#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 0.00 -2.52 -1.54 0.00 0.00 -1.26 -4.76 120.51 110.44 1c9f n ALA 3 Ca 0.00 0.02 -0.38 0.00 0.00 0.00 0.00 53.44 53.07 1c9f n ALA 3 Cb 0.00 -4.66 -0.05 0.00 0.00 0.00 0.00 19.45 14.74 1c9f n ALA 3 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1c9f n VAL 4 N -3.24 -0.02 -3.08 0.00 3.14 -1.26 -4.90 118.33 108.96 1c9f n VAL 4 Ca -0.07 -0.63 0.00 0.00 -2.96 0.00 0.00 64.34 60.68 1c9f n VAL 4 Cb 0.60 -2.38 0.00 0.00 -1.06 0.00 0.00 33.84 31.00 1c9f n VAL 4 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1c9f n LEU 5 N 14.46 0.00 -3.66 6.55 4.77 -1.26 -5.05 117.00 132.81 1c9f n LEU 5 Ca 0.41 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 56.03 1c9f n LEU 5 Cb 0.44 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.51 1c9f n LEU 5 CO 0.74 -0.11 0.77 0.54 -1.33 0.00 0.00 177.39 178.00 1c9f n ARG 6 N -0.22 3.94 -0.91 3.23 1.74 -1.26 -5.00 116.66 118.18 1c9f n ARG 6 Ca 0.00 -4.65 0.00 0.00 -0.77 0.00 0.00 57.85 52.43 1c9f n ARG 6 Cb 0.00 -2.40 0.00 0.00 -1.02 0.00 0.00 32.46 29.04 1c9f n ARG 6 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 1c9f n GLN 7 N 0.78 -2.43 -2.36 5.56 0.00 -1.26 -4.83 117.38 112.84 1c9f n GLN 7 Ca 0.31 1.87 -0.41 0.00 -0.00 0.00 0.00 57.00 58.77 1c9f n GLN 7 Cb 0.35 -2.30 -0.03 0.00 0.00 0.00 0.00 30.24 28.26 1c9f n GLN 7 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 1c9f s PRO 8 N -4.79 4.47 0.19 3.69 0.04 -1.26 -4.76 135.00 132.58 1c9f s PRO 8 Ca 0.00 1.88 -0.03 0.00 0.04 0.00 0.00 61.00 62.89 1c9f s PRO 8 Cb 0.00 -3.26 0.04 0.00 0.04 0.00 0.00 34.50 31.33 1c9f s PRO 8 CO 0.00 -0.15 0.26 1.63 0.04 0.00 0.00 177.00 178.78 1c9f n LYS 9 N 2.84 -0.29 -3.77 4.56 4.76 -0.57 -4.70 118.16 120.99 1c9f n LYS 9 Ca 0.06 -0.40 -0.13 0.00 -2.87 0.00 0.00 58.31 54.97 1c9f n LYS 9 Cb 0.45 -0.27 -0.09 0.00 -1.84 0.00 0.00 35.03 33.28 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 -1.25 -0.02 -0.71 0.00 -7.23 -0.38 0.25 120.40 111.06 1c9f s VAL 11 Ca -0.13 0.07 -0.16 0.00 -1.81 0.00 0.00 61.98 59.94 1c9f s VAL 11 Cb -0.05 -0.44 0.16 0.00 0.56 0.00 0.00 36.38 36.60 1c9f s VAL 11 CO 0.04 0.03 0.73 -0.54 -0.31 0.00 0.00 175.10 175.05 1c9f s LYS 12 N 0.77 3.30 -0.97 4.82 -0.14 0.11 -0.98 119.74 126.65 1c9f s LYS 12 Ca -0.05 -1.89 -0.24 0.00 -1.36 0.00 0.00 55.97 52.44 1c9f s LYS 12 Cb -0.06 -4.42 -0.01 0.00 -1.68 0.00 0.00 37.83 31.67 1c9f s LYS 12 CO -0.05 -1.43 1.74 -1.17 -0.76 0.00 0.00 175.35 173.68 1c9f s LEU 13 N 1.50 3.32 0.29 3.17 2.96 -1.04 -2.28 118.68 126.60 1c9f s LEU 13 Ca 0.14 -1.07 -0.10 0.00 -0.22 0.00 0.00 54.13 52.88 1c9f s LEU 13 Cb -0.18 -2.57 -0.07 0.00 0.50 0.00 0.00 46.19 43.87 1c9f s LEU 13 CO -0.02 -2.21 0.62 -0.60 -1.32 0.00 0.00 176.35 172.83 1c9f s ARG 14 N 6.08 3.80 -0.02 1.98 6.06 0.40 0.20 118.95 137.46 1c9f s ARG 14 Ca 0.60 0.33 0.00 0.00 -2.50 0.00 0.00 55.73 54.16 1c9f s ARG 14 Cb -0.03 -2.56 0.02 0.00 0.06 0.00 0.00 34.95 32.44 1c9f s ARG 14 CO -0.04 0.21 -0.00 0.00 -2.50 0.00 0.00 175.30 172.97 1c9f s ALA 15 N -1.99 0.27 0.18 6.12 0.00 -1.04 -0.33 121.76 124.97 1c9f s ALA 15 Ca 0.49 0.15 0.23 0.00 0.00 0.00 0.00 51.96 52.83 1c9f s ALA 15 Cb -0.11 -0.27 0.94 0.00 0.00 0.00 0.00 23.12 23.68 1c9f s ALA 15 CO 0.24 -0.05 1.84 -0.07 0.00 0.00 0.00 175.76 177.71 1c9f h LEU 16 N 7.09 0.00 -1.50 0.00 3.38 -1.90 -2.51 115.31 119.88 1c9f h LEU 16 Ca -0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1c9f h LEU 16 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1c9f h LEU 16 CO 0.48 0.24 0.00 1.57 0.09 0.00 0.00 178.44 180.82 1c9f n HIS 17 N -3.45 0.56 -3.13 1.13 -0.00 -1.26 -4.86 115.22 104.21 1c9f n HIS 17 Ca -0.00 -0.21 0.00 0.00 0.46 0.00 0.00 57.72 57.96 1c9f n HIS 17 Cb 0.42 -0.15 0.00 0.00 -0.12 0.00 0.00 29.99 30.14 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 0.22 0.49 -0.83 0.26 2.88 -0.95 -5.07 113.62 110.63 1c9f n SER 18 Ca 0.09 -0.13 0.05 0.00 -1.33 0.00 0.00 58.87 57.56 1c9f n SER 18 Cb 0.43 0.00 0.16 0.00 -0.75 0.00 0.00 64.21 64.05 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 3.29 0.00 -1.46 0.00 -1.26 -4.96 120.51 113.12 1c9f n ALA 19 Ca 0.00 -3.03 0.00 0.00 0.00 0.00 0.00 53.44 50.41 1c9f n ALA 19 Cb 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 18.99 1c9f n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1c9f s LYS 21 N -0.52 0.90 -1.07 0.00 0.00 -1.26 -2.49 119.74 115.31 1c9f s LYS 21 Ca 0.00 -1.42 -0.07 0.00 0.00 0.00 0.00 55.97 54.48 1c9f s LYS 21 Cb 0.00 0.17 0.27 0.00 0.00 0.00 0.00 37.83 38.27 1c9f s LYS 21 CO 0.00 -0.22 1.05 0.34 0.00 0.00 0.00 175.35 176.52 1c9f n PHE 22 N -0.08 4.96 -1.66 1.78 7.35 0.55 -4.78 117.46 125.58 1c9f n PHE 22 Ca -0.07 -3.93 -0.16 0.00 -0.76 0.00 0.00 57.45 52.53 1c9f n PHE 22 Cb 0.63 -1.56 -0.08 0.00 0.35 0.00 0.00 39.48 38.83 1c9f n PHE 22 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 1c9f s GLY 23 N 0.85 -0.72 -0.09 7.13 0.00 -1.26 -2.49 107.32 110.75 1c9f s GLY 23 Ca 0.30 -1.08 -0.04 0.00 0.00 0.00 0.00 44.72 43.91 1c9f s GLY 23 CO -0.08 4.12 0.08 0.54 0.00 0.00 0.00 173.10 177.75 1c9f s VAL 24 N 14.49 4.92 0.15 1.40 0.11 -0.15 -4.88 120.40 136.43 1c9f s VAL 24 Ca 0.87 -0.05 0.11 0.00 -2.93 0.00 0.00 61.98 59.98 1c9f s VAL 24 Cb -0.10 -3.13 -0.04 0.00 -1.53 0.00 0.00 36.38 31.58 1c9f s VAL 24 CO 0.09 0.58 -0.26 0.00 -3.33 0.00 0.00 175.10 172.18 1c9f s ALA 25 N -0.99 2.43 -0.23 1.54 0.00 -1.26 -1.24 121.76 122.01 1c9f s ALA 25 Ca 0.15 -1.51 -0.29 0.00 0.00 0.00 0.00 51.96 50.31 1c9f s ALA 25 Cb -0.12 -0.38 0.16 0.00 0.00 0.00 0.00 23.12 22.79 1c9f s ALA 25 CO 0.04 0.51 1.19 0.00 0.00 0.00 0.00 175.76 177.51 1c9f s ALA 26 N -1.23 -2.04 0.09 0.00 0.00 -0.90 -4.94 121.76 112.73 1c9f s ALA 26 Ca 0.16 1.75 -0.21 0.00 0.00 0.00 0.00 51.96 53.66 1c9f s ALA 26 Cb -0.09 -1.19 -0.10 0.00 0.00 0.00 0.00 23.12 21.73 1c9f s ALA 26 CO 0.07 -0.26 1.63 0.00 0.00 0.00 0.00 175.76 177.21 1c9f h ARG 27 N 2.46 0.22 -5.57 0.00 2.47 -1.86 -1.53 114.38 110.57 1c9f h ARG 27 Ca -0.15 -0.04 -0.65 0.00 -1.26 0.00 0.00 59.98 57.89 1c9f h ARG 27 Cb 1.18 -0.04 -0.14 0.00 -1.65 0.00 0.00 29.97 29.32 1c9f h ARG 27 CO 0.25 0.30 1.23 0.45 0.56 0.00 0.00 179.97 182.76 1c9f s SER 28 N -5.53 6.59 0.52 7.04 0.15 -1.26 -4.54 113.70 116.68 1c9f s SER 28 Ca -0.14 -1.82 0.42 0.00 0.70 0.00 0.00 55.95 55.12 1c9f s SER 28 Cb 0.07 -2.49 1.61 0.00 -1.71 0.00 0.00 66.02 63.50 1c9f s SER 28 CO 0.70 -1.27 1.64 0.00 1.20 0.00 0.00 173.24 175.51 1c9f h GLN 30 N 0.03 0.78 0.13 0.00 7.50 -1.88 -2.59 115.11 119.08 1c9f h GLN 30 Ca 0.82 -0.08 -0.01 0.00 0.50 0.00 0.00 58.65 59.88 1c9f h GLN 30 Cb 3.10 -0.16 0.00 0.00 0.05 0.00 0.00 27.48 30.47 1c9f h GLN 30 CO -0.11 0.58 -0.06 1.49 -1.50 0.00 0.00 178.83 179.23 1c9f h GLU 31 N 0.79 -0.16 -0.98 1.46 4.57 0.15 -2.49 114.58 117.92 1c9f h GLU 31 Ca 0.20 0.01 0.15 0.00 -1.18 0.00 0.00 59.36 58.54 1c9f h GLU 31 Cb 0.02 0.04 -0.09 0.00 -0.16 0.00 0.00 28.75 28.56 1c9f h GLU 31 CO -0.03 -0.01 0.62 -0.07 -1.18 0.00 0.00 179.01 178.34 1c9f h LEU 32 N -0.29 0.82 0.04 1.64 3.38 -1.49 -0.88 115.31 118.53 1c9f h LEU 32 Ca -0.02 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1c9f h LEU 32 Cb 0.23 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 1c9f h LEU 32 CO 0.03 0.39 -0.03 -0.07 0.09 0.00 0.00 178.44 178.85 1c9f h LEU 33 N 0.85 -0.08 -0.06 1.67 3.38 -1.08 0.12 115.31 120.11 1c9f h LEU 33 Ca 0.51 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.51 1c9f h LEU 33 Cb 0.68 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.40 1c9f h LEU 33 CO -0.28 -0.04 -0.54 -0.09 0.09 0.00 0.00 178.44 177.57 1c9f h ARG 34 N -0.07 -0.60 -0.96 1.13 9.65 -1.25 0.59 114.38 122.86 1c9f h ARG 34 Ca -0.01 0.04 0.28 0.00 -1.10 0.00 0.00 59.98 59.19 1c9f h ARG 34 Cb 0.06 0.14 -0.04 0.00 -1.39 0.00 0.00 29.97 28.74 1c9f h ARG 34 CO 0.00 -0.40 0.86 0.87 2.80 0.00 0.00 179.97 184.10 1c9f h LYS 35 N -0.63 0.00 0.31 0.20 1.57 -1.17 0.12 116.57 116.97 1c9f h LYS 35 Ca 0.02 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 1c9f h LYS 35 Cb 0.70 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.01 1c9f h LYS 35 CO -0.39 0.00 -0.15 0.78 -0.57 0.00 0.00 179.45 179.12 1c9f h GLY 36 N 0.00 -0.44 2.00 3.86 0.00 0.29 -0.05 103.07 108.74 1c9f h GLY 36 Ca 0.46 0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.95 1c9f h GLY 36 CO -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 176.54 176.38 1c9f h VAL 38 N 0.00 0.49 0.00 0.00 2.07 -1.01 0.20 116.25 118.00 1c9f h VAL 38 Ca 0.00 -1.55 -0.04 0.00 0.82 0.00 0.00 66.70 65.94 1c9f h VAL 38 Cb 0.02 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 1c9f h VAL 38 CO 0.00 0.17 -0.17 0.03 0.02 0.00 0.00 177.57 177.61 1c9f h ARG 39 N -1.00 0.00 0.00 1.57 2.47 -0.74 -2.38 114.38 114.31 1c9f h ARG 39 Ca -0.13 0.00 -0.07 0.00 -1.26 0.00 0.00 59.98 58.53 1c9f h ARG 39 Cb 0.78 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.09 1c9f h ARG 39 CO -0.08 0.17 -1.68 1.19 0.56 0.00 0.00 179.97 180.13 1c9f n PHE 40 N -4.28 0.42 -2.59 3.04 3.01 0.21 -5.04 117.46 112.22 1c9f n PHE 40 Ca -0.02 0.13 -0.04 0.00 1.01 0.00 0.00 57.45 58.52 1c9f n PHE 40 Cb 0.24 -0.77 0.00 0.00 -0.01 0.00 0.00 39.48 38.94 1c9f n PHE 40 CO 0.00 0.00 0.00 0.94 1.01 0.00 0.00 176.76 178.71 1c9f n GLN 41 N -2.52 -2.39 -3.91 -1.08 7.27 0.63 -5.00 117.38 110.38 1c9f n GLN 41 Ca -0.07 2.10 -0.30 0.00 0.07 0.00 0.00 57.00 58.79 1c9f n GLN 41 Cb 0.67 -4.88 -0.15 0.00 2.41 0.00 0.00 30.24 28.29 1c9f n GLN 41 CO 0.00 0.00 0.00 -1.17 0.07 0.00 0.00 177.06 175.96 1c9f s LEU 42 N -1.95 3.85 0.00 1.69 1.98 -0.68 -5.00 118.68 118.57 1c9f s LEU 42 Ca 0.12 -2.11 0.00 0.00 -2.89 0.00 0.00 54.13 49.25 1c9f s LEU 42 Cb -0.03 -1.37 0.00 0.00 0.66 0.00 0.00 46.19 45.45 1c9f s LEU 42 CO 0.65 -0.37 0.00 -0.81 -1.89 0.00 0.00 176.35 173.93 1c9f n PRO 43 N 4.28 0.90 -2.31 0.98 -0.04 -1.26 -4.99 135.00 132.56 1c9f n PRO 43 Ca 0.03 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.28 1c9f n PRO 43 Cb 0.41 0.00 0.02 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 -0.08 3.13 0.00 0.54 1.56 -1.26 -4.68 117.12 116.33 1c9f n MET 44 Ca 0.00 -4.12 0.11 0.00 -0.27 0.00 0.00 57.70 53.42 1c9f n MET 44 Cb 0.00 -2.11 0.64 0.00 2.15 0.00 0.00 33.22 33.90 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 -0.57 0.87 0.00 2.12 -0.04 -1.26 -4.71 135.00 131.40 1c9f n PRO 45 Ca 0.35 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.81 1c9f n PRO 45 Cb 0.84 -1.39 0.00 0.00 -0.04 0.00 0.00 33.50 32.92 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 0.66 1.38 0.00 0.55 0.00 -1.26 -4.93 105.19 101.59 1c9f n GLY 46 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.10 0.00 1.61 7.64 -1.26 -3.70 113.62 117.81 1c9f n SER 47 Ca 0.00 -0.12 0.00 0.00 1.01 0.00 0.00 58.87 59.76 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 -0.22 0.00 -3.98 1.43 1.74 0.84 -4.75 116.66 111.71 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 3.14 0.00 0.55 1.02 -0.34 -0.39 118.68 122.66 1c9f s LEU 49 Ca 0.00 -0.89 -0.00 0.00 0.02 0.00 0.00 54.13 53.26 1c9f s LEU 49 Cb 0.00 -1.65 0.02 0.00 0.02 0.00 0.00 46.19 44.58 1c9f s LEU 49 CO 0.00 -0.12 0.12 0.00 0.02 0.00 0.00 176.35 176.36 1c9f s LEU 51 N 0.00 1.99 0.32 0.00 0.20 0.79 -0.63 118.68 121.34 1c9f s LEU 51 Ca 0.08 -0.53 0.25 0.00 0.69 0.00 0.00 54.13 54.61 1c9f s LEU 51 Cb -0.00 -1.32 1.12 0.00 -0.43 0.00 0.00 46.19 45.56 1c9f s LEU 51 CO 0.05 0.09 1.75 0.22 -0.29 0.00 0.00 176.35 178.17 1c9f h TYR 52 N 7.15 0.00 -0.07 5.38 3.20 -1.61 -2.41 116.97 128.61 1c9f h TYR 52 Ca -0.28 0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.60 1c9f h TYR 52 Cb 1.20 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.46 1c9f h TYR 52 CO 0.47 0.00 -0.08 1.49 -1.64 0.00 0.00 178.16 178.41 1c9f h GLU 53 N 0.00 -0.04 -0.37 1.82 4.81 -1.95 -3.36 114.58 115.49 1c9f h GLU 53 Ca 0.00 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 59.00 1c9f h GLU 53 Cb 0.28 0.01 -0.36 0.00 0.63 0.00 0.00 28.75 29.31 1c9f h GLU 53 CO 0.00 -0.03 -0.99 -3.47 -0.73 0.00 0.00 179.01 173.79 1c9f n ASP 54 N -3.11 1.10 -1.59 1.04 2.03 -1.24 -4.32 116.55 110.46 1c9f n ASP 54 Ca -0.00 -2.06 -0.09 0.00 0.52 0.00 0.00 54.79 53.16 1c9f n ASP 54 Cb 0.04 -0.30 0.03 0.00 -0.72 0.00 0.00 41.12 40.17 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 -0.74 0.32 3.87 0.27 0.00 -1.04 -4.36 105.19 103.52 1c9f n GLY 55 Ca 0.03 -0.35 -0.31 0.00 0.00 0.00 0.00 46.02 45.40 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 -3.02 4.72 -0.14 2.61 2.01 -0.94 -4.82 115.64 116.06 1c9f s THR 56 Ca 0.19 0.83 -0.00 0.00 0.31 0.00 0.00 61.69 63.03 1c9f s THR 56 Cb -0.09 -3.87 -0.01 0.00 0.01 0.00 0.00 72.50 68.54 1c9f s THR 56 CO 0.24 -1.13 -0.13 -1.83 -0.69 0.00 0.00 174.62 171.08 1c9f s GLU 57 N -5.15 3.35 0.04 4.92 -1.05 -1.26 -0.15 118.70 119.39 1c9f s GLU 57 Ca 0.55 -0.70 -0.00 0.00 -0.15 0.00 0.00 54.97 54.67 1c9f s GLU 57 Cb -0.11 -2.64 0.00 0.00 -0.44 0.00 0.00 34.13 30.94 1c9f s GLU 57 CO 0.53 0.16 0.05 0.28 0.95 0.00 0.00 175.26 177.24 1c9f n VAL 58 N 3.67 0.00 -4.02 1.83 0.31 0.53 -4.88 118.33 115.77 1c9f n VAL 58 Ca -0.18 -0.20 -0.10 0.00 -0.01 0.00 0.00 64.34 63.85 1c9f n VAL 58 Cb 0.52 0.12 -0.08 0.00 -0.91 0.00 0.00 33.84 33.50 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 -2.45 0.07 -2.00 2.52 -4.23 -1.14 -1.20 115.64 107.21 1c9f s THR 59 Ca 0.03 -1.55 0.04 0.00 -1.18 0.00 0.00 61.69 59.04 1c9f s THR 59 Cb -0.00 -1.92 0.12 0.00 1.34 0.00 0.00 72.50 72.03 1c9f s THR 59 CO 0.02 -0.33 1.12 -0.90 -0.54 0.00 0.00 174.62 174.00 1c9f n ASP 60 N -0.19 0.00 0.00 3.99 5.75 -1.26 -3.00 116.55 121.84 1c9f n ASP 60 Ca -0.06 -1.79 0.00 0.00 -0.01 0.00 0.00 54.79 52.92 1c9f n ASP 60 Cb 0.63 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.72 1c9f n ASP 60 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1c9f n ASP 61 N -0.57 1.17 -0.00 -1.12 2.03 -1.26 -4.77 116.55 112.03 1c9f n ASP 61 Ca 0.03 -1.42 -0.00 0.00 0.52 0.00 0.00 54.79 53.92 1c9f n ASP 61 Cb 0.01 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.41 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 -2.34 0.63 0.00 0.00 3.72 -1.19 -4.82 117.46 113.46 1c9f n PHE 63 Ca -0.00 0.39 0.00 0.00 -0.05 0.00 0.00 57.45 57.79 1c9f n PHE 63 Cb 0.51 -2.39 0.00 0.00 -0.94 0.00 0.00 39.48 36.66 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 8.47 0.00 -3.12 -1.08 -0.04 -1.26 -4.69 135.00 133.28 1c9f n PRO 64 Ca 0.64 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.76 1c9f n PRO 64 Cb 0.05 -0.14 -0.03 0.00 -0.04 0.00 0.00 33.50 33.34 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 2.45 5.20 3.35 0.55 0.00 -1.26 -4.82 105.19 110.66 1c9f n GLY 65 Ca 0.00 -2.72 -0.42 0.00 0.00 0.00 0.00 46.02 42.88 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 0.78 -1.91 -4.81 0.99 4.32 -1.26 -4.90 117.00 110.20 1c9f n LEU 66 Ca 0.31 0.86 -0.32 0.00 -0.02 0.00 0.00 56.01 56.84 1c9f n LEU 66 Cb 0.36 -0.96 0.04 0.00 -1.62 0.00 0.00 43.42 41.24 1c9f n LEU 66 CO 0.53 -3.74 0.71 -2.16 -1.22 0.00 0.00 177.39 171.51 1c9f s PRO 67 N -1.18 3.06 0.45 3.23 0.04 -1.26 -4.86 135.00 134.47 1c9f s PRO 67 Ca 0.61 1.05 -0.21 0.00 0.04 0.00 0.00 61.00 62.49 1c9f s PRO 67 Cb -0.64 -2.00 -0.13 0.00 0.04 0.00 0.00 34.50 31.76 1c9f s PRO 67 CO 0.61 -1.00 0.34 0.27 0.04 0.00 0.00 177.00 177.26 1c9f n ASN 68 N -2.74 -1.77 -3.69 6.66 0.23 -1.26 0.26 115.26 112.95 1c9f n ASN 68 Ca 0.08 0.83 -0.27 0.00 -0.53 0.00 0.00 54.58 54.69 1c9f n ASN 68 Cb 0.53 -1.03 -0.03 0.00 -2.08 0.00 0.00 39.78 37.17 1c9f n ASN 68 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1c9f n ASP 69 N 1.59 -2.45 -4.69 0.53 8.00 0.68 -4.69 116.55 115.52 1c9f n ASP 69 Ca 0.11 -0.57 -0.61 0.00 0.71 0.00 0.00 54.79 54.43 1c9f n ASP 69 Cb 0.42 -2.09 -0.08 0.00 -0.02 0.00 0.00 41.12 39.35 1c9f n ASP 69 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1c9f n ALA 70 N -3.58 -0.52 -2.64 2.24 0.00 0.14 -4.06 120.51 112.09 1c9f n ALA 70 Ca 0.05 0.40 -0.42 0.00 0.00 0.00 0.00 53.44 53.47 1c9f n ALA 70 Cb 0.49 -2.13 -0.03 0.00 0.00 0.00 0.00 19.45 17.79 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 3.60 3.24 0.14 0.00 2.02 -1.26 -0.71 118.70 125.73 1c9f s GLU 71 Ca 1.02 -0.30 0.06 0.00 0.02 0.00 0.00 54.97 55.77 1c9f s GLU 71 Cb -1.23 -4.15 -0.04 0.00 0.10 0.00 0.00 34.13 28.81 1c9f s GLU 71 CO 0.71 -1.94 -0.01 -0.51 0.02 0.00 0.00 175.26 173.54 1c9f s LEU 72 N 5.06 3.35 -0.26 1.80 1.02 -0.97 -1.73 118.68 126.95 1c9f s LEU 72 Ca 0.33 -0.32 -0.01 0.00 0.02 0.00 0.00 54.13 54.15 1c9f s LEU 72 Cb -0.10 -2.04 0.08 0.00 0.02 0.00 0.00 46.19 44.15 1c9f s LEU 72 CO 0.16 0.12 0.05 -0.22 0.02 0.00 0.00 176.35 176.48 1c9f s LEU 73 N -2.68 2.10 0.15 1.79 2.96 0.19 -0.45 118.68 122.74 1c9f s LEU 73 Ca 0.26 -1.34 -0.31 0.00 -0.22 0.00 0.00 54.13 52.53 1c9f s LEU 73 Cb -0.10 -0.88 -0.11 0.00 0.50 0.00 0.00 46.19 45.60 1c9f s LEU 73 CO 0.18 -0.35 1.79 -0.22 -1.32 0.00 0.00 176.35 176.44 1c9f s LEU 74 N 1.61 4.39 0.05 -0.68 2.96 0.55 -1.69 118.68 125.88 1c9f s LEU 74 Ca 0.04 2.79 -0.00 0.00 -0.22 0.00 0.00 54.13 56.73 1c9f s LEU 74 Cb -0.18 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 42.90 1c9f s LEU 74 CO -0.16 -0.99 -0.04 -0.22 -1.32 0.00 0.00 176.35 173.62 1c9f s LEU 75 N 2.27 2.46 0.35 -0.68 0.20 0.48 -3.77 118.68 119.99 1c9f s LEU 75 Ca 0.79 -0.93 0.04 0.00 0.69 0.00 0.00 54.13 54.72 1c9f s LEU 75 Cb -0.47 0.13 -0.03 0.00 -0.43 0.00 0.00 46.19 45.39 1c9f s LEU 75 CO 0.35 -0.53 0.17 0.42 -0.29 0.00 0.00 176.35 176.46 1c9f s THR 76 N -3.51 0.39 0.48 3.68 -4.23 -1.26 -0.11 115.64 111.07 1c9f s THR 76 Ca 0.05 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 58.79 1c9f s THR 76 Cb 0.05 -2.46 0.42 0.00 1.34 0.00 0.00 72.50 71.85 1c9f s THR 76 CO -0.08 0.00 1.89 0.00 -0.54 0.00 0.00 174.62 175.89 1c9f h ALA 77 N 2.05 2.46 -0.27 3.99 0.00 -1.86 0.73 119.26 126.36 1c9f h ALA 77 Ca -0.33 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 1c9f h ALA 77 Cb 1.25 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1c9f h ALA 77 CO 0.51 -0.72 0.03 0.41 0.00 0.00 0.00 179.25 179.48 1c9f n GLY 78 N -1.60 2.25 3.12 0.00 0.00 -1.26 -4.85 105.19 102.85 1c9f n GLY 78 Ca 0.17 -0.42 -0.12 0.00 0.00 0.00 0.00 46.02 45.66 1c9f n GLY 78 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1c9f s GLU 79 N -1.76 0.47 -0.09 1.61 2.12 0.25 -5.15 118.70 116.15 1c9f s GLU 79 Ca 0.24 -0.29 -0.08 0.00 0.36 0.00 0.00 54.97 55.21 1c9f s GLU 79 Cb 0.19 0.20 0.03 0.00 0.26 0.00 0.00 34.13 34.81 1c9f s GLU 79 CO 0.07 -0.11 0.25 0.95 -0.54 0.00 0.00 175.26 175.87 1c9f s THR 80 N -1.18 -0.01 -0.21 -1.70 -4.23 -1.26 -4.26 115.64 102.79 1c9f s THR 80 Ca -0.13 0.03 -0.06 0.00 -1.18 0.00 0.00 61.69 60.36 1c9f s THR 80 Cb -0.07 -0.35 -0.03 0.00 1.34 0.00 0.00 72.50 73.40 1c9f s THR 80 CO 0.02 0.01 0.02 0.86 -0.54 0.00 0.00 174.62 174.98 1c9f s TRP 81 N 0.36 3.06 0.00 3.99 -0.00 -1.26 -5.02 118.94 120.07 1c9f s TRP 81 Ca -0.02 -0.43 -0.18 0.00 -0.00 0.00 0.00 56.10 55.47 1c9f s TRP 81 Cb -0.03 -2.11 -0.10 0.00 -0.00 0.00 0.00 33.47 31.22 1c9f s TRP 81 CO -0.01 -0.25 0.91 0.45 -0.00 0.00 0.00 176.95 178.04 1c9f h HIS 82 N 7.60 -0.61 0.00 5.86 3.86 -2.00 -3.48 115.15 126.39 1c9f h HIS 82 Ca -0.37 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 58.83 1c9f h HIS 82 Cb 1.18 0.20 0.00 0.00 1.06 0.00 0.00 27.41 29.85 1c9f h HIS 82 CO 0.60 -0.38 0.00 0.41 0.86 0.00 0.00 177.93 179.43 1c9f n GLY 83 N -0.29 4.09 3.94 2.45 0.00 -1.26 -4.59 105.19 109.53 1c9f n GLY 83 Ca -0.08 -1.04 -0.25 0.00 0.00 0.00 0.00 46.02 44.65 1c9f n GLY 83 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1c9f s TYR 84 N -2.00 3.15 0.77 1.61 5.04 -1.26 -4.72 117.35 119.95 1c9f s TYR 84 Ca 0.00 0.42 -0.07 0.00 -2.44 0.00 0.00 57.07 54.98 1c9f s TYR 84 Cb 0.00 -2.68 0.12 0.00 0.35 0.00 0.00 41.96 39.75 1c9f s TYR 84 CO 0.00 -0.78 1.08 0.14 -1.34 0.00 0.00 175.55 174.65 1c9f s VAL 85 N -2.87 2.17 -0.31 3.14 -7.23 -1.26 -4.63 120.40 109.41 1c9f s VAL 85 Ca 0.54 -0.33 0.19 0.00 -1.81 0.00 0.00 61.98 60.57 1c9f s VAL 85 Cb -0.10 -2.84 0.47 0.00 0.56 0.00 0.00 36.38 34.47 1c9f s VAL 85 CO 0.42 0.00 1.00 -1.54 -0.31 0.00 0.00 175.10 174.67 1c9f n SER 86 N -3.09 1.58 -0.13 4.85 3.41 -1.26 -4.92 113.62 114.06 1c9f n SER 86 Ca 0.12 -2.54 0.02 0.00 -0.26 0.00 0.00 58.87 56.21 1c9f n SER 86 Cb 0.60 -0.51 0.01 0.00 -0.26 0.00 0.00 64.21 64.05 1c9f n SER 86 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35