#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fbg s LEU 1 N 0.00 2.10 0.01 1.04 0.05 0.14 -4.82 118.68 117.20 3fbg s LEU 1 Ca 0.00 -0.26 -0.21 0.00 0.05 0.00 0.00 54.13 53.72 3fbg s LEU 1 Cb 0.00 -0.24 -0.06 0.00 -2.05 0.00 0.00 46.19 43.84 3fbg s LEU 1 CO 0.00 -0.03 0.60 -1.59 -0.55 0.00 0.00 176.35 174.78 3fbg s LYS 2 N -0.64 4.31 0.01 1.48 0.00 -1.26 -1.26 119.74 122.37 3fbg s LYS 2 Ca -0.02 0.75 0.02 0.00 0.00 0.00 0.00 55.97 56.72 3fbg s LYS 2 Cb -0.05 -3.32 -0.01 0.00 0.00 0.00 0.00 37.83 34.45 3fbg s LYS 2 CO 0.00 0.41 -0.06 0.00 0.00 0.00 0.00 175.35 175.71 3fbg s ALA 3 N -0.36 0.46 -0.22 0.59 0.00 -0.76 -1.05 121.76 120.42 3fbg s ALA 3 Ca 0.31 -0.34 -0.10 0.00 0.00 0.00 0.00 51.96 51.83 3fbg s ALA 3 Cb -0.19 -0.08 -0.05 0.00 0.00 0.00 0.00 23.12 22.81 3fbg s ALA 3 CO 0.18 0.08 0.14 0.42 0.00 0.00 0.00 175.76 176.57 3fbg s ILE 4 N -0.40 5.24 0.11 0.00 -1.09 -0.34 -0.44 121.20 124.28 3fbg s ILE 4 Ca -0.01 0.14 -0.03 0.00 -2.23 0.00 0.00 60.65 58.52 3fbg s ILE 4 Cb -0.04 -3.42 0.01 0.00 -1.58 0.00 0.00 42.46 37.43 3fbg s ILE 4 CO -0.00 0.38 0.20 0.61 -1.23 0.00 0.00 174.94 174.90 3fbg n GLY 5 N 4.04 2.16 3.20 6.18 0.00 -0.40 -4.34 105.19 116.03 3fbg n GLY 5 Ca -0.15 -1.23 -0.09 0.00 0.00 0.00 0.00 46.02 44.54 3fbg n GLY 5 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3fbg s PHE 6 N -5.95 0.11 -0.12 1.61 -0.12 -0.76 -0.45 117.98 112.29 3fbg s PHE 6 Ca 0.06 -0.48 0.13 0.00 -0.05 0.00 0.00 56.93 56.60 3fbg s PHE 6 Cb -0.01 -0.04 -0.24 0.00 -0.63 0.00 0.00 43.02 42.11 3fbg s PHE 6 CO 0.05 -0.52 0.39 0.39 -0.05 0.00 0.00 175.22 175.47 3fbg n GLU 7 N 0.13 0.66 -3.86 1.99 1.02 -1.26 -1.11 120.64 118.21 3fbg n GLU 7 Ca -0.16 0.17 -0.11 0.00 -0.02 0.00 0.00 57.16 57.05 3fbg n GLU 7 Cb 0.62 -1.67 -0.09 0.00 -0.02 0.00 0.00 31.44 30.27 3fbg n GLU 7 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 3fbg s GLN 8 N -2.55 0.61 0.51 3.49 -0.21 -1.26 -4.65 119.66 115.60 3fbg s GLN 8 Ca -0.09 -0.54 -0.23 0.00 0.02 0.00 0.00 55.36 54.52 3fbg s GLN 8 Cb 0.07 0.25 -0.06 0.00 1.00 0.00 0.00 33.01 34.27 3fbg s GLN 8 CO 0.82 -0.16 1.33 -0.35 -2.12 0.00 0.00 175.29 174.80 3fbg n PRO 9 N 0.98 1.78 -3.64 2.91 -0.04 -1.26 -5.02 135.00 130.71 3fbg n PRO 9 Ca -0.20 0.65 -0.15 0.00 -0.04 0.00 0.00 63.50 63.75 3fbg n PRO 9 Cb 0.58 -2.52 -0.07 0.00 -0.04 0.00 0.00 33.50 31.44 3fbg n PRO 9 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3fbg s PHE 10 N -1.27 -0.39 0.49 0.54 -0.12 -1.09 -5.01 117.98 111.13 3fbg s PHE 10 Ca 0.68 0.62 -0.18 0.00 -0.05 0.00 0.00 56.93 58.00 3fbg s PHE 10 Cb -0.44 0.25 -0.09 0.00 -0.63 0.00 0.00 43.02 42.11 3fbg s PHE 10 CO 0.52 -0.51 0.97 0.15 -0.05 0.00 0.00 175.22 176.31 3fbg s LYS 11 N -1.45 4.04 0.54 1.99 1.02 -1.26 -4.74 119.74 119.88 3fbg s LYS 11 Ca -0.11 1.02 0.31 0.00 0.02 0.00 0.00 55.97 57.20 3fbg s LYS 11 Cb -0.02 -2.15 1.48 0.00 -0.52 0.00 0.00 37.83 36.62 3fbg s LYS 11 CO 0.06 -0.19 2.05 -0.07 -0.92 0.00 0.00 175.35 176.27 3fbg h LEU 12 N 1.25 0.00 -1.29 3.17 3.38 -2.00 -0.54 115.31 119.29 3fbg h LEU 12 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 3fbg h LEU 12 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 3fbg h LEU 12 CO 0.61 0.09 0.00 0.77 0.09 0.00 0.00 178.44 180.00 3fbg h SER 13 N 0.00 0.00 0.28 -0.43 4.64 -2.05 -1.65 113.55 114.34 3fbg h SER 13 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3fbg h SER 13 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 3fbg h SER 13 CO 0.01 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.44 3fbg n ASP 14 N -2.81 0.00 0.00 4.97 8.00 -0.21 -5.01 116.55 121.49 3fbg n ASP 14 Ca 0.01 -0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.35 3fbg n ASP 14 Cb 0.27 -0.21 0.00 0.00 -0.02 0.00 0.00 41.12 41.15 3fbg n ASP 14 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fbg n GLY 15 N 0.39 -0.34 3.57 0.44 0.00 -0.62 -4.76 105.19 103.87 3fbg n GLY 15 Ca 0.11 -1.81 -0.29 0.00 0.00 0.00 0.00 46.02 44.04 3fbg n GLY 15 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3fbg s ASN 16 N -1.56 5.21 0.00 1.61 2.47 -1.26 -4.72 114.94 116.69 3fbg s ASN 16 Ca 0.00 -1.24 0.19 0.00 0.42 0.00 0.00 52.86 52.23 3fbg s ASN 16 Cb 0.00 -2.57 0.59 0.00 -1.45 0.00 0.00 41.25 37.82 3fbg s ASN 16 CO 0.00 -2.79 1.46 0.18 -3.72 0.00 0.00 177.10 172.22 3fbg n LEU 17 N 13.75 2.11 -4.74 3.21 4.77 -1.26 -4.86 117.00 129.97 3fbg n LEU 17 Ca 0.42 -0.94 -0.37 0.00 -0.03 0.00 0.00 56.01 55.10 3fbg n LEU 17 Cb 0.47 -0.17 0.05 0.00 -2.33 0.00 0.00 43.42 41.43 3fbg n LEU 17 CO 0.64 0.47 0.90 -0.36 -1.33 0.00 0.00 177.39 177.71 3fbg s PHE 18 N -1.65 2.27 0.06 -1.77 0.08 -1.26 -4.70 117.98 111.01 3fbg s PHE 18 Ca 0.32 1.47 0.01 0.00 0.12 0.00 0.00 56.93 58.86 3fbg s PHE 18 Cb 0.17 -3.63 -0.03 0.00 -0.57 0.00 0.00 43.02 38.96 3fbg s PHE 18 CO 0.25 -2.60 -0.06 0.15 -0.10 0.00 0.00 175.22 172.86 3fbg s LYS 19 N -3.23 0.64 -0.18 0.44 1.02 0.40 -4.94 119.74 113.89 3fbg s LYS 19 Ca 0.78 -1.06 -0.13 0.00 0.02 0.00 0.00 55.97 55.57 3fbg s LYS 19 Cb -0.35 -0.11 -0.05 0.00 -0.52 0.00 0.00 37.83 36.80 3fbg s LYS 19 CO 0.39 -0.02 0.27 0.99 -0.92 0.00 0.00 175.35 176.06 3fbg s THR 20 N -2.80 5.31 0.11 2.17 2.01 -1.26 -1.28 115.64 119.90 3fbg s THR 20 Ca 0.01 0.48 0.10 0.00 0.31 0.00 0.00 61.69 62.60 3fbg s THR 20 Cb -0.00 -3.61 -0.04 0.00 0.01 0.00 0.00 72.50 68.86 3fbg s THR 20 CO -0.04 0.37 -0.24 -0.36 -0.69 0.00 0.00 174.62 173.66 3fbg s PHE 21 N 0.62 2.38 -0.26 4.92 0.08 0.41 -4.98 117.98 121.15 3fbg s PHE 21 Ca 0.15 -0.35 -0.06 0.00 0.12 0.00 0.00 56.93 56.78 3fbg s PHE 21 Cb -0.13 -1.31 -0.01 0.00 -0.57 0.00 0.00 43.02 41.00 3fbg s PHE 21 CO 0.03 0.31 0.05 -0.80 -0.10 0.00 0.00 175.22 174.71 3fbg s ASN 22 N -1.89 4.95 0.14 1.36 0.01 -1.26 -1.83 114.94 116.42 3fbg s ASN 22 Ca 0.14 -0.41 0.07 0.00 -0.71 0.00 0.00 52.86 51.96 3fbg s ASN 22 Cb -0.10 -1.87 -0.04 0.00 0.41 0.00 0.00 41.25 39.65 3fbg s ASN 22 CO 0.06 -0.08 -0.17 -0.76 -1.51 0.00 0.00 177.10 174.64 3fbg s LEU 23 N 1.55 2.41 0.43 0.60 1.43 -0.39 -4.93 118.68 119.78 3fbg s LEU 23 Ca 0.05 -0.82 -0.24 0.00 -1.03 0.00 0.00 54.13 52.09 3fbg s LEU 23 Cb -0.16 -0.72 -0.08 0.00 0.03 0.00 0.00 46.19 45.27 3fbg s LEU 23 CO 0.02 -0.07 1.22 -1.81 0.23 0.00 0.00 176.35 175.93 3fbg s ASP 24 N -2.50 6.23 -0.22 2.29 1.01 -1.26 0.25 116.67 122.47 3fbg s ASP 24 Ca 0.12 2.45 -0.29 0.00 0.71 0.00 0.00 52.55 55.54 3fbg s ASP 24 Cb -0.06 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.25 3fbg s ASP 24 CO 0.05 -0.88 1.15 -0.63 0.21 0.00 0.00 175.17 175.07 3fbg s ILE 25 N -1.41 4.46 0.76 0.77 1.01 -1.26 -4.73 121.20 120.81 3fbg s ILE 25 Ca 0.61 1.75 -0.11 0.00 0.00 0.00 0.00 60.65 62.89 3fbg s ILE 25 Cb -0.33 -4.19 0.05 0.00 0.01 0.00 0.00 42.46 38.00 3fbg s ILE 25 CO 0.41 -0.22 1.08 -2.16 0.00 0.00 0.00 174.94 174.05 3fbg s PRO 26 N 3.45 2.37 -0.04 2.79 0.04 -1.26 -5.05 135.00 137.31 3fbg s PRO 26 Ca 0.49 0.95 0.02 0.00 0.04 0.00 0.00 61.00 62.50 3fbg s PRO 26 Cb -0.17 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.41 3fbg s PRO 26 CO 0.12 -1.50 -0.08 -1.21 0.04 0.00 0.00 177.00 174.37 3fbg s GLU 27 N -5.01 2.65 0.24 4.56 2.02 -1.26 -5.02 118.70 116.88 3fbg s GLU 27 Ca 0.60 -0.63 -0.30 0.00 0.02 0.00 0.00 54.97 54.67 3fbg s GLU 27 Cb -0.15 -2.53 -0.09 0.00 0.10 0.00 0.00 34.13 31.45 3fbg s GLU 27 CO 0.55 0.64 1.09 -1.25 0.02 0.00 0.00 175.26 176.31 3fbg s PRO 28 N -1.03 4.64 1.03 0.39 0.04 -1.26 -5.04 135.00 133.77 3fbg s PRO 28 Ca 0.14 1.76 -0.12 0.00 0.04 0.00 0.00 61.00 62.81 3fbg s PRO 28 Cb -0.11 -3.22 0.21 0.00 0.04 0.00 0.00 34.50 31.41 3fbg s PRO 28 CO 0.04 0.19 1.08 0.15 0.04 0.00 0.00 177.00 178.49 3fbg s LYS 29 N -1.08 0.17 0.12 4.56 1.02 -1.26 -4.24 119.74 119.03 3fbg s LYS 29 Ca 0.46 0.66 -0.06 0.00 0.02 0.00 0.00 55.97 57.04 3fbg s LYS 29 Cb -0.31 -1.70 0.17 0.00 -0.52 0.00 0.00 37.83 35.48 3fbg s LYS 29 CO 0.38 -2.94 0.75 0.28 -0.92 0.00 0.00 175.35 172.90 3fbg n VAL 30 N -4.34 -0.23 -0.72 3.17 0.31 -1.26 -0.13 118.33 115.12 3fbg n VAL 30 Ca 0.05 1.12 0.07 0.00 -0.01 0.00 0.00 64.34 65.58 3fbg n VAL 30 Cb 0.56 -1.52 0.21 0.00 -0.91 0.00 0.00 33.84 32.18 3fbg n VAL 30 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 3fbg n HIS 31 N -4.75 0.68 -3.92 3.52 8.25 -1.26 -1.50 115.22 116.23 3fbg n HIS 31 Ca 0.06 -0.76 -0.28 0.00 -0.26 0.00 0.00 57.72 56.48 3fbg n HIS 31 Cb 0.22 -0.21 -0.03 0.00 1.12 0.00 0.00 29.99 31.09 3fbg n HIS 31 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3fbg s GLU 32 N -2.22 3.45 0.15 -0.41 2.02 0.81 -1.21 118.70 121.28 3fbg s GLU 32 Ca 0.34 -0.51 0.10 0.00 0.02 0.00 0.00 54.97 54.92 3fbg s GLU 32 Cb 0.26 -2.99 -0.04 0.00 0.10 0.00 0.00 34.13 31.45 3fbg s GLU 32 CO 0.10 0.55 -0.21 0.96 0.02 0.00 0.00 175.26 176.68 3fbg s ILE 33 N -1.65 2.61 -0.20 -1.63 -4.36 -0.01 -0.50 121.20 115.45 3fbg s ILE 33 Ca 0.35 -1.74 -0.05 0.00 -0.26 0.00 0.00 60.65 58.96 3fbg s ILE 33 Cb -0.12 -2.22 -0.02 0.00 1.25 0.00 0.00 42.46 41.35 3fbg s ILE 33 CO 0.28 0.01 -0.01 -0.22 0.24 0.00 0.00 174.94 175.24 3fbg s LEU 34 N -2.36 3.15 -0.10 0.37 2.96 -0.41 -1.91 118.68 120.38 3fbg s LEU 34 Ca 0.19 -0.25 0.01 0.00 -0.22 0.00 0.00 54.13 53.85 3fbg s LEU 34 Cb -0.09 -1.80 -0.02 0.00 0.50 0.00 0.00 46.19 44.78 3fbg s LEU 34 CO 0.10 0.04 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.35 3fbg s VAL 35 N 1.11 3.09 -0.41 1.68 1.01 0.14 -0.13 120.40 126.89 3fbg s VAL 35 Ca 0.02 -0.67 -0.20 0.00 0.00 0.00 0.00 61.98 61.13 3fbg s VAL 35 Cb -0.14 -2.27 0.02 0.00 0.00 0.00 0.00 36.38 33.98 3fbg s VAL 35 CO 0.01 0.55 0.59 -0.75 0.00 0.00 0.00 175.10 175.50 3fbg s LYS 36 N -0.06 3.37 0.20 2.72 2.20 0.59 -1.34 119.74 127.42 3fbg s LYS 36 Ca -0.02 -0.33 -0.30 0.00 -0.36 0.00 0.00 55.97 54.95 3fbg s LYS 36 Cb -0.14 -3.91 -0.09 0.00 -1.51 0.00 0.00 37.83 32.18 3fbg s LYS 36 CO 0.04 -0.88 1.34 0.42 -0.36 0.00 0.00 175.35 175.90 3fbg s ILE 37 N 2.64 3.12 -0.19 5.43 -1.09 -0.54 -1.15 121.20 129.42 3fbg s ILE 37 Ca 0.21 0.91 -0.05 0.00 -2.23 0.00 0.00 60.65 59.49 3fbg s ILE 37 Cb -0.15 -3.58 -0.10 0.00 -1.58 0.00 0.00 42.46 37.05 3fbg s ILE 37 CO 0.17 0.13 -0.22 0.00 -1.23 0.00 0.00 174.94 173.79 3fbg n GLN 38 N 2.72 0.44 -3.91 2.79 6.02 0.52 -4.87 117.38 121.10 3fbg n GLN 38 Ca 0.07 0.15 -0.09 0.00 -0.01 0.00 0.00 57.00 57.12 3fbg n GLN 38 Cb 0.42 -1.28 -0.09 0.00 1.02 0.00 0.00 30.24 30.32 3fbg n GLN 38 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 3fbg s SER 39 N -6.36 0.16 0.17 1.08 0.01 -1.07 -1.15 113.70 106.53 3fbg s SER 39 Ca -0.27 -0.56 -0.00 0.00 1.31 0.00 0.00 55.95 56.43 3fbg s SER 39 Cb 0.09 0.27 -0.04 0.00 0.21 0.00 0.00 66.02 66.54 3fbg s SER 39 CO 0.38 -0.58 0.07 0.27 0.41 0.00 0.00 173.24 173.79 3fbg s ILE 40 N -3.01 0.24 0.16 1.44 -4.36 -0.45 -1.74 121.20 113.48 3fbg s ILE 40 Ca -0.02 -1.96 0.08 0.00 -0.26 0.00 0.00 60.65 58.50 3fbg s ILE 40 Cb 0.01 -2.24 -0.04 0.00 1.25 0.00 0.00 42.46 41.44 3fbg s ILE 40 CO -0.06 -0.30 -0.18 -0.55 0.24 0.00 0.00 174.94 174.09 3fbg s SER 41 N -3.13 2.63 -0.11 4.36 0.15 -1.17 -1.01 113.70 115.41 3fbg s SER 41 Ca 0.29 -0.86 -0.01 0.00 0.70 0.00 0.00 55.95 56.08 3fbg s SER 41 Cb 0.07 -0.15 -0.03 0.00 -1.71 0.00 0.00 66.02 64.21 3fbg s SER 41 CO 0.06 -0.04 -0.07 -0.69 1.20 0.00 0.00 173.24 173.70 3fbg s VAL 42 N -2.05 3.64 0.28 4.45 1.01 -0.90 -4.32 120.40 122.51 3fbg s VAL 42 Ca 0.15 -0.47 0.07 0.00 0.00 0.00 0.00 61.98 61.73 3fbg s VAL 42 Cb -0.06 -2.54 -0.06 0.00 0.00 0.00 0.00 36.38 33.73 3fbg s VAL 42 CO 0.06 0.54 -0.06 0.20 0.00 0.00 0.00 175.10 175.84 3fbg s ASN 43 N -0.11 2.83 0.40 3.32 0.01 -1.26 -4.57 114.94 115.55 3fbg s ASN 43 Ca 0.01 -1.19 0.14 0.00 -0.71 0.00 0.00 52.86 51.11 3fbg s ASN 43 Cb -0.13 -0.18 0.99 0.00 0.41 0.00 0.00 41.25 42.34 3fbg s ASN 43 CO 0.03 -0.33 1.87 -0.65 -1.51 0.00 0.00 177.10 176.51 3fbg h PRO 44 N 2.26 0.48 0.00 -0.60 0.11 -2.00 -0.95 132.00 131.31 3fbg h PRO 44 Ca -0.40 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.66 3fbg h PRO 44 Cb 1.24 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 3fbg h PRO 44 CO 0.67 0.32 -0.10 -0.24 -0.21 0.00 0.00 178.00 178.44 3fbg h VAL 45 N 0.50 0.75 -0.48 3.15 3.04 -2.00 -1.31 116.25 119.90 3fbg h VAL 45 Ca 0.45 -0.41 -0.00 0.00 -1.01 0.00 0.00 66.70 65.73 3fbg h VAL 45 Cb 0.98 1.24 -0.02 0.00 -2.01 0.00 0.00 31.29 31.48 3fbg h VAL 45 CO -0.18 0.10 0.29 0.44 -1.01 0.00 0.00 177.57 177.21 3fbg h ASP 46 N 0.00 0.57 0.38 3.17 3.32 -1.57 -0.61 116.42 121.69 3fbg h ASP 46 Ca -0.00 -0.05 -0.11 0.00 0.02 0.00 0.00 57.03 56.88 3fbg h ASP 46 Cb 0.24 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 3fbg h ASP 46 CO 0.01 0.46 -0.49 0.71 -1.72 0.00 0.00 179.24 178.21 3fbg h THR 47 N 0.64 1.35 -0.04 0.35 1.35 -1.31 -1.56 112.91 113.69 3fbg h THR 47 Ca 0.17 -1.71 -0.24 0.00 -0.55 0.00 0.00 66.41 64.08 3fbg h THR 47 Cb -0.01 1.86 0.01 0.00 -1.73 0.00 0.00 68.15 68.28 3fbg h THR 47 CO -0.03 0.50 -0.94 0.11 -0.25 0.00 0.00 175.52 174.91 3fbg h LYS 48 N 0.10 0.64 0.00 4.72 1.79 -1.29 -3.27 116.57 119.26 3fbg h LYS 48 Ca 0.00 -0.63 -0.07 0.00 -2.18 0.00 0.00 60.65 57.77 3fbg h LYS 48 Cb 0.91 0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 31.72 3fbg h LYS 48 CO 0.07 1.23 -0.34 1.96 -1.08 0.00 0.00 179.45 181.29 3fbg h GLN 49 N 0.38 0.00 0.00 3.15 1.08 -0.92 -2.14 115.11 116.67 3fbg h GLN 49 Ca -0.09 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.11 3fbg h GLN 49 Cb 1.57 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.00 3fbg h GLN 49 CO 0.18 0.34 0.00 -2.13 -0.95 0.00 0.00 178.83 176.27 3fbg n ARG 50 N -3.59 0.05 -0.07 1.46 0.63 -0.60 -2.03 116.66 112.50 3fbg n ARG 50 Ca -0.01 0.29 0.11 0.00 -0.92 0.00 0.00 57.85 57.33 3fbg n ARG 50 Cb 0.47 -1.50 0.14 0.00 0.45 0.00 0.00 32.46 32.02 3fbg n ARG 50 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 3fbg n LEU 51 N -1.40 3.07 -4.86 6.15 4.77 -0.80 -2.67 117.00 121.26 3fbg n LEU 51 Ca 0.03 -1.20 -0.33 0.00 -0.03 0.00 0.00 56.01 54.48 3fbg n LEU 51 Cb 0.08 -0.10 -0.06 0.00 -2.33 0.00 0.00 43.42 41.02 3fbg n LEU 51 CO 0.07 0.58 0.27 -0.04 -1.33 0.00 0.00 177.39 176.94 3fbg s MET 52 N -1.69 3.89 0.33 3.23 -1.94 -0.86 -4.85 119.30 117.40 3fbg s MET 52 Ca 0.30 0.41 -0.28 0.00 -1.71 0.00 0.00 55.69 54.41 3fbg s MET 52 Cb 0.20 -2.65 -0.12 0.00 2.01 0.00 0.00 34.83 34.26 3fbg s MET 52 CO 0.29 0.31 1.33 -0.25 -0.01 0.00 0.00 175.02 176.69 3fbg n ASP 53 N -0.01 2.90 -4.55 3.03 8.00 -1.26 -4.15 116.55 120.51 3fbg n ASP 53 Ca 0.00 1.20 -0.42 0.00 0.71 0.00 0.00 54.79 56.28 3fbg n ASP 53 Cb 0.52 -1.49 -0.07 0.00 -0.02 0.00 0.00 41.12 40.06 3fbg n ASP 53 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3fbg s VAL 54 N -0.92 4.97 -0.02 2.53 1.01 -1.26 -4.96 120.40 121.75 3fbg s VAL 54 Ca 0.57 0.32 -0.25 0.00 0.00 0.00 0.00 61.98 62.62 3fbg s VAL 54 Cb -0.57 -4.03 -0.18 0.00 0.00 0.00 0.00 36.38 31.60 3fbg s VAL 54 CO 0.60 -0.31 1.17 -1.28 0.00 0.00 0.00 175.10 175.29 3fbg h SER 55 N 8.54 -0.13 -3.29 3.32 0.87 -1.93 -3.43 113.55 117.50 3fbg h SER 55 Ca -0.27 -0.38 -0.38 0.00 -1.23 0.00 0.00 61.79 59.53 3fbg h SER 55 Cb 1.12 0.03 -0.39 0.00 -0.44 0.00 0.00 62.40 62.72 3fbg h SER 55 CO 0.81 0.34 -0.74 -0.54 -0.53 0.00 0.00 176.83 176.16 3fbg s LYS 56 N -4.18 -0.00 0.48 2.24 -0.14 -1.26 -5.15 119.74 111.73 3fbg s LYS 56 Ca -0.15 0.32 -0.23 0.00 -1.36 0.00 0.00 55.97 54.55 3fbg s LYS 56 Cb 0.02 -0.65 -0.07 0.00 -1.68 0.00 0.00 37.83 35.45 3fbg s LYS 56 CO 0.60 -0.35 1.25 0.00 -0.76 0.00 0.00 175.35 176.08 3fbg s ALA 57 N 2.15 2.97 0.33 5.17 0.00 -1.26 -4.26 121.76 126.86 3fbg s ALA 57 Ca 0.05 1.11 -0.01 0.00 0.00 0.00 0.00 51.96 53.11 3fbg s ALA 57 Cb -0.12 -3.46 -0.04 0.00 0.00 0.00 0.00 23.12 19.50 3fbg s ALA 57 CO -0.04 -0.90 0.55 -1.25 0.00 0.00 0.00 175.76 174.12 3fbg s PRO 58 N -2.68 3.52 0.01 0.00 0.04 -1.26 -5.14 135.00 129.49 3fbg s PRO 58 Ca 0.65 -0.25 -0.30 0.00 0.04 0.00 0.00 61.00 61.14 3fbg s PRO 58 Cb -0.34 -2.66 -0.04 0.00 0.04 0.00 0.00 34.50 31.50 3fbg s PRO 58 CO 0.41 0.16 1.15 0.50 0.04 0.00 0.00 177.00 179.26 3fbg s ARG 59 N -4.12 4.44 -0.22 4.56 6.06 -0.26 -4.87 118.95 124.54 3fbg s ARG 59 Ca 0.41 1.66 0.02 0.00 -2.50 0.00 0.00 55.73 55.32 3fbg s ARG 59 Cb -0.10 -3.43 0.04 0.00 0.06 0.00 0.00 34.95 31.52 3fbg s ARG 59 CO 0.35 -0.26 -0.16 0.08 -2.50 0.00 0.00 175.30 172.81 3fbg s VAL 60 N 1.36 2.09 0.00 7.11 1.01 -1.26 -1.83 120.40 128.88 3fbg s VAL 60 Ca 0.56 -1.26 0.00 0.00 0.00 0.00 0.00 61.98 61.29 3fbg s VAL 60 Cb -0.26 -2.04 0.00 0.00 0.00 0.00 0.00 36.38 34.08 3fbg s VAL 60 CO 0.27 0.27 0.00 0.18 0.00 0.00 0.00 175.10 175.82 3fbg n LEU 61 N 4.54 0.00 0.00 3.92 4.77 -1.26 -1.10 117.00 127.87 3fbg n LEU 61 Ca -0.18 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 3fbg n LEU 61 Cb 0.46 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 3fbg n LEU 61 CO 0.24 -0.22 0.00 0.61 -1.33 0.00 0.00 177.39 176.68 3fbg n GLY 62 N 5.00 1.05 1.22 -0.72 0.00 -1.26 -1.50 105.19 108.98 3fbg n GLY 62 Ca 0.00 -1.01 0.04 0.00 0.00 0.00 0.00 46.02 45.04 3fbg n GLY 62 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3fbg n PHE 63 N 2.63 0.12 -3.66 1.61 3.72 -1.26 -0.99 117.46 119.63 3fbg n PHE 63 Ca 0.00 -1.00 -0.08 0.00 -0.05 0.00 0.00 57.45 56.32 3fbg n PHE 63 Cb 0.00 -0.20 -0.08 0.00 -0.94 0.00 0.00 39.48 38.26 3fbg n PHE 63 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3fbg s ASP 64 N -2.59 -0.80 0.07 4.37 1.01 -1.25 -4.36 116.67 113.11 3fbg s ASP 64 Ca 0.36 1.30 -0.16 0.00 0.71 0.00 0.00 52.55 54.76 3fbg s ASP 64 Cb 0.38 1.24 0.03 0.00 1.01 0.00 0.00 42.92 45.58 3fbg s ASP 64 CO -0.12 -0.22 0.36 0.00 0.21 0.00 0.00 175.17 175.40 3fbg s ALA 65 N 1.67 -0.83 -0.01 5.23 0.00 -0.15 -3.06 121.76 124.61 3fbg s ALA 65 Ca -0.09 0.06 -0.03 0.00 0.00 0.00 0.00 51.96 51.89 3fbg s ALA 65 Cb -0.07 0.43 0.00 0.00 0.00 0.00 0.00 23.12 23.49 3fbg s ALA 65 CO -0.17 -0.49 0.07 -1.50 0.00 0.00 0.00 175.76 173.67 3fbg s ILE 66 N -2.93 0.04 0.00 0.00 2.07 -0.71 -2.11 121.20 117.56 3fbg s ILE 66 Ca -0.02 -0.33 -0.01 0.00 -1.41 0.00 0.00 60.65 58.88 3fbg s ILE 66 Cb 0.00 -0.22 0.00 0.00 0.13 0.00 0.00 42.46 42.38 3fbg s ILE 66 CO -0.06 -0.18 0.05 0.61 -1.91 0.00 0.00 174.94 173.45 3fbg n GLY 67 N 2.41 0.72 3.59 1.50 0.00 -0.57 -0.35 105.19 112.49 3fbg n GLY 67 Ca -0.17 -0.85 -0.34 0.00 0.00 0.00 0.00 46.02 44.66 3fbg n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fbg s VAL 68 N -2.21 3.90 -0.13 1.61 0.11 -0.30 -0.90 120.40 122.48 3fbg s VAL 68 Ca 0.01 -0.39 -0.29 0.00 -2.93 0.00 0.00 61.98 58.37 3fbg s VAL 68 Cb -0.00 -2.63 -0.04 0.00 -1.53 0.00 0.00 36.38 32.19 3fbg s VAL 68 CO 0.00 0.58 1.53 -0.69 -3.33 0.00 0.00 175.10 173.20 3fbg s VAL 69 N -0.62 3.81 -0.04 2.04 1.01 -0.33 -0.30 120.40 125.97 3fbg s VAL 69 Ca 0.10 0.96 -0.13 0.00 0.00 0.00 0.00 61.98 62.91 3fbg s VAL 69 Cb -0.12 -3.68 -0.31 0.00 0.00 0.00 0.00 36.38 32.27 3fbg s VAL 69 CO 0.02 -0.15 0.71 -0.08 0.00 0.00 0.00 175.10 175.59 3fbg h GLU 70 N 9.52 0.40 -3.01 2.72 4.57 -0.87 -0.83 114.58 127.07 3fbg h GLU 70 Ca -0.34 -0.68 0.05 0.00 -1.18 0.00 0.00 59.36 57.20 3fbg h GLU 70 Cb 1.15 0.25 -0.04 0.00 -0.16 0.00 0.00 28.75 29.96 3fbg h GLU 70 CO 0.97 1.33 0.24 -1.54 -1.18 0.00 0.00 179.01 178.83 3fbg s SER 71 N -7.30 -0.19 -0.01 1.04 1.04 -1.15 -4.85 113.70 102.27 3fbg s SER 71 Ca -0.15 -0.75 -0.05 0.00 0.48 0.00 0.00 55.95 55.47 3fbg s SER 71 Cb 0.05 0.76 0.00 0.00 0.10 0.00 0.00 66.02 66.93 3fbg s SER 71 CO 0.86 -1.43 0.10 0.68 0.98 0.00 0.00 173.24 174.42 3fbg s VAL 72 N -3.51 0.06 0.97 5.02 -7.23 -1.26 -1.29 120.40 113.17 3fbg s VAL 72 Ca 0.12 -0.53 -0.12 0.00 -1.81 0.00 0.00 61.98 59.65 3fbg s VAL 72 Cb -0.06 -0.33 0.17 0.00 0.56 0.00 0.00 36.38 36.73 3fbg s VAL 72 CO 0.08 -0.29 1.09 -0.83 -0.31 0.00 0.00 175.10 174.84 3fbg s GLY 73 N -0.98 1.61 0.00 2.32 0.00 0.34 -4.86 107.32 105.75 3fbg s GLY 73 Ca -0.11 0.04 0.13 0.00 0.00 0.00 0.00 44.72 44.79 3fbg s GLY 73 CO 0.01 0.58 1.49 1.16 0.00 0.00 0.00 173.10 176.34 3fbg n ASN 74 N -4.24 0.00 0.00 1.64 0.23 -1.16 -2.36 115.26 109.37 3fbg n ASN 74 Ca 0.07 -1.58 0.00 0.00 -0.53 0.00 0.00 54.58 52.54 3fbg n ASN 74 Cb 0.54 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.24 3fbg n ASN 74 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3fbg n GLU 75 N -0.70 1.43 -1.87 -3.83 1.02 -0.56 -5.04 120.64 111.08 3fbg n GLU 75 Ca 0.10 -0.97 -0.42 0.00 -0.02 0.00 0.00 57.16 55.85 3fbg n GLU 75 Cb 0.04 -0.77 -0.03 0.00 -0.02 0.00 0.00 31.44 30.67 3fbg n GLU 75 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3fbg s VAL 76 N -0.49 2.39 0.00 2.62 1.01 -0.99 -4.86 120.40 120.08 3fbg s VAL 76 Ca 0.00 0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.27 3fbg s VAL 76 Cb 0.00 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 33.19 3fbg s VAL 76 CO 0.00 0.03 0.00 0.35 0.00 0.00 0.00 175.10 175.48 3fbg n THR 77 N 3.59 0.00 0.38 3.92 -2.24 -1.26 -4.80 114.28 113.87 3fbg n THR 77 Ca 0.13 -0.30 0.13 0.00 -2.27 0.00 0.00 64.05 61.73 3fbg n THR 77 Cb 0.38 0.82 0.27 0.00 -2.10 0.00 0.00 70.33 69.70 3fbg n THR 77 CO 0.00 0.00 0.00 0.24 -0.57 0.00 0.00 175.07 174.74 3fbg h MET 78 N 0.00 0.00 -3.24 -0.78 2.86 -1.96 -3.46 114.93 108.36 3fbg h MET 78 Ca 0.00 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.51 3fbg h MET 78 Cb 0.00 0.00 -0.20 0.00 0.06 0.00 0.00 31.60 31.46 3fbg h MET 78 CO 0.00 0.00 -0.37 -0.06 1.06 0.00 0.00 176.91 177.54 3fbg s PHE 79 N -3.18 -0.09 0.23 -0.22 0.08 -1.26 -5.00 117.98 108.54 3fbg s PHE 79 Ca 0.08 0.10 0.10 0.00 0.12 0.00 0.00 56.93 57.33 3fbg s PHE 79 Cb 0.08 0.04 -0.04 0.00 -0.57 0.00 0.00 43.02 42.52 3fbg s PHE 79 CO 0.64 -0.35 -0.08 -0.80 -0.10 0.00 0.00 175.22 174.53 3fbg s ASN 80 N -1.34 4.23 0.24 1.36 0.01 -1.26 -5.00 114.94 113.18 3fbg s ASN 80 Ca -0.14 -0.69 -0.30 0.00 -0.71 0.00 0.00 52.86 51.02 3fbg s ASN 80 Cb -0.06 -0.69 -0.15 0.00 0.41 0.00 0.00 41.25 40.77 3fbg s ASN 80 CO 0.03 0.05 1.06 0.00 -1.51 0.00 0.00 177.10 176.74 3fbg n GLN 81 N -0.43 1.26 0.00 -0.60 6.02 -1.26 -1.99 117.38 120.37 3fbg n GLN 81 Ca -0.08 0.44 0.00 0.00 -0.01 0.00 0.00 57.00 57.35 3fbg n GLN 81 Cb 0.58 -1.86 0.00 0.00 1.02 0.00 0.00 30.24 29.98 3fbg n GLN 81 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3fbg n GLY 82 N 1.59 3.22 3.76 1.08 0.00 -0.32 -4.96 105.19 109.55 3fbg n GLY 82 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 3fbg n GLY 82 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3fbg n ASP 83 N 0.07 3.62 -4.59 1.61 8.00 -0.84 -4.58 116.55 119.83 3fbg n ASP 83 Ca 0.00 1.21 -0.41 0.00 0.71 0.00 0.00 54.79 56.31 3fbg n ASP 83 Cb 0.00 -1.59 -0.07 0.00 -0.02 0.00 0.00 41.12 39.44 3fbg n ASP 83 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3fbg s ILE 84 N -0.96 5.00 0.18 0.53 1.01 -1.26 -1.18 121.20 124.52 3fbg s ILE 84 Ca 0.55 0.66 0.06 0.00 0.00 0.00 0.00 60.65 61.92 3fbg s ILE 84 Cb -0.50 -3.94 -0.05 0.00 0.01 0.00 0.00 42.46 37.98 3fbg s ILE 84 CO 0.62 -0.12 -0.11 0.68 0.00 0.00 0.00 174.94 176.00 3fbg s VAL 85 N 2.46 1.44 0.07 2.92 -7.23 -0.08 -1.31 120.40 118.68 3fbg s VAL 85 Ca 0.22 -2.13 -0.02 0.00 -1.81 0.00 0.00 61.98 58.24 3fbg s VAL 85 Cb -0.15 -1.99 -0.04 0.00 0.56 0.00 0.00 36.38 34.76 3fbg s VAL 85 CO 0.12 -0.63 0.01 -0.72 -0.31 0.00 0.00 175.10 173.57 3fbg s TYR 86 N -3.16 0.57 -0.07 2.82 -0.00 -0.54 -1.51 117.35 115.46 3fbg s TYR 86 Ca 0.21 -1.07 -0.32 0.00 -0.00 0.00 0.00 57.07 55.89 3fbg s TYR 86 Cb 0.01 -0.38 0.14 0.00 -0.00 0.00 0.00 41.96 41.73 3fbg s TYR 86 CO 0.04 -0.43 1.37 1.52 -0.00 0.00 0.00 175.55 178.05 3fbg s TYR 87 N -3.95 -0.02 -0.14 -3.49 -0.85 -0.89 -2.61 117.35 105.39 3fbg s TYR 87 Ca 0.11 -0.02 -0.06 0.00 -0.52 0.00 0.00 57.07 56.58 3fbg s TYR 87 Cb 0.08 0.52 -0.07 0.00 0.38 0.00 0.00 41.96 42.87 3fbg s TYR 87 CO -0.07 -0.13 -0.18 0.45 -1.52 0.00 0.00 175.55 174.10 3fbg n SER 88 N -0.47 1.37 0.00 -0.18 2.88 -1.26 -0.98 113.62 114.99 3fbg n SER 88 Ca -0.08 0.13 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 3fbg n SER 88 Cb 0.63 -0.39 0.00 0.00 -0.75 0.00 0.00 64.21 63.70 3fbg n SER 88 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3fbg n GLY 89 N 2.22 0.51 3.54 0.46 0.00 -1.26 -3.95 105.19 106.72 3fbg n GLY 89 Ca -0.28 -1.20 -0.15 0.00 0.00 0.00 0.00 46.02 44.39 3fbg n GLY 89 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3fbg s SER 90 N -4.00 -0.66 0.00 1.61 0.15 -1.26 -4.94 113.70 104.60 3fbg s SER 90 Ca 0.00 1.05 0.21 0.00 0.70 0.00 0.00 55.95 57.91 3fbg s SER 90 Cb 0.00 1.00 1.02 0.00 -1.71 0.00 0.00 66.02 66.33 3fbg s SER 90 CO 0.00 -0.39 1.65 -0.81 1.20 0.00 0.00 173.24 174.90 3fbg n PRO 91 N 1.95 0.25 -0.07 5.44 -0.04 -1.26 -2.85 135.00 138.42 3fbg n PRO 91 Ca -0.16 0.10 0.09 0.00 -0.04 0.00 0.00 63.50 63.49 3fbg n PRO 91 Cb 0.56 -1.50 0.36 0.00 -0.04 0.00 0.00 33.50 32.88 3fbg n PRO 91 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3fbg n ASP 92 N -1.31 1.30 -4.18 3.54 5.75 -1.26 -4.85 116.55 115.53 3fbg n ASP 92 Ca 0.09 -1.70 -0.12 0.00 -0.01 0.00 0.00 54.79 53.04 3fbg n ASP 92 Cb 0.17 -0.10 -0.10 0.00 -1.03 0.00 0.00 41.12 40.06 3fbg n ASP 92 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 3fbg s GLN 93 N -1.80 0.87 0.29 0.11 -0.21 -1.13 -5.11 119.66 112.67 3fbg s GLN 93 Ca 0.29 -1.29 -0.30 0.00 0.02 0.00 0.00 55.36 54.08 3fbg s GLN 93 Cb 0.15 -0.37 -0.12 0.00 1.00 0.00 0.00 33.01 33.66 3fbg s GLN 93 CO 0.23 0.03 1.46 0.09 -2.12 0.00 0.00 175.29 174.97 3fbg n ASN 94 N 0.12 3.24 -1.98 5.90 5.03 -1.26 -4.88 115.26 121.44 3fbg n ASN 94 Ca -0.13 1.17 0.00 0.00 0.87 0.00 0.00 54.58 56.48 3fbg n ASN 94 Cb 0.60 -1.52 0.00 0.00 -1.02 0.00 0.00 39.78 37.84 3fbg n ASN 94 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3fbg n GLY 95 N 1.72 0.13 0.59 7.41 0.00 -0.26 -4.82 105.19 109.95 3fbg n GLY 95 Ca 0.08 -1.78 0.13 0.00 0.00 0.00 0.00 46.02 44.46 3fbg n GLY 95 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3fbg n SER 96 N -0.38 1.83 -3.10 1.61 3.41 -0.16 -4.42 113.62 112.40 3fbg n SER 96 Ca 0.00 -1.62 -0.31 0.00 -0.26 0.00 0.00 58.87 56.68 3fbg n SER 96 Cb 0.00 -0.01 -0.04 0.00 -0.26 0.00 0.00 64.21 63.89 3fbg n SER 96 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3fbg n ASN 97 N 0.43 7.40 -3.55 4.04 3.02 -0.56 -4.79 115.26 121.26 3fbg n ASN 97 Ca 0.18 -2.49 -0.10 0.00 -0.03 0.00 0.00 54.58 52.14 3fbg n ASN 97 Cb 0.40 -1.42 -0.02 0.00 -0.61 0.00 0.00 39.78 38.13 3fbg n ASN 97 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3fbg s ALA 98 N 2.29 -1.58 0.21 5.41 0.00 -1.26 -1.19 121.76 125.63 3fbg s ALA 98 Ca 0.62 0.42 0.20 0.00 0.00 0.00 0.00 51.96 53.20 3fbg s ALA 98 Cb 0.18 0.76 0.79 0.00 0.00 0.00 0.00 23.12 24.85 3fbg s ALA 98 CO -0.05 -0.83 1.79 0.93 0.00 0.00 0.00 175.76 177.61 3fbg h GLU 99 N 2.00 0.00 -4.28 0.00 5.08 -1.40 -3.43 114.58 112.55 3fbg h GLU 99 Ca -0.28 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 57.93 3fbg h GLU 99 Cb 1.28 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 30.37 3fbg h GLU 99 CO 0.33 0.33 -0.69 0.71 -1.00 0.00 0.00 179.01 178.69 3fbg s TYR 100 N -3.73 0.55 -0.11 4.33 2.02 -1.26 -1.46 117.35 117.69 3fbg s TYR 100 Ca -0.00 -0.93 -0.23 0.00 -0.37 0.00 0.00 57.07 55.53 3fbg s TYR 100 Cb 0.11 -0.38 0.05 0.00 -0.40 0.00 0.00 41.96 41.35 3fbg s TYR 100 CO 0.67 -0.30 0.56 -1.14 -1.57 0.00 0.00 175.55 173.78 3fbg s GLN 101 N -3.40 0.82 0.02 -0.62 0.74 -0.45 -4.94 119.66 111.84 3fbg s GLN 101 Ca 0.03 0.38 -0.14 0.00 0.05 0.00 0.00 55.36 55.69 3fbg s GLN 101 Cb 0.04 0.39 -0.06 0.00 1.10 0.00 0.00 33.01 34.48 3fbg s GLN 101 CO -0.07 -0.20 0.42 -0.51 -0.55 0.00 0.00 175.29 174.38 3fbg s LEU 102 N -0.62 4.45 -0.08 3.68 1.43 -1.26 -0.69 118.68 125.59 3fbg s LEU 102 Ca -0.07 0.94 -0.10 0.00 -1.03 0.00 0.00 54.13 53.87 3fbg s LEU 102 Cb -0.03 -2.70 0.02 0.00 0.03 0.00 0.00 46.19 43.51 3fbg s LEU 102 CO 0.05 0.28 0.25 -0.51 0.23 0.00 0.00 176.35 176.66 3fbg s ILE 103 N -1.16 0.02 0.27 -0.59 1.10 -0.80 -4.96 121.20 115.07 3fbg s ILE 103 Ca 0.26 -0.14 -0.29 0.00 -0.51 0.00 0.00 60.65 59.97 3fbg s ILE 103 Cb -0.16 -0.41 -0.10 0.00 0.15 0.00 0.00 42.46 41.94 3fbg s ILE 103 CO 0.15 -0.08 1.34 0.21 -2.11 0.00 0.00 174.94 174.45 3fbg s ASN 104 N -0.23 6.78 0.61 4.50 3.84 -1.26 -0.83 114.94 128.34 3fbg s ASN 104 Ca -0.04 2.60 0.31 0.00 0.21 0.00 0.00 52.86 55.94 3fbg s ASN 104 Cb -0.03 -2.63 1.75 0.00 -0.55 0.00 0.00 41.25 39.79 3fbg s ASN 104 CO 0.01 -0.57 2.12 1.05 -2.79 0.00 0.00 177.10 176.91 3fbg h GLU 105 N 4.40 0.00 0.00 0.43 4.11 -1.50 -1.53 114.58 120.48 3fbg h GLU 105 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 3fbg h GLU 105 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 3fbg h GLU 105 CO 0.72 0.00 0.00 0.54 0.07 0.00 0.00 179.01 180.34 3fbg n ARG 106 N -3.63 0.33 -0.28 1.06 1.74 -1.26 -2.87 116.66 111.75 3fbg n ARG 106 Ca 0.01 0.02 0.09 0.00 -0.77 0.00 0.00 57.85 57.20 3fbg n ARG 106 Cb 0.30 -1.50 0.24 0.00 -1.02 0.00 0.00 32.46 30.48 3fbg n ARG 106 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3fbg n LEU 107 N -1.32 3.47 -4.23 0.55 4.77 -0.58 -2.38 117.00 117.29 3fbg n LEU 107 Ca 0.12 -1.96 -0.19 0.00 -0.03 0.00 0.00 56.01 53.95 3fbg n LEU 107 Cb 0.24 -0.36 -0.12 0.00 -2.33 0.00 0.00 43.42 40.85 3fbg n LEU 107 CO 0.22 0.86 -0.47 -0.69 -1.33 0.00 0.00 177.39 175.99 3fbg s VAL 108 N -1.02 1.35 0.05 4.08 1.01 -1.14 -4.45 120.40 120.29 3fbg s VAL 108 Ca 0.37 -1.57 -0.02 0.00 0.00 0.00 0.00 61.98 60.77 3fbg s VAL 108 Cb 0.20 -1.41 -0.04 0.00 0.00 0.00 0.00 36.38 35.13 3fbg s VAL 108 CO 0.26 -0.29 -0.01 0.00 0.00 0.00 0.00 175.10 175.05 3fbg s ALA 109 N -1.70 0.43 0.37 5.51 0.00 -1.07 -4.50 121.76 120.79 3fbg s ALA 109 Ca 0.05 -1.13 -0.27 0.00 0.00 0.00 0.00 51.96 50.61 3fbg s ALA 109 Cb -0.07 0.28 -0.10 0.00 0.00 0.00 0.00 23.12 23.23 3fbg s ALA 109 CO 0.03 -0.37 1.30 0.15 0.00 0.00 0.00 175.76 176.87 3fbg s LYS 110 N -3.77 4.18 0.79 0.00 1.02 -1.26 -1.47 119.74 119.23 3fbg s LYS 110 Ca 0.05 2.17 -0.11 0.00 0.02 0.00 0.00 55.97 58.10 3fbg s LYS 110 Cb 0.07 -2.92 0.06 0.00 -0.52 0.00 0.00 37.83 34.52 3fbg s LYS 110 CO -0.10 -0.32 1.09 0.00 -0.92 0.00 0.00 175.35 175.10 3fbg s ALA 111 N -1.21 2.19 0.49 5.17 0.00 -0.43 -4.75 121.76 123.23 3fbg s ALA 111 Ca 0.53 0.02 -0.22 0.00 0.00 0.00 0.00 51.96 52.29 3fbg s ALA 111 Cb -0.38 -3.19 -0.07 0.00 0.00 0.00 0.00 23.12 19.48 3fbg s ALA 111 CO 0.50 -1.76 1.14 -1.25 0.00 0.00 0.00 175.76 174.39 3fbg s PRO 112 N -5.01 3.65 0.02 0.00 0.04 -1.26 -4.95 135.00 127.48 3fbg s PRO 112 Ca 0.61 1.68 0.23 0.00 0.04 0.00 0.00 61.00 63.56 3fbg s PRO 112 Cb -0.16 -2.26 0.02 0.00 0.04 0.00 0.00 34.50 32.14 3fbg s PRO 112 CO 0.55 -0.62 1.03 1.63 0.04 0.00 0.00 177.00 179.63 3fbg n LYS 113 N -0.76 0.15 -0.15 4.56 5.02 -1.26 -4.28 118.16 121.43 3fbg n LYS 113 Ca 0.09 -0.01 0.11 0.00 -2.02 0.00 0.00 58.31 56.47 3fbg n LYS 113 Cb 0.49 -1.53 0.28 0.00 -0.02 0.00 0.00 35.03 34.25 3fbg n LYS 113 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 3fbg n ASN 114 N -1.71 2.63 -4.22 4.39 6.94 -1.26 -4.90 115.26 117.12 3fbg n ASN 114 Ca 0.03 -1.88 -0.13 0.00 -0.02 0.00 0.00 54.58 52.58 3fbg n ASN 114 Cb 0.38 -0.20 -0.10 0.00 -2.36 0.00 0.00 39.78 37.51 3fbg n ASN 114 CO 0.00 0.00 0.00 0.27 -1.03 0.00 0.00 177.26 176.50 3fbg s ILE 115 N -1.60 0.78 0.79 1.53 -4.36 -1.26 -5.10 121.20 111.98 3fbg s ILE 115 Ca 0.35 -1.98 -0.11 0.00 -0.26 0.00 0.00 60.65 58.66 3fbg s ILE 115 Cb 0.20 -1.93 0.07 0.00 1.25 0.00 0.00 42.46 42.05 3fbg s ILE 115 CO 0.28 -0.66 1.09 -0.94 0.24 0.00 0.00 174.94 174.96 3fbg s SER 116 N -3.13 4.34 0.22 4.36 1.04 -1.26 -4.82 113.70 114.44 3fbg s SER 116 Ca 0.19 1.82 -0.08 0.00 0.48 0.00 0.00 55.95 58.36 3fbg s SER 116 Cb 0.05 -2.50 0.17 0.00 0.10 0.00 0.00 66.02 63.84 3fbg s SER 116 CO 0.00 -2.14 1.81 0.00 0.98 0.00 0.00 173.24 173.89 3fbg h ALA 117 N -1.20 1.07 0.00 5.32 0.00 -1.99 0.12 119.26 122.58 3fbg h ALA 117 Ca -0.44 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.25 3fbg h ALA 117 Cb 1.24 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 3fbg h ALA 117 CO 0.51 0.65 -0.25 1.05 0.00 0.00 0.00 179.25 181.21 3fbg h GLU 118 N 1.19 0.00 0.24 0.00 4.11 -1.97 -1.91 114.58 116.24 3fbg h GLU 118 Ca 0.28 0.00 -0.33 0.00 0.07 0.00 0.00 59.36 59.39 3fbg h GLU 118 Cb 0.14 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.42 3fbg h GLU 118 CO -0.03 0.25 -1.45 1.96 0.07 0.00 0.00 179.01 179.80 3fbg h GLN 119 N 0.00 0.51 -0.37 1.06 1.08 -1.82 -3.38 115.11 112.19 3fbg h GLN 119 Ca -0.00 -0.87 -0.06 0.00 -1.45 0.00 0.00 58.65 56.26 3fbg h GLN 119 Cb 0.64 0.32 -0.02 0.00 -0.05 0.00 0.00 27.48 28.37 3fbg h GLN 119 CO 0.03 1.42 -0.03 0.00 -0.95 0.00 0.00 178.83 179.30 3fbg h ALA 120 N 0.14 1.25 0.00 3.87 0.00 -0.37 -2.71 119.26 121.43 3fbg h ALA 120 Ca -0.26 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3fbg h ALA 120 Cb 2.12 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.75 3fbg h ALA 120 CO 0.26 0.50 0.00 1.55 0.00 0.00 0.00 179.25 181.55 3fbg n VAL 121 N -4.24 0.60 0.34 0.00 3.14 -0.75 -2.11 118.33 115.31 3fbg n VAL 121 Ca 0.02 0.15 0.10 0.00 -2.96 0.00 0.00 64.34 61.65 3fbg n VAL 121 Cb 0.28 -0.84 0.46 0.00 -1.06 0.00 0.00 33.84 32.68 3fbg n VAL 121 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 3fbg n SER 122 N -1.39 0.52 -0.05 6.55 3.41 -1.02 -4.20 113.62 117.44 3fbg n SER 122 Ca 0.07 0.65 0.00 0.00 -0.26 0.00 0.00 58.87 59.33 3fbg n SER 122 Cb 0.18 -0.75 -0.15 0.00 -0.26 0.00 0.00 64.21 63.22 3fbg n SER 122 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3fbg n LEU 123 N -2.10 0.00 0.26 1.04 4.77 -0.89 -4.60 117.00 115.47 3fbg n LEU 123 Ca 0.01 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.86 3fbg n LEU 123 Cb 0.17 0.24 -0.07 0.00 -2.33 0.00 0.00 43.42 41.43 3fbg n LEU 123 CO 0.16 0.24 0.44 -0.65 -1.33 0.00 0.00 177.39 176.25 3fbg h PRO 124 N 0.00 -0.68 -0.19 3.23 0.11 -1.76 0.20 132.00 132.90 3fbg h PRO 124 Ca -0.26 0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.89 3fbg h PRO 124 Cb 1.55 0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.81 3fbg h PRO 124 CO 0.01 -0.37 0.10 1.25 -0.21 0.00 0.00 178.00 178.78 3fbg h LEU 125 N -1.04 0.25 -0.49 2.35 6.46 -1.85 0.29 115.31 121.29 3fbg h LEU 125 Ca -0.07 -0.11 -0.10 0.00 -0.12 0.00 0.00 57.88 57.48 3fbg h LEU 125 Cb 0.61 -0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 40.46 3fbg h LEU 125 CO 0.12 0.29 -0.07 0.71 -0.62 0.00 0.00 178.44 178.86 3fbg h THR 126 N 0.19 1.27 -0.31 1.05 1.35 -1.81 -1.17 112.91 113.48 3fbg h THR 126 Ca 0.07 -1.19 -0.07 0.00 -0.55 0.00 0.00 66.41 64.67 3fbg h THR 126 Cb 0.10 1.05 -0.01 0.00 -1.73 0.00 0.00 68.15 67.56 3fbg h THR 126 CO -0.01 0.41 -0.08 1.23 -0.25 0.00 0.00 175.52 176.82 3fbg h GLY 127 N 0.76 0.66 0.99 5.82 0.00 -0.44 -0.53 103.07 110.32 3fbg h GLY 127 Ca 0.13 -0.54 -0.00 0.00 0.00 0.00 0.00 47.33 46.91 3fbg h GLY 127 CO 0.04 0.50 0.33 -2.22 0.00 0.00 0.00 176.54 175.19 3fbg h ILE 128 N 0.38 1.17 -0.98 2.60 2.04 -0.89 0.27 117.51 122.09 3fbg h ILE 128 Ca 0.08 -0.38 0.06 0.00 1.00 0.00 0.00 64.86 65.62 3fbg h ILE 128 Cb 0.57 0.43 -0.07 0.00 -0.74 0.00 0.00 36.82 37.01 3fbg h ILE 128 CO 0.03 0.17 0.63 0.74 0.00 0.00 0.00 178.15 179.73 3fbg h THR 129 N 0.74 1.09 -0.28 -0.27 2.02 -1.11 -0.90 112.91 114.20 3fbg h THR 129 Ca 0.20 -0.40 -0.11 0.00 0.77 0.00 0.00 66.41 66.87 3fbg h THR 129 Cb -0.01 -0.17 -0.00 0.00 -1.74 0.00 0.00 68.15 66.23 3fbg h THR 129 CO -0.04 0.21 -0.27 0.00 0.37 0.00 0.00 175.52 175.79 3fbg h ALA 130 N 1.44 0.41 -0.76 6.16 0.00 -0.59 -1.38 119.26 124.53 3fbg h ALA 130 Ca 0.42 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3fbg h ALA 130 Cb 0.15 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 3fbg h ALA 130 CO -0.17 0.41 0.49 1.88 0.00 0.00 0.00 179.25 181.86 3fbg h TYR 131 N 0.41 0.98 -0.52 0.00 -1.99 -0.63 0.04 116.97 115.25 3fbg h TYR 131 Ca 0.04 0.01 -0.04 0.00 2.00 0.00 0.00 58.73 60.75 3fbg h TYR 131 Cb 0.84 -0.33 -0.02 0.00 2.00 0.00 0.00 36.73 39.22 3fbg h TYR 131 CO 0.07 0.64 0.17 0.93 -0.00 0.00 0.00 178.16 179.97 3fbg h GLU 132 N 1.04 0.81 -0.68 4.88 5.08 -1.04 0.25 114.58 124.92 3fbg h GLU 132 Ca 0.28 -0.17 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 3fbg h GLU 132 Cb -0.08 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.02 3fbg h GLU 132 CO -0.06 0.74 0.36 1.15 -1.00 0.00 0.00 179.01 180.21 3fbg h THR 133 N 0.72 1.22 0.04 1.13 2.02 -0.98 0.54 112.91 117.59 3fbg h THR 133 Ca 0.17 -0.57 -0.07 0.00 0.77 0.00 0.00 66.41 66.71 3fbg h THR 133 Cb 0.27 0.34 0.00 0.00 -1.74 0.00 0.00 68.15 67.02 3fbg h THR 133 CO -0.01 0.24 -0.32 -0.07 0.37 0.00 0.00 175.52 175.73 3fbg h LEU 134 N 0.94 0.13 0.09 2.58 3.38 -0.68 -1.08 115.31 120.66 3fbg h LEU 134 Ca 0.24 -0.95 -0.25 0.00 0.09 0.00 0.00 57.88 57.00 3fbg h LEU 134 Cb 0.06 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3fbg h LEU 134 CO -0.04 1.15 -1.30 -0.26 0.09 0.00 0.00 178.44 178.08 3fbg h PHE 135 N -0.82 0.34 0.00 1.13 0.04 -0.53 -1.40 116.94 115.70 3fbg h PHE 135 Ca -0.07 -0.25 -0.00 0.00 2.80 0.00 0.00 57.97 60.45 3fbg h PHE 135 Cb 1.20 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 39.34 3fbg h PHE 135 CO 0.24 1.51 -0.00 -0.44 -0.60 0.00 0.00 178.31 179.02 3fbg h ASP 136 N -0.45 -0.00 0.03 2.17 3.32 -1.08 -3.13 116.42 117.28 3fbg h ASP 136 Ca -0.29 -0.88 -0.00 0.00 0.02 0.00 0.00 57.03 55.88 3fbg h ASP 136 Cb 1.64 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.19 3fbg h ASP 136 CO 0.01 0.89 -0.01 0.58 -1.72 0.00 0.00 179.24 178.99 3fbg h VAL 137 N -0.90 0.00 0.00 -1.35 2.07 -0.99 -3.36 116.25 111.73 3fbg h VAL 137 Ca -0.00 -0.83 -0.10 0.00 0.82 0.00 0.00 66.70 66.59 3fbg h VAL 137 Cb 0.88 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 3fbg h VAL 137 CO 0.00 0.00 -0.46 -0.26 0.02 0.00 0.00 177.57 176.88 3fbg h PHE 138 N -0.87 0.00 -1.24 1.57 0.04 -1.22 -3.48 116.94 111.74 3fbg h PHE 138 Ca -0.00 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.64 3fbg h PHE 138 Cb 0.03 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.19 3fbg h PHE 138 CO 0.00 0.46 -0.17 0.41 -0.60 0.00 0.00 178.31 178.40 3fbg n GLY 139 N 0.58 0.19 3.71 -1.45 0.00 -0.62 -5.00 105.19 102.61 3fbg n GLY 139 Ca 0.00 -0.57 -0.33 0.00 0.00 0.00 0.00 46.02 45.12 3fbg n GLY 139 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3fbg s ILE 140 N -2.48 2.31 0.39 -0.61 -4.36 -0.64 -4.99 121.20 110.81 3fbg s ILE 140 Ca 0.04 0.14 -0.23 0.00 -0.26 0.00 0.00 60.65 60.33 3fbg s ILE 140 Cb -0.02 -2.60 -0.10 0.00 1.25 0.00 0.00 42.46 40.99 3fbg s ILE 140 CO 0.05 -0.09 0.95 -0.55 0.24 0.00 0.00 174.94 175.54 3fbg s SER 141 N -2.23 7.08 0.17 4.36 0.15 -1.26 -4.74 113.70 117.23 3fbg s SER 141 Ca 0.72 1.77 0.20 0.00 0.70 0.00 0.00 55.95 59.35 3fbg s SER 141 Cb -0.27 -2.56 0.85 0.00 -1.71 0.00 0.00 66.02 62.33 3fbg s SER 141 CO 0.48 -0.26 1.62 -2.11 1.20 0.00 0.00 173.24 174.18 3fbg n ARG 142 N -0.13 0.13 -3.45 5.44 0.00 -1.26 -4.64 116.66 112.75 3fbg n ARG 142 Ca 0.05 0.37 -0.41 0.00 -0.00 0.00 0.00 57.85 57.85 3fbg n ARG 142 Cb 0.52 -1.74 -0.10 0.00 -0.00 0.00 0.00 32.46 31.14 3fbg n ARG 142 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.63 176.83 3fbg s ASN 143 N -3.80 6.13 0.27 2.89 0.01 -1.26 -4.99 114.94 114.19 3fbg s ASN 143 Ca 0.05 -0.46 -0.00 0.00 -0.71 0.00 0.00 52.86 51.74 3fbg s ASN 143 Cb 0.09 -2.17 0.60 0.00 0.41 0.00 0.00 41.25 40.18 3fbg s ASN 143 CO 0.34 -0.35 1.70 0.03 -1.51 0.00 0.00 177.10 177.32 3fbg h ARG 144 N 8.53 0.37 -0.58 -0.60 3.08 -1.82 -1.25 114.38 122.12 3fbg h ARG 144 Ca -0.29 -0.02 0.08 0.00 0.07 0.00 0.00 59.98 59.81 3fbg h ARG 144 Cb 1.14 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 31.07 3fbg h ARG 144 CO 0.69 0.25 0.39 -2.95 -1.07 0.00 0.00 179.97 177.28 3fbg h ASN 145 N 0.39 0.41 1.09 7.04 -1.07 -1.94 -0.77 115.58 120.73 3fbg h ASN 145 Ca 0.49 0.01 0.00 0.00 0.07 0.00 0.00 56.30 56.87 3fbg h ASN 145 Cb 0.87 -0.08 0.00 0.00 -2.07 0.00 0.00 38.32 37.04 3fbg h ASN 145 CO -0.50 0.26 0.00 -0.33 0.07 0.00 0.00 177.43 176.93 3fbg h GLU 146 N 0.47 0.00 0.00 4.14 5.08 -1.59 -3.11 114.58 119.56 3fbg h GLU 146 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 3fbg h GLU 146 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 3fbg h GLU 146 CO -0.07 0.00 -1.29 0.09 -1.00 0.00 0.00 179.01 176.74 3fbg n ASN 147 N -2.48 0.74 -4.74 1.42 3.02 -0.34 -4.86 115.26 108.02 3fbg n ASN 147 Ca 0.03 -0.58 -0.41 0.00 -0.03 0.00 0.00 54.58 53.58 3fbg n ASN 147 Cb 0.32 1.35 -0.02 0.00 -0.61 0.00 0.00 39.78 40.82 3fbg n ASN 147 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3fbg s GLU 148 N -3.02 4.28 0.00 3.52 2.02 -0.92 -1.34 118.70 123.24 3fbg s GLU 148 Ca 0.02 2.27 0.00 0.00 0.02 0.00 0.00 54.97 57.27 3fbg s GLU 148 Cb 0.14 -3.12 0.00 0.00 0.10 0.00 0.00 34.13 31.24 3fbg s GLU 148 CO 0.80 -0.41 0.00 0.41 0.02 0.00 0.00 175.26 176.08 3fbg n GLY 149 N 2.32 0.64 3.93 -1.39 0.00 -1.26 -5.05 105.19 104.37 3fbg n GLY 149 Ca 0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 3fbg n GLY 149 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fbg s LYS 150 N -0.90 3.47 -0.02 1.61 1.02 -0.45 -5.02 119.74 119.45 3fbg s LYS 150 Ca 0.00 -0.48 0.03 0.00 0.02 0.00 0.00 55.97 55.54 3fbg s LYS 150 Cb 0.00 -2.95 -0.00 0.00 -0.52 0.00 0.00 37.83 34.35 3fbg s LYS 150 CO 0.00 0.52 -0.10 0.99 -0.92 0.00 0.00 175.35 175.84 3fbg s THR 151 N -1.70 0.80 -0.10 2.17 2.01 -1.26 -1.63 115.64 115.92 3fbg s THR 151 Ca 0.36 -0.41 -0.01 0.00 0.31 0.00 0.00 61.69 61.93 3fbg s THR 151 Cb -0.12 -0.69 -0.03 0.00 0.01 0.00 0.00 72.50 71.68 3fbg s THR 151 CO 0.28 0.24 -0.04 -0.22 -0.69 0.00 0.00 174.62 174.19 3fbg s LEU 152 N -0.07 3.30 -0.12 4.42 2.96 -0.29 -1.44 118.68 127.43 3fbg s LEU 152 Ca 0.01 -0.02 -0.01 0.00 -0.22 0.00 0.00 54.13 53.89 3fbg s LEU 152 Cb -0.06 -1.75 -0.02 0.00 0.50 0.00 0.00 46.19 44.86 3fbg s LEU 152 CO -0.00 0.30 -0.09 -0.22 -1.32 0.00 0.00 176.35 175.02 3fbg s LEU 153 N -0.41 2.99 -0.24 -0.68 2.96 -0.08 -0.86 118.68 122.37 3fbg s LEU 153 Ca 0.07 -0.19 -0.02 0.00 -0.22 0.00 0.00 54.13 53.77 3fbg s LEU 153 Cb -0.12 -1.68 0.02 0.00 0.50 0.00 0.00 46.19 44.91 3fbg s LEU 153 CO 0.02 0.22 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.57 3fbg s ILE 154 N 0.05 2.87 -0.07 6.68 1.01 -0.01 -1.33 121.20 130.40 3fbg s ILE 154 Ca -0.02 -0.94 -0.20 0.00 0.00 0.00 0.00 60.65 59.48 3fbg s ILE 154 Cb -0.14 -2.41 -0.04 0.00 0.01 0.00 0.00 42.46 39.87 3fbg s ILE 154 CO 0.04 0.26 0.58 -0.63 0.00 0.00 0.00 174.94 175.19 3fbg s ILE 155 N 1.34 5.07 -0.45 2.92 1.01 -0.09 -1.62 121.20 129.39 3fbg s ILE 155 Ca 0.01 1.19 -0.06 0.00 0.00 0.00 0.00 60.65 61.80 3fbg s ILE 155 Cb -0.16 -3.92 0.01 0.00 0.01 0.00 0.00 42.46 38.40 3fbg s ILE 155 CO -0.05 0.33 0.49 0.59 0.00 0.00 0.00 174.94 176.30 3fbg n ASN 156 N 3.44 -6.43 0.11 3.58 3.02 -1.24 -2.11 115.26 115.63 3fbg n ASN 156 Ca -0.05 0.16 0.13 0.00 -0.03 0.00 0.00 54.58 54.79 3fbg n ASN 156 Cb 0.51 -4.28 0.32 0.00 -0.61 0.00 0.00 39.78 35.72 3fbg n ASN 156 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 3fbg h GLY 157 N 0.88 0.00 -0.50 7.41 0.00 -1.03 -3.36 103.07 106.47 3fbg h GLY 157 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3fbg h GLY 157 CO 0.19 0.00 -0.09 0.00 0.00 0.00 0.00 176.54 176.64 3fbg n ALA 158 N -1.85 2.74 -1.19 3.60 0.00 -1.26 -3.12 120.51 119.42 3fbg n ALA 158 Ca 0.05 -0.48 -0.17 0.00 0.00 0.00 0.00 53.44 52.84 3fbg n ALA 158 Cb 0.45 -1.09 0.21 0.00 0.00 0.00 0.00 19.45 19.02 3fbg n ALA 158 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fbg n GLY 159 N 1.25 -2.50 0.12 0.00 0.00 -1.26 -2.51 105.19 100.30 3fbg n GLY 159 Ca 0.16 -1.53 -0.10 0.00 0.00 0.00 0.00 46.02 44.55 3fbg n GLY 159 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3fbg h GLY 160 N -2.26 0.32 1.17 -0.02 0.00 -1.90 -0.45 103.07 99.93 3fbg h GLY 160 Ca -0.36 -0.14 -0.23 0.00 0.00 0.00 0.00 47.33 46.61 3fbg h GLY 160 CO 0.24 0.13 -0.79 -2.08 0.00 0.00 0.00 176.54 174.04 3fbg h VAL 161 N 0.26 1.28 -0.81 4.60 2.07 -1.93 -3.03 116.25 118.68 3fbg h VAL 161 Ca 0.08 -1.98 0.03 0.00 0.82 0.00 0.00 66.70 65.65 3fbg h VAL 161 Cb 0.04 2.00 -0.05 0.00 -1.52 0.00 0.00 31.29 31.76 3fbg h VAL 161 CO -0.01 0.63 0.52 1.23 0.02 0.00 0.00 177.57 179.95 3fbg h GLY 162 N 0.53 1.17 0.98 2.17 0.00 -1.74 0.19 103.07 106.38 3fbg h GLY 162 Ca -0.06 -0.39 -0.01 0.00 0.00 0.00 0.00 47.33 46.87 3fbg h GLY 162 CO 0.16 0.34 -0.16 1.76 0.00 0.00 0.00 176.54 178.64 3fbg h SER 163 N 1.01 -0.39 0.45 0.19 0.02 -0.96 -1.99 113.55 111.87 3fbg h SER 163 Ca 0.32 0.02 -0.19 0.00 -0.84 0.00 0.00 61.79 61.10 3fbg h SER 163 Cb 0.01 0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 3fbg h SER 163 CO -0.11 -0.27 -0.82 -0.29 -1.14 0.00 0.00 176.83 174.19 3fbg h ILE 164 N -0.44 1.44 -0.20 3.27 6.09 -1.45 -3.16 117.51 123.05 3fbg h ILE 164 Ca -0.04 -2.41 -0.03 0.00 -1.37 0.00 0.00 64.86 61.01 3fbg h ILE 164 Cb 0.35 2.33 -0.01 0.00 0.47 0.00 0.00 36.82 39.95 3fbg h ILE 164 CO 0.06 0.71 -0.02 0.00 -3.07 0.00 0.00 178.15 175.84 3fbg h ALA 165 N 0.95 1.60 -0.54 0.18 0.00 -0.85 -1.24 119.26 119.36 3fbg h ALA 165 Ca -0.04 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 3fbg h ALA 165 Cb 1.43 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 3fbg h ALA 165 CO 0.13 0.30 0.26 1.15 0.00 0.00 0.00 179.25 181.09 3fbg h THR 166 N 0.29 1.20 -0.40 0.00 2.02 -1.33 0.26 112.91 114.96 3fbg h THR 166 Ca 0.07 -0.57 -0.04 0.00 0.77 0.00 0.00 66.41 66.65 3fbg h THR 166 Cb 0.23 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 67.21 3fbg h THR 166 CO 0.01 0.23 0.11 1.56 0.37 0.00 0.00 175.52 177.79 3fbg h GLN 167 N 0.72 0.63 0.07 6.66 4.20 -1.34 -1.76 115.11 124.29 3fbg h GLN 167 Ca 0.18 -0.14 -0.00 0.00 0.06 0.00 0.00 58.65 58.75 3fbg h GLN 167 Cb 0.12 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.81 3fbg h GLN 167 CO -0.02 0.64 -0.03 0.82 -0.67 0.00 0.00 178.83 179.57 3fbg h ILE 168 N 0.50 1.05 -0.97 2.54 2.04 -1.12 -0.85 117.51 120.71 3fbg h ILE 168 Ca 0.13 -0.40 0.06 0.00 1.00 0.00 0.00 64.86 65.64 3fbg h ILE 168 Cb 0.29 1.31 -0.06 0.00 -0.74 0.00 0.00 36.82 37.62 3fbg h ILE 168 CO -0.00 0.10 0.62 0.00 0.00 0.00 0.00 178.15 178.87 3fbg h ALA 169 N 0.65 1.32 -0.23 1.87 0.00 -0.89 -1.72 119.26 120.27 3fbg h ALA 169 Ca -0.01 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3fbg h ALA 169 Cb 0.23 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3fbg h ALA 169 CO 0.02 0.43 0.06 0.87 0.00 0.00 0.00 179.25 180.63 3fbg h LYS 170 N 1.15 0.37 -0.76 0.00 1.79 -1.12 -1.59 116.57 116.41 3fbg h LYS 170 Ca 0.41 -0.08 0.10 0.00 -2.18 0.00 0.00 60.65 58.90 3fbg h LYS 170 Cb 0.13 -0.05 -0.05 0.00 -1.58 0.00 0.00 32.23 30.68 3fbg h LYS 170 CO -0.16 0.46 0.50 0.00 -1.08 0.00 0.00 179.45 179.17 3fbg h ALA 171 N 0.89 1.84 -0.46 3.86 0.00 -0.73 -1.77 119.26 122.88 3fbg h ALA 171 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3fbg h ALA 171 Cb 0.26 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3fbg h ALA 171 CO -0.00 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.91 3fbg n TYR 172 N -4.50 1.08 -0.16 0.00 4.02 -0.68 -4.94 117.16 111.98 3fbg n TYR 172 Ca 0.13 -0.43 0.00 0.00 -0.01 0.00 0.00 57.90 57.59 3fbg n TYR 172 Cb 0.35 -0.20 0.00 0.00 -0.02 0.00 0.00 39.34 39.47 3fbg n TYR 172 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3fbg n GLY 173 N 0.87 0.63 3.89 2.72 0.00 -0.66 -4.41 105.19 108.23 3fbg n GLY 173 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 3fbg n GLY 173 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fbg s LEU 174 N 0.00 3.84 0.14 0.99 1.02 -0.62 -3.92 118.68 120.14 3fbg s LEU 174 Ca 0.00 0.94 -0.30 0.00 0.02 0.00 0.00 54.13 54.79 3fbg s LEU 174 Cb 0.00 -3.82 -0.07 0.00 0.02 0.00 0.00 46.19 42.32 3fbg s LEU 174 CO 0.00 -0.39 0.95 -0.60 0.02 0.00 0.00 176.35 176.33 3fbg s ARG 175 N -4.04 4.74 -0.15 1.70 3.52 -0.64 -4.34 118.95 119.73 3fbg s ARG 175 Ca 0.48 1.45 0.02 0.00 -0.13 0.00 0.00 55.73 57.55 3fbg s ARG 175 Cb -0.10 -3.35 0.01 0.00 -1.56 0.00 0.00 34.95 29.95 3fbg s ARG 175 CO 0.35 0.29 -0.21 0.08 -0.81 0.00 0.00 175.30 175.00 3fbg s VAL 176 N -0.30 2.01 -0.16 7.11 1.01 -1.26 -1.14 120.40 127.67 3fbg s VAL 176 Ca 0.45 -0.94 -0.03 0.00 0.00 0.00 0.00 61.98 61.46 3fbg s VAL 176 Cb -0.24 -1.79 -0.02 0.00 0.00 0.00 0.00 36.38 34.32 3fbg s VAL 176 CO 0.30 0.54 -0.04 -0.63 0.00 0.00 0.00 175.10 175.27 3fbg s ILE 177 N 0.98 3.79 0.36 2.22 1.01 -0.04 -0.79 121.20 128.72 3fbg s ILE 177 Ca -0.03 -0.39 0.08 0.00 0.00 0.00 0.00 60.65 60.31 3fbg s ILE 177 Cb -0.15 -2.66 -0.07 0.00 0.01 0.00 0.00 42.46 39.59 3fbg s ILE 177 CO -0.05 0.48 -0.05 0.42 0.00 0.00 0.00 174.94 175.75 3fbg s THR 178 N 0.49 2.01 0.05 2.92 -4.23 -0.56 -0.83 115.64 115.50 3fbg s THR 178 Ca -0.04 -2.12 0.09 0.00 -1.18 0.00 0.00 61.69 58.44 3fbg s THR 178 Cb -0.14 -2.74 -0.03 0.00 1.34 0.00 0.00 72.50 70.92 3fbg s THR 178 CO 0.03 -0.14 -0.24 0.42 -0.54 0.00 0.00 174.62 174.16 3fbg s THR 179 N -2.74 2.38 -0.08 3.99 -4.23 -0.64 -1.10 115.64 113.21 3fbg s THR 179 Ca 0.33 -1.34 -0.25 0.00 -1.18 0.00 0.00 61.69 59.25 3fbg s THR 179 Cb 0.05 -1.96 0.06 0.00 1.34 0.00 0.00 72.50 71.99 3fbg s THR 179 CO 0.16 0.34 0.58 0.00 -0.54 0.00 0.00 174.62 175.16 3fbg s ALA 180 N -0.86 -1.48 0.00 3.99 0.00 -0.35 -0.66 121.76 122.40 3fbg s ALA 180 Ca 0.13 1.19 0.00 0.00 0.00 0.00 0.00 51.96 53.28 3fbg s ALA 180 Cb -0.10 -0.22 0.00 0.00 0.00 0.00 0.00 23.12 22.79 3fbg s ALA 180 CO 0.03 -0.32 0.59 -1.13 0.00 0.00 0.00 175.76 174.93 3fbg n SER 181 N 1.44 0.83 -4.03 0.00 3.41 -1.26 -4.19 113.62 109.83 3fbg n SER 181 Ca -0.18 -1.34 -0.08 0.00 -0.26 0.00 0.00 58.87 57.01 3fbg n SER 181 Cb 0.56 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.41 3fbg n SER 181 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fbg s ARG 182 N -0.34 0.49 0.23 4.33 1.70 -1.26 -5.04 118.95 119.05 3fbg s ARG 182 Ca 0.00 -0.94 -0.11 0.00 -0.47 0.00 0.00 55.73 54.22 3fbg s ARG 182 Cb 0.00 0.17 0.32 0.00 -0.57 0.00 0.00 34.95 34.88 3fbg s ARG 182 CO 0.00 -0.09 1.63 -0.97 -1.08 0.00 0.00 175.30 174.79 3fbg h ASN 183 N 3.80 -0.47 -0.39 -2.89 -0.73 -1.99 -1.70 115.58 111.21 3fbg h ASN 183 Ca -0.33 0.19 0.07 0.00 1.87 0.00 0.00 56.30 58.10 3fbg h ASN 183 Cb 1.17 0.36 -0.07 0.00 0.27 0.00 0.00 38.32 40.06 3fbg h ASN 183 CO 0.55 -0.19 -0.03 -0.33 -0.37 0.00 0.00 177.43 177.06 3fbg h GLU 184 N 0.05 0.07 -0.00 6.67 3.07 -2.00 -1.71 114.58 120.73 3fbg h GLU 184 Ca 0.35 -0.00 -0.19 0.00 -0.50 0.00 0.00 59.36 59.02 3fbg h GLU 184 Cb 0.57 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.46 3fbg h GLU 184 CO -0.65 0.05 -0.85 1.79 -1.40 0.00 0.00 179.01 177.95 3fbg h THR 185 N 0.07 1.49 -0.21 1.13 1.35 -1.82 -2.45 112.91 112.47 3fbg h THR 185 Ca 0.19 -2.56 -0.02 0.00 -0.55 0.00 0.00 66.41 63.47 3fbg h THR 185 Cb 0.28 2.42 -0.01 0.00 -1.73 0.00 0.00 68.15 69.11 3fbg h THR 185 CO -0.34 0.75 0.07 0.40 -0.25 0.00 0.00 175.52 176.14 3fbg h ILE 186 N 0.11 1.19 -0.79 6.82 2.04 -1.14 -1.62 117.51 124.11 3fbg h ILE 186 Ca -0.04 -0.58 -0.01 0.00 1.00 0.00 0.00 64.86 65.23 3fbg h ILE 186 Cb 1.46 1.17 -0.04 0.00 -0.74 0.00 0.00 36.82 38.68 3fbg h ILE 186 CO 0.13 0.19 0.47 -0.08 0.00 0.00 0.00 178.15 178.86 3fbg h GLU 187 N 0.17 1.08 -0.22 2.37 4.81 -1.31 -2.48 114.58 119.00 3fbg h GLU 187 Ca 0.07 -0.10 -0.06 0.00 -0.13 0.00 0.00 59.36 59.14 3fbg h GLU 187 Cb 0.22 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 3fbg h GLU 187 CO -0.00 0.76 -0.09 2.35 -0.73 0.00 0.00 179.01 181.30 3fbg h TRP 188 N 1.08 0.51 -0.51 0.92 2.91 -1.20 -1.39 115.95 118.27 3fbg h TRP 188 Ca 0.28 -0.12 -0.05 0.00 1.13 0.00 0.00 58.89 60.14 3fbg h TRP 188 Cb -0.03 -0.12 -0.02 0.00 -0.51 0.00 0.00 29.16 28.47 3fbg h TRP 188 CO -0.01 0.71 0.13 0.00 -1.03 0.00 0.00 178.44 178.25 3fbg h THR 189 N 0.16 1.21 -0.71 2.65 1.03 -1.28 0.15 112.91 116.12 3fbg h THR 189 Ca 0.05 -0.76 -0.01 0.00 -0.01 0.00 0.00 66.41 65.68 3fbg h THR 189 Cb 0.57 0.69 -0.03 0.00 -1.07 0.00 0.00 68.15 68.30 3fbg h THR 189 CO 0.03 0.28 0.42 0.11 -0.01 0.00 0.00 175.52 176.35 3fbg h LYS 190 N 0.75 0.97 -0.30 0.00 1.57 -1.27 -2.06 116.57 116.22 3fbg h LYS 190 Ca 0.17 -0.09 -0.05 0.00 -1.87 0.00 0.00 60.65 58.80 3fbg h LYS 190 Cb 0.27 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 3fbg h LYS 190 CO -0.00 0.70 -0.05 -0.22 -0.57 0.00 0.00 179.45 179.31 3fbg h LYS 191 N 0.97 0.47 0.00 3.15 3.64 0.03 -0.98 116.57 123.86 3fbg h LYS 191 Ca 0.25 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 3fbg h LYS 191 Cb -0.01 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 3fbg h LYS 191 CO -0.05 0.54 0.00 0.52 -2.27 0.00 0.00 179.45 178.19 3fbg h MET 192 N 0.45 0.00 0.00 1.90 2.86 -0.19 -3.46 114.93 116.49 3fbg h MET 192 Ca 0.09 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 3fbg h MET 192 Cb 0.37 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.03 3fbg h MET 192 CO 0.02 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.40 3fbg n GLY 193 N -0.07 1.16 3.65 8.32 0.00 -0.37 -4.02 105.19 113.85 3fbg n GLY 193 Ca 0.02 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.57 3fbg n GLY 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fbg n ALA 194 N -0.22 0.62 0.04 4.61 0.00 -0.83 -4.86 120.51 119.88 3fbg n ALA 194 Ca 0.00 0.44 -0.12 0.00 0.00 0.00 0.00 53.44 53.77 3fbg n ALA 194 Cb 0.00 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.22 3fbg n ALA 194 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3fbg h ASP 195 N 4.64 0.58 -3.67 0.00 3.32 -1.33 -3.44 116.42 116.52 3fbg h ASP 195 Ca -0.45 -0.39 -0.19 0.00 0.02 0.00 0.00 57.03 56.03 3fbg h ASP 195 Cb 1.29 -0.17 -0.27 0.00 0.22 0.00 0.00 39.33 40.39 3fbg h ASP 195 CO 0.79 1.14 -0.49 -0.63 -1.72 0.00 0.00 179.24 178.34 3fbg s ILE 196 N -3.60 -0.01 -0.10 0.35 1.01 -1.20 -5.05 121.20 112.59 3fbg s ILE 196 Ca -0.07 0.05 0.02 0.00 0.00 0.00 0.00 60.65 60.66 3fbg s ILE 196 Cb 0.10 -0.31 0.01 0.00 0.01 0.00 0.00 42.46 42.27 3fbg s ILE 196 CO 0.86 0.02 -0.17 -0.69 0.00 0.00 0.00 174.94 174.95 3fbg s VAL 197 N 0.47 1.64 0.32 2.92 1.01 -1.26 -1.49 120.40 124.00 3fbg s VAL 197 Ca -0.03 -0.74 0.09 0.00 0.00 0.00 0.00 61.98 61.30 3fbg s VAL 197 Cb -0.04 -1.47 -0.05 0.00 0.00 0.00 0.00 36.38 34.82 3fbg s VAL 197 CO -0.02 0.47 -0.00 -0.76 0.00 0.00 0.00 175.10 174.78 3fbg s LEU 198 N 0.78 3.02 -0.31 3.92 1.43 -0.26 -4.96 118.68 122.30 3fbg s LEU 198 Ca -0.10 -0.89 -0.08 0.00 -1.03 0.00 0.00 54.13 52.02 3fbg s LEU 198 Cb -0.16 -1.45 0.01 0.00 0.03 0.00 0.00 46.19 44.62 3fbg s LEU 198 CO 0.01 -0.16 0.12 0.21 0.23 0.00 0.00 176.35 176.77 3fbg s ASN 199 N -3.70 5.36 0.00 2.29 3.84 -1.26 -1.21 114.94 120.26 3fbg s ASN 199 Ca 0.34 -0.69 0.23 0.00 0.21 0.00 0.00 52.86 52.94 3fbg s ASN 199 Cb -0.02 -1.94 1.16 0.00 -0.55 0.00 0.00 41.25 39.90 3fbg s ASN 199 CO 0.19 -0.22 1.73 0.00 -2.79 0.00 0.00 177.10 176.02 3fbg n HIS 200 N 4.92 0.00 0.73 0.43 1.44 -1.26 -2.20 115.22 119.29 3fbg n HIS 200 Ca -0.14 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.70 3fbg n HIS 200 Cb 0.48 -0.25 0.41 0.00 0.12 0.00 0.00 29.99 30.75 3fbg n HIS 200 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 3fbg n LYS 201 N -1.25 0.19 -4.52 -1.40 4.01 -1.26 -4.85 118.16 109.07 3fbg n LYS 201 Ca 0.11 0.13 -0.26 0.00 -0.51 0.00 0.00 58.31 57.78 3fbg n LYS 201 Cb 0.17 -1.69 -0.10 0.00 -0.51 0.00 0.00 35.03 32.89 3fbg n LYS 201 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 3fbg s GLU 202 N -3.08 1.85 0.03 1.97 2.02 -0.93 -5.06 118.70 115.49 3fbg s GLU 202 Ca 0.11 -1.93 -0.34 0.00 0.02 0.00 0.00 54.97 52.84 3fbg s GLU 202 Cb 0.14 -1.73 -0.12 0.00 0.10 0.00 0.00 34.13 32.53 3fbg s GLU 202 CO 0.61 0.13 1.78 0.45 0.02 0.00 0.00 175.26 178.25 3fbg n SER 203 N -0.82 3.44 0.11 -0.19 2.88 -1.26 -4.84 113.62 112.94 3fbg n SER 203 Ca -0.05 1.01 -0.20 0.00 -1.33 0.00 0.00 58.87 58.30 3fbg n SER 203 Cb 0.63 -1.42 -0.13 0.00 -0.75 0.00 0.00 64.21 62.54 3fbg n SER 203 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 3fbg h LEU 204 N 8.09 0.65 -1.32 2.46 3.38 -1.91 -2.81 115.31 123.85 3fbg h LEU 204 Ca -0.47 -0.66 -0.03 0.00 0.09 0.00 0.00 57.88 56.81 3fbg h LEU 204 Cb 1.26 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 3fbg h LEU 204 CO 0.93 1.51 0.17 0.25 0.09 0.00 0.00 178.44 181.38 3fbg h LEU 205 N 0.15 0.58 -0.50 1.67 5.85 -1.94 -0.24 115.31 120.87 3fbg h LEU 205 Ca -0.18 -0.06 -0.16 0.00 0.84 0.00 0.00 57.88 58.32 3fbg h LEU 205 Cb 1.99 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.87 3fbg h LEU 205 CO 0.23 0.53 -0.47 -1.13 -0.34 0.00 0.00 178.44 177.26 3fbg h ASN 206 N 0.63 0.76 -0.73 1.25 -0.73 -1.93 -1.01 115.58 113.83 3fbg h ASN 206 Ca 0.15 -0.37 -0.01 0.00 1.87 0.00 0.00 56.30 57.94 3fbg h ASN 206 Cb 0.14 -0.22 -0.03 0.00 0.27 0.00 0.00 38.32 38.48 3fbg h ASN 206 CO -0.01 1.11 0.43 1.56 -0.37 0.00 0.00 177.43 180.14 3fbg h GLN 207 N 0.56 0.99 -0.21 6.67 4.20 -1.15 -1.37 115.11 124.79 3fbg h GLN 207 Ca 0.03 -0.10 -0.00 0.00 0.06 0.00 0.00 58.65 58.64 3fbg h GLN 207 Cb 1.02 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.59 3fbg h GLN 207 CO 0.10 0.71 0.13 0.74 -0.67 0.00 0.00 178.83 179.83 3fbg h PHE 208 N 0.99 0.28 -0.52 2.96 -1.00 -0.55 -1.61 116.94 117.49 3fbg h PHE 208 Ca 0.26 -0.00 -0.03 0.00 2.81 0.00 0.00 57.97 61.00 3fbg h PHE 208 Cb -0.02 -0.09 -0.02 0.00 3.61 0.00 0.00 35.95 39.43 3fbg h PHE 208 CO -0.01 0.22 0.20 0.87 -1.61 0.00 0.00 178.31 177.98 3fbg h LYS 209 N 0.25 0.79 0.00 1.51 6.56 -1.01 0.84 116.57 125.51 3fbg h LYS 209 Ca 0.08 -0.15 -0.04 0.00 -1.06 0.00 0.00 60.65 59.47 3fbg h LYS 209 Cb 0.03 -0.12 -0.01 0.00 -0.57 0.00 0.00 32.23 31.56 3fbg h LYS 209 CO -0.01 0.70 -0.21 1.79 -2.06 0.00 0.00 179.45 179.66 3fbg h THR 210 N 0.71 0.37 -0.02 -0.16 1.35 -1.22 -2.76 112.91 111.17 3fbg h THR 210 Ca 0.17 -1.45 0.00 0.00 -0.55 0.00 0.00 66.41 64.58 3fbg h THR 210 Cb 0.21 2.13 0.00 0.00 -1.73 0.00 0.00 68.15 68.76 3fbg h THR 210 CO -0.01 0.20 -0.23 0.00 -0.25 0.00 0.00 175.52 175.23 3fbg n GLN 211 N -3.17 1.70 -1.89 4.72 6.02 -0.61 -4.97 117.38 119.17 3fbg n GLN 211 Ca 0.03 -1.37 -0.04 0.00 -0.01 0.00 0.00 57.00 55.60 3fbg n GLN 211 Cb 0.59 -1.47 -0.00 0.00 1.02 0.00 0.00 30.24 30.38 3fbg n GLN 211 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3fbg n GLY 212 N 1.37 0.30 3.66 1.08 0.00 0.13 -4.99 105.19 106.75 3fbg n GLY 212 Ca 0.12 -0.76 -0.41 0.00 0.00 0.00 0.00 46.02 44.97 3fbg n GLY 212 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fbg s ILE 213 N -2.18 4.88 0.54 -0.61 1.01 -0.29 -5.04 121.20 119.51 3fbg s ILE 213 Ca 0.00 1.57 -0.20 0.00 0.00 0.00 0.00 60.65 62.02 3fbg s ILE 213 Cb 0.00 -4.11 -0.06 0.00 0.01 0.00 0.00 42.46 38.30 3fbg s ILE 213 CO 0.00 0.01 1.17 -1.61 0.00 0.00 0.00 174.94 174.51 3fbg s GLU 214 N 2.31 3.34 0.26 2.79 2.02 -1.26 -4.70 118.70 123.46 3fbg s GLU 214 Ca 0.36 1.74 -0.30 0.00 0.02 0.00 0.00 54.97 56.79 3fbg s GLU 214 Cb -0.16 -2.09 -0.14 0.00 0.10 0.00 0.00 34.13 31.84 3fbg s GLU 214 CO 0.11 -0.89 1.29 1.28 0.02 0.00 0.00 175.26 177.07 3fbg n LEU 215 N -1.17 2.76 -4.86 1.80 4.77 -1.26 -4.95 117.00 114.09 3fbg n LEU 215 Ca 0.11 1.16 -0.31 0.00 -0.03 0.00 0.00 56.01 56.94 3fbg n LEU 215 Cb 0.50 -1.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.20 3fbg n LEU 215 CO 0.45 -0.75 0.71 0.68 -1.33 0.00 0.00 177.39 177.14 3fbg s VAL 216 N -0.44 4.58 0.16 4.08 -7.23 -0.67 -4.36 120.40 116.52 3fbg s VAL 216 Ca 0.65 0.96 -0.03 0.00 -1.81 0.00 0.00 61.98 61.75 3fbg s VAL 216 Cb -0.67 -3.78 -0.13 0.00 0.56 0.00 0.00 36.38 32.36 3fbg s VAL 216 CO 0.54 -0.98 1.38 0.44 -0.31 0.00 0.00 175.10 176.18 3fbg h ASP 217 N 0.03 0.53 -3.66 4.85 3.32 -1.59 0.46 116.42 120.35 3fbg h ASP 217 Ca -0.45 -0.37 -0.19 0.00 0.02 0.00 0.00 57.03 56.04 3fbg h ASP 217 Cb 1.19 -0.16 -0.27 0.00 0.22 0.00 0.00 39.33 40.31 3fbg h ASP 217 CO 0.61 1.14 -0.50 -0.31 -1.72 0.00 0.00 179.24 178.46 3fbg s TYR 218 N -3.51 -0.24 -0.07 4.55 2.02 -1.14 -2.98 117.35 115.98 3fbg s TYR 218 Ca -0.06 0.59 0.02 0.00 -0.37 0.00 0.00 57.07 57.25 3fbg s TYR 218 Cb 0.10 0.05 0.02 0.00 -0.40 0.00 0.00 41.96 41.72 3fbg s TYR 218 CO 0.85 -0.14 -0.11 0.08 -1.57 0.00 0.00 175.55 174.66 3fbg s VAL 219 N 0.48 1.07 0.09 0.71 1.01 -0.62 -0.90 120.40 122.24 3fbg s VAL 219 Ca -0.03 -0.43 0.04 0.00 0.00 0.00 0.00 61.98 61.56 3fbg s VAL 219 Cb -0.05 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.30 3fbg s VAL 219 CO -0.02 0.35 -0.11 0.72 0.00 0.00 0.00 175.10 176.03 3fbg s PHE 220 N 0.79 1.10 -0.10 5.22 -0.12 -0.44 -0.99 117.98 123.44 3fbg s PHE 220 Ca -0.12 -0.59 0.01 0.00 -0.05 0.00 0.00 56.93 56.18 3fbg s PHE 220 Cb -0.15 -0.60 -0.02 0.00 -0.63 0.00 0.00 43.02 41.61 3fbg s PHE 220 CO 0.02 0.02 -0.13 0.00 -0.05 0.00 0.00 175.22 175.08 3fbg n THR 222 N 3.07 0.00 -3.63 0.00 -2.24 -0.90 -2.52 114.28 108.06 3fbg n THR 222 Ca -0.18 -0.39 -0.13 0.00 -2.27 0.00 0.00 64.05 61.09 3fbg n THR 222 Cb 0.53 1.15 -0.07 0.00 -2.10 0.00 0.00 70.33 69.84 3fbg n THR 222 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3fbg s PHE 223 N -1.50 -0.80 -1.21 4.78 5.36 -1.26 -4.73 117.98 118.63 3fbg s PHE 223 Ca 0.10 1.90 -0.04 0.00 -0.96 0.00 0.00 56.93 57.93 3fbg s PHE 223 Cb 0.10 0.31 -0.02 0.00 -0.34 0.00 0.00 43.02 43.07 3fbg s PHE 223 CO 0.29 -0.38 0.82 -1.71 -1.46 0.00 0.00 175.22 172.78 3fbg n ASN 224 N 2.83 -3.07 0.26 6.13 2.85 -1.26 -4.91 115.26 118.09 3fbg n ASN 224 Ca -0.15 -0.78 0.09 0.00 -0.11 0.00 0.00 54.58 53.63 3fbg n ASN 224 Cb 0.55 -4.43 0.67 0.00 1.24 0.00 0.00 39.78 37.81 3fbg n ASN 224 CO 0.00 0.00 0.00 0.74 -2.11 0.00 0.00 177.26 175.89 3fbg h THR 225 N -1.71 0.93 -0.97 -0.44 2.02 -1.88 -1.79 112.91 109.07 3fbg h THR 225 Ca -0.61 -0.07 0.03 0.00 0.77 0.00 0.00 66.41 66.53 3fbg h THR 225 Cb 1.34 1.04 -0.06 0.00 -1.74 0.00 0.00 68.15 68.74 3fbg h THR 225 CO 0.51 0.02 0.64 0.44 0.37 0.00 0.00 175.52 177.50 3fbg h ASP 226 N 0.00 1.07 0.16 4.18 3.32 -1.90 -0.21 116.42 123.04 3fbg h ASP 226 Ca -0.00 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 56.96 3fbg h ASP 226 Cb 0.04 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 3fbg h ASP 226 CO 0.00 0.73 -0.28 -0.03 -1.72 0.00 0.00 179.24 177.95 3fbg h MET 227 N 1.24 0.20 -0.01 3.56 4.05 -1.70 -3.29 114.93 118.97 3fbg h MET 227 Ca 0.38 -0.07 0.00 0.00 -0.28 0.00 0.00 59.70 59.74 3fbg h MET 227 Cb -0.01 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 30.77 3fbg h MET 227 CO -0.12 0.46 -0.01 0.66 0.23 0.00 0.00 176.91 178.13 3fbg n TYR 228 N -4.15 0.00 -0.15 1.39 4.01 -0.84 -4.65 117.16 112.77 3fbg n TYR 228 Ca -0.01 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.64 3fbg n TYR 228 Cb 0.37 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.37 3fbg n TYR 228 CO 0.00 0.00 0.00 -0.92 -0.46 0.00 0.00 176.86 175.48 3fbg h TYR 229 N 2.31 -1.14 -0.25 -0.72 3.20 -1.13 0.31 116.97 119.55 3fbg h TYR 229 Ca 0.00 0.07 -0.08 0.00 3.14 0.00 0.00 58.73 61.86 3fbg h TYR 229 Cb 0.50 0.56 -0.01 0.00 1.54 0.00 0.00 36.73 39.32 3fbg h TYR 229 CO 0.00 -0.42 -0.20 -0.44 -1.64 0.00 0.00 178.16 175.46 3fbg h ASP 230 N -0.27 0.44 -0.35 -2.11 3.32 -1.84 -2.63 116.42 112.97 3fbg h ASP 230 Ca 0.17 -0.13 0.01 0.00 0.02 0.00 0.00 57.03 57.09 3fbg h ASP 230 Cb 0.57 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.98 3fbg h ASP 230 CO -0.60 0.66 0.23 0.44 -1.72 0.00 0.00 179.24 178.24 3fbg h ASP 231 N 0.41 0.38 -0.79 6.45 3.32 -1.73 -1.69 116.42 122.76 3fbg h ASP 231 Ca 0.07 -0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.13 3fbg h ASP 231 Cb 0.58 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 40.00 3fbg h ASP 231 CO 0.04 0.28 0.53 0.24 -1.72 0.00 0.00 179.24 178.60 3fbg h MET 232 N 0.46 1.02 -0.38 3.56 2.86 -0.65 -0.62 114.93 121.18 3fbg h MET 232 Ca 0.13 -0.06 -0.11 0.00 -2.06 0.00 0.00 59.70 57.60 3fbg h MET 232 Cb -0.04 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 31.38 3fbg h MET 232 CO -0.04 0.67 -0.21 0.82 1.06 0.00 0.00 176.91 179.21 3fbg h ILE 233 N 1.05 1.27 -0.13 -1.22 2.04 -1.24 -2.52 117.51 116.75 3fbg h ILE 233 Ca 0.30 -1.31 -0.14 0.00 1.00 0.00 0.00 64.86 64.72 3fbg h ILE 233 Cb -0.08 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 3fbg h ILE 233 CO -0.07 0.43 -0.51 1.56 0.00 0.00 0.00 178.15 179.56 3fbg h GLN 234 N 0.65 0.37 0.00 2.37 4.20 -0.30 -3.29 115.11 119.11 3fbg h GLN 234 Ca 0.09 -0.21 0.00 0.00 0.06 0.00 0.00 58.65 58.59 3fbg h GLN 234 Cb 0.71 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.50 3fbg h GLN 234 CO 0.05 0.79 -1.02 1.28 -0.67 0.00 0.00 178.83 179.27 3fbg n LEU 235 N -3.96 0.62 -4.85 1.46 4.77 -0.35 -4.91 117.00 109.78 3fbg n LEU 235 Ca -0.02 0.03 -0.33 0.00 -0.03 0.00 0.00 56.01 55.66 3fbg n LEU 235 Cb 0.56 -0.10 -0.06 0.00 -2.33 0.00 0.00 43.42 41.49 3fbg n LEU 235 CO 0.44 0.02 0.36 0.54 -1.33 0.00 0.00 177.39 177.42 3fbg s VAL 236 N -3.22 4.74 0.78 4.08 0.11 -0.97 -1.67 120.40 124.26 3fbg s VAL 236 Ca 0.03 0.85 -0.12 0.00 -2.93 0.00 0.00 61.98 59.82 3fbg s VAL 236 Cb 0.14 -3.64 0.06 0.00 -1.53 0.00 0.00 36.38 31.41 3fbg s VAL 236 CO 0.80 -0.10 1.12 -1.59 -3.33 0.00 0.00 175.10 171.99 3fbg s LYS 237 N -2.79 2.08 0.25 1.54 -2.85 0.15 -4.76 119.74 113.36 3fbg s LYS 237 Ca 0.51 1.34 -0.31 0.00 -1.00 0.00 0.00 55.97 56.51 3fbg s LYS 237 Cb -0.11 -1.86 -0.14 0.00 -2.06 0.00 0.00 37.83 33.66 3fbg s LYS 237 CO 0.19 -1.80 1.30 -2.30 0.10 0.00 0.00 175.35 172.84 3fbg n PRO 238 N -3.41 1.84 -1.07 1.78 -0.02 -1.26 -0.53 135.00 132.32 3fbg n PRO 238 Ca 0.10 0.65 -0.02 0.00 -2.02 0.00 0.00 63.50 62.21 3fbg n PRO 238 Cb 0.52 -2.24 -0.01 0.00 -0.02 0.00 0.00 33.50 31.75 3fbg n PRO 238 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3fbg n ARG 239 N 1.59 -0.95 -0.70 -0.52 1.74 0.17 -5.00 116.66 112.98 3fbg n ARG 239 Ca 0.11 0.40 -0.17 0.00 -0.77 0.00 0.00 57.85 57.41 3fbg n ARG 239 Cb 0.31 -4.20 0.14 0.00 -1.02 0.00 0.00 32.46 27.69 3fbg n ARG 239 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3fbg n GLY 240 N -1.14 -2.35 2.81 -0.13 0.00 0.31 -4.75 105.19 99.94 3fbg n GLY 240 Ca -0.02 -1.52 -0.19 0.00 0.00 0.00 0.00 46.02 44.28 3fbg n GLY 240 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3fbg s HIS 241 N -2.24 0.46 0.18 1.61 2.46 -1.16 -2.07 115.29 114.53 3fbg s HIS 241 Ca 0.41 -0.06 0.11 0.00 0.47 0.00 0.00 55.06 55.99 3fbg s HIS 241 Cb -0.03 -0.56 -0.04 0.00 -0.13 0.00 0.00 32.58 31.81 3fbg s HIS 241 CO 0.31 -0.20 -0.25 0.96 -2.47 0.00 0.00 174.74 173.09 3fbg s ILE 242 N 1.35 2.34 0.10 0.89 -4.36 -0.25 -1.59 121.20 119.68 3fbg s ILE 242 Ca -0.05 -1.95 -0.19 0.00 -0.26 0.00 0.00 60.65 58.19 3fbg s ILE 242 Cb -0.13 -2.10 0.05 0.00 1.25 0.00 0.00 42.46 41.52 3fbg s ILE 242 CO -0.02 -0.06 0.46 0.00 0.24 0.00 0.00 174.94 175.56 3fbg s ALA 243 N -1.51 -1.15 0.14 2.27 0.00 -0.16 -1.22 121.76 120.12 3fbg s ALA 243 Ca 0.19 0.26 0.06 0.00 0.00 0.00 0.00 51.96 52.47 3fbg s ALA 243 Cb -0.08 0.58 -0.04 0.00 0.00 0.00 0.00 23.12 23.58 3fbg s ALA 243 CO 0.09 -0.60 -0.14 -0.08 0.00 0.00 0.00 175.76 175.03 3fbg s THR 244 N -3.22 1.38 -0.49 0.00 -1.32 -0.68 -1.45 115.64 109.87 3fbg s THR 244 Ca -0.01 -1.82 0.05 0.00 -1.21 0.00 0.00 61.69 58.70 3fbg s THR 244 Cb 0.00 -1.64 0.10 0.00 -1.51 0.00 0.00 72.50 69.46 3fbg s THR 244 CO -0.08 -0.46 0.95 2.30 -2.21 0.00 0.00 174.62 175.11 3fbg n ILE 245 N 0.35 0.63 -4.38 5.08 -5.35 -1.05 -1.51 119.36 113.14 3fbg n ILE 245 Ca -0.14 -0.82 -0.25 0.00 -0.27 0.00 0.00 62.75 61.27 3fbg n ILE 245 Cb 0.58 0.72 -0.13 0.00 -1.74 0.00 0.00 39.64 39.07 3fbg n ILE 245 CO 0.00 0.00 0.00 0.68 -1.76 0.00 0.00 176.55 175.47 3fbg s VAL 246 N -0.78 1.80 0.54 7.28 -7.23 -1.26 -4.96 120.40 115.79 3fbg s VAL 246 Ca 0.09 -1.51 -0.20 0.00 -1.81 0.00 0.00 61.98 58.54 3fbg s VAL 246 Cb 0.05 -1.61 -0.06 0.00 0.56 0.00 0.00 36.38 35.32 3fbg s VAL 246 CO 0.07 0.02 1.16 0.00 -0.31 0.00 0.00 175.10 176.03 3fbg s ALA 247 N -1.07 2.70 0.26 1.32 0.00 -1.26 -4.82 121.76 118.88 3fbg s ALA 247 Ca 0.08 0.90 -0.29 0.00 0.00 0.00 0.00 51.96 52.64 3fbg s ALA 247 Cb -0.10 -3.39 -0.09 0.00 0.00 0.00 0.00 23.12 19.54 3fbg s ALA 247 CO 0.04 -0.86 0.96 -0.06 0.00 0.00 0.00 175.76 175.85 3fbg s PHE 248 N -1.69 3.89 0.12 0.00 0.08 -1.26 -4.72 117.98 114.41 3fbg s PHE 248 Ca 0.73 1.87 -0.12 0.00 0.12 0.00 0.00 56.93 59.53 3fbg s PHE 248 Cb -0.26 -3.02 -0.10 0.00 -0.57 0.00 0.00 43.02 39.07 3fbg s PHE 248 CO 0.30 0.28 1.38 0.93 -0.10 0.00 0.00 175.22 178.01 3fbg h GLU 249 N 3.99 0.86 -6.65 0.44 5.08 -1.99 -3.47 114.58 112.84 3fbg h GLU 249 Ca -0.45 -0.58 -0.66 0.00 -1.00 0.00 0.00 59.36 56.66 3fbg h GLU 249 Cb 1.20 0.08 -0.18 0.00 0.50 0.00 0.00 28.75 30.36 3fbg h GLU 249 CO 0.67 1.21 -0.79 -0.80 -1.00 0.00 0.00 179.01 178.31 3fbg s ASN 250 N -6.99 3.88 0.90 1.42 0.01 -1.26 -5.13 114.94 107.77 3fbg s ASN 250 Ca -0.11 -0.62 -0.11 0.00 -0.71 0.00 0.00 52.86 51.32 3fbg s ASN 250 Cb 0.10 -0.53 0.13 0.00 0.41 0.00 0.00 41.25 41.36 3fbg s ASN 250 CO 0.90 0.15 1.16 0.47 -1.51 0.00 0.00 177.10 178.27 3fbg n ASP 251 N 0.53 0.49 -4.27 -1.22 8.00 -1.26 -5.02 116.55 113.80 3fbg n ASP 251 Ca -0.14 0.46 -0.15 0.00 0.71 0.00 0.00 54.79 55.66 3fbg n ASP 251 Cb 0.54 -1.49 -0.10 0.00 -0.02 0.00 0.00 41.12 40.05 3fbg n ASP 251 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3fbg s GLN 252 N -4.52 1.11 -0.58 -1.24 -1.52 -1.26 -5.10 119.66 106.55 3fbg s GLN 252 Ca 0.68 -1.46 -0.25 0.00 -1.95 0.00 0.00 55.36 52.39 3fbg s GLN 252 Cb -0.24 -0.76 0.04 0.00 -0.22 0.00 0.00 33.01 31.83 3fbg s GLN 252 CO 0.56 0.11 1.03 0.34 -0.25 0.00 0.00 175.29 177.08 3fbg s ASP 253 N -3.12 6.33 0.19 5.90 2.15 -1.26 -4.88 116.67 121.99 3fbg s ASP 253 Ca 0.17 -0.32 0.23 0.00 0.43 0.00 0.00 52.55 53.06 3fbg s ASP 253 Cb 0.01 -2.47 0.91 0.00 -0.30 0.00 0.00 42.92 41.07 3fbg s ASP 253 CO 0.02 -1.35 1.70 0.18 -0.17 0.00 0.00 175.17 175.55 3fbg n LEU 254 N 7.85 0.55 0.12 -1.34 4.77 -1.26 -2.08 117.00 125.62 3fbg n LEU 254 Ca 0.03 0.61 0.11 0.00 -0.03 0.00 0.00 56.01 56.73 3fbg n LEU 254 Cb 0.48 -0.51 0.48 0.00 -2.33 0.00 0.00 43.42 41.54 3fbg n LEU 254 CO 0.66 -0.41 0.83 0.59 -1.33 0.00 0.00 177.39 177.74 3fbg n ASN 255 N -2.08 0.58 0.28 -1.43 3.02 -1.26 -2.19 115.26 112.17 3fbg n ASN 255 Ca 0.03 0.66 0.18 0.00 -0.03 0.00 0.00 54.58 55.43 3fbg n ASN 255 Cb 0.26 -0.78 0.80 0.00 -0.61 0.00 0.00 39.78 39.46 3fbg n ASN 255 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3fbg h ALA 256 N 2.24 1.00 0.00 5.41 0.00 -1.83 -1.82 119.26 124.25 3fbg h ALA 256 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3fbg h ALA 256 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3fbg h ALA 256 CO 0.00 0.00 -0.07 1.28 0.00 0.00 0.00 179.25 180.46 3fbg n LEU 257 N -2.99 0.38 -0.04 0.00 4.77 -0.93 -4.36 117.00 113.84 3fbg n LEU 257 Ca -0.00 0.48 -0.14 0.00 -0.03 0.00 0.00 56.01 56.32 3fbg n LEU 257 Cb 0.23 -0.40 -0.09 0.00 -2.33 0.00 0.00 43.42 40.84 3fbg n LEU 257 CO 0.24 -0.06 0.53 0.50 -1.33 0.00 0.00 177.39 177.27 3fbg h LYS 258 N 0.00 0.28 -0.91 3.23 3.64 -1.49 -0.18 116.57 121.13 3fbg h LYS 258 Ca 0.00 -0.18 0.10 0.00 -1.27 0.00 0.00 60.65 59.30 3fbg h LYS 258 Cb 0.60 0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 32.38 3fbg h LYS 258 CO 0.00 0.78 0.59 -1.35 -2.27 0.00 0.00 179.45 177.20 3fbg h PRO 259 N -0.19 0.87 -0.72 1.90 0.11 -1.77 -0.29 132.00 131.91 3fbg h PRO 259 Ca 0.00 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.06 3fbg h PRO 259 Cb 0.78 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.70 3fbg h PRO 259 CO 0.04 0.58 0.00 1.63 -0.21 0.00 0.00 178.00 180.04 3fbg n LYS 260 N -4.54 2.78 -3.71 1.05 5.02 -1.25 -4.97 118.16 112.54 3fbg n LYS 260 Ca 0.16 -2.63 -0.22 0.00 -2.02 0.00 0.00 58.31 53.59 3fbg n LYS 260 Cb 0.33 -1.60 0.03 0.00 -0.02 0.00 0.00 35.03 33.77 3fbg n LYS 260 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3fbg n SER 261 N 1.58 -1.60 -4.90 4.39 2.88 -0.12 0.44 113.62 116.28 3fbg n SER 261 Ca 0.24 -0.86 -0.28 0.00 -1.33 0.00 0.00 58.87 56.65 3fbg n SER 261 Cb 0.64 -3.92 -0.00 0.00 -0.75 0.00 0.00 64.21 60.18 3fbg n SER 261 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3fbg s LEU 262 N -6.64 3.60 0.03 2.46 1.43 -0.11 -4.04 118.68 115.41 3fbg s LEU 262 Ca 0.06 0.97 0.03 0.00 -1.03 0.00 0.00 54.13 54.15 3fbg s LEU 262 Cb -0.02 -3.93 -0.04 0.00 0.03 0.00 0.00 46.19 42.23 3fbg s LEU 262 CO 0.82 -0.60 0.01 -0.44 0.23 0.00 0.00 176.35 176.37 3fbg s SER 263 N -4.11 5.12 -0.06 2.29 0.01 -0.88 -4.91 113.70 111.17 3fbg s SER 263 Ca 0.48 -0.06 0.01 0.00 1.31 0.00 0.00 55.95 57.69 3fbg s SER 263 Cb -0.10 -1.31 0.02 0.00 0.21 0.00 0.00 66.02 64.84 3fbg s SER 263 CO 0.46 0.24 -0.05 0.12 0.41 0.00 0.00 173.24 174.42 3fbg s PHE 264 N -1.17 0.87 0.00 2.43 5.36 -1.25 -1.09 117.98 123.12 3fbg s PHE 264 Ca 0.22 -0.28 0.08 0.00 -0.96 0.00 0.00 56.93 56.00 3fbg s PHE 264 Cb -0.12 -0.77 -0.02 0.00 -0.34 0.00 0.00 43.02 41.77 3fbg s PHE 264 CO 0.13 -0.24 -0.26 -1.12 -1.46 0.00 0.00 175.22 172.27 3fbg s SER 265 N 1.10 3.14 -0.40 6.13 0.01 -0.36 -5.00 113.70 118.32 3fbg s SER 265 Ca -0.08 -0.50 -0.09 0.00 1.31 0.00 0.00 55.95 56.59 3fbg s SER 265 Cb -0.14 -0.35 0.07 0.00 0.21 0.00 0.00 66.02 65.81 3fbg s SER 265 CO -0.01 0.30 0.23 -2.28 0.41 0.00 0.00 173.24 171.89 3fbg s HIS 266 N -0.69 3.33 -0.03 2.43 2.46 -1.26 -1.69 115.29 119.83 3fbg s HIS 266 Ca 0.11 -1.50 -0.29 0.00 0.47 0.00 0.00 55.06 53.85 3fbg s HIS 266 Cb -0.10 -2.82 -0.03 0.00 -0.13 0.00 0.00 32.58 29.51 3fbg s HIS 266 CO 0.00 -0.82 0.94 -2.00 -2.47 0.00 0.00 174.74 170.39 3fbg s GLU 267 N 1.42 4.51 -0.17 2.88 2.56 -0.57 -5.00 118.70 124.33 3fbg s GLU 267 Ca 0.02 1.32 -0.03 0.00 0.00 0.00 0.00 54.97 56.29 3fbg s GLU 267 Cb -0.22 -3.48 0.06 0.00 2.00 0.00 0.00 34.13 32.49 3fbg s GLU 267 CO 0.02 -0.08 0.04 0.12 -0.56 0.00 0.00 175.26 174.80 3fbg s PHE 268 N 1.18 0.81 0.43 5.30 5.36 -1.26 -4.63 117.98 125.17 3fbg s PHE 268 Ca 0.49 -0.65 0.24 0.00 -0.96 0.00 0.00 56.93 56.05 3fbg s PHE 268 Cb -0.20 -0.93 1.36 0.00 -0.34 0.00 0.00 43.02 42.92 3fbg s PHE 268 CO 0.24 -0.55 2.06 1.98 -1.46 0.00 0.00 175.22 177.50 3fbg h MET 269 N 8.29 0.00 -0.03 10.12 1.85 -1.95 -2.42 114.93 130.79 3fbg h MET 269 Ca -0.16 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 58.93 3fbg h MET 269 Cb 1.13 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.16 3fbg h MET 269 CO 0.32 0.13 0.00 1.19 -0.40 0.00 0.00 176.91 178.15 3fbg n PHE 270 N -3.81 0.02 -0.35 1.39 3.72 -1.26 -4.02 117.46 113.15 3fbg n PHE 270 Ca -0.02 -0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 3fbg n PHE 270 Cb 0.23 0.00 0.14 0.00 -0.94 0.00 0.00 39.48 38.91 3fbg n PHE 270 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3fbg h ALA 271 N 4.31 1.28 0.34 4.37 0.00 -1.86 -1.21 119.26 126.49 3fbg h ALA 271 Ca 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3fbg h ALA 271 Cb 0.48 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3fbg h ALA 271 CO 0.00 0.48 -0.16 0.00 0.00 0.00 0.00 179.25 179.56 3fbg h ARG 272 N 1.18 -0.44 -0.11 0.00 3.08 -1.81 -2.12 114.38 114.17 3fbg h ARG 272 Ca 0.39 0.03 -0.13 0.00 0.07 0.00 0.00 59.98 60.34 3fbg h ARG 272 Cb 0.04 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 3fbg h ARG 272 CO -0.14 -0.19 -0.52 -1.00 -1.07 0.00 0.00 179.97 177.05 3fbg h PRO 273 N -0.62 0.30 0.00 0.04 0.13 -1.80 -1.33 132.00 128.71 3fbg h PRO 273 Ca -0.05 -0.18 -0.09 0.00 -0.87 0.00 0.00 66.00 64.81 3fbg h PRO 273 Cb 0.45 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.58 3fbg h PRO 273 CO 0.08 0.75 -0.44 -0.07 -0.23 0.00 0.00 178.00 178.08 3fbg h LEU 274 N 0.23 0.00 -2.02 1.56 3.38 -1.21 -2.25 115.31 115.01 3fbg h LEU 274 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3fbg h LEU 274 Cb 1.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.75 3fbg h LEU 274 CO 0.08 0.44 0.00 0.59 0.09 0.00 0.00 178.44 179.65 3fbg n ASN 275 N -3.99 3.01 -4.18 -0.43 3.02 -0.80 -4.97 115.26 106.92 3fbg n ASN 275 Ca -0.02 -1.93 -0.30 0.00 -0.03 0.00 0.00 54.58 52.30 3fbg n ASN 275 Cb 0.47 -0.22 -0.07 0.00 -0.61 0.00 0.00 39.78 39.35 3fbg n ASN 275 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3fbg n GLN 276 N 1.20 -1.68 -1.47 3.52 1.13 -0.61 -4.87 117.38 114.60 3fbg n GLN 276 Ca 0.19 0.20 -0.34 0.00 -1.94 0.00 0.00 57.00 55.10 3fbg n GLN 276 Cb 0.53 -3.85 0.09 0.00 0.11 0.00 0.00 30.24 27.12 3fbg n GLN 276 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 3fbg s THR 277 N -4.20 2.40 0.59 5.09 -4.23 -0.60 -4.89 115.64 109.80 3fbg s THR 277 Ca 0.03 0.20 0.29 0.00 -1.18 0.00 0.00 61.69 61.03 3fbg s THR 277 Cb -0.01 -2.76 0.36 0.00 1.34 0.00 0.00 72.50 71.42 3fbg s THR 277 CO 0.96 -0.11 2.15 -2.24 -0.54 0.00 0.00 174.62 174.85 3fbg h ASP 278 N -0.25 0.00 -0.55 3.99 2.03 -1.92 -2.62 116.42 117.11 3fbg h ASP 278 Ca -0.48 0.00 -0.24 0.00 -0.73 0.00 0.00 57.03 55.58 3fbg h ASP 278 Cb 1.29 0.00 -0.15 0.00 -0.83 0.00 0.00 39.33 39.65 3fbg h ASP 278 CO 0.50 0.00 0.15 -0.90 -1.03 0.00 0.00 179.24 177.97 3fbg n ASP 279 N -3.79 3.25 0.02 4.15 5.75 -1.26 -4.61 116.55 120.06 3fbg n ASP 279 Ca -0.00 -3.57 0.22 0.00 -0.01 0.00 0.00 54.79 51.43 3fbg n ASP 279 Cb 0.24 -0.69 0.72 0.00 -1.03 0.00 0.00 41.12 40.37 3fbg n ASP 279 CO 0.00 0.00 0.00 0.24 -0.11 0.00 0.00 177.20 177.33 3fbg h MET 280 N 1.31 0.00 -0.03 0.11 2.86 -1.79 -0.82 114.93 116.57 3fbg h MET 280 Ca 0.30 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.95 3fbg h MET 280 Cb 2.01 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 33.67 3fbg h MET 280 CO 0.59 0.00 0.10 0.97 1.06 0.00 0.00 176.91 179.62 3fbg h ILE 281 N 0.00 0.12 -0.66 -1.22 6.09 -1.82 -1.38 117.51 118.65 3fbg h ILE 281 Ca 0.26 0.00 0.14 0.00 -1.37 0.00 0.00 64.86 63.89 3fbg h ILE 281 Cb 1.29 0.91 -0.04 0.00 0.47 0.00 0.00 36.82 39.45 3fbg h ILE 281 CO -0.00 0.00 0.45 0.11 -3.07 0.00 0.00 178.15 175.64 3fbg h LYS 282 N 0.00 0.29 -0.19 2.19 1.79 -1.41 -0.53 116.57 118.71 3fbg h LYS 282 Ca 0.01 -0.02 -0.00 0.00 -2.18 0.00 0.00 60.65 58.46 3fbg h LYS 282 Cb 0.20 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.78 3fbg h LYS 282 CO -0.00 0.19 0.10 0.45 -1.08 0.00 0.00 179.45 179.11 3fbg h HIS 283 N 0.29 0.27 -0.50 -1.35 3.86 -1.45 -0.11 115.15 116.15 3fbg h HIS 283 Ca 0.32 -0.01 0.09 0.00 -1.16 0.00 0.00 60.37 59.61 3fbg h HIS 283 Cb 0.84 -0.08 -0.08 0.00 1.06 0.00 0.00 27.41 29.14 3fbg h HIS 283 CO -0.00 0.26 0.06 1.25 0.86 0.00 0.00 177.93 180.35 3fbg h HIS 284 N 0.20 0.07 -0.76 2.45 -0.00 -0.89 -1.44 115.15 114.79 3fbg h HIS 284 Ca 0.07 0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 60.45 3fbg h HIS 284 Cb 0.08 0.04 -0.04 0.00 -0.00 0.00 0.00 27.41 27.50 3fbg h HIS 284 CO -0.03 -0.06 0.40 0.93 -0.00 0.00 0.00 177.93 179.17 3fbg h GLU 285 N 0.18 1.07 -0.25 5.26 5.08 -0.81 0.67 114.58 125.78 3fbg h GLU 285 Ca 0.26 -0.14 -0.17 0.00 -1.00 0.00 0.00 59.36 58.31 3fbg h GLU 285 Cb 0.37 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 3fbg h GLU 285 CO -0.37 0.81 -0.53 1.88 -1.00 0.00 0.00 179.01 179.80 3fbg h TYR 286 N 1.06 0.90 -0.65 4.33 0.05 -0.76 -1.28 116.97 120.62 3fbg h TYR 286 Ca 0.27 -0.31 -0.08 0.00 0.05 0.00 0.00 58.73 58.65 3fbg h TYR 286 Cb 0.06 -0.17 -0.03 0.00 1.01 0.00 0.00 36.73 37.60 3fbg h TYR 286 CO 0.00 1.09 0.09 -0.07 -1.05 0.00 0.00 178.16 178.22 3fbg h LEU 287 N 0.56 1.04 -0.54 3.88 3.38 -0.89 -1.22 115.31 121.52 3fbg h LEU 287 Ca 0.02 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 57.68 3fbg h LEU 287 Cb 1.10 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 3fbg h LEU 287 CO 0.11 1.04 0.12 -0.08 0.09 0.00 0.00 178.44 179.72 3fbg h GLU 288 N 1.01 0.87 -0.79 1.13 4.81 -0.77 -0.60 114.58 120.24 3fbg h GLU 288 Ca 0.20 -0.21 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 3fbg h GLU 288 Cb 0.46 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.69 3fbg h GLU 288 CO 0.02 0.82 0.39 0.22 -0.73 0.00 0.00 179.01 179.73 3fbg h ASP 289 N 0.77 1.03 -0.39 1.04 3.58 -0.93 -0.41 116.42 121.09 3fbg h ASP 289 Ca 0.17 -0.13 0.01 0.00 0.42 0.00 0.00 57.03 57.50 3fbg h ASP 289 Cb 0.35 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 41.12 3fbg h ASP 289 CO 0.00 0.87 0.26 0.40 -2.88 0.00 0.00 179.24 177.89 3fbg h ILE 290 N 1.11 1.09 -0.69 2.25 2.04 -0.93 -0.22 117.51 122.17 3fbg h ILE 290 Ca 0.27 -0.18 0.05 0.00 1.00 0.00 0.00 64.86 66.00 3fbg h ILE 290 Cb 0.10 0.52 -0.05 0.00 -0.74 0.00 0.00 36.82 36.65 3fbg h ILE 290 CO -0.04 0.10 0.40 0.74 0.00 0.00 0.00 178.15 179.35 3fbg h THR 291 N 0.53 1.02 -0.33 -0.27 2.02 -0.73 0.16 112.91 115.30 3fbg h THR 291 Ca 0.15 -0.26 -0.05 0.00 0.77 0.00 0.00 66.41 67.02 3fbg h THR 291 Cb -0.05 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 66.53 3fbg h THR 291 CO -0.04 0.14 0.03 0.78 0.37 0.00 0.00 175.52 176.80 3fbg h ASN 292 N 0.76 0.54 0.63 4.18 2.35 -0.73 -1.07 115.58 122.24 3fbg h ASN 292 Ca 0.30 -0.29 -0.11 0.00 -0.55 0.00 0.00 56.30 55.65 3fbg h ASN 292 Cb 0.13 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.34 3fbg h ASN 292 CO -0.15 0.70 -0.50 0.11 -1.65 0.00 0.00 177.43 175.93 3fbg h LYS 293 N 0.37 0.00 -0.11 0.81 1.79 -0.77 -0.71 116.57 117.95 3fbg h LYS 293 Ca 0.10 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.55 3fbg h LYS 293 Cb 0.40 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.05 3fbg h LYS 293 CO 0.01 0.50 0.01 0.28 -1.08 0.00 0.00 179.45 179.17 3fbg h VAL 294 N 0.00 1.23 0.00 0.50 2.07 -0.42 0.76 116.25 120.39 3fbg h VAL 294 Ca -0.01 -0.73 -0.01 0.00 0.82 0.00 0.00 66.70 66.77 3fbg h VAL 294 Cb 0.95 1.51 -0.00 0.00 -1.52 0.00 0.00 31.29 32.23 3fbg h VAL 294 CO 0.07 0.21 -0.04 -0.33 0.02 0.00 0.00 177.57 177.49 3fbg h GLU 295 N -0.06 0.00 -0.10 1.57 5.08 -0.94 0.36 114.58 120.48 3fbg h GLU 295 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3fbg h GLU 295 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 3fbg h GLU 295 CO 0.00 0.04 0.00 1.04 -1.00 0.00 0.00 179.01 179.10 3fbg n GLN 296 N -3.59 1.73 -1.89 2.33 6.02 -0.29 -4.94 117.38 116.75 3fbg n GLN 296 Ca -0.02 -1.08 -0.15 0.00 -0.01 0.00 0.00 57.00 55.74 3fbg n GLN 296 Cb 0.15 -1.44 -0.04 0.00 1.02 0.00 0.00 30.24 29.94 3fbg n GLN 296 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3fbg n ASN 297 N 0.30 -4.73 0.02 1.08 3.02 0.11 -4.90 115.26 110.16 3fbg n ASN 297 Ca 0.17 0.17 -0.19 0.00 -0.03 0.00 0.00 54.58 54.71 3fbg n ASN 297 Cb 0.35 -3.72 -0.14 0.00 -0.61 0.00 0.00 39.78 35.65 3fbg n ASN 297 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 3fbg h ILE 298 N 0.00 0.76 -3.13 2.41 2.04 -1.07 -3.47 117.51 115.06 3fbg h ILE 298 Ca -0.34 -2.47 -0.63 0.00 1.00 0.00 0.00 64.86 62.42 3fbg h ILE 298 Cb 1.14 2.56 -0.10 0.00 -0.74 0.00 0.00 36.82 39.69 3fbg h ILE 298 CO 0.44 0.82 -0.62 -0.31 0.00 0.00 0.00 178.15 178.49 3fbg s TYR 299 N -2.57 3.10 0.06 1.37 2.02 -1.00 -4.99 117.35 115.33 3fbg s TYR 299 Ca -0.17 0.02 0.08 0.00 -0.37 0.00 0.00 57.07 56.62 3fbg s TYR 299 Cb 0.07 -1.56 -0.03 0.00 -0.40 0.00 0.00 41.96 40.03 3fbg s TYR 299 CO 0.80 0.51 -0.20 1.14 -1.57 0.00 0.00 175.55 176.22 3fbg s GLN 300 N -2.53 1.93 0.99 -0.62 -2.07 -1.26 -4.47 119.66 111.62 3fbg s GLN 300 Ca 0.28 -1.06 -0.12 0.00 -1.82 0.00 0.00 55.36 52.64 3fbg s GLN 300 Cb -0.11 -2.11 0.18 0.00 -1.09 0.00 0.00 33.01 29.88 3fbg s GLN 300 CO 0.21 0.52 1.08 -1.25 -1.32 0.00 0.00 175.29 174.53 3fbg s PRO 301 N -1.53 0.49 -0.01 9.60 0.04 -1.26 -4.99 135.00 137.33 3fbg s PRO 301 Ca 0.14 0.70 0.02 0.00 0.04 0.00 0.00 61.00 61.91 3fbg s PRO 301 Cb -0.10 -1.73 0.03 0.00 0.04 0.00 0.00 34.50 32.74 3fbg s PRO 301 CO 0.05 -2.74 0.84 0.25 0.04 0.00 0.00 177.00 175.45 3fbg n THR 302 N -4.21 0.67 -2.14 1.26 -2.24 -1.26 -5.04 114.28 101.32 3fbg n THR 302 Ca 0.06 -0.71 -0.42 0.00 -2.27 0.00 0.00 64.05 60.71 3fbg n THR 302 Cb 0.56 0.59 -0.03 0.00 -2.10 0.00 0.00 70.33 69.35 3fbg n THR 302 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3fbg s THR 303 N -0.78 3.10 0.00 4.28 2.01 -1.26 -0.91 115.64 122.07 3fbg s THR 303 Ca 0.04 0.84 0.00 0.00 0.31 0.00 0.00 61.69 62.88 3fbg s THR 303 Cb 0.03 -3.54 0.00 0.00 0.01 0.00 0.00 72.50 69.00 3fbg s THR 303 CO 0.00 0.10 0.02 0.35 -0.69 0.00 0.00 174.62 174.40 3fbg n THR 304 N 3.25 0.00 -3.77 -0.82 -2.24 -0.15 -4.82 114.28 105.73 3fbg n THR 304 Ca 0.09 -0.26 -0.13 0.00 -2.27 0.00 0.00 64.05 61.48 3fbg n THR 304 Cb 0.42 1.03 -0.14 0.00 -2.10 0.00 0.00 70.33 69.54 3fbg n THR 304 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3fbg s LYS 305 N -0.48 0.13 -0.06 -0.78 2.20 -1.05 -5.02 119.74 114.68 3fbg s LYS 305 Ca 0.00 0.33 0.05 0.00 -0.36 0.00 0.00 55.97 55.99 3fbg s LYS 305 Cb 0.00 -0.09 -0.01 0.00 -1.51 0.00 0.00 37.83 36.23 3fbg s LYS 305 CO 0.00 -0.12 -0.22 0.08 -0.36 0.00 0.00 175.35 174.74 3fbg s VAL 306 N 0.81 1.82 -0.08 4.02 1.01 -1.26 -0.99 120.40 125.73 3fbg s VAL 306 Ca -0.06 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.02 3fbg s VAL 306 Cb -0.08 -1.56 -0.02 0.00 0.00 0.00 0.00 36.38 34.72 3fbg s VAL 306 CO -0.04 0.51 -0.14 -0.63 0.00 0.00 0.00 175.10 174.80 3fbg s ILE 307 N 0.01 3.06 -0.26 2.22 1.01 -0.08 -4.98 121.20 122.18 3fbg s ILE 307 Ca -0.07 -0.70 -0.11 0.00 0.00 0.00 0.00 60.65 59.78 3fbg s ILE 307 Cb -0.14 -2.23 -0.05 0.00 0.01 0.00 0.00 42.46 40.06 3fbg s ILE 307 CO 0.04 0.57 0.17 -1.61 0.00 0.00 0.00 174.94 174.11 3fbg s GLU 308 N -0.38 3.98 0.00 2.79 0.41 -1.26 -1.28 118.70 122.96 3fbg s GLU 308 Ca 0.04 -0.31 0.00 0.00 -0.41 0.00 0.00 54.97 54.29 3fbg s GLU 308 Cb -0.12 -3.59 0.00 0.00 -1.78 0.00 0.00 34.13 28.64 3fbg s GLU 308 CO 0.02 -0.08 0.00 0.41 -0.49 0.00 0.00 175.26 175.13 3fbg n GLY 309 N 4.72 2.33 3.49 -1.39 0.00 0.62 -4.93 105.19 110.03 3fbg n GLY 309 Ca -0.15 -1.26 -0.42 0.00 0.00 0.00 0.00 46.02 44.19 3fbg n GLY 309 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3fbg s LEU 310 N 0.00 4.05 0.07 0.99 2.96 -1.25 -4.78 118.68 120.72 3fbg s LEU 310 Ca 0.00 -1.01 -0.01 0.00 -0.22 0.00 0.00 54.13 52.89 3fbg s LEU 310 Cb 0.00 -2.47 -0.04 0.00 0.50 0.00 0.00 46.19 44.18 3fbg s LEU 310 CO 0.00 -1.51 -0.02 0.42 -1.32 0.00 0.00 176.35 173.92 3fbg s THR 311 N 4.44 0.22 0.26 3.68 -4.23 -1.26 -5.03 115.64 113.72 3fbg s THR 311 Ca 0.29 -1.83 -0.05 0.00 -1.18 0.00 0.00 61.69 58.92 3fbg s THR 311 Cb -0.12 -1.62 0.24 0.00 1.34 0.00 0.00 72.50 72.35 3fbg s THR 311 CO 0.07 -0.90 1.91 0.71 -0.54 0.00 0.00 174.62 175.87 3fbg h THR 312 N 3.09 1.25 -0.81 3.99 1.35 -1.92 -1.46 112.91 118.40 3fbg h THR 312 Ca -0.34 -0.52 -0.01 0.00 -0.55 0.00 0.00 66.41 64.99 3fbg h THR 312 Cb 1.15 -0.06 -0.04 0.00 -1.73 0.00 0.00 68.15 67.48 3fbg h THR 312 CO 0.65 0.25 0.47 -0.33 -0.25 0.00 0.00 175.52 176.31 3fbg h GLU 313 N 1.25 1.12 -0.21 4.72 3.07 -1.97 -1.36 114.58 121.20 3fbg h GLU 313 Ca 0.33 -0.12 -0.20 0.00 -0.50 0.00 0.00 59.36 58.88 3fbg h GLU 313 Cb -0.08 -0.23 0.00 0.00 -0.84 0.00 0.00 28.75 27.61 3fbg h GLU 313 CO -0.06 0.81 -0.65 -0.91 -1.40 0.00 0.00 179.01 176.79 3fbg h ASN 314 N 1.12 0.89 -0.41 1.42 2.35 -1.76 -0.15 115.58 119.04 3fbg h ASN 314 Ca 0.29 -0.53 -0.03 0.00 -0.55 0.00 0.00 56.30 55.48 3fbg h ASN 314 Cb -0.01 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.09 3fbg h ASN 314 CO -0.05 1.31 0.14 0.40 -1.65 0.00 0.00 177.43 177.59 3fbg h ILE 315 N 0.57 1.21 -0.21 2.81 1.08 -1.15 -0.66 117.51 121.16 3fbg h ILE 315 Ca -0.02 -0.67 0.02 0.00 -0.39 0.00 0.00 64.86 63.80 3fbg h ILE 315 Cb 1.26 0.88 -0.02 0.00 -3.07 0.00 0.00 36.82 35.86 3fbg h ILE 315 CO 0.14 0.24 0.09 0.22 -0.69 0.00 0.00 178.15 178.14 3fbg h TYR 316 N 0.52 0.16 -0.59 1.37 3.20 -1.10 -0.22 116.97 120.30 3fbg h TYR 316 Ca 0.13 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.01 3fbg h TYR 316 Cb 0.23 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.43 3fbg h TYR 316 CO 0.01 0.08 0.36 0.37 -1.64 0.00 0.00 178.16 177.34 3fbg h GLN 317 N 0.19 0.80 -0.53 1.82 4.15 -0.81 -1.10 115.11 119.64 3fbg h GLN 317 Ca 0.09 -0.06 -0.07 0.00 0.77 0.00 0.00 58.65 59.38 3fbg h GLN 317 Cb 0.04 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 27.54 3fbg h GLN 317 CO -0.08 0.56 0.07 0.00 -1.93 0.00 0.00 178.83 177.45 3fbg h ALA 318 N 1.58 0.70 -0.66 3.38 0.00 -0.42 -1.88 119.26 121.97 3fbg h ALA 318 Ca 0.21 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.88 3fbg h ALA 318 Cb -0.03 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 3fbg h ALA 318 CO -0.04 0.46 0.43 0.45 0.00 0.00 0.00 179.25 180.55 3fbg h HIS 319 N 0.77 0.82 -0.45 0.00 3.86 -0.04 -0.34 115.15 119.76 3fbg h HIS 319 Ca 0.16 0.02 0.03 0.00 -1.16 0.00 0.00 60.37 59.42 3fbg h HIS 319 Cb 0.43 -0.27 -0.04 0.00 1.06 0.00 0.00 27.41 28.59 3fbg h HIS 319 CO 0.03 0.50 0.24 1.96 0.86 0.00 0.00 177.93 181.52 3fbg h GLN 320 N 0.87 0.46 -0.12 2.45 4.20 -1.03 0.06 115.11 122.01 3fbg h GLN 320 Ca 0.25 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.94 3fbg h GLN 320 Cb -0.07 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.59 3fbg h GLN 320 CO -0.07 0.31 0.06 0.82 -0.67 0.00 0.00 178.83 179.28 3fbg h ILE 321 N 0.48 1.00 -0.71 2.54 2.04 -1.07 -2.43 117.51 119.36 3fbg h ILE 321 Ca 0.19 -0.04 -0.06 0.00 1.00 0.00 0.00 64.86 65.95 3fbg h ILE 321 Cb 0.08 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 3fbg h ILE 321 CO -0.12 0.02 0.21 -0.07 0.00 0.00 0.00 178.15 178.19 3fbg h LEU 322 N 0.13 1.05 -1.92 1.44 -0.00 -0.72 -2.59 115.31 112.69 3fbg h LEU 322 Ca 0.05 -0.21 -0.02 0.00 -0.00 0.00 0.00 57.88 57.70 3fbg h LEU 322 Cb 0.01 -0.28 -0.00 0.00 -0.00 0.00 0.00 40.66 40.39 3fbg h LEU 322 CO -0.04 0.99 -0.08 -0.33 -0.00 0.00 0.00 178.44 178.98 3fbg h GLU 323 N 1.06 0.00 0.00 1.13 5.08 -0.77 -2.38 114.58 118.69 3fbg h GLU 323 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 3fbg h GLU 323 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 3fbg h GLU 323 CO -0.00 0.08 0.00 -1.13 -1.00 0.00 0.00 179.01 176.96 3fbg n SER 324 N -3.39 0.75 -2.75 1.42 3.41 -0.93 -4.90 113.62 107.23 3fbg n SER 324 Ca -0.01 0.65 -0.16 0.00 -0.26 0.00 0.00 58.87 59.08 3fbg n SER 324 Cb 0.24 -0.82 -0.00 0.00 -0.26 0.00 0.00 64.21 63.37 3fbg n SER 324 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3fbg n ASN 325 N -2.29 -3.95 -0.33 4.04 5.03 -0.90 -4.84 115.26 112.02 3fbg n ASN 325 Ca 0.03 -0.00 0.07 0.00 0.87 0.00 0.00 54.58 55.54 3fbg n ASN 325 Cb 0.30 -3.32 0.00 0.00 -1.02 0.00 0.00 39.78 35.74 3fbg n ASN 325 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 3fbg n THR 326 N -3.61 0.00 -2.00 3.41 -2.24 -1.26 -5.01 114.28 103.56 3fbg n THR 326 Ca -0.10 -0.37 -0.41 0.00 -2.27 0.00 0.00 64.05 60.89 3fbg n THR 326 Cb 0.59 1.17 -0.02 0.00 -2.10 0.00 0.00 70.33 69.97 3fbg n THR 326 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 3fbg s MET 327 N -1.62 4.26 -0.21 -0.78 -1.94 -1.26 -5.02 119.30 112.72 3fbg s MET 327 Ca 0.12 2.30 -0.08 0.00 -1.71 0.00 0.00 55.69 56.32 3fbg s MET 327 Cb 0.11 -3.12 -0.04 0.00 2.01 0.00 0.00 34.83 33.79 3fbg s MET 327 CO 0.32 -0.45 0.09 0.42 -0.01 0.00 0.00 175.02 175.39 3fbg s ILE 328 N 0.20 4.77 0.00 2.53 1.01 -1.26 -4.71 121.20 123.73 3fbg s ILE 328 Ca 0.61 -0.03 0.00 0.00 0.00 0.00 0.00 60.65 61.23 3fbg s ILE 328 Cb -0.42 -3.19 0.00 0.00 0.01 0.00 0.00 42.46 38.86 3fbg s ILE 328 CO 0.41 0.40 0.00 0.61 0.00 0.00 0.00 174.94 176.36 3fbg n GLY 329 N 4.09 1.93 3.21 6.18 0.00 -1.04 -4.62 105.19 114.94 3fbg n GLY 329 Ca -0.16 -0.56 -0.25 0.00 0.00 0.00 0.00 46.02 45.05 3fbg n GLY 329 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fbg s LYS 330 N 0.00 1.37 -0.18 1.61 -0.14 -0.09 -4.15 119.74 118.16 3fbg s LYS 330 Ca 0.00 -0.81 -0.08 0.00 -1.36 0.00 0.00 55.97 53.73 3fbg s LYS 330 Cb 0.00 -1.41 -0.04 0.00 -1.68 0.00 0.00 37.83 34.70 3fbg s LYS 330 CO 0.00 0.37 0.08 -1.17 -0.76 0.00 0.00 175.35 173.87 3fbg s LEU 331 N -0.88 3.92 0.08 3.17 2.96 -1.26 -0.98 118.68 125.69 3fbg s LEU 331 Ca 0.07 0.13 0.08 0.00 -0.22 0.00 0.00 54.13 54.19 3fbg s LEU 331 Cb -0.08 -1.99 -0.03 0.00 0.50 0.00 0.00 46.19 44.59 3fbg s LEU 331 CO 0.01 0.19 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.32 3fbg s VAL 332 N 0.29 1.74 -0.11 1.68 1.01 -0.16 -2.13 120.40 122.71 3fbg s VAL 332 Ca 0.05 -1.43 0.03 0.00 0.00 0.00 0.00 61.98 60.63 3fbg s VAL 332 Cb -0.12 -1.55 0.01 0.00 0.00 0.00 0.00 36.38 34.72 3fbg s VAL 332 CO -0.00 0.06 -0.22 -0.63 0.00 0.00 0.00 175.10 174.31 3fbg s ILE 333 N -1.01 1.93 -0.09 2.22 1.01 -0.18 -0.91 121.20 124.17 3fbg s ILE 333 Ca 0.07 -0.93 -0.19 0.00 0.00 0.00 0.00 60.65 59.61 3fbg s ILE 333 Cb -0.10 -1.70 -0.04 0.00 0.01 0.00 0.00 42.46 40.63 3fbg s ILE 333 CO 0.03 0.53 0.52 0.20 0.00 0.00 0.00 174.94 176.22 3fbg s ASN 334 N 0.60 6.77 0.00 3.58 0.01 -0.40 -1.34 114.94 124.16 3fbg s ASN 334 Ca -0.13 0.92 0.18 0.00 -0.71 0.00 0.00 52.86 53.12 3fbg s ASN 334 Cb -0.17 -2.31 1.07 0.00 0.41 0.00 0.00 41.25 40.26 3fbg s ASN 334 CO 0.04 0.02 1.47 0.18 -1.51 0.00 0.00 177.10 177.30