#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 -1.03 3.99 -2.53 0.00 0.00 -1.26 -5.04 120.51 114.64 1c9f n ALA 3 Ca 0.11 -4.71 -0.42 0.00 0.00 0.00 0.00 53.44 48.42 1c9f n ALA 3 Cb 0.43 -0.90 -0.08 0.00 0.00 0.00 0.00 19.45 18.91 1c9f n ALA 3 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1c9f s VAL 4 N -2.41 4.97 -0.30 0.00 1.01 -1.26 -5.00 120.40 117.40 1c9f s VAL 4 Ca 0.40 0.11 -0.11 0.00 0.00 0.00 0.00 61.98 62.37 1c9f s VAL 4 Cb 0.15 -4.06 0.14 0.00 0.00 0.00 0.00 36.38 32.61 1c9f s VAL 4 CO -0.02 -0.39 0.73 -0.76 0.00 0.00 0.00 175.10 174.66 1c9f s LEU 5 N 2.48 -1.02 -0.50 3.92 1.43 -1.26 -5.03 118.68 118.70 1c9f s LEU 5 Ca 0.18 1.37 -0.02 0.00 -1.03 0.00 0.00 54.13 54.64 1c9f s LEU 5 Cb -0.15 2.15 0.30 0.00 0.03 0.00 0.00 46.19 48.52 1c9f s LEU 5 CO 0.15 -0.19 2.09 0.54 0.23 0.00 0.00 176.35 179.17 1c9f n ARG 6 N 5.34 2.27 0.00 1.70 5.12 -1.26 -4.79 116.66 125.03 1c9f n ARG 6 Ca -0.11 -2.44 0.00 0.00 -1.93 0.00 0.00 57.85 53.37 1c9f n ARG 6 Cb 0.50 -1.97 0.00 0.00 -1.16 0.00 0.00 32.46 29.83 1c9f n ARG 6 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1c9f n GLN 7 N -0.17 0.00 -2.41 5.56 10.64 -1.26 -5.14 117.38 124.59 1c9f n GLN 7 Ca 0.46 0.00 -0.41 0.00 -1.83 0.00 0.00 57.00 55.23 1c9f n GLN 7 Cb 0.59 0.00 -0.04 0.00 -0.86 0.00 0.00 30.24 29.93 1c9f n GLN 7 CO 0.00 0.00 0.00 -1.25 -1.83 0.00 0.00 177.06 173.98 1c9f s PRO 8 N 0.00 4.57 0.02 2.61 0.04 -1.26 -4.81 135.00 136.17 1c9f s PRO 8 Ca 0.00 1.86 -0.17 0.00 0.04 0.00 0.00 61.00 62.73 1c9f s PRO 8 Cb 0.00 -3.19 -0.06 0.00 0.04 0.00 0.00 34.50 31.29 1c9f s PRO 8 CO 0.00 0.09 0.50 0.21 0.04 0.00 0.00 177.00 177.84 1c9f s LYS 9 N -1.12 4.10 0.10 4.56 2.36 -0.39 -4.80 119.74 124.55 1c9f s LYS 9 Ca 0.47 0.58 0.08 0.00 -2.55 0.00 0.00 55.97 54.55 1c9f s LYS 9 Cb -0.33 -3.25 -0.04 0.00 -1.05 0.00 0.00 37.83 33.16 1c9f s LYS 9 CO 0.41 0.61 -0.15 0.00 1.55 0.00 0.00 175.35 177.76 1c9f s VAL 11 N -1.14 0.06 -0.69 0.00 -7.23 -0.54 0.24 120.40 111.10 1c9f s VAL 11 Ca 0.19 -0.52 -0.10 0.00 -1.81 0.00 0.00 61.98 59.74 1c9f s VAL 11 Cb -0.11 -0.32 0.18 0.00 0.56 0.00 0.00 36.38 36.70 1c9f s VAL 11 CO 0.11 -0.29 0.58 -0.54 -0.31 0.00 0.00 175.10 174.65 1c9f s LYS 12 N -0.95 3.06 -0.72 4.82 -0.14 -0.90 -1.17 119.74 123.74 1c9f s LYS 12 Ca -0.10 -2.35 -0.26 0.00 -1.36 0.00 0.00 55.97 51.90 1c9f s LYS 12 Cb -0.06 -4.12 -0.00 0.00 -1.68 0.00 0.00 37.83 31.97 1c9f s LYS 12 CO 0.01 -1.24 1.68 -1.17 -0.76 0.00 0.00 175.35 173.86 1c9f s LEU 13 N 0.34 3.25 0.26 3.17 2.96 -1.00 -1.94 118.68 125.72 1c9f s LEU 13 Ca 0.15 -0.16 -0.02 0.00 -0.22 0.00 0.00 54.13 53.88 1c9f s LEU 13 Cb -0.17 -2.55 -0.04 0.00 0.50 0.00 0.00 46.19 43.93 1c9f s LEU 13 CO -0.05 -2.21 0.47 -0.60 -1.32 0.00 0.00 176.35 172.64 1c9f s ARG 14 N 6.51 3.55 -0.04 1.98 6.06 0.58 0.23 118.95 137.82 1c9f s ARG 14 Ca 0.57 -0.24 -0.02 0.00 -2.50 0.00 0.00 55.73 53.54 1c9f s ARG 14 Cb -0.09 -2.74 0.03 0.00 0.06 0.00 0.00 34.95 32.20 1c9f s ARG 14 CO 0.14 0.29 0.05 0.00 -2.50 0.00 0.00 175.30 173.28 1c9f s ALA 15 N -2.03 0.22 0.38 6.12 0.00 -1.03 -0.34 121.76 125.08 1c9f s ALA 15 Ca 0.40 0.20 0.36 0.00 0.00 0.00 0.00 51.96 52.92 1c9f s ALA 15 Cb -0.11 -0.57 1.75 0.00 0.00 0.00 0.00 23.12 24.20 1c9f s ALA 15 CO 0.31 -0.43 2.14 -0.07 0.00 0.00 0.00 175.76 177.70 1c9f h LEU 16 N 8.27 0.00 0.00 0.00 3.38 -1.88 -1.07 115.31 124.01 1c9f h LEU 16 Ca -0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1c9f h LEU 16 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1c9f h LEU 16 CO 0.20 0.04 0.00 1.57 0.09 0.00 0.00 178.44 180.34 1c9f n HIS 17 N -3.24 0.00 -3.23 1.13 -0.00 -1.26 -4.83 115.22 103.79 1c9f n HIS 17 Ca -0.01 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.17 1c9f n HIS 17 Cb 0.21 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.08 1c9f n HIS 17 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1c9f n SER 18 N -0.96 0.85 -0.61 0.26 2.88 -0.40 -5.06 113.62 110.57 1c9f n SER 18 Ca 0.21 -0.23 0.06 0.00 -1.33 0.00 0.00 58.87 57.59 1c9f n SER 18 Cb 0.10 0.00 0.17 0.00 -0.75 0.00 0.00 64.21 63.73 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 3.21 -3.00 -1.46 0.00 -1.26 -4.92 120.51 110.08 1c9f n ALA 19 Ca 0.00 -3.00 0.00 0.00 0.00 0.00 0.00 53.44 50.44 1c9f n ALA 19 Cb 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 19.45 19.04 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 0.08 -3.54 0.00 0.00 -1.26 -2.48 118.16 110.96 1c9f n LYS 21 Ca 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 58.31 58.03 1c9f n LYS 21 Cb 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 35.03 34.91 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 -1.87 1.38 -0.71 5.58 5.36 0.62 -4.88 117.98 123.45 1c9f s PHE 22 Ca 0.00 -2.19 -0.26 0.00 -0.96 0.00 0.00 56.93 53.53 1c9f s PHE 22 Cb 0.00 -1.30 -0.07 0.00 -0.34 0.00 0.00 43.02 41.31 1c9f s PHE 22 CO 0.00 -0.79 2.17 0.20 -1.46 0.00 0.00 175.22 175.33 1c9f s GLY 23 N 0.36 -0.25 -0.06 13.12 0.00 -1.26 -2.37 107.32 116.87 1c9f s GLY 23 Ca 0.23 -0.77 0.01 0.00 0.00 0.00 0.00 44.72 44.19 1c9f s GLY 23 CO -0.07 3.84 -0.07 0.54 0.00 0.00 0.00 173.10 177.33 1c9f s VAL 24 N 11.70 3.68 0.30 1.40 0.11 -0.32 -4.91 120.40 132.37 1c9f s VAL 24 Ca 0.82 -0.52 0.08 0.00 -2.93 0.00 0.00 61.98 59.44 1c9f s VAL 24 Cb -0.12 -2.51 -0.04 0.00 -1.53 0.00 0.00 36.38 32.18 1c9f s VAL 24 CO 0.12 0.58 0.14 0.00 -3.33 0.00 0.00 175.10 172.61 1c9f s ALA 25 N -0.83 3.49 0.00 1.54 0.00 -1.26 -1.47 121.76 123.22 1c9f s ALA 25 Ca 0.13 -1.65 0.00 0.00 0.00 0.00 0.00 51.96 50.44 1c9f s ALA 25 Cb -0.11 -0.96 0.00 0.00 0.00 0.00 0.00 23.12 22.05 1c9f s ALA 25 CO 0.02 0.15 0.00 0.00 0.00 0.00 0.00 175.76 175.93 1c9f n ALA 26 N -1.12 0.00 0.37 0.00 0.00 0.50 -4.88 120.51 115.37 1c9f n ALA 26 Ca -0.05 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.21 1c9f n ALA 26 Cb 0.60 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.95 1c9f n ALA 26 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1c9f h ARG 27 N 0.00 -0.99 -6.30 0.00 9.65 -1.87 -1.02 114.38 113.84 1c9f h ARG 27 Ca 0.00 0.07 -0.55 0.00 -1.10 0.00 0.00 59.98 58.40 1c9f h ARG 27 Cb 0.00 0.22 -0.08 0.00 -1.39 0.00 0.00 29.97 28.72 1c9f h ARG 27 CO 0.00 -0.66 1.09 0.45 2.80 0.00 0.00 179.97 183.65 1c9f s SER 28 N -4.32 6.20 0.58 -3.80 0.15 -1.26 -4.19 113.70 107.05 1c9f s SER 28 Ca -0.18 -0.58 0.40 0.00 0.70 0.00 0.00 55.95 56.28 1c9f s SER 28 Cb 0.04 -2.56 1.43 0.00 -1.71 0.00 0.00 66.02 63.22 1c9f s SER 28 CO 0.61 -1.79 1.53 0.00 1.20 0.00 0.00 173.24 174.80 1c9f h GLN 30 N 0.00 0.00 -0.17 0.00 4.20 -1.88 -1.18 115.11 116.09 1c9f h GLN 30 Ca 0.70 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 59.23 1c9f h GLN 30 Cb 3.16 0.00 0.01 0.00 0.30 0.00 0.00 27.48 30.94 1c9f h GLN 30 CO -0.01 0.00 -0.61 1.49 -0.67 0.00 0.00 178.83 179.03 1c9f h GLU 31 N 0.00 0.71 -0.73 1.46 4.57 0.15 -2.52 114.58 118.23 1c9f h GLU 31 Ca 0.10 -0.54 0.04 0.00 -1.18 0.00 0.00 59.36 57.78 1c9f h GLU 31 Cb 0.40 0.10 -0.05 0.00 -0.16 0.00 0.00 28.75 29.05 1c9f h GLU 31 CO -0.00 1.16 0.45 -0.07 -1.18 0.00 0.00 179.01 179.37 1c9f h LEU 32 N 0.41 0.72 0.22 1.64 3.38 -1.29 -1.17 115.31 119.23 1c9f h LEU 32 Ca -0.03 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1c9f h LEU 32 Cb 1.24 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.85 1c9f h LEU 32 CO 0.13 0.49 -0.11 -0.07 0.09 0.00 0.00 178.44 178.97 1c9f h LEU 33 N 0.86 -0.25 -0.02 1.67 3.38 -1.43 -0.44 115.31 119.08 1c9f h LEU 33 Ca 0.30 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1c9f h LEU 33 Cb 0.07 0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 1c9f h LEU 33 CO -0.13 -0.14 -0.02 -0.09 0.09 0.00 0.00 178.44 178.16 1c9f h ARG 34 N -0.38 -0.01 -0.62 1.13 2.43 -1.43 1.45 114.38 116.96 1c9f h ARG 34 Ca -0.03 0.00 0.18 0.00 -0.81 0.00 0.00 59.98 59.32 1c9f h ARG 34 Cb 0.23 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 1c9f h ARG 34 CO 0.05 -0.00 0.75 0.87 -1.51 0.00 0.00 179.97 180.13 1c9f h LYS 35 N -0.01 0.00 0.10 0.20 1.57 -1.33 0.19 116.57 117.30 1c9f h LYS 35 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1c9f h LYS 35 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1c9f h LYS 35 CO -0.02 0.00 -0.05 0.78 -0.57 0.00 0.00 179.45 179.59 1c9f h GLY 36 N 0.00 -0.15 2.00 3.86 0.00 0.37 -1.12 103.07 108.03 1c9f h GLY 36 Ca 0.29 0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.68 1c9f h GLY 36 CO -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 176.54 176.48 1c9f h VAL 38 N 0.00 0.41 0.00 0.00 2.07 -1.04 0.18 116.25 117.87 1c9f h VAL 38 Ca 0.00 -1.38 -0.01 0.00 0.82 0.00 0.00 66.70 66.12 1c9f h VAL 38 Cb 0.23 0.85 -0.00 0.00 -1.52 0.00 0.00 31.29 30.85 1c9f h VAL 38 CO 0.00 0.14 -0.07 0.03 0.02 0.00 0.00 177.57 177.69 1c9f h ARG 39 N -1.00 0.00 0.00 1.57 2.47 -1.16 -2.23 114.38 114.03 1c9f h ARG 39 Ca -0.05 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.67 1c9f h ARG 39 Cb 0.53 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.85 1c9f h ARG 39 CO -0.03 0.07 -1.20 1.19 0.56 0.00 0.00 179.97 180.55 1c9f n PHE 40 N -3.46 0.00 -2.83 3.04 3.01 -0.70 -5.05 117.46 111.47 1c9f n PHE 40 Ca -0.02 0.00 -0.02 0.00 1.01 0.00 0.00 57.45 58.42 1c9f n PHE 40 Cb 0.20 -0.15 0.00 0.00 -0.01 0.00 0.00 39.48 39.52 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 -1.68 -2.86 -3.83 -1.08 1.13 0.57 -4.98 117.38 104.64 1c9f n GLN 41 Ca 0.01 2.39 -0.30 0.00 -1.94 0.00 0.00 57.00 57.16 1c9f n GLN 41 Cb 0.35 -4.69 -0.14 0.00 0.11 0.00 0.00 30.24 25.87 1c9f n GLN 41 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 1c9f s LEU 42 N -1.69 3.42 0.00 1.08 1.98 -0.76 -5.00 118.68 117.72 1c9f s LEU 42 Ca 0.04 -2.49 0.00 0.00 -2.89 0.00 0.00 54.13 48.80 1c9f s LEU 42 Cb -0.01 -1.28 0.00 0.00 0.66 0.00 0.00 46.19 45.56 1c9f s LEU 42 CO 0.67 -0.30 0.00 -0.81 -1.89 0.00 0.00 176.35 174.02 1c9f n PRO 43 N 3.77 0.78 -2.22 0.98 -0.04 -1.26 -4.99 135.00 132.02 1c9f n PRO 43 Ca 0.05 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.27 1c9f n PRO 43 Cb 0.36 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.84 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 -0.18 3.47 0.00 0.54 1.56 -1.26 -4.70 117.12 116.55 1c9f n MET 44 Ca 0.00 -4.27 0.13 0.00 -0.27 0.00 0.00 57.70 53.29 1c9f n MET 44 Cb 0.00 -2.24 0.74 0.00 2.15 0.00 0.00 33.22 33.88 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 -0.61 0.65 0.00 2.12 -0.04 -1.26 -4.76 135.00 131.09 1c9f n PRO 45 Ca 0.41 0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.89 1c9f n PRO 45 Cb 0.85 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.81 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 0.79 1.01 0.00 0.55 0.00 -1.26 -4.95 105.19 101.34 1c9f n GLY 46 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1c9f n GLY 46 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1c9f n SER 47 N 0.00 -0.25 0.00 1.61 3.41 -1.26 -4.17 113.62 112.96 1c9f n SER 47 Ca 0.00 -0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 1c9f n SER 47 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1c9f n SER 47 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1c9f n ARG 48 N -0.25 0.00 -4.25 4.33 1.74 0.73 -4.73 116.66 114.23 1c9f n ARG 48 Ca 0.00 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 56.83 1c9f n ARG 48 Cb 0.00 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 31.36 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 3.06 -0.07 0.55 1.02 -0.45 -0.74 118.68 122.05 1c9f s LEU 49 Ca 0.00 -1.06 -0.19 0.00 0.02 0.00 0.00 54.13 52.89 1c9f s LEU 49 Cb 0.00 -1.37 0.04 0.00 0.02 0.00 0.00 46.19 44.88 1c9f s LEU 49 CO 0.00 -0.42 0.45 0.00 0.02 0.00 0.00 176.35 176.39 1c9f s LEU 51 N -0.84 4.34 0.00 0.00 1.02 0.51 -1.03 118.68 122.68 1c9f s LEU 51 Ca -0.09 2.22 0.22 0.00 0.02 0.00 0.00 54.13 56.50 1c9f s LEU 51 Cb -0.03 -3.57 1.30 0.00 0.02 0.00 0.00 46.19 43.91 1c9f s LEU 51 CO 0.05 -0.70 1.69 0.00 0.02 0.00 0.00 176.35 177.41 1c9f n TYR 52 N 4.80 0.00 0.18 0.29 9.36 -0.98 -1.69 117.16 129.12 1c9f n TYR 52 Ca 0.13 0.00 -0.08 0.00 3.32 0.00 0.00 57.90 61.27 1c9f n TYR 52 Cb 0.43 0.00 -0.04 0.00 -0.63 0.00 0.00 39.34 39.10 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 -0.51 0.00 2.98 4.57 -1.90 -3.41 114.58 116.32 1c9f h GLU 53 Ca 0.00 0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.19 1c9f h GLU 53 Cb 0.00 0.11 -0.05 0.00 -0.16 0.00 0.00 28.75 28.65 1c9f h GLU 53 CO 0.00 -0.34 -0.39 -3.47 -1.18 0.00 0.00 179.01 173.64 1c9f n ASP 54 N -4.78 1.26 -1.78 1.04 2.03 -1.24 -4.07 116.55 109.00 1c9f n ASP 54 Ca -0.07 -2.69 -0.08 0.00 0.52 0.00 0.00 54.79 52.48 1c9f n ASP 54 Cb 0.21 -0.35 0.03 0.00 -0.72 0.00 0.00 41.12 40.29 1c9f n ASP 54 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1c9f n GLY 55 N -0.63 0.27 3.92 0.27 0.00 -0.68 -4.30 105.19 104.04 1c9f n GLY 55 Ca 0.10 -0.30 -0.26 0.00 0.00 0.00 0.00 46.02 45.56 1c9f n GLY 55 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1c9f s THR 56 N -3.13 2.83 -0.12 2.61 2.01 -0.95 -4.79 115.64 114.10 1c9f s THR 56 Ca 0.11 -0.15 -0.00 0.00 0.31 0.00 0.00 61.69 61.95 1c9f s THR 56 Cb -0.05 -3.18 -0.02 0.00 0.01 0.00 0.00 72.50 69.26 1c9f s THR 56 CO 0.27 -0.19 -0.11 -1.83 -0.69 0.00 0.00 174.62 172.07 1c9f s GLU 57 N -5.15 3.30 0.31 4.92 -1.05 -1.26 -0.36 118.70 119.40 1c9f s GLU 57 Ca 0.58 -0.65 -0.16 0.00 -0.15 0.00 0.00 54.97 54.58 1c9f s GLU 57 Cb -0.11 -2.64 0.02 0.00 -0.44 0.00 0.00 34.13 30.96 1c9f s GLU 57 CO 0.45 0.29 0.66 0.08 0.95 0.00 0.00 175.26 177.69 1c9f s VAL 58 N 0.16 0.00 0.15 1.83 1.01 0.44 -4.84 120.40 119.14 1c9f s VAL 58 Ca -0.06 -1.15 0.04 0.00 0.00 0.00 0.00 61.98 60.81 1c9f s VAL 58 Cb -0.15 -2.35 -0.04 0.00 0.00 0.00 0.00 36.38 33.84 1c9f s VAL 58 CO 0.04 0.00 -0.09 0.42 0.00 0.00 0.00 175.10 175.47 1c9f s THR 59 N -3.42 1.13 -0.85 3.92 -4.23 -1.26 -1.34 115.64 109.59 1c9f s THR 59 Ca 0.17 -2.05 0.07 0.00 -1.18 0.00 0.00 61.69 58.69 1c9f s THR 59 Cb -0.04 -1.87 0.07 0.00 1.34 0.00 0.00 72.50 71.99 1c9f s THR 59 CO 0.10 -0.72 1.22 -0.90 -0.54 0.00 0.00 174.62 173.77 1c9f n ASP 60 N -0.20 0.12 -0.21 3.99 5.68 -1.26 -1.01 116.55 123.65 1c9f n ASP 60 Ca -0.10 0.55 0.08 0.00 -0.50 0.00 0.00 54.79 54.82 1c9f n ASP 60 Cb 0.61 -0.57 -0.05 0.00 -1.14 0.00 0.00 41.12 39.97 1c9f n ASP 60 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1c9f n ASP 61 N -1.65 1.29 -0.11 -1.12 8.00 -1.26 -4.53 116.55 117.17 1c9f n ASP 61 Ca 0.00 -1.14 -0.21 0.00 0.71 0.00 0.00 54.79 54.15 1c9f n ASP 61 Cb 0.05 0.73 -0.12 0.00 -0.02 0.00 0.00 41.12 41.76 1c9f n ASP 61 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1c9f n PHE 63 N -3.53 0.73 0.00 0.00 3.72 -1.04 -4.82 117.46 112.52 1c9f n PHE 63 Ca -0.45 0.41 0.00 0.00 -0.05 0.00 0.00 57.45 57.36 1c9f n PHE 63 Cb 0.97 -2.39 0.00 0.00 -0.94 0.00 0.00 39.48 37.12 1c9f n PHE 63 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1c9f n PRO 64 N 8.39 0.00 -3.53 -1.08 -0.04 -1.26 -4.79 135.00 132.69 1c9f n PRO 64 Ca 0.62 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.81 1c9f n PRO 64 Cb 0.06 -0.21 -0.09 0.00 -0.04 0.00 0.00 33.50 33.22 1c9f n PRO 64 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1c9f n GLY 65 N 2.31 4.02 3.62 0.55 0.00 -1.26 -4.83 105.19 109.60 1c9f n GLY 65 Ca 0.00 -2.40 -0.31 0.00 0.00 0.00 0.00 46.02 43.31 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 1.47 2.59 0.00 0.99 4.77 -1.26 -5.01 117.00 120.54 1c9f n LEU 66 Ca 0.26 0.39 0.00 0.00 -0.03 0.00 0.00 56.01 56.63 1c9f n LEU 66 Cb 0.42 -1.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.08 1c9f n LEU 66 CO 0.30 -2.45 0.00 -0.81 -1.33 0.00 0.00 177.39 173.10 1c9f n PRO 67 N -3.80 0.80 -2.57 3.23 -0.04 -1.26 -4.92 135.00 126.43 1c9f n PRO 67 Ca 0.11 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.23 1c9f n PRO 67 Cb 0.52 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.94 1c9f n PRO 67 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1c9f s ASN 68 N -1.23 6.46 -1.42 3.54 2.47 -1.26 -3.37 114.94 120.14 1c9f s ASN 68 Ca 0.00 1.85 -0.13 0.00 0.42 0.00 0.00 52.86 55.00 1c9f s ASN 68 Cb 0.00 -2.55 0.11 0.00 -1.45 0.00 0.00 41.25 37.36 1c9f s ASN 68 CO 0.00 -0.70 0.60 0.47 -3.72 0.00 0.00 177.10 173.75 1c9f n ASP 69 N -0.98 -3.37 -4.51 -4.21 9.92 0.68 -4.64 116.55 109.44 1c9f n ASP 69 Ca 0.09 -0.63 -0.33 0.00 -0.53 0.00 0.00 54.79 53.38 1c9f n ASP 69 Cb 0.53 -2.78 -0.15 0.00 -0.64 0.00 0.00 41.12 38.08 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 -3.85 0.58 -1.67 2.24 0.00 -0.89 -3.76 120.51 113.16 1c9f n ALA 70 Ca 0.03 -0.59 -0.35 0.00 0.00 0.00 0.00 53.44 52.54 1c9f n ALA 70 Cb 0.51 -2.50 -0.03 0.00 0.00 0.00 0.00 19.45 17.43 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 8.38 2.17 0.29 0.00 8.01 -1.26 -2.12 118.70 134.17 1c9f s GLU 71 Ca 1.27 1.12 0.09 0.00 0.01 0.00 0.00 54.97 57.46 1c9f s GLU 71 Cb -0.93 -4.57 -0.04 0.00 -4.31 0.00 0.00 34.13 24.28 1c9f s GLU 71 CO 0.45 -3.27 0.06 -0.51 0.01 0.00 0.00 175.26 172.01 1c9f s LEU 72 N 11.73 3.28 -0.02 1.80 1.02 -0.82 -2.32 118.68 133.35 1c9f s LEU 72 Ca 0.90 -0.65 0.00 0.00 0.02 0.00 0.00 54.13 54.40 1c9f s LEU 72 Cb -0.15 -1.78 0.02 0.00 0.02 0.00 0.00 46.19 44.29 1c9f s LEU 72 CO 0.23 -0.10 0.00 -0.22 0.02 0.00 0.00 176.35 176.28 1c9f s LEU 73 N -3.75 1.40 0.18 1.79 2.96 -0.20 -0.30 118.68 120.76 1c9f s LEU 73 Ca 0.34 -0.01 -0.19 0.00 -0.22 0.00 0.00 54.13 54.05 1c9f s LEU 73 Cb -0.05 -0.13 -0.08 0.00 0.50 0.00 0.00 46.19 46.43 1c9f s LEU 73 CO 0.21 -0.07 0.68 -0.22 -1.32 0.00 0.00 176.35 175.63 1c9f s LEU 74 N 0.70 4.40 0.10 -0.68 2.96 0.53 -1.21 118.68 125.48 1c9f s LEU 74 Ca -0.06 1.36 -0.15 0.00 -0.22 0.00 0.00 54.13 55.06 1c9f s LEU 74 Cb -0.09 -3.39 0.03 0.00 0.50 0.00 0.00 46.19 43.24 1c9f s LEU 74 CO -0.02 0.10 0.35 -0.22 -1.32 0.00 0.00 176.35 175.25 1c9f s LEU 75 N -1.74 0.65 0.18 -0.68 0.20 0.08 -3.30 118.68 114.07 1c9f s LEU 75 Ca 0.39 -0.31 -0.01 0.00 0.69 0.00 0.00 54.13 54.89 1c9f s LEU 75 Cb -0.18 1.62 -0.04 0.00 -0.43 0.00 0.00 46.19 47.16 1c9f s LEU 75 CO 0.21 -0.77 0.11 0.42 -0.29 0.00 0.00 176.35 176.03 1c9f s THR 76 N -3.45 0.06 0.64 3.68 -4.23 -1.25 -0.19 115.64 110.88 1c9f s THR 76 Ca 0.01 -1.98 0.23 0.00 -1.18 0.00 0.00 61.69 58.77 1c9f s THR 76 Cb 0.02 -2.39 0.27 0.00 1.34 0.00 0.00 72.50 71.74 1c9f s THR 76 CO -0.09 -0.12 1.63 0.00 -0.54 0.00 0.00 174.62 175.50 1c9f h ALA 77 N 2.67 1.92 -0.46 3.99 0.00 -1.85 1.31 119.26 126.85 1c9f h ALA 77 Ca -0.36 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.48 1c9f h ALA 77 Cb 1.24 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.01 1c9f h ALA 77 CO 0.55 -0.77 0.08 0.41 0.00 0.00 0.00 179.25 179.52 1c9f n GLY 78 N -1.42 2.77 3.62 0.00 0.00 -1.26 -4.87 105.19 104.02 1c9f n GLY 78 Ca 0.05 -0.67 -0.14 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.26 0.84 0.03 1.61 2.02 0.45 -5.13 118.70 116.26 1c9f s GLU 79 Ca 0.39 0.88 0.02 0.00 0.02 0.00 0.00 54.97 56.28 1c9f s GLU 79 Cb 0.30 0.41 -0.02 0.00 0.10 0.00 0.00 34.13 34.92 1c9f s GLU 79 CO 0.11 -0.13 -0.08 0.95 0.02 0.00 0.00 175.26 176.13 1c9f s THR 80 N 0.17 0.58 -0.12 3.63 -4.23 -1.26 -3.95 115.64 110.45 1c9f s THR 80 Ca -0.01 -0.85 0.02 0.00 -1.18 0.00 0.00 61.69 59.66 1c9f s THR 80 Cb -0.04 -0.59 -0.01 0.00 1.34 0.00 0.00 72.50 73.19 1c9f s THR 80 CO 0.02 -0.21 -0.17 0.86 -0.54 0.00 0.00 174.62 174.58 1c9f s TRP 81 N -0.99 2.71 0.00 3.99 -0.00 -1.26 -5.06 118.94 118.33 1c9f s TRP 81 Ca -0.05 -0.78 0.00 0.00 -0.00 0.00 0.00 56.10 55.26 1c9f s TRP 81 Cb -0.08 -1.79 0.00 0.00 -0.00 0.00 0.00 33.47 31.61 1c9f s TRP 81 CO 0.00 -0.28 0.05 0.72 -0.00 0.00 0.00 176.95 177.44 1c9f n HIS 82 N 3.49 0.00 -3.60 5.86 8.25 -1.26 -4.98 115.22 122.98 1c9f n HIS 82 Ca -0.18 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.28 1c9f n HIS 82 Cb 0.53 -0.21 -0.01 0.00 1.12 0.00 0.00 29.99 31.42 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 -1.35 -0.38 0.01 -1.41 0.00 -1.26 -4.54 107.32 98.38 1c9f s GLY 83 Ca 0.00 1.24 0.08 0.00 0.00 0.00 0.00 44.72 46.03 1c9f s GLY 83 CO 0.00 0.33 -0.22 -0.47 0.00 0.00 0.00 173.10 172.74 1c9f s TYR 84 N -2.16 2.44 0.75 1.90 5.04 -1.26 -4.82 117.35 119.24 1c9f s TYR 84 Ca 0.13 -0.34 -0.11 0.00 -2.44 0.00 0.00 57.07 54.31 1c9f s TYR 84 Cb 0.04 -1.47 0.04 0.00 0.35 0.00 0.00 41.96 40.92 1c9f s TYR 84 CO -0.05 0.12 1.13 0.14 -1.34 0.00 0.00 175.55 175.55 1c9f s VAL 85 N -0.78 2.82 -1.06 3.14 -7.23 -1.26 -4.55 120.40 111.47 1c9f s VAL 85 Ca 0.12 0.24 -0.02 0.00 -1.81 0.00 0.00 61.98 60.51 1c9f s VAL 85 Cb -0.10 -3.26 0.31 0.00 0.56 0.00 0.00 36.38 33.89 1c9f s VAL 85 CO 0.02 -0.34 1.75 -0.24 -0.31 0.00 0.00 175.10 175.98 1c9f n SER 86 N -3.13 7.07 0.00 4.85 2.88 -1.26 -5.02 113.62 119.01 1c9f n SER 86 Ca 0.07 -3.58 0.06 0.00 -1.33 0.00 0.00 58.87 54.09 1c9f n SER 86 Cb 0.59 -1.21 0.33 0.00 -0.75 0.00 0.00 64.21 63.16 1c9f n SER 86 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14