#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 -1.01 -2.02 -1.82 0.00 0.00 -1.26 -5.02 120.51 109.38 1c9f n ALA 3 Ca 0.11 -0.54 -0.35 0.00 0.00 0.00 0.00 53.44 52.66 1c9f n ALA 3 Cb 0.42 -1.27 0.05 0.00 0.00 0.00 0.00 19.45 18.65 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 -0.39 3.35 -3.83 0.00 0.31 -1.26 -4.87 118.33 111.64 1c9f n VAL 4 Ca -0.22 -3.94 -0.25 0.00 -0.01 0.00 0.00 64.34 59.91 1c9f n VAL 4 Cb 0.68 -1.21 0.02 0.00 -0.91 0.00 0.00 33.84 32.42 1c9f n VAL 4 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1c9f n LEU 5 N -0.67 -2.72 -4.23 7.52 0.00 -1.26 -1.37 117.00 114.28 1c9f n LEU 5 Ca 0.54 -0.85 -0.31 0.00 0.00 0.00 0.00 56.01 55.39 1c9f n LEU 5 Cb 0.49 -2.53 -0.07 0.00 0.00 0.00 0.00 43.42 41.32 1c9f n LEU 5 CO 0.57 0.43 -0.32 0.54 0.00 0.00 0.00 177.39 178.60 1c9f n ARG 6 N -4.42 -1.85 -0.85 1.96 5.12 -1.26 -4.44 116.66 110.90 1c9f n ARG 6 Ca -0.18 0.22 0.11 0.00 -1.93 0.00 0.00 57.85 56.06 1c9f n ARG 6 Cb 0.63 -4.17 -0.05 0.00 -1.16 0.00 0.00 32.46 27.71 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 -4.45 -1.94 -2.33 5.56 6.02 -0.47 -4.82 117.38 114.95 1c9f n GLN 7 Ca -0.23 1.55 -0.41 0.00 -0.01 0.00 0.00 57.00 57.90 1c9f n GLN 7 Cb 0.64 -2.28 -0.03 0.00 1.02 0.00 0.00 30.24 29.59 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 -3.45 4.50 0.74 -1.09 0.04 -1.26 -4.84 135.00 129.64 1c9f s PRO 8 Ca 0.00 1.95 -0.09 0.00 0.04 0.00 0.00 61.00 62.89 1c9f s PRO 8 Cb 0.00 -3.18 0.06 0.00 0.04 0.00 0.00 34.50 31.42 1c9f s PRO 8 CO 0.00 -0.03 1.09 0.15 0.04 0.00 0.00 177.00 178.24 1c9f s LYS 9 N -0.92 2.19 0.02 4.56 1.02 -1.18 -4.77 119.74 120.67 1c9f s LYS 9 Ca 0.50 -0.02 -0.02 0.00 0.02 0.00 0.00 55.97 56.44 1c9f s LYS 9 Cb -0.34 -2.07 -0.02 0.00 -0.52 0.00 0.00 37.83 34.88 1c9f s LYS 9 CO 0.41 -1.35 0.02 0.00 -0.92 0.00 0.00 175.35 173.51 1c9f s VAL 11 N -2.01 0.02 -0.78 0.00 -7.23 0.12 0.14 120.40 110.66 1c9f s VAL 11 Ca -0.10 -0.15 -0.15 0.00 -1.81 0.00 0.00 61.98 59.77 1c9f s VAL 11 Cb -0.05 -0.45 0.19 0.00 0.56 0.00 0.00 36.38 36.62 1c9f s VAL 11 CO -0.03 -0.08 0.76 -0.54 -0.31 0.00 0.00 175.10 174.91 1c9f s LYS 12 N -0.25 3.46 -1.10 4.82 -0.14 -0.47 -0.54 119.74 125.52 1c9f s LYS 12 Ca -0.04 -2.17 -0.23 0.00 -1.36 0.00 0.00 55.97 52.17 1c9f s LYS 12 Cb -0.03 -4.46 -0.03 0.00 -1.68 0.00 0.00 37.83 31.63 1c9f s LYS 12 CO 0.01 -1.37 1.85 -1.17 -0.76 0.00 0.00 175.35 173.91 1c9f s LEU 13 N 0.89 3.26 0.59 3.17 2.96 -0.88 -1.42 118.68 127.25 1c9f s LEU 13 Ca 0.17 -1.47 -0.10 0.00 -0.22 0.00 0.00 54.13 52.51 1c9f s LEU 13 Cb -0.14 -2.58 -0.04 0.00 0.50 0.00 0.00 46.19 43.94 1c9f s LEU 13 CO -0.06 -2.49 0.98 -0.60 -1.32 0.00 0.00 176.35 172.86 1c9f s ARG 14 N 6.10 3.60 -0.04 1.98 6.06 0.53 -0.28 118.95 136.88 1c9f s ARG 14 Ca 0.64 0.64 -0.02 0.00 -2.50 0.00 0.00 55.73 54.49 1c9f s ARG 14 Cb -0.02 -2.15 0.03 0.00 0.06 0.00 0.00 34.95 32.88 1c9f s ARG 14 CO 0.05 -0.48 0.08 0.00 -2.50 0.00 0.00 175.30 172.45 1c9f s ALA 15 N -3.07 -0.01 0.26 6.12 0.00 -1.03 -0.59 121.76 123.45 1c9f s ALA 15 Ca 0.53 0.41 0.25 0.00 0.00 0.00 0.00 51.96 53.15 1c9f s ALA 15 Cb -0.11 -0.45 1.14 0.00 0.00 0.00 0.00 23.12 23.70 1c9f s ALA 15 CO 0.51 -0.26 1.93 -0.07 0.00 0.00 0.00 175.76 177.87 1c9f h LEU 16 N 7.66 0.00 0.00 0.00 3.38 -1.89 -2.02 115.31 122.44 1c9f h LEU 16 Ca -0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.63 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 0.35 0.19 0.00 1.57 0.09 0.00 0.00 178.44 180.65 1c9f n HIS 17 N -3.51 0.00 -3.73 1.13 -0.00 -1.26 -4.78 115.22 103.06 1c9f n HIS 17 Ca -0.01 0.00 -0.14 0.00 0.46 0.00 0.00 57.72 58.03 1c9f n HIS 17 Cb 0.35 0.00 -0.09 0.00 -0.12 0.00 0.00 29.99 30.14 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 -1.40 -0.26 -0.83 0.26 0.01 -0.76 -5.04 113.70 105.66 1c9f s SER 18 Ca 0.19 0.23 -0.07 0.00 1.31 0.00 0.00 55.95 57.62 1c9f s SER 18 Cb 0.09 0.39 -0.07 0.00 0.21 0.00 0.00 66.02 66.64 1c9f s SER 18 CO 0.15 -0.43 3.00 0.00 0.41 0.00 0.00 173.24 176.37 1c9f n ALA 19 N 1.41 6.83 -3.26 1.44 0.00 -1.26 -4.53 120.51 121.14 1c9f n ALA 19 Ca -0.20 -3.04 0.04 0.00 0.00 0.00 0.00 53.44 50.23 1c9f n ALA 19 Cb 0.56 -2.68 0.00 0.00 0.00 0.00 0.00 19.45 17.34 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 -0.23 0.00 -3.13 0.00 0.00 -1.26 -2.47 118.16 111.07 1c9f n LYS 21 Ca 0.01 0.00 -0.18 0.00 -0.00 0.00 0.00 58.31 58.13 1c9f n LYS 21 Cb 0.16 0.00 -0.05 0.00 -0.00 0.00 0.00 35.03 35.13 1c9f n LYS 21 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1c9f n PHE 22 N 0.00 -2.01 -1.70 5.58 7.35 0.61 -4.86 117.46 122.43 1c9f n PHE 22 Ca 0.00 -2.58 -0.17 0.00 -0.76 0.00 0.00 57.45 53.93 1c9f n PHE 22 Cb 0.00 0.71 -0.10 0.00 0.35 0.00 0.00 39.48 40.43 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 0.20 -0.85 0.08 7.13 0.00 -1.25 -2.07 107.32 110.56 1c9f s GLY 23 Ca 0.32 -1.57 -0.10 0.00 0.00 0.00 0.00 44.72 43.36 1c9f s GLY 23 CO -0.14 4.14 0.41 0.54 0.00 0.00 0.00 173.10 178.05 1c9f s VAL 24 N 15.69 5.07 0.17 1.40 0.11 0.29 -4.81 120.40 138.33 1c9f s VAL 24 Ca 0.79 0.49 0.09 0.00 -2.93 0.00 0.00 61.98 60.43 1c9f s VAL 24 Cb -0.05 -3.65 -0.04 0.00 -1.53 0.00 0.00 36.38 31.11 1c9f s VAL 24 CO 0.16 0.29 -0.20 0.00 -3.33 0.00 0.00 175.10 172.02 1c9f s ALA 25 N -1.40 2.13 -0.30 1.54 0.00 -1.26 -0.71 121.76 121.77 1c9f s ALA 25 Ca 0.33 -1.51 -0.16 0.00 0.00 0.00 0.00 51.96 50.62 1c9f s ALA 25 Cb -0.14 -0.23 0.20 0.00 0.00 0.00 0.00 23.12 22.95 1c9f s ALA 25 CO 0.18 0.30 1.21 0.00 0.00 0.00 0.00 175.76 177.45 1c9f s ALA 26 N -1.86 -2.61 0.16 0.00 0.00 -0.36 -4.90 121.76 112.20 1c9f s ALA 26 Ca 0.16 2.02 -0.27 0.00 0.00 0.00 0.00 51.96 53.87 1c9f s ALA 26 Cb -0.07 -1.94 0.01 0.00 0.00 0.00 0.00 23.12 21.12 1c9f s ALA 26 CO 0.07 -0.32 1.57 -0.09 0.00 0.00 0.00 175.76 176.99 1c9f h ARG 27 N 5.28 -0.26 -6.03 0.00 2.43 -1.88 -3.12 114.38 110.80 1c9f h ARG 27 Ca -0.27 0.02 -0.58 0.00 -0.81 0.00 0.00 59.98 58.34 1c9f h ARG 27 Cb 1.16 0.06 -0.10 0.00 -0.42 0.00 0.00 29.97 30.67 1c9f h ARG 27 CO 0.23 -0.17 1.04 -1.54 -1.51 0.00 0.00 179.97 178.01 1c9f s SER 28 N -5.13 6.27 0.56 -3.80 1.04 -1.26 -4.38 113.70 107.00 1c9f s SER 28 Ca -0.14 -0.88 0.45 0.00 0.48 0.00 0.00 55.95 55.86 1c9f s SER 28 Cb 0.12 -2.52 1.62 0.00 0.10 0.00 0.00 66.02 65.34 1c9f s SER 28 CO 0.65 -1.64 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 7.50 -1.88 -1.66 115.11 119.03 1c9f h GLN 30 Ca 0.81 0.00 -0.09 0.00 0.50 0.00 0.00 58.65 59.87 1c9f h GLN 30 Cb 3.37 0.00 0.01 0.00 0.05 0.00 0.00 27.48 30.91 1c9f h GLN 30 CO -0.01 0.00 -0.33 1.49 -1.50 0.00 0.00 178.83 178.48 1c9f h GLU 31 N 0.00 0.29 -0.85 1.46 4.57 0.16 -2.77 114.58 117.43 1c9f h GLU 31 Ca 0.06 -0.26 -0.02 0.00 -1.18 0.00 0.00 59.36 57.96 1c9f h GLU 31 Cb 0.45 0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 29.07 1c9f h GLU 31 CO -0.00 0.94 0.46 -0.07 -1.18 0.00 0.00 179.01 179.15 1c9f h LEU 32 N -0.26 1.07 0.76 1.64 3.38 -1.44 -0.96 115.31 119.51 1c9f h LEU 32 Ca -0.03 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.80 1c9f h LEU 32 Cb 1.02 -0.27 0.01 0.00 0.09 0.00 0.00 40.66 41.51 1c9f h LEU 32 CO 0.07 0.87 -0.37 -0.07 0.09 0.00 0.00 178.44 179.03 1c9f h LEU 33 N 1.20 -0.86 0.00 1.67 3.38 -1.50 0.15 115.31 119.34 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 0.04 0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1c9f h LEU 33 CO -0.05 -0.53 0.00 0.54 0.09 0.00 0.00 178.44 178.49 1c9f n ARG 34 N -5.48 0.00 -0.48 1.13 5.12 -1.05 -1.14 116.66 114.77 1c9f n ARG 34 Ca -0.14 0.43 0.39 0.00 -1.93 0.00 0.00 57.85 56.61 1c9f n ARG 34 Cb 0.41 -1.42 0.69 0.00 -1.16 0.00 0.00 32.46 30.98 1c9f n ARG 34 CO 0.00 0.00 0.00 0.87 -1.93 0.00 0.00 177.63 176.57 1c9f h LYS 35 N 0.00 0.08 0.38 5.56 1.57 -1.30 0.38 116.57 123.23 1c9f h LYS 35 Ca 0.00 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1c9f h LYS 35 Cb 0.00 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.30 1c9f h LYS 35 CO 0.00 0.05 -0.18 0.78 -0.57 0.00 0.00 179.45 179.53 1c9f h GLY 36 N 0.08 -0.53 2.00 3.86 0.00 -0.25 0.27 103.07 108.50 1c9f h GLY 36 Ca 0.80 0.20 0.00 0.00 0.00 0.00 0.00 47.33 48.33 1c9f h GLY 36 CO -0.28 -0.19 0.00 0.00 0.00 0.00 0.00 176.54 176.07 1c9f h VAL 38 N 0.00 1.11 0.00 0.00 2.07 -0.41 0.19 116.25 119.21 1c9f h VAL 38 Ca 0.00 -2.22 -0.06 0.00 0.82 0.00 0.00 66.70 65.25 1c9f h VAL 38 Cb 0.05 2.49 -0.01 0.00 -1.52 0.00 0.00 31.29 32.30 1c9f h VAL 38 CO 0.00 0.38 -0.27 0.03 0.02 0.00 0.00 177.57 177.73 1c9f h ARG 39 N -1.00 0.00 0.00 1.57 2.47 -0.54 -2.92 114.38 113.96 1c9f h ARG 39 Ca -0.27 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.45 1c9f h ARG 39 Cb 1.24 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.56 1c9f h ARG 39 CO -0.16 0.27 -1.86 1.19 0.56 0.00 0.00 179.97 179.97 1c9f n PHE 40 N -3.57 0.03 -2.77 3.04 3.01 0.07 -5.05 117.46 112.22 1c9f n PHE 40 Ca -0.01 0.01 -0.05 0.00 1.01 0.00 0.00 57.45 58.41 1c9f n PHE 40 Cb 0.41 -0.46 0.01 0.00 -0.01 0.00 0.00 39.48 39.42 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 -2.19 -2.68 -3.91 -1.08 6.02 0.60 -5.00 117.38 109.12 1c9f n GLN 41 Ca -0.03 2.30 -0.30 0.00 -0.01 0.00 0.00 57.00 58.95 1c9f n GLN 41 Cb 0.54 -5.48 -0.15 0.00 1.02 0.00 0.00 30.24 26.17 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 -2.25 3.40 0.66 1.08 1.98 -0.85 -5.01 118.68 117.69 1c9f s LEU 42 Ca 0.16 -1.73 -0.14 0.00 -2.89 0.00 0.00 54.13 49.53 1c9f s LEU 42 Cb -0.05 -1.28 -0.00 0.00 0.66 0.00 0.00 46.19 45.52 1c9f s LEU 42 CO 0.75 -0.35 1.09 -2.16 -1.89 0.00 0.00 176.35 173.79 1c9f s PRO 43 N 1.25 2.88 -0.05 0.98 0.04 -1.26 -4.98 135.00 133.85 1c9f s PRO 43 Ca 0.06 1.26 -0.25 0.00 0.04 0.00 0.00 61.00 62.11 1c9f s PRO 43 Cb -0.18 -1.97 -0.22 0.00 0.04 0.00 0.00 34.50 32.16 1c9f s PRO 43 CO -0.13 -1.17 1.07 1.98 0.04 0.00 0.00 177.00 178.79 1c9f h MET 44 N -0.10 0.11 -6.53 4.56 4.05 -1.99 -3.37 114.93 111.66 1c9f h MET 44 Ca -0.46 -0.10 -0.52 0.00 -0.28 0.00 0.00 59.70 58.33 1c9f h MET 44 Cb 1.23 0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 32.04 1c9f h MET 44 CO 0.55 0.81 0.36 -1.25 0.23 0.00 0.00 176.91 177.61 1c9f s PRO 45 N -3.35 4.66 -1.03 0.39 0.04 -1.26 -3.71 135.00 130.75 1c9f s PRO 45 Ca -0.16 1.44 -0.04 0.00 0.04 0.00 0.00 61.00 62.28 1c9f s PRO 45 Cb 0.01 -3.40 0.00 0.00 0.04 0.00 0.00 34.50 31.15 1c9f s PRO 45 CO 0.72 0.15 0.88 0.41 0.04 0.00 0.00 177.00 179.19 1c9f n GLY 46 N 2.41 -0.22 3.82 0.56 0.00 -1.26 -4.99 105.19 105.51 1c9f n GLY 46 Ca 0.03 0.03 -0.04 0.00 0.00 0.00 0.00 46.02 46.05 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 -3.61 -0.07 0.00 1.61 0.01 -1.24 -4.02 113.70 106.37 1c9f s SER 47 Ca 0.27 -0.59 0.00 0.00 1.31 0.00 0.00 55.95 56.93 1c9f s SER 47 Cb -0.12 0.52 0.00 0.00 0.21 0.00 0.00 66.02 66.63 1c9f s SER 47 CO 0.58 -1.00 0.00 0.54 0.41 0.00 0.00 173.24 173.77 1c9f n ARG 48 N -0.59 0.00 -3.88 12.44 5.12 0.82 -4.75 116.66 125.83 1c9f n ARG 48 Ca -0.05 0.00 -0.25 0.00 -1.93 0.00 0.00 57.85 55.62 1c9f n ARG 48 Cb 0.60 0.00 -0.02 0.00 -1.16 0.00 0.00 32.46 31.88 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 2.88 -0.12 0.55 1.02 -0.45 -0.51 118.68 122.05 1c9f s LEU 49 Ca 0.00 -1.14 -0.28 0.00 0.02 0.00 0.00 54.13 52.73 1c9f s LEU 49 Cb 0.00 -1.37 0.07 0.00 0.02 0.00 0.00 46.19 44.90 1c9f s LEU 49 CO 0.00 -0.94 0.66 0.00 0.02 0.00 0.00 176.35 176.09 1c9f s LEU 51 N -0.67 3.65 0.26 0.00 1.02 0.85 -0.57 118.68 123.22 1c9f s LEU 51 Ca -0.07 1.20 0.23 0.00 0.02 0.00 0.00 54.13 55.50 1c9f s LEU 51 Cb -0.02 -3.53 0.99 0.00 0.02 0.00 0.00 46.19 43.64 1c9f s LEU 51 CO 0.07 -1.45 1.70 0.00 0.02 0.00 0.00 176.35 176.68 1c9f n TYR 52 N 9.11 0.78 -0.24 0.29 9.36 -0.16 -0.85 117.16 135.45 1c9f n TYR 52 Ca 0.19 0.32 0.03 0.00 3.32 0.00 0.00 57.90 61.75 1c9f n TYR 52 Cb 0.47 -1.01 0.15 0.00 -0.63 0.00 0.00 39.34 38.32 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 0.48 0.00 2.98 4.81 -1.88 -3.38 114.58 117.59 1c9f h GLU 53 Ca 0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1c9f h GLU 53 Cb 0.33 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.60 1c9f h GLU 53 CO 0.00 0.32 -0.18 -3.47 -0.73 0.00 0.00 179.01 174.95 1c9f n ASP 54 N -4.95 0.82 0.00 1.04 -0.08 -1.17 -4.55 116.55 107.65 1c9f n ASP 54 Ca 0.12 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.40 1c9f n ASP 54 Cb 0.34 0.05 0.00 0.00 2.34 0.00 0.00 41.12 43.85 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 1.29 0.50 3.96 0.27 0.00 -0.03 -2.25 105.19 108.91 1c9f n GLY 55 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.87 2.40 -0.05 2.61 2.01 -0.94 -4.82 115.64 115.98 1c9f s THR 56 Ca 0.00 -0.47 0.06 0.00 0.31 0.00 0.00 61.69 61.59 1c9f s THR 56 Cb 0.00 -2.93 -0.01 0.00 0.01 0.00 0.00 72.50 69.57 1c9f s THR 56 CO 0.00 0.00 -0.24 -1.61 -0.69 0.00 0.00 174.62 172.08 1c9f s GLU 57 N -5.07 2.34 0.25 4.92 0.41 -1.26 -0.11 118.70 120.18 1c9f s GLU 57 Ca 0.61 -0.85 -0.17 0.00 -0.41 0.00 0.00 54.97 54.15 1c9f s GLU 57 Cb -0.09 -2.02 0.01 0.00 -1.78 0.00 0.00 34.13 30.25 1c9f s GLU 57 CO 0.42 0.38 0.57 0.08 -0.49 0.00 0.00 175.26 176.22 1c9f s VAL 58 N -0.18 0.01 0.25 2.63 1.01 0.20 -4.83 120.40 119.49 1c9f s VAL 58 Ca -0.02 -1.13 0.08 0.00 0.00 0.00 0.00 61.98 60.92 1c9f s VAL 58 Cb -0.13 -1.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.23 1c9f s VAL 58 CO 0.03 -0.03 0.07 0.42 0.00 0.00 0.00 175.10 175.59 1c9f s THR 59 N -3.95 3.85 -1.20 3.92 -4.23 -1.26 -1.34 115.64 111.42 1c9f s THR 59 Ca 0.16 -1.68 0.10 0.00 -1.18 0.00 0.00 61.69 59.09 1c9f s THR 59 Cb -0.02 -3.05 0.13 0.00 1.34 0.00 0.00 72.50 70.89 1c9f s THR 59 CO 0.06 -0.34 1.28 -0.90 -0.54 0.00 0.00 174.62 174.18 1c9f n ASP 60 N -0.92 0.00 -0.01 3.99 5.75 -1.26 -2.02 116.55 122.08 1c9f n ASP 60 Ca -0.07 0.33 0.08 0.00 -0.01 0.00 0.00 54.79 55.12 1c9f n ASP 60 Cb 0.58 -0.40 -0.11 0.00 -1.03 0.00 0.00 41.12 40.16 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 -1.40 1.16 0.06 -1.12 -0.08 -1.26 -4.53 116.55 109.38 1c9f n ASP 61 Ca 0.04 -0.25 -0.22 0.00 -1.51 0.00 0.00 54.79 52.84 1c9f n ASP 61 Cb 0.10 1.52 -0.15 0.00 2.34 0.00 0.00 41.12 44.94 1c9f n ASP 61 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1c9f n PHE 63 N -3.76 0.57 0.00 0.00 3.72 -1.12 -4.82 117.46 112.05 1c9f n PHE 63 Ca -0.23 0.39 0.00 0.00 -0.05 0.00 0.00 57.45 57.56 1c9f n PHE 63 Cb 1.00 -2.38 0.00 0.00 -0.94 0.00 0.00 39.48 37.16 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 8.48 0.00 -3.21 -1.08 -0.04 -1.26 -4.79 135.00 133.10 1c9f n PRO 64 Ca 0.66 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.86 1c9f n PRO 64 Cb 0.03 -0.14 -0.06 0.00 -0.04 0.00 0.00 33.50 33.29 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 2.34 4.57 3.08 0.55 0.00 -1.26 -4.77 105.19 109.70 1c9f n GLY 65 Ca 0.00 -2.44 -0.36 0.00 0.00 0.00 0.00 46.02 43.22 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 0.55 -4.12 0.00 0.99 4.77 -1.26 -4.96 117.00 112.97 1c9f n LEU 66 Ca 0.28 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.39 1c9f n LEU 66 Cb 0.46 -0.77 0.00 0.00 -2.33 0.00 0.00 43.42 40.77 1c9f n LEU 66 CO 0.32 -4.55 0.00 -0.81 -1.33 0.00 0.00 177.39 171.03 1c9f n PRO 67 N 1.53 0.56 -2.49 3.23 -0.04 -1.26 -4.90 135.00 131.62 1c9f n PRO 67 Ca -0.01 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.11 1c9f n PRO 67 Cb 0.61 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 34.04 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 -1.35 6.25 -1.48 3.54 2.47 -1.26 -3.26 114.94 119.85 1c9f s ASN 68 Ca 0.00 1.94 -0.17 0.00 0.42 0.00 0.00 52.86 55.05 1c9f s ASN 68 Cb 0.00 -2.56 0.16 0.00 -1.45 0.00 0.00 41.25 37.40 1c9f s ASN 68 CO 0.00 -0.84 0.53 0.47 -3.72 0.00 0.00 177.10 173.54 1c9f n ASP 69 N -1.06 -2.29 -4.49 -4.21 8.00 0.38 -4.59 116.55 108.29 1c9f n ASP 69 Ca 0.09 -0.81 -0.42 0.00 0.71 0.00 0.00 54.79 54.36 1c9f n ASP 69 Cb 0.52 -1.96 -0.14 0.00 -0.02 0.00 0.00 41.12 39.52 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 -3.81 0.31 -2.15 2.24 0.00 -0.31 -3.72 120.51 113.07 1c9f n ALA 70 Ca 0.07 -0.29 -0.41 0.00 0.00 0.00 0.00 53.44 52.81 1c9f n ALA 70 Cb 0.48 -2.31 -0.03 0.00 0.00 0.00 0.00 19.45 17.59 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 8.80 3.16 0.36 0.00 2.12 -1.26 -1.37 118.70 130.51 1c9f s GLU 71 Ca 1.33 0.91 0.08 0.00 0.36 0.00 0.00 54.97 57.66 1c9f s GLU 71 Cb -1.22 -4.21 -0.04 0.00 0.26 0.00 0.00 34.13 28.92 1c9f s GLU 71 CO 0.49 -2.08 0.18 -0.51 -0.54 0.00 0.00 175.26 172.80 1c9f s LEU 72 N 7.11 3.26 -0.04 2.70 1.02 -0.51 -0.99 118.68 131.24 1c9f s LEU 72 Ca 0.68 -0.81 -0.03 0.00 0.02 0.00 0.00 54.13 53.98 1c9f s LEU 72 Cb -0.16 -1.73 0.01 0.00 0.02 0.00 0.00 46.19 44.33 1c9f s LEU 72 CO 0.28 -0.38 0.09 -0.22 0.02 0.00 0.00 176.35 176.14 1c9f s LEU 73 N -3.89 1.53 0.34 1.79 2.96 0.27 -0.35 118.68 121.33 1c9f s LEU 73 Ca 0.39 0.18 -0.23 0.00 -0.22 0.00 0.00 54.13 54.25 1c9f s LEU 73 Cb -0.02 0.28 -0.10 0.00 0.50 0.00 0.00 46.19 46.86 1c9f s LEU 73 CO 0.23 -0.05 0.91 -0.22 -1.32 0.00 0.00 176.35 175.91 1c9f s LEU 74 N 0.23 4.21 0.14 -0.68 2.96 0.24 -1.45 118.68 124.33 1c9f s LEU 74 Ca -0.02 1.72 -0.21 0.00 -0.22 0.00 0.00 54.13 55.41 1c9f s LEU 74 Cb -0.03 -4.12 0.06 0.00 0.50 0.00 0.00 46.19 42.60 1c9f s LEU 74 CO -0.01 -0.15 0.54 -0.22 -1.32 0.00 0.00 176.35 175.19 1c9f s LEU 75 N -2.41 -0.24 0.30 -0.68 0.20 0.34 -3.63 118.68 112.55 1c9f s LEU 75 Ca 0.53 -0.07 -0.09 0.00 0.69 0.00 0.00 54.13 55.19 1c9f s LEU 75 Cb -0.15 2.34 0.00 0.00 -0.43 0.00 0.00 46.19 47.95 1c9f s LEU 75 CO 0.20 -0.91 0.50 0.42 -0.29 0.00 0.00 176.35 176.27 1c9f s THR 76 N -3.63 0.00 0.61 3.68 -4.23 -1.25 -0.13 115.64 110.69 1c9f s THR 76 Ca 0.01 -1.45 0.28 0.00 -1.18 0.00 0.00 61.69 59.35 1c9f s THR 76 Cb -0.00 -2.45 0.35 0.00 1.34 0.00 0.00 72.50 71.74 1c9f s THR 76 CO -0.11 0.00 1.86 0.00 -0.54 0.00 0.00 174.62 175.82 1c9f h ALA 77 N 2.18 2.02 -0.46 3.99 0.00 -1.86 1.35 119.26 126.48 1c9f h ALA 77 Ca -0.28 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1c9f h ALA 77 Cb 1.25 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1c9f h ALA 77 CO 0.38 -0.68 0.00 0.41 0.00 0.00 0.00 179.25 179.36 1c9f n GLY 78 N -1.45 2.50 3.32 0.00 0.00 -1.26 -4.91 105.19 103.38 1c9f n GLY 78 Ca 0.06 -0.70 -0.10 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.19 1.06 -0.18 1.61 2.02 0.46 -5.15 118.70 116.34 1c9f s GLU 79 Ca 0.41 -0.85 -0.23 0.00 0.02 0.00 0.00 54.97 54.33 1c9f s GLU 79 Cb 0.30 0.43 0.06 0.00 0.10 0.00 0.00 34.13 35.02 1c9f s GLU 79 CO 0.14 -0.40 0.61 0.95 0.02 0.00 0.00 175.26 176.58 1c9f s THR 80 N -3.85 0.00 -0.09 3.63 -4.23 -1.26 -4.09 115.64 105.76 1c9f s THR 80 Ca 0.06 -0.03 0.03 0.00 -1.18 0.00 0.00 61.69 60.56 1c9f s THR 80 Cb 0.02 -0.87 -0.01 0.00 1.34 0.00 0.00 72.50 72.98 1c9f s THR 80 CO -0.09 -0.02 -0.18 0.86 -0.54 0.00 0.00 174.62 174.65 1c9f s TRP 81 N -0.09 2.67 0.00 3.99 -0.00 -1.26 -5.06 118.94 119.19 1c9f s TRP 81 Ca -0.03 -0.63 0.00 0.00 -0.00 0.00 0.00 56.10 55.44 1c9f s TRP 81 Cb -0.04 -1.73 0.00 0.00 -0.00 0.00 0.00 33.47 31.71 1c9f s TRP 81 CO 0.03 -0.16 0.00 0.72 -0.00 0.00 0.00 176.95 177.53 1c9f n HIS 82 N 3.16 0.00 -3.55 5.86 8.25 -1.26 -4.95 115.22 122.72 1c9f n HIS 82 Ca -0.18 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.18 1c9f n HIS 82 Cb 0.52 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.60 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 -0.98 -0.35 -0.73 -1.41 0.00 -1.26 -4.39 107.32 98.21 1c9f s GLY 83 Ca 0.00 1.62 -0.19 0.00 0.00 0.00 0.00 44.72 46.15 1c9f s GLY 83 CO 0.00 0.75 0.89 -0.47 0.00 0.00 0.00 173.10 174.26 1c9f s TYR 84 N -1.91 3.05 0.24 1.90 5.04 -0.96 -4.93 117.35 119.79 1c9f s TYR 84 Ca 0.01 -1.12 -0.08 0.00 -2.44 0.00 0.00 57.07 53.44 1c9f s TYR 84 Cb -0.01 -4.13 -0.06 0.00 0.35 0.00 0.00 41.96 38.11 1c9f s TYR 84 CO -0.02 -1.39 0.54 0.14 -1.34 0.00 0.00 175.55 173.48 1c9f s VAL 85 N 2.68 4.98 -1.11 3.14 -7.23 -1.26 -4.82 120.40 116.78 1c9f s VAL 85 Ca 0.20 0.31 -0.07 0.00 -1.81 0.00 0.00 61.98 60.61 1c9f s VAL 85 Cb -0.16 -3.65 0.29 0.00 0.56 0.00 0.00 36.38 33.42 1c9f s VAL 85 CO 0.01 -0.15 1.34 -1.20 -0.31 0.00 0.00 175.10 174.79 1c9f n SER 86 N -0.38 5.98 -0.37 4.85 7.64 -1.26 -5.23 113.62 124.85 1c9f n SER 86 Ca -0.00 -3.24 0.14 0.00 1.01 0.00 0.00 58.87 56.78 1c9f n SER 86 Cb 0.53 -1.33 0.62 0.00 -1.01 0.00 0.00 64.21 63.02 1c9f n SER 86 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36