#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 2.84 -0.11 1.09 0.09 -0.98 -4.83 115.29 113.39 3dex s HIS 13 Ca 0.00 -0.58 -0.08 0.00 -0.00 0.00 0.00 55.06 54.40 3dex s HIS 13 Cb 0.00 -1.85 -0.04 0.00 -0.00 0.00 0.00 32.58 30.69 3dex s HIS 13 CO 0.00 -0.17 0.17 1.03 -0.00 0.00 0.00 174.74 175.77 3dex s ARG 14 N 0.30 3.54 0.05 1.40 0.52 -1.26 -1.03 118.95 122.47 3dex s ARG 14 Ca -0.09 -0.07 0.07 0.00 -0.52 0.00 0.00 55.73 55.11 3dex s ARG 14 Cb -0.16 -3.21 -0.02 0.00 0.52 0.00 0.00 34.95 32.08 3dex s ARG 14 CO 0.05 0.74 -0.19 0.08 0.02 0.00 0.00 175.30 176.00 3dex s VAL 15 N -0.95 1.52 0.00 3.52 1.01 -0.93 -0.97 120.40 123.61 3dex s VAL 15 Ca 0.16 -1.16 0.01 0.00 0.00 0.00 0.00 61.98 60.98 3dex s VAL 15 Cb -0.12 -1.34 -0.01 0.00 0.00 0.00 0.00 36.38 34.91 3dex s VAL 15 CO 0.05 0.14 -0.04 -1.58 0.00 0.00 0.00 175.10 173.67 3dex s GLN 16 N -1.21 0.28 -0.16 2.72 0.74 -0.20 -0.81 119.66 121.02 3dex s GLN 16 Ca 0.06 -0.22 0.00 0.00 0.05 0.00 0.00 55.36 55.25 3dex s GLN 16 Cb -0.09 -0.22 0.03 0.00 1.10 0.00 0.00 33.01 33.84 3dex s GLN 16 CO 0.02 0.05 -0.10 0.42 -0.55 0.00 0.00 175.29 175.13 3dex s ILE 17 N -0.34 1.42 -0.31 -2.34 1.01 0.38 -0.31 121.20 120.72 3dex s ILE 17 Ca -0.02 -0.70 -0.09 0.00 0.00 0.00 0.00 60.65 59.84 3dex s ILE 17 Cb -0.03 -1.45 0.00 0.00 0.01 0.00 0.00 42.46 40.99 3dex s ILE 17 CO -0.00 0.28 0.13 -0.70 0.00 0.00 0.00 174.94 174.65 3dex s GLU 18 N 1.52 3.21 0.01 2.79 2.12 -0.24 -0.84 118.70 127.26 3dex s GLU 18 Ca 0.02 -0.79 0.05 0.00 0.36 0.00 0.00 54.97 54.61 3dex s GLU 18 Cb -0.14 -3.50 -0.03 0.00 0.26 0.00 0.00 34.13 30.71 3dex s GLU 18 CO -0.09 -0.44 -0.13 1.52 -0.54 0.00 0.00 175.26 175.58 3dex s TYR 19 N 1.57 2.71 -0.14 5.30 1.13 -1.04 -1.18 117.35 125.70 3dex s TYR 19 Ca 0.04 -0.16 -0.29 0.00 -1.41 0.00 0.00 57.07 55.25 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 0.28 1.62 0.00 -2.51 0.00 0.00 175.55 174.99 3dex h THR 21 N 5.84 1.28 -0.29 0.00 1.03 -1.61 -2.98 112.91 116.17 3dex h THR 21 Ca -0.36 -1.12 -0.02 0.00 -0.01 0.00 0.00 66.41 64.90 3dex h THR 21 Cb 1.16 1.44 -0.02 0.00 -1.07 0.00 0.00 68.15 69.66 3dex h THR 21 CO 0.97 0.36 0.09 1.56 -0.01 0.00 0.00 175.52 178.49 3dex h GLN 22 N 0.30 0.41 0.00 0.00 1.08 -1.80 -1.45 115.11 113.66 3dex h GLN 22 Ca 0.07 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 3dex h GLN 22 Cb 0.57 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.92 3dex h GLN 22 CO 0.03 0.37 0.00 0.00 -0.95 0.00 0.00 178.83 178.28 3dex n ARG 24 N -0.80 -5.97 -0.59 0.00 5.12 -0.54 -4.90 116.66 108.98 3dex n ARG 24 Ca 0.11 0.71 0.09 0.00 -1.93 0.00 0.00 57.85 56.83 3dex n ARG 24 Cb 0.05 -5.53 0.34 0.00 -1.16 0.00 0.00 32.46 26.16 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 -4.43 1.42 0.05 -1.55 8.01 -1.13 -4.48 117.44 115.33 3dex n TRP 25 Ca -0.18 -0.62 -0.12 0.00 -1.31 0.00 0.00 57.50 55.26 3dex n TRP 25 Cb 0.63 -0.24 -0.07 0.00 -2.01 0.00 0.00 31.31 29.61 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 3.85 -0.05 -0.77 -0.99 5.85 -1.89 -1.74 115.31 119.58 3dex h LEU 26 Ca 0.00 -0.06 0.10 0.00 0.84 0.00 0.00 57.88 58.76 3dex h LEU 26 Cb 1.43 0.01 -0.08 0.00 0.37 0.00 0.00 40.66 42.40 3dex h LEU 26 CO 0.23 0.03 0.40 1.55 -0.34 0.00 0.00 178.44 180.30 3dex h PRO 27 N -0.13 0.64 0.00 5.25 0.13 -2.00 0.21 132.00 136.11 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 0.11 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 31.08 3dex h PRO 27 CO 0.01 0.42 -0.49 0.07 -0.23 0.00 0.00 178.00 177.78 3dex h ARG 28 N 0.66 0.00 -0.22 0.86 0.11 -1.84 -1.03 114.38 112.91 3dex h ARG 28 Ca 0.38 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 60.40 3dex h ARG 28 Cb 0.42 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.50 3dex h ARG 28 CO -0.28 0.49 -0.12 0.00 0.10 0.00 0.00 179.97 180.17 3dex h ALA 29 N 1.51 0.31 -0.83 0.08 0.00 -0.37 -1.87 119.26 118.09 3dex h ALA 29 Ca -0.00 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 3dex h ALA 29 Cb 1.02 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 3dex h ALA 29 CO 0.06 0.17 0.47 0.00 0.00 0.00 0.00 179.25 179.95 3dex h ALA 30 N 0.71 1.25 -0.16 0.00 0.00 -0.37 -0.91 119.26 119.79 3dex h ALA 30 Ca 0.05 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3dex h ALA 30 Cb 0.62 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3dex h ALA 30 CO 0.03 0.61 0.05 2.35 0.00 0.00 0.00 179.25 182.30 3dex h TRP 31 N 1.16 0.25 -0.91 0.00 7.01 -1.08 -2.09 115.95 120.29 3dex h TRP 31 Ca 0.30 -0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.27 3dex h TRP 31 Cb 0.01 -0.07 -0.04 0.00 -2.10 0.00 0.00 29.16 26.95 3dex h TRP 31 CO 0.01 0.35 0.56 1.25 -2.79 0.00 0.00 178.44 177.82 3dex h LEU 32 N 0.08 1.08 -0.68 0.65 6.46 -1.03 -0.88 115.31 120.99 3dex h LEU 32 Ca 0.05 -0.06 0.04 0.00 -0.12 0.00 0.00 57.88 57.79 3dex h LEU 32 Cb 0.22 -0.27 -0.05 0.00 -0.73 0.00 0.00 40.66 39.83 3dex h LEU 32 CO -0.00 0.82 0.41 0.00 -0.62 0.00 0.00 178.44 179.05 3dex h ALA 33 N 1.37 0.89 -0.47 1.25 0.00 -0.91 0.15 119.26 121.54 3dex h ALA 33 Ca 0.33 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.15 3dex h ALA 33 Cb -0.07 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3dex h ALA 33 CO -0.06 0.15 -0.01 0.37 0.00 0.00 0.00 179.25 179.70 3dex h GLN 34 N 0.79 0.84 0.03 0.00 4.15 -0.70 0.11 115.11 120.32 3dex h GLN 34 Ca 0.28 -0.27 0.00 0.00 0.77 0.00 0.00 58.65 59.43 3dex h GLN 34 Cb 0.07 -0.07 -0.00 0.00 0.21 0.00 0.00 27.48 27.68 3dex h GLN 34 CO -0.13 0.89 -0.02 0.93 -1.93 0.00 0.00 178.83 178.57 3dex h GLU 35 N 0.69 -0.06 -0.48 1.69 4.39 -0.47 -1.30 114.58 119.05 3dex h GLU 35 Ca 0.13 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.71 3dex h GLU 35 Cb 0.52 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.17 3dex h GLU 35 CO 0.03 -0.04 -0.18 -0.07 -1.16 0.00 0.00 179.01 177.59 3dex h LEU 36 N -0.06 0.96 -1.08 1.33 3.38 -0.65 -2.54 115.31 116.64 3dex h LEU 36 Ca -0.00 -0.34 -0.08 0.00 0.09 0.00 0.00 57.88 57.55 3dex h LEU 36 Cb 0.05 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 3dex h LEU 36 CO -0.00 1.11 -0.38 -0.07 0.09 0.00 0.00 178.44 179.19 3dex h LEU 37 N 0.82 0.00 0.03 1.67 3.38 -0.69 0.15 115.31 120.67 3dex h LEU 37 Ca 0.12 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.86 3dex h LEU 37 Cb 0.73 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 3dex h LEU 37 CO 0.06 0.38 -1.09 0.00 0.09 0.00 0.00 178.44 177.89 3dex h THR 38 N 0.00 1.63 0.09 0.22 1.03 -1.15 -1.78 112.91 112.95 3dex h THR 38 Ca -0.00 -3.32 -0.29 0.00 -0.01 0.00 0.00 66.41 62.78 3dex h THR 38 Cb 0.82 2.85 -0.02 0.00 -1.07 0.00 0.00 68.15 70.73 3dex h THR 38 CO 0.05 0.94 -1.51 0.74 -0.01 0.00 0.00 175.52 175.73 3dex h THR 39 N 0.02 1.16 -0.13 0.00 2.02 -1.19 -3.38 112.91 111.41 3dex h THR 39 Ca -0.05 -2.84 -0.08 0.00 0.77 0.00 0.00 66.41 64.21 3dex h THR 39 Cb 1.82 2.71 -0.05 0.00 -1.74 0.00 0.00 68.15 70.90 3dex h THR 39 CO 0.14 0.79 -0.39 0.49 0.37 0.00 0.00 175.52 176.92 3dex n PHE 40 N -3.38 0.43 -0.11 3.16 3.01 0.49 -4.78 117.46 116.27 3dex n PHE 40 Ca -0.15 -1.57 0.07 0.00 1.01 0.00 0.00 57.45 56.81 3dex n PHE 40 Cb 1.03 -0.33 0.41 0.00 -0.01 0.00 0.00 39.48 40.59 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 1.05 0.59 0.00 -1.08 4.11 -1.50 -0.29 114.58 117.47 3dex h GLU 41 Ca 0.08 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.47 3dex h GLU 41 Cb 1.21 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.32 3dex h GLU 41 CO 0.15 0.39 -0.08 -2.37 0.07 0.00 0.00 179.01 177.17 3dex n THR 42 N -4.48 0.47 0.42 -1.06 5.66 -1.26 -3.78 114.28 110.25 3dex n THR 42 Ca 0.09 -0.23 0.05 0.00 -3.05 0.00 0.00 64.05 60.90 3dex n THR 42 Cb 0.23 -0.50 -0.06 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 -2.11 3.22 -3.95 1.09 4.71 -0.62 -4.88 120.64 118.09 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 0.42 -1.01 -0.09 0.00 -1.01 0.00 0.00 31.44 29.75 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 -2.64 3.99 0.11 -4.62 1.43 -0.22 -2.32 118.68 114.42 3dex s LEU 44 Ca 0.03 0.20 0.01 0.00 -1.03 0.00 0.00 54.13 53.33 3dex s LEU 44 Cb 0.08 -2.00 -0.19 0.00 0.03 0.00 0.00 46.19 44.10 3dex s LEU 44 CO 0.42 0.24 1.24 0.00 0.23 0.00 0.00 176.35 178.48 3dex h THR 45 N 4.58 1.56 -1.31 5.49 1.03 -1.40 -3.41 112.91 119.45 3dex h THR 45 Ca -0.43 -3.06 0.27 0.00 -0.01 0.00 0.00 66.41 63.19 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 0.68 0.89 0.87 -1.83 -0.01 0.00 0.00 175.52 176.11 3dex s GLU 46 N -2.82 0.20 -0.09 0.00 -1.05 -1.26 -4.92 118.70 108.77 3dex s GLU 46 Ca -0.02 -0.06 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 0.85 -0.09 -0.11 -1.17 0.95 0.00 0.00 175.26 175.70 3dex s LEU 47 N -1.97 1.48 0.07 1.83 0.20 -1.26 -2.19 118.68 116.83 3dex s LEU 47 Ca 0.10 -0.33 0.05 0.00 0.69 0.00 0.00 54.13 54.64 3dex s LEU 47 Cb -0.01 -0.89 -0.04 0.00 -0.43 0.00 0.00 46.19 44.83 3dex s LEU 47 CO -0.04 -0.03 -0.06 0.00 -0.29 0.00 0.00 176.35 175.93 3dex s ALA 48 N 1.16 3.08 -0.23 5.97 0.00 0.01 -4.99 121.76 126.76 3dex s ALA 48 Ca -0.05 -1.13 -0.05 0.00 0.00 0.00 0.00 51.96 50.74 3dex s ALA 48 Cb -0.14 -1.07 -0.01 0.00 0.00 0.00 0.00 23.12 21.90 3dex s ALA 48 CO -0.03 0.65 -0.01 -0.51 0.00 0.00 0.00 175.76 175.87 3dex s LEU 49 N -1.97 3.11 -0.25 0.00 1.43 -1.26 -0.47 118.68 119.27 3dex s LEU 49 Ca 0.21 -0.38 -0.04 0.00 -1.03 0.00 0.00 54.13 52.90 3dex s LEU 49 Cb -0.11 -1.79 0.01 0.00 0.03 0.00 0.00 46.19 44.32 3dex s LEU 49 CO 0.13 -0.04 -0.01 -0.75 0.23 0.00 0.00 176.35 175.91 3dex s LYS 50 N 1.51 3.09 0.29 1.70 2.20 -0.02 -4.96 119.74 123.55 3dex s LYS 50 Ca 0.06 -0.83 -0.30 0.00 -0.36 0.00 0.00 55.97 54.54 3dex s LYS 50 Cb -0.15 -3.11 -0.11 0.00 -1.51 0.00 0.00 37.83 32.95 3dex s LYS 50 CO -0.01 -0.35 1.61 -2.14 -0.36 0.00 0.00 175.35 174.10 3dex s PRO 51 N 1.43 4.11 0.51 4.03 0.02 -1.26 -2.50 135.00 141.34 3dex s PRO 51 Ca 0.03 2.59 0.03 0.00 0.02 0.00 0.00 61.00 63.67 3dex s PRO 51 Cb -0.16 -3.02 -0.01 0.00 0.02 0.00 0.00 34.50 31.33 3dex s PRO 51 CO -0.02 -0.65 0.10 0.20 -0.33 0.00 0.00 177.00 176.31 3dex s GLY 52 N 0.52 2.83 0.00 0.52 0.00 0.11 -4.85 107.32 106.45 3dex s GLY 52 Ca 0.64 -0.74 0.00 0.00 0.00 0.00 0.00 44.72 44.62 3dex s GLY 52 CO 0.48 -2.12 0.00 2.41 0.00 0.00 0.00 173.10 173.86 3dex n THR 53 N -1.37 0.00 -4.86 0.90 -1.04 -1.26 -2.47 114.28 104.18 3dex n THR 53 Ca -0.14 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.56 3dex n THR 53 Cb 0.66 -0.30 -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 -0.92 0.00 0.00 0.00 0.00 0.00 44.72 43.80 3dex s GLY 54 CO 0.00 -0.10 0.00 0.61 0.00 0.00 0.00 173.10 173.61 3dex n GLY 55 N 3.83 0.20 3.72 0.20 0.00 -1.26 -4.95 105.19 106.93 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 -1.56 4.30 -0.37 1.61 1.01 -1.26 -4.81 120.40 119.31 3dex s VAL 56 Ca 0.00 1.70 0.05 0.00 0.00 0.00 0.00 61.98 63.73 3dex s VAL 56 Cb 0.00 -4.09 0.17 0.00 0.00 0.00 0.00 36.38 32.46 3dex s VAL 56 CO 0.00 0.16 0.50 0.12 0.00 0.00 0.00 175.10 175.88 3dex s PHE 57 N 0.80 -1.10 0.08 5.22 5.36 -1.21 0.69 117.98 127.82 3dex s PHE 57 Ca 0.55 -0.09 0.06 0.00 -0.96 0.00 0.00 56.93 56.49 3dex s PHE 57 Cb -0.26 -0.02 -0.03 0.00 -0.34 0.00 0.00 43.02 42.36 3dex s PHE 57 CO 0.30 -1.07 -0.17 0.54 -1.46 0.00 0.00 175.22 173.36 3dex s VAL 58 N 1.85 1.36 -0.13 3.12 0.11 -0.32 -1.59 120.40 124.79 3dex s VAL 58 Ca 0.15 -1.34 -0.01 0.00 -2.93 0.00 0.00 61.98 57.85 3dex s VAL 58 Cb -0.10 -1.26 -0.02 0.00 -1.53 0.00 0.00 36.38 33.48 3dex s VAL 58 CO -0.10 -0.11 -0.11 -0.69 -3.33 0.00 0.00 175.10 170.76 3dex s VAL 59 N -1.15 3.24 -0.01 2.04 1.01 0.45 -1.08 120.40 124.89 3dex s VAL 59 Ca 0.02 -0.59 0.08 0.00 0.00 0.00 0.00 61.98 61.48 3dex s VAL 59 Cb -0.10 -2.37 -0.02 0.00 0.00 0.00 0.00 36.38 33.89 3dex s VAL 59 CO 0.03 0.52 -0.25 -0.13 0.00 0.00 0.00 175.10 175.27 3dex s ARG 60 N 0.31 2.10 -0.18 2.72 0.52 0.58 -0.49 118.95 124.51 3dex s ARG 60 Ca -0.09 -0.93 0.00 0.00 -0.52 0.00 0.00 55.73 54.19 3dex s ARG 60 Cb -0.15 -2.06 0.04 0.00 0.52 0.00 0.00 34.95 33.29 3dex s ARG 60 CO 0.05 0.56 -0.10 0.08 0.02 0.00 0.00 175.30 175.91 3dex s VAL 61 N -0.65 1.51 -1.27 3.52 1.01 0.53 -1.03 120.40 124.03 3dex s VAL 61 Ca 0.10 -0.87 -0.00 0.00 0.00 0.00 0.00 61.98 61.22 3dex s VAL 61 Cb -0.10 -1.58 0.00 0.00 0.00 0.00 0.00 36.38 34.70 3dex s VAL 61 CO -0.00 0.20 0.82 0.47 0.00 0.00 0.00 175.10 176.59 3dex n ASP 62 N 4.74 -1.54 0.00 3.32 10.43 -0.14 -1.65 116.55 131.70 3dex n ASP 62 Ca -0.14 -0.74 0.00 0.00 2.57 0.00 0.00 54.79 56.47 3dex n ASP 62 Cb 0.47 -4.47 0.00 0.00 1.84 0.00 0.00 41.12 38.97 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 -4.97 116.55 108.35 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 -0.73 -0.09 0.00 -0.02 0.00 0.00 41.12 40.95 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 -0.06 4.11 0.01 -1.24 2.02 -0.66 -5.04 118.70 117.84 3dex s GLU 64 Ca 0.00 -0.00 -0.30 0.00 0.02 0.00 0.00 54.97 54.69 3dex s GLU 64 Cb 0.00 -3.56 -0.06 0.00 0.10 0.00 0.00 34.13 30.61 3dex s GLU 64 CO 0.00 -0.04 1.55 0.54 0.02 0.00 0.00 175.26 177.33 3dex s VAL 65 N 1.34 3.44 -0.04 2.63 0.11 -1.26 -0.34 120.40 126.27 3dex s VAL 65 Ca 0.14 0.79 0.12 0.00 -2.93 0.00 0.00 61.98 60.10 3dex s VAL 65 Cb -0.14 -3.51 -0.18 0.00 -1.53 0.00 0.00 36.38 31.02 3dex s VAL 65 CO 0.07 -0.02 0.22 0.52 -3.33 0.00 0.00 175.10 172.56 3dex n VAL 66 N 4.88 0.19 -3.71 2.04 0.31 0.35 -4.92 118.33 117.47 3dex n VAL 66 Ca 0.15 -0.34 -0.12 0.00 -0.01 0.00 0.00 64.34 64.03 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 -2.73 -0.45 -0.09 3.52 -0.11 -0.97 -4.97 118.94 113.13 3dex s TRP 67 Ca -0.05 1.00 0.01 0.00 1.22 0.00 0.00 56.10 58.28 3dex s TRP 67 Cb 0.07 0.14 0.02 0.00 -1.50 0.00 0.00 33.47 32.20 3dex s TRP 67 CO 0.51 -0.28 -0.10 0.34 -4.62 0.00 0.00 176.95 172.80 3dex s ASP 68 N 1.35 2.02 0.11 5.86 -1.08 -1.26 -0.41 116.67 123.25 3dex s ASP 68 Ca -0.09 -0.31 -0.34 0.00 -0.52 0.00 0.00 52.55 51.29 3dex s ASP 68 Cb -0.10 -0.85 -0.13 0.00 -1.46 0.00 0.00 42.92 40.38 3dex s ASP 68 CO -0.10 -0.05 1.56 -0.09 0.52 0.00 0.00 175.17 177.01 3dex h ARG 69 N 7.61 -0.69 -1.92 4.34 2.43 -1.49 -0.10 114.38 124.57 3dex h ARG 69 Ca -0.31 0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.91 3dex h ARG 69 Cb 1.16 0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.86 3dex h ARG 69 CO 0.45 -0.46 0.00 2.89 -1.51 0.00 0.00 179.97 181.34 3dex n ARG 70 N -5.48 0.74 0.00 0.20 -4.01 -1.26 0.74 116.66 107.59 3dex n ARG 70 Ca -0.08 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.73 3dex n ARG 70 Cb 0.41 -1.13 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 1.52 0.00 0.00 2.89 4.07 -0.92 -4.92 120.64 123.27 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 0.37 -0.21 0.00 0.00 -0.06 0.00 0.00 31.44 31.54 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 -0.96 0.64 0.00 5.31 6.02 -0.10 -5.03 117.38 123.27 3dex n GLN 72 Ca 0.00 -0.66 0.00 0.00 -0.01 0.00 0.00 57.00 56.33 3dex n GLN 72 Cb 0.00 -0.70 0.00 0.00 1.02 0.00 0.00 30.24 30.56 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 -0.13 -0.82 3.69 1.08 0.00 0.23 -4.86 105.19 104.39 3dex n GLY 73 Ca 0.00 -1.16 -0.44 0.00 0.00 0.00 0.00 46.02 44.42 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 -0.12 2.35 -1.71 1.61 7.35 -1.26 -4.33 117.46 121.35 3dex n PHE 74 Ca 0.00 0.39 -0.37 0.00 -0.76 0.00 0.00 57.45 56.71 3dex n PHE 74 Cb 0.00 -2.49 -0.05 0.00 0.35 0.00 0.00 39.48 37.29 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 1.98 1.79 -1.68 -7.13 -0.04 -1.26 -4.93 135.00 123.73 3dex n PRO 75 Ca 0.10 -2.30 -0.46 0.00 -0.04 0.00 0.00 63.50 60.81 3dex n PRO 75 Cb 0.33 -3.34 -0.04 0.00 -0.04 0.00 0.00 33.50 30.41 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 7.61 2.43 -0.34 0.54 0.00 -1.26 -4.84 120.64 124.79 3dex n GLU 76 Ca 0.48 0.89 -0.05 0.00 0.00 0.00 0.00 57.16 58.48 3dex n GLU 76 Cb 0.43 -2.76 -0.02 0.00 0.00 0.00 0.00 31.44 29.10 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 6.29 -0.28 0.31 5.31 -0.04 -1.26 -1.63 135.00 143.70 3dex n PRO 77 Ca 0.21 1.31 -0.17 0.00 -0.04 0.00 0.00 63.50 64.80 3dex n PRO 77 Cb 0.33 -1.94 -0.09 0.00 -0.04 0.00 0.00 33.50 31.77 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 0.21 -0.35 0.52 2.02 -1.98 0.14 112.91 113.47 3dex h THR 78 Ca 0.23 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.48 3dex h THR 78 Cb 0.44 0.21 -0.08 0.00 -1.74 0.00 0.00 68.15 66.98 3dex h THR 78 CO -0.83 0.00 -0.27 0.00 0.37 0.00 0.00 175.52 174.78 3dex h ALA 79 N -0.58 -0.11 -0.08 6.16 0.00 -1.81 -0.58 119.26 122.26 3dex h ALA 79 Ca -0.06 0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 3dex h ALA 79 Cb 0.76 0.60 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 3dex h ALA 79 CO 0.03 -0.67 -0.37 -0.24 0.00 0.00 0.00 179.25 177.99 3dex h VAL 80 N -0.23 1.29 -0.07 0.00 3.04 -1.24 -2.65 116.25 116.39 3dex h VAL 80 Ca 0.17 -1.40 -0.10 0.00 -1.01 0.00 0.00 66.70 64.36 3dex h VAL 80 Cb 0.50 1.65 -0.01 0.00 -2.01 0.00 0.00 31.29 31.41 3dex h VAL 80 CO -0.48 0.41 -0.43 0.11 -1.01 0.00 0.00 177.57 176.17 3dex h LYS 81 N 0.15 0.16 -0.32 4.17 1.57 0.26 -1.83 116.57 120.74 3dex h LYS 81 Ca 0.02 -0.08 -0.16 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 0.06 0.57 -0.44 0.00 -0.57 0.00 0.00 179.45 179.06 3dex h ARG 82 N 0.14 0.86 -0.02 3.15 -0.00 -0.82 -0.86 114.38 116.83 3dex h ARG 82 Ca 0.01 -0.50 -0.09 0.00 -0.50 0.00 0.00 59.98 58.90 3dex h ARG 82 Cb 0.82 0.04 -0.01 0.00 0.00 0.00 0.00 29.97 30.82 3dex h ARG 82 CO 0.06 1.14 -0.42 -0.07 0.00 0.00 0.00 179.97 180.68 3dex h LEU 83 N 0.64 0.04 -0.16 3.04 4.07 -1.34 -2.20 115.31 119.41 3dex h LEU 83 Ca 0.03 -0.02 -0.23 0.00 0.08 0.00 0.00 57.88 57.75 3dex h LEU 83 Cb 1.04 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.78 3dex h LEU 83 CO 0.10 0.46 -0.95 0.58 -1.08 0.00 0.00 178.44 177.56 3dex h VAL 84 N 0.04 1.38 -0.45 1.22 2.07 -1.18 -3.22 116.25 116.10 3dex h VAL 84 Ca 0.00 -2.40 -0.08 0.00 0.82 0.00 0.00 66.70 65.04 3dex h VAL 84 Cb 0.76 2.39 -0.02 0.00 -1.52 0.00 0.00 31.29 32.90 3dex h VAL 84 CO 0.06 0.72 -0.06 -0.09 0.02 0.00 0.00 177.57 178.22 3dex h ARG 85 N 0.26 0.79 0.00 1.57 2.43 -0.89 -2.34 114.38 116.19 3dex h ARG 85 Ca -0.08 -0.24 0.00 0.00 -0.81 0.00 0.00 59.98 58.85 3dex h ARG 85 Cb 1.58 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 31.05 3dex h ARG 85 CO 0.17 0.83 0.00 -0.44 -1.51 0.00 0.00 179.97 179.02 3dex h ASP 86 N 0.72 0.00 1.27 -3.80 3.45 -1.42 -1.33 116.42 115.31 3dex h ASP 86 Ca 0.13 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.59 3dex h ASP 86 Cb 0.53 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.30 3dex h ASP 86 CO 0.03 0.00 -0.66 0.03 -1.57 0.00 0.00 179.24 177.07 3dex h ARG 87 N 0.00 0.00 0.00 3.56 2.47 -1.45 -3.52 114.38 115.45 3dex h ARG 87 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3dex h ARG 87 Cb 0.27 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.59 3dex h ARG 87 CO 0.00 0.00 0.00 0.28 0.56 0.00 0.00 179.97 180.81