#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1e08 n GLY 3 N 0.00 0.80 0.23 0.27 0.00 -1.26 -4.25 105.19 100.98 1e08 n GLY 3 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1e08 n GLY 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1e08 h ALA 4 N 0.00 -0.50 -0.58 4.61 0.00 -1.99 0.12 119.26 120.92 1e08 h ALA 4 Ca 0.00 -0.13 -0.42 0.00 0.00 0.00 0.00 54.91 54.35 1e08 h ALA 4 Cb 0.00 0.19 -0.17 0.00 0.00 0.00 0.00 17.79 17.81 1e08 h ALA 4 CO 0.00 -0.48 0.49 0.00 0.00 0.00 0.00 179.25 179.26 1e08 n ALA 5 N -2.71 5.63 0.00 0.00 0.00 -1.26 -0.86 120.51 121.30 1e08 n ALA 5 Ca -0.07 -2.29 0.00 0.00 0.00 0.00 0.00 53.44 51.09 1e08 n ALA 5 Cb 0.22 -1.62 0.00 0.00 0.00 0.00 0.00 19.45 18.05 1e08 n ALA 5 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1e08 n LEU 6 N 0.27 0.26 -0.14 0.00 4.77 -1.17 -4.65 117.00 116.33 1e08 n LEU 6 Ca 0.39 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 56.26 1e08 n LEU 6 Cb 0.57 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.65 1e08 n LEU 6 CO 0.43 -0.14 0.65 0.22 -1.33 0.00 0.00 177.39 177.22 1e08 h TYR 7 N 0.00 1.07 -0.00 -1.77 3.20 -0.33 -2.11 116.97 117.02 1e08 h TYR 7 Ca 0.00 -0.27 0.00 0.00 3.14 0.00 0.00 58.73 61.60 1e08 h TYR 7 Cb 0.57 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.60 1e08 h TYR 7 CO 0.00 1.07 0.00 0.36 -1.64 0.00 0.00 178.16 177.95 1e08 n LYS 8 N -4.16 1.07 -0.32 1.82 2.85 -0.04 -0.98 118.16 118.39 1e08 n LYS 8 Ca -0.01 -0.10 0.09 0.00 -1.05 0.00 0.00 58.31 57.24 1e08 n LYS 8 Cb 0.46 -1.49 0.30 0.00 -0.65 0.00 0.00 35.03 33.65 1e08 n LYS 8 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1e08 h SER 9 N 0.24 0.82 -0.27 -5.58 4.64 -1.60 -2.41 113.55 109.39 1e08 h SER 9 Ca 0.00 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1e08 h SER 9 Cb 0.05 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 1e08 h SER 9 CO 0.00 0.42 0.00 0.00 -0.87 0.00 0.00 176.83 176.38 1e08 h ILE 11 N 3.14 0.67 0.00 0.00 6.09 -1.53 -1.11 117.51 124.78 1e08 h ILE 11 Ca 0.00 -1.17 0.00 0.00 -1.37 0.00 0.00 64.86 62.32 1e08 h ILE 11 Cb 0.69 1.76 0.00 0.00 0.47 0.00 0.00 36.82 39.74 1e08 h ILE 11 CO 0.00 0.25 0.00 1.23 -3.07 0.00 0.00 178.15 176.56 1e08 h GLY 12 N 1.90 0.00 0.41 8.18 0.00 -1.81 0.31 103.07 112.06 1e08 h GLY 12 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1e08 h GLY 12 CO 0.03 0.00 -0.81 0.00 0.00 0.00 0.00 176.54 175.76 1e08 n HIS 14 N -1.52 0.00 0.00 0.00 -0.00 0.00 -0.26 115.22 113.45 1e08 n HIS 14 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.76 1e08 n HIS 14 Cb 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.33 1e08 n HIS 14 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1e08 n GLY 15 N 1.36 2.09 0.00 -1.41 0.00 0.90 -1.52 105.19 106.61 1e08 n GLY 15 Ca 0.00 -1.86 0.14 0.00 0.00 0.00 0.00 46.02 44.29 1e08 n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1e08 n ALA 16 N 1.89 2.34 -0.04 4.61 0.00 -1.26 -0.49 120.51 127.55 1e08 n ALA 16 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1e08 n ALA 16 Cb 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 17.99 1e08 n ALA 16 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1e08 n ASP 17 N -1.40 1.37 0.00 0.00 8.00 -1.26 -4.93 116.55 118.33 1e08 n ASP 17 Ca 0.10 -1.41 0.00 0.00 0.71 0.00 0.00 54.79 54.19 1e08 n ASP 17 Cb 0.28 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.38 1e08 n ASP 17 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1e08 n GLY 18 N -0.20 0.40 0.01 0.44 0.00 0.36 -4.46 105.19 101.72 1e08 n GLY 18 Ca 0.00 -0.88 0.10 0.00 0.00 0.00 0.00 46.02 45.24 1e08 n GLY 18 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1e08 n SER 19 N 1.96 0.66 -4.92 1.61 3.41 -1.08 -0.62 113.62 114.65 1e08 n SER 19 Ca 0.00 -0.63 -0.26 0.00 -0.26 0.00 0.00 58.87 57.72 1e08 n SER 19 Cb 0.47 1.28 -0.01 0.00 -0.26 0.00 0.00 64.21 65.69 1e08 n SER 19 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1e08 s LYS 20 N -3.17 3.53 -0.12 4.33 2.20 -0.57 -4.85 119.74 121.07 1e08 s LYS 20 Ca 0.03 -0.03 -0.29 0.00 -0.36 0.00 0.00 55.97 55.32 1e08 s LYS 20 Cb 0.15 -2.51 -0.04 0.00 -1.51 0.00 0.00 37.83 33.92 1e08 s LYS 20 CO 0.87 -0.04 1.64 0.00 -0.36 0.00 0.00 175.35 177.47 1e08 s ALA 21 N -2.53 3.47 0.32 3.13 0.00 -1.26 -3.65 121.76 121.23 1e08 s ALA 21 Ca 0.44 0.74 -0.29 0.00 0.00 0.00 0.00 51.96 52.85 1e08 s ALA 21 Cb -0.10 -3.79 -0.12 0.00 0.00 0.00 0.00 23.12 19.11 1e08 s ALA 21 CO 0.40 -1.63 1.53 0.00 0.00 0.00 0.00 175.76 176.06 1e08 n ALA 22 N 7.73 2.30 -0.35 0.00 0.00 0.01 -4.64 120.51 125.56 1e08 n ALA 22 Ca 0.18 0.37 0.24 0.00 0.00 0.00 0.00 53.44 54.23 1e08 n ALA 22 Cb 0.44 -2.42 0.48 0.00 0.00 0.00 0.00 19.45 17.95 1e08 n ALA 22 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 1e08 h MET 23 N 4.06 0.35 -1.69 0.00 4.05 -0.96 0.71 114.93 121.44 1e08 h MET 23 Ca -0.48 -0.02 -0.30 0.00 -0.28 0.00 0.00 59.70 58.62 1e08 h MET 23 Cb 1.24 -0.08 -0.12 0.00 -0.80 0.00 0.00 31.60 31.84 1e08 h MET 23 CO 0.73 0.23 0.31 0.41 0.23 0.00 0.00 176.91 178.82 1e08 n GLY 24 N -1.35 3.86 3.64 1.39 0.00 -1.26 -4.74 105.19 106.73 1e08 n GLY 24 Ca 0.31 -1.08 -0.21 0.00 0.00 0.00 0.00 46.02 45.04 1e08 n GLY 24 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1e08 n SER 25 N 0.71 -2.27 -0.72 1.61 7.64 -0.82 -4.81 113.62 114.97 1e08 n SER 25 Ca 0.30 -0.74 0.00 0.00 1.01 0.00 0.00 58.87 59.44 1e08 n SER 25 Cb 0.58 -4.42 0.00 0.00 -1.01 0.00 0.00 64.21 59.36 1e08 n SER 25 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1e08 n ALA 26 N -4.34 0.00 -1.97 -0.43 0.00 0.18 -4.95 120.51 108.99 1e08 n ALA 26 Ca -0.23 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 52.99 1e08 n ALA 26 Cb 0.65 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.14 1e08 n ALA 26 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1e08 s LYS 27 N 2.40 2.45 0.37 0.00 1.02 -1.26 -3.81 119.74 120.90 1e08 s LYS 27 Ca 0.00 -0.80 -0.28 0.00 0.02 0.00 0.00 55.97 54.91 1e08 s LYS 27 Cb 0.00 -2.46 -0.10 0.00 -0.52 0.00 0.00 37.83 34.74 1e08 s LYS 27 CO 0.00 -0.80 1.43 -1.25 -0.92 0.00 0.00 175.35 173.81 1e08 s PRO 28 N -4.81 4.12 -0.14 -1.68 0.04 -1.24 -0.81 135.00 130.47 1e08 s PRO 28 Ca 0.58 2.45 -0.28 0.00 0.04 0.00 0.00 61.00 63.80 1e08 s PRO 28 Cb -0.10 -2.95 -0.26 0.00 0.04 0.00 0.00 34.50 31.23 1e08 s PRO 28 CO 0.39 -0.48 0.72 0.28 0.04 0.00 0.00 177.00 177.95 1e08 h VAL 29 N 2.90 1.68 -2.99 -0.36 2.07 -1.10 -3.34 116.25 115.11 1e08 h VAL 29 Ca -0.50 -2.34 -0.55 0.00 0.82 0.00 0.00 66.70 64.12 1e08 h VAL 29 Cb 1.24 3.26 -0.06 0.00 -1.52 0.00 0.00 31.29 34.21 1e08 h VAL 29 CO 0.64 0.59 1.10 -0.75 0.02 0.00 0.00 177.57 179.17 1e08 s LYS 30 N -2.25 3.39 0.00 1.57 2.20 0.21 -1.44 119.74 123.43 1e08 s LYS 30 Ca -0.20 0.68 0.00 0.00 -0.36 0.00 0.00 55.97 56.09 1e08 s LYS 30 Cb -0.02 -4.09 0.00 0.00 -1.51 0.00 0.00 37.83 32.21 1e08 s LYS 30 CO 0.69 -1.81 0.00 0.41 -0.36 0.00 0.00 175.35 174.28 1e08 n GLY 31 N 5.20 1.46 3.98 5.54 0.00 -1.26 -4.76 105.19 115.35 1e08 n GLY 31 Ca 0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 1e08 n GLY 31 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1e08 n GLN 32 N 0.00 -0.10 -4.00 1.61 6.02 -0.52 -5.10 117.38 115.29 1e08 n GLN 32 Ca 0.00 -2.80 -0.10 0.00 -0.01 0.00 0.00 57.00 54.09 1e08 n GLN 32 Cb 0.00 -0.66 -0.08 0.00 1.02 0.00 0.00 30.24 30.52 1e08 n GLN 32 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1e08 s GLY 33 N -5.16 0.60 0.13 1.08 0.00 -1.26 -4.96 107.32 97.75 1e08 s GLY 33 Ca 0.68 -1.02 -0.16 0.00 0.00 0.00 0.00 44.72 44.22 1e08 s GLY 33 CO 0.45 -0.95 1.02 0.00 0.00 0.00 0.00 173.10 173.61 1e08 n ALA 34 N -0.19 -0.26 -0.18 3.20 0.00 -1.26 -1.23 120.51 120.59 1e08 n ALA 34 Ca -0.07 0.61 -0.09 0.00 0.00 0.00 0.00 53.44 53.89 1e08 n ALA 34 Cb 0.63 -0.19 0.01 0.00 0.00 0.00 0.00 19.45 19.90 1e08 n ALA 34 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1e08 h GLU 35 N 0.00 0.87 -0.20 0.00 4.81 -1.98 0.24 114.58 118.31 1e08 h GLU 35 Ca 0.17 -0.25 -0.10 0.00 -0.13 0.00 0.00 59.36 59.05 1e08 h GLU 35 Cb 0.33 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.61 1e08 h GLU 35 CO -0.64 0.87 -0.28 1.49 -0.73 0.00 0.00 179.01 179.72 1e08 h GLU 36 N 0.74 0.55 -0.02 1.92 4.81 -1.60 -0.02 114.58 120.97 1e08 h GLU 36 Ca 0.15 -0.32 -0.00 0.00 -0.13 0.00 0.00 59.36 59.06 1e08 h GLU 36 Cb 0.44 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.84 1e08 h GLU 36 CO 0.01 0.92 0.01 -0.07 -0.73 0.00 0.00 179.01 179.15 1e08 h LEU 37 N 0.22 0.02 -0.46 1.64 3.38 -1.16 -1.13 115.31 117.83 1e08 h LEU 37 Ca 0.02 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1e08 h LEU 37 Cb 0.85 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 1e08 h LEU 37 CO 0.07 0.06 0.29 0.22 0.09 0.00 0.00 178.44 179.17 1e08 h TYR 38 N -0.02 0.58 0.08 1.13 3.20 -0.38 0.80 116.97 122.36 1e08 h TYR 38 Ca 0.01 0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.89 1e08 h TYR 38 Cb 0.05 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.11 1e08 h TYR 38 CO -0.06 0.38 -0.10 -0.22 -1.64 0.00 0.00 178.16 176.52 1e08 h LYS 39 N 0.61 -0.20 -0.06 1.82 3.64 -0.71 0.21 116.57 121.89 1e08 h LYS 39 Ca 0.17 0.01 -0.19 0.00 -1.27 0.00 0.00 60.65 59.37 1e08 h LYS 39 Cb -0.05 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 31.81 1e08 h LYS 39 CO -0.03 -0.13 -0.78 0.87 -2.27 0.00 0.00 179.45 177.11 1e08 h LYS 40 N -0.21 0.40 -0.25 1.90 1.57 -0.94 0.17 116.57 119.22 1e08 h LYS 40 Ca 0.01 -0.35 -0.05 0.00 -1.87 0.00 0.00 60.65 58.39 1e08 h LYS 40 Cb 0.21 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 1e08 h LYS 40 CO -0.04 1.00 -0.04 1.98 -0.57 0.00 0.00 179.45 181.78 1e08 h MET 41 N 0.26 0.46 -0.16 3.15 4.05 -0.67 -1.94 114.93 120.09 1e08 h MET 41 Ca -0.04 -0.17 -0.19 0.00 -0.28 0.00 0.00 59.70 59.02 1e08 h MET 41 Cb 1.37 -0.03 0.01 0.00 -0.80 0.00 0.00 31.60 32.14 1e08 h MET 41 CO 0.13 0.67 -0.64 -0.22 0.23 0.00 0.00 176.91 177.08 1e08 h LYS 42 N 0.22 0.72 0.00 0.39 3.64 -0.46 -3.14 116.57 117.94 1e08 h LYS 42 Ca 0.07 -0.56 -0.01 0.00 -1.27 0.00 0.00 60.65 58.88 1e08 h LYS 42 Cb 0.48 0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.41 1e08 h LYS 42 CO 0.02 1.17 -0.07 0.78 -2.27 0.00 0.00 179.45 179.08 1e08 h GLY 43 N 0.42 0.00 0.54 5.01 0.00 -0.61 -0.55 103.07 107.88 1e08 h GLY 43 Ca -0.03 0.00 0.10 0.00 0.00 0.00 0.00 47.33 47.40 1e08 h GLY 43 CO 0.13 0.00 0.61 -1.82 0.00 0.00 0.00 176.54 175.47 1e08 h TYR 44 N 0.00 1.12 -0.00 5.60 5.03 -1.29 0.17 116.97 127.60 1e08 h TYR 44 Ca -0.00 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.34 1e08 h TYR 44 Cb 0.13 -0.36 0.00 0.00 1.55 0.00 0.00 36.73 38.06 1e08 h TYR 44 CO 0.00 0.48 -0.11 0.00 -1.32 0.00 0.00 178.16 177.21 1e08 n ALA 45 N -2.36 2.64 0.61 1.82 0.00 -0.21 -2.03 120.51 120.98 1e08 n ALA 45 Ca 0.17 -0.17 0.10 0.00 0.00 0.00 0.00 53.44 53.54 1e08 n ALA 45 Cb 0.30 -1.39 0.11 0.00 0.00 0.00 0.00 19.45 18.48 1e08 n ALA 45 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1e08 n ASP 46 N -1.42 2.80 -0.27 0.00 8.00 -0.47 -4.94 116.55 120.26 1e08 n ASP 46 Ca 0.08 -1.85 -0.04 0.00 0.71 0.00 0.00 54.79 53.70 1e08 n ASP 46 Cb 0.32 -0.07 -0.02 0.00 -0.02 0.00 0.00 41.12 41.33 1e08 n ASP 46 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1e08 n GLY 47 N 1.13 0.65 0.89 0.44 0.00 -0.79 -4.87 105.19 102.64 1e08 n GLY 47 Ca 0.13 -0.76 0.11 0.00 0.00 0.00 0.00 46.02 45.50 1e08 n GLY 47 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1e08 n SER 48 N 1.12 2.86 -3.89 1.61 7.64 0.47 -4.81 113.62 118.63 1e08 n SER 48 Ca -0.04 -1.93 -0.09 0.00 1.01 0.00 0.00 58.87 57.82 1e08 n SER 48 Cb 0.13 0.01 -0.07 0.00 -1.01 0.00 0.00 64.21 63.28 1e08 n SER 48 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1e08 s TYR 49 N -1.90 0.25 -0.04 1.43 5.04 -1.09 -4.80 117.35 116.23 1e08 s TYR 49 Ca 0.26 -0.63 -0.31 0.00 -2.44 0.00 0.00 57.07 53.96 1e08 s TYR 49 Cb 0.19 -0.01 0.12 0.00 0.35 0.00 0.00 41.96 42.61 1e08 s TYR 49 CO 0.29 -0.68 1.33 0.20 -1.34 0.00 0.00 175.55 175.35 1e08 s GLY 50 N -2.92 -0.36 0.00 8.97 0.00 -1.26 -4.06 107.32 107.69 1e08 s GLY 50 Ca 0.12 0.58 0.00 0.00 0.00 0.00 0.00 44.72 45.42 1e08 s GLY 50 CO -0.04 1.79 0.00 0.61 0.00 0.00 0.00 173.10 175.46 1e08 n GLY 51 N -0.62 -0.73 0.11 0.20 0.00 -1.26 -5.03 105.19 97.85 1e08 n GLY 51 Ca -0.05 -0.37 -0.15 0.00 0.00 0.00 0.00 46.02 45.45 1e08 n GLY 51 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1e08 h GLU 52 N 0.00 0.18 -2.47 1.61 5.08 -2.02 -3.37 114.58 113.58 1e08 h GLU 52 Ca 0.00 -0.30 -0.68 0.00 -1.00 0.00 0.00 59.36 57.37 1e08 h GLU 52 Cb 0.00 0.11 -0.13 0.00 0.50 0.00 0.00 28.75 29.23 1e08 h GLU 52 CO 0.00 0.98 1.94 0.54 -1.00 0.00 0.00 179.01 181.47 1e08 n ARG 53 N -3.35 4.09 0.05 2.33 5.12 -1.26 -4.65 116.66 119.00 1e08 n ARG 53 Ca -0.19 -3.19 0.13 0.00 -1.93 0.00 0.00 57.85 52.67 1e08 n ARG 53 Cb 1.04 -2.52 0.46 0.00 -1.16 0.00 0.00 32.46 30.29 1e08 n ARG 53 CO 0.00 0.00 0.00 0.36 -1.93 0.00 0.00 177.63 176.06 1e08 n LYS 54 N 1.54 0.15 -0.10 5.56 2.85 -1.26 -0.37 118.16 126.52 1e08 n LYS 54 Ca 0.59 0.11 -0.12 0.00 -1.05 0.00 0.00 58.31 57.84 1e08 n LYS 54 Cb 0.32 -1.66 -0.12 0.00 -0.65 0.00 0.00 35.03 32.92 1e08 n LYS 54 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1e08 n ALA 55 N -1.66 1.54 0.02 0.58 0.00 -1.26 -4.53 120.51 115.20 1e08 n ALA 55 Ca 0.06 -1.03 -0.19 0.00 0.00 0.00 0.00 53.44 52.28 1e08 n ALA 55 Cb 0.39 -0.06 -0.10 0.00 0.00 0.00 0.00 19.45 19.68 1e08 n ALA 55 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1e08 h MET 56 N 0.00 0.66 -0.03 0.00 2.86 -1.64 0.37 114.93 117.15 1e08 h MET 56 Ca -0.48 -0.66 -0.12 0.00 -2.06 0.00 0.00 59.70 56.38 1e08 h MET 56 Cb 1.90 0.17 0.01 0.00 0.06 0.00 0.00 31.60 33.74 1e08 h MET 56 CO -0.03 1.25 -0.44 0.52 1.06 0.00 0.00 176.91 179.28 1e08 h MET 57 N 0.31 0.35 -0.93 1.72 2.86 -1.01 -3.29 114.93 114.95 1e08 h MET 57 Ca -0.10 -0.34 0.04 0.00 -2.06 0.00 0.00 59.70 57.25 1e08 h MET 57 Cb 1.53 0.08 -0.05 0.00 0.06 0.00 0.00 31.60 33.22 1e08 h MET 57 CO 0.17 1.00 0.61 1.15 1.06 0.00 0.00 176.91 180.90 1e08 h THR 58 N -0.17 1.14 -0.75 2.22 2.02 -1.68 -0.29 112.91 115.41 1e08 h THR 58 Ca -0.04 -0.39 0.13 0.00 0.77 0.00 0.00 66.41 66.88 1e08 h THR 58 Cb 1.13 -0.11 -0.14 0.00 -1.74 0.00 0.00 68.15 67.30 1e08 h THR 58 CO 0.09 0.21 -0.29 -1.13 0.37 0.00 0.00 175.52 174.76 1e08 h ASN 59 N 1.15 -1.05 -0.33 4.18 -1.24 -0.99 0.52 115.58 117.81 1e08 h ASN 59 Ca 0.37 0.25 -0.15 0.00 0.71 0.00 0.00 56.30 57.48 1e08 h ASN 59 Cb 0.05 0.58 -0.01 0.00 0.73 0.00 0.00 38.32 39.67 1e08 h ASN 59 CO -0.12 -0.29 -0.37 0.00 -1.29 0.00 0.00 177.43 175.37 1e08 h ALA 60 N 1.37 0.64 -0.66 1.57 0.00 -1.15 -0.44 119.26 120.59 1e08 h ALA 60 Ca 0.31 -0.44 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 1e08 h ALA 60 Cb 0.57 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1e08 h ALA 60 CO -0.79 0.67 0.15 0.28 0.00 0.00 0.00 179.25 179.56 1e08 h VAL 61 N 0.72 1.26 -0.08 0.00 2.07 -0.97 -0.52 116.25 118.73 1e08 h VAL 61 Ca 0.06 -0.97 -0.15 0.00 0.82 0.00 0.00 66.70 66.46 1e08 h VAL 61 Cb 0.94 0.61 0.01 0.00 -1.52 0.00 0.00 31.29 31.34 1e08 h VAL 61 CO 0.09 0.37 -0.55 0.11 0.02 0.00 0.00 177.57 177.61 1e08 h LYS 62 N 1.00 0.52 0.00 1.57 1.57 -0.64 -3.33 116.57 117.25 1e08 h LYS 62 Ca 0.21 -0.44 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 1e08 h LYS 62 Cb 0.38 0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.79 1e08 h LYS 62 CO 0.00 1.08 -0.64 1.57 -0.57 0.00 0.00 179.45 180.89 1e08 h LYS 63 N 0.10 0.00 -1.80 3.15 2.10 -0.88 -3.24 116.57 116.00 1e08 h LYS 63 Ca -0.05 0.00 -0.72 0.00 -2.00 0.00 0.00 60.65 57.89 1e08 h LYS 63 Cb 1.20 0.00 -0.31 0.00 -0.90 0.00 0.00 32.23 32.22 1e08 h LYS 63 CO 0.11 0.00 0.61 0.66 -2.00 0.00 0.00 179.45 178.84 1e08 n TYR 64 N -2.40 3.09 -1.51 0.07 4.01 -0.22 -5.01 117.16 115.19 1e08 n TYR 64 Ca 0.02 -2.54 -0.51 0.00 -0.16 0.00 0.00 57.90 54.71 1e08 n TYR 64 Cb 0.48 -0.94 -0.07 0.00 -0.31 0.00 0.00 39.34 38.51 1e08 n TYR 64 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1e08 n SER 65 N -0.55 2.37 0.00 7.72 7.64 -1.22 -0.95 113.62 128.62 1e08 n SER 65 Ca 0.51 0.53 0.00 0.00 1.01 0.00 0.00 58.87 60.92 1e08 n SER 65 Cb 0.37 -1.28 0.00 0.00 -1.01 0.00 0.00 64.21 62.29 1e08 n SER 65 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1e08 n ASP 66 N 9.14 0.00 0.00 6.43 2.03 -1.26 -3.88 116.55 129.01 1e08 n ASP 66 Ca 0.37 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.68 1e08 n ASP 66 Cb 0.24 -0.16 0.00 0.00 -0.72 0.00 0.00 41.12 40.48 1e08 n ASP 66 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1e08 n GLU 67 N -0.21 2.24 0.09 -0.67 0.00 -1.25 -4.49 120.64 116.35 1e08 n GLU 67 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 57.16 57.01 1e08 n GLU 67 Cb 0.00 -0.97 -0.11 0.00 0.00 0.00 0.00 31.44 30.36 1e08 n GLU 67 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 1e08 h GLU 68 N 0.00 0.30 -0.57 5.31 5.08 -1.63 -1.31 114.58 121.76 1e08 h GLU 68 Ca 0.00 -0.44 0.05 0.00 -1.00 0.00 0.00 59.36 57.97 1e08 h GLU 68 Cb 0.95 0.15 -0.05 0.00 0.50 0.00 0.00 28.75 30.30 1e08 h GLU 68 CO 0.00 1.17 0.31 -0.07 -1.00 0.00 0.00 179.01 179.42 1e08 h LEU 69 N 0.11 0.46 -0.57 1.33 3.38 -1.33 0.60 115.31 119.30 1e08 h LEU 69 Ca -0.11 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 1e08 h LEU 69 Cb 1.84 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 42.50 1e08 h LEU 69 CO 0.19 0.31 0.34 0.50 0.09 0.00 0.00 178.44 179.87 1e08 h LYS 70 N 0.59 0.78 -0.59 1.13 3.64 -1.72 0.26 116.57 120.65 1e08 h LYS 70 Ca 0.25 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.51 1e08 h LYS 70 Cb 0.13 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 31.76 1e08 h LYS 70 CO -0.15 0.57 0.20 0.00 -2.27 0.00 0.00 179.45 177.79 1e08 h ALA 71 N 1.16 0.77 -0.53 5.00 0.00 -0.70 0.11 119.26 125.08 1e08 h ALA 71 Ca 0.20 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 1e08 h ALA 71 Cb -0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1e08 h ALA 71 CO -0.04 0.42 -0.11 -0.07 0.00 0.00 0.00 179.25 179.46 1e08 h LEU 72 N 0.83 0.99 -0.69 0.00 3.38 -0.40 0.11 115.31 119.52 1e08 h LEU 72 Ca 0.19 -0.32 -0.11 0.00 0.09 0.00 0.00 57.88 57.73 1e08 h LEU 72 Cb 0.26 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1e08 h LEU 72 CO -0.01 1.10 -0.13 0.00 0.09 0.00 0.00 178.44 179.50 1e08 h ALA 73 N 0.98 0.88 -0.43 1.53 0.00 -0.13 -0.45 119.26 121.65 1e08 h ALA 73 Ca 0.14 -0.34 -0.15 0.00 0.00 0.00 0.00 54.91 54.56 1e08 h ALA 73 Cb 0.66 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1e08 h ALA 73 CO 0.05 0.64 -0.31 0.22 0.00 0.00 0.00 179.25 179.84 1e08 h ASP 74 N 0.79 1.01 -0.25 0.00 3.58 -0.45 -2.29 116.42 118.81 1e08 h ASP 74 Ca 0.13 -0.43 -0.00 0.00 0.42 0.00 0.00 57.03 57.14 1e08 h ASP 74 Cb 0.65 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 41.40 1e08 h ASP 74 CO 0.05 1.23 0.15 0.22 -2.88 0.00 0.00 179.24 178.01 1e08 h TYR 75 N 0.81 0.35 -0.03 0.28 3.20 -0.36 0.11 116.97 121.32 1e08 h TYR 75 Ca 0.08 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.96 1e08 h TYR 75 Cb 0.90 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 39.05 1e08 h TYR 75 CO 0.06 0.25 0.00 -1.33 -1.64 0.00 0.00 178.16 175.49 1e08 n MET 76 N -4.47 1.13 -1.55 1.82 2.81 -0.22 -0.95 117.12 115.70 1e08 n MET 76 Ca 0.01 -0.14 0.03 0.00 -1.81 0.00 0.00 57.70 55.79 1e08 n MET 76 Cb 0.09 -1.22 0.05 0.00 -0.71 0.00 0.00 33.22 31.43 1e08 n MET 76 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1e08 n SER 77 N -0.23 1.30 -0.04 7.83 7.64 0.00 -4.38 113.62 125.74 1e08 n SER 77 Ca 0.01 -2.35 0.10 0.00 1.01 0.00 0.00 58.87 57.65 1e08 n SER 77 Cb 0.13 -0.36 -0.07 0.00 -1.01 0.00 0.00 64.21 62.91 1e08 n SER 77 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1e08 n LYS 78 N 0.07 0.11 0.00 1.43 5.02 -0.12 -5.02 118.16 119.65 1e08 n LYS 78 Ca 0.09 -0.09 0.12 0.00 -2.02 0.00 0.00 58.31 56.42 1e08 n LYS 78 Cb 1.03 -1.50 0.13 0.00 -0.02 0.00 0.00 35.03 34.67 1e08 n LYS 78 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77