#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fsw s GLU 2 N 0.00 2.78 -1.63 0.00 2.02 -1.26 -4.66 118.70 115.95 3fsw s GLU 2 Ca 0.00 -0.75 -0.01 0.00 0.02 0.00 0.00 54.97 54.23 3fsw s GLU 2 Cb 0.00 -2.66 0.00 0.00 0.10 0.00 0.00 34.13 31.57 3fsw s GLU 2 CO 0.00 0.55 0.11 0.00 0.02 0.00 0.00 175.26 175.94 3fsw s SER 4 N -2.16 0.00 -0.05 0.00 1.04 -1.26 -1.47 113.70 109.79 3fsw s SER 4 Ca 0.06 -0.83 -0.07 0.00 0.48 0.00 0.00 55.95 55.59 3fsw s SER 4 Cb -0.03 0.46 0.01 0.00 0.10 0.00 0.00 66.02 66.56 3fsw s SER 4 CO 0.07 -0.92 0.17 0.54 0.98 0.00 0.00 173.24 174.08 3fsw s VAL 5 N -3.96 0.02 -0.20 5.02 0.11 -0.71 -4.93 120.40 115.74 3fsw s VAL 5 Ca 0.17 -0.15 -0.10 0.00 -2.93 0.00 0.00 61.98 58.97 3fsw s VAL 5 Cb 0.03 -0.30 -0.05 0.00 -1.53 0.00 0.00 36.38 34.53 3fsw s VAL 5 CO 0.00 -0.08 0.12 -1.81 -3.33 0.00 0.00 175.10 170.00 3fsw s ASP 6 N -0.23 6.07 0.03 3.54 1.11 -1.26 -0.92 116.67 125.01 3fsw s ASP 6 Ca -0.03 0.17 0.07 0.00 0.18 0.00 0.00 52.55 52.95 3fsw s ASP 6 Cb -0.03 -2.07 -0.02 0.00 1.07 0.00 0.00 42.92 41.87 3fsw s ASP 6 CO 0.01 0.16 -0.21 -0.63 1.18 0.00 0.00 175.17 175.67 3fsw s ILE 7 N 0.51 1.73 -0.04 0.77 -1.09 -0.22 -4.95 121.20 117.89 3fsw s ILE 7 Ca 0.07 -1.16 0.07 0.00 -2.23 0.00 0.00 60.65 57.39 3fsw s ILE 7 Cb -0.12 -1.48 -0.01 0.00 -1.58 0.00 0.00 42.46 39.27 3fsw s ILE 7 CO -0.00 0.28 -0.25 -1.10 -1.23 0.00 0.00 174.94 172.64 3fsw s GLN 8 N -1.04 2.32 -0.17 2.79 -0.21 -1.26 -1.29 119.66 120.80 3fsw s GLN 8 Ca 0.08 -0.88 -0.02 0.00 0.02 0.00 0.00 55.36 54.56 3fsw s GLN 8 Cb -0.09 -2.05 -0.01 0.00 1.00 0.00 0.00 33.01 31.85 3fsw s GLN 8 CO 0.01 0.43 -0.08 0.20 -2.12 0.00 0.00 175.29 173.73 3fsw s GLY 9 N -0.30 1.60 0.25 3.09 0.00 -0.56 -2.35 107.32 109.04 3fsw s GLY 9 Ca 0.01 -0.97 0.01 0.00 0.00 0.00 0.00 44.72 43.77 3fsw s GLY 9 CO 0.02 0.05 0.11 1.16 0.00 0.00 0.00 173.10 174.44 3fsw n ASN 10 N 3.97 2.16 0.11 1.64 0.23 -0.68 -3.90 115.26 118.79 3fsw n ASN 10 Ca -0.18 -1.94 0.12 0.00 -0.53 0.00 0.00 54.58 52.04 3fsw n ASN 10 Cb 0.52 0.06 0.47 0.00 -2.08 0.00 0.00 39.78 38.75 3fsw n ASN 10 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 3fsw n ASP 11 N -1.60 0.62 -1.22 0.53 8.00 -1.26 -2.68 116.55 118.92 3fsw n ASP 11 Ca -0.05 0.64 0.05 0.00 0.71 0.00 0.00 54.79 56.14 3fsw n ASP 11 Cb 0.29 -0.77 0.24 0.00 -0.02 0.00 0.00 41.12 40.86 3fsw n ASP 11 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3fsw n GLN 12 N -2.16 3.04 -3.68 -1.24 1.13 -1.26 -4.91 117.38 108.30 3fsw n GLN 12 Ca 0.03 -1.89 -0.23 0.00 -1.94 0.00 0.00 57.00 52.97 3fsw n GLN 12 Cb 0.25 -1.80 0.05 0.00 0.11 0.00 0.00 30.24 28.85 3fsw n GLN 12 CO 0.00 0.00 0.00 -0.12 -1.44 0.00 0.00 177.06 175.50 3fsw n MET 13 N 0.53 -6.00 -4.28 -1.09 1.56 -1.09 -4.99 117.12 101.76 3fsw n MET 13 Ca 0.17 0.70 -0.19 0.00 -0.27 0.00 0.00 57.70 58.11 3fsw n MET 13 Cb 0.71 -5.53 -0.13 0.00 2.15 0.00 0.00 33.22 30.42 3fsw n MET 13 CO 0.00 0.00 0.00 -0.65 -0.73 0.00 0.00 175.97 174.59 3fsw s GLN 14 N -6.08 0.82 0.34 2.12 -0.21 -1.26 -4.45 119.66 110.95 3fsw s GLN 14 Ca 0.28 -0.73 -0.07 0.00 0.02 0.00 0.00 55.36 54.85 3fsw s GLN 14 Cb -0.13 -0.80 -0.06 0.00 1.00 0.00 0.00 33.01 33.03 3fsw s GLN 14 CO 0.78 0.19 0.64 -0.06 -2.12 0.00 0.00 175.29 174.73 3fsw s PHE 15 N -0.91 3.47 -2.28 0.91 0.08 -1.26 -1.69 117.98 116.31 3fsw s PHE 15 Ca -0.00 0.81 0.20 0.00 0.12 0.00 0.00 56.93 58.06 3fsw s PHE 15 Cb -0.08 -2.24 0.68 0.00 -0.57 0.00 0.00 43.02 40.80 3fsw s PHE 15 CO 0.01 0.05 1.51 0.27 -0.10 0.00 0.00 175.22 176.96 3fsw n ASN 16 N -1.10 1.90 -3.75 1.36 6.94 -0.99 -4.84 115.26 114.79 3fsw n ASN 16 Ca -0.00 -1.77 -0.13 0.00 -0.02 0.00 0.00 54.58 52.66 3fsw n ASN 16 Cb 0.54 -0.13 -0.10 0.00 -2.36 0.00 0.00 39.78 37.72 3fsw n ASN 16 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 3fsw s THR 17 N -1.74 0.00 -0.34 5.53 -1.32 -1.26 -5.02 115.64 111.50 3fsw s THR 17 Ca 0.32 -0.03 0.13 0.00 -1.21 0.00 0.00 61.69 60.90 3fsw s THR 17 Cb 0.18 -0.51 0.34 0.00 -1.51 0.00 0.00 72.50 70.99 3fsw s THR 17 CO 0.26 -0.02 1.26 -0.46 -2.21 0.00 0.00 174.62 173.45 3fsw n ASN 18 N 2.78 3.04 -3.65 8.08 0.23 -1.26 -4.86 115.26 119.61 3fsw n ASN 18 Ca -0.14 -2.60 -0.05 0.00 -0.53 0.00 0.00 54.58 51.27 3fsw n ASN 18 Cb 0.57 -0.36 -0.06 0.00 -2.08 0.00 0.00 39.78 37.86 3fsw n ASN 18 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3fsw s ALA 19 N -2.07 -1.81 -0.03 -2.53 0.00 -1.26 -2.30 121.76 111.75 3fsw s ALA 19 Ca 0.29 2.21 0.07 0.00 0.00 0.00 0.00 51.96 54.53 3fsw s ALA 19 Cb 0.22 -1.55 -0.02 0.00 0.00 0.00 0.00 23.12 21.77 3fsw s ALA 19 CO 0.08 -0.69 -0.25 0.42 0.00 0.00 0.00 175.76 175.33 3fsw s ILE 20 N 2.36 2.00 0.04 0.00 1.01 0.42 -4.97 121.20 122.07 3fsw s ILE 20 Ca -0.07 -1.07 0.06 0.00 0.00 0.00 0.00 60.65 59.58 3fsw s ILE 20 Cb -0.10 -1.67 -0.02 0.00 0.01 0.00 0.00 42.46 40.68 3fsw s ILE 20 CO -0.18 0.56 -0.18 0.42 0.00 0.00 0.00 174.94 175.56 3fsw s THR 21 N -0.44 1.46 -0.10 2.92 -4.23 -1.26 -1.63 115.64 112.35 3fsw s THR 21 Ca 0.05 -1.14 0.03 0.00 -1.18 0.00 0.00 61.69 59.46 3fsw s THR 21 Cb -0.11 -1.29 0.01 0.00 1.34 0.00 0.00 72.50 72.45 3fsw s THR 21 CO 0.01 0.12 -0.21 -0.69 -0.54 0.00 0.00 174.62 173.31 3fsw s VAL 22 N -0.83 1.86 0.23 2.29 1.01 0.12 -4.94 120.40 120.14 3fsw s VAL 22 Ca 0.05 -0.89 -0.30 0.00 0.00 0.00 0.00 61.98 60.84 3fsw s VAL 22 Cb -0.08 -1.64 -0.09 0.00 0.00 0.00 0.00 36.38 34.57 3fsw s VAL 22 CO 0.02 0.51 1.09 -0.62 0.00 0.00 0.00 175.10 176.10 3fsw s ASP 23 N 0.56 7.30 0.33 3.32 -1.08 -1.26 -0.22 116.67 125.61 3fsw s ASP 23 Ca -0.14 2.16 0.13 0.00 -0.52 0.00 0.00 52.55 54.18 3fsw s ASP 23 Cb -0.17 -2.61 1.06 0.00 -1.46 0.00 0.00 42.92 39.74 3fsw s ASP 23 CO 0.05 -0.16 1.49 0.29 0.52 0.00 0.00 175.17 177.36 3fsw n LYS 24 N 1.76 -0.06 0.08 4.34 5.02 0.72 -1.88 118.16 128.14 3fsw n LYS 24 Ca 0.01 1.35 0.11 0.00 -2.02 0.00 0.00 58.31 57.75 3fsw n LYS 24 Cb 0.46 -2.30 0.44 0.00 -0.02 0.00 0.00 35.03 33.60 3fsw n LYS 24 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3fsw n SER 25 N -5.24 0.46 -4.69 4.39 3.41 -1.26 -4.73 113.62 105.96 3fsw n SER 25 Ca 0.31 0.60 -0.42 0.00 -0.26 0.00 0.00 58.87 59.09 3fsw n SER 25 Cb 1.03 -0.70 -0.03 0.00 -0.26 0.00 0.00 64.21 64.25 3fsw n SER 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fsw h LYS 27 N 7.46 0.66 -5.28 0.00 1.79 -1.89 -3.42 116.57 115.89 3fsw h LYS 27 Ca -0.36 -0.72 -0.44 0.00 -2.18 0.00 0.00 60.65 56.94 3fsw h LYS 27 Cb 1.17 0.21 -0.14 0.00 -1.58 0.00 0.00 32.23 31.89 3fsw h LYS 27 CO 0.88 1.30 -0.65 -0.65 -1.08 0.00 0.00 179.45 179.25 3fsw s GLN 28 N -3.27 1.49 -0.00 3.15 -0.21 -1.26 -2.37 119.66 117.18 3fsw s GLN 28 Ca -0.10 -1.77 0.02 0.00 0.02 0.00 0.00 55.36 53.52 3fsw s GLN 28 Cb 0.06 -0.88 -0.01 0.00 1.00 0.00 0.00 33.01 33.18 3fsw s GLN 28 CO 0.91 -0.06 -0.06 0.12 -2.12 0.00 0.00 175.29 174.08 3fsw s PHE 29 N -3.23 0.53 -0.10 0.91 5.36 0.31 -4.84 117.98 116.92 3fsw s PHE 29 Ca 0.31 -0.12 0.03 0.00 -0.96 0.00 0.00 56.93 56.19 3fsw s PHE 29 Cb 0.06 -0.34 0.01 0.00 -0.34 0.00 0.00 43.02 42.40 3fsw s PHE 29 CO 0.11 -0.01 -0.20 0.99 -1.46 0.00 0.00 175.22 174.65 3fsw s THR 30 N -0.19 1.80 -0.21 0.12 2.01 -0.55 -0.66 115.64 117.97 3fsw s THR 30 Ca 0.02 -0.86 -0.06 0.00 0.31 0.00 0.00 61.69 61.10 3fsw s THR 30 Cb -0.03 -1.58 -0.03 0.00 0.01 0.00 0.00 72.50 70.87 3fsw s THR 30 CO -0.00 0.50 0.04 -0.69 -0.69 0.00 0.00 174.62 173.78 3fsw s VAL 31 N 0.55 4.34 -0.48 3.82 1.01 0.40 -1.74 120.40 128.29 3fsw s VAL 31 Ca -0.15 -0.18 -0.09 0.00 0.00 0.00 0.00 61.98 61.56 3fsw s VAL 31 Cb -0.17 -2.98 0.12 0.00 0.00 0.00 0.00 36.38 33.36 3fsw s VAL 31 CO 0.05 0.41 0.35 0.20 0.00 0.00 0.00 175.10 176.12 3fsw s ASN 32 N 0.96 5.70 -0.04 3.32 0.01 -0.10 -1.40 114.94 123.40 3fsw s ASN 32 Ca 0.03 -1.96 -0.18 0.00 -0.71 0.00 0.00 52.86 50.04 3fsw s ASN 32 Cb -0.14 -2.01 -0.05 0.00 0.41 0.00 0.00 41.25 39.46 3fsw s ASN 32 CO 0.02 -0.68 0.51 -0.22 -1.51 0.00 0.00 177.10 175.23 3fsw s LEU 33 N 1.30 4.39 0.18 0.60 2.96 0.03 -1.06 118.68 127.08 3fsw s LEU 33 Ca 0.06 1.01 0.03 0.00 -0.22 0.00 0.00 54.13 55.01 3fsw s LEU 33 Cb -0.26 -2.77 -0.05 0.00 0.50 0.00 0.00 46.19 43.61 3fsw s LEU 33 CO -0.01 0.13 -0.01 -0.94 -1.32 0.00 0.00 176.35 174.19 3fsw s SER 34 N -0.17 1.45 -0.40 3.68 1.04 -0.41 -1.24 113.70 117.64 3fsw s SER 34 Ca 0.28 -1.16 0.02 0.00 0.48 0.00 0.00 55.95 55.57 3fsw s SER 34 Cb -0.17 0.07 0.12 0.00 0.10 0.00 0.00 66.02 66.14 3fsw s SER 34 CO 0.14 -0.52 0.17 -2.28 0.98 0.00 0.00 173.24 171.73 3fsw s HIS 35 N -3.55 2.49 -2.12 5.02 2.46 -0.78 -1.50 115.29 117.31 3fsw s HIS 35 Ca 0.24 -2.52 0.22 0.00 0.47 0.00 0.00 55.06 53.47 3fsw s HIS 35 Cb 0.05 -2.22 1.09 0.00 -0.13 0.00 0.00 32.58 31.37 3fsw s HIS 35 CO 0.05 -0.83 1.73 -0.35 -2.47 0.00 0.00 174.74 172.86 3fsw n PRO 36 N 3.91 1.28 0.00 2.88 -0.04 -1.25 -0.89 135.00 140.88 3fsw n PRO 36 Ca 0.04 -0.41 0.00 0.00 -0.04 0.00 0.00 63.50 63.09 3fsw n PRO 36 Cb 0.37 -1.36 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 3fsw n PRO 36 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3fsw n GLY 37 N 0.95 -1.01 0.00 0.55 0.00 -1.26 -4.87 105.19 99.55 3fsw n GLY 37 Ca 0.16 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.53 3fsw n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3fsw n ASN 38 N -1.95 0.95 -4.83 1.61 4.13 -1.26 -3.88 115.26 110.03 3fsw n ASN 38 Ca 0.00 -1.41 -0.38 0.00 1.68 0.00 0.00 54.58 54.48 3fsw n ASN 38 Cb 0.00 0.00 -0.06 0.00 -1.54 0.00 0.00 39.78 38.18 3fsw n ASN 38 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3fsw s LEU 39 N -0.41 4.47 0.89 3.41 1.43 -1.26 -4.89 118.68 122.32 3fsw s LEU 39 Ca 0.00 1.11 -0.12 0.00 -1.03 0.00 0.00 54.13 54.09 3fsw s LEU 39 Cb 0.00 -2.88 0.13 0.00 0.03 0.00 0.00 46.19 43.47 3fsw s LEU 39 CO 0.00 0.25 1.11 -2.16 0.23 0.00 0.00 176.35 175.78 3fsw s PRO 40 N -1.31 1.30 0.44 1.29 0.04 -1.26 -1.63 135.00 133.87 3fsw s PRO 40 Ca 0.29 0.50 0.10 0.00 0.04 0.00 0.00 61.00 61.93 3fsw s PRO 40 Cb -0.17 -1.84 0.98 0.00 0.04 0.00 0.00 34.50 33.51 3fsw s PRO 40 CO 0.17 -2.13 2.08 -0.22 0.04 0.00 0.00 177.00 176.94 3fsw h LYS 41 N -1.46 0.37 0.00 4.56 3.64 -1.87 -1.25 116.57 120.56 3fsw h LYS 41 Ca -0.50 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 3fsw h LYS 41 Cb 1.31 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 3fsw h LYS 41 CO 0.59 0.25 -0.07 0.27 -2.27 0.00 0.00 179.45 178.22 3fsw n ASN 42 N -4.49 0.76 -0.07 4.20 6.94 -1.26 -1.69 115.26 119.65 3fsw n ASN 42 Ca 0.01 0.52 -0.08 0.00 -0.02 0.00 0.00 54.58 55.01 3fsw n ASN 42 Cb 0.07 -0.67 -0.09 0.00 -2.36 0.00 0.00 39.78 36.74 3fsw n ASN 42 CO 0.00 0.00 0.00 1.33 -1.03 0.00 0.00 177.26 177.56 3fsw n VAL 43 N -2.20 0.85 -2.76 3.53 0.24 -0.79 -4.81 118.33 112.38 3fsw n VAL 43 Ca 0.05 -0.44 -0.09 0.00 -2.04 0.00 0.00 64.34 61.82 3fsw n VAL 43 Cb 0.43 -0.83 0.06 0.00 -1.47 0.00 0.00 33.84 32.03 3fsw n VAL 43 CO 0.00 0.00 0.00 0.80 -2.14 0.00 0.00 176.83 175.49 3fsw n MET 44 N -2.65 1.12 -2.85 7.34 0.00 -0.54 -5.02 117.12 114.53 3fsw n MET 44 Ca -0.23 -2.53 -0.33 0.00 -0.00 0.00 0.00 57.70 54.62 3fsw n MET 44 Cb 0.85 -0.82 -0.06 0.00 0.00 0.00 0.00 33.22 33.18 3fsw n MET 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 3fsw s GLY 45 N -2.02 2.34 0.04 -5.12 0.00 -0.68 -4.79 107.32 97.09 3fsw s GLY 45 Ca 0.26 0.29 0.03 0.00 0.00 0.00 0.00 44.72 45.30 3fsw s GLY 45 CO -0.04 0.55 -0.09 0.30 0.00 0.00 0.00 173.10 173.82 3fsw s HIS 46 N -2.18 0.81 0.40 1.90 3.76 0.20 -4.76 115.29 115.42 3fsw s HIS 46 Ca 0.60 -0.45 0.03 0.00 -0.15 0.00 0.00 55.06 55.09 3fsw s HIS 46 Cb -0.09 -0.47 -0.01 0.00 1.11 0.00 0.00 32.58 33.11 3fsw s HIS 46 CO 0.16 -0.04 0.12 0.27 -0.85 0.00 0.00 174.74 174.40 3fsw n ASN 47 N 1.56 1.50 -3.89 1.40 0.23 -1.26 0.48 115.26 115.28 3fsw n ASN 47 Ca -0.21 -3.09 -0.27 0.00 -0.53 0.00 0.00 54.58 50.47 3fsw n ASN 47 Cb 0.55 0.91 -0.17 0.00 -2.08 0.00 0.00 39.78 38.99 3fsw n ASN 47 CO 0.00 0.00 0.00 0.86 -0.93 0.00 0.00 177.26 177.19 3fsw s TRP 48 N -2.99 1.48 0.02 -2.53 -0.00 -1.26 -4.14 118.94 109.52 3fsw s TRP 48 Ca 0.17 -0.79 0.06 0.00 -0.00 0.00 0.00 56.10 55.54 3fsw s TRP 48 Cb 0.01 -1.22 -0.02 0.00 -0.00 0.00 0.00 33.47 32.24 3fsw s TRP 48 CO 0.12 -0.53 -0.18 0.08 -0.00 0.00 0.00 176.95 176.44 3fsw s VAL 49 N 1.71 1.47 -0.09 5.86 1.01 -0.09 -1.24 120.40 129.03 3fsw s VAL 49 Ca 0.04 -1.02 0.02 0.00 0.00 0.00 0.00 61.98 61.02 3fsw s VAL 49 Cb -0.13 -1.27 0.01 0.00 0.00 0.00 0.00 36.38 34.99 3fsw s VAL 49 CO -0.08 0.22 -0.15 -0.22 0.00 0.00 0.00 175.10 174.87 3fsw s LEU 50 N -0.93 1.74 0.34 3.92 2.96 0.51 -1.86 118.68 125.37 3fsw s LEU 50 Ca 0.06 -0.39 -0.04 0.00 -0.22 0.00 0.00 54.13 53.54 3fsw s LEU 50 Cb -0.08 -1.03 0.01 0.00 0.50 0.00 0.00 46.19 45.59 3fsw s LEU 50 CO 0.01 0.04 0.49 -0.94 -1.32 0.00 0.00 176.35 174.64 3fsw s SER 51 N 0.76 0.82 0.71 3.68 1.04 -0.80 -0.70 113.70 119.22 3fsw s SER 51 Ca -0.12 -1.44 -0.13 0.00 0.48 0.00 0.00 55.95 54.74 3fsw s SER 51 Cb -0.16 0.67 0.03 0.00 0.10 0.00 0.00 66.02 66.66 3fsw s SER 51 CO 0.02 -1.32 1.10 0.42 0.98 0.00 0.00 173.24 174.45 3fsw s THR 52 N -3.05 3.30 0.31 2.02 -4.23 -1.26 -1.17 115.64 111.56 3fsw s THR 52 Ca 0.29 0.51 0.03 0.00 -1.18 0.00 0.00 61.69 61.34 3fsw s THR 52 Cb -0.01 -3.02 0.29 0.00 1.34 0.00 0.00 72.50 71.11 3fsw s THR 52 CO 0.19 -0.46 1.89 0.00 -0.54 0.00 0.00 174.62 175.70 3fsw h ALA 53 N -0.53 1.59 -0.28 3.99 0.00 -1.89 -2.09 119.26 120.06 3fsw h ALA 53 Ca -0.45 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.35 3fsw h ALA 53 Cb 1.24 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 3fsw h ALA 53 CO 0.53 0.23 -0.26 0.00 0.00 0.00 0.00 179.25 179.75 3fsw h ALA 54 N 1.54 1.03 0.00 0.00 0.00 -1.94 -3.15 119.26 116.74 3fsw h ALA 54 Ca 0.42 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3fsw h ALA 54 Cb 0.37 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3fsw h ALA 54 CO -0.18 0.58 -0.22 -0.25 0.00 0.00 0.00 179.25 179.19 3fsw n ASP 55 N -4.11 0.70 0.04 0.00 8.00 -0.83 -4.46 116.55 115.89 3fsw n ASP 55 Ca -0.00 0.39 -0.11 0.00 0.71 0.00 0.00 54.79 55.78 3fsw n ASP 55 Cb 0.42 -0.43 -0.04 0.00 -0.02 0.00 0.00 41.12 41.05 3fsw n ASP 55 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 3fsw h MET 56 N 0.00 -0.28 -0.75 -1.24 1.85 -1.41 -1.53 114.93 111.58 3fsw h MET 56 Ca 0.00 0.02 -0.01 0.00 -0.61 0.00 0.00 59.70 59.10 3fsw h MET 56 Cb 0.71 0.06 -0.04 0.00 0.43 0.00 0.00 31.60 32.77 3fsw h MET 56 CO 0.00 -0.19 0.41 0.37 -0.40 0.00 0.00 176.91 177.11 3fsw h GLN 57 N -0.29 1.04 -0.06 0.39 5.75 -1.80 -0.26 115.11 119.87 3fsw h GLN 57 Ca 0.07 -0.12 0.00 0.00 -0.15 0.00 0.00 58.65 58.45 3fsw h GLN 57 Cb 0.38 -0.20 -0.00 0.00 1.07 0.00 0.00 27.48 28.72 3fsw h GLN 57 CO -0.20 0.77 0.04 0.78 -2.65 0.00 0.00 178.83 177.57 3fsw h GLY 58 N 1.03 0.08 0.86 2.39 0.00 -1.75 -0.52 103.07 105.16 3fsw h GLY 58 Ca 0.26 -0.03 0.04 0.00 0.00 0.00 0.00 47.33 47.60 3fsw h GLY 58 CO -0.04 0.03 0.50 -2.08 0.00 0.00 0.00 176.54 174.95 3fsw h VAL 59 N 0.06 1.11 -0.09 4.60 2.07 -0.97 -1.14 116.25 121.89 3fsw h VAL 59 Ca 0.02 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 67.20 3fsw h VAL 59 Cb 0.01 0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 29.82 3fsw h VAL 59 CO -0.00 0.18 0.05 0.58 0.02 0.00 0.00 177.57 178.39 3fsw h VAL 60 N 0.98 1.11 -0.21 2.57 2.07 -0.79 -0.35 116.25 121.62 3fsw h VAL 60 Ca 0.32 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 3fsw h VAL 60 Cb 0.03 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 3fsw h VAL 60 CO -0.12 0.09 0.09 0.74 0.02 0.00 0.00 177.57 178.39 3fsw h THR 61 N 0.03 1.16 -0.56 2.57 2.02 -0.79 -0.66 112.91 116.68 3fsw h THR 61 Ca 0.03 -0.47 -0.06 0.00 0.77 0.00 0.00 66.41 66.68 3fsw h THR 61 Cb 0.11 1.09 -0.02 0.00 -1.74 0.00 0.00 68.15 67.59 3fsw h THR 61 CO -0.00 0.15 0.10 0.44 0.37 0.00 0.00 175.52 176.58 3fsw h ASP 62 N 0.18 0.88 -0.42 4.18 5.19 -1.23 -2.76 116.42 122.45 3fsw h ASP 62 Ca 0.07 -0.25 -0.07 0.00 -0.62 0.00 0.00 57.03 56.16 3fsw h ASP 62 Cb 0.16 -0.23 -0.02 0.00 0.18 0.00 0.00 39.33 39.42 3fsw h ASP 62 CO -0.01 0.91 0.03 1.23 -3.12 0.00 0.00 179.24 178.28 3fsw h GLY 63 N 0.82 0.86 0.82 2.75 0.00 -0.88 -1.28 103.07 106.16 3fsw h GLY 63 Ca 0.17 -0.55 0.04 0.00 0.00 0.00 0.00 47.33 46.99 3fsw h GLY 63 CO 0.01 0.52 0.45 1.98 0.00 0.00 0.00 176.54 179.49 3fsw h MET 64 N 0.75 0.83 0.00 4.80 -1.53 -1.06 -2.03 114.93 116.70 3fsw h MET 64 Ca 0.15 -0.05 -0.05 0.00 -3.44 0.00 0.00 59.70 56.32 3fsw h MET 64 Cb 0.41 -0.19 -0.01 0.00 -0.55 0.00 0.00 31.60 31.27 3fsw h MET 64 CO 0.01 0.55 -0.22 0.00 0.14 0.00 0.00 176.91 177.40 3fsw h ALA 65 N 1.32 1.03 0.00 0.39 0.00 -1.10 -3.02 119.26 117.88 3fsw h ALA 65 Ca 0.30 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 3fsw h ALA 65 Cb 0.06 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3fsw h ALA 65 CO -0.13 0.27 -0.50 0.77 0.00 0.00 0.00 179.25 179.67 3fsw h SER 66 N 0.00 0.00 -4.01 0.00 0.02 -0.58 -3.50 113.55 105.48 3fsw h SER 66 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3fsw h SER 66 Cb 0.73 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.27 3fsw h SER 66 CO 0.03 0.23 0.00 0.61 -1.14 0.00 0.00 176.83 176.56 3fsw n GLY 67 N 1.19 -1.50 0.33 -3.77 0.00 -0.86 -4.00 105.19 96.58 3fsw n GLY 67 Ca 0.01 -1.53 0.07 0.00 0.00 0.00 0.00 46.02 44.57 3fsw n GLY 67 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3fsw h LEU 68 N 0.00 0.46 -0.98 0.99 5.85 -1.89 -0.73 115.31 119.01 3fsw h LEU 68 Ca 0.00 -0.00 0.25 0.00 0.84 0.00 0.00 57.88 58.96 3fsw h LEU 68 Cb 0.00 -0.10 -0.13 0.00 0.37 0.00 0.00 40.66 40.80 3fsw h LEU 68 CO 0.00 0.31 0.55 -0.78 -0.34 0.00 0.00 178.44 178.18 3fsw h ASP 69 N 0.53 0.59 -0.51 1.25 3.58 -1.99 -1.79 116.42 118.07 3fsw h ASP 69 Ca 0.21 0.14 -0.33 0.00 0.42 0.00 0.00 57.03 57.48 3fsw h ASP 69 Cb 0.18 0.06 -0.21 0.00 1.72 0.00 0.00 39.33 41.08 3fsw h ASP 69 CO -0.06 0.06 -0.19 0.29 -2.88 0.00 0.00 179.24 176.47 3fsw n LYS 70 N -4.93 2.38 -2.69 0.28 5.02 -0.76 -4.94 118.16 112.51 3fsw n LYS 70 Ca 0.26 -3.47 -0.18 0.00 -2.02 0.00 0.00 58.31 52.90 3fsw n LYS 70 Cb 0.74 -1.98 0.00 0.00 -0.02 0.00 0.00 35.03 33.77 3fsw n LYS 70 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3fsw n ASP 71 N -0.99 -4.86 -3.52 4.39 9.92 -0.67 -2.38 116.55 118.43 3fsw n ASP 71 Ca 0.39 -0.05 -0.26 0.00 -0.53 0.00 0.00 54.79 54.34 3fsw n ASP 71 Cb 0.95 -4.04 0.02 0.00 -0.64 0.00 0.00 41.12 37.42 3fsw n ASP 71 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 3fsw n TYR 72 N -3.87 -2.13 -4.22 1.24 4.01 -0.35 -4.75 117.16 107.09 3fsw n TYR 72 Ca -0.15 0.70 -0.17 0.00 -0.16 0.00 0.00 57.90 58.12 3fsw n TYR 72 Cb 0.62 -3.89 -0.13 0.00 -0.31 0.00 0.00 39.34 35.64 3fsw n TYR 72 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3fsw s LEU 73 N -6.92 2.18 0.06 7.72 1.43 -1.00 -4.13 118.68 118.03 3fsw s LEU 73 Ca 0.50 -0.44 -0.31 0.00 -1.03 0.00 0.00 54.13 52.85 3fsw s LEU 73 Cb -0.25 -0.41 -0.08 0.00 0.03 0.00 0.00 46.19 45.48 3fsw s LEU 73 CO 0.62 -0.04 1.69 -0.75 0.23 0.00 0.00 176.35 178.10 3fsw s LYS 74 N -1.16 4.18 0.26 1.70 2.20 -1.26 -4.79 119.74 120.87 3fsw s LYS 74 Ca -0.02 2.37 -0.30 0.00 -0.36 0.00 0.00 55.97 57.66 3fsw s LYS 74 Cb -0.08 -3.66 -0.14 0.00 -1.51 0.00 0.00 37.83 32.44 3fsw s LYS 74 CO 0.01 -0.77 1.24 -2.30 -0.36 0.00 0.00 175.35 173.17 3fsw n PRO 75 N 5.85 1.73 -3.89 4.03 -0.02 -1.26 -2.22 135.00 139.22 3fsw n PRO 75 Ca 0.16 0.61 -0.29 0.00 -2.02 0.00 0.00 63.50 61.97 3fsw n PRO 75 Cb 0.40 -2.16 0.02 0.00 -0.02 0.00 0.00 33.50 31.75 3fsw n PRO 75 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3fsw n ASP 76 N 1.63 -3.96 -4.63 2.55 8.00 -1.26 -4.90 116.55 113.98 3fsw n ASP 76 Ca 0.10 -0.80 -0.43 0.00 0.71 0.00 0.00 54.79 54.38 3fsw n ASP 76 Cb 0.31 -3.86 -0.02 0.00 -0.02 0.00 0.00 41.12 37.52 3fsw n ASP 76 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3fsw s ASP 77 N -3.54 6.49 0.57 -2.24 -1.08 -0.94 -4.87 116.67 111.05 3fsw s ASP 77 Ca 0.52 1.56 0.35 0.00 -0.52 0.00 0.00 52.55 54.47 3fsw s ASP 77 Cb -0.26 -2.53 1.55 0.00 -1.46 0.00 0.00 42.92 40.21 3fsw s ASP 77 CO 0.83 -1.18 2.05 0.77 0.52 0.00 0.00 175.17 178.17 3fsw h SER 78 N 10.22 0.00 1.30 -0.34 4.64 -1.91 -2.27 113.55 125.19 3fsw h SER 78 Ca -0.32 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.98 3fsw h SER 78 Cb 1.14 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.23 3fsw h SER 78 CO 1.00 0.01 -0.08 0.03 -0.87 0.00 0.00 176.83 176.93 3fsw h ARG 79 N 0.00 0.00 -6.50 4.77 3.08 -1.98 -3.43 114.38 110.32 3fsw h ARG 79 Ca -0.00 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.48 3fsw h ARG 79 Cb 0.42 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.39 3fsw h ARG 79 CO 0.00 0.08 0.84 0.08 -1.07 0.00 0.00 179.97 179.91 3fsw s VAL 80 N -3.49 4.22 0.11 2.04 1.01 -0.86 -4.51 120.40 118.92 3fsw s VAL 80 Ca 0.03 0.97 -0.12 0.00 0.00 0.00 0.00 61.98 62.86 3fsw s VAL 80 Cb 0.08 -4.60 -0.17 0.00 0.00 0.00 0.00 36.38 31.70 3fsw s VAL 80 CO 0.61 -1.07 1.30 0.40 0.00 0.00 0.00 175.10 176.34 3fsw h ILE 81 N 6.17 1.29 -1.92 2.22 2.04 -1.19 -3.47 117.51 122.66 3fsw h ILE 81 Ca -0.24 -2.04 0.00 0.00 1.00 0.00 0.00 64.86 63.58 3fsw h ILE 81 Cb 1.06 2.07 -0.20 0.00 -0.74 0.00 0.00 36.82 39.01 3fsw h ILE 81 CO 1.12 0.64 0.34 0.00 0.00 0.00 0.00 178.15 180.25 3fsw s ALA 82 N -3.66 -1.82 0.01 1.87 0.00 -1.20 -5.01 121.76 111.96 3fsw s ALA 82 Ca -0.10 1.35 -0.21 0.00 0.00 0.00 0.00 51.96 53.00 3fsw s ALA 82 Cb 0.08 -0.18 0.04 0.00 0.00 0.00 0.00 23.12 23.07 3fsw s ALA 82 CO 0.90 -0.39 0.47 -3.38 0.00 0.00 0.00 175.76 173.36 3fsw s HIS 83 N -1.44 -0.36 0.78 0.00 -3.43 -1.26 -0.36 115.29 109.22 3fsw s HIS 83 Ca -0.06 0.46 -0.07 0.00 -0.80 0.00 0.00 55.06 54.60 3fsw s HIS 83 Cb -0.00 0.26 0.13 0.00 -1.43 0.00 0.00 32.58 31.53 3fsw s HIS 83 CO 0.04 -0.56 1.09 0.95 -2.00 0.00 0.00 174.74 174.27 3fsw s THR 84 N -1.97 2.15 0.90 -5.38 -4.23 -0.37 -4.79 115.64 101.95 3fsw s THR 84 Ca -0.08 -0.32 -0.12 0.00 -1.18 0.00 0.00 61.69 59.99 3fsw s THR 84 Cb -0.02 -2.83 0.13 0.00 1.34 0.00 0.00 72.50 71.13 3fsw s THR 84 CO 0.02 0.00 1.10 -0.54 -0.54 0.00 0.00 174.62 174.66 3fsw s LYS 85 N -5.39 1.19 -0.03 3.99 3.01 -1.26 -4.60 119.74 116.66 3fsw s LYS 85 Ca 0.67 0.57 -0.26 0.00 -1.01 0.00 0.00 55.97 55.93 3fsw s LYS 85 Cb -0.07 -1.82 -0.04 0.00 -1.01 0.00 0.00 37.83 34.90 3fsw s LYS 85 CO 0.47 -2.22 0.81 -1.17 0.51 0.00 0.00 175.35 173.75 3fsw s LEU 86 N -6.14 4.35 0.16 3.17 2.96 -1.26 -4.36 118.68 117.57 3fsw s LEU 86 Ca 0.63 1.39 0.08 0.00 -0.22 0.00 0.00 54.13 56.01 3fsw s LEU 86 Cb -0.16 -3.28 -0.04 0.00 0.50 0.00 0.00 46.19 43.21 3fsw s LEU 86 CO 0.56 -0.15 -0.17 0.27 -1.32 0.00 0.00 176.35 175.53 3fsw s ILE 87 N 0.78 1.74 0.08 6.68 -4.36 0.18 -4.89 121.20 121.41 3fsw s ILE 87 Ca 0.43 -1.93 0.00 0.00 -0.26 0.00 0.00 60.65 58.89 3fsw s ILE 87 Cb -0.19 -1.83 0.00 0.00 1.25 0.00 0.00 42.46 41.69 3fsw s ILE 87 CO 0.22 -0.37 0.02 0.61 0.24 0.00 0.00 174.94 175.67 3fsw n GLY 88 N 0.23 3.71 3.70 6.27 0.00 -1.26 -0.63 105.19 117.21 3fsw n GLY 88 Ca -0.13 -2.22 -0.43 0.00 0.00 0.00 0.00 46.02 43.24 3fsw n GLY 88 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3fsw n SER 89 N -1.38 3.00 0.00 1.61 3.41 -0.65 -1.95 113.62 117.66 3fsw n SER 89 Ca -0.02 1.16 0.00 0.00 -0.26 0.00 0.00 58.87 59.75 3fsw n SER 89 Cb 0.10 -1.48 0.00 0.00 -0.26 0.00 0.00 64.21 62.57 3fsw n SER 89 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fsw n GLY 90 N 1.70 1.16 3.97 5.00 0.00 -0.07 -4.99 105.19 111.97 3fsw n GLY 90 Ca 0.09 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.90 3fsw n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fsw s GLU 91 N -0.13 3.26 0.03 1.61 2.02 -0.82 -4.92 118.70 119.75 3fsw s GLU 91 Ca 0.00 -0.77 -0.05 0.00 0.02 0.00 0.00 54.97 54.17 3fsw s GLU 91 Cb 0.00 -2.79 -0.01 0.00 0.10 0.00 0.00 34.13 31.43 3fsw s GLU 91 CO 0.00 0.14 0.08 0.15 0.02 0.00 0.00 175.26 175.65 3fsw s LYS 92 N -4.19 0.56 -0.07 1.61 1.02 -1.26 -1.86 119.74 115.55 3fsw s LYS 92 Ca 0.41 -0.75 -0.20 0.00 0.02 0.00 0.00 55.97 55.46 3fsw s LYS 92 Cb -0.09 0.22 0.04 0.00 -0.52 0.00 0.00 37.83 37.47 3fsw s LYS 92 CO 0.32 -0.13 0.46 0.34 -0.92 0.00 0.00 175.35 175.41 3fsw s ASP 93 N -2.07 -0.40 0.14 2.83 2.15 -0.37 -5.01 116.67 113.93 3fsw s ASP 93 Ca -0.06 0.50 0.10 0.00 0.43 0.00 0.00 52.55 53.52 3fsw s ASP 93 Cb -0.02 0.56 -0.04 0.00 -0.30 0.00 0.00 42.92 43.12 3fsw s ASP 93 CO -0.04 -0.41 -0.22 -0.44 -0.17 0.00 0.00 175.17 173.89 3fsw s SER 94 N -0.85 3.62 -0.00 -0.34 0.01 -1.26 -0.79 113.70 114.08 3fsw s SER 94 Ca -0.09 -0.69 0.02 0.00 1.31 0.00 0.00 55.95 56.51 3fsw s SER 94 Cb -0.03 -0.38 -0.01 0.00 0.21 0.00 0.00 66.02 65.81 3fsw s SER 94 CO 0.05 0.16 -0.08 0.54 0.41 0.00 0.00 173.24 174.32 3fsw s VAL 95 N -1.23 0.60 -0.02 3.43 0.11 -0.49 -4.85 120.40 117.94 3fsw s VAL 95 Ca 0.17 -0.38 0.05 0.00 -2.93 0.00 0.00 61.98 58.90 3fsw s VAL 95 Cb -0.10 -0.52 -0.01 0.00 -1.53 0.00 0.00 36.38 34.22 3fsw s VAL 95 CO 0.09 0.13 -0.18 -0.89 -3.33 0.00 0.00 175.10 170.92 3fsw s THR 96 N -0.26 1.48 0.07 5.04 2.01 -1.26 -0.45 115.64 122.27 3fsw s THR 96 Ca 0.02 -0.78 -0.04 0.00 0.31 0.00 0.00 61.69 61.19 3fsw s THR 96 Cb -0.03 -1.24 -0.02 0.00 0.01 0.00 0.00 72.50 71.21 3fsw s THR 96 CO -0.00 0.42 0.07 0.72 -0.69 0.00 0.00 174.62 175.14 3fsw s PHE 97 N -0.29 0.36 0.08 4.92 -0.71 0.17 -4.95 117.98 117.56 3fsw s PHE 97 Ca 0.04 -0.86 -0.30 0.00 -1.04 0.00 0.00 56.93 54.77 3fsw s PHE 97 Cb -0.09 -0.25 -0.06 0.00 -1.21 0.00 0.00 43.02 41.42 3fsw s PHE 97 CO 0.00 -0.45 1.16 -0.51 -1.34 0.00 0.00 175.22 174.08 3fsw s ASP 98 N -2.90 7.14 0.56 1.98 -0.00 -1.26 -0.53 116.67 121.66 3fsw s ASP 98 Ca 0.06 2.00 0.34 0.00 -0.00 0.00 0.00 52.55 54.95 3fsw s ASP 98 Cb 0.07 -2.58 1.56 0.00 -0.00 0.00 0.00 42.92 41.96 3fsw s ASP 98 CO -0.10 -0.40 2.06 0.58 -0.00 0.00 0.00 175.17 177.31 3fsw h VAL 99 N 4.38 0.15 0.00 -1.27 2.07 -1.73 -2.20 116.25 117.64 3fsw h VAL 99 Ca -0.42 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 66.62 3fsw h VAL 99 Cb 1.21 1.41 0.00 0.00 -1.52 0.00 0.00 31.29 32.39 3fsw h VAL 99 CO 0.79 0.04 0.00 0.77 0.02 0.00 0.00 177.57 179.19 3fsw h SER 100 N 0.00 0.00 1.40 0.57 4.64 -1.90 -1.62 113.55 116.64 3fsw h SER 100 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3fsw h SER 100 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 3fsw h SER 100 CO 0.01 0.00 0.00 0.11 -0.87 0.00 0.00 176.83 176.08 3fsw h LYS 101 N 0.00 0.00 -6.42 4.77 6.56 -1.80 -3.45 116.57 116.23 3fsw h LYS 101 Ca 0.00 0.00 -0.52 0.00 -1.06 0.00 0.00 60.65 59.07 3fsw h LYS 101 Cb 0.27 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.92 3fsw h LYS 101 CO 0.00 0.00 -0.18 -0.51 -2.06 0.00 0.00 179.45 176.70 3fsw s LEU 102 N -5.99 4.11 -0.07 2.94 1.43 -0.61 -5.11 118.68 115.38 3fsw s LEU 102 Ca 0.04 0.66 0.02 0.00 -1.03 0.00 0.00 54.13 53.83 3fsw s LEU 102 Cb 0.08 -3.46 -0.03 0.00 0.03 0.00 0.00 46.19 42.81 3fsw s LEU 102 CO 0.58 -0.15 -0.12 -0.54 0.23 0.00 0.00 176.35 176.35 3fsw s LYS 103 N -3.42 2.71 -0.26 1.70 -0.14 -1.26 -5.01 119.74 114.05 3fsw s LYS 103 Ca 0.43 -0.66 -0.39 0.00 -1.36 0.00 0.00 55.97 53.99 3fsw s LYS 103 Cb -0.11 -2.47 -0.15 0.00 -1.68 0.00 0.00 37.83 33.42 3fsw s LYS 103 CO 0.29 0.56 1.77 0.39 -0.76 0.00 0.00 175.35 177.60 3fsw n GLU 104 N 2.50 1.28 -0.93 1.68 -0.58 -1.26 -1.94 120.64 121.38 3fsw n GLU 104 Ca -0.17 0.47 0.00 0.00 -0.42 0.00 0.00 57.16 57.03 3fsw n GLU 104 Cb 0.52 -2.17 0.00 0.00 -0.57 0.00 0.00 31.44 29.22 3fsw n GLU 104 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3fsw n GLY 105 N 4.25 0.41 3.68 0.62 0.00 -1.00 -4.99 105.19 108.16 3fsw n GLY 105 Ca 0.26 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.86 3fsw n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3fsw s GLU 106 N -0.65 4.32 -0.76 1.61 2.12 -0.82 -4.96 118.70 119.56 3fsw s GLU 106 Ca 0.00 1.64 -0.25 0.00 0.36 0.00 0.00 54.97 56.72 3fsw s GLU 106 Cb 0.00 -3.62 0.04 0.00 0.26 0.00 0.00 34.13 30.82 3fsw s GLU 106 CO 0.00 -0.52 1.23 -1.14 -0.54 0.00 0.00 175.26 174.29 3fsw s GLN 107 N 2.60 3.23 0.72 4.30 0.74 -1.26 -4.33 119.66 125.66 3fsw s GLN 107 Ca 0.55 -0.50 -0.11 0.00 0.05 0.00 0.00 55.36 55.35 3fsw s GLN 107 Cb -0.23 -4.34 0.03 0.00 1.10 0.00 0.00 33.01 29.57 3fsw s GLN 107 CO 0.19 -2.08 1.09 0.71 -0.55 0.00 0.00 175.29 174.66 3fsw s TYR 108 N 5.22 3.22 -0.09 1.67 2.02 0.78 -4.31 117.35 125.86 3fsw s TYR 108 Ca 0.33 0.93 -0.01 0.00 -0.37 0.00 0.00 57.07 57.95 3fsw s TYR 108 Cb -0.09 -3.13 -0.03 0.00 -0.40 0.00 0.00 41.96 38.31 3fsw s TYR 108 CO 0.11 -1.28 -0.05 -1.64 -1.57 0.00 0.00 175.55 171.12 3fsw s MET 109 N -5.37 3.00 0.26 -0.62 -1.94 -0.32 -0.62 119.30 113.70 3fsw s MET 109 Ca 0.59 -0.51 0.08 0.00 -1.71 0.00 0.00 55.69 54.13 3fsw s MET 109 Cb -0.11 -2.70 -0.04 0.00 2.01 0.00 0.00 34.83 33.99 3fsw s MET 109 CO 0.50 0.58 0.15 -0.59 -0.01 0.00 0.00 175.02 175.66 3fsw s PHE 110 N -0.58 3.00 -0.03 -0.03 -0.12 0.02 -1.90 117.98 118.34 3fsw s PHE 110 Ca 0.09 -0.15 -0.31 0.00 -0.05 0.00 0.00 56.93 56.51 3fsw s PHE 110 Cb -0.12 -1.37 0.12 0.00 -0.63 0.00 0.00 43.02 41.02 3fsw s PHE 110 CO 0.02 0.53 1.20 -0.59 -0.05 0.00 0.00 175.22 176.33 3fsw s PHE 111 N -2.19 -0.09 -0.17 3.49 -0.71 -0.78 -1.27 117.98 116.25 3fsw s PHE 111 Ca 0.33 -0.03 -0.13 0.00 -1.04 0.00 0.00 56.93 56.06 3fsw s PHE 111 Cb -0.07 0.55 -0.05 0.00 -1.21 0.00 0.00 43.02 42.24 3fsw s PHE 111 CO 0.24 -0.35 0.27 0.00 -1.34 0.00 0.00 175.22 174.03 3fsw h ALA 113 N 6.74 0.61 -2.40 0.00 0.00 -1.87 -3.05 119.26 119.29 3fsw h ALA 113 Ca -0.41 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 53.92 3fsw h ALA 113 Cb 1.16 0.00 0.14 0.00 0.00 0.00 0.00 17.79 19.10 3fsw h ALA 113 CO 0.75 0.00 -0.04 0.00 0.00 0.00 0.00 179.25 179.96 3fsw n ALA 114 N -2.06 -0.37 -1.04 0.00 0.00 -1.26 -4.61 120.51 111.17 3fsw n ALA 114 Ca 0.02 0.15 -0.49 0.00 0.00 0.00 0.00 53.44 53.11 3fsw n ALA 114 Cb 0.51 -1.98 -0.10 0.00 0.00 0.00 0.00 19.45 17.88 3fsw n ALA 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fsw n ALA 115 N -0.92 0.10 -1.06 0.00 0.00 -1.26 -1.67 120.51 115.70 3fsw n ALA 115 Ca 0.11 0.17 -0.02 0.00 0.00 0.00 0.00 53.44 53.70 3fsw n ALA 115 Cb 0.41 -1.68 -0.01 0.00 0.00 0.00 0.00 19.45 18.17 3fsw n ALA 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fsw n ALA 116 N 5.91 -0.03 -0.01 0.00 0.00 -1.26 -4.89 120.51 120.23 3fsw n ALA 116 Ca 0.43 0.04 -0.01 0.00 0.00 0.00 0.00 53.44 53.90 3fsw n ALA 116 Cb -0.03 -0.66 -0.12 0.00 0.00 0.00 0.00 19.45 18.63 3fsw n ALA 116 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3fsw n HIS 117 N -2.71 0.51 -0.19 0.00 -0.00 -0.67 -4.51 115.22 107.65 3fsw n HIS 117 Ca -0.02 0.17 0.19 0.00 -0.00 0.00 0.00 57.72 58.06 3fsw n HIS 117 Cb 0.18 -0.94 0.54 0.00 -0.00 0.00 0.00 29.99 29.78 3fsw n HIS 117 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3fsw h ALA 118 N 1.43 2.26 -0.64 -1.41 0.00 -1.71 0.61 119.26 119.80 3fsw h ALA 118 Ca -0.24 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 3fsw h ALA 118 Cb 1.65 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.39 3fsw h ALA 118 CO 0.03 -0.51 0.16 0.00 0.00 0.00 0.00 179.25 178.94 3fsw h ALA 119 N 1.62 0.85 -0.02 0.00 0.00 -1.89 -3.20 119.26 116.62 3fsw h ALA 119 Ca 0.42 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3fsw h ALA 119 Cb 1.11 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3fsw h ALA 119 CO -0.13 0.55 -0.24 0.00 0.00 0.00 0.00 179.25 179.43 3fsw n ALA 120 N -2.43 3.00 -3.66 0.00 0.00 -0.74 -4.73 120.51 111.96 3fsw n ALA 120 Ca 0.04 -0.62 -0.28 0.00 0.00 0.00 0.00 53.44 52.58 3fsw n ALA 120 Cb 0.24 -0.68 -0.12 0.00 0.00 0.00 0.00 19.45 18.89 3fsw n ALA 120 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3fsw s MET 121 N -1.99 1.43 0.19 0.00 1.00 0.13 -4.61 119.30 115.45 3fsw s MET 121 Ca 0.19 -2.32 -0.21 0.00 0.00 0.00 0.00 55.69 53.35 3fsw s MET 121 Cb 0.16 -2.29 0.05 0.00 0.00 0.00 0.00 34.83 32.74 3fsw s MET 121 CO 0.39 -1.26 0.60 -1.59 0.00 0.00 0.00 175.02 173.17 3fsw s LYS 122 N -0.12 1.41 0.02 2.03 -2.85 -1.26 -1.46 119.74 117.51 3fsw s LYS 122 Ca 0.24 -0.69 -0.13 0.00 -1.00 0.00 0.00 55.97 54.39 3fsw s LYS 122 Cb -0.12 0.57 0.04 0.00 -2.06 0.00 0.00 37.83 36.27 3fsw s LYS 122 CO -0.09 -0.62 0.58 0.41 0.10 0.00 0.00 175.35 175.72 3fsw n GLY 123 N -0.38 0.62 3.53 0.59 0.00 -0.40 -4.73 105.19 104.42 3fsw n GLY 123 Ca -0.12 -0.97 -0.30 0.00 0.00 0.00 0.00 46.02 44.63 3fsw n GLY 123 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3fsw s THR 124 N -2.17 3.11 -0.07 2.61 -4.23 -0.97 -0.80 115.64 113.12 3fsw s THR 124 Ca 0.13 -1.37 0.02 0.00 -1.18 0.00 0.00 61.69 59.29 3fsw s THR 124 Cb -0.01 -2.44 0.02 0.00 1.34 0.00 0.00 72.50 71.41 3fsw s THR 124 CO 0.01 0.12 -0.10 -0.22 -0.54 0.00 0.00 174.62 173.88 3fsw s LEU 125 N -2.15 1.52 -0.02 4.79 0.20 0.21 -0.44 118.68 122.80 3fsw s LEU 125 Ca 0.20 -0.26 0.01 0.00 0.69 0.00 0.00 54.13 54.76 3fsw s LEU 125 Cb -0.11 -0.75 0.01 0.00 -0.43 0.00 0.00 46.19 44.91 3fsw s LEU 125 CO 0.12 -0.00 -0.04 -0.89 -0.29 0.00 0.00 176.35 175.24 3fsw s THR 126 N 0.85 0.38 0.03 3.68 2.01 -0.65 -0.16 115.64 121.78 3fsw s THR 126 Ca -0.11 -0.14 -0.30 0.00 0.31 0.00 0.00 61.69 61.44 3fsw s THR 126 Cb -0.15 -0.36 -0.04 0.00 0.01 0.00 0.00 72.50 71.96 3fsw s THR 126 CO 0.01 0.14 1.00 -0.22 -0.69 0.00 0.00 174.62 174.86 3fsw s LEU 127 N 0.27 4.40 0.00 4.42 2.96 -1.26 -0.70 118.68 128.77 3fsw s LEU 127 Ca -0.03 1.73 0.00 0.00 -0.22 0.00 0.00 54.13 55.61 3fsw s LEU 127 Cb -0.06 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 43.05 3fsw s LEU 127 CO -0.00 -0.24 0.29 2.29 -1.32 0.00 0.00 176.35 177.37