#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 -1.37 -1.76 -1.89 0.00 0.00 -1.26 -5.13 120.51 109.10 1c9f n ALA 3 Ca 0.03 -1.10 -0.41 0.00 0.00 0.00 0.00 53.44 51.97 1c9f n ALA 3 Cb 0.49 -1.84 -0.04 0.00 0.00 0.00 0.00 19.45 18.06 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 0.32 3.42 0.00 0.00 1.01 -1.26 -5.04 120.40 118.85 1c9f s VAL 4 Ca 0.25 1.32 0.00 0.00 0.00 0.00 0.00 61.98 63.55 1c9f s VAL 4 Cb 0.26 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.80 1c9f s VAL 4 CO -0.14 0.27 0.00 0.18 0.00 0.00 0.00 175.10 175.41 1c9f n LEU 5 N 1.71 0.00 -3.50 3.92 7.99 -1.26 -5.09 117.00 120.78 1c9f n LEU 5 Ca 0.01 0.00 -0.28 0.00 -0.01 0.00 0.00 56.01 55.74 1c9f n LEU 5 Cb 0.44 0.00 -0.11 0.00 -0.11 0.00 0.00 43.42 43.65 1c9f n LEU 5 CO 0.55 -0.28 -0.27 -0.13 -1.51 0.00 0.00 177.39 175.75 1c9f s ARG 6 N 0.06 1.14 0.36 3.23 1.81 -1.26 -5.07 118.95 119.22 1c9f s ARG 6 Ca 0.00 -2.23 0.00 0.00 -1.72 0.00 0.00 55.73 51.78 1c9f s ARG 6 Cb 0.00 -1.78 0.00 0.00 -0.45 0.00 0.00 34.95 32.72 1c9f s ARG 6 CO 0.00 -1.34 0.00 1.04 -0.68 0.00 0.00 175.30 174.32 1c9f n GLN 7 N 2.86 -2.89 -2.29 3.54 6.02 -1.26 -4.81 117.38 118.56 1c9f n GLN 7 Ca 0.25 2.18 -0.42 0.00 -0.01 0.00 0.00 57.00 59.00 1c9f n GLN 7 Cb 0.44 -2.55 -0.03 0.00 1.02 0.00 0.00 30.24 29.12 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 -4.66 4.31 0.38 -1.09 0.04 -1.26 -4.77 135.00 127.95 1c9f s PRO 8 Ca 0.00 1.89 -0.12 0.00 0.04 0.00 0.00 61.00 62.81 1c9f s PRO 8 Cb 0.00 -3.55 -0.07 0.00 0.04 0.00 0.00 34.50 30.92 1c9f s PRO 8 CO 0.00 -0.53 0.77 0.21 0.04 0.00 0.00 177.00 177.49 1c9f s LYS 9 N 2.26 3.85 0.18 4.56 2.20 -1.03 -4.77 119.74 126.98 1c9f s LYS 9 Ca 0.62 0.54 0.07 0.00 -0.36 0.00 0.00 55.97 56.84 1c9f s LYS 9 Cb -0.30 -2.39 -0.04 0.00 -1.51 0.00 0.00 37.83 33.58 1c9f s LYS 9 CO 0.25 0.01 -0.14 0.00 -0.36 0.00 0.00 175.35 175.12 1c9f s VAL 11 N -2.83 -0.01 -0.71 0.00 -7.23 0.57 0.25 120.40 110.43 1c9f s VAL 11 Ca 0.19 0.05 -0.19 0.00 -1.81 0.00 0.00 61.98 60.22 1c9f s VAL 11 Cb -0.01 -0.47 0.12 0.00 0.56 0.00 0.00 36.38 36.57 1c9f s VAL 11 CO 0.05 0.02 0.86 -0.54 -0.31 0.00 0.00 175.10 175.18 1c9f s LYS 12 N 0.65 3.25 -1.19 4.82 -0.14 -0.36 -1.17 119.74 125.61 1c9f s LYS 12 Ca -0.04 -1.47 -0.21 0.00 -1.36 0.00 0.00 55.97 52.89 1c9f s LYS 12 Cb -0.05 -4.44 0.01 0.00 -1.68 0.00 0.00 37.83 31.67 1c9f s LYS 12 CO -0.04 -1.62 1.78 -1.17 -0.76 0.00 0.00 175.35 173.54 1c9f s LEU 13 N 2.65 3.48 0.61 3.17 2.96 -0.79 -2.04 118.68 128.71 1c9f s LEU 13 Ca 0.19 -1.90 -0.10 0.00 -0.22 0.00 0.00 54.13 52.10 1c9f s LEU 13 Cb -0.17 -2.58 -0.03 0.00 0.50 0.00 0.00 46.19 43.91 1c9f s LEU 13 CO 0.01 -1.97 1.00 -0.60 -1.32 0.00 0.00 176.35 173.48 1c9f s ARG 14 N 5.30 3.51 -0.05 1.98 6.06 0.59 -0.70 118.95 135.64 1c9f s ARG 14 Ca 0.59 0.64 -0.02 0.00 -2.50 0.00 0.00 55.73 54.44 1c9f s ARG 14 Cb 0.01 -2.11 0.03 0.00 0.06 0.00 0.00 34.95 32.94 1c9f s ARG 14 CO 0.06 -0.57 0.10 0.00 -2.50 0.00 0.00 175.30 172.39 1c9f s ALA 15 N -3.14 -0.17 -0.11 6.12 0.00 -1.03 -0.32 121.76 123.12 1c9f s ALA 15 Ca 0.54 0.49 0.27 0.00 0.00 0.00 0.00 51.96 53.27 1c9f s ALA 15 Cb -0.11 -0.33 0.85 0.00 0.00 0.00 0.00 23.12 23.53 1c9f s ALA 15 CO 0.53 -0.12 1.79 -0.07 0.00 0.00 0.00 175.76 177.89 1c9f h LEU 16 N 6.98 0.00 0.00 0.00 3.38 -1.87 -2.74 115.31 121.05 1c9f h LEU 16 Ca -0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.57 1c9f h LEU 16 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1c9f h LEU 16 CO 0.44 0.06 0.00 1.57 0.09 0.00 0.00 178.44 180.61 1c9f n HIS 17 N -3.14 0.00 -3.94 1.13 -0.00 -1.26 -4.82 115.22 103.18 1c9f n HIS 17 Ca 0.02 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.10 1c9f n HIS 17 Cb 0.43 0.00 -0.07 0.00 -0.12 0.00 0.00 29.99 30.24 1c9f n HIS 17 CO 0.00 0.00 0.00 -1.12 0.46 0.00 0.00 176.34 175.68 1c9f s SER 18 N -1.67 0.00 -0.86 0.26 0.01 -1.03 -5.06 113.70 105.35 1c9f s SER 18 Ca 0.32 -0.84 -0.02 0.00 1.31 0.00 0.00 55.95 56.72 1c9f s SER 18 Cb 0.15 0.46 0.28 0.00 0.21 0.00 0.00 66.02 67.11 1c9f s SER 18 CO 0.25 -0.92 2.14 0.00 0.41 0.00 0.00 173.24 175.11 1c9f n ALA 19 N -0.24 6.43 -3.22 1.44 0.00 -1.26 -4.67 120.51 118.99 1c9f n ALA 19 Ca -0.07 -4.05 0.03 0.00 0.00 0.00 0.00 53.44 49.35 1c9f n ALA 19 Cb 0.63 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.95 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 -0.20 0.00 -3.35 0.00 2.85 -1.26 -2.47 118.16 113.73 1c9f n LYS 21 Ca 0.01 0.00 -0.22 0.00 -1.05 0.00 0.00 58.31 57.05 1c9f n LYS 21 Cb 0.13 0.00 -0.09 0.00 -0.65 0.00 0.00 35.03 34.42 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 -2.07 0.20 -1.05 5.58 5.36 0.12 -4.87 117.98 121.25 1c9f s PHE 22 Ca 0.00 -1.36 -0.25 0.00 -0.96 0.00 0.00 56.93 54.36 1c9f s PHE 22 Cb 0.00 -0.61 -0.12 0.00 -0.34 0.00 0.00 43.02 41.95 1c9f s PHE 22 CO 0.00 -0.92 2.05 0.20 -1.46 0.00 0.00 175.22 175.08 1c9f s GLY 23 N 0.99 -0.31 0.19 13.12 0.00 -1.26 -1.89 107.32 118.15 1c9f s GLY 23 Ca 0.22 -1.67 -0.04 0.00 0.00 0.00 0.00 44.72 43.23 1c9f s GLY 23 CO -0.05 3.83 0.42 0.54 0.00 0.00 0.00 173.10 177.84 1c9f s VAL 24 N 12.97 5.14 0.20 1.40 0.11 -0.31 -4.84 120.40 135.06 1c9f s VAL 24 Ca 0.75 -0.06 0.03 0.00 -2.93 0.00 0.00 61.98 59.77 1c9f s VAL 24 Cb -0.05 -3.67 -0.05 0.00 -1.53 0.00 0.00 36.38 31.08 1c9f s VAL 24 CO 0.11 -0.09 -0.02 0.00 -3.33 0.00 0.00 175.10 171.77 1c9f s ALA 25 N -1.80 1.59 0.00 1.54 0.00 -1.26 -0.32 121.76 121.50 1c9f s ALA 25 Ca 0.41 -1.66 0.00 0.00 0.00 0.00 0.00 51.96 50.71 1c9f s ALA 25 Cb -0.11 0.44 0.00 0.00 0.00 0.00 0.00 23.12 23.45 1c9f s ALA 25 CO 0.27 -0.25 0.00 0.00 0.00 0.00 0.00 175.76 175.77 1c9f n ALA 26 N -0.32 0.00 -0.27 0.00 0.00 0.19 -4.86 120.51 115.26 1c9f n ALA 26 Ca -0.06 0.00 0.25 0.00 0.00 0.00 0.00 53.44 53.63 1c9f n ALA 26 Cb 0.63 0.00 0.60 0.00 0.00 0.00 0.00 19.45 20.68 1c9f n ALA 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1c9f h ARG 27 N 0.00 0.23 -3.91 0.00 3.08 -1.86 -2.73 114.38 109.19 1c9f h ARG 27 Ca 0.00 -0.01 -0.73 0.00 0.07 0.00 0.00 59.98 59.31 1c9f h ARG 27 Cb 0.00 -0.05 -0.31 0.00 0.08 0.00 0.00 29.97 29.69 1c9f h ARG 27 CO 0.00 0.15 -0.26 -1.12 -1.07 0.00 0.00 179.97 177.68 1c9f s SER 28 N -5.43 5.79 0.54 7.04 0.01 -1.26 -4.49 113.70 115.89 1c9f s SER 28 Ca -0.07 -2.48 0.42 0.00 1.31 0.00 0.00 55.95 55.12 1c9f s SER 28 Cb 0.23 -2.00 1.43 0.00 0.21 0.00 0.00 66.02 65.90 1c9f s SER 28 CO 0.79 -0.53 1.41 0.00 0.41 0.00 0.00 173.24 175.31 1c9f h GLN 30 N 0.00 0.51 -0.07 0.00 4.15 -1.90 -0.97 115.11 116.84 1c9f h GLN 30 Ca 0.78 -0.03 -0.09 0.00 0.77 0.00 0.00 58.65 60.07 1c9f h GLN 30 Cb 3.37 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 30.93 1c9f h GLN 30 CO -0.01 0.35 -0.38 1.49 -1.93 0.00 0.00 178.83 178.35 1c9f h GLU 31 N 0.53 0.13 0.01 1.69 4.81 0.23 -2.48 114.58 119.51 1c9f h GLU 31 Ca 0.14 -0.06 -0.22 0.00 -0.13 0.00 0.00 59.36 59.10 1c9f h GLU 31 Cb -0.05 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.32 1c9f h GLU 31 CO -0.03 0.50 -0.94 -0.07 -0.73 0.00 0.00 179.01 177.74 1c9f h LEU 32 N 0.12 0.40 0.57 1.64 3.38 -1.26 -2.42 115.31 117.73 1c9f h LEU 32 Ca 0.01 -0.33 -0.03 0.00 0.09 0.00 0.00 57.88 57.62 1c9f h LEU 32 Cb 0.73 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 41.36 1c9f h LEU 32 CO 0.05 1.14 -0.27 -0.07 0.09 0.00 0.00 178.44 179.38 1c9f h LEU 33 N 0.16 -0.65 -0.08 1.67 3.38 -1.14 0.16 115.31 118.82 1c9f h LEU 33 Ca -0.07 0.02 0.04 0.00 0.09 0.00 0.00 57.88 57.97 1c9f h LEU 33 Cb 1.58 0.17 -0.05 0.00 0.09 0.00 0.00 40.66 42.45 1c9f h LEU 33 CO 0.15 -0.32 -0.25 -0.09 0.09 0.00 0.00 178.44 178.02 1c9f h ARG 34 N -1.06 -0.33 -0.27 1.13 9.65 -1.58 0.26 114.38 122.19 1c9f h ARG 34 Ca -0.08 0.02 0.08 0.00 -1.10 0.00 0.00 59.98 58.90 1c9f h ARG 34 Cb 0.59 0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 29.23 1c9f h ARG 34 CO 0.13 -0.22 0.22 0.87 2.80 0.00 0.00 179.97 183.77 1c9f h LYS 35 N -0.34 0.00 0.15 0.20 1.57 -1.49 -1.64 116.57 115.02 1c9f h LYS 35 Ca 0.09 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 1c9f h LYS 35 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.78 1c9f h LYS 35 CO -0.28 0.00 -0.07 0.78 -0.57 0.00 0.00 179.45 179.31 1c9f h GLY 36 N 0.00 -0.21 2.00 3.86 0.00 0.26 -0.01 103.07 108.97 1c9f h GLY 36 Ca 0.13 0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.53 1c9f h GLY 36 CO -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 176.54 176.46 1c9f h VAL 38 N 0.00 1.14 -0.46 0.00 2.07 -0.88 0.24 116.25 118.36 1c9f h VAL 38 Ca 0.00 -1.90 -0.09 0.00 0.82 0.00 0.00 66.70 65.54 1c9f h VAL 38 Cb 0.32 2.20 -0.02 0.00 -1.52 0.00 0.00 31.29 32.27 1c9f h VAL 38 CO 0.00 0.39 -0.05 0.03 0.02 0.00 0.00 177.57 177.96 1c9f h ARG 39 N -1.00 0.85 0.00 1.57 2.47 -0.92 -2.71 114.38 114.63 1c9f h ARG 39 Ca -0.03 -0.30 0.00 0.00 -1.26 0.00 0.00 59.98 58.40 1c9f h ARG 39 Cb 0.71 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.97 1c9f h ARG 39 CO -0.02 0.92 -0.33 1.19 0.56 0.00 0.00 179.97 182.30 1c9f n PHE 40 N -4.31 0.48 -3.14 3.04 3.01 -0.24 -4.99 117.46 111.30 1c9f n PHE 40 Ca 0.00 0.14 -0.21 0.00 1.01 0.00 0.00 57.45 58.39 1c9f n PHE 40 Cb 0.34 -0.64 0.02 0.00 -0.01 0.00 0.00 39.48 39.19 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 -1.95 -2.17 -3.77 -1.08 6.02 0.79 -4.94 117.38 110.29 1c9f n GLN 41 Ca 0.05 1.81 -0.37 0.00 -0.01 0.00 0.00 57.00 58.48 1c9f n GLN 41 Cb 0.40 -3.94 -0.12 0.00 1.02 0.00 0.00 30.24 27.61 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 -2.45 4.75 0.95 1.08 1.98 -0.82 -5.01 118.68 119.16 1c9f s LEU 42 Ca 0.29 -1.58 -0.12 0.00 -2.89 0.00 0.00 54.13 49.83 1c9f s LEU 42 Cb -0.05 -1.84 0.16 0.00 0.66 0.00 0.00 46.19 45.12 1c9f s LEU 42 CO 0.79 -0.44 1.11 -2.16 -1.89 0.00 0.00 176.35 173.76 1c9f s PRO 43 N 1.27 0.82 -0.15 0.98 0.04 -1.26 -4.99 135.00 131.71 1c9f s PRO 43 Ca 0.02 0.49 -0.15 0.00 0.04 0.00 0.00 61.00 61.40 1c9f s PRO 43 Cb -0.22 -1.78 -0.24 0.00 0.04 0.00 0.00 34.50 32.30 1c9f s PRO 43 CO -0.01 -2.46 0.38 1.98 0.04 0.00 0.00 177.00 176.93 1c9f h MET 44 N -1.70 0.16 -6.08 4.56 4.05 -1.98 -3.39 114.93 110.55 1c9f h MET 44 Ca -0.52 -0.27 -0.58 0.00 -0.28 0.00 0.00 59.70 58.05 1c9f h MET 44 Cb 1.32 0.10 -0.06 0.00 -0.80 0.00 0.00 31.60 32.16 1c9f h MET 44 CO 0.59 1.13 0.80 -1.25 0.23 0.00 0.00 176.91 178.40 1c9f s PRO 45 N -2.46 4.26 -0.18 0.39 0.04 -1.26 -3.33 135.00 132.47 1c9f s PRO 45 Ca -0.24 1.36 0.00 0.00 0.04 0.00 0.00 61.00 62.16 1c9f s PRO 45 Cb 0.05 -3.64 0.00 0.00 0.04 0.00 0.00 34.50 30.96 1c9f s PRO 45 CO 0.70 -0.63 0.00 0.41 0.04 0.00 0.00 177.00 177.53 1c9f n GLY 46 N 3.32 0.32 3.37 0.56 0.00 -1.26 -5.01 105.19 106.49 1c9f n GLY 46 Ca 0.12 -0.83 -0.14 0.00 0.00 0.00 0.00 46.02 45.17 1c9f n GLY 46 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1c9f s SER 47 N -2.92 0.61 0.00 1.61 0.01 -1.21 -2.44 113.70 109.36 1c9f s SER 47 Ca 0.00 -1.40 0.00 0.00 1.31 0.00 0.00 55.95 55.86 1c9f s SER 47 Cb 0.00 0.53 0.00 0.00 0.21 0.00 0.00 66.02 66.76 1c9f s SER 47 CO 0.00 -1.07 0.00 0.54 0.41 0.00 0.00 173.24 173.12 1c9f n ARG 48 N -0.44 0.00 -4.07 12.44 1.74 0.93 -4.69 116.66 122.57 1c9f n ARG 48 Ca 0.02 0.00 -0.22 0.00 -0.77 0.00 0.00 57.85 56.88 1c9f n ARG 48 Cb 0.63 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 32.02 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 3.50 0.14 0.55 1.43 -0.59 -1.01 118.68 122.70 1c9f s LEU 49 Ca 0.00 -0.52 -0.12 0.00 -1.03 0.00 0.00 54.13 52.47 1c9f s LEU 49 Cb 0.00 -2.04 0.01 0.00 0.03 0.00 0.00 46.19 44.18 1c9f s LEU 49 CO 0.00 -0.17 0.31 0.00 0.23 0.00 0.00 176.35 176.72 1c9f s LEU 51 N -2.89 4.17 0.00 0.00 1.02 0.37 -1.49 118.68 119.87 1c9f s LEU 51 Ca 0.10 0.34 0.15 0.00 0.02 0.00 0.00 54.13 54.74 1c9f s LEU 51 Cb 0.03 -2.89 0.77 0.00 0.02 0.00 0.00 46.19 44.12 1c9f s LEU 51 CO -0.06 -0.60 1.44 0.00 0.02 0.00 0.00 176.35 177.15 1c9f n TYR 52 N 6.10 0.00 0.24 0.29 9.36 -0.88 -0.88 117.16 131.40 1c9f n TYR 52 Ca 0.00 0.00 -0.16 0.00 3.32 0.00 0.00 57.90 61.07 1c9f n TYR 52 Cb 0.48 -0.30 -0.08 0.00 -0.63 0.00 0.00 39.34 38.81 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 -0.54 0.00 2.98 4.81 -1.91 -3.38 114.58 116.53 1c9f h GLU 53 Ca 0.00 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1c9f h GLU 53 Cb 0.15 0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.66 1c9f h GLU 53 CO 0.00 -0.34 0.00 -3.47 -0.73 0.00 0.00 179.01 174.47 1c9f n ASP 54 N -5.32 0.42 0.00 1.04 2.03 -1.22 -4.23 116.55 109.27 1c9f n ASP 54 Ca -0.11 -1.19 0.00 0.00 0.52 0.00 0.00 54.79 54.01 1c9f n ASP 54 Cb 0.25 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.65 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 -0.10 1.25 3.76 0.27 0.00 -0.06 -3.46 105.19 106.85 1c9f n GLY 55 Ca 0.00 -0.39 -0.30 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.00 1.82 -0.03 2.61 -4.23 -0.69 -4.75 115.64 108.38 1c9f s THR 56 Ca 0.00 0.00 0.04 0.00 -1.18 0.00 0.00 61.69 60.55 1c9f s THR 56 Cb 0.00 -2.73 -0.01 0.00 1.34 0.00 0.00 72.50 71.10 1c9f s THR 56 CO 0.00 0.00 -0.16 -1.61 -0.54 0.00 0.00 174.62 172.31 1c9f s GLU 57 N -5.58 1.57 0.31 3.99 2.02 -1.26 -0.48 118.70 119.27 1c9f s GLU 57 Ca 0.71 -0.58 -0.14 0.00 0.02 0.00 0.00 54.97 54.98 1c9f s GLU 57 Cb -0.08 -1.42 0.02 0.00 0.10 0.00 0.00 34.13 32.75 1c9f s GLU 57 CO 0.54 0.28 0.63 0.08 0.02 0.00 0.00 175.26 176.82 1c9f s VAL 58 N -0.11 0.00 0.32 2.63 1.01 0.64 -4.80 120.40 120.09 1c9f s VAL 58 Ca 0.00 -1.21 0.08 0.00 0.00 0.00 0.00 61.98 60.85 1c9f s VAL 58 Cb -0.09 -2.42 -0.06 0.00 0.00 0.00 0.00 36.38 33.80 1c9f s VAL 58 CO 0.01 0.00 -0.07 0.42 0.00 0.00 0.00 175.10 175.46 1c9f s THR 59 N -3.32 1.92 -1.59 3.92 -4.23 -1.26 -1.54 115.64 109.54 1c9f s THR 59 Ca 0.19 -2.15 0.15 0.00 -1.18 0.00 0.00 61.69 58.69 1c9f s THR 59 Cb -0.03 -2.57 0.31 0.00 1.34 0.00 0.00 72.50 71.54 1c9f s THR 59 CO 0.11 -0.23 1.39 -0.90 -0.54 0.00 0.00 174.62 174.45 1c9f n ASP 60 N -0.70 0.00 -0.06 3.99 5.75 -1.26 -2.14 116.55 122.12 1c9f n ASP 60 Ca -0.05 -0.08 0.04 0.00 -0.01 0.00 0.00 54.79 54.68 1c9f n ASP 60 Cb 0.64 -0.20 -0.03 0.00 -1.03 0.00 0.00 41.12 40.49 1c9f n ASP 60 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 1c9f n ASP 61 N -1.20 0.61 -1.39 -1.12 5.75 -1.26 -4.50 116.55 113.44 1c9f n ASP 61 Ca 0.08 -0.81 0.08 0.00 -0.01 0.00 0.00 54.79 54.14 1c9f n ASP 61 Cb 0.10 0.81 0.33 0.00 -1.03 0.00 0.00 41.12 41.33 1c9f n ASP 61 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1c9f s PHE 63 N -2.57 3.34 0.00 0.00 0.08 -1.24 -4.81 117.98 112.79 1c9f s PHE 63 Ca 0.48 -1.46 0.00 0.00 0.12 0.00 0.00 56.93 56.06 1c9f s PHE 63 Cb 0.36 -3.76 0.00 0.00 -0.57 0.00 0.00 43.02 39.05 1c9f s PHE 63 CO 0.14 -1.01 0.00 -0.35 -0.10 0.00 0.00 175.22 173.90 1c9f n PRO 64 N 5.02 0.00 -3.23 0.24 -0.04 -1.26 -4.78 135.00 130.95 1c9f n PRO 64 Ca -0.09 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.11 1c9f n PRO 64 Cb 0.41 -0.15 -0.06 0.00 -0.04 0.00 0.00 33.50 33.65 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 2.03 4.36 3.04 0.55 0.00 -1.26 -4.64 105.19 109.28 1c9f n GLY 65 Ca 0.00 -2.35 -0.36 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 0.67 -4.65 -4.78 0.99 4.77 -1.26 -4.88 117.00 107.86 1c9f n LEU 66 Ca 0.27 0.13 -0.33 0.00 -0.03 0.00 0.00 56.01 56.06 1c9f n LEU 66 Cb 0.47 -0.73 0.04 0.00 -2.33 0.00 0.00 43.42 40.86 1c9f n LEU 66 CO 0.31 -4.82 0.74 -2.16 -1.33 0.00 0.00 177.39 170.13 1c9f s PRO 67 N -2.18 2.92 0.34 3.23 0.04 -1.26 -4.82 135.00 133.26 1c9f s PRO 67 Ca 0.41 1.35 -0.24 0.00 0.04 0.00 0.00 61.00 62.56 1c9f s PRO 67 Cb -0.10 -1.97 -0.15 0.00 0.04 0.00 0.00 34.50 32.31 1c9f s PRO 67 CO 0.77 -1.15 0.38 -1.71 0.04 0.00 0.00 177.00 175.32 1c9f n ASN 68 N -2.32 -1.69 -3.32 6.66 2.85 -1.26 -0.13 115.26 116.05 1c9f n ASN 68 Ca 0.10 0.95 -0.24 0.00 -0.11 0.00 0.00 54.58 55.29 1c9f n ASN 68 Cb 0.52 -0.98 0.02 0.00 1.24 0.00 0.00 39.78 40.58 1c9f n ASN 68 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 1c9f n ASP 69 N 1.94 -4.91 -4.35 1.20 8.00 0.69 -4.73 116.55 114.38 1c9f n ASP 69 Ca 0.13 -0.41 -0.58 0.00 0.71 0.00 0.00 54.79 54.64 1c9f n ASP 69 Cb 0.35 -3.99 -0.11 0.00 -0.02 0.00 0.00 41.12 37.35 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 -3.76 0.29 -2.43 2.24 0.00 0.82 -3.97 120.51 113.70 1c9f n ALA 70 Ca -0.04 0.16 -0.40 0.00 0.00 0.00 0.00 53.44 53.16 1c9f n ALA 70 Cb 0.57 -2.18 -0.03 0.00 0.00 0.00 0.00 19.45 17.81 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 5.75 3.11 0.19 0.00 2.56 -1.26 -1.22 118.70 127.83 1c9f s GLU 71 Ca 1.16 -0.20 0.07 0.00 0.00 0.00 0.00 54.97 56.00 1c9f s GLU 71 Cb -1.34 -4.42 -0.04 0.00 2.00 0.00 0.00 34.13 30.34 1c9f s GLU 71 CO 0.63 -2.32 0.08 -0.51 -0.56 0.00 0.00 175.26 172.58 1c9f s LEU 72 N 6.47 3.56 -0.04 2.70 1.02 -0.87 -2.06 118.68 129.46 1c9f s LEU 72 Ca 0.44 -0.30 -0.01 0.00 0.02 0.00 0.00 54.13 54.29 1c9f s LEU 72 Cb -0.08 -2.17 0.03 0.00 0.02 0.00 0.00 46.19 43.99 1c9f s LEU 72 CO 0.12 0.05 0.04 -0.22 0.02 0.00 0.00 176.35 176.36 1c9f s LEU 73 N -3.20 0.58 0.30 1.79 2.96 -0.55 -0.30 118.68 120.25 1c9f s LEU 73 Ca 0.30 0.03 -0.29 0.00 -0.22 0.00 0.00 54.13 53.95 1c9f s LEU 73 Cb -0.09 -0.17 -0.10 0.00 0.50 0.00 0.00 46.19 46.33 1c9f s LEU 73 CO 0.21 -0.19 1.31 -0.22 -1.32 0.00 0.00 176.35 176.14 1c9f s LEU 74 N 1.70 4.43 0.07 -0.68 2.96 0.57 -2.31 118.68 125.42 1c9f s LEU 74 Ca -0.01 2.60 -0.11 0.00 -0.22 0.00 0.00 54.13 56.39 1c9f s LEU 74 Cb -0.13 -3.64 0.01 0.00 0.50 0.00 0.00 46.19 42.94 1c9f s LEU 74 CO -0.03 -0.52 0.25 -0.22 -1.32 0.00 0.00 176.35 174.51 1c9f s LEU 75 N -1.31 1.11 0.32 -0.68 0.20 -0.18 -3.07 118.68 115.06 1c9f s LEU 75 Ca 0.51 -0.42 -0.04 0.00 0.69 0.00 0.00 54.13 54.87 1c9f s LEU 75 Cb -0.39 1.23 -0.00 0.00 -0.43 0.00 0.00 46.19 46.60 1c9f s LEU 75 CO 0.48 -0.69 0.45 0.42 -0.29 0.00 0.00 176.35 176.73 1c9f s THR 76 N -3.26 0.00 0.36 3.68 -4.23 -1.24 -0.05 115.64 110.90 1c9f s THR 76 Ca 0.00 -1.60 0.12 0.00 -1.18 0.00 0.00 61.69 59.04 1c9f s THR 76 Cb 0.02 -2.57 0.35 0.00 1.34 0.00 0.00 72.50 71.63 1c9f s THR 76 CO -0.08 0.00 1.81 0.00 -0.54 0.00 0.00 174.62 175.81 1c9f h ALA 77 N 2.16 1.97 -0.21 3.99 0.00 -1.76 1.18 119.26 126.59 1c9f h ALA 77 Ca -0.28 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1c9f h ALA 77 Cb 1.24 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1c9f h ALA 77 CO 0.39 -0.31 0.00 0.41 0.00 0.00 0.00 179.25 179.74 1c9f n GLY 78 N -1.42 1.06 3.04 0.00 0.00 -1.26 -4.82 105.19 101.79 1c9f n GLY 78 Ca 0.22 -0.28 -0.11 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.62 0.32 0.06 1.61 2.02 0.41 -5.13 118.70 116.37 1c9f s GLU 79 Ca 0.17 -0.20 -0.08 0.00 0.02 0.00 0.00 54.97 54.88 1c9f s GLU 79 Cb 0.11 0.13 -0.01 0.00 0.10 0.00 0.00 34.13 34.47 1c9f s GLU 79 CO 0.08 -0.06 0.16 0.95 0.02 0.00 0.00 175.26 176.40 1c9f s THR 80 N -0.80 0.14 -0.08 3.63 -4.23 -1.26 -3.71 115.64 109.32 1c9f s THR 80 Ca -0.09 -1.14 0.01 0.00 -1.18 0.00 0.00 61.69 59.29 1c9f s THR 80 Cb -0.05 -1.17 0.02 0.00 1.34 0.00 0.00 72.50 72.64 1c9f s THR 80 CO 0.01 -0.63 -0.10 0.86 -0.54 0.00 0.00 174.62 174.22 1c9f s TRP 81 N -3.31 1.37 -0.01 3.99 -0.00 -1.26 -5.05 118.94 114.67 1c9f s TRP 81 Ca 0.01 -0.56 -0.22 0.00 -0.00 0.00 0.00 56.10 55.33 1c9f s TRP 81 Cb 0.03 -1.07 -0.13 0.00 -0.00 0.00 0.00 33.47 32.30 1c9f s TRP 81 CO -0.08 -0.34 0.93 1.25 -0.00 0.00 0.00 176.95 178.71 1c9f h HIS 82 N 7.39 -0.68 0.00 5.86 -0.00 -1.97 -3.48 115.15 122.27 1c9f h HIS 82 Ca -0.31 -0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.04 1c9f h HIS 82 Cb 1.16 0.22 0.00 0.00 -0.00 0.00 0.00 27.41 28.80 1c9f h HIS 82 CO 0.48 -0.39 0.00 0.41 -0.00 0.00 0.00 177.93 178.44 1c9f n GLY 83 N -0.18 4.22 3.79 5.26 0.00 -1.26 -4.70 105.19 112.31 1c9f n GLY 83 Ca -0.10 -1.54 -0.36 0.00 0.00 0.00 0.00 46.02 44.02 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 -2.02 3.29 0.15 1.61 5.04 -1.22 -4.80 117.35 119.39 1c9f s TYR 84 Ca 0.00 1.65 -0.03 0.00 -2.44 0.00 0.00 57.07 56.25 1c9f s TYR 84 Cb 0.00 -3.08 -0.03 0.00 0.35 0.00 0.00 41.96 39.20 1c9f s TYR 84 CO 0.00 -0.52 0.14 0.08 -1.34 0.00 0.00 175.55 173.90 1c9f s VAL 85 N -1.72 0.08 -0.35 3.14 1.01 -1.26 -4.83 120.40 116.46 1c9f s VAL 85 Ca 0.58 -1.77 0.14 0.00 0.00 0.00 0.00 61.98 60.93 1c9f s VAL 85 Cb -0.20 -2.05 0.42 0.00 0.00 0.00 0.00 36.38 34.55 1c9f s VAL 85 CO 0.25 -0.35 1.05 -0.24 0.00 0.00 0.00 175.10 175.82 1c9f n SER 86 N -0.16 0.24 0.00 3.32 2.88 -1.26 -5.21 113.62 113.43 1c9f n SER 86 Ca -0.05 -2.72 0.05 0.00 -1.33 0.00 0.00 58.87 54.83 1c9f n SER 86 Cb 0.64 0.03 0.31 0.00 -0.75 0.00 0.00 64.21 64.44 1c9f n SER 86 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28