#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fa8 s LYS 5 N 0.00 4.18 0.55 1.09 1.02 -1.26 -4.97 119.74 120.34 2fa8 s LYS 5 Ca 0.00 2.31 -0.19 0.00 0.02 0.00 0.00 55.97 58.11 2fa8 s LYS 5 Cb 0.00 -3.96 -0.06 0.00 -0.52 0.00 0.00 37.83 33.29 2fa8 s LYS 5 CO 0.00 -0.85 1.11 -1.25 -0.92 0.00 0.00 175.35 173.44 2fa8 s PRO 6 N 3.91 3.37 -0.18 -1.68 0.04 -1.26 -4.19 135.00 135.01 2fa8 s PRO 6 Ca 0.77 1.54 -0.18 0.00 0.04 0.00 0.00 61.00 63.17 2fa8 s PRO 6 Cb -0.37 -2.01 -0.03 0.00 0.04 0.00 0.00 34.50 32.13 2fa8 s PRO 6 CO 0.33 -0.82 0.51 1.03 0.04 0.00 0.00 177.00 178.08 2fa8 s ARG 7 N -3.38 4.23 -0.11 4.56 0.52 -1.26 -0.68 118.95 122.82 2fa8 s ARG 7 Ca 0.71 0.43 -0.05 0.00 -0.52 0.00 0.00 55.73 56.30 2fa8 s ARG 7 Cb -0.22 -3.53 -0.04 0.00 0.52 0.00 0.00 34.95 31.68 2fa8 s ARG 7 CO 0.28 -0.07 0.07 0.42 0.02 0.00 0.00 175.30 176.02 2fa8 s ILE 8 N 1.36 4.88 -0.06 1.52 1.01 0.40 -0.59 121.20 129.73 2fa8 s ILE 8 Ca 0.25 -0.02 0.04 0.00 0.00 0.00 0.00 60.65 60.91 2fa8 s ILE 8 Cb -0.15 -3.11 0.00 0.00 0.01 0.00 0.00 42.46 39.21 2fa8 s ILE 8 CO 0.10 0.59 -0.18 0.00 0.00 0.00 0.00 174.94 175.44 2fa8 s ALA 9 N -0.75 1.68 -0.29 9.38 0.00 -0.28 -0.43 121.76 131.06 2fa8 s ALA 9 Ca 0.12 -0.73 -0.01 0.00 0.00 0.00 0.00 51.96 51.34 2fa8 s ALA 9 Cb -0.12 -0.60 0.05 0.00 0.00 0.00 0.00 23.12 22.45 2fa8 s ALA 9 CO 0.03 0.26 -0.02 0.42 0.00 0.00 0.00 175.76 176.45 2fa8 s ILE 10 N 0.22 2.86 -0.18 0.00 1.01 0.54 -1.31 121.20 124.34 2fa8 s ILE 10 Ca -0.09 -1.42 -0.18 0.00 0.00 0.00 0.00 60.65 58.96 2fa8 s ILE 10 Cb -0.14 -2.65 -0.04 0.00 0.01 0.00 0.00 42.46 39.64 2fa8 s ILE 10 CO 0.04 -0.09 0.47 -0.13 0.00 0.00 0.00 174.94 175.23 2fa8 s ARG 11 N 1.23 4.23 -0.00 2.79 0.52 0.14 -0.79 118.95 127.08 2fa8 s ARG 11 Ca -0.06 0.36 -0.01 0.00 -0.52 0.00 0.00 55.73 55.50 2fa8 s ARG 11 Cb -0.20 -3.52 -0.00 0.00 0.52 0.00 0.00 34.95 31.75 2fa8 s ARG 11 CO -0.02 -0.02 0.02 1.52 0.02 0.00 0.00 175.30 176.82 2fa8 s TYR 12 N 1.23 0.03 -0.14 -0.53 -0.85 -0.98 -1.17 117.35 114.95 2fa8 s TYR 12 Ca 0.23 -0.07 -0.29 0.00 -0.52 0.00 0.00 57.07 56.42 2fa8 s TYR 12 Cb -0.15 -0.03 -0.03 0.00 0.38 0.00 0.00 41.96 42.13 2fa8 s TYR 12 CO 0.09 -0.06 1.45 0.00 -1.52 0.00 0.00 175.55 175.51 2fa8 h THR 14 N 5.62 1.24 0.00 0.00 2.02 -1.60 -3.07 112.91 117.13 2fa8 h THR 14 Ca -0.32 -0.85 0.00 0.00 0.77 0.00 0.00 66.41 66.01 2fa8 h THR 14 Cb 1.14 1.31 0.00 0.00 -1.74 0.00 0.00 68.15 68.86 2fa8 h THR 14 CO 0.97 0.27 0.00 0.00 0.37 0.00 0.00 175.52 177.13 2fa8 n GLN 15 N -4.65 0.07 -0.00 6.66 1.13 -1.26 -2.20 117.38 117.12 2fa8 n GLN 15 Ca -0.03 0.07 0.14 0.00 -1.94 0.00 0.00 57.00 55.24 2fa8 n GLN 15 Cb 0.23 -1.58 0.81 0.00 0.11 0.00 0.00 30.24 29.81 2fa8 n GLN 15 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2fa8 n ASN 17 N -0.78 -4.90 -1.09 0.00 3.02 -0.93 -4.93 115.26 105.64 2fa8 n ASN 17 Ca 0.21 -0.65 0.11 0.00 -0.03 0.00 0.00 54.58 54.22 2fa8 n ASN 17 Cb 0.14 -4.59 0.27 0.00 -0.61 0.00 0.00 39.78 34.98 2fa8 n ASN 17 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 2fa8 n TRP 18 N -4.74 0.63 -0.20 3.10 8.01 -1.20 -4.39 117.44 118.65 2fa8 n TRP 18 Ca -0.04 -0.32 -0.04 0.00 -1.31 0.00 0.00 57.50 55.79 2fa8 n TRP 18 Cb 0.57 0.00 0.06 0.00 -2.01 0.00 0.00 31.31 29.93 2fa8 n TRP 18 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.69 177.93 2fa8 h LEU 19 N 3.81 0.55 -0.19 -0.99 5.85 -1.85 -2.12 115.31 120.36 2fa8 h LEU 19 Ca 0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 2fa8 h LEU 19 Cb 0.85 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.77 2fa8 h LEU 19 CO 0.00 0.38 0.12 0.25 -0.34 0.00 0.00 178.44 178.85 2fa8 h LEU 20 N 0.68 0.20 -0.68 2.25 5.85 -1.99 0.14 115.31 121.75 2fa8 h LEU 20 Ca 0.24 -0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.83 2fa8 h LEU 20 Cb 0.06 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 2fa8 h LEU 20 CO -0.12 0.14 -0.42 0.08 -0.34 0.00 0.00 178.44 177.79 2fa8 h ARG 21 N 0.24 0.53 -0.18 1.25 0.11 -1.85 -0.81 114.38 113.67 2fa8 h ARG 21 Ca 0.07 -0.27 -0.01 0.00 0.10 0.00 0.00 59.98 59.87 2fa8 h ARG 21 Cb -0.02 0.01 -0.01 0.00 1.11 0.00 0.00 29.97 31.06 2fa8 h ARG 21 CO -0.02 0.85 0.07 0.00 0.10 0.00 0.00 179.97 180.97 2fa8 h ALA 22 N 1.11 0.24 -0.67 0.08 0.00 -1.02 -3.13 119.26 115.88 2fa8 h ALA 22 Ca 0.04 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2fa8 h ALA 22 Cb 0.91 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 2fa8 h ALA 22 CO 0.08 -0.16 0.37 0.78 0.00 0.00 0.00 179.25 180.32 2fa8 h GLY 23 N 0.14 1.00 -1.23 0.00 0.00 -0.61 -1.44 103.07 100.93 2fa8 h GLY 23 Ca 0.06 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 46.94 2fa8 h GLY 23 CO -0.00 0.43 0.00 1.87 0.00 0.00 0.00 176.54 178.84 2fa8 n TRP 24 N -4.52 0.00 0.00 5.60 -0.00 -0.32 -1.82 117.44 116.37 2fa8 n TRP 24 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.55 2fa8 n TRP 24 Cb 0.08 -0.02 0.00 0.00 -0.00 0.00 0.00 31.31 31.37 2fa8 n TRP 24 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 2fa8 n ALA 26 N 0.61 0.00 -0.17 5.87 0.00 -0.54 -0.78 120.51 125.50 2fa8 n ALA 26 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 2fa8 n ALA 26 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2fa8 n ALA 26 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2fa8 h GLN 27 N 0.00 0.93 -0.57 0.00 4.20 -1.64 -0.41 115.11 117.63 2fa8 h GLN 27 Ca 0.00 -0.34 0.02 0.00 0.06 0.00 0.00 58.65 58.39 2fa8 h GLN 27 Cb 0.00 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.68 2fa8 h GLN 27 CO 0.00 0.99 0.35 0.93 -0.67 0.00 0.00 178.83 180.44 2fa8 h GLU 28 N 0.78 0.69 0.27 1.46 4.39 -1.24 0.05 114.58 120.98 2fa8 h GLU 28 Ca 0.13 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.78 2fa8 h GLU 28 Cb 0.62 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 2fa8 h GLU 28 CO 0.04 0.45 -0.13 0.82 -1.16 0.00 0.00 179.01 179.04 2fa8 h ILE 29 N 0.71 0.76 -0.13 3.13 2.04 -1.79 -2.16 117.51 120.06 2fa8 h ILE 29 Ca 0.22 -0.15 -0.06 0.00 1.00 0.00 0.00 64.86 65.88 2fa8 h ILE 29 Cb -0.01 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 2fa8 h ILE 29 CO -0.08 0.03 -0.17 -0.07 0.00 0.00 0.00 178.15 177.86 2fa8 h LEU 30 N -0.44 0.21 -0.26 1.44 3.38 -0.95 0.12 115.31 118.81 2fa8 h LEU 30 Ca -0.04 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 2fa8 h LEU 30 Cb 0.33 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 2fa8 h LEU 30 CO 0.06 0.40 0.04 -0.61 0.09 0.00 0.00 178.44 178.42 2fa8 h GLN 31 N 0.21 0.44 -0.01 1.13 4.15 -0.93 0.41 115.11 120.50 2fa8 h GLN 31 Ca 0.04 -0.12 -0.01 0.00 0.77 0.00 0.00 58.65 59.33 2fa8 h GLN 31 Cb 0.43 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.07 2fa8 h GLN 31 CO 0.03 0.56 -0.04 1.15 -1.93 0.00 0.00 178.83 178.60 2fa8 h THR 32 N 0.25 1.49 -0.55 2.39 2.02 -1.09 -3.35 112.91 114.06 2fa8 h THR 32 Ca 0.08 -1.48 -0.26 0.00 0.77 0.00 0.00 66.41 65.52 2fa8 h THR 32 Cb 0.34 2.46 -0.15 0.00 -1.74 0.00 0.00 68.15 69.05 2fa8 h THR 32 CO 0.01 0.39 0.16 0.49 0.37 0.00 0.00 175.52 176.94 2fa8 n PHE 33 N -4.75 1.74 0.00 3.16 3.72 0.00 -4.92 117.46 116.41 2fa8 n PHE 33 Ca -0.09 -1.56 0.00 0.00 -0.05 0.00 0.00 57.45 55.75 2fa8 n PHE 33 Cb 0.33 -0.62 0.00 0.00 -0.94 0.00 0.00 39.48 38.25 2fa8 n PHE 33 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2fa8 n ALA 34 N -0.98 0.00 -0.27 4.37 0.00 0.14 -1.74 120.51 122.02 2fa8 n ALA 34 Ca 0.40 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.81 2fa8 n ALA 34 Cb 1.23 0.00 0.09 0.00 0.00 0.00 0.00 19.45 20.77 2fa8 n ALA 34 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2fa8 h SER 35 N 0.00 0.79 0.53 0.00 0.02 -1.91 -3.19 113.55 109.79 2fa8 h SER 35 Ca 0.00 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2fa8 h SER 35 Cb 0.00 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.36 2fa8 h SER 35 CO 0.00 0.55 0.00 0.47 -1.14 0.00 0.00 176.83 176.71 2fa8 n ASP 36 N -4.62 0.19 -4.64 3.07 8.00 -0.71 -4.68 116.55 113.16 2fa8 n ASP 36 Ca 0.08 0.55 -0.35 0.00 0.71 0.00 0.00 54.79 55.79 2fa8 n ASP 36 Cb 0.08 -0.59 -0.10 0.00 -0.02 0.00 0.00 41.12 40.50 2fa8 n ASP 36 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2fa8 s ILE 37 N -3.10 4.52 -0.01 0.53 -1.09 -1.02 -4.15 121.20 116.89 2fa8 s ILE 37 Ca 0.06 -0.14 -0.25 0.00 -2.23 0.00 0.00 60.65 58.08 2fa8 s ILE 37 Cb 0.09 -2.98 -0.19 0.00 -1.58 0.00 0.00 42.46 37.79 2fa8 s ILE 37 CO 0.29 0.52 1.30 1.23 -1.23 0.00 0.00 174.94 177.05 2fa8 h GLY 38 N 6.09 0.04 -3.36 6.18 0.00 -1.07 -3.47 103.07 107.48 2fa8 h GLY 38 Ca -0.41 -0.04 0.10 0.00 0.00 0.00 0.00 47.33 46.98 2fa8 h GLY 38 CO 0.63 0.03 0.48 -1.83 0.00 0.00 0.00 176.54 175.86 2fa8 s GLU 39 N -4.35 0.84 -0.13 4.80 -1.05 -1.24 -5.02 118.70 112.55 2fa8 s GLU 39 Ca -0.16 -0.30 0.02 0.00 -0.15 0.00 0.00 54.97 54.38 2fa8 s GLU 39 Cb 0.02 0.39 0.01 0.00 -0.44 0.00 0.00 34.13 34.11 2fa8 s GLU 39 CO 0.68 -0.36 -0.18 0.08 0.95 0.00 0.00 175.26 176.42 2fa8 s VAL 40 N -3.11 1.78 -0.13 1.83 1.01 -1.26 -0.45 120.40 120.06 2fa8 s VAL 40 Ca 0.05 -0.80 -0.04 0.00 0.00 0.00 0.00 61.98 61.18 2fa8 s VAL 40 Cb -0.01 -1.60 -0.03 0.00 0.00 0.00 0.00 36.38 34.74 2fa8 s VAL 40 CO -0.09 0.50 0.01 -0.44 0.00 0.00 0.00 175.10 175.07 2fa8 s SER 41 N 0.96 5.24 -0.24 3.32 0.01 0.43 -4.98 113.70 118.44 2fa8 s SER 41 Ca -0.05 0.06 -0.10 0.00 1.31 0.00 0.00 55.95 57.17 2fa8 s SER 41 Cb -0.15 -1.70 -0.05 0.00 0.21 0.00 0.00 66.02 64.33 2fa8 s SER 41 CO -0.03 0.27 0.14 -0.76 0.41 0.00 0.00 173.24 173.27 2fa8 s LEU 42 N -0.22 3.93 -0.33 2.44 1.43 -1.26 -0.34 118.68 124.34 2fa8 s LEU 42 Ca 0.06 0.02 0.03 0.00 -1.03 0.00 0.00 54.13 53.21 2fa8 s LEU 42 Cb -0.12 -2.06 0.10 0.00 0.03 0.00 0.00 46.19 44.13 2fa8 s LEU 42 CO 0.02 0.03 0.04 -0.63 0.23 0.00 0.00 176.35 176.05 2fa8 s ILE 43 N 1.24 2.08 0.29 -0.59 1.01 0.03 -4.98 121.20 120.28 2fa8 s ILE 43 Ca 0.07 -2.15 -0.30 0.00 0.00 0.00 0.00 60.65 58.27 2fa8 s ILE 43 Cb -0.14 -2.51 -0.11 0.00 0.01 0.00 0.00 42.46 39.71 2fa8 s ILE 43 CO 0.05 -0.56 1.57 -2.84 0.00 0.00 0.00 174.94 173.17 2fa8 s PRO 44 N 1.02 4.14 0.30 2.79 0.02 -1.26 -2.31 135.00 139.69 2fa8 s PRO 44 Ca 0.09 2.54 0.06 0.00 0.02 0.00 0.00 61.00 63.71 2fa8 s PRO 44 Cb -0.19 -3.03 -0.02 0.00 0.02 0.00 0.00 34.50 31.28 2fa8 s PRO 44 CO -0.10 -0.60 0.21 0.43 -0.33 0.00 0.00 177.00 176.61 2fa8 n SER 45 N 2.10 -0.10 -4.21 2.53 7.64 0.90 -4.86 113.62 117.62 2fa8 n SER 45 Ca 0.08 -2.85 -0.20 0.00 1.01 0.00 0.00 58.87 56.91 2fa8 n SER 45 Cb 0.38 1.26 -0.10 0.00 -1.01 0.00 0.00 64.21 64.74 2fa8 n SER 45 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2fa8 s THR 46 N -3.06 0.64 -1.23 0.44 -4.23 -1.26 -1.41 115.64 105.53 2fa8 s THR 46 Ca 0.29 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.72 2fa8 s THR 46 Cb 0.01 -2.58 0.01 0.00 1.34 0.00 0.00 72.50 71.28 2fa8 s THR 46 CO 0.21 0.00 1.07 0.61 -0.54 0.00 0.00 174.62 175.97 2fa8 n GLY 47 N -0.64 -0.41 2.28 3.99 0.00 -1.26 -2.80 105.19 106.36 2fa8 n GLY 47 Ca -0.01 0.17 -0.01 0.00 0.00 0.00 0.00 46.02 46.16 2fa8 n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fa8 n GLY 48 N -1.83 0.45 3.70 -0.02 0.00 -1.26 -4.98 105.19 101.24 2fa8 n GLY 48 Ca -0.01 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 2fa8 n GLY 48 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2fa8 s LEU 49 N -0.28 4.35 -0.14 0.99 2.96 -1.12 -4.88 118.68 120.56 2fa8 s LEU 49 Ca 0.00 2.30 -0.03 0.00 -0.22 0.00 0.00 54.13 56.18 2fa8 s LEU 49 Cb 0.00 -3.57 0.05 0.00 0.50 0.00 0.00 46.19 43.17 2fa8 s LEU 49 CO 0.00 -0.75 0.04 0.12 -1.32 0.00 0.00 176.35 174.43 2fa8 s PHE 50 N 2.05 0.67 -0.08 5.38 5.36 -1.26 -1.23 117.98 128.87 2fa8 s PHE 50 Ca 0.67 -0.45 -0.06 0.00 -0.96 0.00 0.00 56.93 56.14 2fa8 s PHE 50 Cb -0.36 -0.85 0.03 0.00 -0.34 0.00 0.00 43.02 41.51 2fa8 s PHE 50 CO 0.29 -0.47 0.20 -2.00 -1.46 0.00 0.00 175.22 171.79 2fa8 s GLU 51 N 1.97 0.20 -0.11 10.12 2.12 -0.32 -1.31 118.70 131.37 2fa8 s GLU 51 Ca 0.02 0.37 0.03 0.00 0.36 0.00 0.00 54.97 55.75 2fa8 s GLU 51 Cb -0.15 -0.01 0.00 0.00 0.26 0.00 0.00 34.13 34.23 2fa8 s GLU 51 CO -0.07 -0.09 -0.23 0.42 -0.54 0.00 0.00 175.26 174.75 2fa8 s ILE 52 N 0.64 2.08 0.09 -3.70 1.01 -0.08 -0.68 121.20 120.56 2fa8 s ILE 52 Ca -0.04 -1.00 0.09 0.00 0.00 0.00 0.00 60.65 59.69 2fa8 s ILE 52 Cb -0.06 -1.80 -0.03 0.00 0.01 0.00 0.00 42.46 40.57 2fa8 s ILE 52 CO -0.03 0.56 -0.22 0.42 0.00 0.00 0.00 174.94 175.66 2fa8 s THR 53 N 0.49 1.84 -0.22 2.92 -4.23 -0.43 -0.85 115.64 115.17 2fa8 s THR 53 Ca -0.15 -1.48 0.02 0.00 -1.18 0.00 0.00 61.69 58.89 2fa8 s THR 53 Cb -0.17 -1.63 0.04 0.00 1.34 0.00 0.00 72.50 72.07 2fa8 s THR 53 CO 0.05 0.07 -0.15 -0.69 -0.54 0.00 0.00 174.62 173.36 2fa8 s VAL 54 N -1.02 2.17 -1.55 2.29 1.01 0.73 -1.12 120.40 122.91 2fa8 s VAL 54 Ca 0.09 -1.22 -0.03 0.00 0.00 0.00 0.00 61.98 60.82 2fa8 s VAL 54 Cb -0.10 -2.07 0.03 0.00 0.00 0.00 0.00 36.38 34.24 2fa8 s VAL 54 CO 0.04 0.29 0.08 0.47 0.00 0.00 0.00 175.10 175.97 2fa8 n ASP 55 N 4.55 0.58 0.00 3.32 8.00 0.25 -1.17 116.55 132.08 2fa8 n ASP 55 Ca -0.18 -1.24 0.00 0.00 0.71 0.00 0.00 54.79 54.08 2fa8 n ASP 55 Cb 0.47 -1.55 0.00 0.00 -0.02 0.00 0.00 41.12 40.02 2fa8 n ASP 55 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2fa8 n GLY 56 N -2.35 2.67 3.66 0.44 0.00 -1.26 -5.01 105.19 103.34 2fa8 n GLY 56 Ca -0.26 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.35 2fa8 n GLY 56 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2fa8 s THR 57 N -2.43 4.92 -0.13 2.61 2.01 -0.31 -4.99 115.64 117.31 2fa8 s THR 57 Ca 0.00 1.49 -0.29 0.00 0.31 0.00 0.00 61.69 63.20 2fa8 s THR 57 Cb 0.00 -4.08 -0.03 0.00 0.01 0.00 0.00 72.50 68.40 2fa8 s THR 57 CO 0.00 0.04 1.52 -0.63 -0.69 0.00 0.00 174.62 174.87 2fa8 s ILE 58 N 2.14 3.83 -0.28 1.82 1.01 -1.26 -0.19 121.20 128.27 2fa8 s ILE 58 Ca 0.35 0.98 0.13 0.00 0.00 0.00 0.00 60.65 62.11 2fa8 s ILE 58 Cb -0.16 -3.69 -0.17 0.00 0.01 0.00 0.00 42.46 38.44 2fa8 s ILE 58 CO 0.11 -0.15 0.40 2.30 0.00 0.00 0.00 174.94 177.60 2fa8 n ILE 59 N 5.70 0.00 -3.73 2.92 -5.35 -0.03 -4.96 119.36 113.91 2fa8 n ILE 59 Ca 0.17 -0.25 -0.13 0.00 -0.27 0.00 0.00 62.75 62.26 2fa8 n ILE 59 Cb 0.44 0.56 -0.10 0.00 -1.74 0.00 0.00 39.64 38.80 2fa8 n ILE 59 CO 0.00 0.00 0.00 0.86 -1.76 0.00 0.00 176.55 175.65 2fa8 s TRP 60 N -2.58 -0.47 -0.12 4.28 -0.11 -1.02 -4.98 118.94 113.94 2fa8 s TRP 60 Ca -0.00 1.13 -0.07 0.00 1.22 0.00 0.00 56.10 58.38 2fa8 s TRP 60 Cb 0.09 0.17 0.05 0.00 -1.50 0.00 0.00 33.47 32.27 2fa8 s TRP 60 CO 0.53 -0.23 0.30 -2.00 -4.62 0.00 0.00 176.95 170.92 2fa8 s GLU 61 N 0.32 0.27 0.20 5.86 -6.30 -1.26 -0.91 118.70 116.89 2fa8 s GLU 61 Ca -0.01 0.59 -0.14 0.00 -2.50 0.00 0.00 54.97 52.91 2fa8 s GLU 61 Cb -0.03 -0.07 0.21 0.00 0.00 0.00 0.00 34.13 34.24 2fa8 s GLU 61 CO -0.01 -0.15 1.64 -0.09 0.02 0.00 0.00 175.26 176.67 2fa8 h ARG 62 N 7.04 0.01 0.27 4.30 2.43 -1.37 0.15 114.38 127.20 2fa8 h ARG 62 Ca -0.38 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.77 2fa8 h ARG 62 Cb 1.17 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 2fa8 h ARG 62 CO 0.35 0.01 -0.13 0.87 -1.51 0.00 0.00 179.97 179.56 2fa8 h LYS 63 N 0.01 -0.34 -0.57 0.20 1.57 -1.86 -0.06 116.57 115.51 2fa8 h LYS 63 Ca 0.28 0.02 0.11 0.00 -1.87 0.00 0.00 60.65 59.20 2fa8 h LYS 63 Cb 0.43 0.08 -0.11 0.00 0.08 0.00 0.00 32.23 32.71 2fa8 h LYS 63 CO -0.59 0.01 -0.24 -0.09 -0.57 0.00 0.00 179.45 177.96 2fa8 h ARG 64 N -0.87 -0.10 -0.12 3.15 2.43 -1.93 -3.01 114.38 113.94 2fa8 h ARG 64 Ca -0.04 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2fa8 h ARG 64 Cb 0.51 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.08 2fa8 h ARG 64 CO 0.06 -0.06 0.00 -0.25 -1.51 0.00 0.00 179.97 178.21 2fa8 n ASP 65 N -5.43 2.80 -0.35 -3.80 8.00 0.50 -4.98 116.55 113.30 2fa8 n ASP 65 Ca 0.05 -1.91 -0.02 0.00 0.71 0.00 0.00 54.79 53.63 2fa8 n ASP 65 Cb 0.34 -0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.37 2fa8 n ASP 65 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2fa8 n GLY 66 N 1.35 0.42 0.00 0.44 0.00 -0.37 -4.85 105.19 102.18 2fa8 n GLY 66 Ca 0.16 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.42 2fa8 n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fa8 n GLY 67 N -0.91 0.42 3.34 -0.02 0.00 -0.18 -5.03 105.19 102.81 2fa8 n GLY 67 Ca -0.02 -1.35 -0.30 0.00 0.00 0.00 0.00 46.02 44.35 2fa8 n GLY 67 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2fa8 s PHE 68 N -3.20 2.31 0.39 1.61 0.08 -1.26 -4.24 117.98 113.67 2fa8 s PHE 68 Ca 0.00 -0.41 -0.24 0.00 0.12 0.00 0.00 56.93 56.40 2fa8 s PHE 68 Cb 0.00 -1.39 -0.09 0.00 -0.57 0.00 0.00 43.02 40.97 2fa8 s PHE 68 CO 0.00 0.12 1.01 -1.25 -0.10 0.00 0.00 175.22 175.00 2fa8 s PRO 69 N -1.23 4.23 0.71 0.24 0.04 -1.26 -5.06 135.00 132.67 2fa8 s PRO 69 Ca 0.12 1.40 -0.11 0.00 0.04 0.00 0.00 61.00 62.44 2fa8 s PRO 69 Cb -0.10 -2.50 0.01 0.00 0.04 0.00 0.00 34.50 31.95 2fa8 s PRO 69 CO 0.02 -0.06 1.07 0.20 0.04 0.00 0.00 177.00 178.27 2fa8 s GLY 70 N -1.71 1.65 0.34 0.56 0.00 -1.26 -4.91 107.32 101.99 2fa8 s GLY 70 Ca 0.58 -0.13 0.09 0.00 0.00 0.00 0.00 44.72 45.25 2fa8 s GLY 70 CO 0.24 0.21 1.79 -0.56 0.00 0.00 0.00 173.10 174.78 2fa8 h PRO 71 N -0.71 0.19 0.33 2.90 0.13 -1.99 -1.46 132.00 131.38 2fa8 h PRO 71 Ca -0.45 -0.07 -0.02 0.00 -0.87 0.00 0.00 66.00 64.59 2fa8 h PRO 71 Cb 1.23 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2fa8 h PRO 71 CO 0.60 0.50 -0.16 -0.22 -0.23 0.00 0.00 178.00 178.49 2fa8 h LYS 72 N 0.17 -0.42 -0.73 0.86 3.64 -1.99 -1.63 116.57 116.46 2fa8 h LYS 72 Ca 0.02 0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.39 2fa8 h LYS 72 Cb 0.66 0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.54 2fa8 h LYS 72 CO 0.05 -0.15 0.29 1.05 -2.27 0.00 0.00 179.45 178.42 2fa8 h GLU 73 N -0.66 1.08 0.09 1.90 4.11 -1.94 -0.17 114.58 119.00 2fa8 h GLU 73 Ca -0.04 -0.19 0.02 0.00 0.07 0.00 0.00 59.36 59.22 2fa8 h GLU 73 Cb 0.47 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.50 2fa8 h GLU 73 CO 0.07 0.88 -0.22 1.25 0.07 0.00 0.00 179.01 181.06 2fa8 h LEU 74 N 1.06 -0.63 -0.58 3.06 5.85 -1.22 -0.34 115.31 122.50 2fa8 h LEU 74 Ca 0.25 0.08 0.00 0.00 0.84 0.00 0.00 57.88 59.04 2fa8 h LEU 74 Cb 0.20 0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.45 2fa8 h LEU 74 CO -0.02 -0.31 0.36 0.11 -0.34 0.00 0.00 178.44 178.25 2fa8 h LYS 75 N -0.40 0.78 -0.56 1.25 1.57 -0.83 -2.13 116.57 116.25 2fa8 h LYS 75 Ca 0.03 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.67 2fa8 h LYS 75 Cb 0.44 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 2fa8 h LYS 75 CO -0.14 0.54 0.01 1.96 -0.57 0.00 0.00 179.45 181.25 2fa8 h GLN 76 N 0.78 0.95 -0.75 3.15 4.20 -0.85 -0.19 115.11 122.40 2fa8 h GLN 76 Ca 0.21 -0.28 -0.02 0.00 0.06 0.00 0.00 58.65 58.62 2fa8 h GLN 76 Cb -0.05 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.60 2fa8 h GLN 76 CO -0.04 0.93 0.38 0.00 -0.67 0.00 0.00 178.83 179.43 2fa8 h ARG 77 N 0.87 1.06 -0.12 1.46 3.08 -0.79 0.27 114.38 120.21 2fa8 h ARG 77 Ca 0.16 -0.14 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 2fa8 h ARG 77 Cb 0.50 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 30.35 2fa8 h ARG 77 CO 0.02 0.81 -0.02 0.82 -1.07 0.00 0.00 179.97 180.54 2fa8 h ILE 78 N 1.04 1.27 -0.59 2.04 2.04 -1.09 -2.33 117.51 119.90 2fa8 h ILE 78 Ca 0.26 -0.91 0.08 0.00 1.00 0.00 0.00 64.86 65.29 2fa8 h ILE 78 Cb 0.08 1.63 -0.06 0.00 -0.74 0.00 0.00 36.82 37.73 2fa8 h ILE 78 CO -0.04 0.26 0.25 -0.09 0.00 0.00 0.00 178.15 178.54 2fa8 h ARG 79 N -0.07 0.46 -0.81 2.37 1.12 -0.76 -0.98 114.38 115.71 2fa8 h ARG 79 Ca 0.03 -0.03 -0.01 0.00 -1.11 0.00 0.00 59.98 58.86 2fa8 h ARG 79 Cb 0.41 -0.10 -0.04 0.00 -0.01 0.00 0.00 29.97 30.23 2fa8 h ARG 79 CO 0.01 0.30 0.45 -0.44 -3.11 0.00 0.00 179.97 177.18 2fa8 h ASP 80 N 0.47 1.00 0.32 -3.80 3.32 -0.32 0.25 116.42 117.65 2fa8 h ASP 80 Ca 0.28 -0.08 -0.15 0.00 0.02 0.00 0.00 57.03 57.10 2fa8 h ASP 80 Cb 0.29 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 2fa8 h ASP 80 CO -0.25 0.79 -0.62 0.25 -1.72 0.00 0.00 179.24 177.70 2fa8 h LEU 81 N 1.13 0.34 0.04 1.55 5.85 -0.87 -3.28 115.31 120.06 2fa8 h LEU 81 Ca 0.29 -0.20 -0.29 0.00 0.84 0.00 0.00 57.88 58.53 2fa8 h LEU 81 Cb 0.01 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 2fa8 h LEU 81 CO -0.05 0.87 -1.56 2.30 -0.34 0.00 0.00 178.44 179.66 2fa8 n ILE 82 N -3.87 1.61 -3.19 4.05 -5.35 -0.42 -4.87 119.36 107.32 2fa8 n ILE 82 Ca -0.03 -0.25 0.01 0.00 -0.27 0.00 0.00 62.75 62.22 2fa8 n ILE 82 Cb 0.63 -1.93 -0.01 0.00 -1.74 0.00 0.00 39.64 36.59 2fa8 n ILE 82 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2fa8 s ASP 83 N -6.94 -1.23 0.52 7.28 2.15 0.77 -5.02 116.67 114.20 2fa8 s ASP 83 Ca -0.27 -0.04 0.32 0.00 0.43 0.00 0.00 52.55 52.99 2fa8 s ASP 83 Cb 0.07 1.85 1.75 0.00 -0.30 0.00 0.00 42.92 46.28 2fa8 s ASP 83 CO 0.64 -0.30 1.98 1.55 -0.17 0.00 0.00 175.17 178.87 2fa8 h PRO 84 N 7.91 0.00 0.00 4.34 0.13 -1.60 0.14 132.00 142.92 2fa8 h PRO 84 Ca -0.02 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.03 2fa8 h PRO 84 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 2fa8 h PRO 84 CO 0.17 0.00 -0.40 1.49 -0.23 0.00 0.00 178.00 179.03 2fa8 h GLU 85 N 0.00 0.00 -6.32 0.86 4.22 -1.93 -3.46 114.58 107.96 2fa8 h GLU 85 Ca 0.00 0.00 -0.54 0.00 0.08 0.00 0.00 59.36 58.90 2fa8 h GLU 85 Cb 0.16 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 2fa8 h GLU 85 CO 0.00 0.40 1.04 0.50 -2.18 0.00 0.00 179.01 178.77 2fa8 s ARG 86 N -3.22 4.19 0.30 1.92 3.52 0.04 -4.98 118.95 120.72 2fa8 s ARG 86 Ca 0.03 2.20 -0.25 0.00 -0.13 0.00 0.00 55.73 57.58 2fa8 s ARG 86 Cb 0.09 -3.86 -0.10 0.00 -1.56 0.00 0.00 34.95 29.52 2fa8 s ARG 86 CO 0.71 -0.80 0.91 0.34 -0.81 0.00 0.00 175.30 175.65 2fa8 s ASP 87 N 3.01 7.30 0.00 -2.12 -1.08 -1.26 -4.99 116.67 117.53 2fa8 s ASP 87 Ca 0.73 1.77 0.08 0.00 -0.52 0.00 0.00 52.55 54.61 2fa8 s ASP 87 Cb -0.35 -2.55 0.20 0.00 -1.46 0.00 0.00 42.92 38.76 2fa8 s ASP 87 CO 0.30 -0.04 1.11 0.18 0.52 0.00 0.00 175.17 177.23 2fa8 n LEU 88 N 0.62 2.50 0.00 -1.34 4.77 -1.26 -5.06 117.00 117.23 2fa8 n LEU 88 Ca 0.01 -1.78 0.00 0.00 -0.03 0.00 0.00 56.01 54.21 2fa8 n LEU 88 Cb 0.50 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 2fa8 n LEU 88 CO 0.44 0.61 0.00 0.61 -1.33 0.00 0.00 177.39 177.72 2fa8 n GLY 89 N 0.34 0.95 3.73 -0.72 0.00 -1.26 -5.21 105.19 103.01 2fa8 n GLY 89 Ca 0.08 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.62 2fa8 n GLY 89 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93