#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fgx h ASN 2 N 0.00 0.00 0.00 6.12 -0.73 -2.12 -3.50 115.58 115.35 2fgx h ASN 2 Ca 0.00 -0.51 0.00 0.00 1.87 0.00 0.00 56.30 57.66 2fgx h ASN 2 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.59 2fgx h ASN 2 CO 0.00 0.82 0.00 -3.20 -0.37 0.00 0.00 177.43 174.68 2fgx n ASN 3 N -4.67 0.00 0.00 1.15 5.15 -1.26 -5.05 115.26 110.58 2fgx n ASN 3 Ca -0.07 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.91 2fgx n ASN 3 Cb 0.29 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.54 2fgx n ASN 3 CO 0.00 0.00 0.00 1.67 1.40 0.00 0.00 177.26 180.33 2fgx n GLN 4 N 0.00 0.00 -3.27 1.20 7.27 -1.26 -5.18 117.38 116.15 2fgx n GLN 4 Ca 0.00 0.00 -0.22 0.00 0.07 0.00 0.00 57.00 56.85 2fgx n GLN 4 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 2fgx n GLN 4 CO 0.00 0.00 0.00 0.14 0.07 0.00 0.00 177.06 177.27 2fgx s VAL 5 N 0.00 4.34 0.12 1.69 -7.23 -1.26 -5.12 120.40 112.94 2fgx s VAL 5 Ca 0.00 -0.66 0.04 0.00 -1.81 0.00 0.00 61.98 59.55 2fgx s VAL 5 Cb 0.00 -3.57 -0.04 0.00 0.56 0.00 0.00 36.38 33.33 2fgx s VAL 5 CO 0.00 -0.33 -0.09 -1.61 -0.31 0.00 0.00 175.10 172.75 2fgx s GLU 6 N -4.37 0.95 0.85 4.82 2.02 -1.26 -5.14 118.70 116.58 2fgx s GLU 6 Ca 0.45 -1.34 -0.11 0.00 0.02 0.00 0.00 54.97 53.99 2fgx s GLU 6 Cb -0.10 -0.51 0.11 0.00 0.10 0.00 0.00 34.13 33.73 2fgx s GLU 6 CO 0.35 0.06 1.15 -1.25 0.02 0.00 0.00 175.26 175.59 2fgx s PRO 7 N -3.47 1.46 0.00 0.39 0.04 -1.26 -5.06 135.00 127.11 2fgx s PRO 7 Ca 0.12 1.54 0.00 0.00 0.04 0.00 0.00 61.00 62.70 2fgx s PRO 7 Cb 0.01 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.78 2fgx s PRO 7 CO -0.01 -2.30 0.00 0.54 0.04 0.00 0.00 177.00 175.27 2fgx n ARG 8 N -3.78 2.07 -3.70 4.56 5.12 -0.80 -4.98 116.66 115.15 2fgx n ARG 8 Ca 0.12 0.00 -0.11 0.00 -1.93 0.00 0.00 57.85 55.93 2fgx n ARG 8 Cb 0.52 0.00 -0.12 0.00 -1.16 0.00 0.00 32.46 31.70 2fgx n ARG 8 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 2fgx s LYS 9 N 0.74 0.32 -0.05 5.56 2.36 -1.13 -3.53 119.74 124.01 2fgx s LYS 9 Ca 0.00 0.72 0.05 0.00 -2.55 0.00 0.00 55.97 54.19 2fgx s LYS 9 Cb 0.00 -0.03 -0.02 0.00 -1.05 0.00 0.00 37.83 36.72 2fgx s LYS 9 CO 0.00 -0.17 -0.19 -0.51 1.55 0.00 0.00 175.35 176.02 2fgx s LEU 10 N 1.49 2.43 -0.04 5.43 1.43 0.10 0.01 118.68 129.53 2fgx s LEU 10 Ca -0.08 -0.33 0.05 0.00 -1.03 0.00 0.00 54.13 52.73 2fgx s LEU 10 Cb -0.09 -1.47 -0.01 0.00 0.03 0.00 0.00 46.19 44.65 2fgx s LEU 10 CO -0.11 0.31 -0.20 -0.69 0.23 0.00 0.00 176.35 175.89 2fgx s VAL 11 N -0.54 1.60 -0.23 -1.59 1.01 -0.10 -1.60 120.40 118.94 2fgx s VAL 11 Ca 0.07 -0.83 -0.06 0.00 0.00 0.00 0.00 61.98 61.17 2fgx s VAL 11 Cb -0.11 -1.36 -0.02 0.00 0.00 0.00 0.00 36.38 34.89 2fgx s VAL 11 CO 0.01 0.46 0.02 -0.69 0.00 0.00 0.00 175.10 174.90 2fgx s VAL 12 N -0.13 3.96 -0.78 2.92 1.01 -0.50 0.60 120.40 127.48 2fgx s VAL 12 Ca -0.01 -0.29 -0.24 0.00 0.00 0.00 0.00 61.98 61.43 2fgx s VAL 12 Cb -0.11 -2.83 0.06 0.00 0.00 0.00 0.00 36.38 33.49 2fgx s VAL 12 CO 0.02 0.38 1.20 -0.31 0.00 0.00 0.00 175.10 176.38 2fgx s TYR 13 N 1.51 2.52 0.27 5.22 2.02 -0.92 -2.07 117.35 125.90 2fgx s TYR 13 Ca 0.06 -0.46 0.02 0.00 -0.37 0.00 0.00 57.07 56.32 2fgx s TYR 13 Cb -0.15 -4.50 -0.01 0.00 -0.40 0.00 0.00 41.96 36.90 2fgx s TYR 13 CO 0.01 -1.87 0.09 0.41 -1.57 0.00 0.00 175.55 172.62 2fgx n GLY 14 N 5.62 3.56 3.57 0.71 0.00 -0.67 -4.23 105.19 113.74 2fgx n GLY 14 Ca 0.08 -2.06 -0.05 0.00 0.00 0.00 0.00 46.02 43.99 2fgx n GLY 14 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2fgx s ARG 15 N -3.01 0.59 2.68 1.61 1.70 -1.26 -0.57 118.95 120.69 2fgx s ARG 15 Ca 0.13 1.24 0.00 0.00 -0.47 0.00 0.00 55.73 56.63 2fgx s ARG 15 Cb 0.01 0.40 0.00 0.00 -0.57 0.00 0.00 34.95 34.79 2fgx s ARG 15 CO 0.09 -0.18 0.00 0.39 -1.08 0.00 0.00 175.30 174.52 2fgx n GLU 16 N 4.82 0.00 -3.89 3.89 1.02 -1.26 -4.74 120.64 120.49 2fgx n GLU 16 Ca -0.16 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.64 2fgx n GLU 16 Cb 0.54 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.91 2fgx n GLU 16 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2fgx s GLY 17 N -2.29 2.18 -0.17 0.62 0.00 -1.26 -5.10 107.32 101.30 2fgx s GLY 17 Ca 0.00 -0.73 -0.22 0.00 0.00 0.00 0.00 44.72 43.77 2fgx s GLY 17 CO 0.00 -0.60 0.58 0.00 0.00 0.00 0.00 173.10 173.08 2fgx h HIS 19 N 4.68 0.15 -0.30 0.00 3.86 -2.00 -2.30 115.15 119.24 2fgx h HIS 19 Ca -0.28 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 58.86 2fgx h HIS 19 Cb 1.16 -0.05 -0.02 0.00 1.06 0.00 0.00 27.41 29.57 2fgx h HIS 19 CO 0.40 0.11 -0.12 1.25 0.86 0.00 0.00 177.93 180.44 2fgx h LEU 20 N 0.15 0.50 -0.67 2.43 7.12 -1.99 -1.78 115.31 121.07 2fgx h LEU 20 Ca 0.04 -0.13 -0.07 0.00 0.13 0.00 0.00 57.88 57.86 2fgx h LEU 20 Cb 0.00 -0.13 -0.03 0.00 -0.53 0.00 0.00 40.66 39.97 2fgx h LEU 20 CO -0.01 0.66 0.15 0.00 -0.13 0.00 0.00 178.44 179.11 2fgx h GLU 22 N 1.00 1.19 -0.45 0.00 4.39 -0.84 -0.60 114.58 119.27 2fgx h GLU 22 Ca 0.21 -0.15 -0.06 0.00 0.34 0.00 0.00 59.36 59.69 2fgx h GLU 22 Cb 0.38 -0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 28.78 2fgx h GLU 22 CO 0.00 0.89 0.02 0.93 -1.16 0.00 0.00 179.01 179.69 2fgx h GLU 23 N 1.18 0.73 -0.29 2.33 5.08 -0.84 -1.22 114.58 121.56 2fgx h GLU 23 Ca 0.29 -0.18 -0.06 0.00 -1.00 0.00 0.00 59.36 58.41 2fgx h GLU 23 Cb 0.07 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 2fgx h GLU 23 CO -0.04 0.73 -0.06 0.52 -1.00 0.00 0.00 179.01 179.16 2fgx h MET 24 N 0.69 0.56 -0.39 2.33 2.86 -0.58 -1.73 114.93 118.67 2fgx h MET 24 Ca 0.14 -0.21 0.05 0.00 -2.06 0.00 0.00 59.70 57.62 2fgx h MET 24 Cb 0.40 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 31.99 2fgx h MET 24 CO 0.01 0.75 0.14 0.82 1.06 0.00 0.00 176.91 179.69 2fgx h ILE 25 N 0.32 0.89 -0.74 -1.22 2.04 -0.78 0.51 117.51 118.53 2fgx h ILE 25 Ca 0.07 -0.10 0.04 0.00 1.00 0.00 0.00 64.86 65.87 2fgx h ILE 25 Cb 0.54 0.56 -0.05 0.00 -0.74 0.00 0.00 36.82 37.13 2fgx h ILE 25 CO 0.03 0.05 0.46 0.00 0.00 0.00 0.00 178.15 178.69 2fgx h ALA 26 N 1.25 0.97 -0.54 1.87 0.00 -1.17 0.55 119.26 122.19 2fgx h ALA 26 Ca 0.18 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 2fgx h ALA 26 Cb 0.16 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2fgx h ALA 26 CO -0.18 0.23 0.11 0.77 0.00 0.00 0.00 179.25 180.18 2fgx h SER 27 N 0.89 0.83 -0.46 0.00 0.02 -0.45 -2.48 113.55 111.89 2fgx h SER 27 Ca 0.30 -0.25 0.01 0.00 -0.84 0.00 0.00 61.79 61.02 2fgx h SER 27 Cb 0.05 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.34 2fgx h SER 27 CO -0.12 0.87 0.29 -0.07 -1.14 0.00 0.00 176.83 176.65 2fgx h LEU 28 N 0.76 0.48 -0.77 5.07 3.38 0.71 -1.39 115.31 123.55 2fgx h LEU 28 Ca 0.17 -0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.18 2fgx h LEU 28 Cb 0.37 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.96 2fgx h LEU 28 CO 0.01 0.34 0.48 0.03 0.09 0.00 0.00 178.44 179.39 2fgx h ARG 29 N 0.58 0.87 -0.34 1.13 2.47 -0.75 0.60 114.38 118.94 2fgx h ARG 29 Ca 0.18 -0.05 -0.03 0.00 -1.26 0.00 0.00 59.98 58.82 2fgx h ARG 29 Cb -0.02 -0.20 -0.01 0.00 -1.65 0.00 0.00 29.97 28.09 2fgx h ARG 29 CO -0.07 0.58 0.09 0.28 0.56 0.00 0.00 179.97 181.41 2fgx h VAL 30 N 0.90 1.21 -0.06 2.04 2.07 -0.98 -2.63 116.25 118.80 2fgx h VAL 30 Ca 0.33 -0.71 -0.16 0.00 0.82 0.00 0.00 66.70 66.98 2fgx h VAL 30 Cb 0.11 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 2fgx h VAL 30 CO -0.15 0.24 -0.67 0.25 0.02 0.00 0.00 177.57 177.26 2fgx h LEU 31 N 0.39 0.29 -2.00 2.57 6.46 -0.84 -3.00 115.31 119.17 2fgx h LEU 31 Ca 0.11 -0.18 -0.02 0.00 -0.12 0.00 0.00 57.88 57.67 2fgx h LEU 31 Cb 0.27 -0.08 -0.00 0.00 -0.73 0.00 0.00 40.66 40.12 2fgx h LEU 31 CO -0.00 0.87 -0.09 -0.61 -0.62 0.00 0.00 178.44 177.99 2fgx h GLN 32 N 0.17 0.00 -0.60 1.25 4.15 0.37 0.16 115.11 120.61 2fgx h GLN 32 Ca -0.02 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.37 2fgx h GLN 32 Cb 1.21 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.87 2fgx h GLN 32 CO 0.10 0.09 0.23 0.87 -1.93 0.00 0.00 178.83 178.20 2fgx h LYS 33 N 0.00 0.90 0.15 1.69 1.57 -1.32 -3.25 116.57 116.31 2fgx h LYS 33 Ca -0.00 -0.17 -0.29 0.00 -1.87 0.00 0.00 60.65 58.32 2fgx h LYS 33 Cb 0.21 -0.14 0.02 0.00 0.08 0.00 0.00 32.23 32.40 2fgx h LYS 33 CO 0.01 0.77 -1.28 0.87 -0.57 0.00 0.00 179.45 179.25 2fgx h LYS 34 N 0.83 0.45 -3.01 3.15 1.57 -0.98 -3.44 116.57 115.14 2fgx h LYS 34 Ca 0.20 -0.68 -0.23 0.00 -1.87 0.00 0.00 60.65 58.07 2fgx h LYS 34 Cb 0.22 0.24 -0.32 0.00 0.08 0.00 0.00 32.23 32.45 2fgx h LYS 34 CO -0.01 1.31 -0.54 -1.12 -0.57 0.00 0.00 179.45 178.51 2fgx s SER 35 N -7.34 0.16 -0.25 0.86 0.01 0.32 -5.13 113.70 102.33 2fgx s SER 35 Ca -0.07 0.48 -0.26 0.00 1.31 0.00 0.00 55.95 57.42 2fgx s SER 35 Cb 0.06 0.45 0.00 0.00 0.21 0.00 0.00 66.02 66.75 2fgx s SER 35 CO 0.91 -0.20 0.89 0.86 0.41 0.00 0.00 173.24 176.11 2fgx s TRP 36 N 1.84 3.30 -0.06 2.43 -0.11 -1.24 -3.88 118.94 121.23 2fgx s TRP 36 Ca -0.03 1.18 0.09 0.00 1.22 0.00 0.00 56.10 58.56 2fgx s TRP 36 Cb -0.11 -3.16 0.15 0.00 -1.50 0.00 0.00 33.47 28.85 2fgx s TRP 36 CO -0.08 -0.46 1.08 1.97 -4.62 0.00 0.00 176.95 174.84 2fgx n PHE 37 N 6.15 0.00 -1.79 5.86 1.16 -1.26 -1.90 117.46 125.69 2fgx n PHE 37 Ca 0.07 -0.48 0.09 0.00 -1.87 0.00 0.00 57.45 55.26 2fgx n PHE 37 Cb 0.47 -0.10 -0.02 0.00 -1.61 0.00 0.00 39.48 38.22 2fgx n PHE 37 CO 0.00 0.00 0.00 0.39 -1.87 0.00 0.00 176.76 175.28 2fgx n GLU 38 N -0.62 -1.40 -3.71 3.97 1.02 -1.23 0.02 120.64 118.69 2fgx n GLU 38 Ca 0.08 0.92 -0.12 0.00 -0.02 0.00 0.00 57.16 58.02 2fgx n GLU 38 Cb 0.69 -1.70 -0.10 0.00 -0.02 0.00 0.00 31.44 30.31 2fgx n GLU 38 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2fgx s LEU 39 N 0.00 0.08 0.01 -4.62 2.96 -1.26 -4.21 118.68 111.64 2fgx s LEU 39 Ca 0.00 0.91 0.02 0.00 -0.22 0.00 0.00 54.13 54.84 2fgx s LEU 39 Cb 0.00 1.46 -0.01 0.00 0.50 0.00 0.00 46.19 48.15 2fgx s LEU 39 CO 0.00 -0.18 -0.05 -0.70 -1.32 0.00 0.00 176.35 174.10 2fgx s GLU 40 N 0.84 0.40 -0.26 1.98 2.56 -0.63 -4.98 118.70 118.61 2fgx s GLU 40 Ca -0.05 -0.33 0.01 0.00 0.00 0.00 0.00 54.97 54.60 2fgx s GLU 40 Cb -0.06 -0.31 0.07 0.00 2.00 0.00 0.00 34.13 35.83 2fgx s GLU 40 CO -0.07 0.08 -0.02 0.08 -0.56 0.00 0.00 175.26 174.77 2fgx s VAL 41 N -0.49 1.54 -0.28 3.70 1.01 -1.26 -1.41 120.40 123.20 2fgx s VAL 41 Ca -0.02 -1.39 -0.07 0.00 0.00 0.00 0.00 61.98 60.50 2fgx s VAL 41 Cb -0.04 -1.90 -0.00 0.00 0.00 0.00 0.00 36.38 34.44 2fgx s VAL 41 CO -0.00 -0.24 0.07 -0.63 0.00 0.00 0.00 175.10 174.30 2fgx s ILE 42 N 1.36 4.04 -0.51 2.22 1.01 -0.88 -5.00 121.20 123.43 2fgx s ILE 42 Ca -0.02 -0.56 -0.28 0.00 0.00 0.00 0.00 60.65 59.80 2fgx s ILE 42 Cb -0.19 -3.03 0.01 0.00 0.01 0.00 0.00 42.46 39.27 2fgx s ILE 42 CO -0.09 0.15 1.41 0.20 0.00 0.00 0.00 174.94 176.62 2fgx s ASN 43 N 1.53 6.19 0.00 3.58 -0.87 -1.25 -1.67 114.94 122.45 2fgx s ASN 43 Ca 0.04 0.46 0.29 0.00 -1.57 0.00 0.00 52.86 52.07 2fgx s ASN 43 Cb -0.17 -2.54 1.24 0.00 -0.02 0.00 0.00 41.25 39.76 2fgx s ASN 43 CO 0.03 -1.62 1.93 2.30 -2.57 0.00 0.00 177.10 177.16 2fgx n ILE 44 N 6.94 0.00 -0.31 0.60 -5.35 0.27 -4.01 119.36 117.50 2fgx n ILE 44 Ca 0.14 -0.00 0.15 0.00 -0.27 0.00 0.00 62.75 62.76 2fgx n ILE 44 Cb 0.49 -0.49 0.33 0.00 -1.74 0.00 0.00 39.64 38.23 2fgx n ILE 44 CO 0.00 0.00 0.00 -0.78 -1.76 0.00 0.00 176.55 174.01 2fgx h ASP 45 N 0.00 0.36 -0.46 7.28 3.58 -1.89 0.10 116.42 125.39 2fgx h ASP 45 Ca 0.00 0.16 -0.04 0.00 0.42 0.00 0.00 57.03 57.57 2fgx h ASP 45 Cb 0.49 0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.65 2fgx h ASP 45 CO 0.00 -0.01 0.05 0.61 -2.88 0.00 0.00 179.24 177.01 2fgx n GLY 46 N -1.33 2.75 2.90 -0.78 0.00 -1.26 -4.81 105.19 102.66 2fgx n GLY 46 Ca 0.23 -0.71 -0.27 0.00 0.00 0.00 0.00 46.02 45.28 2fgx n GLY 46 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2fgx s ASN 47 N -0.59 2.21 0.50 1.61 3.84 0.36 -5.01 114.94 117.86 2fgx s ASN 47 Ca 0.41 -0.32 0.29 0.00 0.21 0.00 0.00 52.86 53.45 2fgx s ASN 47 Cb 0.32 -0.83 1.00 0.00 -0.55 0.00 0.00 41.25 41.19 2fgx s ASN 47 CO 0.12 -0.13 1.85 -0.33 -2.79 0.00 0.00 177.10 175.82 2fgx h GLU 48 N 8.18 0.00 0.06 0.43 5.08 -1.87 -1.59 114.58 124.86 2fgx h GLU 48 Ca -0.29 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.07 2fgx h GLU 48 Cb 1.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.38 2fgx h GLU 48 CO 0.40 0.04 -0.03 0.45 -1.00 0.00 0.00 179.01 178.88 2fgx h HIS 49 N 0.00 -0.07 -0.65 4.33 3.86 -1.95 -3.04 115.15 117.62 2fgx h HIS 49 Ca -0.00 -0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.12 2fgx h HIS 49 Cb 0.69 0.02 -0.03 0.00 1.06 0.00 0.00 27.41 29.16 2fgx h HIS 49 CO 0.00 0.42 0.08 -0.07 0.86 0.00 0.00 177.93 179.22 2fgx h LEU 50 N -0.96 1.05 -0.96 2.43 3.38 -1.85 -1.79 115.31 116.62 2fgx h LEU 50 Ca -0.01 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.68 2fgx h LEU 50 Cb 0.52 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 2fgx h LEU 50 CO 0.01 1.06 0.49 0.74 0.09 0.00 0.00 178.44 180.83 2fgx h THR 51 N 1.02 1.25 -0.09 0.22 2.02 -1.43 0.52 112.91 116.42 2fgx h THR 51 Ca 0.20 -0.62 -0.07 0.00 0.77 0.00 0.00 66.41 66.69 2fgx h THR 51 Cb 0.47 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.92 2fgx h THR 51 CO 0.02 0.28 -0.26 0.03 0.37 0.00 0.00 175.52 175.96 2fgx h ARG 52 N 1.23 0.16 0.00 6.66 2.47 -1.28 -1.00 114.38 122.61 2fgx h ARG 52 Ca 0.31 -0.05 -0.05 0.00 -1.26 0.00 0.00 59.98 58.93 2fgx h ARG 52 Cb 0.02 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.31 2fgx h ARG 52 CO -0.05 0.42 -0.39 -0.07 0.56 0.00 0.00 179.97 180.43 2fgx h LEU 53 N 0.15 0.00 -3.29 3.04 3.38 -0.78 -3.42 115.31 114.40 2fgx h LEU 53 Ca 0.02 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.66 2fgx h LEU 53 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 2fgx h LEU 53 CO 0.04 0.89 0.00 -1.22 0.09 0.00 0.00 178.44 178.23 2fgx n TYR 54 N -4.63 1.09 -0.14 1.13 4.01 0.18 -4.60 117.16 114.20 2fgx n TYR 54 Ca -0.11 -0.84 -0.04 0.00 -0.16 0.00 0.00 57.90 56.75 2fgx n TYR 54 Cb 0.32 -0.33 0.05 0.00 -0.31 0.00 0.00 39.34 39.07 2fgx n TYR 54 CO 0.00 0.00 0.00 -0.97 -0.46 0.00 0.00 176.86 175.43 2fgx h ASN 55 N 2.14 0.06 1.58 7.72 -1.24 -1.31 -1.49 115.58 123.04 2fgx h ASN 55 Ca 0.00 0.07 0.00 0.00 0.71 0.00 0.00 56.30 57.08 2fgx h ASN 55 Cb 1.49 0.08 0.00 0.00 0.73 0.00 0.00 38.32 40.63 2fgx h ASN 55 CO 0.25 0.06 0.00 -2.24 -1.29 0.00 0.00 177.43 174.22 2fgx h ASP 56 N 0.26 0.00 -2.33 1.15 3.04 -1.84 -3.37 116.42 113.33 2fgx h ASP 56 Ca 0.22 0.00 -0.59 0.00 -3.24 0.00 0.00 57.03 53.42 2fgx h ASP 56 Cb 0.26 0.00 -0.41 0.00 -1.04 0.00 0.00 39.33 38.14 2fgx h ASP 56 CO -0.26 0.00 -0.78 -2.11 -2.04 0.00 0.00 179.24 174.04 2fgx n ARG 57 N -2.71 1.58 0.07 4.15 1.85 -0.58 -4.87 116.66 116.14 2fgx n ARG 57 Ca 0.04 -4.04 0.06 0.00 -1.00 0.00 0.00 57.85 52.92 2fgx n ARG 57 Cb 0.44 -1.89 -0.04 0.00 -1.05 0.00 0.00 32.46 29.91 2fgx n ARG 57 CO 0.00 0.00 0.00 1.33 -0.01 0.00 0.00 177.63 178.95 2fgx n VAL 58 N 1.48 0.85 -0.92 8.89 0.24 -1.08 -3.76 118.33 124.04 2fgx n VAL 58 Ca 0.26 -0.61 -0.11 0.00 -2.04 0.00 0.00 64.34 61.84 2fgx n VAL 58 Cb 0.44 -0.50 -0.15 0.00 -1.47 0.00 0.00 33.84 32.16 2fgx n VAL 58 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 2fgx n PRO 59 N -2.75 1.84 -3.97 7.34 -0.02 -1.26 -3.82 135.00 132.35 2fgx n PRO 59 Ca -0.05 -0.89 -0.35 0.00 -2.02 0.00 0.00 63.50 60.20 2fgx n PRO 59 Cb 0.68 -1.91 -0.09 0.00 -0.02 0.00 0.00 33.50 32.16 2fgx n PRO 59 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2fgx s VAL 60 N 1.03 4.92 -0.25 -1.45 1.01 -1.25 0.41 120.40 124.83 2fgx s VAL 60 Ca 0.59 0.01 -0.06 0.00 0.00 0.00 0.00 61.98 62.53 2fgx s VAL 60 Cb 0.28 -3.21 -0.01 0.00 0.00 0.00 0.00 36.38 33.45 2fgx s VAL 60 CO 0.00 0.48 0.02 -0.22 0.00 0.00 0.00 175.10 175.38 2fgx s LEU 61 N 0.17 3.28 -0.11 3.92 1.98 0.23 -2.16 118.68 125.99 2fgx s LEU 61 Ca 0.05 -0.41 -0.03 0.00 -2.89 0.00 0.00 54.13 50.86 2fgx s LEU 61 Cb -0.12 -1.83 -0.03 0.00 0.66 0.00 0.00 46.19 44.87 2fgx s LEU 61 CO 0.00 -0.06 0.01 0.12 -1.89 0.00 0.00 176.35 174.53 2fgx s PHE 62 N 1.53 3.16 -0.41 5.38 5.36 0.20 -1.04 117.98 132.16 2fgx s PHE 62 Ca 0.05 0.10 -0.19 0.00 -0.96 0.00 0.00 56.93 55.93 2fgx s PHE 62 Cb -0.15 -1.86 0.02 0.00 -0.34 0.00 0.00 43.02 40.68 2fgx s PHE 62 CO 0.00 0.34 0.52 0.00 -1.46 0.00 0.00 175.22 174.62 2fgx s ALA 63 N -0.48 3.41 -0.71 11.12 0.00 0.99 -0.93 121.76 135.16 2fgx s ALA 63 Ca 0.09 -1.31 -0.23 0.00 0.00 0.00 0.00 51.96 50.50 2fgx s ALA 63 Cb -0.12 -3.13 0.07 0.00 0.00 0.00 0.00 23.12 19.94 2fgx s ALA 63 CO 0.02 -1.58 1.06 0.08 0.00 0.00 0.00 175.76 175.34 2fgx s VAL 64 N 2.41 4.22 0.00 0.00 1.01 0.10 -2.33 120.40 125.82 2fgx s VAL 64 Ca 0.17 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 61.82 2fgx s VAL 64 Cb -0.16 -4.75 0.00 0.00 0.00 0.00 0.00 36.38 31.47 2fgx s VAL 64 CO 0.15 -1.56 0.00 -3.20 0.00 0.00 0.00 175.10 170.49 2fgx n ASN 65 N 7.98 0.00 -0.00 3.32 4.05 -1.26 -3.54 115.26 125.81 2fgx n ASN 65 Ca 0.01 0.00 0.07 0.00 0.45 0.00 0.00 54.58 55.11 2fgx n ASN 65 Cb 0.47 0.00 -0.09 0.00 1.23 0.00 0.00 39.78 41.39 2fgx n ASN 65 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 177.26 175.42 2fgx n GLU 66 N 0.00 1.94 -2.29 1.20 2.13 -1.26 -5.06 120.64 117.31 2fgx n GLU 66 Ca 0.00 -0.02 -0.02 0.00 0.66 0.00 0.00 57.16 57.79 2fgx n GLU 66 Cb 0.00 -1.21 0.00 0.00 0.27 0.00 0.00 31.44 30.50 2fgx n GLU 66 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2fgx n ASP 67 N -1.43 -5.77 -3.55 4.31 9.92 -0.98 -5.10 116.55 113.94 2fgx n ASP 67 Ca 0.02 0.73 -0.07 0.00 -0.53 0.00 0.00 54.79 54.94 2fgx n ASP 67 Cb 0.25 -3.74 -0.03 0.00 -0.64 0.00 0.00 41.12 36.97 2fgx n ASP 67 CO 0.00 0.00 0.00 -1.59 0.13 0.00 0.00 177.20 175.74 2fgx s LYS 68 N -1.32 0.58 0.06 -1.24 -2.85 -1.17 -5.01 119.74 108.80 2fgx s LYS 68 Ca 0.05 -0.13 -0.27 0.00 -1.00 0.00 0.00 55.97 54.61 2fgx s LYS 68 Cb -0.01 0.27 -0.05 0.00 -2.06 0.00 0.00 37.83 35.97 2fgx s LYS 68 CO 0.49 -0.24 0.87 -1.21 0.10 0.00 0.00 175.35 175.36 2fgx s GLU 69 N -2.38 4.58 -0.20 1.78 2.02 -1.26 -0.01 118.70 123.23 2fgx s GLU 69 Ca 0.05 1.25 -0.14 0.00 0.02 0.00 0.00 54.97 56.15 2fgx s GLU 69 Cb -0.01 -3.38 -0.20 0.00 0.10 0.00 0.00 34.13 30.64 2fgx s GLU 69 CO -0.05 0.21 0.12 1.28 0.02 0.00 0.00 175.26 176.83 2fgx n LEU 70 N 2.96 2.17 -3.68 1.80 4.77 -0.20 -4.89 117.00 119.93 2fgx n LEU 70 Ca 0.00 0.31 -0.11 0.00 -0.03 0.00 0.00 56.01 56.18 2fgx n LEU 70 Cb 0.50 -0.98 -0.06 0.00 -2.33 0.00 0.00 43.42 40.55 2fgx n LEU 70 CO 0.49 0.54 0.12 0.00 -1.33 0.00 0.00 177.39 177.21 2fgx s HIS 72 N -3.15 1.52 0.37 0.00 -3.43 -1.26 -0.60 115.29 108.74 2fgx s HIS 72 Ca -0.01 -0.59 0.00 0.00 -0.80 0.00 0.00 55.06 53.66 2fgx s HIS 72 Cb 0.01 -1.12 0.00 0.00 -1.43 0.00 0.00 32.58 30.04 2fgx s HIS 72 CO -0.07 -0.31 0.00 0.66 -2.00 0.00 0.00 174.74 173.01 2fgx n TYR 73 N 3.93 -2.95 0.00 0.38 4.02 0.17 -4.87 117.16 117.83 2fgx n TYR 73 Ca -0.22 1.58 0.00 0.00 -0.01 0.00 0.00 57.90 59.26 2fgx n TYR 73 Cb 0.52 -2.67 0.00 0.00 -0.02 0.00 0.00 39.34 37.17 2fgx n TYR 73 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 2fgx n PHE 74 N -1.42 0.00 -3.17 -0.72 3.72 -1.26 -4.63 117.46 109.98 2fgx n PHE 74 Ca 0.00 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.45 2fgx n PHE 74 Cb 0.12 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.64 2fgx n PHE 74 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 2fgx s LEU 75 N 0.00 -0.60 -1.02 4.37 2.96 -1.26 -4.71 118.68 118.42 2fgx s LEU 75 Ca 0.00 0.41 -0.22 0.00 -0.22 0.00 0.00 54.13 54.10 2fgx s LEU 75 Cb 0.00 1.52 0.06 0.00 0.50 0.00 0.00 46.19 48.28 2fgx s LEU 75 CO 0.00 -0.11 1.41 -1.81 -1.32 0.00 0.00 176.35 174.51 2fgx s ASP 76 N 2.89 6.54 0.55 3.68 1.01 -1.26 -4.84 116.67 125.24 2fgx s ASP 76 Ca 0.02 -1.59 0.24 0.00 0.71 0.00 0.00 52.55 51.93 2fgx s ASP 76 Cb -0.11 -2.54 1.50 0.00 1.01 0.00 0.00 42.92 42.79 2fgx s ASP 76 CO -0.13 -1.42 2.11 0.28 0.21 0.00 0.00 175.17 176.22 2fgx h SER 77 N 9.55 0.00 -0.12 0.27 0.02 -1.98 -1.92 113.55 119.37 2fgx h SER 77 Ca 0.20 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 61.08 2fgx h SER 77 Cb 1.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.55 2fgx h SER 77 CO 1.38 0.00 -0.21 -0.78 -1.14 0.00 0.00 176.83 176.08 2fgx h ASP 78 N 0.00 0.39 -0.16 3.07 1.82 -1.98 -1.28 116.42 118.27 2fgx h ASP 78 Ca 0.09 -0.55 -0.10 0.00 -0.39 0.00 0.00 57.03 56.08 2fgx h ASP 78 Cb 0.39 -0.11 -0.00 0.00 0.68 0.00 0.00 39.33 40.29 2fgx h ASP 78 CO -0.00 0.86 -0.27 0.58 -1.61 0.00 0.00 179.24 178.80 2fgx h VAL 79 N -0.07 1.35 0.00 2.25 2.07 -1.81 -1.82 116.25 118.23 2fgx h VAL 79 Ca 0.01 -1.51 -0.04 0.00 0.82 0.00 0.00 66.70 65.97 2fgx h VAL 79 Cb 0.79 1.95 -0.01 0.00 -1.52 0.00 0.00 31.29 32.50 2fgx h VAL 79 CO 0.05 0.45 -0.21 -0.29 0.02 0.00 0.00 177.57 177.60 2fgx h ILE 80 N 0.09 0.97 -0.34 4.57 6.09 -1.46 -1.71 117.51 125.71 2fgx h ILE 80 Ca 0.01 -0.75 -0.10 0.00 -1.37 0.00 0.00 64.86 62.65 2fgx h ILE 80 Cb 0.86 1.42 -0.01 0.00 0.47 0.00 0.00 36.82 39.56 2fgx h ILE 80 CO 0.06 0.20 -0.21 1.23 -3.07 0.00 0.00 178.15 176.36 2fgx h GLY 81 N 0.79 0.71 2.00 8.18 0.00 -0.89 0.38 103.07 114.24 2fgx h GLY 81 Ca -0.00 -0.58 -0.06 0.00 0.00 0.00 0.00 47.33 46.69 2fgx h GLY 81 CO 0.03 0.53 -0.26 0.00 0.00 0.00 0.00 176.54 176.83 2fgx h ALA 82 N 1.19 1.22 0.11 3.60 0.00 -0.46 -0.47 119.26 124.45 2fgx h ALA 82 Ca 0.09 -0.24 -0.31 0.00 0.00 0.00 0.00 54.91 54.45 2fgx h ALA 82 Cb 0.68 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2fgx h ALA 82 CO 0.05 0.33 -1.61 -0.92 0.00 0.00 0.00 179.25 177.10 2fgx h TYR 83 N 0.00 0.41 0.01 0.00 3.20 -1.04 -3.39 116.97 116.16 2fgx h TYR 83 Ca -0.00 -0.30 -0.24 0.00 3.14 0.00 0.00 58.73 61.32 2fgx h TYR 83 Cb 0.60 -0.02 0.01 0.00 1.54 0.00 0.00 36.73 38.86 2fgx h TYR 83 CO 0.00 1.63 -1.00 -0.07 -1.64 0.00 0.00 178.16 177.09 2fgx h LEU 84 N -0.25 0.67 -1.78 2.82 -0.00 -0.18 -3.50 115.31 113.09 2fgx h LEU 84 Ca -0.35 -0.55 0.00 0.00 -0.00 0.00 0.00 57.88 56.98 2fgx h LEU 84 Cb 1.81 -0.21 0.00 0.00 -0.00 0.00 0.00 40.66 42.26 2fgx h LEU 84 CO 0.04 1.35 0.00 -1.20 -0.00 0.00 0.00 178.44 178.63