#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fgm n PHE 1 N 0.00 1.79 -2.92 -1.40 7.35 -1.26 -5.02 117.46 116.00 3fgm n PHE 1 Ca 0.00 -2.02 -0.41 0.00 -0.76 0.00 0.00 57.45 54.25 3fgm n PHE 1 Cb 0.00 -0.28 -0.04 0.00 0.35 0.00 0.00 39.48 39.51 3fgm n PHE 1 CO 0.00 0.00 0.00 -0.80 -0.76 0.00 0.00 176.76 175.20 3fgm s ASN 2 N -3.55 6.84 0.01 -2.13 0.01 -1.26 -5.04 114.94 109.83 3fgm s ASN 2 Ca 0.40 1.04 0.02 0.00 -0.71 0.00 0.00 52.86 53.61 3fgm s ASN 2 Cb 0.37 -2.43 -0.04 0.00 0.41 0.00 0.00 41.25 39.57 3fgm s ASN 2 CO -0.01 -0.46 -0.00 -0.76 -1.51 0.00 0.00 177.10 174.36 3fgm s LEU 3 N 2.56 3.49 0.69 0.60 1.43 -1.26 -0.96 118.68 125.24 3fgm s LEU 3 Ca 0.35 -0.03 -0.11 0.00 -1.03 0.00 0.00 54.13 53.31 3fgm s LEU 3 Cb -0.16 -2.03 0.01 0.00 0.03 0.00 0.00 46.19 44.04 3fgm s LEU 3 CO 0.09 0.27 1.06 -2.16 0.23 0.00 0.00 176.35 175.84 3fgm s PRO 4 N -1.65 2.97 0.27 1.29 0.04 -1.26 -4.64 135.00 132.02 3fgm s PRO 4 Ca 0.20 0.95 -0.05 0.00 0.04 0.00 0.00 61.00 62.14 3fgm s PRO 4 Cb -0.12 -1.99 0.06 0.00 0.04 0.00 0.00 34.50 32.49 3fgm s PRO 4 CO 0.11 -1.07 0.36 -0.35 0.04 0.00 0.00 177.00 176.09 3fgm n PRO 5 N -3.11 -0.47 0.00 0.56 -0.04 -1.26 -4.95 135.00 125.73 3fgm n PRO 5 Ca 0.07 -0.55 0.00 0.00 -0.04 0.00 0.00 63.50 62.98 3fgm n PRO 5 Cb 0.54 -0.38 0.00 0.00 -0.04 0.00 0.00 33.50 33.61 3fgm n PRO 5 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3fgm n GLY 6 N 2.42 -1.44 0.00 0.55 0.00 -1.26 -5.06 105.19 100.40 3fgm n GLY 6 Ca 0.05 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.52 3fgm n GLY 6 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3fgm n ASN 7 N -1.54 0.00 -0.67 1.61 0.23 -1.26 -5.06 115.26 108.57 3fgm n ASN 7 Ca 0.00 -0.78 0.07 0.00 -0.53 0.00 0.00 54.58 53.33 3fgm n ASN 7 Cb 0.00 0.00 0.19 0.00 -2.08 0.00 0.00 39.78 37.89 3fgm n ASN 7 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 3fgm n TYR 8 N 0.00 0.61 0.32 -2.53 4.01 -1.26 -4.66 117.16 113.65 3fgm n TYR 8 Ca 0.00 -0.68 0.19 0.00 -0.16 0.00 0.00 57.90 57.26 3fgm n TYR 8 Cb 0.00 -0.15 1.03 0.00 -0.31 0.00 0.00 39.34 39.91 3fgm n TYR 8 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 3fgm h LYS 9 N 1.70 0.00 -4.17 -0.72 1.57 -1.97 -3.43 116.57 109.56 3fgm h LYS 9 Ca 0.00 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.58 3fgm h LYS 9 Cb 1.02 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 33.12 3fgm h LYS 9 CO 0.09 0.00 -0.71 0.15 -0.57 0.00 0.00 179.45 178.41 3fgm s LYS 10 N -4.07 0.39 0.98 3.15 1.02 -1.26 -5.15 119.74 114.79 3fgm s LYS 10 Ca -0.04 -0.69 -0.12 0.00 0.02 0.00 0.00 55.97 55.14 3fgm s LYS 10 Cb 0.11 -0.00 0.18 0.00 -0.52 0.00 0.00 37.83 37.59 3fgm s LYS 10 CO 0.34 -0.02 1.08 -1.25 -0.92 0.00 0.00 175.35 174.58 3fgm s PRO 11 N -1.64 0.60 0.25 -1.68 0.04 -1.26 -4.78 135.00 126.52 3fgm s PRO 11 Ca -0.13 0.91 -0.22 0.00 0.04 0.00 0.00 61.00 61.60 3fgm s PRO 11 Cb -0.09 -1.73 0.03 0.00 0.04 0.00 0.00 34.50 32.76 3fgm s PRO 11 CO -0.01 -2.72 0.74 -1.59 0.04 0.00 0.00 177.00 173.46 3fgm s LYS 12 N -4.78 1.64 0.13 4.56 -2.85 0.61 -4.28 119.74 114.78 3fgm s LYS 12 Ca 0.65 -0.88 0.01 0.00 -1.00 0.00 0.00 55.97 54.75 3fgm s LYS 12 Cb -0.20 0.58 -0.04 0.00 -2.06 0.00 0.00 37.83 36.11 3fgm s LYS 12 CO 0.59 -0.75 0.28 -0.51 0.10 0.00 0.00 175.35 175.06 3fgm s LEU 13 N -2.90 4.32 -0.28 2.77 1.43 0.16 -0.82 118.68 123.37 3fgm s LEU 13 Ca 0.10 0.27 -0.02 0.00 -1.03 0.00 0.00 54.13 53.44 3fgm s LEU 13 Cb -0.05 -3.00 0.04 0.00 0.03 0.00 0.00 46.19 43.21 3fgm s LEU 13 CO 0.04 0.08 -0.01 -0.76 0.23 0.00 0.00 176.35 175.92 3fgm s LEU 14 N -2.96 3.64 -0.28 1.79 1.43 -1.26 -0.62 118.68 120.42 3fgm s LEU 14 Ca 0.36 -1.06 -0.10 0.00 -1.03 0.00 0.00 54.13 52.29 3fgm s LEU 14 Cb -0.12 -1.72 -0.05 0.00 0.03 0.00 0.00 46.19 44.34 3fgm s LEU 14 CO 0.28 -0.21 0.17 -0.47 0.23 0.00 0.00 176.35 176.36 3fgm s TYR 15 N 1.31 3.20 -0.17 0.29 5.04 -0.46 -0.80 117.35 125.76 3fgm s TYR 15 Ca -0.02 0.04 -0.20 0.00 -2.44 0.00 0.00 57.07 54.44 3fgm s TYR 15 Cb -0.18 -2.36 -0.03 0.00 0.35 0.00 0.00 41.96 39.74 3fgm s TYR 15 CO -0.02 -0.19 0.59 0.00 -1.34 0.00 0.00 175.55 174.59 3fgm h SER 17 N 7.29 0.00 0.06 0.00 4.64 -1.57 0.37 113.55 124.34 3fgm h SER 17 Ca -0.34 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.98 3fgm h SER 17 Cb 1.16 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.24 3fgm h SER 17 CO 0.76 0.00 -0.04 -1.13 -0.87 0.00 0.00 176.83 175.55 3fgm h ASN 18 N 0.00 -0.10 0.00 4.97 -1.24 -1.80 -3.35 115.58 114.06 3fgm h ASN 18 Ca 0.00 0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.02 3fgm h ASN 18 Cb 0.46 0.03 0.00 0.00 0.73 0.00 0.00 38.32 39.54 3fgm h ASN 18 CO 0.00 -0.07 0.00 0.61 -1.29 0.00 0.00 177.43 176.68 3fgm n GLY 19 N -1.14 -0.34 1.98 1.57 0.00 -1.24 -4.70 105.19 101.31 3fgm n GLY 19 Ca -0.07 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.93 3fgm n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fgm n GLY 20 N 0.09 0.38 3.92 -0.02 0.00 0.11 -5.00 105.19 104.67 3fgm n GLY 20 Ca 0.00 -0.81 -0.31 0.00 0.00 0.00 0.00 46.02 44.90 3fgm n GLY 20 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3fgm s HIS 21 N -2.18 3.52 -0.07 1.61 3.76 -1.14 -4.70 115.29 116.08 3fgm s HIS 21 Ca 0.00 0.28 -0.17 0.00 -0.15 0.00 0.00 55.06 55.03 3fgm s HIS 21 Cb -0.00 -1.79 -0.05 0.00 1.11 0.00 0.00 32.58 31.85 3fgm s HIS 21 CO 0.01 0.59 0.44 -0.06 -0.85 0.00 0.00 174.74 174.87 3fgm s PHE 22 N -1.49 3.60 0.37 1.40 0.08 0.37 -0.32 117.98 121.99 3fgm s PHE 22 Ca 0.34 0.92 -0.28 0.00 0.12 0.00 0.00 56.93 58.03 3fgm s PHE 22 Cb -0.13 -2.44 -0.11 0.00 -0.57 0.00 0.00 43.02 39.77 3fgm s PHE 22 CO 0.26 0.36 1.49 -1.17 -0.10 0.00 0.00 175.22 176.06 3fgm s LEU 23 N -0.05 4.32 -0.03 -0.37 2.96 0.02 -1.32 118.68 124.22 3fgm s LEU 23 Ca 0.24 3.04 -0.03 0.00 -0.22 0.00 0.00 54.13 57.16 3fgm s LEU 23 Cb -0.16 -3.67 0.01 0.00 0.50 0.00 0.00 46.19 42.87 3fgm s LEU 23 CO 0.11 -0.87 0.08 -0.60 -1.32 0.00 0.00 176.35 173.75 3fgm s ARG 24 N -1.96 0.12 -0.26 1.98 3.52 0.12 -4.39 118.95 118.07 3fgm s ARG 24 Ca 0.53 0.07 0.01 0.00 -0.13 0.00 0.00 55.73 56.21 3fgm s ARG 24 Cb -0.46 0.06 0.07 0.00 -1.56 0.00 0.00 34.95 33.05 3fgm s ARG 24 CO 0.62 -0.02 -0.01 0.42 -0.81 0.00 0.00 175.30 175.50 3fgm s ILE 25 N -0.06 1.47 0.72 4.11 1.01 -0.97 -1.27 121.20 126.20 3fgm s ILE 25 Ca -0.01 -1.35 -0.12 0.00 0.00 0.00 0.00 60.65 59.16 3fgm s ILE 25 Cb -0.01 -1.85 0.03 0.00 0.01 0.00 0.00 42.46 40.64 3fgm s ILE 25 CO 0.00 -0.26 1.09 -0.76 0.00 0.00 0.00 174.94 175.01 3fgm s LEU 26 N 1.39 3.17 0.55 2.97 1.43 -0.22 -4.85 118.68 123.12 3fgm s LEU 26 Ca -0.01 1.84 0.28 0.00 -1.03 0.00 0.00 54.13 55.21 3fgm s LEU 26 Cb -0.19 -4.53 1.45 0.00 0.03 0.00 0.00 46.19 42.96 3fgm s LEU 26 CO -0.09 -1.78 1.94 -0.65 0.23 0.00 0.00 176.35 175.99 3fgm h PRO 27 N -0.66 0.00 -0.06 1.29 0.11 -1.99 0.97 132.00 131.67 3fgm h PRO 27 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3fgm h PRO 27 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3fgm h PRO 27 CO 0.53 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.92 3fgm n ASP 28 N -4.17 0.60 0.00 -2.05 5.75 -1.26 -4.89 116.55 110.52 3fgm n ASP 28 Ca 0.12 -1.54 0.00 0.00 -0.01 0.00 0.00 54.79 53.36 3fgm n ASP 28 Cb 0.73 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.78 3fgm n ASP 28 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3fgm n GLY 29 N 0.90 0.96 3.76 6.12 0.00 0.34 -4.96 105.19 112.30 3fgm n GLY 29 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 3fgm n GLY 29 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3fgm s THR 30 N -2.39 3.12 -0.10 2.61 -4.23 -1.25 -0.86 115.64 112.54 3fgm s THR 30 Ca 0.00 1.08 0.00 0.00 -1.18 0.00 0.00 61.69 61.60 3fgm s THR 30 Cb 0.00 -3.69 -0.02 0.00 1.34 0.00 0.00 72.50 70.13 3fgm s THR 30 CO 0.00 0.24 -0.11 -0.69 -0.54 0.00 0.00 174.62 173.52 3fgm s VAL 31 N -0.90 3.31 0.00 2.29 1.01 -1.26 -1.06 120.40 123.79 3fgm s VAL 31 Ca 0.49 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.87 3fgm s VAL 31 Cb -0.36 -2.37 0.00 0.00 0.00 0.00 0.00 36.38 33.65 3fgm s VAL 31 CO 0.45 0.55 0.00 -0.90 0.00 0.00 0.00 175.10 175.20 3fgm n ASP 32 N 3.00 0.00 -4.15 3.32 5.75 -0.40 -4.60 116.55 119.48 3fgm n ASP 32 Ca -0.18 -0.53 -0.20 0.00 -0.01 0.00 0.00 54.79 53.88 3fgm n ASP 32 Cb 0.53 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 40.49 3fgm n ASP 32 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3fgm s GLY 33 N -0.78 0.81 0.04 6.12 0.00 0.03 0.10 107.32 113.63 3fgm s GLY 33 Ca 0.00 -0.87 0.02 0.00 0.00 0.00 0.00 44.72 43.88 3fgm s GLY 33 CO 0.00 -0.85 -0.08 -1.08 0.00 0.00 0.00 173.10 171.08 3fgm s THR 34 N -0.95 0.59 -1.03 0.90 -1.32 -0.43 -4.79 115.64 108.62 3fgm s THR 34 Ca 0.01 -0.98 0.24 0.00 -1.21 0.00 0.00 61.69 59.74 3fgm s THR 34 Cb -0.08 -0.63 -0.04 0.00 -1.51 0.00 0.00 72.50 70.23 3fgm s THR 34 CO 0.01 -0.29 1.29 0.54 -2.21 0.00 0.00 174.62 173.97 3fgm n ARG 35 N 1.66 0.04 -2.40 7.08 1.74 -1.26 -0.48 116.66 123.03 3fgm n ARG 35 Ca -0.21 -0.02 -0.41 0.00 -0.77 0.00 0.00 57.85 56.43 3fgm n ARG 35 Cb 0.55 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.46 3fgm n ARG 35 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3fgm s ASP 36 N -2.98 6.01 0.00 0.55 2.15 -1.26 -4.85 116.67 116.29 3fgm s ASP 36 Ca 0.11 0.02 0.13 0.00 0.43 0.00 0.00 52.55 53.23 3fgm s ASP 36 Cb 0.17 -2.55 0.57 0.00 -0.30 0.00 0.00 42.92 40.81 3fgm s ASP 36 CO 0.73 -1.86 1.40 -1.14 -0.17 0.00 0.00 175.17 174.14 3fgm n ARG 37 N 9.00 0.02 -0.00 4.34 0.63 -1.26 -1.96 116.66 127.43 3fgm n ARG 37 Ca 0.10 0.26 0.14 0.00 -0.92 0.00 0.00 57.85 57.43 3fgm n ARG 37 Cb 0.50 -1.50 0.46 0.00 0.45 0.00 0.00 32.46 32.36 3fgm n ARG 37 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 3fgm n SER 38 N -1.47 1.73 -4.77 6.15 3.41 -1.26 -4.94 113.62 112.48 3fgm n SER 38 Ca 0.04 -1.58 -0.40 0.00 -0.26 0.00 0.00 58.87 56.67 3fgm n SER 38 Cb 0.15 -0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.11 3fgm n SER 38 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3fgm s ASP 39 N -2.00 5.87 0.00 4.04 -1.08 -0.83 -4.92 116.67 117.76 3fgm s ASP 39 Ca 0.36 2.93 0.18 0.00 -0.52 0.00 0.00 52.55 55.51 3fgm s ASP 39 Cb 0.21 -2.65 0.56 0.00 -1.46 0.00 0.00 42.92 39.58 3fgm s ASP 39 CO 0.33 -1.18 1.44 0.00 0.52 0.00 0.00 175.17 176.28 3fgm n GLN 40 N -0.19 1.95 -1.12 4.34 1.13 -1.26 -4.16 117.38 118.06 3fgm n GLN 40 Ca 0.05 -1.44 -0.00 0.00 -1.94 0.00 0.00 57.00 53.67 3fgm n GLN 40 Cb 0.42 -1.39 0.14 0.00 0.11 0.00 0.00 30.24 29.51 3fgm n GLN 40 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 3fgm n HIS 41 N 0.66 0.56 0.06 1.08 8.25 -1.26 -4.64 115.22 119.92 3fgm n HIS 41 Ca 0.16 -1.49 0.01 0.00 -0.26 0.00 0.00 57.72 56.14 3fgm n HIS 41 Cb 0.38 -0.25 0.01 0.00 1.12 0.00 0.00 29.99 31.25 3fgm n HIS 41 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 3fgm n ILE 42 N -0.74 0.09 -3.17 1.59 -5.35 -1.26 -2.29 119.36 108.22 3fgm n ILE 42 Ca 0.21 -0.54 -0.40 0.00 -0.27 0.00 0.00 62.75 61.74 3fgm n ILE 42 Cb 0.82 0.99 -0.07 0.00 -1.74 0.00 0.00 39.64 39.64 3fgm n ILE 42 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 3fgm s GLN 43 N -0.21 4.10 0.05 6.28 1.11 -1.26 -4.34 119.66 125.39 3fgm s GLN 43 Ca 0.02 0.45 0.09 0.00 0.01 0.00 0.00 55.36 55.92 3fgm s GLN 43 Cb 0.01 -3.64 -0.03 0.00 -1.01 0.00 0.00 33.01 28.34 3fgm s GLN 43 CO 0.02 -0.36 -0.24 -0.06 0.01 0.00 0.00 175.29 174.65 3fgm s PHE 44 N 2.35 2.13 -0.29 0.91 0.08 0.00 -1.17 117.98 122.00 3fgm s PHE 44 Ca 0.24 -0.40 -0.05 0.00 0.12 0.00 0.00 56.93 56.84 3fgm s PHE 44 Cb -0.16 -1.27 0.02 0.00 -0.57 0.00 0.00 43.02 41.04 3fgm s PHE 44 CO 0.09 0.12 0.04 -1.14 -0.10 0.00 0.00 175.22 174.23 3fgm s GLN 45 N -1.24 2.98 0.18 0.44 2.00 0.11 -0.28 119.66 123.84 3fgm s GLN 45 Ca 0.10 -0.92 -0.12 0.00 -2.00 0.00 0.00 55.36 52.42 3fgm s GLN 45 Cb -0.10 -3.28 -0.07 0.00 0.80 0.00 0.00 33.01 30.37 3fgm s GLN 45 CO 0.02 -0.45 0.55 -0.51 -0.50 0.00 0.00 175.29 174.40 3fgm s LEU 46 N 1.44 4.27 0.03 3.68 1.02 -1.26 -2.02 118.68 125.83 3fgm s LEU 46 Ca 0.01 1.02 -0.02 0.00 0.02 0.00 0.00 54.13 55.16 3fgm s LEU 46 Cb -0.17 -3.43 -0.02 0.00 0.02 0.00 0.00 46.19 42.59 3fgm s LEU 46 CO 0.01 0.04 0.01 -0.94 0.02 0.00 0.00 176.35 175.48 3fgm s SER 47 N -1.96 0.24 0.14 2.29 1.04 -0.94 -4.79 113.70 109.72 3fgm s SER 47 Ca 0.41 -0.55 0.04 0.00 0.48 0.00 0.00 55.95 56.33 3fgm s SER 47 Cb -0.13 0.15 -0.04 0.00 0.10 0.00 0.00 66.02 66.09 3fgm s SER 47 CO 0.20 -0.39 0.16 0.00 0.98 0.00 0.00 173.24 174.19 3fgm s ALA 48 N -2.01 3.69 0.00 5.32 0.00 -1.26 -0.33 121.76 127.17 3fgm s ALA 48 Ca -0.11 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 50.75 3fgm s ALA 48 Cb -0.06 -1.50 0.00 0.00 0.00 0.00 0.00 23.12 21.56 3fgm s ALA 48 CO -0.03 0.58 0.00 -1.91 0.00 0.00 0.00 175.76 174.41 3fgm n GLU 49 N -0.19 0.00 -2.79 0.00 4.07 -0.82 -4.93 120.64 115.98 3fgm n GLU 49 Ca -0.08 0.00 -0.23 0.00 -0.06 0.00 0.00 57.16 56.79 3fgm n GLU 49 Cb 0.54 0.00 0.02 0.00 -0.06 0.00 0.00 31.44 31.94 3fgm n GLU 49 CO 0.00 0.00 0.00 -1.12 -0.06 0.00 0.00 177.13 175.95 3fgm s SER 50 N -0.32 5.62 -0.02 4.31 0.01 -1.26 -4.94 113.70 117.10 3fgm s SER 50 Ca 0.00 0.26 -0.37 0.00 1.31 0.00 0.00 55.95 57.16 3fgm s SER 50 Cb 0.00 -1.36 -0.15 0.00 0.21 0.00 0.00 66.02 64.71 3fgm s SER 50 CO 0.00 -0.89 1.54 0.52 0.41 0.00 0.00 173.24 174.82 3fgm n VAL 51 N -2.24 0.14 -0.70 3.43 0.31 -1.26 -1.01 118.33 117.01 3fgm n VAL 51 Ca 0.04 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 3fgm n VAL 51 Cb 0.58 -1.14 0.00 0.00 -0.91 0.00 0.00 33.84 32.37 3fgm n VAL 51 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3fgm n GLY 52 N 3.30 0.95 3.55 2.92 0.00 -1.26 -5.03 105.19 109.62 3fgm n GLY 52 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.89 3fgm n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fgm s GLU 53 N -0.26 3.07 0.03 1.61 2.02 -0.18 -0.66 118.70 124.33 3fgm s GLU 53 Ca 0.00 -0.54 -0.01 0.00 0.02 0.00 0.00 54.97 54.45 3fgm s GLU 53 Cb 0.00 -2.70 -0.03 0.00 0.10 0.00 0.00 34.13 31.50 3fgm s GLU 53 CO 0.00 0.52 -0.02 0.14 0.02 0.00 0.00 175.26 175.92 3fgm s VAL 54 N -0.41 0.15 0.04 2.63 -7.23 0.32 -1.93 120.40 113.97 3fgm s VAL 54 Ca 0.06 -1.26 0.02 0.00 -1.81 0.00 0.00 61.98 59.00 3fgm s VAL 54 Cb -0.12 -0.77 -0.04 0.00 0.56 0.00 0.00 36.38 36.01 3fgm s VAL 54 CO 0.02 -0.69 0.04 -0.31 -0.31 0.00 0.00 175.10 173.85 3fgm s TYR 55 N -2.44 3.13 -0.27 2.82 2.02 0.55 -1.65 117.35 121.51 3fgm s TYR 55 Ca -0.07 0.08 0.02 0.00 -0.37 0.00 0.00 57.07 56.73 3fgm s TYR 55 Cb -0.03 -1.64 0.07 0.00 -0.40 0.00 0.00 41.96 39.96 3fgm s TYR 55 CO -0.05 0.50 -0.05 0.42 -1.57 0.00 0.00 175.55 174.80 3fgm s ILE 56 N -1.24 1.88 -0.14 2.71 1.01 -1.26 -2.20 121.20 121.95 3fgm s ILE 56 Ca 0.24 -1.58 0.02 0.00 0.00 0.00 0.00 60.65 59.33 3fgm s ILE 56 Cb -0.12 -2.13 0.00 0.00 0.01 0.00 0.00 42.46 40.23 3fgm s ILE 56 CO 0.16 -0.18 -0.19 -0.75 0.00 0.00 0.00 174.94 173.98 3fgm s LYS 57 N 1.21 3.11 0.13 2.79 2.20 -0.86 -0.50 119.74 127.82 3fgm s LYS 57 Ca -0.04 -0.81 -0.31 0.00 -0.36 0.00 0.00 55.97 54.45 3fgm s LYS 57 Cb -0.19 -2.50 -0.10 0.00 -1.51 0.00 0.00 37.83 33.52 3fgm s LYS 57 CO -0.07 0.03 1.79 0.45 -0.36 0.00 0.00 175.35 177.18 3fgm s SER 58 N 0.75 6.45 0.34 1.43 0.15 0.08 0.04 113.70 122.94 3fgm s SER 58 Ca -0.08 2.73 0.16 0.00 0.70 0.00 0.00 55.95 59.46 3fgm s SER 58 Cb -0.16 -2.57 0.53 0.00 -1.71 0.00 0.00 66.02 62.11 3fgm s SER 58 CO 0.00 -0.98 1.66 0.71 1.20 0.00 0.00 173.24 175.84 3fgm h THR 59 N 4.59 1.02 0.07 6.45 1.35 -1.48 0.74 112.91 125.64 3fgm h THR 59 Ca -0.45 -1.77 -0.00 0.00 -0.55 0.00 0.00 66.41 63.63 3fgm h THR 59 Cb 1.21 2.05 0.00 0.00 -1.73 0.00 0.00 68.15 69.69 3fgm h THR 59 CO 0.95 0.45 -0.03 -0.08 -0.25 0.00 0.00 175.52 176.55 3fgm h GLU 60 N 0.00 -0.09 0.00 4.72 4.57 -1.83 -3.39 114.58 118.56 3fgm h GLU 60 Ca -0.00 0.01 -0.12 0.00 -1.18 0.00 0.00 59.36 58.06 3fgm h GLU 60 Cb 1.02 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.60 3fgm h GLU 60 CO 0.06 0.46 -1.89 0.25 -1.18 0.00 0.00 179.01 176.71 3fgm n THR 61 N -4.79 0.61 -0.70 0.32 -2.24 -1.25 -4.99 114.28 101.24 3fgm n THR 61 Ca -0.07 -0.63 0.00 0.00 -2.27 0.00 0.00 64.05 61.08 3fgm n THR 61 Cb 0.29 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.25 3fgm n THR 61 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fgm n GLY 62 N 1.39 0.84 3.82 3.38 0.00 0.25 -5.02 105.19 109.86 3fgm n GLY 62 Ca -0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 3fgm n GLY 62 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3fgm s GLN 63 N -0.30 3.87 -0.02 1.61 -0.21 -1.26 -4.69 119.66 118.66 3fgm s GLN 63 Ca 0.00 1.10 -0.01 0.00 0.02 0.00 0.00 55.36 56.47 3fgm s GLN 63 Cb 0.00 -2.12 -0.04 0.00 1.00 0.00 0.00 33.01 31.85 3fgm s GLN 63 CO 0.00 -0.34 0.09 0.71 -2.12 0.00 0.00 175.29 173.63 3fgm s TYR 64 N -2.40 3.32 0.35 0.91 1.51 0.89 -0.74 117.35 121.19 3fgm s TYR 64 Ca 0.62 0.24 -0.28 0.00 -1.01 0.00 0.00 57.07 56.64 3fgm s TYR 64 Cb -0.12 -1.76 -0.09 0.00 -0.11 0.00 0.00 41.96 39.88 3fgm s TYR 64 CO 0.27 0.57 1.24 -1.17 -1.11 0.00 0.00 175.55 175.34 3fgm s LEU 65 N -1.67 4.37 0.03 -1.29 2.96 0.35 -0.57 118.68 122.86 3fgm s LEU 65 Ca 0.22 2.53 -0.07 0.00 -0.22 0.00 0.00 54.13 56.60 3fgm s LEU 65 Cb -0.12 -3.77 -0.01 0.00 0.50 0.00 0.00 46.19 42.80 3fgm s LEU 65 CO 0.13 -0.54 0.13 0.00 -1.32 0.00 0.00 176.35 174.74 3fgm s ALA 66 N -1.22 -0.17 -0.11 5.97 0.00 -0.29 -4.34 121.76 121.59 3fgm s ALA 66 Ca 0.51 -0.43 0.02 0.00 0.00 0.00 0.00 51.96 52.06 3fgm s ALA 66 Cb -0.36 0.24 0.01 0.00 0.00 0.00 0.00 23.12 23.01 3fgm s ALA 66 CO 0.47 -0.31 -0.16 1.41 0.00 0.00 0.00 175.76 177.17 3fgm s MET 67 N -2.44 2.28 0.85 0.00 1.75 -0.78 -1.23 119.30 119.73 3fgm s MET 67 Ca -0.06 -0.59 -0.09 0.00 -1.25 0.00 0.00 55.69 53.70 3fgm s MET 67 Cb -0.02 -1.91 0.16 0.00 2.84 0.00 0.00 34.83 35.90 3fgm s MET 67 CO -0.04 -0.04 1.17 0.16 -0.65 0.00 0.00 175.02 175.62 3fgm s ASP 68 N 0.93 3.73 0.00 1.11 1.47 0.34 -4.82 116.67 119.43 3fgm s ASP 68 Ca -0.08 0.01 0.06 0.00 1.18 0.00 0.00 52.55 53.72 3fgm s ASP 68 Cb -0.15 -0.22 0.29 0.00 -0.34 0.00 0.00 42.92 42.49 3fgm s ASP 68 CO -0.01 -2.30 1.05 0.35 0.68 0.00 0.00 175.17 174.94 3fgm n THR 69 N -3.32 1.00 0.43 2.11 -2.24 -1.26 -0.37 114.28 110.62 3fgm n THR 69 Ca 0.15 0.25 0.09 0.00 -2.27 0.00 0.00 64.05 62.27 3fgm n THR 69 Cb 0.60 -1.15 0.13 0.00 -2.10 0.00 0.00 70.33 67.81 3fgm n THR 69 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3fgm n ASP 70 N -1.31 2.85 0.00 3.42 8.00 -1.26 -4.96 116.55 123.29 3fgm n ASP 70 Ca 0.03 -1.84 0.00 0.00 0.71 0.00 0.00 54.79 53.68 3fgm n ASP 70 Cb 0.05 -0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.03 3fgm n ASP 70 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fgm n GLY 71 N 1.08 0.73 3.88 0.44 0.00 0.50 -4.59 105.19 107.22 3fgm n GLY 71 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 3fgm n GLY 71 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fgm s LEU 72 N 0.00 4.06 0.07 0.99 2.01 -1.26 -0.69 118.68 123.86 3fgm s LEU 72 Ca 0.00 0.99 -0.03 0.00 0.01 0.00 0.00 54.13 55.10 3fgm s LEU 72 Cb 0.00 -3.80 -0.05 0.00 0.01 0.00 0.00 46.19 42.36 3fgm s LEU 72 CO 0.00 -0.19 0.28 -0.76 1.01 0.00 0.00 176.35 176.69 3fgm s LEU 73 N -3.21 4.33 0.17 1.79 1.43 -1.26 -0.50 118.68 121.43 3fgm s LEU 73 Ca 0.49 0.46 -0.20 0.00 -1.03 0.00 0.00 54.13 53.84 3fgm s LEU 73 Cb -0.11 -2.99 0.05 0.00 0.03 0.00 0.00 46.19 43.17 3fgm s LEU 73 CO 0.24 0.15 0.55 -0.72 0.23 0.00 0.00 176.35 176.81 3fgm s TYR 74 N -1.50 -0.37 -0.07 0.29 1.13 -0.37 -4.49 117.35 111.97 3fgm s TYR 74 Ca 0.35 0.09 -0.17 0.00 -1.41 0.00 0.00 57.07 55.93 3fgm s TYR 74 Cb -0.13 0.48 -0.05 0.00 -1.10 0.00 0.00 41.96 41.17 3fgm s TYR 74 CO 0.23 -0.86 0.46 0.20 -2.51 0.00 0.00 175.55 173.07 3fgm s GLY 75 N -2.80 2.43 0.03 5.49 0.00 -0.04 -1.14 107.32 111.30 3fgm s GLY 75 Ca 0.04 -0.19 0.06 0.00 0.00 0.00 0.00 44.72 44.63 3fgm s GLY 75 CO -0.09 0.57 -0.14 -0.45 0.00 0.00 0.00 173.10 172.99 3fgm s SER 76 N 0.02 4.12 0.34 1.64 0.15 0.27 -4.82 113.70 115.41 3fgm s SER 76 Ca 0.25 -0.32 0.25 0.00 0.70 0.00 0.00 55.95 56.83 3fgm s SER 76 Cb -0.16 -0.79 0.62 0.00 -1.71 0.00 0.00 66.02 63.98 3fgm s SER 76 CO 0.12 0.26 1.70 1.56 1.20 0.00 0.00 173.24 178.08 3fgm h GLN 77 N 4.49 0.00 -6.61 5.44 1.08 -1.90 0.25 115.11 117.87 3fgm h GLN 77 Ca -0.48 0.00 -0.64 0.00 -1.45 0.00 0.00 58.65 56.08 3fgm h GLN 77 Cb 1.16 0.00 -0.22 0.00 -0.05 0.00 0.00 27.48 28.36 3fgm h GLN 77 CO 0.50 0.00 -0.86 0.95 -0.95 0.00 0.00 178.83 178.47 3fgm s THR 78 N -3.19 2.04 -1.41 -0.54 -4.23 -1.26 -4.83 115.64 102.22 3fgm s THR 78 Ca 0.08 -1.63 -0.09 0.00 -1.18 0.00 0.00 61.69 58.87 3fgm s THR 78 Cb 0.08 -1.81 0.07 0.00 1.34 0.00 0.00 72.50 72.18 3fgm s THR 78 CO 0.62 0.07 2.35 -0.81 -0.54 0.00 0.00 174.62 176.31 3fgm n PRO 79 N 1.09 3.83 -1.02 3.99 -0.04 -1.26 -4.78 135.00 136.80 3fgm n PRO 79 Ca -0.18 -3.04 -0.12 0.00 -0.04 0.00 0.00 63.50 60.12 3fgm n PRO 79 Cb 0.53 -2.86 0.08 0.00 -0.04 0.00 0.00 33.50 31.20 3fgm n PRO 79 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 3fgm n ASN 80 N 3.49 0.22 0.25 3.54 0.23 -1.26 -4.85 115.26 116.87 3fgm n ASN 80 Ca 0.58 -1.30 0.18 0.00 -0.53 0.00 0.00 54.58 53.51 3fgm n ASN 80 Cb 0.30 -0.38 0.90 0.00 -2.08 0.00 0.00 39.78 38.51 3fgm n ASN 80 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 3fgm h GLU 81 N 0.00 0.00 -0.00 -3.83 4.11 -1.99 0.43 114.58 113.30 3fgm h GLU 81 Ca -0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.26 3fgm h GLU 81 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 3fgm h GLU 81 CO 0.14 0.00 -0.06 0.39 0.07 0.00 0.00 179.01 179.54 3fgm n GLU 82 N -3.60 0.70 0.00 1.06 1.02 -1.26 -3.68 120.64 114.88 3fgm n GLU 82 Ca 0.00 -0.17 0.10 0.00 -0.02 0.00 0.00 57.16 57.07 3fgm n GLU 82 Cb 0.27 -1.50 0.05 0.00 -0.02 0.00 0.00 31.44 30.24 3fgm n GLU 82 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3fgm n THR 83 N -1.00 0.00 -3.17 2.62 -2.24 0.14 -1.86 114.28 108.77 3fgm n THR 83 Ca 0.16 -0.41 -0.40 0.00 -2.27 0.00 0.00 64.05 61.13 3fgm n THR 83 Cb 0.25 1.34 -0.06 0.00 -2.10 0.00 0.00 70.33 69.76 3fgm n THR 83 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3fgm s LEU 84 N -1.97 4.16 0.12 3.22 1.43 -1.24 -4.47 118.68 119.92 3fgm s LEU 84 Ca 0.21 0.80 0.09 0.00 -1.03 0.00 0.00 54.13 54.20 3fgm s LEU 84 Cb 0.17 -2.83 -0.04 0.00 0.03 0.00 0.00 46.19 43.52 3fgm s LEU 84 CO 0.36 -0.22 -0.23 -0.36 0.23 0.00 0.00 176.35 176.13 3fgm s PHE 85 N 1.68 2.01 -0.37 0.29 0.40 -0.66 -1.26 117.98 120.07 3fgm s PHE 85 Ca 0.27 -0.40 -0.20 0.00 -0.60 0.00 0.00 56.93 56.00 3fgm s PHE 85 Cb -0.16 -1.09 0.00 0.00 0.51 0.00 0.00 43.02 42.29 3fgm s PHE 85 CO 0.10 0.27 0.61 -0.51 0.70 0.00 0.00 175.22 176.39 3fgm s LEU 86 N -2.01 4.32 -0.29 -0.37 1.43 0.16 -0.52 118.68 121.40 3fgm s LEU 86 Ca 0.10 0.03 -0.19 0.00 -1.03 0.00 0.00 54.13 53.03 3fgm s LEU 86 Cb -0.10 -2.73 -0.02 0.00 0.03 0.00 0.00 46.19 43.38 3fgm s LEU 86 CO 0.05 -0.60 0.58 -0.70 0.23 0.00 0.00 176.35 175.91 3fgm s GLU 87 N 2.66 3.94 0.09 1.70 2.12 0.17 -1.47 118.70 127.90 3fgm s GLU 87 Ca 0.23 0.27 0.04 0.00 0.36 0.00 0.00 54.97 55.88 3fgm s GLU 87 Cb -0.15 -3.70 -0.03 0.00 0.26 0.00 0.00 34.13 30.51 3fgm s GLU 87 CO 0.15 -0.49 -0.12 1.03 -0.54 0.00 0.00 175.26 175.29 3fgm s ARG 88 N 2.47 0.83 0.38 4.30 1.81 -0.53 -4.72 118.95 123.49 3fgm s ARG 88 Ca 0.23 -1.05 -0.24 0.00 -1.72 0.00 0.00 55.73 52.95 3fgm s ARG 88 Cb -0.15 -0.66 -0.09 0.00 -0.45 0.00 0.00 34.95 33.59 3fgm s ARG 88 CO 0.11 0.13 1.02 -1.17 -0.68 0.00 0.00 175.30 174.70 3fgm s LEU 89 N -2.10 4.17 -0.04 2.53 2.96 -0.13 -0.14 118.68 125.93 3fgm s LEU 89 Ca 0.02 1.97 -0.04 0.00 -0.22 0.00 0.00 54.13 55.86 3fgm s LEU 89 Cb -0.06 -4.17 0.02 0.00 0.50 0.00 0.00 46.19 42.48 3fgm s LEU 89 CO 0.01 -0.38 0.11 -0.70 -1.32 0.00 0.00 176.35 174.07 3fgm s GLU 90 N -2.43 0.12 -1.39 1.98 2.56 0.47 -4.82 118.70 115.18 3fgm s GLU 90 Ca 0.56 0.19 -0.06 0.00 0.00 0.00 0.00 54.97 55.66 3fgm s GLU 90 Cb -0.20 0.01 0.03 0.00 2.00 0.00 0.00 34.13 35.97 3fgm s GLU 90 CO 0.26 -0.04 0.45 0.39 -0.56 0.00 0.00 175.26 175.75 3fgm n GLU 91 N 3.25 -3.77 -1.96 4.30 1.02 -1.26 -1.41 120.64 120.80 3fgm n GLU 91 Ca -0.15 0.69 -0.15 0.00 -0.02 0.00 0.00 57.16 57.53 3fgm n GLU 91 Cb 0.58 -5.45 -0.03 0.00 -0.02 0.00 0.00 31.44 26.51 3fgm n GLU 91 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3fgm n ASN 92 N -2.31 -4.27 0.04 1.62 4.13 -1.26 -4.59 115.26 108.62 3fgm n ASN 92 Ca -0.08 0.24 0.00 0.00 1.68 0.00 0.00 54.58 56.42 3fgm n ASN 92 Cb 0.59 -3.74 0.00 0.00 -1.54 0.00 0.00 39.78 35.09 3fgm n ASN 92 CO 0.00 0.00 0.00 1.57 0.28 0.00 0.00 177.26 179.11 3fgm n HIS 93 N -2.84 -2.35 -1.93 3.10 -0.00 -0.65 -5.16 115.22 105.39 3fgm n HIS 93 Ca -0.17 0.25 -0.29 0.00 -0.00 0.00 0.00 57.72 57.52 3fgm n HIS 93 Cb 0.57 1.02 0.10 0.00 -0.00 0.00 0.00 29.99 31.68 3fgm n HIS 93 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 3fgm s TYR 94 N -2.00 2.73 -0.08 1.57 2.02 -0.50 -4.81 117.35 116.28 3fgm s TYR 94 Ca 0.00 0.66 0.01 0.00 -0.37 0.00 0.00 57.07 57.37 3fgm s TYR 94 Cb 0.00 -3.58 -0.03 0.00 -0.40 0.00 0.00 41.96 37.96 3fgm s TYR 94 CO 0.00 -1.90 -0.10 -0.80 -1.57 0.00 0.00 175.55 171.19 3fgm s ASN 95 N -4.63 4.39 0.19 2.29 -0.87 0.11 -0.39 114.94 116.03 3fgm s ASN 95 Ca 0.64 -0.12 0.11 0.00 -1.57 0.00 0.00 52.86 51.91 3fgm s ASN 95 Cb -0.10 -1.18 -0.04 0.00 -0.02 0.00 0.00 41.25 39.90 3fgm s ASN 95 CO 0.49 0.31 -0.23 0.42 -2.57 0.00 0.00 177.10 175.52 3fgm s THR 96 N -0.52 2.30 -0.21 1.60 -4.23 0.80 -1.07 115.64 114.31 3fgm s THR 96 Ca 0.07 -2.03 -0.01 0.00 -1.18 0.00 0.00 61.69 58.55 3fgm s THR 96 Cb -0.12 -2.10 0.06 0.00 1.34 0.00 0.00 72.50 71.68 3fgm s THR 96 CO 0.02 -0.14 -0.03 -0.31 -0.54 0.00 0.00 174.62 173.62 3fgm s TYR 97 N -1.71 1.85 -0.14 3.99 2.02 -1.26 -1.46 117.35 120.65 3fgm s TYR 97 Ca 0.20 -1.34 -0.05 0.00 -0.37 0.00 0.00 57.07 55.51 3fgm s TYR 97 Cb -0.08 -1.36 -0.04 0.00 -0.40 0.00 0.00 41.96 40.08 3fgm s TYR 97 CO 0.10 -0.69 0.05 0.42 -1.57 0.00 0.00 175.55 173.86 3fgm s ILE 98 N 1.58 4.73 0.09 2.71 1.01 -0.54 -1.09 121.20 129.68 3fgm s ILE 98 Ca -0.03 -0.07 -0.31 0.00 0.00 0.00 0.00 60.65 60.24 3fgm s ILE 98 Cb -0.17 -3.07 -0.10 0.00 0.01 0.00 0.00 42.46 39.13 3fgm s ILE 98 CO -0.07 0.54 1.89 -0.55 0.00 0.00 0.00 174.94 176.76 3fgm s SER 99 N -0.33 6.43 0.08 3.58 0.15 -0.47 0.40 113.70 123.54 3fgm s SER 99 Ca 0.08 2.73 -0.19 0.00 0.70 0.00 0.00 55.95 59.27 3fgm s SER 99 Cb -0.12 -2.55 -0.09 0.00 -1.71 0.00 0.00 66.02 61.55 3fgm s SER 99 CO 0.02 -1.03 1.53 0.50 1.20 0.00 0.00 173.24 175.46 3fgm h LYS 100 N 9.46 0.40 -0.87 5.44 3.64 -1.51 0.24 116.57 133.37 3fgm h LYS 100 Ca -0.48 -0.12 0.06 0.00 -1.27 0.00 0.00 60.65 58.84 3fgm h LYS 100 Cb 1.23 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.95 3fgm h LYS 100 CO 0.95 0.57 0.57 -0.22 -2.27 0.00 0.00 179.45 179.04 3fgm h LYS 101 N 0.19 0.97 -0.42 1.90 3.64 -1.77 -2.60 116.57 118.47 3fgm h LYS 101 Ca 0.07 -0.06 -0.20 0.00 -1.27 0.00 0.00 60.65 59.19 3fgm h LYS 101 Cb 0.38 -0.22 -0.12 0.00 -0.41 0.00 0.00 32.23 31.86 3fgm h LYS 101 CO 0.01 0.64 0.02 0.72 -2.27 0.00 0.00 179.45 178.58 3fgm n HIS 102 N -4.47 1.33 -0.34 1.91 8.25 -1.13 -4.74 115.22 116.02 3fgm n HIS 102 Ca 0.13 -1.53 0.06 0.00 -0.26 0.00 0.00 57.72 56.11 3fgm n HIS 102 Cb 0.17 -0.53 0.21 0.00 1.12 0.00 0.00 29.99 30.97 3fgm n HIS 102 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3fgm h ALA 103 N 1.13 1.40 0.00 -1.41 0.00 -0.11 0.34 119.26 120.62 3fgm h ALA 103 Ca 0.24 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3fgm h ALA 103 Cb 1.79 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.40 3fgm h ALA 103 CO 0.46 0.19 0.00 1.05 0.00 0.00 0.00 179.25 180.95 3fgm h GLU 104 N 0.93 0.00 -0.00 0.00 9.09 -1.85 -1.71 114.58 121.05 3fgm h GLU 104 Ca 0.47 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.88 3fgm h GLU 104 Cb 0.44 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.54 3fgm h GLU 104 CO -0.26 0.00 -0.64 1.63 0.05 0.00 0.00 179.01 179.79 3fgm n LYS 105 N -2.33 0.22 -3.33 1.06 5.02 0.10 -4.97 118.16 113.93 3fgm n LYS 105 Ca 0.01 -0.15 -0.17 0.00 -2.02 0.00 0.00 58.31 55.97 3fgm n LYS 105 Cb 0.16 -1.50 0.08 0.00 -0.02 0.00 0.00 35.03 33.75 3fgm n LYS 105 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3fgm n ASN 106 N -1.26 -3.02 -4.58 4.39 4.13 -0.64 -4.96 115.26 109.31 3fgm n ASN 106 Ca 0.06 -0.53 -0.40 0.00 1.68 0.00 0.00 54.58 55.38 3fgm n ASN 106 Cb 0.35 -4.61 -0.08 0.00 -1.54 0.00 0.00 39.78 33.90 3fgm n ASN 106 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 3fgm s TRP 107 N -3.31 3.22 0.21 3.10 0.52 -1.24 -4.48 118.94 116.96 3fgm s TRP 107 Ca 0.13 0.34 0.07 0.00 0.02 0.00 0.00 56.10 56.66 3fgm s TRP 107 Cb -0.06 -2.76 -0.04 0.00 -1.15 0.00 0.00 33.47 29.47 3fgm s TRP 107 CO 0.65 -0.38 0.14 -0.06 0.02 0.00 0.00 176.95 177.32 3fgm s PHE 108 N 2.26 3.06 -0.12 -1.98 0.40 -1.26 -1.36 117.98 118.97 3fgm s PHE 108 Ca 0.18 -0.09 -0.28 0.00 -0.60 0.00 0.00 56.93 56.14 3fgm s PHE 108 Cb -0.16 -1.42 -0.01 0.00 0.51 0.00 0.00 43.02 41.94 3fgm s PHE 108 CO 0.11 0.53 0.93 0.08 0.70 0.00 0.00 175.22 177.57 3fgm s VAL 109 N -1.97 4.83 0.08 -0.44 1.01 -0.25 -4.40 120.40 119.26 3fgm s VAL 109 Ca 0.31 1.88 -0.26 0.00 0.00 0.00 0.00 61.98 63.92 3fgm s VAL 109 Cb -0.09 -4.24 0.07 0.00 0.00 0.00 0.00 36.38 32.12 3fgm s VAL 109 CO 0.23 0.03 0.62 -0.83 0.00 0.00 0.00 175.10 175.15 3fgm s GLY 110 N 1.09 -0.59 0.19 4.51 0.00 -1.26 -4.52 107.32 106.75 3fgm s GLY 110 Ca 0.45 0.77 0.11 0.00 0.00 0.00 0.00 44.72 46.04 3fgm s GLY 110 CO 0.16 0.43 -0.23 1.08 0.00 0.00 0.00 173.10 174.55 3fgm s LEU 111 N -2.17 2.43 0.79 0.66 1.43 -0.97 -0.14 118.68 120.72 3fgm s LEU 111 Ca -0.03 -0.86 -0.09 0.00 -1.03 0.00 0.00 54.13 52.12 3fgm s LEU 111 Cb -0.01 -1.10 0.12 0.00 0.03 0.00 0.00 46.19 45.23 3fgm s LEU 111 CO -0.04 0.09 1.12 -0.54 0.23 0.00 0.00 176.35 177.20 3fgm s LYS 112 N -2.67 1.59 0.54 1.70 1.02 0.17 -4.44 119.74 117.64 3fgm s LYS 112 Ca 0.19 -0.47 0.28 0.00 0.02 0.00 0.00 55.97 55.99 3fgm s LYS 112 Cb -0.08 -2.09 1.52 0.00 -0.52 0.00 0.00 37.83 36.66 3fgm s LYS 112 CO 0.09 -1.67 2.11 0.87 -0.92 0.00 0.00 175.35 175.83 3fgm h LYS 113 N -0.93 0.00 -0.07 1.68 1.57 -1.87 -1.07 116.57 115.87 3fgm h LYS 113 Ca -0.43 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 3fgm h LYS 113 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.59 3fgm h LYS 113 CO 0.49 0.10 0.00 0.27 -0.57 0.00 0.00 179.45 179.74 3fgm n ASN 114 N -3.69 1.13 0.00 0.86 0.23 -1.26 -4.54 115.26 107.98 3fgm n ASN 114 Ca -0.02 -1.52 0.00 0.00 -0.53 0.00 0.00 54.58 52.51 3fgm n ASN 114 Cb 0.21 -0.04 0.00 0.00 -2.08 0.00 0.00 39.78 37.86 3fgm n ASN 114 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3fgm n GLY 115 N 1.07 1.18 3.83 4.83 0.00 -0.40 -4.97 105.19 110.71 3fgm n GLY 115 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 3fgm n GLY 115 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fgm s SER 116 N -3.05 6.93 0.33 1.61 1.04 -1.26 -0.79 113.70 118.50 3fgm s SER 116 Ca 0.00 1.51 -0.29 0.00 0.48 0.00 0.00 55.95 57.65 3fgm s SER 116 Cb 0.00 -2.46 -0.11 0.00 0.10 0.00 0.00 66.02 63.55 3fgm s SER 116 CO 0.00 -0.23 1.49 -0.69 0.98 0.00 0.00 173.24 174.79 3fgm s VAL 117 N -1.98 2.22 -0.36 5.02 1.01 -1.26 0.42 120.40 125.48 3fgm s VAL 117 Ca 0.56 0.20 -0.12 0.00 0.00 0.00 0.00 61.98 62.62 3fgm s VAL 117 Cb -0.11 -3.13 0.00 0.00 0.00 0.00 0.00 36.38 33.14 3fgm s VAL 117 CO 0.17 0.04 0.23 -0.75 0.00 0.00 0.00 175.10 174.79 3fgm s LYS 118 N -1.32 3.21 0.32 2.72 2.20 0.80 -4.72 119.74 122.94 3fgm s LYS 118 Ca 0.56 -0.84 -0.27 0.00 -0.36 0.00 0.00 55.97 55.06 3fgm s LYS 118 Cb -0.45 -3.79 -0.13 0.00 -1.51 0.00 0.00 37.83 31.94 3fgm s LYS 118 CO 0.54 -0.56 1.06 0.54 -0.36 0.00 0.00 175.35 176.57 3fgm n ARG 119 N 5.08 1.52 -0.38 4.03 1.74 -1.26 -4.24 116.66 123.14 3fgm n ARG 119 Ca -0.12 0.53 -0.02 0.00 -0.77 0.00 0.00 57.85 57.47 3fgm n ARG 119 Cb 0.48 -1.98 0.02 0.00 -1.02 0.00 0.00 32.46 29.96 3fgm n ARG 119 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3fgm n GLY 120 N 1.12 -2.06 0.33 -0.13 0.00 0.13 0.23 105.19 104.81 3fgm n GLY 120 Ca 0.08 1.09 0.19 0.00 0.00 0.00 0.00 46.02 47.38 3fgm n GLY 120 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3fgm h PRO 121 N 0.00 0.00 -0.01 1.61 0.11 -1.85 -0.14 132.00 131.72 3fgm h PRO 121 Ca 0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.42 3fgm h PRO 121 Cb 0.55 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.66 3fgm h PRO 121 CO -0.95 0.00 -0.53 0.54 -0.21 0.00 0.00 178.00 176.85 3fgm n ARG 122 N -3.27 0.54 -3.35 1.05 5.12 0.14 -4.92 116.66 111.97 3fgm n ARG 122 Ca -0.02 -0.39 -0.21 0.00 -1.93 0.00 0.00 57.85 55.30 3fgm n ARG 122 Cb 0.20 -1.49 -0.00 0.00 -1.16 0.00 0.00 32.46 30.01 3fgm n ARG 122 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3fgm s THR 123 N -2.72 4.34 -0.20 0.55 -4.23 -0.07 -4.94 115.64 108.37 3fgm s THR 123 Ca 0.16 -0.74 -0.36 0.00 -1.18 0.00 0.00 61.69 59.57 3fgm s THR 123 Cb 0.18 -3.56 0.14 0.00 1.34 0.00 0.00 72.50 70.60 3fgm s THR 123 CO 0.65 -0.30 1.27 -1.38 -0.54 0.00 0.00 174.62 174.32 3fgm s HIS 124 N -2.31 -0.09 0.46 3.99 -3.43 -1.26 -4.81 115.29 107.85 3fgm s HIS 124 Ca 0.44 0.04 -0.23 0.00 -0.80 0.00 0.00 55.06 54.51 3fgm s HIS 124 Cb -0.10 0.51 -0.09 0.00 -1.43 0.00 0.00 32.58 31.48 3fgm s HIS 124 CO 0.34 -0.15 1.10 0.66 -2.00 0.00 0.00 174.74 174.69 3fgm n TYR 125 N -0.12 1.47 0.00 0.38 4.01 -1.26 -2.74 117.16 118.90 3fgm n TYR 125 Ca 0.01 0.51 0.00 0.00 -0.16 0.00 0.00 57.90 58.26 3fgm n TYR 125 Cb 0.58 -2.27 0.00 0.00 -0.31 0.00 0.00 39.34 37.35 3fgm n TYR 125 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3fgm n GLY 126 N 1.06 3.48 3.84 2.72 0.00 -1.26 -5.07 105.19 109.96 3fgm n GLY 126 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 3fgm n GLY 126 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3fgm s GLN 127 N -0.96 2.88 0.03 1.61 -0.21 -1.11 -4.99 119.66 116.92 3fgm s GLN 127 Ca 0.00 0.76 0.18 0.00 0.02 0.00 0.00 55.36 56.33 3fgm s GLN 127 Cb 0.00 -2.00 -0.16 0.00 1.00 0.00 0.00 33.01 31.85 3fgm s GLN 127 CO 0.00 -1.09 0.70 1.63 -2.12 0.00 0.00 175.29 174.41 3fgm n LYS 128 N -3.10 0.63 0.30 2.91 4.76 -1.26 -4.03 118.16 118.38 3fgm n LYS 128 Ca 0.07 0.12 0.15 0.00 -2.87 0.00 0.00 58.31 55.78 3fgm n LYS 128 Cb 0.55 -1.73 0.92 0.00 -1.84 0.00 0.00 35.03 32.92 3fgm n LYS 128 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3fgm h ALA 129 N 1.53 1.50 -0.01 7.82 0.00 -1.94 -1.88 119.26 126.27 3fgm h ALA 129 Ca -0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3fgm h ALA 129 Cb 1.51 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.30 3fgm h ALA 129 CO 0.03 0.01 -0.13 0.44 0.00 0.00 0.00 179.25 179.60 3fgm n ILE 130 N -3.81 0.00 -3.09 0.00 -5.35 -1.26 -2.28 119.36 103.57 3fgm n ILE 130 Ca -0.03 -0.24 -0.41 0.00 -0.27 0.00 0.00 62.75 61.80 3fgm n ILE 130 Cb 0.09 0.67 -0.06 0.00 -1.74 0.00 0.00 39.64 38.60 3fgm n ILE 130 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3fgm s LEU 131 N -2.20 4.09 0.11 7.28 1.43 -0.71 -4.47 118.68 124.21 3fgm s LEU 131 Ca 0.31 0.64 0.10 0.00 -1.03 0.00 0.00 54.13 54.15 3fgm s LEU 131 Cb 0.20 -2.88 -0.04 0.00 0.03 0.00 0.00 46.19 43.51 3fgm s LEU 131 CO 0.41 -0.43 -0.25 0.26 0.23 0.00 0.00 176.35 176.57 3fgm s TRP 132 N 2.59 2.36 -0.12 0.29 0.52 -0.23 -1.82 118.94 122.53 3fgm s TRP 132 Ca 0.27 -0.36 -0.00 0.00 0.02 0.00 0.00 56.10 56.02 3fgm s TRP 132 Cb -0.15 -1.29 0.02 0.00 -1.15 0.00 0.00 33.47 30.90 3fgm s TRP 132 CO 0.10 0.31 -0.08 -1.17 0.02 0.00 0.00 176.95 176.13 3fgm s LEU 133 N -1.93 1.21 0.07 2.99 2.96 0.28 0.10 118.68 124.36 3fgm s LEU 133 Ca 0.14 -0.31 -0.30 0.00 -0.22 0.00 0.00 54.13 53.43 3fgm s LEU 133 Cb -0.10 -0.86 -0.06 0.00 0.50 0.00 0.00 46.19 45.67 3fgm s LEU 133 CO 0.06 -0.12 1.16 -2.16 -1.32 0.00 0.00 176.35 173.98 3fgm s PRO 134 N 1.70 4.46 0.09 0.98 0.04 -1.26 -1.35 135.00 139.66 3fgm s PRO 134 Ca 0.05 1.73 0.08 0.00 0.04 0.00 0.00 61.00 62.90 3fgm s PRO 134 Cb -0.13 -3.35 -0.03 0.00 0.04 0.00 0.00 34.50 31.03 3fgm s PRO 134 CO -0.08 -0.19 -0.21 -0.51 0.04 0.00 0.00 177.00 176.04 3fgm s LEU 135 N 0.86 2.28 0.51 -3.56 1.43 0.21 -4.94 118.68 115.47 3fgm s LEU 135 Ca 0.57 -0.66 -0.22 0.00 -1.03 0.00 0.00 54.13 52.79 3fgm s LEU 135 Cb -0.29 -0.93 -0.06 0.00 0.03 0.00 0.00 46.19 44.95 3fgm s LEU 135 CO 0.30 0.08 1.23 -2.16 0.23 0.00 0.00 176.35 176.04 3fgm s PRO 136 N -1.80 3.40 0.00 1.29 0.04 -1.26 0.37 135.00 137.05 3fgm s PRO 136 Ca 0.07 1.92 0.23 0.00 0.04 0.00 0.00 61.00 63.27 3fgm s PRO 136 Cb -0.10 -2.26 1.38 0.00 0.04 0.00 0.00 34.50 33.57 3fgm s PRO 136 CO 0.04 -0.88 1.75 1.33 0.04 0.00 0.00 177.00 179.28