#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c9f s ALA 3 N 14.06 -2.77 -0.85 0.00 0.00 -1.26 -5.03 121.76 125.90 1c9f s ALA 3 Ca 0.90 -0.03 -0.06 0.00 0.00 0.00 0.00 51.96 52.77 1c9f s ALA 3 Cb -0.16 -2.79 -0.06 0.00 0.00 0.00 0.00 23.12 20.11 1c9f s ALA 3 CO 0.14 -2.31 2.14 1.33 0.00 0.00 0.00 175.76 177.06 1c9f n VAL 4 N 3.11 2.41 -2.46 0.00 0.24 -1.26 -4.67 118.33 115.70 1c9f n VAL 4 Ca 0.15 -1.42 -0.02 0.00 -2.04 0.00 0.00 64.34 61.01 1c9f n VAL 4 Cb 0.58 -2.11 -0.02 0.00 -1.47 0.00 0.00 33.84 30.83 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 4.07 -6.15 -2.54 1.34 0.00 -1.26 -4.83 117.00 107.63 1c9f n LEU 5 Ca 0.43 2.55 -0.35 0.00 0.00 0.00 0.00 56.01 58.65 1c9f n LEU 5 Cb 0.16 -3.17 0.05 0.00 0.00 0.00 0.00 43.42 40.47 1c9f n LEU 5 CO 0.66 -3.33 1.48 0.54 0.00 0.00 0.00 177.39 176.75 1c9f n ARG 6 N 1.84 2.61 -3.15 1.96 5.12 -1.26 -4.80 116.66 118.97 1c9f n ARG 6 Ca -0.16 -3.16 0.05 0.00 -1.93 0.00 0.00 57.85 52.65 1c9f n ARG 6 Cb 0.25 -2.21 -0.03 0.00 -1.16 0.00 0.00 32.46 29.31 1c9f n ARG 6 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 1c9f s GLN 7 N -3.58 0.02 -0.07 5.56 0.74 -1.26 -5.13 119.66 115.94 1c9f s GLN 7 Ca 0.57 0.03 -0.30 0.00 0.05 0.00 0.00 55.36 55.71 1c9f s GLN 7 Cb 0.45 0.02 -0.04 0.00 1.10 0.00 0.00 33.01 34.54 1c9f s GLN 7 CO -0.19 -0.01 1.35 -1.25 -0.55 0.00 0.00 175.29 174.64 1c9f s PRO 8 N 2.69 4.27 0.24 1.67 0.04 -1.26 -4.76 135.00 137.89 1c9f s PRO 8 Ca -0.07 1.85 -0.30 0.00 0.04 0.00 0.00 61.00 62.51 1c9f s PRO 8 Cb -0.06 -3.68 -0.09 0.00 0.04 0.00 0.00 34.50 30.71 1c9f s PRO 8 CO -0.09 -0.62 0.95 0.21 0.04 0.00 0.00 177.00 177.48 1c9f s LYS 9 N 2.88 4.85 0.07 4.56 2.47 0.20 -4.64 119.74 130.13 1c9f s LYS 9 Ca 0.61 1.51 0.04 0.00 -1.56 0.00 0.00 55.97 56.56 1c9f s LYS 9 Cb -0.27 -3.28 -0.04 0.00 -1.46 0.00 0.00 37.83 32.78 1c9f s LYS 9 CO 0.23 0.50 0.01 0.00 0.16 0.00 0.00 175.35 176.25 1c9f s VAL 11 N -1.28 -0.14 -0.78 0.00 -7.23 0.03 0.23 120.40 111.23 1c9f s VAL 11 Ca 0.25 0.24 -0.24 0.00 -1.81 0.00 0.00 61.98 60.42 1c9f s VAL 11 Cb -0.12 -0.28 0.06 0.00 0.56 0.00 0.00 36.38 36.60 1c9f s VAL 11 CO 0.17 0.10 1.19 -0.54 -0.31 0.00 0.00 175.10 175.72 1c9f s LYS 12 N 1.63 3.27 -1.28 4.82 -0.14 -0.29 -1.87 119.74 125.87 1c9f s LYS 12 Ca -0.05 -0.72 -0.19 0.00 -1.36 0.00 0.00 55.97 53.66 1c9f s LYS 12 Cb -0.12 -4.46 0.04 0.00 -1.68 0.00 0.00 37.83 31.61 1c9f s LYS 12 CO -0.06 -2.02 1.80 -0.11 -0.76 0.00 0.00 175.35 174.20 1c9f n LEU 13 N 8.49 4.70 -4.87 3.17 7.94 -0.71 -1.78 117.00 133.93 1c9f n LEU 13 Ca 0.08 -3.79 -0.31 0.00 -1.11 0.00 0.00 56.01 50.88 1c9f n LEU 13 Cb 0.48 -1.74 0.01 0.00 0.53 0.00 0.00 43.42 42.71 1c9f n LEU 13 CO 0.66 -0.16 0.70 -0.60 -1.11 0.00 0.00 177.39 176.88 1c9f s ARG 14 N 4.58 3.54 -0.09 1.96 6.06 0.56 -1.08 118.95 134.48 1c9f s ARG 14 Ca 0.56 0.69 -0.03 0.00 -2.50 0.00 0.00 55.73 54.45 1c9f s ARG 14 Cb 0.04 -2.10 0.04 0.00 0.06 0.00 0.00 34.95 32.99 1c9f s ARG 14 CO 0.08 -0.58 0.10 0.00 -2.50 0.00 0.00 175.30 172.40 1c9f s ALA 15 N -3.16 0.18 0.13 6.12 0.00 -1.04 -0.21 121.76 123.77 1c9f s ALA 15 Ca 0.55 0.14 0.34 0.00 0.00 0.00 0.00 51.96 52.99 1c9f s ALA 15 Cb -0.11 -0.80 1.45 0.00 0.00 0.00 0.00 23.12 23.66 1c9f s ALA 15 CO 0.53 -0.72 2.01 -0.07 0.00 0.00 0.00 175.76 177.52 1c9f h LEU 16 N 8.41 0.00 0.00 0.00 3.38 -1.84 -2.00 115.31 123.27 1c9f h LEU 16 Ca -0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1c9f h LEU 16 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1c9f h LEU 16 CO 0.19 0.00 0.00 1.57 0.09 0.00 0.00 178.44 180.29 1c9f n HIS 17 N -3.05 0.00 -3.12 1.13 -0.00 -1.26 -4.84 115.22 104.08 1c9f n HIS 17 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1c9f n HIS 17 Cb 0.28 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.15 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 -0.90 0.31 -2.18 0.26 2.88 -0.75 -5.07 113.62 108.17 1c9f n SER 18 Ca 0.19 -0.12 -0.18 0.00 -1.33 0.00 0.00 58.87 57.42 1c9f n SER 18 Cb 0.09 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.58 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 4.47 -3.00 -1.46 0.00 -1.26 -4.93 120.51 111.33 1c9f n ALA 19 Ca 0.00 -3.56 0.00 0.00 0.00 0.00 0.00 53.44 49.88 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 0.00 -3.31 0.00 2.85 -1.26 -2.50 118.16 113.94 1c9f n LYS 21 Ca 0.00 0.00 -0.11 0.00 -1.05 0.00 0.00 58.31 57.15 1c9f n LYS 21 Cb 0.00 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 34.33 1c9f n LYS 21 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 177.40 177.47 1c9f s PHE 22 N -2.80 -0.76 -0.90 5.58 5.36 -0.24 -4.89 117.98 119.33 1c9f s PHE 22 Ca 0.00 -0.45 -0.25 0.00 -0.96 0.00 0.00 56.93 55.27 1c9f s PHE 22 Cb 0.00 -0.17 -0.05 0.00 -0.34 0.00 0.00 43.02 42.45 1c9f s PHE 22 CO 0.00 -1.03 1.98 0.20 -1.46 0.00 0.00 175.22 174.90 1c9f s GLY 23 N 1.60 0.11 -0.01 13.12 0.00 -1.26 -1.75 107.32 119.13 1c9f s GLY 23 Ca 0.16 -1.46 -0.06 0.00 0.00 0.00 0.00 44.72 43.36 1c9f s GLY 23 CO -0.05 3.54 0.25 0.54 0.00 0.00 0.00 173.10 177.38 1c9f s VAL 24 N 10.43 5.33 0.07 1.40 0.11 -0.78 -4.89 120.40 132.07 1c9f s VAL 24 Ca 0.72 0.14 0.06 0.00 -2.93 0.00 0.00 61.98 59.97 1c9f s VAL 24 Cb -0.07 -3.55 -0.03 0.00 -1.53 0.00 0.00 36.38 31.20 1c9f s VAL 24 CO -0.00 0.39 -0.17 0.00 -3.33 0.00 0.00 175.10 171.99 1c9f s ALA 25 N -1.27 1.42 -0.17 1.54 0.00 -1.26 -0.79 121.76 121.23 1c9f s ALA 25 Ca 0.26 -1.03 -0.31 0.00 0.00 0.00 0.00 51.96 50.88 1c9f s ALA 25 Cb -0.13 -0.19 0.14 0.00 0.00 0.00 0.00 23.12 22.94 1c9f s ALA 25 CO 0.15 0.26 1.11 0.00 0.00 0.00 0.00 175.76 177.28 1c9f s ALA 26 N -1.08 -1.99 0.04 0.00 0.00 -0.47 -4.96 121.76 113.30 1c9f s ALA 26 Ca 0.02 1.56 -0.32 0.00 0.00 0.00 0.00 51.96 53.23 1c9f s ALA 26 Cb -0.09 -0.55 -0.18 0.00 0.00 0.00 0.00 23.12 22.30 1c9f s ALA 26 CO 0.03 -0.43 1.35 0.00 0.00 0.00 0.00 175.76 176.71 1c9f h ARG 27 N 2.23 -1.04 -5.71 0.00 3.08 -1.85 0.60 114.38 111.69 1c9f h ARG 27 Ca -0.14 0.07 -0.61 0.00 0.07 0.00 0.00 59.98 59.36 1c9f h ARG 27 Cb 1.18 0.24 -0.13 0.00 0.08 0.00 0.00 29.97 31.34 1c9f h ARG 27 CO 0.27 -0.68 0.90 -1.54 -1.07 0.00 0.00 179.97 177.85 1c9f s SER 28 N -4.31 6.32 0.47 7.04 1.04 -1.26 -4.28 113.70 118.72 1c9f s SER 28 Ca -0.17 -1.15 0.35 0.00 0.48 0.00 0.00 55.95 55.46 1c9f s SER 28 Cb 0.02 -2.48 1.50 0.00 0.10 0.00 0.00 66.02 65.16 1c9f s SER 28 CO 0.52 -1.48 1.63 0.00 0.98 0.00 0.00 173.24 174.89 1c9f h GLN 30 N 0.07 0.08 -0.03 0.00 4.15 -1.89 0.36 115.11 117.85 1c9f h GLN 30 Ca 0.82 -0.00 -0.17 0.00 0.77 0.00 0.00 58.65 60.06 1c9f h GLN 30 Cb 2.79 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 30.46 1c9f h GLN 30 CO -0.29 0.05 -0.75 1.49 -1.93 0.00 0.00 178.83 177.40 1c9f h GLU 31 N 0.08 0.22 -0.01 1.69 4.57 0.24 -2.72 114.58 118.66 1c9f h GLU 31 Ca 0.33 -0.20 -0.24 0.00 -1.18 0.00 0.00 59.36 58.07 1c9f h GLU 31 Cb 1.20 0.05 0.01 0.00 -0.16 0.00 0.00 28.75 29.85 1c9f h GLU 31 CO -0.03 0.87 -0.98 -0.07 -1.18 0.00 0.00 179.01 177.63 1c9f h LEU 32 N 0.14 0.69 0.71 1.64 3.38 -0.37 -2.28 115.31 119.23 1c9f h LEU 32 Ca -0.03 -0.55 -0.03 0.00 0.09 0.00 0.00 57.88 57.36 1c9f h LEU 32 Cb 1.33 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 41.87 1c9f h LEU 32 CO 0.12 1.35 -0.34 -0.07 0.09 0.00 0.00 178.44 179.59 1c9f h LEU 33 N 0.31 -0.81 0.44 1.67 3.38 -1.05 0.14 115.31 119.39 1c9f h LEU 33 Ca -0.10 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1c9f h LEU 33 Cb 1.62 0.21 -0.02 0.00 0.09 0.00 0.00 40.66 42.55 1c9f h LEU 33 CO 0.18 -0.46 -0.45 -0.09 0.09 0.00 0.00 178.44 177.71 1c9f h ARG 34 N -1.19 -0.87 -0.91 1.13 1.12 -1.61 -0.27 114.38 111.78 1c9f h ARG 34 Ca -0.10 0.06 0.23 0.00 -1.11 0.00 0.00 59.98 59.06 1c9f h ARG 34 Cb 0.73 0.20 -0.06 0.00 -0.01 0.00 0.00 29.97 30.83 1c9f h ARG 34 CO 0.16 -0.58 0.62 0.87 -3.11 0.00 0.00 179.97 177.93 1c9f h LYS 35 N -0.90 0.22 0.18 0.20 1.57 -1.48 0.05 116.57 116.40 1c9f h LYS 35 Ca -0.05 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1c9f h LYS 35 Cb 0.80 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.06 1c9f h LYS 35 CO -0.07 0.15 -0.08 0.78 -0.57 0.00 0.00 179.45 179.65 1c9f h GLY 36 N 0.23 -0.25 2.00 3.86 0.00 0.10 -1.24 103.07 107.77 1c9f h GLY 36 Ca 0.46 0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.88 1c9f h GLY 36 CO -0.11 -0.09 0.00 0.00 0.00 0.00 0.00 176.54 176.34 1c9f h VAL 38 N 0.00 1.67 0.01 0.00 2.07 -0.58 0.19 116.25 119.61 1c9f h VAL 38 Ca 0.00 -2.30 -0.21 0.00 0.82 0.00 0.00 66.70 65.02 1c9f h VAL 38 Cb 0.07 3.20 -0.01 0.00 -1.52 0.00 0.00 31.29 33.03 1c9f h VAL 38 CO 0.00 0.62 -0.91 -0.09 0.02 0.00 0.00 177.57 177.21 1c9f h ARG 39 N -0.73 0.22 0.00 1.57 9.65 -0.82 -3.15 114.38 121.12 1c9f h ARG 39 Ca -0.04 -0.25 0.00 0.00 -1.10 0.00 0.00 59.98 58.59 1c9f h ARG 39 Cb 1.16 0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.81 1c9f h ARG 39 CO 0.05 0.99 -0.60 1.19 2.80 0.00 0.00 179.97 184.39 1c9f n PHE 40 N -3.65 0.25 -3.02 2.20 3.01 0.56 -5.01 117.46 111.79 1c9f n PHE 40 Ca -0.04 0.07 -0.13 0.00 1.01 0.00 0.00 57.45 58.36 1c9f n PHE 40 Cb 0.83 -0.43 0.01 0.00 -0.01 0.00 0.00 39.48 39.88 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 -1.79 -2.28 -4.06 -1.08 -0.06 0.63 -4.97 117.38 103.77 1c9f n GLN 41 Ca 0.04 1.95 -0.32 0.00 -2.00 0.00 0.00 57.00 56.67 1c9f n GLN 41 Cb 0.39 -4.24 -0.15 0.00 -4.06 0.00 0.00 30.24 22.17 1c9f n GLN 41 CO 0.00 0.00 0.00 -1.17 -0.20 0.00 0.00 177.06 175.69 1c9f s LEU 42 N -2.22 3.56 0.96 1.69 1.98 -0.97 -5.02 118.68 118.66 1c9f s LEU 42 Ca 0.21 -1.48 -0.13 0.00 -2.89 0.00 0.00 54.13 49.84 1c9f s LEU 42 Cb -0.04 -1.54 0.17 0.00 0.66 0.00 0.00 46.19 45.43 1c9f s LEU 42 CO 0.72 -0.22 1.12 -2.16 -1.89 0.00 0.00 176.35 173.93 1c9f s PRO 43 N 1.09 0.74 -0.13 0.98 0.04 -1.26 -4.99 135.00 131.47 1c9f s PRO 43 Ca -0.06 0.33 -0.28 0.00 0.04 0.00 0.00 61.00 61.02 1c9f s PRO 43 Cb -0.20 -1.79 -0.25 0.00 0.04 0.00 0.00 34.50 32.30 1c9f s PRO 43 CO -0.05 -2.47 0.79 1.98 0.04 0.00 0.00 177.00 177.28 1c9f h MET 44 N -1.70 -0.00 -7.30 4.56 4.05 -1.99 -3.40 114.93 109.15 1c9f h MET 44 Ca -0.52 0.00 -0.50 0.00 -0.28 0.00 0.00 59.70 58.40 1c9f h MET 44 Cb 1.33 0.00 0.07 0.00 -0.80 0.00 0.00 31.60 32.20 1c9f h MET 44 CO 0.59 0.95 0.38 -1.25 0.23 0.00 0.00 176.91 177.81 1c9f s PRO 45 N -2.34 3.28 -1.23 0.39 0.04 -1.26 -3.55 135.00 130.33 1c9f s PRO 45 Ca -0.18 0.96 -0.13 0.00 0.04 0.00 0.00 61.00 61.69 1c9f s PRO 45 Cb -0.03 -2.04 0.12 0.00 0.04 0.00 0.00 34.50 32.60 1c9f s PRO 45 CO 0.68 -0.83 0.44 0.41 0.04 0.00 0.00 177.00 177.74 1c9f n GLY 46 N -1.90 -0.46 3.25 0.56 0.00 -1.26 -4.89 105.19 100.48 1c9f n GLY 46 Ca 0.07 0.07 -0.14 0.00 0.00 0.00 0.00 46.02 46.02 1c9f n GLY 46 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1c9f s SER 47 N -2.77 0.68 0.00 1.61 0.15 -1.23 -2.21 113.70 109.92 1c9f s SER 47 Ca 0.48 -1.35 0.00 0.00 0.70 0.00 0.00 55.95 55.78 1c9f s SER 47 Cb -0.27 0.26 0.00 0.00 -1.71 0.00 0.00 66.02 64.30 1c9f s SER 47 CO 0.59 -0.76 0.00 0.54 1.20 0.00 0.00 173.24 174.81 1c9f n ARG 48 N -0.33 0.00 -3.46 5.44 1.74 0.11 -4.64 116.66 115.52 1c9f n ARG 48 Ca -0.00 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.65 1c9f n ARG 48 Cb 0.66 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 32.00 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 4.95 0.46 0.55 1.43 -0.36 -1.35 118.68 124.36 1c9f s LEU 49 Ca 0.00 -0.76 0.04 0.00 -1.03 0.00 0.00 54.13 52.38 1c9f s LEU 49 Cb 0.00 -2.18 0.01 0.00 0.03 0.00 0.00 46.19 44.05 1c9f s LEU 49 CO 0.00 -0.41 0.65 0.00 0.23 0.00 0.00 176.35 176.82 1c9f s LEU 51 N -4.52 4.35 0.28 0.00 1.02 0.76 -0.60 118.68 119.98 1c9f s LEU 51 Ca 0.54 -0.20 0.21 0.00 0.02 0.00 0.00 54.13 54.69 1c9f s LEU 51 Cb -0.10 -2.24 1.05 0.00 0.02 0.00 0.00 46.19 44.92 1c9f s LEU 51 CO 0.36 -0.24 1.63 0.00 0.02 0.00 0.00 176.35 178.12 1c9f n TYR 52 N 5.23 0.70 0.10 0.29 9.36 -0.20 -1.82 117.16 130.82 1c9f n TYR 52 Ca -0.11 0.34 -0.13 0.00 3.32 0.00 0.00 57.90 61.32 1c9f n TYR 52 Cb 0.50 -1.05 -0.06 0.00 -0.63 0.00 0.00 39.34 38.10 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 -0.56 -0.41 2.98 4.22 -1.92 -3.36 114.58 115.53 1c9f h GLU 53 Ca 0.00 0.04 -0.25 0.00 0.08 0.00 0.00 59.36 59.23 1c9f h GLU 53 Cb 0.08 0.13 -0.32 0.00 0.50 0.00 0.00 28.75 29.14 1c9f h GLU 53 CO 0.00 -0.37 -0.88 -3.47 -2.18 0.00 0.00 179.01 172.11 1c9f n ASP 54 N -5.44 0.55 -2.88 1.04 2.03 -1.15 -4.39 116.55 106.31 1c9f n ASP 54 Ca -0.06 -2.25 -0.22 0.00 0.52 0.00 0.00 54.79 52.78 1c9f n ASP 54 Cb 0.36 -0.09 0.02 0.00 -0.72 0.00 0.00 41.12 40.69 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 -0.70 -0.52 3.83 0.27 0.00 -0.75 -4.61 105.19 102.71 1c9f n GLY 55 Ca 0.01 0.10 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.14 3.32 -0.10 2.61 2.01 -0.90 -4.79 115.64 114.65 1c9f s THR 56 Ca 0.23 0.43 0.03 0.00 0.31 0.00 0.00 61.69 62.69 1c9f s THR 56 Cb -0.10 -3.26 -0.01 0.00 0.01 0.00 0.00 72.50 69.13 1c9f s THR 56 CO 0.29 -0.56 -0.19 -1.83 -0.69 0.00 0.00 174.62 171.64 1c9f s GLU 57 N -5.22 3.05 0.32 4.92 -1.05 -1.26 -0.17 118.70 119.30 1c9f s GLU 57 Ca 0.60 -0.78 -0.07 0.00 -0.15 0.00 0.00 54.97 54.56 1c9f s GLU 57 Cb -0.13 -2.42 0.01 0.00 -0.44 0.00 0.00 34.13 31.15 1c9f s GLU 57 CO 0.53 0.27 0.53 0.08 0.95 0.00 0.00 175.26 177.62 1c9f s VAL 58 N 0.15 0.00 0.23 1.83 1.01 0.59 -4.86 120.40 119.34 1c9f s VAL 58 Ca -0.10 -1.45 0.04 0.00 0.00 0.00 0.00 61.98 60.47 1c9f s VAL 58 Cb -0.16 -2.57 -0.05 0.00 0.00 0.00 0.00 36.38 33.60 1c9f s VAL 58 CO 0.06 0.00 -0.02 0.42 0.00 0.00 0.00 175.10 175.56 1c9f s THR 59 N -3.18 1.10 -0.80 3.92 -4.23 -1.24 -1.22 115.64 109.97 1c9f s THR 59 Ca 0.26 -2.04 0.19 0.00 -1.18 0.00 0.00 61.69 58.92 1c9f s THR 59 Cb -0.01 -2.32 0.18 0.00 1.34 0.00 0.00 72.50 71.69 1c9f s THR 59 CO 0.16 -0.35 1.59 -0.90 -0.54 0.00 0.00 174.62 174.58 1c9f n ASP 60 N -0.42 0.27 -0.46 3.99 5.75 -1.26 -2.41 116.55 122.01 1c9f n ASP 60 Ca -0.05 0.56 0.07 0.00 -0.01 0.00 0.00 54.79 55.36 1c9f n ASP 60 Cb 0.64 -0.62 0.03 0.00 -1.03 0.00 0.00 41.12 40.13 1c9f n ASP 60 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1c9f n ASP 61 N -1.80 1.88 -0.11 -1.12 8.00 -1.26 -4.56 116.55 117.59 1c9f n ASP 61 Ca 0.03 -1.44 -0.15 0.00 0.71 0.00 0.00 54.79 53.94 1c9f n ASP 61 Cb 0.21 0.24 -0.10 0.00 -0.02 0.00 0.00 41.12 41.45 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 -3.12 0.58 0.00 0.00 3.72 -1.09 -4.80 117.46 112.75 1c9f n PHE 63 Ca -0.39 0.37 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 1c9f n PHE 63 Cb 0.92 -2.39 0.00 0.00 -0.94 0.00 0.00 39.48 37.08 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 8.51 0.00 -3.34 -1.08 -0.04 -1.26 -4.81 135.00 132.98 1c9f n PRO 64 Ca 0.65 0.03 -0.26 0.00 -0.04 0.00 0.00 63.50 63.89 1c9f n PRO 64 Cb 0.04 -0.49 -0.08 0.00 -0.04 0.00 0.00 33.50 32.93 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 2.46 3.80 3.38 0.55 0.00 -1.26 -4.77 105.19 109.35 1c9f n GLY 65 Ca 0.00 -2.17 -0.33 0.00 0.00 0.00 0.00 46.02 43.52 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 1.23 -0.75 -4.71 0.99 4.77 -1.26 -4.97 117.00 112.30 1c9f n LEU 66 Ca 0.26 0.25 -0.30 0.00 -0.03 0.00 0.00 56.01 56.19 1c9f n LEU 66 Cb 0.46 -1.15 0.23 0.00 -2.33 0.00 0.00 43.42 40.63 1c9f n LEU 66 CO 0.29 -3.63 0.72 -2.16 -1.33 0.00 0.00 177.39 171.27 1c9f s PRO 67 N -3.55 -0.74 0.66 3.23 0.04 -1.26 -4.89 135.00 128.49 1c9f s PRO 67 Ca 0.56 -0.26 -0.18 0.00 0.04 0.00 0.00 61.00 61.17 1c9f s PRO 67 Cb -0.19 -1.67 -0.01 0.00 0.04 0.00 0.00 34.50 32.67 1c9f s PRO 67 CO 0.68 -3.36 1.28 -1.71 0.04 0.00 0.00 177.00 173.93 1c9f n ASN 68 N -4.47 2.00 -4.16 6.66 2.85 -1.26 -2.06 115.26 114.82 1c9f n ASN 68 Ca 0.15 0.82 -0.36 0.00 -0.11 0.00 0.00 54.58 55.08 1c9f n ASN 68 Cb 0.60 -1.55 -0.04 0.00 1.24 0.00 0.00 39.78 40.02 1c9f n ASN 68 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 1c9f n ASP 69 N -1.94 -2.75 -4.27 1.20 -0.08 0.64 -4.63 116.55 104.71 1c9f n ASP 69 Ca 0.16 -0.95 -0.59 0.00 -1.51 0.00 0.00 54.79 51.90 1c9f n ASP 69 Cb 0.48 -2.30 -0.12 0.00 2.34 0.00 0.00 41.12 41.52 1c9f n ASP 69 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1c9f n ALA 70 N -4.09 0.28 -2.49 -1.67 0.00 -0.50 -3.86 120.51 108.19 1c9f n ALA 70 Ca 0.08 0.15 -0.40 0.00 0.00 0.00 0.00 53.44 53.28 1c9f n ALA 70 Cb 0.48 -2.12 -0.03 0.00 0.00 0.00 0.00 19.45 17.78 1c9f n ALA 70 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1c9f s GLU 71 N 6.13 3.28 0.12 0.00 -6.30 -1.26 -1.14 118.70 119.53 1c9f s GLU 71 Ca 1.20 -0.55 0.03 0.00 -2.50 0.00 0.00 54.97 53.15 1c9f s GLU 71 Cb -1.44 -4.73 -0.04 0.00 0.00 0.00 0.00 34.13 27.92 1c9f s GLU 71 CO 0.64 -2.29 0.15 -0.51 0.02 0.00 0.00 175.26 173.28 1c9f s LEU 72 N 5.91 3.96 -0.07 2.70 1.02 -0.73 -1.03 118.68 130.44 1c9f s LEU 72 Ca 0.44 0.01 0.00 0.00 0.02 0.00 0.00 54.13 54.60 1c9f s LEU 72 Cb -0.05 -2.59 0.02 0.00 0.02 0.00 0.00 46.19 43.60 1c9f s LEU 72 CO 0.04 0.11 -0.05 -0.22 0.02 0.00 0.00 176.35 176.25 1c9f s LEU 73 N -2.85 1.14 -0.09 1.79 0.20 0.24 -0.33 118.68 118.78 1c9f s LEU 73 Ca 0.32 -0.18 -0.30 0.00 0.69 0.00 0.00 54.13 54.65 1c9f s LEU 73 Cb -0.11 -0.60 -0.03 0.00 -0.43 0.00 0.00 46.19 45.02 1c9f s LEU 73 CO 0.24 -0.09 1.36 -0.22 -0.29 0.00 0.00 176.35 177.35 1c9f s LEU 74 N 1.35 4.25 0.06 -0.68 2.96 0.70 -1.94 118.68 125.38 1c9f s LEU 74 Ca -0.03 1.91 0.00 0.00 -0.22 0.00 0.00 54.13 55.78 1c9f s LEU 74 Cb -0.14 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.97 1c9f s LEU 74 CO -0.03 -0.76 -0.04 -0.22 -1.32 0.00 0.00 176.35 173.98 1c9f s LEU 75 N 3.19 2.43 0.38 -0.68 0.20 -0.46 -2.84 118.68 120.91 1c9f s LEU 75 Ca 0.60 -0.88 0.06 0.00 0.69 0.00 0.00 54.13 54.61 1c9f s LEU 75 Cb -0.26 0.09 -0.02 0.00 -0.43 0.00 0.00 46.19 45.56 1c9f s LEU 75 CO 0.21 -0.48 0.23 0.42 -0.29 0.00 0.00 176.35 176.43 1c9f s THR 76 N -3.22 0.22 0.57 3.68 -4.23 -1.26 0.05 115.64 111.46 1c9f s THR 76 Ca 0.03 -2.00 0.26 0.00 -1.18 0.00 0.00 61.69 58.80 1c9f s THR 76 Cb 0.03 -2.40 0.34 0.00 1.34 0.00 0.00 72.50 71.82 1c9f s THR 76 CO -0.06 0.00 2.17 0.00 -0.54 0.00 0.00 174.62 176.19 1c9f h ALA 77 N 1.93 1.76 -0.27 3.99 0.00 -1.70 0.13 119.26 125.09 1c9f h ALA 77 Ca -0.28 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1c9f h ALA 77 Cb 1.25 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1c9f h ALA 77 CO 0.43 -0.13 0.00 0.41 0.00 0.00 0.00 179.25 179.96 1c9f n GLY 78 N -1.41 1.73 3.27 0.00 0.00 -1.26 -4.87 105.19 102.64 1c9f n GLY 78 Ca -0.01 -0.39 -0.09 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.72 1.00 -0.17 1.61 0.41 0.44 -5.15 118.70 115.11 1c9f s GLU 79 Ca 0.23 -1.07 -0.19 0.00 -0.41 0.00 0.00 54.97 53.54 1c9f s GLU 79 Cb 0.17 0.36 0.05 0.00 -1.78 0.00 0.00 34.13 32.93 1c9f s GLU 79 CO 0.09 -0.34 0.52 0.99 -0.49 0.00 0.00 175.26 176.03 1c9f s THR 80 N -3.92 0.00 -0.16 3.63 2.01 -1.26 -4.45 115.64 111.50 1c9f s THR 80 Ca 0.11 -0.04 -0.00 0.00 0.31 0.00 0.00 61.69 62.07 1c9f s THR 80 Cb 0.04 -0.75 -0.00 0.00 0.01 0.00 0.00 72.50 71.80 1c9f s THR 80 CO -0.05 -0.02 -0.14 0.86 -0.69 0.00 0.00 174.62 174.57 1c9f s TRP 81 N 0.03 2.80 0.04 4.92 -0.00 -1.26 -5.03 118.94 120.45 1c9f s TRP 81 Ca -0.02 -0.99 -0.33 0.00 -0.00 0.00 0.00 56.10 54.76 1c9f s TRP 81 Cb -0.04 -1.90 -0.18 0.00 -0.00 0.00 0.00 33.47 31.35 1c9f s TRP 81 CO 0.02 -0.45 1.39 1.25 -0.00 0.00 0.00 176.95 179.16 1c9f h HIS 82 N 7.31 -1.12 0.00 5.86 -0.00 -2.01 -3.48 115.15 121.72 1c9f h HIS 82 Ca -0.33 -0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.02 1c9f h HIS 82 Cb 1.19 0.37 0.00 0.00 -0.00 0.00 0.00 27.41 28.97 1c9f h HIS 82 CO 0.51 -0.69 0.00 0.41 -0.00 0.00 0.00 177.93 178.16 1c9f n GLY 83 N -1.29 4.24 3.64 5.26 0.00 -1.26 -4.62 105.19 111.15 1c9f n GLY 83 Ca -0.15 -1.30 -0.42 0.00 0.00 0.00 0.00 46.02 44.14 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 -1.35 1.44 0.30 1.61 5.04 -1.26 -4.73 117.35 118.40 1c9f s TYR 84 Ca 0.00 0.08 -0.20 0.00 -2.44 0.00 0.00 57.07 54.51 1c9f s TYR 84 Cb 0.00 -4.08 -0.09 0.00 0.35 0.00 0.00 41.96 38.14 1c9f s TYR 84 CO 0.00 -4.51 0.80 0.14 -1.34 0.00 0.00 175.55 170.65 1c9f s VAL 85 N 5.79 4.50 -0.62 3.14 -7.23 -1.26 -4.72 120.40 120.00 1c9f s VAL 85 Ca 0.88 1.33 0.03 0.00 -1.81 0.00 0.00 61.98 62.41 1c9f s VAL 85 Cb -0.36 -3.79 0.15 0.00 0.56 0.00 0.00 36.38 32.95 1c9f s VAL 85 CO 0.36 0.02 0.40 -0.44 -0.31 0.00 0.00 175.10 175.13 1c9f s SER 86 N -1.88 4.74 0.00 4.85 0.01 -1.26 -5.18 113.70 114.98 1c9f s SER 86 Ca 0.50 -3.31 0.11 0.00 1.31 0.00 0.00 55.95 54.56 1c9f s SER 86 Cb -0.14 -1.69 0.09 0.00 0.21 0.00 0.00 66.02 64.48 1c9f s SER 86 CO 0.19 -0.20 0.85 -0.90 0.41 0.00 0.00 173.24 173.59