#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c9f n ALA 3 N 1.01 3.94 -1.23 0.00 0.00 -1.26 -4.94 120.51 118.03 1c9f n ALA 3 Ca 0.18 -3.70 -0.23 0.00 0.00 0.00 0.00 53.44 49.68 1c9f n ALA 3 Cb 0.19 -0.78 -0.10 0.00 0.00 0.00 0.00 19.45 18.75 1c9f n ALA 3 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1c9f n VAL 4 N -0.18 3.57 -4.20 0.00 0.24 -1.26 -4.66 118.33 111.84 1c9f n VAL 4 Ca 0.23 -2.23 -0.35 0.00 -2.04 0.00 0.00 64.34 59.95 1c9f n VAL 4 Cb 0.71 -2.11 -0.03 0.00 -1.47 0.00 0.00 33.84 30.95 1c9f n VAL 4 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 1c9f n LEU 5 N 2.48 -1.75 -4.26 1.34 -0.00 -1.26 -1.10 117.00 112.45 1c9f n LEU 5 Ca 0.55 -1.02 -0.35 0.00 -0.00 0.00 0.00 56.01 55.19 1c9f n LEU 5 Cb 0.63 -2.09 -0.07 0.00 -0.00 0.00 0.00 43.42 41.89 1c9f n LEU 5 CO 0.39 0.31 -0.41 0.54 -0.00 0.00 0.00 177.39 178.23 1c9f n ARG 6 N -4.39 -0.77 -1.39 1.96 5.12 -1.26 -4.39 116.66 111.54 1c9f n ARG 6 Ca 0.02 0.08 0.17 0.00 -1.93 0.00 0.00 57.85 56.19 1c9f n ARG 6 Cb 0.52 -3.29 -0.08 0.00 -1.16 0.00 0.00 32.46 28.45 1c9f n ARG 6 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1c9f n GLN 7 N -4.68 -3.04 -2.36 5.56 6.02 -0.26 -4.71 117.38 113.91 1c9f n GLN 7 Ca -0.28 2.41 -0.41 0.00 -0.01 0.00 0.00 57.00 58.71 1c9f n GLN 7 Cb 0.66 -3.62 -0.03 0.00 1.02 0.00 0.00 30.24 28.27 1c9f n GLN 7 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1c9f s PRO 8 N -3.99 4.46 0.93 -1.09 0.04 -1.26 -4.77 135.00 129.32 1c9f s PRO 8 Ca 0.00 1.88 -0.14 0.00 0.04 0.00 0.00 61.00 62.77 1c9f s PRO 8 Cb 0.00 -3.26 0.21 0.00 0.04 0.00 0.00 34.50 31.49 1c9f s PRO 8 CO 0.00 -0.16 1.26 1.63 0.04 0.00 0.00 177.00 179.77 1c9f n LYS 9 N 2.93 -1.13 -3.74 4.56 4.76 -1.09 -4.77 118.16 119.69 1c9f n LYS 9 Ca 0.06 -2.10 -0.14 0.00 -2.87 0.00 0.00 58.31 53.26 1c9f n LYS 9 Cb 0.45 -1.26 -0.09 0.00 -1.84 0.00 0.00 35.03 32.30 1c9f n LYS 9 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1c9f s VAL 11 N -1.12 -0.02 -0.74 0.00 -7.23 -0.13 0.24 120.40 111.40 1c9f s VAL 11 Ca -0.12 0.06 -0.17 0.00 -1.81 0.00 0.00 61.98 59.94 1c9f s VAL 11 Cb -0.04 -0.27 0.15 0.00 0.56 0.00 0.00 36.38 36.78 1c9f s VAL 11 CO 0.04 0.02 0.80 -0.54 -0.31 0.00 0.00 175.10 175.12 1c9f s LYS 12 N 0.49 3.35 -0.93 4.82 -0.14 -0.61 -1.67 119.74 125.05 1c9f s LYS 12 Ca -0.03 -1.83 -0.24 0.00 -1.36 0.00 0.00 55.97 52.50 1c9f s LYS 12 Cb -0.05 -4.47 -0.02 0.00 -1.68 0.00 0.00 37.83 31.61 1c9f s LYS 12 CO -0.02 -1.49 1.83 -1.17 -0.76 0.00 0.00 175.35 173.73 1c9f s LEU 13 N 1.75 3.25 0.32 3.17 2.96 -0.71 -1.52 118.68 127.89 1c9f s LEU 13 Ca 0.17 -0.87 -0.13 0.00 -0.22 0.00 0.00 54.13 53.08 1c9f s LEU 13 Cb -0.16 -2.56 -0.08 0.00 0.50 0.00 0.00 46.19 43.89 1c9f s LEU 13 CO -0.03 -2.45 0.71 -0.60 -1.32 0.00 0.00 176.35 172.67 1c9f s ARG 14 N 6.51 3.93 -0.01 1.98 6.06 0.58 0.47 118.95 138.47 1c9f s ARG 14 Ca 0.64 0.57 0.02 0.00 -2.50 0.00 0.00 55.73 54.46 1c9f s ARG 14 Cb -0.05 -2.46 0.00 0.00 0.06 0.00 0.00 34.95 32.50 1c9f s ARG 14 CO -0.03 0.15 -0.05 0.00 -2.50 0.00 0.00 175.30 172.87 1c9f s ALA 15 N -2.03 0.52 -0.06 6.12 0.00 -1.02 -0.15 121.76 125.14 1c9f s ALA 15 Ca 0.53 -0.20 0.23 0.00 0.00 0.00 0.00 51.96 52.52 1c9f s ALA 15 Cb -0.10 -0.19 0.65 0.00 0.00 0.00 0.00 23.12 23.48 1c9f s ALA 15 CO 0.20 0.09 1.71 -0.07 0.00 0.00 0.00 175.76 177.69 1c9f h LEU 16 N 6.27 0.00 -0.54 0.00 3.38 -1.89 -2.84 115.31 119.69 1c9f h LEU 16 Ca -0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1c9f h LEU 16 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1c9f h LEU 16 CO 0.50 0.21 0.00 0.00 0.09 0.00 0.00 178.44 179.24 1c9f n HIS 17 N -3.25 0.15 -3.14 1.13 1.44 -1.26 -4.86 115.22 105.44 1c9f n HIS 17 Ca 0.01 -0.08 0.00 0.00 -2.01 0.00 0.00 57.72 55.65 1c9f n HIS 17 Cb 0.51 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.62 1c9f n HIS 17 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 1c9f n SER 18 N -0.17 0.84 -0.65 4.39 2.88 -1.07 -5.07 113.62 114.77 1c9f n SER 18 Ca 0.10 -0.14 0.06 0.00 -1.33 0.00 0.00 58.87 57.57 1c9f n SER 18 Cb 0.16 0.00 0.14 0.00 -0.75 0.00 0.00 64.21 63.76 1c9f n SER 18 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1c9f n ALA 19 N -3.00 2.97 -3.00 -1.46 0.00 -1.26 -4.93 120.51 109.83 1c9f n ALA 19 Ca 0.00 -2.78 0.00 0.00 0.00 0.00 0.00 53.44 50.66 1c9f n ALA 19 Cb 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 19.45 19.01 1c9f n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1c9f n LYS 21 N 0.00 0.53 -4.00 0.00 0.00 -1.26 -2.43 118.16 111.00 1c9f n LYS 21 Ca 0.00 -2.22 -0.31 0.00 -0.00 0.00 0.00 58.31 55.78 1c9f n LYS 21 Cb 0.00 1.45 -0.15 0.00 -0.00 0.00 0.00 35.03 36.33 1c9f n LYS 21 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.40 177.52 1c9f s PHE 22 N -2.68 3.60 -1.04 5.58 5.36 0.17 -4.82 117.98 124.15 1c9f s PHE 22 Ca 0.18 -2.94 -0.23 0.00 -0.96 0.00 0.00 56.93 52.98 1c9f s PHE 22 Cb 0.01 -2.84 -0.06 0.00 -0.34 0.00 0.00 43.02 39.79 1c9f s PHE 22 CO 0.13 -0.93 1.91 0.20 -1.46 0.00 0.00 175.22 175.07 1c9f s GLY 23 N 0.87 0.27 -0.12 13.12 0.00 -1.26 -1.74 107.32 118.45 1c9f s GLY 23 Ca 0.11 -1.86 -0.05 0.00 0.00 0.00 0.00 44.72 42.92 1c9f s GLY 23 CO -0.09 3.46 0.06 0.54 0.00 0.00 0.00 173.10 177.07 1c9f s VAL 24 N 10.05 4.77 0.07 1.40 0.11 -0.67 -4.90 120.40 131.22 1c9f s VAL 24 Ca 0.68 -0.06 0.09 0.00 -2.93 0.00 0.00 61.98 59.76 1c9f s VAL 24 Cb -0.04 -3.07 -0.03 0.00 -1.53 0.00 0.00 36.38 31.71 1c9f s VAL 24 CO 0.05 0.57 -0.25 0.00 -3.33 0.00 0.00 175.10 172.14 1c9f s ALA 25 N -0.54 2.14 -0.28 1.54 0.00 -1.26 -0.95 121.76 122.41 1c9f s ALA 25 Ca 0.10 -1.27 -0.19 0.00 0.00 0.00 0.00 51.96 50.61 1c9f s ALA 25 Cb -0.12 -0.41 0.10 0.00 0.00 0.00 0.00 23.12 22.69 1c9f s ALA 25 CO 0.02 0.49 0.81 0.00 0.00 0.00 0.00 175.76 177.09 1c9f s ALA 26 N -0.88 -1.97 0.53 0.00 0.00 -0.62 -4.93 121.76 113.89 1c9f s ALA 26 Ca 0.11 2.22 0.31 0.00 0.00 0.00 0.00 51.96 54.60 1c9f s ALA 26 Cb -0.10 -1.45 1.46 0.00 0.00 0.00 0.00 23.12 23.04 1c9f s ALA 26 CO 0.03 -0.34 1.87 0.00 0.00 0.00 0.00 175.76 177.31 1c9f h ARG 27 N 5.98 0.04 -3.95 0.00 2.47 -1.86 -2.87 114.38 114.18 1c9f h ARG 27 Ca -0.29 -0.00 -0.75 0.00 -1.26 0.00 0.00 59.98 57.68 1c9f h ARG 27 Cb 1.20 -0.01 -0.28 0.00 -1.65 0.00 0.00 29.97 29.23 1c9f h ARG 27 CO 0.14 0.03 -0.18 -1.54 0.56 0.00 0.00 179.97 178.98 1c9f s SER 28 N -5.52 6.08 0.52 7.04 1.04 -1.26 -4.56 113.70 117.04 1c9f s SER 28 Ca -0.05 -2.36 0.43 0.00 0.48 0.00 0.00 55.95 54.44 1c9f s SER 28 Cb 0.22 -2.09 1.62 0.00 0.10 0.00 0.00 66.02 65.88 1c9f s SER 28 CO 0.78 -0.62 1.62 0.00 0.98 0.00 0.00 173.24 176.01 1c9f h GLN 30 N 0.02 0.11 -0.09 0.00 4.15 -1.90 -1.91 115.11 115.49 1c9f h GLN 30 Ca 0.85 -0.02 -0.10 0.00 0.77 0.00 0.00 58.65 60.15 1c9f h GLN 30 Cb 3.21 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 30.87 1c9f h GLN 30 CO -0.13 0.24 -0.42 1.49 -1.93 0.00 0.00 178.83 178.08 1c9f h GLU 31 N 0.10 0.20 0.01 1.69 4.81 0.29 -2.78 114.58 118.91 1c9f h GLU 31 Ca 0.02 -0.10 -0.20 0.00 -0.13 0.00 0.00 59.36 58.96 1c9f h GLU 31 Cb 0.29 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 1c9f h GLU 31 CO 0.02 0.59 -0.92 -0.07 -0.73 0.00 0.00 179.01 177.89 1c9f h LEU 32 N 0.17 0.13 0.55 1.64 3.38 -1.34 -2.46 115.31 117.38 1c9f h LEU 32 Ca 0.01 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 1c9f h LEU 32 Cb 0.81 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.52 1c9f h LEU 32 CO 0.06 0.98 -0.26 -0.07 0.09 0.00 0.00 178.44 179.24 1c9f h LEU 33 N 0.05 -0.62 0.52 1.67 3.38 -1.24 0.15 115.31 119.21 1c9f h LEU 33 Ca -0.03 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 1c9f h LEU 33 Cb 1.59 0.16 -0.00 0.00 0.09 0.00 0.00 40.66 42.50 1c9f h LEU 33 CO 0.13 -0.26 -0.30 -0.09 0.09 0.00 0.00 178.44 178.02 1c9f h ARG 34 N -1.04 -0.73 -0.36 1.13 2.43 -1.61 -1.02 114.38 113.18 1c9f h ARG 34 Ca -0.08 0.05 0.10 0.00 -0.81 0.00 0.00 59.98 59.25 1c9f h ARG 34 Cb 0.63 0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.33 1c9f h ARG 34 CO 0.12 -0.49 0.33 0.87 -1.51 0.00 0.00 179.97 179.29 1c9f h LYS 35 N -0.76 0.00 0.09 0.20 1.57 -1.51 -1.16 116.57 115.00 1c9f h LYS 35 Ca -0.06 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1c9f h LYS 35 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.92 1c9f h LYS 35 CO 0.08 0.00 -0.04 0.78 -0.57 0.00 0.00 179.45 179.70 1c9f h GLY 36 N 0.00 -0.13 2.00 3.86 0.00 0.58 0.56 103.07 109.95 1c9f h GLY 36 Ca 0.17 0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.55 1c9f h GLY 36 CO -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 176.54 176.49 1c9f h VAL 38 N 0.00 0.97 0.00 0.00 2.07 -0.92 0.19 116.25 118.57 1c9f h VAL 38 Ca 0.00 -2.31 -0.06 0.00 0.82 0.00 0.00 66.70 65.15 1c9f h VAL 38 Cb 0.20 2.55 -0.01 0.00 -1.52 0.00 0.00 31.29 32.52 1c9f h VAL 38 CO 0.00 0.59 -0.28 -0.09 0.02 0.00 0.00 177.57 177.82 1c9f h ARG 39 N -0.53 0.00 0.00 1.57 9.65 -0.58 -3.09 114.38 121.40 1c9f h ARG 39 Ca -0.32 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.56 1c9f h ARG 39 Cb 1.60 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 30.18 1c9f h ARG 39 CO -0.04 0.28 -1.52 1.19 2.80 0.00 0.00 179.97 182.68 1c9f n PHE 40 N -3.36 0.00 -2.62 2.20 3.01 0.06 -5.06 117.46 111.69 1c9f n PHE 40 Ca 0.01 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.45 1c9f n PHE 40 Cb 0.49 -0.28 0.00 0.00 -0.01 0.00 0.00 39.48 39.68 1c9f n PHE 40 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 1c9f n GLN 41 N -1.91 -3.03 -3.67 -1.08 3.00 0.60 -5.02 117.38 106.28 1c9f n GLN 41 Ca -0.01 2.49 -0.30 0.00 -0.01 0.00 0.00 57.00 59.18 1c9f n GLN 41 Cb 0.42 -5.03 -0.14 0.00 0.00 0.00 0.00 30.24 25.49 1c9f n GLN 41 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 1c9f s LEU 42 N -1.63 1.89 0.00 1.08 1.98 -0.72 -5.00 118.68 116.27 1c9f s LEU 42 Ca 0.04 -1.78 0.00 0.00 -2.89 0.00 0.00 54.13 49.49 1c9f s LEU 42 Cb -0.01 -0.75 0.00 0.00 0.66 0.00 0.00 46.19 46.09 1c9f s LEU 42 CO 0.71 -0.39 0.00 -0.81 -1.89 0.00 0.00 176.35 173.97 1c9f n PRO 43 N 4.64 0.57 -2.26 0.98 -0.04 -1.26 -4.97 135.00 132.65 1c9f n PRO 43 Ca 0.00 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.22 1c9f n PRO 43 Cb 0.40 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.88 1c9f n PRO 43 CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 1c9f n MET 44 N -0.36 3.40 0.00 0.54 1.56 -1.26 -4.68 117.12 116.32 1c9f n MET 44 Ca 0.00 -4.26 0.13 0.00 -0.27 0.00 0.00 57.70 53.30 1c9f n MET 44 Cb 0.00 -2.21 0.70 0.00 2.15 0.00 0.00 33.22 33.86 1c9f n MET 44 CO 0.00 0.00 0.00 -0.35 -0.73 0.00 0.00 175.97 174.89 1c9f n PRO 45 N -0.59 0.50 0.00 2.12 -0.04 -1.26 -4.75 135.00 130.98 1c9f n PRO 45 Ca 0.39 0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.88 1c9f n PRO 45 Cb 0.83 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.79 1c9f n PRO 45 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1c9f n GLY 46 N 0.87 0.22 0.00 0.55 0.00 -1.26 -4.99 105.19 100.58 1c9f n GLY 46 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1c9f n GLY 46 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1c9f n SER 47 N 0.00 -0.14 0.00 1.61 7.64 -1.26 -4.27 113.62 117.20 1c9f n SER 47 Ca 0.00 -0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.86 1c9f n SER 47 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1c9f n SER 47 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1c9f n ARG 48 N -0.16 0.00 -3.96 1.43 1.74 0.58 -4.80 116.66 111.49 1c9f n ARG 48 Ca 0.00 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.74 1c9f n ARG 48 Cb 0.00 0.00 -0.14 0.00 -1.02 0.00 0.00 32.46 31.30 1c9f n ARG 48 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1c9f s LEU 49 N 0.00 3.02 0.00 0.55 1.43 -0.15 -0.54 118.68 122.99 1c9f s LEU 49 Ca 0.00 -0.74 0.02 0.00 -1.03 0.00 0.00 54.13 52.38 1c9f s LEU 49 Cb 0.00 -1.66 0.13 0.00 0.03 0.00 0.00 46.19 44.68 1c9f s LEU 49 CO 0.00 -0.09 0.90 0.00 0.23 0.00 0.00 176.35 177.39 1c9f s LEU 51 N 0.00 3.22 0.00 0.00 1.02 0.58 -0.41 118.68 123.10 1c9f s LEU 51 Ca 0.62 -0.24 0.13 0.00 0.02 0.00 0.00 54.13 54.66 1c9f s LEU 51 Cb -0.04 -1.83 0.61 0.00 0.02 0.00 0.00 46.19 44.95 1c9f s LEU 51 CO 0.40 0.03 1.37 0.00 0.02 0.00 0.00 176.35 178.17 1c9f n TYR 52 N 4.47 0.00 -0.11 0.29 9.36 -0.70 -1.53 117.16 128.94 1c9f n TYR 52 Ca -0.17 0.00 -0.08 0.00 3.32 0.00 0.00 57.90 60.96 1c9f n TYR 52 Cb 0.52 -0.38 -0.01 0.00 -0.63 0.00 0.00 39.34 38.84 1c9f n TYR 52 CO 0.00 0.00 0.00 1.49 0.22 0.00 0.00 176.86 178.57 1c9f h GLU 53 N 0.00 0.48 -0.03 2.98 4.81 -1.93 -3.39 114.58 117.50 1c9f h GLU 53 Ca 0.00 -0.03 -0.16 0.00 -0.13 0.00 0.00 59.36 59.04 1c9f h GLU 53 Cb 0.17 -0.11 -0.19 0.00 0.63 0.00 0.00 28.75 29.24 1c9f h GLU 53 CO 0.00 0.33 -0.46 -0.25 -0.73 0.00 0.00 179.01 177.90 1c9f n ASP 54 N -4.83 -0.63 -1.58 1.04 8.00 -1.18 -4.57 116.55 112.81 1c9f n ASP 54 Ca -0.00 -2.06 -0.12 0.00 0.71 0.00 0.00 54.79 53.32 1c9f n ASP 54 Cb 0.03 0.25 0.01 0.00 -0.02 0.00 0.00 41.12 41.39 1c9f n ASP 54 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1c9f n GLY 55 N -0.38 -0.02 3.81 0.44 0.00 -0.58 -4.35 105.19 104.12 1c9f n GLY 55 Ca -0.18 -0.33 -0.30 0.00 0.00 0.00 0.00 46.02 45.21 1c9f n GLY 55 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1c9f s THR 56 N -2.77 2.90 -0.11 2.61 -4.23 -0.89 -4.77 115.64 108.38 1c9f s THR 56 Ca 0.11 0.29 0.03 0.00 -1.18 0.00 0.00 61.69 60.94 1c9f s THR 56 Cb -0.05 -3.07 0.00 0.00 1.34 0.00 0.00 72.50 70.73 1c9f s THR 56 CO 0.13 -0.38 -0.23 -1.83 -0.54 0.00 0.00 174.62 171.77 1c9f s GLU 57 N -5.21 3.07 0.37 3.99 4.04 -1.26 -0.31 118.70 123.39 1c9f s GLU 57 Ca 0.61 -0.86 -0.04 0.00 0.04 0.00 0.00 54.97 54.73 1c9f s GLU 57 Cb -0.14 -2.37 0.02 0.00 0.02 0.00 0.00 34.13 31.66 1c9f s GLU 57 CO 0.54 0.12 0.54 0.28 -1.84 0.00 0.00 175.26 174.90 1c9f n VAL 58 N 3.69 0.00 -4.25 1.83 0.31 0.28 -4.88 118.33 115.31 1c9f n VAL 58 Ca -0.19 -1.73 -0.14 0.00 -0.01 0.00 0.00 64.34 62.27 1c9f n VAL 58 Cb 0.53 1.11 -0.10 0.00 -0.91 0.00 0.00 33.84 34.47 1c9f n VAL 58 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1c9f s THR 59 N -2.73 1.19 -2.00 2.52 -4.23 -1.23 -0.98 115.64 108.18 1c9f s THR 59 Ca 0.28 -2.05 0.21 0.00 -1.18 0.00 0.00 61.69 58.95 1c9f s THR 59 Cb -0.02 -1.84 0.61 0.00 1.34 0.00 0.00 72.50 72.59 1c9f s THR 59 CO 0.20 -0.73 1.66 -0.90 -0.54 0.00 0.00 174.62 174.31 1c9f n ASP 60 N -0.18 0.00 -0.20 3.99 5.68 -1.26 -2.51 116.55 122.07 1c9f n ASP 60 Ca -0.10 -0.69 0.03 0.00 -0.50 0.00 0.00 54.79 53.52 1c9f n ASP 60 Cb 0.60 0.00 0.02 0.00 -1.14 0.00 0.00 41.12 40.60 1c9f n ASP 60 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1c9f n ASP 61 N -0.99 1.33 -0.07 -1.12 2.03 -1.26 -4.66 116.55 111.81 1c9f n ASP 61 Ca 0.16 -1.16 -0.09 0.00 0.52 0.00 0.00 54.79 54.22 1c9f n ASP 61 Cb 0.07 0.13 -0.08 0.00 -0.72 0.00 0.00 41.12 40.52 1c9f n ASP 61 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1c9f n PHE 63 N -2.75 0.51 0.08 0.00 3.72 -1.16 -4.72 117.46 113.14 1c9f n PHE 63 Ca -0.24 0.35 -0.11 0.00 -0.05 0.00 0.00 57.45 57.39 1c9f n PHE 63 Cb 0.83 -2.20 -0.06 0.00 -0.94 0.00 0.00 39.48 37.10 1c9f n PHE 63 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1c9f h PRO 64 N 11.70 0.21 0.00 -1.08 0.13 -1.94 -3.45 132.00 137.57 1c9f h PRO 64 Ca -0.04 -0.28 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1c9f h PRO 64 Cb 1.27 0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.49 1c9f h PRO 64 CO 1.38 1.05 0.00 0.41 -0.23 0.00 0.00 178.00 180.61 1c9f n GLY 65 N 1.13 -1.87 3.30 1.56 0.00 -1.26 -4.79 105.19 103.25 1c9f n GLY 65 Ca -0.05 0.84 -0.33 0.00 0.00 0.00 0.00 46.02 46.48 1c9f n GLY 65 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1c9f n LEU 66 N 0.00 -1.76 -4.57 0.99 4.32 -1.26 -4.95 117.00 109.76 1c9f n LEU 66 Ca 0.00 0.15 -0.30 0.00 -0.02 0.00 0.00 56.01 55.84 1c9f n LEU 66 Cb 0.00 -1.03 0.25 0.00 -1.62 0.00 0.00 43.42 41.02 1c9f n LEU 66 CO 0.00 -3.70 0.61 -2.16 -1.22 0.00 0.00 177.39 170.93 1c9f s PRO 67 N -3.27 -1.46 0.63 3.23 0.04 -1.26 -4.84 135.00 128.07 1c9f s PRO 67 Ca 0.53 -0.12 -0.18 0.00 0.04 0.00 0.00 61.00 61.27 1c9f s PRO 67 Cb -0.16 -1.57 -0.03 0.00 0.04 0.00 0.00 34.50 32.78 1c9f s PRO 67 CO 0.69 -3.86 1.14 -1.71 0.04 0.00 0.00 177.00 173.30 1c9f n ASN 68 N -4.86 1.44 -3.44 6.66 5.15 -1.26 -1.91 115.26 117.04 1c9f n ASN 68 Ca 0.14 0.81 -0.24 0.00 -0.60 0.00 0.00 54.58 54.69 1c9f n ASN 68 Cb 0.60 -1.48 -0.01 0.00 -0.53 0.00 0.00 39.78 38.36 1c9f n ASN 68 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 1c9f n ASP 69 N -1.42 -3.58 -4.53 1.20 9.92 0.64 -4.70 116.55 114.08 1c9f n ASP 69 Ca 0.15 -0.44 -0.34 0.00 -0.53 0.00 0.00 54.79 53.63 1c9f n ASP 69 Cb 0.48 -2.97 -0.10 0.00 -0.64 0.00 0.00 41.12 37.89 1c9f n ASP 69 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1c9f n ALA 70 N -3.58 0.58 -2.18 2.24 0.00 -0.79 -3.93 120.51 112.85 1c9f n ALA 70 Ca -0.00 -0.73 -0.37 0.00 0.00 0.00 0.00 53.44 52.34 1c9f n ALA 70 Cb 0.53 -2.78 -0.03 0.00 0.00 0.00 0.00 19.45 17.17 1c9f n ALA 70 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1c9f s GLU 71 N 8.50 2.80 0.40 0.00 0.41 -1.26 -1.57 118.70 127.98 1c9f s GLU 71 Ca 1.16 0.10 0.03 0.00 -0.41 0.00 0.00 54.97 55.85 1c9f s GLU 71 Cb -0.66 -4.58 -0.01 0.00 -1.78 0.00 0.00 34.13 27.11 1c9f s GLU 71 CO 0.36 -2.72 0.58 -0.51 -0.49 0.00 0.00 175.26 172.47 1c9f s LEU 72 N 8.33 3.80 -0.09 1.80 1.02 -0.58 -1.71 118.68 131.25 1c9f s LEU 72 Ca 0.60 0.06 -0.01 0.00 0.02 0.00 0.00 54.13 54.80 1c9f s LEU 72 Cb -0.09 -2.97 0.03 0.00 0.02 0.00 0.00 46.19 43.18 1c9f s LEU 72 CO 0.12 -0.58 0.00 -0.22 0.02 0.00 0.00 176.35 175.70 1c9f s LEU 73 N -4.38 0.70 0.06 1.79 2.96 0.46 -0.31 118.68 119.97 1c9f s LEU 73 Ca 0.47 -0.20 -0.31 0.00 -0.22 0.00 0.00 54.13 53.87 1c9f s LEU 73 Cb -0.10 -0.49 -0.07 0.00 0.50 0.00 0.00 46.19 46.03 1c9f s LEU 73 CO 0.35 -0.20 1.42 -0.22 -1.32 0.00 0.00 176.35 176.37 1c9f s LEU 74 N 1.94 4.35 0.05 -0.68 2.96 0.79 -1.54 118.68 126.55 1c9f s LEU 74 Ca 0.04 2.25 -0.01 0.00 -0.22 0.00 0.00 54.13 56.18 1c9f s LEU 74 Cb -0.13 -3.57 -0.03 0.00 0.50 0.00 0.00 46.19 42.95 1c9f s LEU 74 CO -0.06 -0.70 -0.02 -0.22 -1.32 0.00 0.00 176.35 174.04 1c9f s LEU 75 N 1.80 2.38 0.27 -0.68 0.20 0.29 -3.22 118.68 119.73 1c9f s LEU 75 Ca 0.65 -0.90 0.01 0.00 0.69 0.00 0.00 54.13 54.58 1c9f s LEU 75 Cb -0.35 0.24 -0.03 0.00 -0.43 0.00 0.00 46.19 45.62 1c9f s LEU 75 CO 0.29 -0.56 0.25 0.42 -0.29 0.00 0.00 176.35 176.46 1c9f s THR 76 N -3.53 0.00 0.49 3.68 -4.23 -1.25 -0.31 115.64 110.49 1c9f s THR 76 Ca 0.03 -1.90 0.27 0.00 -1.18 0.00 0.00 61.69 58.91 1c9f s THR 76 Cb 0.05 -2.49 0.45 0.00 1.34 0.00 0.00 72.50 71.85 1c9f s THR 76 CO -0.09 0.00 1.86 0.00 -0.54 0.00 0.00 174.62 175.86 1c9f h ALA 77 N 2.36 2.63 -0.38 3.99 0.00 -1.87 1.00 119.26 126.98 1c9f h ALA 77 Ca -0.30 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.50 1c9f h ALA 77 Cb 1.24 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 19.02 1c9f h ALA 77 CO 0.44 -0.91 0.12 0.41 0.00 0.00 0.00 179.25 179.31 1c9f n GLY 78 N -1.64 2.64 3.40 0.00 0.00 -1.26 -4.85 105.19 103.47 1c9f n GLY 78 Ca 0.20 -0.51 -0.16 0.00 0.00 0.00 0.00 46.02 45.55 1c9f n GLY 78 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1c9f s GLU 79 N -1.86 0.86 0.06 1.61 2.02 0.34 -5.17 118.70 116.57 1c9f s GLU 79 Ca 0.29 0.13 -0.06 0.00 0.02 0.00 0.00 54.97 55.35 1c9f s GLU 79 Cb 0.23 0.40 -0.01 0.00 0.10 0.00 0.00 34.13 34.84 1c9f s GLU 79 CO 0.07 -0.25 0.11 0.99 0.02 0.00 0.00 175.26 176.21 1c9f s THR 80 N -1.10 0.16 -0.13 3.63 2.01 -1.26 -3.94 115.64 115.02 1c9f s THR 80 Ca -0.11 -1.33 0.01 0.00 0.31 0.00 0.00 61.69 60.57 1c9f s THR 80 Cb -0.02 -1.27 0.02 0.00 0.01 0.00 0.00 72.50 71.23 1c9f s THR 80 CO 0.07 -0.73 -0.14 0.86 -0.69 0.00 0.00 174.62 173.99 1c9f s TRP 81 N -3.54 1.99 0.00 4.92 -0.00 -1.26 -5.07 118.94 115.98 1c9f s TRP 81 Ca 0.03 -1.02 0.00 0.00 -0.00 0.00 0.00 56.10 55.10 1c9f s TRP 81 Cb 0.04 -1.47 0.00 0.00 -0.00 0.00 0.00 33.47 32.04 1c9f s TRP 81 CO -0.09 -0.56 0.23 0.72 -0.00 0.00 0.00 176.95 177.25 1c9f n HIS 82 N 4.52 0.00 -3.73 5.86 8.25 -1.26 -4.93 115.22 123.93 1c9f n HIS 82 Ca -0.17 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.30 1c9f n HIS 82 Cb 0.51 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.62 1c9f n HIS 82 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1c9f s GLY 83 N -0.32 -0.32 -0.77 -1.41 0.00 -1.26 -4.50 107.32 98.74 1c9f s GLY 83 Ca 0.00 0.49 0.03 0.00 0.00 0.00 0.00 44.72 45.23 1c9f s GLY 83 CO 0.00 1.72 1.05 2.98 0.00 0.00 0.00 173.10 178.84 1c9f n TYR 84 N -0.61 3.32 -1.90 1.90 9.36 -1.26 -4.74 117.16 123.22 1c9f n TYR 84 Ca -0.05 -3.62 -0.29 0.00 3.32 0.00 0.00 57.90 57.25 1c9f n TYR 84 Cb 0.62 -0.76 0.09 0.00 -0.63 0.00 0.00 39.34 38.65 1c9f n TYR 84 CO 0.00 0.00 0.00 0.14 0.22 0.00 0.00 176.86 177.22 1c9f s VAL 85 N -3.05 2.07 -0.44 2.97 -7.23 -1.26 -4.77 120.40 108.69 1c9f s VAL 85 Ca 0.39 0.02 0.07 0.00 -1.81 0.00 0.00 61.98 60.66 1c9f s VAL 85 Cb 0.15 -3.02 0.27 0.00 0.56 0.00 0.00 36.38 34.33 1c9f s VAL 85 CO -0.01 -0.03 0.80 -1.54 -0.31 0.00 0.00 175.10 174.00 1c9f n SER 86 N -3.30 -1.52 0.00 4.85 3.41 -1.26 -5.19 113.62 110.61 1c9f n SER 86 Ca 0.08 -3.15 0.00 0.00 -0.26 0.00 0.00 58.87 55.54 1c9f n SER 86 Cb 0.61 0.86 0.00 0.00 -0.26 0.00 0.00 64.21 65.41 1c9f n SER 86 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21