#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fa3 s GLU 2 N 0.00 1.02 -1.16 1.61 -1.05 -1.26 -4.60 118.70 113.27 1fa3 s GLU 2 Ca 0.00 -0.23 -0.21 0.00 -0.15 0.00 0.00 54.97 54.38 1fa3 s GLU 2 Cb 0.00 0.47 0.03 0.00 -0.44 0.00 0.00 34.13 34.19 1fa3 s GLU 2 CO 0.00 -0.42 0.39 0.91 0.95 0.00 0.00 175.26 177.10 1fa3 n TRP 3 N -0.01 -1.15 -4.10 4.83 5.03 -0.93 -4.95 117.44 116.16 1fa3 n TRP 3 Ca -0.14 0.20 -0.34 0.00 3.03 0.00 0.00 57.50 60.25 1fa3 n TRP 3 Cb 0.62 -2.40 -0.07 0.00 -1.03 0.00 0.00 31.31 28.42 1fa3 n TRP 3 CO 0.00 0.00 0.00 -1.83 -0.03 0.00 0.00 177.69 175.83 1fa3 s GLU 4 N -7.07 3.15 0.26 -0.99 -1.05 -0.14 -4.87 118.70 107.99 1fa3 s GLU 4 Ca 0.29 -0.38 -0.30 0.00 -0.15 0.00 0.00 54.97 54.43 1fa3 s GLU 4 Cb -0.16 -2.93 -0.09 0.00 -0.44 0.00 0.00 34.13 30.51 1fa3 s GLU 4 CO 0.86 0.69 0.99 0.42 0.95 0.00 0.00 175.26 179.16 1fa3 s ILE 5 N -1.10 3.90 0.21 1.83 1.09 -1.26 -0.92 121.20 124.94 1fa3 s ILE 5 Ca 0.20 1.89 0.09 0.00 -1.10 0.00 0.00 60.65 61.73 1fa3 s ILE 5 Cb -0.12 -4.20 -0.04 0.00 -1.06 0.00 0.00 42.46 37.04 1fa3 s ILE 5 CO 0.10 0.44 -0.06 0.27 -0.10 0.00 0.00 174.94 175.58 1fa3 s ILE 6 N -1.20 3.30 0.94 2.92 -4.36 0.16 -4.93 121.20 118.03 1fa3 s ILE 6 Ca 0.43 -1.73 -0.12 0.00 -0.26 0.00 0.00 60.65 58.96 1fa3 s ILE 6 Cb -0.27 -2.68 0.16 0.00 1.25 0.00 0.00 42.46 40.91 1fa3 s ILE 6 CO 0.34 -0.20 1.10 -1.81 0.24 0.00 0.00 174.94 174.61 1fa3 s ASP 7 N -3.11 3.10 0.32 4.36 1.11 -1.26 -4.35 116.67 116.84 1fa3 s ASP 7 Ca 0.27 1.31 0.06 0.00 0.18 0.00 0.00 52.55 54.37 1fa3 s ASP 7 Cb -0.08 -1.98 -0.01 0.00 1.07 0.00 0.00 42.92 41.92 1fa3 s ASP 7 CO 0.17 -2.85 0.44 0.27 1.18 0.00 0.00 175.17 174.38 1fa3 s ILE 8 N -2.98 4.26 -5.00 0.77 -5.25 -1.26 -4.73 121.20 107.02 1fa3 s ILE 8 Ca 0.64 -1.02 0.00 0.00 -0.99 0.00 0.00 60.65 59.28 1fa3 s ILE 8 Cb -0.18 -3.48 0.00 0.00 2.95 0.00 0.00 42.46 41.75 1fa3 s ILE 8 CO 0.57 -0.19 0.00 0.61 -1.79 0.00 0.00 174.94 174.14 1fa3 n GLY 9 N -1.58 0.64 0.28 6.27 0.00 -1.26 -4.91 105.19 104.63 1fa3 n GLY 9 Ca -0.02 -1.85 -0.02 0.00 0.00 0.00 0.00 46.02 44.13 1fa3 n GLY 9 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1fa3 h PRO 10 N 6.29 0.82 0.03 1.61 0.13 -1.98 0.24 132.00 139.14 1fa3 h PRO 10 Ca 0.00 -0.05 0.03 0.00 -0.87 0.00 0.00 66.00 65.11 1fa3 h PRO 10 Cb 0.00 -0.18 -0.05 0.00 0.13 0.00 0.00 31.00 30.89 1fa3 h PRO 10 CO 0.00 0.54 -0.45 0.35 -0.23 0.00 0.00 178.00 178.21 1fa3 h PHE 11 N 0.84 -1.30 -0.49 1.56 3.57 -1.97 0.14 116.94 119.30 1fa3 h PHE 11 Ca 0.30 0.04 -0.10 0.00 3.53 0.00 0.00 57.97 61.74 1fa3 h PHE 11 Cb 0.07 0.57 -0.02 0.00 2.79 0.00 0.00 35.95 39.36 1fa3 h PHE 11 CO -0.05 -0.53 -0.09 1.15 -2.23 0.00 0.00 178.31 176.57 1fa3 h THR 12 N -0.62 1.27 -0.05 4.41 2.02 -1.70 -1.43 112.91 116.80 1fa3 h THR 12 Ca 0.03 -1.22 0.04 0.00 0.77 0.00 0.00 66.41 66.03 1fa3 h THR 12 Cb 0.68 1.05 -0.05 0.00 -1.74 0.00 0.00 68.15 68.09 1fa3 h THR 12 CO -0.32 0.42 -0.25 1.56 0.37 0.00 0.00 175.52 177.31 1fa3 h GLN 13 N 0.78 -0.34 -0.40 6.66 4.20 -0.87 0.25 115.11 125.40 1fa3 h GLN 13 Ca 0.13 0.02 0.08 0.00 0.06 0.00 0.00 58.65 58.94 1fa3 h GLN 13 Cb 0.64 0.08 -0.08 0.00 0.30 0.00 0.00 27.48 28.42 1fa3 h GLN 13 CO 0.04 -0.23 -0.12 -0.97 -0.67 0.00 0.00 178.83 176.89 1fa3 h ASN 14 N -0.36 -0.42 -0.15 1.46 -1.24 -0.05 0.57 115.58 115.40 1fa3 h ASN 14 Ca 0.08 0.13 0.03 0.00 0.71 0.00 0.00 56.30 57.24 1fa3 h ASN 14 Cb 0.46 0.27 -0.03 0.00 0.73 0.00 0.00 38.32 39.76 1fa3 h ASN 14 CO -0.25 -0.15 -0.03 -0.07 -1.29 0.00 0.00 177.43 175.64 1fa3 h LEU 15 N -0.02 -0.12 -1.58 0.34 3.38 -1.00 0.88 115.31 117.18 1fa3 h LEU 15 Ca 0.19 0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.26 1fa3 h LEU 15 Cb 0.32 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 1fa3 h LEU 15 CO -0.42 -0.04 0.36 1.23 0.09 0.00 0.00 178.44 179.66 1fa3 h GLY 16 N 0.01 0.64 0.50 0.83 0.00 0.35 0.59 103.07 105.98 1fa3 h GLY 16 Ca 0.07 -0.21 -0.04 0.00 0.00 0.00 0.00 47.33 47.15 1fa3 h GLY 16 CO -0.14 0.16 -0.13 1.70 0.00 0.00 0.00 176.54 178.13 1fa3 h LYS 17 N 0.52 0.15 -0.59 4.80 3.11 0.11 -0.66 116.57 124.02 1fa3 h LYS 17 Ca 0.23 -0.12 0.11 0.00 -2.81 0.00 0.00 60.65 58.07 1fa3 h LYS 17 Cb 0.25 0.02 -0.09 0.00 -1.00 0.00 0.00 32.23 31.42 1fa3 h LYS 17 CO -0.06 0.76 0.10 0.35 -2.81 0.00 0.00 179.45 177.79 1fa3 h PHE 18 N -0.43 0.14 0.14 1.91 3.57 -0.61 0.37 116.94 122.02 1fa3 h PHE 18 Ca -0.01 0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.54 1fa3 h PHE 18 Cb 0.78 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.53 1fa3 h PHE 18 CO 0.14 -0.06 -0.19 0.00 -2.23 0.00 0.00 178.31 175.97 1fa3 h ALA 19 N 1.48 -0.35 -0.85 2.41 0.00 -0.56 0.14 119.26 121.53 1fa3 h ALA 19 Ca 0.31 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 1fa3 h ALA 19 Cb 0.46 0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 1fa3 h ALA 19 CO -0.42 -0.73 0.41 0.28 0.00 0.00 0.00 179.25 178.80 1fa3 h VAL 20 N -0.39 1.26 -0.18 0.00 2.07 -0.80 -0.19 116.25 118.02 1fa3 h VAL 20 Ca 0.02 -0.73 -0.00 0.00 0.82 0.00 0.00 66.70 66.81 1fa3 h VAL 20 Cb 0.39 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 1fa3 h VAL 20 CO -0.09 0.31 0.11 -0.78 0.02 0.00 0.00 177.57 177.15 1fa3 h ASP 21 N 1.22 0.22 -0.03 0.57 3.58 0.33 0.19 116.42 122.49 1fa3 h ASP 21 Ca 0.29 -0.04 0.01 0.00 0.42 0.00 0.00 57.03 57.71 1fa3 h ASP 21 Cb 0.12 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.10 1fa3 h ASP 21 CO -0.04 0.19 -0.03 -0.08 -2.88 0.00 0.00 179.24 176.41 1fa3 h GLU 22 N 0.22 -0.03 -0.66 0.28 4.57 -0.56 0.28 114.58 118.68 1fa3 h GLU 22 Ca 0.07 0.00 0.10 0.00 -1.18 0.00 0.00 59.36 58.35 1fa3 h GLU 22 Cb 0.02 0.01 -0.07 0.00 -0.16 0.00 0.00 28.75 28.54 1fa3 h GLU 22 CO -0.01 -0.02 0.28 1.49 -1.18 0.00 0.00 179.01 179.56 1fa3 h GLU 23 N -0.03 0.46 -0.36 1.92 4.81 -0.62 0.12 114.58 120.87 1fa3 h GLU 23 Ca 0.02 -0.03 -0.16 0.00 -0.13 0.00 0.00 59.36 59.06 1fa3 h GLU 23 Cb 0.07 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 1fa3 h GLU 23 CO -0.06 0.31 -0.41 -0.91 -0.73 0.00 0.00 179.01 177.21 1fa3 h ASN 24 N 0.48 0.98 -0.45 1.04 2.35 -0.32 0.41 115.58 120.07 1fa3 h ASN 24 Ca 0.34 -0.46 0.03 0.00 -0.55 0.00 0.00 56.30 55.65 1fa3 h ASN 24 Cb 0.41 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.47 1fa3 h ASN 24 CO -0.31 1.25 0.25 0.50 -1.65 0.00 0.00 177.43 177.48 1fa3 h LYS 25 N 0.74 0.48 -0.44 0.81 1.63 0.46 -1.01 116.57 119.25 1fa3 h LYS 25 Ca 0.05 -0.03 -0.05 0.00 -0.85 0.00 0.00 60.65 59.78 1fa3 h LYS 25 Cb 1.00 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 32.51 1fa3 h LYS 25 CO 0.10 0.32 0.09 0.82 -3.45 0.00 0.00 179.45 177.33 1fa3 h ILE 26 N 0.50 1.24 0.00 2.00 2.04 -0.94 -3.48 117.51 118.87 1fa3 h ILE 26 Ca 0.19 -0.85 0.00 0.00 1.00 0.00 0.00 64.86 65.20 1fa3 h ILE 26 Cb 0.05 0.95 0.00 0.00 -0.74 0.00 0.00 36.82 37.08 1fa3 h ILE 26 CO -0.11 0.30 0.00 0.61 0.00 0.00 0.00 178.15 178.95 1fa3 n GLY 27 N -0.55 0.83 0.34 5.37 0.00 0.12 -4.98 105.19 106.32 1fa3 n GLY 27 Ca 0.00 -0.58 0.07 0.00 0.00 0.00 0.00 46.02 45.51 1fa3 n GLY 27 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1fa3 h GLN 28 N 0.00 0.63 -0.97 1.61 4.15 -1.25 -0.21 115.11 119.08 1fa3 h GLN 28 Ca 0.00 -0.04 -0.45 0.00 0.77 0.00 0.00 58.65 58.93 1fa3 h GLN 28 Cb 0.27 -0.14 -0.41 0.00 0.21 0.00 0.00 27.48 27.40 1fa3 h GLN 28 CO 0.00 0.42 -0.95 0.66 -1.93 0.00 0.00 178.83 177.03 1fa3 n TYR 29 N -4.47 2.23 -4.89 3.99 4.02 -1.26 -5.11 117.16 111.66 1fa3 n TYR 29 Ca 0.09 -2.61 0.00 0.00 -0.01 0.00 0.00 57.90 55.37 1fa3 n TYR 29 Cb 0.22 -0.25 0.00 0.00 -0.02 0.00 0.00 39.34 39.29 1fa3 n TYR 29 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1fa3 n GLY 30 N -0.46 2.71 3.31 2.72 0.00 -0.09 -4.10 105.19 109.28 1fa3 n GLY 30 Ca 0.26 -0.43 -0.45 0.00 0.00 0.00 0.00 46.02 45.40 1fa3 n GLY 30 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1fa3 s ARG 31 N 0.00 3.72 0.19 1.61 3.00 -1.26 -4.38 118.95 121.84 1fa3 s ARG 31 Ca 0.00 -2.76 -0.30 0.00 0.00 0.00 0.00 55.73 52.67 1fa3 s ARG 31 Cb 0.00 -4.40 -0.08 0.00 0.00 0.00 0.00 34.95 30.47 1fa3 s ARG 31 CO 0.00 -1.27 0.95 -0.51 0.00 0.00 0.00 175.30 174.47 1fa3 s LEU 32 N -0.41 4.60 -0.70 2.53 1.43 -1.26 -5.01 118.68 119.86 1fa3 s LEU 32 Ca 0.23 1.90 -0.17 0.00 -1.03 0.00 0.00 54.13 55.06 1fa3 s LEU 32 Cb -0.11 -3.60 0.15 0.00 0.03 0.00 0.00 46.19 42.66 1fa3 s LEU 32 CO -0.08 0.08 0.74 -0.89 0.23 0.00 0.00 176.35 176.43 1fa3 s THR 33 N -0.76 5.12 0.09 5.49 2.01 -1.26 -4.96 115.64 121.37 1fa3 s THR 33 Ca 0.43 -1.63 -0.36 0.00 0.31 0.00 0.00 61.69 60.44 1fa3 s THR 33 Cb -0.25 -4.50 -0.17 0.00 0.01 0.00 0.00 72.50 67.59 1fa3 s THR 33 CO 0.31 -1.10 1.19 0.33 -0.69 0.00 0.00 174.62 174.66 1fa3 n PHE 34 N 5.44 1.14 -0.03 4.92 -0.00 -1.26 0.00 117.46 127.66 1fa3 n PHE 34 Ca 0.01 0.78 -0.03 0.00 -0.00 0.00 0.00 57.45 58.21 1fa3 n PHE 34 Cb 0.44 -2.24 -0.01 0.00 -0.00 0.00 0.00 39.48 37.67 1fa3 n PHE 34 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 1fa3 n ASN 35 N 2.11 0.72 -3.59 -2.13 2.85 0.42 -4.79 115.26 110.85 1fa3 n ASN 35 Ca 0.18 0.12 -0.06 0.00 -0.11 0.00 0.00 54.58 54.71 1fa3 n ASN 35 Cb 0.18 -0.55 -0.04 0.00 1.24 0.00 0.00 39.78 40.61 1fa3 n ASN 35 CO 0.00 0.00 0.00 -1.59 -2.11 0.00 0.00 177.26 173.56 1fa3 s LYS 36 N -1.71 0.38 0.30 1.20 -2.85 -0.92 -5.02 119.74 111.13 1fa3 s LYS 36 Ca -0.10 -0.01 -0.25 0.00 -1.00 0.00 0.00 55.97 54.60 1fa3 s LYS 36 Cb 0.01 0.18 -0.10 0.00 -2.06 0.00 0.00 37.83 35.87 1fa3 s LYS 36 CO 0.15 -0.14 0.91 0.54 0.10 0.00 0.00 175.35 176.91 1fa3 s VAL 37 N -1.69 4.25 0.06 1.79 0.11 -1.26 -0.68 120.40 122.98 1fa3 s VAL 37 Ca 0.05 1.77 0.01 0.00 -2.93 0.00 0.00 61.98 60.88 1fa3 s VAL 37 Cb -0.01 -4.01 -0.04 0.00 -1.53 0.00 0.00 36.38 30.79 1fa3 s VAL 37 CO -0.04 0.18 -0.05 0.27 -3.33 0.00 0.00 175.10 172.13 1fa3 s ILE 38 N -1.57 0.41 0.69 7.04 -5.25 0.17 -4.90 121.20 117.79 1fa3 s ILE 38 Ca 0.48 -1.60 -0.16 0.00 -0.99 0.00 0.00 60.65 58.38 1fa3 s ILE 38 Cb -0.19 -1.24 0.02 0.00 2.95 0.00 0.00 42.46 44.00 1fa3 s ILE 38 CO 0.24 -0.79 1.21 0.00 -1.79 0.00 0.00 174.94 173.81 1fa3 s ARG 39 N -3.15 2.40 0.57 0.37 1.70 -1.26 -3.83 118.95 115.75 1fa3 s ARG 39 Ca 0.02 1.77 -0.16 0.00 -0.47 0.00 0.00 55.73 56.90 1fa3 s ARG 39 Cb 0.02 -1.86 -0.05 0.00 -0.57 0.00 0.00 34.95 32.48 1fa3 s ARG 39 CO -0.05 -1.64 1.03 -1.25 -1.08 0.00 0.00 175.30 172.31 1fa3 s PRO 40 N -3.76 3.52 -0.03 3.89 0.04 -1.26 -4.90 135.00 132.49 1fa3 s PRO 40 Ca 0.75 1.12 0.01 0.00 0.04 0.00 0.00 61.00 62.92 1fa3 s PRO 40 Cb -0.29 -2.06 0.02 0.00 0.04 0.00 0.00 34.50 32.20 1fa3 s PRO 40 CO 0.42 -0.64 -0.00 0.00 0.04 0.00 0.00 177.00 176.81 1fa3 s MET 42 N 0.88 0.78 0.04 0.00 -1.94 0.11 -0.66 119.30 118.50 1fa3 s MET 42 Ca -0.09 -1.23 -0.07 0.00 -1.71 0.00 0.00 55.69 52.59 1fa3 s MET 42 Cb -0.12 -0.22 -0.00 0.00 2.01 0.00 0.00 34.83 36.49 1fa3 s MET 42 CO -0.01 -0.00 0.14 -1.59 -0.01 0.00 0.00 175.02 173.54 1fa3 s LYS 43 N -3.40 0.63 -0.05 2.03 -2.85 -0.09 -0.50 119.74 115.51 1fa3 s LYS 43 Ca 0.08 -0.68 -0.06 0.00 -1.00 0.00 0.00 55.97 54.31 1fa3 s LYS 43 Cb 0.02 0.25 0.01 0.00 -2.06 0.00 0.00 37.83 36.06 1fa3 s LYS 43 CO -0.04 -0.17 0.15 0.21 0.10 0.00 0.00 175.35 175.61 1fa3 s LYS 44 N -2.53 0.25 -0.08 1.78 2.36 0.22 -0.97 119.74 120.78 1fa3 s LYS 44 Ca -0.05 0.09 -0.30 0.00 -2.55 0.00 0.00 55.97 53.16 1fa3 s LYS 44 Cb -0.01 0.11 -0.03 0.00 -1.05 0.00 0.00 37.83 36.85 1fa3 s LYS 44 CO -0.04 -0.04 1.28 0.99 1.55 0.00 0.00 175.35 179.09 1fa3 s THR 45 N -0.22 4.11 -0.55 3.43 2.01 -1.26 -0.26 115.64 122.90 1fa3 s THR 45 Ca -0.03 1.42 -0.17 0.00 0.31 0.00 0.00 61.69 63.22 1fa3 s THR 45 Cb -0.03 -3.92 0.11 0.00 0.01 0.00 0.00 72.50 68.68 1fa3 s THR 45 CO 0.00 -0.05 0.58 -0.63 -0.69 0.00 0.00 174.62 173.83 1fa3 s ILE 46 N 2.74 5.04 0.72 1.82 1.09 0.50 -4.91 121.20 128.21 1fa3 s ILE 46 Ca 0.58 -1.20 -0.11 0.00 -1.10 0.00 0.00 60.65 58.83 1fa3 s ILE 46 Cb -0.26 -4.37 0.04 0.00 -1.06 0.00 0.00 42.46 36.81 1fa3 s ILE 46 CO 0.21 -0.93 1.09 -0.31 -0.10 0.00 0.00 174.94 174.90 1fa3 s TYR 47 N 2.09 3.18 0.13 3.97 2.02 -1.26 -1.18 117.35 126.29 1fa3 s TYR 47 Ca 0.07 0.87 -0.10 0.00 -0.37 0.00 0.00 57.07 57.55 1fa3 s TYR 47 Cb -0.26 -3.16 -0.00 0.00 -0.40 0.00 0.00 41.96 38.13 1fa3 s TYR 47 CO 0.05 -1.33 0.26 -2.00 -1.57 0.00 0.00 175.55 170.96 1fa3 s GLU 48 N -5.37 1.00 0.10 -0.62 2.12 0.44 -4.66 118.70 111.70 1fa3 s GLU 48 Ca 0.59 -1.02 -0.26 0.00 0.36 0.00 0.00 54.97 54.64 1fa3 s GLU 48 Cb -0.11 0.37 -0.12 0.00 0.26 0.00 0.00 34.13 34.53 1fa3 s GLU 48 CO 0.50 -0.35 1.68 -0.97 -0.54 0.00 0.00 175.26 175.57 1fa3 h ASN 49 N 2.62 -0.44 0.00 -1.70 -0.00 -1.87 -2.55 115.58 111.64 1fa3 h ASN 49 Ca -0.33 0.04 0.00 0.00 -0.00 0.00 0.00 56.30 56.01 1fa3 h ASN 49 Cb 1.22 0.15 0.00 0.00 -0.00 0.00 0.00 38.32 39.69 1fa3 h ASN 49 CO 0.52 -0.25 0.00 1.21 -0.00 0.00 0.00 177.43 178.90 1fa3 n GLU 50 N -5.29 0.00 -1.44 6.67 4.07 -1.26 -1.78 120.64 121.61 1fa3 n GLU 50 Ca -0.08 0.00 -0.39 0.00 -0.06 0.00 0.00 57.16 56.63 1fa3 n GLU 50 Cb 0.21 0.00 -0.02 0.00 -0.06 0.00 0.00 31.44 31.57 1fa3 n GLU 50 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1fa3 n GLY 51 N 0.00 4.19 0.52 8.31 0.00 -1.26 -4.81 105.19 112.14 1fa3 n GLY 51 Ca 0.00 -1.49 0.06 0.00 0.00 0.00 0.00 46.02 44.59 1fa3 n GLY 51 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1fa3 n PHE 52 N 4.76 -1.38 -0.90 1.61 7.35 -0.74 -4.90 117.46 123.27 1fa3 n PHE 52 Ca 0.65 0.75 -0.41 0.00 -0.76 0.00 0.00 57.45 57.69 1fa3 n PHE 52 Cb 0.29 -1.26 -0.08 0.00 0.35 0.00 0.00 39.48 38.79 1fa3 n PHE 52 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1fa3 n ARG 53 N -2.94 0.00 -3.88 -4.13 1.74 -1.17 -4.80 116.66 101.48 1fa3 n ARG 53 Ca -0.03 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.94 1fa3 n ARG 53 Cb 0.25 -0.99 -0.11 0.00 -1.02 0.00 0.00 32.46 30.58 1fa3 n ARG 53 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1fa3 s GLU 54 N 3.51 0.29 -0.68 5.56 2.12 -0.96 -5.02 118.70 123.51 1fa3 s GLU 54 Ca 0.77 -0.21 -0.27 0.00 0.36 0.00 0.00 54.97 55.62 1fa3 s GLU 54 Cb -0.99 0.12 0.03 0.00 0.26 0.00 0.00 34.13 33.55 1fa3 s GLU 54 CO 0.46 -0.06 1.23 0.42 -0.54 0.00 0.00 175.26 176.77 1fa3 s ILE 55 N -0.78 3.86 -0.39 -3.70 1.01 -1.26 -0.42 121.20 119.52 1fa3 s ILE 55 Ca -0.09 0.51 0.23 0.00 0.00 0.00 0.00 60.65 61.30 1fa3 s ILE 55 Cb -0.05 -4.84 0.19 0.00 0.01 0.00 0.00 42.46 37.77 1fa3 s ILE 55 CO 0.00 -1.67 1.39 0.07 0.00 0.00 0.00 174.94 174.74 1fa3 h LYS 56 N 9.84 0.00 0.00 2.79 5.09 -1.42 -3.45 116.57 129.42 1fa3 h LYS 56 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.47 1fa3 h LYS 56 Cb 1.05 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.38 1fa3 h LYS 56 CO 1.24 0.00 0.00 0.41 -2.09 0.00 0.00 179.45 179.01 1fa3 n GLY 57 N 1.15 1.32 3.20 0.07 0.00 -0.44 -0.04 105.19 110.45 1fa3 n GLY 57 Ca 0.03 -0.83 -0.09 0.00 0.00 0.00 0.00 46.02 45.12 1fa3 n GLY 57 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1fa3 s TYR 58 N -4.44 0.68 0.07 1.61 1.51 0.38 -0.37 117.35 116.79 1fa3 s TYR 58 Ca 0.00 -1.07 0.09 0.00 -1.01 0.00 0.00 57.07 55.08 1fa3 s TYR 58 Cb 0.00 -0.34 -0.03 0.00 -0.11 0.00 0.00 41.96 41.48 1fa3 s TYR 58 CO 0.00 -0.56 -0.24 -2.00 -1.11 0.00 0.00 175.55 171.64 1fa3 s GLU 59 N -4.01 1.48 -0.02 -0.62 2.12 0.64 -0.60 118.70 117.71 1fa3 s GLU 59 Ca 0.20 -1.09 0.05 0.00 0.36 0.00 0.00 54.97 54.49 1fa3 s GLU 59 Cb 0.06 -1.70 -0.01 0.00 0.26 0.00 0.00 34.13 32.74 1fa3 s GLU 59 CO -0.00 0.43 -0.16 0.71 -0.54 0.00 0.00 175.26 175.69 1fa3 s TYR 60 N -0.89 1.48 -0.09 5.30 1.51 0.97 -0.61 117.35 125.03 1fa3 s TYR 60 Ca 0.10 -0.32 -0.02 0.00 -1.01 0.00 0.00 57.07 55.82 1fa3 s TYR 60 Cb -0.10 -0.97 0.04 0.00 -0.11 0.00 0.00 41.96 40.82 1fa3 s TYR 60 CO 0.03 -0.06 0.03 -1.14 -1.11 0.00 0.00 175.55 173.30 1fa3 s GLN 61 N -0.27 0.40 -0.07 -0.62 0.74 0.35 -0.94 119.66 119.26 1fa3 s GLN 61 Ca 0.04 0.08 -0.16 0.00 0.05 0.00 0.00 55.36 55.37 1fa3 s GLN 61 Cb -0.07 -1.11 0.03 0.00 1.10 0.00 0.00 33.01 32.96 1fa3 s GLN 61 CO -0.00 -0.39 0.37 -0.48 -0.55 0.00 0.00 175.29 174.24 1fa3 s LEU 62 N 2.02 0.61 -0.09 3.68 0.05 -0.15 -0.71 118.68 124.08 1fa3 s LEU 62 Ca 0.04 0.40 -0.20 0.00 0.05 0.00 0.00 54.13 54.42 1fa3 s LEU 62 Cb -0.13 1.39 -0.04 0.00 -2.05 0.00 0.00 46.19 45.36 1fa3 s LEU 62 CO -0.05 -0.34 0.56 -0.31 -0.55 0.00 0.00 176.35 175.65 1fa3 s TYR 63 N -0.75 3.55 -0.02 3.48 2.02 -1.22 -0.47 117.35 123.94 1fa3 s TYR 63 Ca -0.08 1.03 0.02 0.00 -0.37 0.00 0.00 57.07 57.66 1fa3 s TYR 63 Cb -0.04 -2.63 0.01 0.00 -0.40 0.00 0.00 41.96 38.90 1fa3 s TYR 63 CO 0.03 0.17 -0.06 0.54 -1.57 0.00 0.00 175.55 174.66 1fa3 s VAL 64 N 0.57 0.59 -0.11 0.71 0.11 0.31 -0.66 120.40 121.92 1fa3 s VAL 64 Ca 0.30 -0.24 -0.21 0.00 -2.93 0.00 0.00 61.98 58.90 1fa3 s VAL 64 Cb -0.16 -0.55 -0.04 0.00 -1.53 0.00 0.00 36.38 34.10 1fa3 s VAL 64 CO 0.13 0.20 0.60 -0.31 -3.33 0.00 0.00 175.10 172.39 1fa3 s TYR 65 N 0.33 3.51 -0.05 1.54 2.02 0.15 -0.87 117.35 123.98 1fa3 s TYR 65 Ca -0.04 1.04 -0.00 0.00 -0.37 0.00 0.00 57.07 57.70 1fa3 s TYR 65 Cb -0.09 -2.70 0.03 0.00 -0.40 0.00 0.00 41.96 38.80 1fa3 s TYR 65 CO 0.00 0.07 -0.01 0.00 -1.57 0.00 0.00 175.55 174.04 1fa3 s ALA 66 N 0.93 0.60 -1.56 3.71 0.00 0.01 -0.44 121.76 125.00 1fa3 s ALA 66 Ca 0.31 -0.03 -0.15 0.00 0.00 0.00 0.00 51.96 52.09 1fa3 s ALA 66 Cb -0.16 -0.54 0.10 0.00 0.00 0.00 0.00 23.12 22.52 1fa3 s ALA 66 CO 0.13 -0.22 0.96 0.45 0.00 0.00 0.00 175.76 177.09 1fa3 n SER 67 N 4.55 -4.66 -1.80 0.00 2.88 0.10 -0.56 113.62 114.13 1fa3 n SER 67 Ca -0.17 -0.81 -0.18 0.00 -1.33 0.00 0.00 58.87 56.37 1fa3 n SER 67 Cb 0.50 -3.72 -0.06 0.00 -0.75 0.00 0.00 64.21 60.18 1fa3 n SER 67 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1fa3 n ASP 68 N -2.81 -5.00 -4.48 -3.46 2.03 -1.26 -4.99 116.55 96.59 1fa3 n ASP 68 Ca 0.05 0.33 -0.33 0.00 0.52 0.00 0.00 54.79 55.36 1fa3 n ASP 68 Cb 0.52 -4.38 -0.13 0.00 -0.72 0.00 0.00 41.12 36.41 1fa3 n ASP 68 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1fa3 s LYS 69 N -4.01 3.40 -0.19 -0.67 -0.14 0.28 -5.10 119.74 113.30 1fa3 s LYS 69 Ca 0.00 -0.57 -0.19 0.00 -1.36 0.00 0.00 55.97 53.85 1fa3 s LYS 69 Cb 0.00 -2.77 -0.03 0.00 -1.68 0.00 0.00 37.83 33.35 1fa3 s LYS 69 CO 0.00 0.32 0.54 -1.17 -0.76 0.00 0.00 175.35 174.28 1fa3 s LEU 70 N 0.11 4.16 0.15 3.17 1.98 -1.26 -0.81 118.68 126.17 1fa3 s LEU 70 Ca -0.03 0.72 0.05 0.00 -2.89 0.00 0.00 54.13 51.98 1fa3 s LEU 70 Cb -0.14 -2.74 -0.04 0.00 0.66 0.00 0.00 46.19 43.92 1fa3 s LEU 70 CO 0.03 -0.18 -0.11 -0.36 -1.89 0.00 0.00 176.35 173.84 1fa3 s PHE 71 N 1.60 1.30 -0.25 5.38 0.40 -0.05 -0.90 117.98 125.46 1fa3 s PHE 71 Ca 0.25 -0.72 -0.10 0.00 -0.60 0.00 0.00 56.93 55.76 1fa3 s PHE 71 Cb -0.15 -0.66 -0.05 0.00 0.51 0.00 0.00 43.02 42.67 1fa3 s PHE 71 CO 0.10 0.11 0.15 0.50 0.70 0.00 0.00 175.22 176.78 1fa3 s ARG 72 N -3.59 3.97 -0.14 0.44 6.06 0.45 -0.53 118.95 125.60 1fa3 s ARG 72 Ca 0.16 -0.32 -0.11 0.00 -2.50 0.00 0.00 55.73 52.96 1fa3 s ARG 72 Cb 0.01 -3.53 -0.05 0.00 0.06 0.00 0.00 34.95 31.45 1fa3 s ARG 72 CO 0.01 -0.03 0.22 0.00 -2.50 0.00 0.00 175.30 173.00 1fa3 s ALA 73 N 1.31 3.71 -0.13 6.12 0.00 0.39 0.00 121.76 133.15 1fa3 s ALA 73 Ca 0.07 -0.54 0.02 0.00 0.00 0.00 0.00 51.96 51.51 1fa3 s ALA 73 Cb -0.14 -2.22 0.01 0.00 0.00 0.00 0.00 23.12 20.77 1fa3 s ALA 73 CO 0.06 0.29 -0.18 0.34 0.00 0.00 0.00 175.76 176.27 1fa3 s ASP 74 N -0.14 2.77 0.12 0.00 -1.08 0.23 -0.98 116.67 117.60 1fa3 s ASP 74 Ca 0.15 -0.51 0.06 0.00 -0.52 0.00 0.00 52.55 51.72 1fa3 s ASP 74 Cb -0.13 -1.26 -0.04 0.00 -1.46 0.00 0.00 42.92 40.03 1fa3 s ASP 74 CO 0.03 0.04 -0.14 -0.63 0.52 0.00 0.00 175.17 175.00 1fa3 s ILE 75 N 0.95 1.33 0.26 4.11 1.09 -0.11 -0.45 121.20 128.37 1fa3 s ILE 75 Ca -0.06 -1.74 0.05 0.00 -1.10 0.00 0.00 60.65 57.80 1fa3 s ILE 75 Cb -0.15 -1.56 -0.06 0.00 -1.06 0.00 0.00 42.46 39.64 1fa3 s ILE 75 CO -0.03 -0.44 -0.04 -0.44 -0.10 0.00 0.00 174.94 173.90 1fa3 s SER 76 N -2.51 2.40 -0.04 3.58 0.01 0.45 -0.02 113.70 117.59 1fa3 s SER 76 Ca 0.10 -1.20 0.02 0.00 1.31 0.00 0.00 55.95 56.18 1fa3 s SER 76 Cb -0.04 -0.10 0.01 0.00 0.21 0.00 0.00 66.02 66.09 1fa3 s SER 76 CO 0.03 -0.40 -0.09 -0.70 0.41 0.00 0.00 173.24 172.49 1fa3 s GLU 77 N -3.78 1.08 -0.38 12.44 -6.30 0.24 -1.03 118.70 120.97 1fa3 s GLU 77 Ca 0.29 -0.28 -0.10 0.00 -2.50 0.00 0.00 54.97 52.37 1fa3 s GLU 77 Cb 0.04 -0.99 0.04 0.00 0.00 0.00 0.00 34.13 33.23 1fa3 s GLU 77 CO 0.10 0.06 0.21 -0.51 0.02 0.00 0.00 175.26 175.14 1fa3 s ASP 78 N 0.44 5.69 0.48 -1.70 1.11 0.46 -0.47 116.67 122.68 1fa3 s ASP 78 Ca -0.07 -1.11 0.17 0.00 0.18 0.00 0.00 52.55 51.72 1fa3 s ASP 78 Cb -0.11 -2.01 1.17 0.00 1.07 0.00 0.00 42.92 43.04 1fa3 s ASP 78 CO 0.01 -0.41 2.02 0.22 1.18 0.00 0.00 175.17 178.19 1fa3 h TYR 79 N 8.42 0.23 -0.77 4.23 3.20 -0.77 0.22 116.97 131.73 1fa3 h TYR 79 Ca -0.25 0.01 0.22 0.00 3.14 0.00 0.00 58.73 61.85 1fa3 h TYR 79 Cb 1.10 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 39.26 1fa3 h TYR 79 CO 0.58 0.12 0.73 0.87 -1.64 0.00 0.00 178.16 178.81 1fa3 h LYS 80 N 0.23 0.00 0.00 1.82 1.57 -1.91 -2.24 116.57 116.04 1fa3 h LYS 80 Ca 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1fa3 h LYS 80 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1fa3 h LYS 80 CO -0.04 0.00 -0.30 2.41 -0.57 0.00 0.00 179.45 180.95 1fa3 n THR 81 N -3.75 0.00 -2.60 -0.16 -1.04 -0.53 -4.97 114.28 101.23 1fa3 n THR 81 Ca 0.16 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 62.05 1fa3 n THR 81 Cb 0.99 0.49 -0.00 0.00 -1.82 0.00 0.00 70.33 69.99 1fa3 n THR 81 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 1fa3 n ARG 82 N 0.00 -2.54 -3.25 -2.82 0.63 0.65 -4.90 116.66 104.43 1fa3 n ARG 82 Ca 0.00 0.46 -0.39 0.00 -0.92 0.00 0.00 57.85 57.00 1fa3 n ARG 82 Cb 0.62 -5.06 -0.06 0.00 0.45 0.00 0.00 32.46 28.41 1fa3 n ARG 82 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 1fa3 s GLY 83 N -2.13 2.17 0.41 5.14 0.00 -0.50 -4.74 107.32 107.66 1fa3 s GLY 83 Ca 0.06 -0.32 0.05 0.00 0.00 0.00 0.00 44.72 44.52 1fa3 s GLY 83 CO 0.08 1.02 0.57 0.50 0.00 0.00 0.00 173.10 175.27 1fa3 s ARG 84 N 1.37 2.95 -0.29 2.90 0.52 -1.26 -0.40 118.95 124.74 1fa3 s ARG 84 Ca 0.25 -0.97 -0.15 0.00 -0.52 0.00 0.00 55.73 54.34 1fa3 s ARG 84 Cb -0.15 -2.72 0.12 0.00 0.52 0.00 0.00 34.95 32.72 1fa3 s ARG 84 CO 0.10 -0.19 0.82 -1.59 0.02 0.00 0.00 175.30 174.46 1fa3 s LYS 85 N -4.36 0.53 -0.01 3.54 -2.85 -0.20 -4.96 119.74 111.42 1fa3 s LYS 85 Ca 0.50 0.98 -0.30 0.00 -1.00 0.00 0.00 55.97 56.15 1fa3 s LYS 85 Cb -0.10 0.21 -0.07 0.00 -2.06 0.00 0.00 37.83 35.82 1fa3 s LYS 85 CO 0.34 -0.12 1.65 -1.17 0.10 0.00 0.00 175.35 176.14 1fa3 s LEU 86 N 1.71 4.34 -0.17 2.77 2.96 -1.26 -0.41 118.68 128.62 1fa3 s LEU 86 Ca -0.09 2.32 -0.24 0.00 -0.22 0.00 0.00 54.13 55.90 1fa3 s LEU 86 Cb -0.05 -3.54 -0.22 0.00 0.50 0.00 0.00 46.19 42.88 1fa3 s LEU 86 CO -0.18 -0.90 0.49 -0.07 -1.32 0.00 0.00 176.35 174.37 1fa3 h LEU 87 N 9.58 0.00 -7.13 -0.68 4.07 -1.08 -3.47 115.31 116.61 1fa3 h LEU 87 Ca -0.41 -0.74 0.03 0.00 0.08 0.00 0.00 57.88 56.84 1fa3 h LEU 87 Cb 1.19 0.00 -0.12 0.00 1.08 0.00 0.00 40.66 42.81 1fa3 h LEU 87 CO 0.94 1.18 0.29 -0.60 -1.08 0.00 0.00 178.44 179.17 1fa3 s ARG 88 N -2.26 1.23 -0.56 1.13 3.52 -0.60 -5.02 118.95 116.40 1fa3 s ARG 88 Ca -0.22 -0.49 0.04 0.00 -0.13 0.00 0.00 55.73 54.92 1fa3 s ARG 88 Cb 0.01 0.54 0.16 0.00 -1.56 0.00 0.00 34.95 34.10 1fa3 s ARG 88 CO 0.61 -0.54 0.39 0.12 -0.81 0.00 0.00 175.30 175.08 1fa3 s PHE 89 N -3.61 2.52 0.13 5.12 5.36 -1.26 -0.60 117.98 125.65 1fa3 s PHE 89 Ca 0.03 -2.86 -0.26 0.00 -0.96 0.00 0.00 56.93 52.88 1fa3 s PHE 89 Cb -0.02 -2.02 -0.07 0.00 -0.34 0.00 0.00 43.02 40.57 1fa3 s PHE 89 CO -0.09 -0.68 0.81 -0.80 -1.46 0.00 0.00 175.22 173.00 1fa3 s ASN 90 N -0.62 7.38 0.00 6.13 -0.87 0.10 -4.87 114.94 122.19 1fa3 s ASN 90 Ca 0.26 1.64 0.00 0.00 -1.57 0.00 0.00 52.86 53.19 1fa3 s ASN 90 Cb -0.06 -2.51 0.00 0.00 -0.02 0.00 0.00 41.25 38.65 1fa3 s ASN 90 CO -0.14 0.12 0.00 0.61 -2.57 0.00 0.00 177.10 175.12 1fa3 n GLY 91 N 1.88 0.97 3.76 0.66 0.00 -1.26 -0.41 105.19 110.80 1fa3 n GLY 91 Ca -0.03 -1.89 -0.33 0.00 0.00 0.00 0.00 46.02 43.76 1fa3 n GLY 91 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1fa3 s PRO 92 N -2.00 2.77 0.01 1.61 0.04 -1.26 -5.06 135.00 131.10 1fa3 s PRO 92 Ca 0.00 1.47 -0.04 0.00 0.04 0.00 0.00 61.00 62.47 1fa3 s PRO 92 Cb 0.00 -1.94 -0.01 0.00 0.04 0.00 0.00 34.50 32.59 1fa3 s PRO 92 CO 0.00 -1.29 0.06 0.14 0.04 0.00 0.00 177.00 175.95 1fa3 s VAL 93 N -2.22 0.09 0.63 -0.36 -7.23 -0.08 -5.01 120.40 106.22 1fa3 s VAL 93 Ca 0.69 -0.73 -0.14 0.00 -1.81 0.00 0.00 61.98 59.98 1fa3 s VAL 93 Cb -0.22 -0.34 -0.02 0.00 0.56 0.00 0.00 36.38 36.36 1fa3 s VAL 93 CO 0.40 -0.40 1.07 -2.16 -0.31 0.00 0.00 175.10 173.70 1fa3 s PRO 94 N -1.31 3.08 0.46 4.82 0.04 -1.26 -4.26 135.00 136.57 1fa3 s PRO 94 Ca -0.14 1.21 -0.24 0.00 0.04 0.00 0.00 61.00 61.87 1fa3 s PRO 94 Cb -0.08 -2.00 -0.07 0.00 0.04 0.00 0.00 34.50 32.39 1fa3 s PRO 94 CO 0.00 -1.00 1.24 -1.25 0.04 0.00 0.00 177.00 176.03 1fa3 s PRO 95 N -4.27 3.71 0.00 0.56 0.04 -1.26 -5.09 135.00 128.68 1fa3 s PRO 95 Ca 0.63 1.96 0.14 0.00 0.04 0.00 0.00 61.00 63.78 1fa3 s PRO 95 Cb -0.17 -2.48 0.86 0.00 0.04 0.00 0.00 34.50 32.75 1fa3 s PRO 95 CO 0.42 -0.65 1.28 -0.35 0.04 0.00 0.00 177.00 177.74