#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fa3 n GLU 2 N 0.00 3.63 -2.78 1.61 4.71 -1.26 -2.38 120.64 124.17 1fa3 n GLU 2 Ca 0.00 -2.38 -0.03 0.00 -0.01 0.00 0.00 57.16 54.74 1fa3 n GLU 2 Cb 0.00 -2.87 -0.03 0.00 -1.01 0.00 0.00 31.44 27.53 1fa3 n GLU 2 CO 0.00 0.00 0.00 0.91 0.09 0.00 0.00 177.13 178.13 1fa3 n TRP 3 N 3.86 -2.98 -3.94 -0.32 5.03 -1.25 -5.08 117.44 112.75 1fa3 n TRP 3 Ca 0.73 1.68 -0.09 0.00 3.03 0.00 0.00 57.50 62.84 1fa3 n TRP 3 Cb 0.26 -2.98 -0.10 0.00 -1.03 0.00 0.00 31.31 27.47 1fa3 n TRP 3 CO 0.00 0.00 0.00 -2.00 -0.03 0.00 0.00 177.69 175.66 1fa3 s GLU 4 N -0.60 0.56 0.26 -0.99 2.56 -0.59 -4.99 118.70 114.91 1fa3 s GLU 4 Ca -0.17 -0.75 -0.30 0.00 0.00 0.00 0.00 54.97 53.76 1fa3 s GLU 4 Cb 0.01 0.22 -0.09 0.00 2.00 0.00 0.00 34.13 36.27 1fa3 s GLU 4 CO 0.54 -0.13 1.04 0.42 -0.56 0.00 0.00 175.26 176.56 1fa3 s ILE 5 N -2.51 3.72 0.21 -3.70 1.01 -1.26 -0.54 121.20 118.12 1fa3 s ILE 5 Ca -0.06 1.73 0.08 0.00 0.00 0.00 0.00 60.65 62.40 1fa3 s ILE 5 Cb -0.02 -4.10 -0.04 0.00 0.01 0.00 0.00 42.46 38.31 1fa3 s ILE 5 CO -0.04 0.41 0.04 0.27 0.00 0.00 0.00 174.94 175.62 1fa3 s ILE 6 N -1.14 3.85 0.21 2.92 -4.36 0.05 -4.90 121.20 117.83 1fa3 s ILE 6 Ca 0.43 -1.50 -0.31 0.00 -0.26 0.00 0.00 60.65 59.01 1fa3 s ILE 6 Cb -0.30 -2.99 -0.11 0.00 1.25 0.00 0.00 42.46 40.32 1fa3 s ILE 6 CO 0.37 -0.21 1.61 -1.81 0.24 0.00 0.00 174.94 175.14 1fa3 s ASP 7 N -3.27 6.49 -0.21 4.36 1.11 -1.26 -4.78 116.67 119.10 1fa3 s ASP 7 Ca 0.30 2.76 -0.27 0.00 0.18 0.00 0.00 52.55 55.51 1fa3 s ASP 7 Cb -0.08 -2.61 -0.00 0.00 1.07 0.00 0.00 42.92 41.30 1fa3 s ASP 7 CO 0.20 -0.87 0.94 0.27 1.18 0.00 0.00 175.17 176.89 1fa3 s ILE 8 N 0.85 4.77 0.00 0.77 -5.25 -1.26 -4.65 121.20 116.43 1fa3 s ILE 8 Ca 0.69 1.82 0.00 0.00 -0.99 0.00 0.00 60.65 62.17 1fa3 s ILE 8 Cb -0.46 -4.22 0.00 0.00 2.95 0.00 0.00 42.46 40.73 1fa3 s ILE 8 CO 0.35 -0.10 0.00 0.61 -1.79 0.00 0.00 174.94 174.01 1fa3 n GLY 9 N 3.47 1.36 0.23 6.27 0.00 -1.26 -4.99 105.19 110.27 1fa3 n GLY 9 Ca 0.08 -0.80 -0.00 0.00 0.00 0.00 0.00 46.02 45.30 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 0.00 0.41 -0.39 1.61 0.13 -1.98 0.21 132.00 131.99 1fa3 h PRO 10 Ca 0.00 -0.02 0.07 0.00 -0.87 0.00 0.00 66.00 65.17 1fa3 h PRO 10 Cb 0.00 -0.09 -0.09 0.00 0.13 0.00 0.00 31.00 30.95 1fa3 h PRO 10 CO 0.00 0.27 -0.43 0.35 -0.23 0.00 0.00 178.00 177.96 1fa3 h PHE 11 N 0.42 -1.25 -0.49 1.56 3.57 -1.97 0.13 116.94 118.91 1fa3 h PHE 11 Ca 0.30 0.07 -0.13 0.00 3.53 0.00 0.00 57.97 61.74 1fa3 h PHE 11 Cb 0.36 0.60 -0.01 0.00 2.79 0.00 0.00 35.95 39.69 1fa3 h PHE 11 CO -0.16 -0.44 -0.21 1.15 -2.23 0.00 0.00 178.31 176.41 1fa3 h THR 12 N -0.34 1.27 -0.29 4.41 2.02 -1.51 -2.40 112.91 116.08 1fa3 h THR 12 Ca 0.13 -1.38 0.07 0.00 0.77 0.00 0.00 66.41 66.00 1fa3 h THR 12 Cb 0.59 1.11 -0.08 0.00 -1.74 0.00 0.00 68.15 68.03 1fa3 h THR 12 CO -0.56 0.48 -0.25 1.56 0.37 0.00 0.00 175.52 177.12 1fa3 h GLN 13 N 0.87 -0.23 -0.35 6.66 1.08 -0.37 0.14 115.11 122.91 1fa3 h GLN 13 Ca 0.11 0.02 0.06 0.00 -1.45 0.00 0.00 58.65 57.39 1fa3 h GLN 13 Cb 0.79 0.05 -0.06 0.00 -0.05 0.00 0.00 27.48 28.22 1fa3 h GLN 13 CO 0.07 -0.15 0.01 -0.97 -0.95 0.00 0.00 178.83 176.84 1fa3 h ASN 14 N -0.24 -0.12 -0.65 1.46 -0.73 -0.53 0.11 115.58 114.89 1fa3 h ASN 14 Ca 0.15 0.08 -0.05 0.00 1.87 0.00 0.00 56.30 58.35 1fa3 h ASN 14 Cb 0.47 0.13 -0.03 0.00 0.27 0.00 0.00 38.32 39.17 1fa3 h ASN 14 CO -0.42 -0.02 0.21 -0.07 -0.37 0.00 0.00 177.43 176.76 1fa3 h LEU 15 N 0.11 0.94 -0.15 0.34 3.38 -1.09 -0.26 115.31 118.59 1fa3 h LEU 15 Ca 0.17 -0.20 0.04 0.00 0.09 0.00 0.00 57.88 57.98 1fa3 h LEU 15 Cb 0.23 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 1fa3 h LEU 15 CO -0.28 0.89 -0.12 1.23 0.09 0.00 0.00 178.44 180.26 1fa3 h GLY 16 N 0.94 -0.01 0.43 0.83 0.00 0.11 0.22 103.07 105.58 1fa3 h GLY 16 Ca 0.21 0.14 -0.00 0.00 0.00 0.00 0.00 47.33 47.68 1fa3 h GLY 16 CO -0.01 -0.13 -0.49 0.50 0.00 0.00 0.00 176.54 176.41 1fa3 h LYS 17 N -0.13 -0.87 -0.79 4.80 1.57 -0.61 -1.19 116.57 119.35 1fa3 h LYS 17 Ca 0.09 0.06 0.17 0.00 -1.87 0.00 0.00 60.65 59.10 1fa3 h LYS 17 Cb 0.27 0.20 -0.11 0.00 0.08 0.00 0.00 32.23 32.67 1fa3 h LYS 17 CO -0.22 -0.58 0.29 0.35 -0.57 0.00 0.00 179.45 178.72 1fa3 h PHE 18 N -0.91 0.48 0.08 -1.35 3.57 -0.79 0.30 116.94 118.33 1fa3 h PHE 18 Ca -0.04 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1fa3 h PHE 18 Cb 0.82 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.46 1fa3 h PHE 18 CO -0.30 -0.01 -0.08 0.00 -2.23 0.00 0.00 178.31 175.69 1fa3 h ALA 19 N 1.61 -0.15 -0.57 2.41 0.00 -0.20 0.20 119.26 122.57 1fa3 h ALA 19 Ca 0.46 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.33 1fa3 h ALA 19 Cb 0.77 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 1fa3 h ALA 19 CO -0.47 -0.60 0.27 0.28 0.00 0.00 0.00 179.25 178.73 1fa3 h VAL 20 N -0.18 1.21 -0.42 0.00 2.07 -0.32 -1.04 116.25 117.56 1fa3 h VAL 20 Ca 0.01 -0.58 0.02 0.00 0.82 0.00 0.00 66.70 66.96 1fa3 h VAL 20 Cb 0.17 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 1fa3 h VAL 20 CO -0.03 0.23 0.25 -0.78 0.02 0.00 0.00 177.57 177.27 1fa3 h ASP 21 N 0.77 0.42 -0.02 0.57 3.58 -0.01 0.16 116.42 121.89 1fa3 h ASP 21 Ca 0.19 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.64 1fa3 h ASP 21 Cb 0.12 -0.09 -0.00 0.00 1.72 0.00 0.00 39.33 41.08 1fa3 h ASP 21 CO -0.02 0.30 0.01 -0.08 -2.88 0.00 0.00 179.24 176.56 1fa3 h GLU 22 N 0.51 0.03 -0.71 0.28 4.81 -0.43 0.34 114.58 119.42 1fa3 h GLU 22 Ca 0.16 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.44 1fa3 h GLU 22 Cb -0.01 -0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.32 1fa3 h GLU 22 CO -0.07 0.22 0.42 1.49 -0.73 0.00 0.00 179.01 180.34 1fa3 h GLU 23 N -0.16 0.76 -0.73 1.92 4.81 -0.93 -1.29 114.58 118.97 1fa3 h GLU 23 Ca 0.01 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.13 1fa3 h GLU 23 Cb 0.20 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.38 1fa3 h GLU 23 CO -0.00 0.50 0.23 -0.91 -0.73 0.00 0.00 179.01 178.11 1fa3 h ASN 24 N 0.78 1.05 -0.57 1.04 4.21 -0.40 0.36 115.58 122.05 1fa3 h ASN 24 Ca 0.30 -0.19 -0.01 0.00 1.21 0.00 0.00 56.30 57.61 1fa3 h ASN 24 Cb 0.13 -0.27 -0.03 0.00 -1.12 0.00 0.00 38.32 37.03 1fa3 h ASN 24 CO -0.16 0.97 0.32 0.50 -1.29 0.00 0.00 177.43 177.77 1fa3 h LYS 25 N 1.08 0.79 -0.71 0.81 3.64 0.41 -0.56 116.57 122.04 1fa3 h LYS 25 Ca 0.24 -0.09 -0.07 0.00 -1.27 0.00 0.00 60.65 59.46 1fa3 h LYS 25 Cb 0.29 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 31.93 1fa3 h LYS 25 CO -0.01 0.60 0.17 0.82 -2.27 0.00 0.00 179.45 178.76 1fa3 h ILE 26 N 0.77 1.26 0.00 2.00 2.04 -1.04 -3.47 117.51 119.07 1fa3 h ILE 26 Ca 0.20 -0.98 0.00 0.00 1.00 0.00 0.00 64.86 65.09 1fa3 h ILE 26 Cb 0.04 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 36.66 1fa3 h ILE 26 CO -0.03 0.37 0.00 0.61 0.00 0.00 0.00 178.15 179.10 1fa3 n GLY 27 N -0.66 0.52 0.33 5.37 0.00 0.12 -4.97 105.19 105.90 1fa3 n GLY 27 Ca 0.05 -0.86 0.02 0.00 0.00 0.00 0.00 46.02 45.23 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 0.78 -0.38 1.61 5.75 -1.63 -0.04 115.11 121.20 1fa3 h GLN 28 Ca 0.00 -0.05 -0.26 0.00 -0.15 0.00 0.00 58.65 58.19 1fa3 h GLN 28 Cb 0.05 -0.18 -0.18 0.00 1.07 0.00 0.00 27.48 28.24 1fa3 h GLN 28 CO 0.00 0.52 -0.45 0.98 -2.65 0.00 0.00 178.83 177.23 1fa3 n TYR 29 N -4.45 1.33 -4.79 3.99 4.19 -1.26 -5.09 117.16 111.08 1fa3 n TYR 29 Ca 0.06 -1.85 0.00 0.00 3.31 0.00 0.00 57.90 59.43 1fa3 n TYR 29 Cb 0.06 -0.39 0.00 0.00 0.49 0.00 0.00 39.34 39.49 1fa3 n TYR 29 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1fa3 n GLY 30 N -0.97 1.53 3.21 2.98 0.00 -0.03 -4.29 105.19 107.61 1fa3 n GLY 30 Ca 0.33 -0.61 -0.41 0.00 0.00 0.00 0.00 46.02 45.33 1fa3 n GLY 30 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1fa3 s ARG 31 N 0.00 3.17 0.63 1.61 3.52 -1.26 -4.41 118.95 122.20 1fa3 s ARG 31 Ca 0.00 -2.64 -0.16 0.00 -0.13 0.00 0.00 55.73 52.80 1fa3 s ARG 31 Cb 0.00 -4.09 -0.02 0.00 -1.56 0.00 0.00 34.95 29.28 1fa3 s ARG 31 CO 0.00 -1.24 1.11 -0.51 -0.81 0.00 0.00 175.30 173.85 1fa3 s LEU 32 N -0.20 3.48 -0.43 -0.88 1.43 -1.26 -5.02 118.68 115.80 1fa3 s LEU 32 Ca 0.19 2.02 -0.07 0.00 -1.03 0.00 0.00 54.13 55.25 1fa3 s LEU 32 Cb -0.14 -4.56 0.10 0.00 0.03 0.00 0.00 46.19 41.62 1fa3 s LEU 32 CO -0.07 -1.50 0.25 -0.89 0.23 0.00 0.00 176.35 174.38 1fa3 s THR 33 N -2.22 3.88 0.44 5.49 2.01 -1.26 -5.00 115.64 118.98 1fa3 s THR 33 Ca 0.68 -1.71 -0.23 0.00 0.31 0.00 0.00 61.69 60.74 1fa3 s THR 33 Cb -0.21 -3.50 -0.10 0.00 0.01 0.00 0.00 72.50 68.70 1fa3 s THR 33 CO 0.38 -0.62 0.95 0.33 -0.69 0.00 0.00 174.62 174.97 1fa3 n PHE 34 N 4.80 0.93 0.02 4.92 7.35 -1.26 0.19 117.46 134.42 1fa3 n PHE 34 Ca -0.07 0.55 0.00 0.00 -0.76 0.00 0.00 57.45 57.16 1fa3 n PHE 34 Cb 0.42 -2.19 0.00 0.00 0.35 0.00 0.00 39.48 38.06 1fa3 n PHE 34 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 1fa3 n ASN 35 N 0.44 0.41 -3.71 -2.13 5.03 -0.09 -4.71 115.26 110.50 1fa3 n ASN 35 Ca 0.10 0.06 -0.08 0.00 0.87 0.00 0.00 54.58 55.53 1fa3 n ASN 35 Cb 0.40 -0.12 -0.02 0.00 -1.02 0.00 0.00 39.78 39.03 1fa3 n ASN 35 CO 0.00 0.00 0.00 -1.59 -1.83 0.00 0.00 177.26 173.84 1fa3 s LYS 36 N -1.38 1.53 0.22 3.52 0.00 -0.80 -5.03 119.74 117.80 1fa3 s LYS 36 Ca 0.00 -0.77 -0.09 0.00 0.00 0.00 0.00 55.97 55.11 1fa3 s LYS 36 Cb 0.00 0.57 -0.07 0.00 0.00 0.00 0.00 37.83 38.33 1fa3 s LYS 36 CO 0.00 -0.69 0.52 0.54 0.00 0.00 0.00 175.35 175.72 1fa3 s VAL 37 N -3.75 4.97 0.29 1.79 0.11 -1.26 -0.05 120.40 122.49 1fa3 s VAL 37 Ca 0.08 0.38 -0.01 0.00 -2.93 0.00 0.00 61.98 59.50 1fa3 s VAL 37 Cb -0.04 -3.62 -0.02 0.00 -1.53 0.00 0.00 36.38 31.17 1fa3 s VAL 37 CO 0.00 -0.07 0.33 0.27 -3.33 0.00 0.00 175.10 172.31 1fa3 s ILE 38 N -1.81 0.00 0.58 7.04 -5.25 -1.07 -4.88 121.20 115.82 1fa3 s ILE 38 Ca 0.46 -1.77 -0.16 0.00 -0.99 0.00 0.00 60.65 58.19 1fa3 s ILE 38 Cb -0.11 -2.50 -0.04 0.00 2.95 0.00 0.00 42.46 42.75 1fa3 s ILE 38 CO 0.22 0.00 1.04 0.00 -1.79 0.00 0.00 174.94 174.41 1fa3 s ARG 39 N -3.60 3.44 0.61 0.37 3.03 -1.26 -4.20 118.95 117.34 1fa3 s ARG 39 Ca 0.34 1.14 -0.13 0.00 2.03 0.00 0.00 55.73 59.11 1fa3 s ARG 39 Cb 0.02 -2.05 -0.03 0.00 -1.03 0.00 0.00 34.95 31.86 1fa3 s ARG 39 CO 0.18 -0.70 1.04 -1.25 -1.13 0.00 0.00 175.30 173.43 1fa3 s PRO 40 N -4.10 3.41 -0.35 3.89 0.04 -1.26 -4.80 135.00 131.82 1fa3 s PRO 40 Ca 0.62 0.98 0.05 0.00 0.04 0.00 0.00 61.00 62.69 1fa3 s PRO 40 Cb -0.15 -2.05 0.17 0.00 0.04 0.00 0.00 34.50 32.51 1fa3 s PRO 40 CO 0.36 -0.72 0.48 0.00 0.04 0.00 0.00 177.00 177.17 1fa3 s MET 42 N 2.00 3.16 0.01 0.00 -1.94 0.41 -0.77 119.30 122.18 1fa3 s MET 42 Ca 0.14 -0.73 0.03 0.00 -1.71 0.00 0.00 55.69 53.41 1fa3 s MET 42 Cb -0.11 -2.80 -0.01 0.00 2.01 0.00 0.00 34.83 33.92 1fa3 s MET 42 CO -0.14 0.51 -0.09 0.21 -0.01 0.00 0.00 175.02 175.49 1fa3 s LYS 43 N -3.14 0.65 -0.05 2.03 2.20 0.30 -0.71 119.74 121.01 1fa3 s LYS 43 Ca 0.33 -0.48 -0.10 0.00 -0.36 0.00 0.00 55.97 55.36 1fa3 s LYS 43 Cb -0.11 -0.59 0.02 0.00 -1.51 0.00 0.00 37.83 35.64 1fa3 s LYS 43 CO 0.26 0.15 0.24 0.21 -0.36 0.00 0.00 175.35 175.85 1fa3 s LYS 44 N -0.70 0.44 0.32 4.03 2.36 -0.04 -1.55 119.74 124.61 1fa3 s LYS 44 Ca -0.00 0.03 -0.29 0.00 -2.55 0.00 0.00 55.97 53.16 1fa3 s LYS 44 Cb -0.06 0.20 -0.10 0.00 -1.05 0.00 0.00 37.83 36.82 1fa3 s LYS 44 CO 0.00 -0.09 1.37 0.99 1.55 0.00 0.00 175.35 179.17 1fa3 s THR 45 N -0.61 2.57 -0.15 3.43 2.01 -1.00 -0.35 115.64 121.54 1fa3 s THR 45 Ca -0.07 0.56 -0.01 0.00 0.31 0.00 0.00 61.69 62.48 1fa3 s THR 45 Cb -0.04 -3.35 -0.01 0.00 0.01 0.00 0.00 72.50 69.10 1fa3 s THR 45 CO 0.02 0.12 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.33 1fa3 s ILE 46 N -0.92 3.09 0.31 1.82 1.09 0.47 -4.79 121.20 122.28 1fa3 s ILE 46 Ca 0.52 -0.63 -0.18 0.00 -1.10 0.00 0.00 60.65 59.25 1fa3 s ILE 46 Cb -0.41 -2.32 0.06 0.00 -1.06 0.00 0.00 42.46 38.72 1fa3 s ILE 46 CO 0.53 0.50 0.87 -0.72 -0.10 0.00 0.00 174.94 176.02 1fa3 s TYR 47 N 0.65 0.07 0.11 3.97 1.13 -1.26 -0.77 117.35 121.25 1fa3 s TYR 47 Ca -0.06 -0.64 0.00 0.00 -1.41 0.00 0.00 57.07 54.96 1fa3 s TYR 47 Cb -0.15 0.78 -0.04 0.00 -1.10 0.00 0.00 41.96 41.45 1fa3 s TYR 47 CO 0.02 -1.33 0.00 -1.21 -2.51 0.00 0.00 175.55 170.53 1fa3 s GLU 48 N -2.43 0.87 -0.07 -3.49 2.02 -0.20 -4.87 118.70 110.53 1fa3 s GLU 48 Ca 0.17 -1.38 -0.00 0.00 0.02 0.00 0.00 54.97 53.77 1fa3 s GLU 48 Cb -0.04 0.05 -0.04 0.00 0.10 0.00 0.00 34.13 34.20 1fa3 s GLU 48 CO 0.09 -0.15 -0.06 -1.71 0.02 0.00 0.00 175.26 173.44 1fa3 n ASN 49 N -0.06 3.10 -4.69 -0.19 5.15 -1.25 -0.76 115.26 116.56 1fa3 n ASN 49 Ca -0.09 -0.02 -0.37 0.00 -0.60 0.00 0.00 54.58 53.50 1fa3 n ASN 49 Cb 0.62 -0.12 0.06 0.00 -0.53 0.00 0.00 39.78 39.82 1fa3 n ASN 49 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1fa3 n GLU 50 N -2.77 1.09 0.00 1.20 1.02 -1.26 -2.78 120.64 117.15 1fa3 n GLU 50 Ca -0.12 0.43 0.00 0.00 -0.02 0.00 0.00 57.16 57.45 1fa3 n GLU 50 Cb 0.62 -2.42 0.00 0.00 -0.02 0.00 0.00 31.44 29.62 1fa3 n GLU 50 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1fa3 n GLY 51 N 1.03 1.54 3.54 0.62 0.00 -1.26 -4.68 105.19 105.98 1fa3 n GLY 51 Ca 0.15 -0.01 -0.10 0.00 0.00 0.00 0.00 46.02 46.06 1fa3 n GLY 51 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1fa3 s PHE 52 N 0.00 -0.43 -0.25 1.61 5.36 -1.12 -5.11 117.98 118.04 1fa3 s PHE 52 Ca 0.00 0.16 -0.28 0.00 -0.96 0.00 0.00 56.93 55.85 1fa3 s PHE 52 Cb 0.00 0.60 -0.04 0.00 -0.34 0.00 0.00 43.02 43.24 1fa3 s PHE 52 CO 0.00 -0.93 2.03 -0.98 -1.46 0.00 0.00 175.22 173.87 1fa3 s ARG 53 N -3.75 3.26 -0.20 10.12 1.70 -1.21 -3.88 118.95 125.00 1fa3 s ARG 53 Ca 0.04 1.80 -0.09 0.00 -0.47 0.00 0.00 55.73 57.01 1fa3 s ARG 53 Cb -0.02 -4.29 0.08 0.00 -0.57 0.00 0.00 34.95 30.15 1fa3 s ARG 53 CO -0.07 -1.94 0.46 -2.00 -1.08 0.00 0.00 175.30 170.66 1fa3 s GLU 54 N 5.96 0.42 0.22 3.89 2.56 0.07 -5.00 118.70 126.82 1fa3 s GLU 54 Ca 0.91 0.98 -0.30 0.00 0.00 0.00 0.00 54.97 56.56 1fa3 s GLU 54 Cb -0.29 0.19 -0.09 0.00 2.00 0.00 0.00 34.13 35.94 1fa3 s GLU 54 CO 0.35 -0.20 1.34 0.42 -0.56 0.00 0.00 175.26 176.61 1fa3 s ILE 55 N 1.99 3.02 -0.01 -3.70 1.01 -1.26 -1.04 121.20 121.21 1fa3 s ILE 55 Ca -0.06 0.86 0.03 0.00 0.00 0.00 0.00 60.65 61.47 1fa3 s ILE 55 Cb -0.10 -3.55 -0.04 0.00 0.01 0.00 0.00 42.46 38.78 1fa3 s ILE 55 CO -0.14 0.14 0.06 2.29 0.00 0.00 0.00 174.94 177.29 1fa3 n LYS 56 N 2.39 0.49 -1.30 2.79 2.85 -0.25 -4.94 118.16 120.19 1fa3 n LYS 56 Ca 0.06 -0.02 0.00 0.00 -1.05 0.00 0.00 58.31 57.29 1fa3 n LYS 56 Cb 0.42 -1.07 0.00 0.00 -0.65 0.00 0.00 35.03 33.73 1fa3 n LYS 56 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1fa3 n GLY 57 N 2.39 1.01 3.34 2.58 0.00 0.05 -0.69 105.19 113.87 1fa3 n GLY 57 Ca -0.01 -0.81 -0.18 0.00 0.00 0.00 0.00 46.02 45.02 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 -3.75 1.62 0.04 1.61 2.02 0.04 -0.39 117.35 118.54 1fa3 s TYR 58 Ca 0.00 -0.86 0.07 0.00 -0.37 0.00 0.00 57.07 55.90 1fa3 s TYR 58 Cb 0.00 -0.92 -0.02 0.00 -0.40 0.00 0.00 41.96 40.61 1fa3 s TYR 58 CO 0.00 0.04 -0.19 -2.00 -1.57 0.00 0.00 175.55 171.83 1fa3 s GLU 59 N -3.82 1.27 -0.04 -0.62 2.12 0.53 -0.71 118.70 117.43 1fa3 s GLU 59 Ca 0.28 -0.87 0.03 0.00 0.36 0.00 0.00 54.97 54.76 1fa3 s GLU 59 Cb 0.05 -1.35 0.01 0.00 0.26 0.00 0.00 34.13 33.10 1fa3 s GLU 59 CO 0.09 0.34 -0.11 0.71 -0.54 0.00 0.00 175.26 175.75 1fa3 s TYR 60 N -0.79 1.18 -0.18 5.30 1.51 0.63 -0.86 117.35 124.14 1fa3 s TYR 60 Ca 0.06 -0.34 -0.01 0.00 -1.01 0.00 0.00 57.07 55.76 1fa3 s TYR 60 Cb -0.08 -0.85 0.05 0.00 -0.11 0.00 0.00 41.96 40.97 1fa3 s TYR 60 CO 0.01 -0.16 -0.02 -1.14 -1.11 0.00 0.00 175.55 173.14 1fa3 s GLN 61 N 0.33 1.15 0.10 -0.62 0.74 0.11 -0.49 119.66 120.99 1fa3 s GLN 61 Ca -0.07 -0.55 -0.11 0.00 0.05 0.00 0.00 55.36 54.69 1fa3 s GLN 61 Cb -0.11 -2.11 0.01 0.00 1.10 0.00 0.00 33.01 31.90 1fa3 s GLN 61 CO 0.01 -0.53 0.24 -0.48 -0.55 0.00 0.00 175.29 173.98 1fa3 s LEU 62 N 1.68 1.16 -0.10 3.68 0.05 -0.04 -0.45 118.68 124.66 1fa3 s LEU 62 Ca -0.01 -0.57 -0.04 0.00 0.05 0.00 0.00 54.13 53.55 1fa3 s LEU 62 Cb -0.16 1.24 -0.04 0.00 -2.05 0.00 0.00 46.19 45.18 1fa3 s LEU 62 CO -0.07 -0.76 0.08 -0.31 -0.55 0.00 0.00 176.35 174.73 1fa3 s TYR 63 N -3.85 3.39 -0.06 3.48 1.51 -0.78 -0.50 117.35 120.55 1fa3 s TYR 63 Ca 0.05 0.36 0.04 0.00 -1.01 0.00 0.00 57.07 56.51 1fa3 s TYR 63 Cb 0.04 -1.86 0.00 0.00 -0.11 0.00 0.00 41.96 40.03 1fa3 s TYR 63 CO -0.11 0.61 -0.16 0.54 -1.11 0.00 0.00 175.55 175.31 1fa3 s VAL 64 N -0.98 1.41 -0.26 0.71 0.11 0.42 -2.59 120.40 119.23 1fa3 s VAL 64 Ca 0.15 -0.68 -0.25 0.00 -2.93 0.00 0.00 61.98 58.27 1fa3 s VAL 64 Cb -0.12 -1.23 -0.00 0.00 -1.53 0.00 0.00 36.38 33.50 1fa3 s VAL 64 CO 0.04 0.41 0.85 -0.31 -3.33 0.00 0.00 175.10 172.76 1fa3 s TYR 65 N 0.26 3.28 -0.04 1.54 2.02 0.92 -0.62 117.35 124.71 1fa3 s TYR 65 Ca -0.09 1.09 0.01 0.00 -0.37 0.00 0.00 57.07 57.71 1fa3 s TYR 65 Cb -0.14 -3.13 0.02 0.00 -0.40 0.00 0.00 41.96 38.31 1fa3 s TYR 65 CO 0.03 -0.46 -0.05 0.00 -1.57 0.00 0.00 175.55 173.50 1fa3 s ALA 66 N 2.93 0.69 -1.56 3.71 0.00 -0.14 -0.92 121.76 126.48 1fa3 s ALA 66 Ca 0.35 -0.08 -0.13 0.00 0.00 0.00 0.00 51.96 52.10 1fa3 s ALA 66 Cb -0.15 -0.40 0.09 0.00 0.00 0.00 0.00 23.12 22.67 1fa3 s ALA 66 CO 0.09 0.02 0.88 0.45 0.00 0.00 0.00 175.76 177.20 1fa3 n SER 67 N 3.92 -3.89 -3.40 0.00 2.88 0.13 -0.51 113.62 112.75 1fa3 n SER 67 Ca -0.25 -0.86 -0.24 0.00 -1.33 0.00 0.00 58.87 56.20 1fa3 n SER 67 Cb 0.51 -3.54 -0.01 0.00 -0.75 0.00 0.00 64.21 60.42 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 -3.68 -4.15 -3.46 2.03 -1.26 -4.98 116.55 98.23 1fa3 n ASP 68 Ca 0.01 -0.42 -0.23 0.00 0.52 0.00 0.00 54.79 54.67 1fa3 n ASP 68 Cb 0.54 -3.05 -0.15 0.00 -0.72 0.00 0.00 41.12 37.74 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 -6.05 1.21 -0.31 -0.67 1.02 0.34 -5.07 119.74 110.21 1fa3 s LYS 69 Ca 0.42 -0.66 -0.23 0.00 0.02 0.00 0.00 55.97 55.52 1fa3 s LYS 69 Cb -0.22 -1.20 -0.00 0.00 -0.52 0.00 0.00 37.83 35.89 1fa3 s LYS 69 CO 0.51 0.32 0.76 -1.17 -0.92 0.00 0.00 175.35 174.85 1fa3 s LEU 70 N -0.66 4.10 0.19 3.17 2.96 -1.22 -0.96 118.68 126.26 1fa3 s LEU 70 Ca 0.05 0.60 0.09 0.00 -0.22 0.00 0.00 54.13 54.65 1fa3 s LEU 70 Cb -0.07 -3.02 -0.04 0.00 0.50 0.00 0.00 46.19 43.56 1fa3 s LEU 70 CO 0.00 -0.60 -0.08 -0.36 -1.32 0.00 0.00 176.35 174.00 1fa3 s PHE 71 N 2.90 2.66 -0.09 5.38 0.40 0.21 -0.31 117.98 129.13 1fa3 s PHE 71 Ca 0.31 -0.21 -0.01 0.00 -0.60 0.00 0.00 56.93 56.42 1fa3 s PHE 71 Cb -0.14 -1.28 -0.03 0.00 0.51 0.00 0.00 43.02 42.08 1fa3 s PHE 71 CO 0.13 0.53 -0.04 0.50 0.70 0.00 0.00 175.22 177.04 1fa3 s ARG 72 N -2.94 2.98 -0.02 0.44 3.00 0.33 -0.43 118.95 122.30 1fa3 s ARG 72 Ca 0.26 -0.49 0.02 0.00 -1.00 0.00 0.00 55.73 54.52 1fa3 s ARG 72 Cb -0.08 -2.72 -0.00 0.00 0.00 0.00 0.00 34.95 32.15 1fa3 s ARG 72 CO 0.16 0.62 -0.08 0.00 0.00 0.00 0.00 175.30 175.99 1fa3 s ALA 73 N -0.66 0.76 -0.24 6.12 0.00 0.35 -0.31 121.76 127.78 1fa3 s ALA 73 Ca 0.10 -0.33 -0.03 0.00 0.00 0.00 0.00 51.96 51.70 1fa3 s ALA 73 Cb -0.12 -0.25 0.01 0.00 0.00 0.00 0.00 23.12 22.77 1fa3 s ALA 73 CO 0.02 0.15 -0.05 0.34 0.00 0.00 0.00 175.76 176.22 1fa3 s ASP 74 N 0.01 4.30 0.18 0.00 2.15 0.41 -0.86 116.67 122.86 1fa3 s ASP 74 Ca -0.00 -0.71 0.07 0.00 0.43 0.00 0.00 52.55 52.33 1fa3 s ASP 74 Cb -0.06 -1.69 -0.04 0.00 -0.30 0.00 0.00 42.92 40.83 1fa3 s ASP 74 CO -0.00 -0.10 0.05 -0.63 -0.17 0.00 0.00 175.17 174.32 1fa3 s ILE 75 N 1.38 3.96 0.24 4.11 -1.09 0.36 -0.27 121.20 129.88 1fa3 s ILE 75 Ca 0.02 -1.34 0.05 0.00 -2.23 0.00 0.00 60.65 57.15 1fa3 s ILE 75 Cb -0.16 -3.01 -0.05 0.00 -1.58 0.00 0.00 42.46 37.66 1fa3 s ILE 75 CO -0.04 -0.13 -0.04 -0.44 -1.23 0.00 0.00 174.94 173.06 1fa3 s SER 76 N -3.05 2.23 -0.03 3.58 0.01 0.52 -0.27 113.70 116.69 1fa3 s SER 76 Ca 0.29 -1.18 0.07 0.00 1.31 0.00 0.00 55.95 56.44 1fa3 s SER 76 Cb -0.09 -0.07 -0.02 0.00 0.21 0.00 0.00 66.02 66.05 1fa3 s SER 76 CO 0.20 -0.42 -0.25 -0.70 0.41 0.00 0.00 173.24 172.48 1fa3 s GLU 77 N -3.79 2.24 -0.30 12.44 -6.30 0.12 -0.71 118.70 122.39 1fa3 s GLU 77 Ca 0.28 -0.91 -0.07 0.00 -2.50 0.00 0.00 54.97 51.76 1fa3 s GLU 77 Cb 0.04 -2.09 0.01 0.00 0.00 0.00 0.00 34.13 32.09 1fa3 s GLU 77 CO 0.09 0.52 0.09 -0.51 0.02 0.00 0.00 175.26 175.47 1fa3 s ASP 78 N -0.51 5.17 0.37 -1.70 1.11 0.53 -0.78 116.67 120.87 1fa3 s ASP 78 Ca 0.07 -0.72 0.07 0.00 0.18 0.00 0.00 52.55 52.16 1fa3 s ASP 78 Cb -0.11 -1.89 0.79 0.00 1.07 0.00 0.00 42.92 42.78 1fa3 s ASP 78 CO 0.00 -0.20 1.93 0.22 1.18 0.00 0.00 175.17 178.31 1fa3 h TYR 79 N 8.24 0.75 -0.23 4.23 3.20 -1.22 0.37 116.97 132.32 1fa3 h TYR 79 Ca -0.31 0.02 0.07 0.00 3.14 0.00 0.00 58.73 61.65 1fa3 h TYR 79 Cb 1.13 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 39.14 1fa3 h TYR 79 CO 0.61 0.36 0.37 0.87 -1.64 0.00 0.00 178.16 178.73 1fa3 h LYS 80 N 0.71 0.00 0.00 1.82 1.57 -1.95 -2.00 116.57 116.71 1fa3 h LYS 80 Ca 0.35 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 1fa3 h LYS 80 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1fa3 h LYS 80 CO -0.13 0.00 -0.23 2.41 -0.57 0.00 0.00 179.45 180.94 1fa3 n THR 81 N -3.42 0.00 -2.88 -0.16 -1.04 -0.96 -4.98 114.28 100.84 1fa3 n THR 81 Ca 0.03 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 61.89 1fa3 n THR 81 Cb 0.49 0.62 -0.01 0.00 -1.82 0.00 0.00 70.33 69.61 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 -2.77 -3.45 -2.82 0.63 0.06 -4.92 116.66 103.39 1fa3 n ARG 82 Ca 0.00 0.42 -0.37 0.00 -0.92 0.00 0.00 57.85 56.98 1fa3 n ARG 82 Cb 0.59 -5.04 -0.07 0.00 0.45 0.00 0.00 32.46 28.39 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 -2.33 2.26 0.36 5.14 0.00 -0.82 -4.78 107.32 107.15 1fa3 s GLY 83 Ca 0.18 -0.37 0.07 0.00 0.00 0.00 0.00 44.72 44.60 1fa3 s GLY 83 CO 0.22 0.57 0.49 0.50 0.00 0.00 0.00 173.10 174.89 1fa3 s ARG 84 N 0.59 3.02 -0.28 2.90 0.52 -1.26 -0.34 118.95 124.10 1fa3 s ARG 84 Ca 0.20 -1.09 -0.25 0.00 -0.52 0.00 0.00 55.73 54.07 1fa3 s ARG 84 Cb -0.14 -2.79 0.10 0.00 0.52 0.00 0.00 34.95 32.64 1fa3 s ARG 84 CO 0.06 -0.03 0.93 -1.59 0.02 0.00 0.00 175.30 174.69 1fa3 s LYS 85 N -4.22 0.62 0.02 3.54 -2.85 0.11 -4.97 119.74 111.99 1fa3 s LYS 85 Ca 0.48 0.73 -0.30 0.00 -1.00 0.00 0.00 55.97 55.87 1fa3 s LYS 85 Cb -0.10 0.30 -0.08 0.00 -2.06 0.00 0.00 37.83 35.90 1fa3 s LYS 85 CO 0.32 -0.07 1.75 -1.17 0.10 0.00 0.00 175.35 176.27 1fa3 s LEU 86 N 0.27 4.37 -0.12 2.77 2.96 -1.26 -0.35 118.68 127.31 1fa3 s LEU 86 Ca 0.02 2.46 -0.05 0.00 -0.22 0.00 0.00 54.13 56.34 1fa3 s LEU 86 Cb -0.05 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 43.08 1fa3 s LEU 86 CO -0.04 -0.96 -0.10 -0.07 -1.32 0.00 0.00 176.35 173.87 1fa3 h LEU 87 N 9.78 0.00 -7.83 -0.68 3.38 -0.94 -3.47 115.31 115.55 1fa3 h LEU 87 Ca -0.44 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.42 1fa3 h LEU 87 Cb 1.20 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.78 1fa3 h LEU 87 CO 0.94 0.63 -0.47 -0.13 0.09 0.00 0.00 178.44 179.50 1fa3 s ARG 88 N -1.91 0.64 0.07 1.13 3.00 -0.75 -5.02 118.95 116.11 1fa3 s ARG 88 Ca -0.08 -0.71 0.05 0.00 0.00 0.00 0.00 55.73 54.99 1fa3 s ARG 88 Cb 0.01 0.26 -0.03 0.00 0.00 0.00 0.00 34.95 35.19 1fa3 s ARG 88 CO 0.12 -0.17 -0.13 0.12 0.00 0.00 0.00 175.30 175.23 1fa3 s PHE 89 N -2.62 1.16 0.19 -0.53 2.19 -1.26 -0.44 117.98 116.65 1fa3 s PHE 89 Ca -0.05 -0.48 -0.18 0.00 0.33 0.00 0.00 56.93 56.55 1fa3 s PHE 89 Cb -0.01 -0.65 0.03 0.00 -1.31 0.00 0.00 43.02 41.08 1fa3 s PHE 89 CO -0.04 0.04 0.52 1.21 1.83 0.00 0.00 175.22 178.78 1fa3 s ASN 90 N -1.79 -0.29 0.00 6.13 3.84 0.58 -4.99 114.94 118.43 1fa3 s ASN 90 Ca -0.02 -0.42 0.00 0.00 0.21 0.00 0.00 52.86 52.63 1fa3 s ASN 90 Cb -0.09 0.57 0.00 0.00 -0.55 0.00 0.00 41.25 41.18 1fa3 s ASN 90 CO 0.02 -1.03 0.00 0.61 -2.79 0.00 0.00 177.10 173.91 1fa3 n GLY 91 N -0.34 -0.48 3.75 1.21 0.00 -1.26 -0.51 105.19 107.56 1fa3 n GLY 91 Ca -0.11 -2.19 -0.31 0.00 0.00 0.00 0.00 46.02 43.41 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 0.00 1.97 0.09 1.61 0.04 -1.26 -5.01 135.00 132.44 1fa3 s PRO 92 Ca 0.00 1.23 0.08 0.00 0.04 0.00 0.00 61.00 62.34 1fa3 s PRO 92 Cb 0.00 -1.86 -0.03 0.00 0.04 0.00 0.00 34.50 32.65 1fa3 s PRO 92 CO 0.00 -1.86 -0.20 0.14 0.04 0.00 0.00 177.00 175.12 1fa3 s VAL 93 N -2.86 1.59 0.69 -0.36 -7.23 0.57 -4.99 120.40 107.82 1fa3 s VAL 93 Ca 0.62 -1.46 -0.14 0.00 -1.81 0.00 0.00 61.98 59.20 1fa3 s VAL 93 Cb -0.18 -1.45 0.02 0.00 0.56 0.00 0.00 36.38 35.32 1fa3 s VAL 93 CO 0.56 -0.06 1.10 -2.16 -0.31 0.00 0.00 175.10 174.24 1fa3 s PRO 94 N -1.79 2.65 0.67 4.82 0.04 -1.26 -3.40 135.00 136.73 1fa3 s PRO 94 Ca 0.05 1.32 -0.15 0.00 0.04 0.00 0.00 61.00 62.26 1fa3 s PRO 94 Cb -0.10 -1.94 0.01 0.00 0.04 0.00 0.00 34.50 32.51 1fa3 s PRO 94 CO 0.04 -1.36 1.14 -1.25 0.04 0.00 0.00 177.00 175.61 1fa3 s PRO 95 N -4.33 2.63 0.00 0.56 0.04 -1.26 -4.96 135.00 127.68 1fa3 s PRO 95 Ca 0.65 1.52 0.11 0.00 0.04 0.00 0.00 61.00 63.32 1fa3 s PRO 95 Cb -0.19 -1.92 0.66 0.00 0.04 0.00 0.00 34.50 33.08 1fa3 s PRO 95 CO 0.46 -1.41 1.09 -0.35 0.04 0.00 0.00 177.00 176.83