.12 -4.62 1.43 -0.29 -2.20 118.68 114.41 3dex s LEU 44 Ca 0.03 0.18 0.03 0.00 -1.03 0.00 0.00 54.13 53.34 3dex s LEU 44 Cb 0.08 -1.98 -0.16 0.00 0.03 0.00 0.00 46.19 44.16 3dex s LEU 44 CO 0.42 0.25 1.28 0.00 0.23 0.00 0.00 176.35 178.52 3dex h THR 45 N 4.58 1.59 -1.30 5.49 1.03 -0.61 -3.41 112.91 120.28 3dex h THR 45 Ca -0.43 -3.07 0.28 0.00 -0.01 0.00 0.00 66.41 63.19 3dex h THR 45 Cb 1.18 2.75 -0.20 0.00 -1.07 0.00 0.00 68.15 70.81 3dex h THR 45 CO 0.67 0.89 0.88 -1.83 -0.01 0.00 0.00 175.52 176.11 3dex s GLU 46 N -2.86 0.20 -0.10 0.00 -1.05 -1.25 -4.95 118.70 108.69 3dex s GLU 46 Ca -0.02 -0.07 0.01 0.00 -0.15 0.00 0.00 54.97 54.75 3dex s GLU 46 Cb 0.09 0.09 0.02 0.00 -0.44 0.00 0.00 34.13 33.89 3dex s GLU 46 CO 0.84 -0.08 -0.12 -1.17 0.95 0.00 0.00 175.26 175.67 3dex s LEU 47 N -2.05 1.56 0.07 1.83 0.20 -1.26 -2.33 118.68 116.70 3dex s LEU 47 Ca 0.10 -0.35 0.05 0.00 0.69 0.00 0.00 54.13 54.62 3dex s LEU 47 Cb -0.01 -0.94 -0.04 0.00 -0.43 0.00 0.00 46.19 44.78 3dex s LEU 47 CO -0.04 -0.01 -0.06 0.00 -0.29 0.00 0.00 176.35 175.95 3dex s ALA 48 N 1.07 3.08 -0.23 5.97 0.00 0.20 -4.99 121.76 126.86 3dex s ALA 48 Ca -0.06 -1.13 -0.04 0.00 0.00 0.00 0.00 51.96 50.72 3dex s ALA 48 Cb -0.15 -1.06 -0.01 0.00 0.00 0.00 0.00 23.12 21.91 3dex s ALA 48 CO -0.02 0.65 -0.03 -0.51 0.00 0.00 0.00 175.76 175.86 3dex s LEU 49 N -1.99 2.98 -0.25 0.00 1.43 -1.26 -0.51 118.68 119.08 3dex s LEU 49 Ca 0.21 -0.40 -0.04 0.00 -1.03 0.00 0.00 54.13 52.88 3dex s LEU 49 Cb -0.11 -1.76 0.01 0.00 0.03 0.00 0.00 46.19 44.36 3dex s LEU 49 CO 0.13 -0.03 -0.02 -0.75 0.23 0.00 0.00 176.35 175.91 3dex s LYS 50 N 1.49 3.07 0.28 1.70 2.20 0.20 -4.96 119.74 123.73 3dex s LYS 50 Ca 0.06 -0.83 -0.30 0.00 -0.36 0.00 0.00 55.97 54.53 3dex s LYS 50 Cb -0.14 -3.10 -0.12 0.00 -1.51 0.00 0.00 37.83 32.96 3dex s LYS 50 CO -0.03 -0.35 1.62 -2.30 -0.36 0.00 0.00 175.35 173.94 3dex n PRO 51 N 4.76 2.74 -4.50 4.03 -0.02 -1.26 -2.47 135.00 138.27 3dex n PRO 51 Ca -0.16 0.98 -0.31 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 2.84 0.00 -1.23 0.00 0.21 -4.85 107.32 104.90 3dex s GLY 52 Ca 0.66 -0.62 0.00 0.00 0.00 0.00 0.00 44.72 44.75 3dex s GLY 52 CO 0.46 -2.12 0.00 2.41 0.00 0.00 0.00 173.10 173.85 3dex n THR 53 N -1.41 0.00 -4.98 0.90 -1.04 -1.26 -2.45 114.28 104.04 3dex n THR 53 Ca -0.14 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.56 3dex n THR 53 Cb 0.66 -0.28 -0.17 0.00 -1.82 0.00 0.00 70.33 68.72 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 1.22 0.00 3.41 0.00 -1.26 -3.97 107.32 106.72 3dex s GLY 54 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 44.72 43.85 3dex s GLY 54 CO 0.00 -0.17 0.00 0.61 0.00 0.00 0.00 173.10 173.54 3dex n GLY 55 N 3.69 0.16 3.71 0.20 0.00 -1.26 -4.95 105.19 106.75 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 -1.46 4.22 -0.36 1.61 1.01 -1.26 -4.81 120.40 119.34 3dex s VAL 56 Ca 0.00 1.59 0.05 0.00 0.00 0.00 0.00 61.98 63.61 3dex s VAL 56 Cb 0.00 -4.02 0.17 0.00 0.00 0.00 0.00 36.38 32.53 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 0.06 5.22 5.36 -1.22 0.66 117.98 128.37 3dex s PHE 57 Ca 0.57 -0.14 0.06 0.00 -0.96 0.00 0.00 56.93 56.46 3dex s PHE 57 Cb -0.27 -0.09 -0.03 0.00 -0.34 0.00 0.00 43.02 42.29 3dex s PHE 57 CO 0.28 -1.04 -0.16 0.54 -1.46 0.00 0.00 175.22 173.37 3dex s VAL 58 N 1.88 1.24 -0.12 3.12 0.11 -0.35 -1.48 120.40 124.81 3dex s VAL 58 Ca 0.15 -1.22 -0.00 0.00 -2.93 0.00 0.00 61.98 57.97 3dex s VAL 58 Cb -0.11 -1.15 -0.02 0.00 -1.53 0.00 0.00 36.38 33.57 3dex s VAL 58 CO -0.12 -0.08 -0.10 -0.69 -3.33 0.00 0.00 175.10 170.78 3dex s VAL 59 N -1.06 3.39 0.00 2.04 1.01 0.10 -1.30 120.40 124.58 3dex s VAL 59 Ca 0.01 -0.56 0.08 0.00 0.00 0.00 0.00 61.98 61.52 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 0.02 0.54 -0.25 -0.13 0.00 0.00 0.00 175.10 175.28 3dex s ARG 60 N 0.02 1.91 -0.17 2.72 0.52 0.45 -0.47 118.95 123.91 3dex s ARG 60 Ca -0.02 -0.94 0.00 0.00 -0.52 0.00 0.00 55.73 54.25 3dex s ARG 60 Cb -0.14 -1.91 0.04 0.00 0.52 0.00 0.00 34.95 33.46 3dex s ARG 60 CO 0.04 0.52 -0.09 0.08 0.02 0.00 0.00 175.30 175.86 3dex s VAL 61 N -0.65 1.43 -1.26 3.52 1.01 0.71 -1.04 120.40 124.12 3dex s VAL 61 Ca 0.10 -0.78 -0.00 0.00 0.00 0.00 0.00 61.98 61.29 3dex s VAL 61 Cb -0.10 -1.51 0.00 0.00 0.00 0.00 0.00 36.38 34.78 3dex s VAL 61 CO -0.00 0.22 0.84 0.47 0.00 0.00 0.00 175.10 176.64 3dex n ASP 62 N 4.77 -1.70 0.00 3.32 10.43 -0.67 -1.61 116.55 131.09 3dex n ASP 62 Ca -0.14 -0.73 0.00 0.00 2.57 0.00 0.00 54.79 56.49 3dex n ASP 62 Cb 0.48 -4.54 0.00 0.00 1.84 0.00 0.00 41.12 38.89 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 -0.28 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 54.84 3dex n ASP 63 Cb 0.67 -0.65 -0.08 0.00 -0.02 0.00 0.00 41.12 41.04 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 -0.00 4.14 0.03 -1.24 2.02 -0.64 -5.03 118.70 117.98 3dex s GLU 64 Ca 0.00 0.11 -0.30 0.00 0.02 0.00 0.00 54.97 54.79 3dex s GLU 64 Cb 0.00 -3.55 -0.07 0.00 0.10 0.00 0.00 34.13 30.61 3dex s GLU 64 CO 0.00 -0.06 1.51 0.54 0.02 0.00 0.00 175.26 177.27 3dex s VAL 65 N 1.38 3.41 -0.03 2.63 0.11 -1.26 -0.21 120.40 126.43 3dex s VAL 65 Ca 0.17 0.83 0.10 0.00 -2.93 0.00 0.00 61.98 60.15 3dex s VAL 65 Cb -0.15 -3.53 -0.15 0.00 -1.53 0.00 0.00 36.38 31.02 3dex s VAL 65 CO 0.08 -0.00 0.19 0.52 -3.33 0.00 0.00 175.10 172.55 3dex n VAL 66 N 4.68 0.13 -3.70 2.04 0.31 0.38 -4.91 118.33 117.24 3dex n VAL 66 Ca 0.14 -0.27 -0.11 0.00 -0.01 0.00 0.00 64.34 64.09 3dex n VAL 66 Cb 0.42 0.07 -0.12 0.00 -0.91 0.00 0.00 33.84 33.30 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 -2.62 -0.52 -0.11 3.52 -0.11 -0.96 -4.97 118.94 113.18 3dex s TRP 67 Ca -0.04 1.13 0.00 0.00 1.22 0.00 0.00 56.10 58.42 3dex s TRP 67 Cb 0.06 0.19 0.02 0.00 -1.50 0.00 0.00 33.47 32.25 3dex s TRP 67 CO 0.42 -0.31 -0.09 0.34 -4.62 0.00 0.00 176.95 172.69 3dex s ASP 68 N 1.41 2.12 0.12 5.86 -1.08 -1.26 0.02 116.67 123.86 3dex s ASP 68 Ca -0.09 -0.31 -0.33 0.00 -0.52 0.00 0.00 52.55 51.30 3dex s ASP 68 Cb -0.09 -0.86 -0.11 0.00 -1.46 0.00 0.00 42.92 40.40 3dex s ASP 68 CO -0.11 -0.08 1.56 -0.09 0.52 0.00 0.00 175.17 176.97 3dex h ARG 69 N 7.92 -0.59 -1.96 4.34 2.43 -1.45 0.26 114.38 125.33 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 1.14 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.83 3dex h ARG 69 CO 0.43 -0.39 0.00 2.89 -1.51 0.00 0.00 179.97 181.39 3dex n ARG 70 N -5.45 0.79 0.00 0.20 -4.01 -1.26 0.67 116.66 107.59 3dex n ARG 70 Ca -0.06 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.75 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 1.56 0.00 0.00 2.89 4.07 -0.84 -4.93 120.64 123.39 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 -0.19 0.00 0.00 -0.06 0.00 0.00 31.44 31.58 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 -1.12 1.08 0.00 5.31 6.02 0.02 -5.03 117.38 123.66 3dex n GLN 72 Ca 0.00 -0.84 0.00 0.00 -0.01 0.00 0.00 57.00 56.15 3dex n GLN 72 Cb 0.00 -0.73 0.00 0.00 1.02 0.00 0.00 30.24 30.53 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 -0.77 3.65 1.08 0.00 0.21 -4.83 105.19 104.34 3dex n GLY 73 Ca 0.00 -1.14 -0.45 0.00 0.00 0.00 0.00 46.02 44.43 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 -0.30 1.98 -1.83 1.61 7.35 -1.26 -4.33 117.46 120.67 3dex n PHE 74 Ca 0.00 0.49 -0.36 0.00 -0.76 0.00 0.00 57.45 56.82 3dex n PHE 74 Cb 0.00 -2.42 -0.05 0.00 0.35 0.00 0.00 39.48 37.36 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 1.93 1.89 -1.67 -7.13 -0.04 -1.26 -4.93 135.00 123.78 3dex n PRO 75 Ca 0.12 -2.40 -0.44 0.00 -0.04 0.00 0.00 63.50 60.74 3dex n PRO 75 Cb 0.30 -3.41 -0.04 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 7.73 2.61 -0.33 0.54 0.00 -1.26 -4.84 120.64 125.09 3dex n GLU 76 Ca 0.48 0.96 -0.05 0.00 0.00 0.00 0.00 57.16 58.54 3dex n GLU 76 Cb 0.44 -2.86 -0.03 0.00 0.00 0.00 0.00 31.44 29.00 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 6.62 -0.28 0.32 5.31 -0.04 -1.26 -1.82 135.00 143.85 3dex n PRO 77 Ca 0.20 1.27 -0.18 0.00 -0.04 0.00 0.00 63.50 64.75 3dex n PRO 77 Cb 0.36 -1.87 -0.09 0.00 -0.04 0.00 0.00 33.50 31.86 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 0.16 -0.43 0.52 2.02 -1.98 0.11 112.91 113.31 3dex h THR 78 Ca 0.21 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.47 3dex h THR 78 Cb 0.42 0.16 -0.09 0.00 -1.74 0.00 0.00 68.15 66.89 3dex h THR 78 CO -0.80 0.00 -0.29 0.00 0.37 0.00 0.00 175.52 174.80 3dex h ALA 79 N -0.67 -0.08 -0.07 6.16 0.00 -1.81 -0.40 119.26 122.38 3dex h ALA 79 Ca -0.06 0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 3dex h ALA 79 Cb 0.80 0.65 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 3dex h ALA 79 CO 0.02 -0.67 -0.42 -0.24 0.00 0.00 0.00 179.25 177.94 3dex h VAL 80 N -0.21 1.31 -0.05 0.00 3.04 -1.31 -2.67 116.25 116.37 3dex h VAL 80 Ca 0.19 -1.51 -0.11 0.00 -1.01 0.00 0.00 66.70 64.26 3dex h VAL 80 Cb 0.52 1.72 -0.01 0.00 -2.01 0.00 0.00 31.29 31.50 3dex h VAL 80 CO -0.55 0.44 -0.47 0.11 -1.01 0.00 0.00 177.57 176.09 3dex h LYS 81 N 0.14 0.11 -0.28 4.17 1.57 0.28 -1.69 116.57 120.87 3dex h LYS 81 Ca 0.01 -0.06 -0.15 0.00 -1.87 0.00 0.00 60.65 58.58 3dex h LYS 81 Cb 0.80 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.11 3dex h LYS 81 CO 0.06 0.56 -0.43 -0.09 -0.57 0.00 0.00 179.45 178.99 3dex h ARG 82 N 0.09 0.78 -0.09 3.15 2.43 -0.86 -1.02 114.38 118.87 3dex h ARG 82 Ca 0.00 -0.47 -0.10 0.00 -0.81 0.00 0.00 59.98 58.61 3dex h ARG 82 Cb 0.87 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.46 3dex h ARG 82 CO 0.07 1.10 -0.39 -0.07 -1.51 0.00 0.00 179.97 179.17 3dex h LEU 83 N 0.54 0.19 -0.27 3.80 4.07 -1.36 -1.29 115.31 120.98 3dex h LEU 83 Ca 0.03 -0.07 -0.21 0.00 0.08 0.00 0.00 57.88 57.70 3dex h LEU 83 Cb 1.02 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.71 3dex h LEU 83 CO 0.10 0.56 -0.83 0.58 -1.08 0.00 0.00 178.44 177.77 3dex h VAL 84 N 0.16 1.38 -0.41 1.22 2.07 -1.18 -3.21 116.25 116.28 3dex h VAL 84 Ca 0.02 -2.27 -0.12 0.00 0.82 0.00 0.00 66.70 65.15 3dex h VAL 84 Cb 0.76 2.24 -0.01 0.00 -1.52 0.00 0.00 31.29 32.76 3dex h VAL 84 CO 0.06 0.68 -0.20 -0.09 0.02 0.00 0.00 177.57 178.04 3dex h ARG 85 N 0.28 0.86 -1.14 1.57 1.12 -0.95 -2.47 114.38 113.65 3dex h ARG 85 Ca -0.06 -0.38 0.33 0.00 -1.11 0.00 0.00 59.98 58.77 3dex h ARG 85 Cb 1.44 -0.02 -0.05 0.00 -0.01 0.00 0.00 29.97 31.33 3dex h ARG 85 CO 0.15 1.02 0.87 -0.44 -3.11 0.00 0.00 179.97 178.46 3dex h ASP 86 N 0.68 0.00 0.00 -3.80 3.45 -1.24 0.10 116.42 115.62 3dex h ASP 86 Ca 0.09 0.00 -0.16 0.00 0.43 0.00 0.00 57.03 57.39 3dex h ASP 86 Cb 0.76 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 39.50 3dex h ASP 86 CO 0.06 0.00 -2.08 0.54 -1.57 0.00 0.00 179.24 176.19 3dex n ARG 87 N -4.05 0.79 0.00 3.56 1.74 -1.16 -4.54 116.66 112.99 3dex n ARG 87 Ca 0.25 -0.10 0.00 0.00 -0.77 0.00 0.00 57.85 57.23 3dex n ARG 87 Cb 1.25 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 31.21 3dex n ARG 87 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3dex n VAL 88 N -2.43 0.00 -2.94 1.55 0.31 -0.03 -4.78 118.33 110.01 3dex n VAL 88 Ca -0.16 0.00 -0.44 0.00 -0.01 0.00 0.00 64.34 63.73 3dex n VAL 88 Cb 0.80 -0.14 0.00 0.00 -0.91 0.00 0.00 33.84 33.59 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 4.23 -0.30 3.52 0.00 -0.87 -4.87 120.51 119.21 3dex n ALA 89 Ca 0.00 -4.37 0.13 0.00 0.00 0.00 0.00 53.44 49.21 3dex n ALA 89 Cb 0.00 -2.89 0.31 0.00 0.00 0.00 0.00 19.45 16.87 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 6.75 0.36 -2.01 0.00 0.13 -1.78 -1.46 132.00 134.00 3dex h PRO 90 Ca 0.30 -0.02 -0.10 0.00 -0.87 0.00 0.00 66.00 65.31 3dex h PRO 90 Cb 0.82 -0.08 -0.04 0.00 0.13 0.00 0.00 31.00 31.84 3dex h PRO 90 CO 1.26 0.24 -0.20 0.39 -0.23 0.00 0.00 178.00 179.46 3dex n GLU 91 N -5.07 1.50 0.00 0.86 4.71 -1.26 -4.89 120.64 116.49 3dex n GLU 91 Ca 0.22 -0.51 0.00 0.00 -0.01 0.00 0.00 57.16 56.86 3dex n GLU 91 Cb 0.67 -1.52 0.00 0.00 -1.01 0.00 0.00 31.44 29.58 3dex n GLU 91 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39