#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 2.54 -3.51 0.00 0.00 -1.26 -5.00 120.51 113.29 1c9f n ALA 3 Ca 0.00 -2.97 -0.38 0.00 0.00 0.00 0.00 53.44 50.09 1c9f n ALA 3 Cb 0.00 -0.80 0.04 0.00 0.00 0.00 0.00 19.45 18.69 1c9f n ALA 3 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1c9f n VAL 4 N 2.81 -4.07 -3.22 0.00 0.31 -1.26 -4.89 118.33 108.01 1c9f n VAL 4 Ca 0.29 0.09 -0.39 0.00 -0.01 0.00 0.00 64.34 64.33 1c9f n VAL 4 Cb 0.49 -3.61 -0.06 0.00 -0.91 0.00 0.00 33.84 29.75 1c9f n VAL 4 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1c9f s LEU 5 N -2.59 4.50 -0.54 7.52 1.43 -1.26 -4.99 118.68 122.76 1c9f s LEU 5 Ca 0.36 1.27 0.03 0.00 -1.03 0.00 0.00 54.13 54.76 1c9f s LEU 5 Cb -0.04 -2.95 0.42 0.00 0.03 0.00 0.00 46.19 43.65 1c9f s LEU 5 CO 0.88 0.21 1.52 0.54 0.23 0.00 0.00 176.35 179.73 1c9f n ARG 6 N 2.02 3.19 0.00 1.70 5.12 -1.26 -4.91 116.66 122.51 1c9f n ARG 6 Ca -0.09 -3.97 0.00 0.00 -1.93 0.00 0.00 57.85 51.87 1c9f n ARG 6 Cb 0.51 -2.27 0.00 0.00 -1.16 0.00 0.00 32.46 29.54 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 -0.64 0.00 -2.38 5.56 1.13 -1.26 -5.13 117.38 114.66 1c9f n GLN 7 Ca 0.48 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 55.12 1c9f n GLN 7 Cb 0.64 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.96 1c9f n GLN 7 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 1c9f s PRO 8 N 0.00 4.35 0.48 -1.09 0.04 -1.26 -4.77 135.00 132.75 1c9f s PRO 8 Ca 0.00 1.78 -0.18 0.00 0.04 0.00 0.00 61.00 62.64 1c9f s PRO 8 Cb 0.00 -3.51 -0.09 0.00 0.04 0.00 0.00 34.50 30.94 1c9f s PRO 8 CO 0.00 -0.44 0.98 0.21 0.04 0.00 0.00 177.00 177.78 1c9f s LYS 9 N 2.00 4.03 0.12 4.56 2.47 0.05 -4.68 119.74 128.29 1c9f s LYS 9 Ca 0.59 1.04 0.09 0.00 -1.56 0.00 0.00 55.97 56.13 1c9f s LYS 9 Cb -0.28 -2.15 -0.04 0.00 -1.46 0.00 0.00 37.83 33.91 1c9f s LYS 9 CO 0.25 -0.20 -0.21 0.00 0.16 0.00 0.00 175.35 175.34 1c9f s VAL 11 N -1.32 0.01 -0.57 0.00 -7.23 0.07 0.20 120.40 111.56 1c9f s VAL 11 Ca 0.09 -0.06 -0.21 0.00 -1.81 0.00 0.00 61.98 60.00 1c9f s VAL 11 Cb -0.09 -0.42 0.07 0.00 0.56 0.00 0.00 36.38 36.50 1c9f s VAL 11 CO 0.05 -0.03 0.78 -0.54 -0.31 0.00 0.00 175.10 175.05 1c9f s LYS 12 N -0.00 3.13 -1.02 4.82 -0.14 0.56 -0.84 119.74 126.24 1c9f s LYS 12 Ca -0.01 -0.91 -0.23 0.00 -1.36 0.00 0.00 55.97 53.46 1c9f s LYS 12 Cb -0.02 -4.17 0.04 0.00 -1.68 0.00 0.00 37.83 31.99 1c9f s LYS 12 CO 0.01 -1.50 1.53 -1.17 -0.76 0.00 0.00 175.35 173.46 1c9f s LEU 13 N 3.19 3.47 0.30 3.17 2.96 -0.81 -2.17 118.68 128.79 1c9f s LEU 13 Ca 0.18 -1.40 -0.06 0.00 -0.22 0.00 0.00 54.13 52.64 1c9f s LEU 13 Cb -0.19 -2.57 -0.05 0.00 0.50 0.00 0.00 46.19 43.88 1c9f s LEU 13 CO 0.11 -1.66 0.58 -0.60 -1.32 0.00 0.00 176.35 173.46 1c9f s ARG 14 N 5.22 3.65 -0.13 1.98 6.06 0.25 0.97 118.95 136.95 1c9f s ARG 14 Ca 0.50 0.06 -0.04 0.00 -2.50 0.00 0.00 55.73 53.75 1c9f s ARG 14 Cb -0.01 -2.61 0.05 0.00 0.06 0.00 0.00 34.95 32.44 1c9f s ARG 14 CO -0.08 0.18 0.09 0.00 -2.50 0.00 0.00 175.30 172.99 1c9f s ALA 15 N -2.12 0.32 0.66 6.12 0.00 -1.04 -1.04 121.76 124.66 1c9f s ALA 15 Ca 0.45 -0.11 0.39 0.00 0.00 0.00 0.00 51.96 52.69 1c9f s ALA 15 Cb -0.11 -0.92 2.14 0.00 0.00 0.00 0.00 23.12 24.24 1c9f s ALA 15 CO 0.30 -0.96 2.24 -0.07 0.00 0.00 0.00 175.76 177.26 1c9f h LEU 16 N 8.42 0.00 -0.14 0.00 3.38 -1.89 0.40 115.31 125.48 1c9f h LEU 16 Ca -0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.83 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 0.25 0.00 -0.00 1.57 0.09 0.00 0.00 178.44 180.34 1c9f n HIS 17 N -3.14 0.00 -3.09 1.13 -0.00 -1.26 -4.84 115.22 104.01 1c9f n HIS 17 Ca -0.02 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.16 1c9f n HIS 17 Cb 0.17 -0.01 0.00 0.00 -0.12 0.00 0.00 29.99 30.03 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 -0.84 1.29 -0.64 0.26 2.88 0.14 -5.06 113.62 111.65 1c9f n SER 18 Ca 0.23 -0.09 0.06 0.00 -1.33 0.00 0.00 58.87 57.74 1c9f n SER 18 Cb 0.15 0.00 0.17 0.00 -0.75 0.00 0.00 64.21 63.78 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 3.30 -3.00 -1.46 0.00 -1.26 -4.92 120.51 110.17 1c9f n ALA 19 Ca 0.00 -3.07 0.00 0.00 0.00 0.00 0.00 53.44 50.37 1c9f n ALA 19 Cb 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 19.45 19.05 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 0.28 -3.62 0.00 2.85 -1.26 -2.49 118.16 113.92 1c9f n LYS 21 Ca 0.00 -2.01 -0.29 0.00 -1.05 0.00 0.00 58.31 54.95 1c9f n LYS 21 Cb 0.00 1.70 -0.13 0.00 -0.65 0.00 0.00 35.03 35.95 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 -2.98 1.46 -0.67 5.58 5.36 0.27 -4.85 117.98 122.15 1c9f s PHE 22 Ca 0.24 -2.03 -0.26 0.00 -0.96 0.00 0.00 56.93 53.92 1c9f s PHE 22 Cb 0.01 -1.50 -0.08 0.00 -0.34 0.00 0.00 43.02 41.11 1c9f s PHE 22 CO 0.17 -0.81 2.26 0.20 -1.46 0.00 0.00 175.22 175.58 1c9f s GLY 23 N 0.78 -0.40 0.01 13.12 0.00 -1.26 -1.92 107.32 117.65 1c9f s GLY 23 Ca 0.17 -0.59 -0.01 0.00 0.00 0.00 0.00 44.72 44.29 1c9f s GLY 23 CO -0.03 3.98 0.15 0.54 0.00 0.00 0.00 173.10 177.75 1c9f s VAL 24 N 12.39 5.17 0.06 1.40 0.11 -0.02 -4.87 120.40 134.64 1c9f s VAL 24 Ca 0.87 -0.32 0.06 0.00 -2.93 0.00 0.00 61.98 59.66 1c9f s VAL 24 Cb -0.13 -3.44 -0.03 0.00 -1.53 0.00 0.00 36.38 31.25 1c9f s VAL 24 CO 0.15 0.27 -0.17 0.00 -3.33 0.00 0.00 175.10 172.02 1c9f s ALA 25 N -1.34 1.43 -0.16 1.54 0.00 -1.26 -0.75 121.76 121.21 1c9f s ALA 25 Ca 0.28 -1.01 -0.30 0.00 0.00 0.00 0.00 51.96 50.93 1c9f s ALA 25 Cb -0.13 -0.20 0.13 0.00 0.00 0.00 0.00 23.12 22.92 1c9f s ALA 25 CO 0.20 0.27 1.03 0.00 0.00 0.00 0.00 175.76 177.26 1c9f s ALA 26 N -1.03 -1.95 0.05 0.00 0.00 0.30 -4.95 121.76 114.18 1c9f s ALA 26 Ca 0.03 1.58 -0.30 0.00 0.00 0.00 0.00 51.96 53.27 1c9f s ALA 26 Cb -0.09 -0.71 -0.18 0.00 0.00 0.00 0.00 23.12 22.15 1c9f s ALA 26 CO 0.02 -0.33 1.51 0.00 0.00 0.00 0.00 175.76 176.96 1c9f h ARG 27 N 2.47 -0.71 -5.89 0.00 2.47 -1.86 0.17 114.38 111.03 1c9f h ARG 27 Ca -0.17 0.05 -0.60 0.00 -1.26 0.00 0.00 59.98 58.00 1c9f h ARG 27 Cb 1.17 0.16 -0.11 0.00 -1.65 0.00 0.00 29.97 29.54 1c9f h ARG 27 CO 0.30 -0.43 0.96 -1.54 0.56 0.00 0.00 179.97 179.82 1c9f s SER 28 N -4.61 6.28 0.56 7.04 1.04 -1.26 -4.30 113.70 118.45 1c9f s SER 28 Ca -0.16 -0.98 0.47 0.00 0.48 0.00 0.00 55.95 55.76 1c9f s SER 28 Cb 0.03 -2.50 1.66 0.00 0.10 0.00 0.00 66.02 65.31 1c9f s SER 28 CO 0.59 -1.57 1.59 0.00 0.98 0.00 0.00 173.24 174.83 1c9f h GLN 30 N 0.00 0.00 -0.04 0.00 1.08 -1.89 -2.32 115.11 111.95 1c9f h GLN 30 Ca 0.86 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.98 1c9f h GLN 30 Cb 3.51 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 30.95 1c9f h GLN 30 CO -0.01 0.01 -0.28 1.49 -0.95 0.00 0.00 178.83 179.09 1c9f h GLU 31 N 0.00 0.25 -0.84 1.46 4.57 0.26 -2.35 114.58 117.93 1c9f h GLU 31 Ca -0.00 -0.22 0.01 0.00 -1.18 0.00 0.00 59.36 57.97 1c9f h GLU 31 Cb 0.02 0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.62 1c9f h GLU 31 CO 0.00 0.89 0.55 -0.07 -1.18 0.00 0.00 179.01 179.21 1c9f h LEU 32 N -0.31 0.95 0.33 1.64 3.38 -1.52 0.48 115.31 120.25 1c9f h LEU 32 Ca -0.02 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1c9f h LEU 32 Cb 0.96 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1c9f h LEU 32 CO 0.06 0.68 -0.16 -0.07 0.09 0.00 0.00 178.44 179.04 1c9f h LEU 33 N 1.11 -0.37 0.36 1.67 3.38 -1.50 0.13 115.31 120.09 1c9f h LEU 33 Ca 0.31 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 1c9f h LEU 33 Cb -0.09 0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1c9f h LEU 33 CO -0.07 0.00 -0.20 0.03 0.09 0.00 0.00 178.44 178.29 1c9f h ARG 34 N -0.80 -0.50 -0.95 1.13 2.47 -1.22 0.15 114.38 114.66 1c9f h ARG 34 Ca -0.04 0.03 0.27 0.00 -1.26 0.00 0.00 59.98 58.98 1c9f h ARG 34 Cb 0.52 0.11 -0.04 0.00 -1.65 0.00 0.00 29.97 28.91 1c9f h ARG 34 CO 0.07 -0.33 0.71 0.87 0.56 0.00 0.00 179.97 181.85 1c9f h LYS 35 N -0.52 0.00 0.18 0.04 1.57 -1.02 0.70 116.57 117.52 1c9f h LYS 35 Ca -0.05 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1c9f h LYS 35 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.72 1c9f h LYS 35 CO 0.06 0.00 -0.09 0.78 -0.57 0.00 0.00 179.45 179.64 1c9f h GLY 36 N 0.00 -0.25 1.75 3.86 0.00 0.12 -1.50 103.07 107.06 1c9f h GLY 36 Ca 0.45 0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.87 1c9f h GLY 36 CO -0.00 -0.09 0.11 0.00 0.00 0.00 0.00 176.54 176.55 1c9f h VAL 38 N 0.00 0.53 -0.29 0.00 2.07 -0.88 0.27 116.25 117.94 1c9f h VAL 38 Ca 0.00 -1.47 -0.03 0.00 0.82 0.00 0.00 66.70 66.01 1c9f h VAL 38 Cb 0.21 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 1c9f h VAL 38 CO 0.00 0.18 0.03 0.03 0.02 0.00 0.00 177.57 177.83 1c9f h ARG 39 N -1.00 0.43 0.00 1.57 2.47 -0.83 -2.11 114.38 114.91 1c9f h ARG 39 Ca -0.06 -0.07 0.00 0.00 -1.26 0.00 0.00 59.98 58.59 1c9f h ARG 39 Cb 0.55 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 28.80 1c9f h ARG 39 CO -0.03 0.44 -0.94 1.19 0.56 0.00 0.00 179.97 181.19 1c9f n PHE 40 N -4.34 0.19 -2.94 3.04 3.01 0.14 -5.03 117.46 111.52 1c9f n PHE 40 Ca 0.01 0.05 -0.09 0.00 1.01 0.00 0.00 57.45 58.43 1c9f n PHE 40 Cb 0.20 -0.35 0.01 0.00 -0.01 0.00 0.00 39.48 39.33 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 -1.83 -2.45 -3.82 -1.08 6.02 0.83 -4.98 117.38 110.07 1c9f n GLN 41 Ca 0.03 2.09 -0.30 0.00 -0.01 0.00 0.00 57.00 58.81 1c9f n GLN 41 Cb 0.41 -4.55 -0.14 0.00 1.02 0.00 0.00 30.24 26.97 1c9f n GLN 41 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1c9f s LEU 42 N -2.11 3.17 0.03 1.08 1.98 -0.52 -4.99 118.68 117.33 1c9f s LEU 42 Ca 0.16 -2.12 -0.30 0.00 -2.89 0.00 0.00 54.13 48.98 1c9f s LEU 42 Cb -0.04 -1.17 -0.06 0.00 0.66 0.00 0.00 46.19 45.59 1c9f s LEU 42 CO 0.71 -0.36 1.32 -2.16 -1.89 0.00 0.00 176.35 173.97 1c9f s PRO 43 N 0.98 4.34 0.23 0.98 0.04 -1.26 -4.91 135.00 135.39 1c9f s PRO 43 Ca 0.13 1.90 -0.16 0.00 0.04 0.00 0.00 61.00 62.90 1c9f s PRO 43 Cb -0.20 -3.44 0.26 0.00 0.04 0.00 0.00 34.50 31.16 1c9f s PRO 43 CO -0.13 -0.44 1.56 0.52 0.04 0.00 0.00 177.00 178.55 1c9f h MET 44 N 7.28 -0.03 -7.44 4.56 2.86 -1.99 -3.27 114.93 116.91 1c9f h MET 44 Ca -0.39 0.00 -0.49 0.00 -2.06 0.00 0.00 59.70 56.76 1c9f h MET 44 Cb 1.19 0.01 0.09 0.00 0.06 0.00 0.00 31.60 32.95 1c9f h MET 44 CO 0.87 -0.02 0.38 -1.25 1.06 0.00 0.00 176.91 177.95 1c9f s PRO 45 N -6.02 2.60 -0.42 -0.22 0.04 -1.26 -3.65 135.00 126.07 1c9f s PRO 45 Ca -0.14 0.57 -0.02 0.00 0.04 0.00 0.00 61.00 61.45 1c9f s PRO 45 Cb 0.21 -1.98 0.02 0.00 0.04 0.00 0.00 34.50 32.78 1c9f s PRO 45 CO 0.72 -1.24 0.06 0.41 0.04 0.00 0.00 177.00 176.99 1c9f n GLY 46 N -2.59 -0.49 2.94 0.56 0.00 -1.26 -4.80 105.19 99.55 1c9f n GLY 46 Ca 0.07 0.01 -0.05 0.00 0.00 0.00 0.00 46.02 46.05 1c9f n GLY 46 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1c9f n SER 47 N -1.66 -1.60 0.00 1.61 2.88 -1.23 -4.11 113.62 109.50 1c9f n SER 47 Ca -0.03 -2.02 0.00 0.00 -1.33 0.00 0.00 58.87 55.49 1c9f n SER 47 Cb 0.53 2.65 0.00 0.00 -0.75 0.00 0.00 64.21 66.64 1c9f n SER 47 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1c9f n ARG 48 N -0.47 0.00 -4.42 -1.46 5.12 0.92 -4.76 116.66 111.59 1c9f n ARG 48 Ca -0.05 0.00 -0.22 0.00 -1.93 0.00 0.00 57.85 55.66 1c9f n ARG 48 Cb 0.46 0.00 -0.10 0.00 -1.16 0.00 0.00 32.46 31.66 1c9f n ARG 48 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1c9f s LEU 49 N 0.00 2.58 -0.11 0.55 1.43 -0.73 -0.75 118.68 121.66 1c9f s LEU 49 Ca 0.00 -1.03 -0.09 0.00 -1.03 0.00 0.00 54.13 51.98 1c9f s LEU 49 Cb 0.00 -0.91 0.03 0.00 0.03 0.00 0.00 46.19 45.34 1c9f s LEU 49 CO 0.00 -0.05 0.28 0.00 0.23 0.00 0.00 176.35 176.81 1c9f s LEU 51 N 0.24 4.32 0.14 0.00 1.02 0.54 -1.39 118.68 123.55 1c9f s LEU 51 Ca -0.01 2.22 0.19 0.00 0.02 0.00 0.00 54.13 56.55 1c9f s LEU 51 Cb -0.03 -3.54 0.81 0.00 0.02 0.00 0.00 46.19 43.46 1c9f s LEU 51 CO -0.00 -0.91 1.59 0.00 0.02 0.00 0.00 176.35 177.05 1c9f n TYR 52 N 7.01 0.45 -0.33 0.29 4.19 -0.88 -1.74 117.16 126.14 1c9f n TYR 52 Ca 0.17 0.18 0.03 0.00 3.31 0.00 0.00 57.90 61.59 1c9f n TYR 52 Cb 0.43 -0.79 0.18 0.00 0.49 0.00 0.00 39.34 39.65 1c9f n TYR 52 CO 0.00 0.00 0.00 1.49 0.91 0.00 0.00 176.86 179.26 1c9f h GLU 53 N 0.00 0.95 -0.12 2.98 4.57 -1.89 -3.34 114.58 117.72 1c9f h GLU 53 Ca 0.00 -0.06 -0.19 0.00 -1.18 0.00 0.00 59.36 57.93 1c9f h GLU 53 Cb 0.30 -0.21 -0.22 0.00 -0.16 0.00 0.00 28.75 28.46 1c9f h GLU 53 CO 0.00 0.63 -0.50 -3.47 -1.18 0.00 0.00 179.01 174.48 1c9f n ASP 54 N -4.63 -0.65 -2.39 1.04 -0.08 -1.16 -4.58 116.55 104.10 1c9f n ASP 54 Ca 0.15 -2.17 -0.18 0.00 -1.51 0.00 0.00 54.79 51.07 1c9f n ASP 54 Cb 0.25 0.38 -0.01 0.00 2.34 0.00 0.00 41.12 44.07 1c9f n ASP 54 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1c9f n GLY 55 N -1.28 -0.44 3.81 0.27 0.00 -0.72 -4.74 105.19 102.08 1c9f n GLY 55 Ca -0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.90 3.72 -0.10 2.61 2.01 -0.71 -4.81 115.64 115.45 1c9f s THR 56 Ca 0.00 0.56 0.01 0.00 0.31 0.00 0.00 61.69 62.57 1c9f s THR 56 Cb 0.00 -3.26 -0.02 0.00 0.01 0.00 0.00 72.50 69.23 1c9f s THR 56 CO 0.00 -0.73 -0.15 -1.83 -0.69 0.00 0.00 174.62 171.22 1c9f s GLU 57 N -5.05 3.08 0.31 4.92 -1.05 -1.26 -0.34 118.70 119.31 1c9f s GLU 57 Ca 0.59 -0.71 -0.15 0.00 -0.15 0.00 0.00 54.97 54.55 1c9f s GLU 57 Cb -0.15 -2.52 0.02 0.00 -0.44 0.00 0.00 34.13 31.05 1c9f s GLU 57 CO 0.55 0.33 0.65 0.08 0.95 0.00 0.00 175.26 177.83 1c9f s VAL 58 N 0.03 0.00 0.23 1.83 1.01 0.70 -4.84 120.40 119.36 1c9f s VAL 58 Ca -0.05 -1.17 0.10 0.00 0.00 0.00 0.00 61.98 60.87 1c9f s VAL 58 Cb -0.14 -2.38 -0.05 0.00 0.00 0.00 0.00 36.38 33.81 1c9f s VAL 58 CO 0.04 0.00 -0.19 0.42 0.00 0.00 0.00 175.10 175.38 1c9f s THR 59 N -3.37 2.16 -0.08 3.92 -4.23 -1.26 -1.77 115.64 111.02 1c9f s THR 59 Ca 0.17 -2.25 0.27 0.00 -1.18 0.00 0.00 61.69 58.71 1c9f s THR 59 Cb -0.04 -2.15 0.28 0.00 1.34 0.00 0.00 72.50 71.93 1c9f s THR 59 CO 0.10 -0.42 1.83 -2.24 -0.54 0.00 0.00 174.62 173.36 1c9f h ASP 60 N 2.57 0.00 -0.02 3.99 2.03 -1.94 -0.61 116.42 122.44 1c9f h ASP 60 Ca -0.40 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.90 1c9f h ASP 60 Cb 1.24 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.74 1c9f h ASP 60 CO 0.58 0.00 -0.13 -0.67 -1.03 0.00 0.00 179.24 177.99 1c9f n ASP 61 N -2.48 2.51 -0.12 4.15 2.03 -1.26 -4.44 116.55 116.94 1c9f n ASP 61 Ca -0.01 -1.76 -0.19 0.00 0.52 0.00 0.00 54.79 53.36 1c9f n ASP 61 Cb 0.11 0.15 -0.11 0.00 -0.72 0.00 0.00 41.12 40.55 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 -3.36 0.51 0.06 0.00 3.72 -0.99 -4.76 117.46 112.63 1c9f n PHE 63 Ca -0.45 0.35 -0.10 0.00 -0.05 0.00 0.00 57.45 57.20 1c9f n PHE 63 Cb 0.95 -2.20 -0.07 0.00 -0.94 0.00 0.00 39.48 37.22 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 11.69 -0.23 0.00 -1.08 0.13 -1.93 -3.45 132.00 137.13 1c9f h PRO 64 Ca -0.04 0.02 -0.17 0.00 -0.87 0.00 0.00 66.00 64.93 1c9f h PRO 64 Cb 1.27 0.05 -0.14 0.00 0.13 0.00 0.00 31.00 32.32 1c9f h PRO 64 CO 1.38 0.16 -0.33 0.41 -0.23 0.00 0.00 178.00 179.39 1c9f n GLY 65 N 0.71 -0.50 3.27 1.56 0.00 -1.26 -4.86 105.19 104.11 1c9f n GLY 65 Ca -0.07 0.41 -0.34 0.00 0.00 0.00 0.00 46.02 46.02 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 1.43 -2.27 -4.74 0.99 4.32 -1.26 -4.93 117.00 110.54 1c9f n LEU 66 Ca 0.06 0.26 -0.30 0.00 -0.02 0.00 0.00 56.01 56.02 1c9f n LEU 66 Cb 0.66 -1.04 0.13 0.00 -1.62 0.00 0.00 43.42 41.55 1c9f n LEU 66 CO -0.02 -4.43 0.68 -2.16 -1.22 0.00 0.00 177.39 170.24 1c9f s PRO 67 N -3.06 1.36 0.55 3.23 0.04 -1.26 -4.82 135.00 131.04 1c9f s PRO 67 Ca 0.51 0.73 -0.18 0.00 0.04 0.00 0.00 61.00 62.10 1c9f s PRO 67 Cb -0.19 -1.83 -0.12 0.00 0.04 0.00 0.00 34.50 32.40 1c9f s PRO 67 CO 0.73 -2.15 0.19 -1.71 0.04 0.00 0.00 177.00 174.10 1c9f n ASN 68 N -3.81 -2.40 -3.46 6.66 5.15 -1.26 -0.60 115.26 115.55 1c9f n ASN 68 Ca 0.07 0.68 -0.24 0.00 -0.60 0.00 0.00 54.58 54.49 1c9f n ASN 68 Cb 0.56 -1.01 -0.01 0.00 -0.53 0.00 0.00 39.78 38.78 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 1.48 -3.24 -4.66 1.20 8.00 0.54 -4.79 116.55 115.09 1c9f n ASP 69 Ca 0.10 -0.44 -0.50 0.00 0.71 0.00 0.00 54.79 54.66 1c9f n ASP 69 Cb 0.48 -2.71 -0.05 0.00 -0.02 0.00 0.00 41.12 38.82 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 -3.52 0.39 -2.49 2.24 0.00 0.23 -4.18 120.51 113.18 1c9f n ALA 70 Ca 0.01 0.41 -0.43 0.00 0.00 0.00 0.00 53.44 53.43 1c9f n ALA 70 Cb 0.52 -2.30 -0.09 0.00 0.00 0.00 0.00 19.45 17.59 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 2.05 3.13 -0.03 0.00 8.01 -1.26 -0.33 118.70 130.27 1c9f s GLU 71 Ca 0.87 -0.71 0.04 0.00 0.01 0.00 0.00 54.97 55.19 1c9f s GLU 71 Cb -0.82 -3.96 -0.03 0.00 -4.31 0.00 0.00 34.13 25.01 1c9f s GLU 71 CO 0.48 -0.86 -0.15 -0.51 0.01 0.00 0.00 175.26 174.24 1c9f s LEU 72 N 2.20 2.72 0.10 1.80 2.01 -0.92 -2.08 118.68 124.51 1c9f s LEU 72 Ca 0.13 -0.24 0.08 0.00 0.01 0.00 0.00 54.13 54.11 1c9f s LEU 72 Cb -0.17 -1.56 -0.04 0.00 0.01 0.00 0.00 46.19 44.43 1c9f s LEU 72 CO 0.14 0.32 -0.17 -0.22 1.01 0.00 0.00 176.35 177.43 1c9f s LEU 73 N -0.91 2.72 0.25 1.79 0.20 -0.49 -0.58 118.68 121.66 1c9f s LEU 73 Ca 0.12 -0.52 -0.16 0.00 0.69 0.00 0.00 54.13 54.26 1c9f s LEU 73 Cb -0.11 -1.57 -0.08 0.00 -0.43 0.00 0.00 46.19 44.00 1c9f s LEU 73 CO 0.02 0.19 0.68 -0.22 -0.29 0.00 0.00 176.35 176.73 1c9f s LEU 74 N -2.04 4.22 0.10 -0.68 2.96 -0.20 -2.33 118.68 120.71 1c9f s LEU 74 Ca 0.18 1.26 -0.24 0.00 -0.22 0.00 0.00 54.13 55.11 1c9f s LEU 74 Cb -0.11 -3.72 0.06 0.00 0.50 0.00 0.00 46.19 42.93 1c9f s LEU 74 CO 0.10 -0.05 0.59 -0.22 -1.32 0.00 0.00 176.35 175.45 1c9f s LEU 75 N -2.42 -0.44 0.29 -0.68 0.20 0.08 -3.74 118.68 111.96 1c9f s LEU 75 Ca 0.47 0.16 -0.11 0.00 0.69 0.00 0.00 54.13 55.33 1c9f s LEU 75 Cb -0.14 2.46 0.01 0.00 -0.43 0.00 0.00 46.19 48.09 1c9f s LEU 75 CO 0.19 -0.85 0.53 0.42 -0.29 0.00 0.00 176.35 176.36 1c9f s THR 76 N -3.01 0.00 0.41 3.68 -4.23 -1.25 -0.05 115.64 111.19 1c9f s THR 76 Ca -0.02 -1.39 0.23 0.00 -1.18 0.00 0.00 61.69 59.33 1c9f s THR 76 Cb -0.01 -2.39 0.43 0.00 1.34 0.00 0.00 72.50 71.87 1c9f s THR 76 CO -0.06 0.00 1.72 0.00 -0.54 0.00 0.00 174.62 175.74 1c9f h ALA 77 N 2.17 2.42 -0.26 3.99 0.00 -1.86 1.59 119.26 127.31 1c9f h ALA 77 Ca -0.27 0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 1c9f h ALA 77 Cb 1.25 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 19.09 1c9f h ALA 77 CO 0.36 -0.90 0.08 0.41 0.00 0.00 0.00 179.25 179.20 1c9f n GLY 78 N -1.49 2.33 3.45 0.00 0.00 -1.26 -4.84 105.19 103.38 1c9f n GLY 78 Ca 0.29 -0.36 -0.17 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.51 0.99 -0.09 1.61 2.02 0.54 -5.14 118.70 117.12 1c9f s GLU 79 Ca 0.20 0.11 -0.05 0.00 0.02 0.00 0.00 54.97 55.25 1c9f s GLU 79 Cb 0.16 0.46 0.04 0.00 0.10 0.00 0.00 34.13 34.89 1c9f s GLU 79 CO 0.05 -0.31 0.21 0.95 0.02 0.00 0.00 175.26 176.18 1c9f s THR 80 N -1.40 -0.03 -0.22 3.63 -4.23 -1.26 -3.78 115.64 108.35 1c9f s THR 80 Ca -0.11 0.11 -0.13 0.00 -1.18 0.00 0.00 61.69 60.38 1c9f s THR 80 Cb -0.01 -0.32 -0.04 0.00 1.34 0.00 0.00 72.50 73.47 1c9f s THR 80 CO 0.07 0.04 0.29 0.86 -0.54 0.00 0.00 174.62 175.35 1c9f s TRP 81 N 0.88 3.35 0.00 3.99 -0.00 -1.26 -5.02 118.94 120.88 1c9f s TRP 81 Ca -0.06 0.45 0.00 0.00 -0.00 0.00 0.00 56.10 56.48 1c9f s TRP 81 Cb -0.08 -2.40 0.00 0.00 -0.00 0.00 0.00 33.47 30.99 1c9f s TRP 81 CO -0.05 0.04 0.26 0.72 -0.00 0.00 0.00 176.95 177.92 1c9f n HIS 82 N 4.33 0.00 0.00 5.86 8.25 -1.26 -4.93 115.22 127.47 1c9f n HIS 82 Ca -0.11 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.35 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 0.41 0.64 0.00 0.00 176.34 177.39 1c9f n GLY 83 N 0.74 3.48 3.73 -1.41 0.00 -1.26 -4.45 105.19 106.02 1c9f n GLY 83 Ca 0.00 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 1c9f n GLY 83 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1c9f n TYR 84 N 0.00 2.83 -1.90 1.61 4.19 -1.25 -4.76 117.16 117.87 1c9f n TYR 84 Ca 0.00 0.14 -0.30 0.00 3.31 0.00 0.00 57.90 61.06 1c9f n TYR 84 Cb 0.00 -2.64 0.06 0.00 0.49 0.00 0.00 39.34 37.25 1c9f n TYR 84 CO 0.00 0.00 0.00 0.14 0.91 0.00 0.00 176.86 177.91 1c9f s VAL 85 N 0.58 2.85 -1.05 2.97 -7.23 -1.26 -4.72 120.40 112.53 1c9f s VAL 85 Ca 0.69 0.26 -0.02 0.00 -1.81 0.00 0.00 61.98 61.11 1c9f s VAL 85 Cb -0.49 -3.27 0.31 0.00 0.56 0.00 0.00 36.38 33.48 1c9f s VAL 85 CO 0.40 -0.36 1.80 -1.54 -0.31 0.00 0.00 175.10 175.10 1c9f n SER 86 N -3.13 7.25 0.00 4.85 3.41 -1.26 -5.11 113.62 119.63 1c9f n SER 86 Ca 0.07 -3.63 0.00 0.00 -0.26 0.00 0.00 58.87 55.05 1c9f n SER 86 Cb 0.59 -1.19 0.00 0.00 -0.26 0.00 0.00 64.21 63.35 1c9f n SER 86 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35