#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fjf n PHE 1 N 0.00 1.44 -2.69 -1.40 7.35 -1.26 -5.02 117.46 115.87 3fjf n PHE 1 Ca 0.00 -1.83 -0.43 0.00 -0.76 0.00 0.00 57.45 54.43 3fjf n PHE 1 Cb 0.00 -0.27 -0.02 0.00 0.35 0.00 0.00 39.48 39.54 3fjf n PHE 1 CO 0.00 0.00 0.00 -0.80 -0.76 0.00 0.00 176.76 175.20 3fjf s ASN 2 N -3.37 7.07 -0.02 -2.13 0.01 -1.26 -5.02 114.94 110.22 3fjf s ASN 2 Ca 0.40 1.34 -0.01 0.00 -0.71 0.00 0.00 52.86 53.88 3fjf s ASN 2 Cb 0.37 -2.53 -0.04 0.00 0.41 0.00 0.00 41.25 39.47 3fjf s ASN 2 CO -0.03 -0.64 0.08 -0.76 -1.51 0.00 0.00 177.10 174.24 3fjf s LEU 3 N 3.10 3.91 0.70 0.60 1.43 -1.26 -0.77 118.68 126.38 3fjf s LEU 3 Ca 0.43 0.17 -0.12 0.00 -1.03 0.00 0.00 54.13 53.58 3fjf s LEU 3 Cb -0.15 -2.24 0.01 0.00 0.03 0.00 0.00 46.19 43.84 3fjf s LEU 3 CO 0.07 0.29 1.07 -2.16 0.23 0.00 0.00 176.35 175.84 3fjf s PRO 4 N -1.65 2.84 0.84 1.29 0.04 -1.26 -4.60 135.00 132.50 3fjf s PRO 4 Ca 0.22 1.05 -0.13 0.00 0.04 0.00 0.00 61.00 62.19 3fjf s PRO 4 Cb -0.12 -1.97 0.11 0.00 0.04 0.00 0.00 34.50 32.56 3fjf s PRO 4 CO 0.13 -1.18 1.21 -1.25 0.04 0.00 0.00 177.00 175.94 3fjf s PRO 5 N -4.84 1.60 0.00 0.56 0.04 -1.26 -4.95 135.00 126.15 3fjf s PRO 5 Ca 0.60 -0.07 0.00 0.00 0.04 0.00 0.00 61.00 61.56 3fjf s PRO 5 Cb -0.15 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.45 3fjf s PRO 5 CO 0.52 -1.80 0.00 0.41 0.04 0.00 0.00 177.00 176.17 3fjf n GLY 6 N -3.41 1.21 0.00 0.56 0.00 -1.26 -5.10 105.19 97.19 3fjf n GLY 6 Ca 0.10 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 44.24 3fjf n GLY 6 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3fjf n ASN 7 N -0.31 0.17 -0.66 1.61 0.23 -1.26 -5.06 115.26 109.97 3fjf n ASN 7 Ca 0.00 -0.99 0.06 0.00 -0.53 0.00 0.00 54.58 53.13 3fjf n ASN 7 Cb 0.00 0.00 0.18 0.00 -2.08 0.00 0.00 39.78 37.88 3fjf n ASN 7 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 3fjf n TYR 8 N 0.00 0.58 -0.29 -2.53 4.01 -1.26 -4.67 117.16 113.00 3fjf n TYR 8 Ca 0.00 -0.65 0.09 0.00 -0.16 0.00 0.00 57.90 57.18 3fjf n TYR 8 Cb 0.00 -0.14 0.24 0.00 -0.31 0.00 0.00 39.34 39.14 3fjf n TYR 8 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 3fjf h LYS 9 N 1.73 0.45 -6.02 -0.72 1.57 -1.97 -3.43 116.57 108.18 3fjf h LYS 9 Ca 0.00 -0.03 -0.57 0.00 -1.87 0.00 0.00 60.65 58.19 3fjf h LYS 9 Cb 0.98 -0.10 -0.14 0.00 0.08 0.00 0.00 32.23 33.05 3fjf h LYS 9 CO 0.08 0.30 -0.75 0.15 -0.57 0.00 0.00 179.45 178.66 3fjf s LYS 10 N -5.96 1.59 0.96 3.15 1.02 -1.26 -5.12 119.74 114.12 3fjf s LYS 10 Ca -0.12 -1.73 -0.12 0.00 0.02 0.00 0.00 55.97 54.02 3fjf s LYS 10 Cb 0.23 -1.59 0.16 0.00 -0.52 0.00 0.00 37.83 36.11 3fjf s LYS 10 CO 0.77 0.28 1.09 -1.25 -0.92 0.00 0.00 175.35 175.32 3fjf s PRO 11 N -3.55 0.77 0.33 -1.68 0.04 -1.26 -4.76 135.00 124.88 3fjf s PRO 11 Ca 0.28 0.75 -0.15 0.00 0.04 0.00 0.00 61.00 61.92 3fjf s PRO 11 Cb -0.03 -1.76 0.03 0.00 0.04 0.00 0.00 34.50 32.78 3fjf s PRO 11 CO 0.13 -2.56 0.68 -1.59 0.04 0.00 0.00 177.00 173.70 3fjf s LYS 12 N -4.89 1.96 0.02 4.56 0.00 0.76 -4.42 119.74 117.74 3fjf s LYS 12 Ca 0.65 -1.33 0.03 0.00 0.00 0.00 0.00 55.97 55.32 3fjf s LYS 12 Cb -0.19 0.57 -0.04 0.00 0.00 0.00 0.00 37.83 38.18 3fjf s LYS 12 CO 0.58 -0.89 -0.03 -0.51 0.00 0.00 0.00 175.35 174.50 3fjf s LEU 13 N -3.04 3.35 -0.37 2.77 1.43 0.17 -0.76 118.68 122.23 3fjf s LEU 13 Ca 0.17 -0.11 -0.06 0.00 -1.03 0.00 0.00 54.13 53.10 3fjf s LEU 13 Cb -0.04 -1.97 0.06 0.00 0.03 0.00 0.00 46.19 44.27 3fjf s LEU 13 CO 0.11 0.25 0.15 -0.76 0.23 0.00 0.00 176.35 176.33 3fjf s LEU 14 N -1.69 4.65 -0.24 1.79 1.43 -1.26 -0.09 118.68 123.26 3fjf s LEU 14 Ca 0.20 -1.40 -0.18 0.00 -1.03 0.00 0.00 54.13 51.72 3fjf s LEU 14 Cb -0.11 -1.88 -0.03 0.00 0.03 0.00 0.00 46.19 44.20 3fjf s LEU 14 CO 0.11 -0.41 0.50 -0.47 0.23 0.00 0.00 176.35 176.31 3fjf s TYR 15 N 1.35 3.31 -0.26 0.29 5.04 -0.22 -1.36 117.35 125.49 3fjf s TYR 15 Ca 0.01 0.67 -0.16 0.00 -2.44 0.00 0.00 57.07 55.14 3fjf s TYR 15 Cb -0.21 -2.69 -0.03 0.00 0.35 0.00 0.00 41.96 39.38 3fjf s TYR 15 CO 0.01 -0.20 0.44 0.00 -1.34 0.00 0.00 175.55 174.46 3fjf n SER 17 N 5.42 0.22 0.24 0.00 3.41 -1.12 -0.80 113.62 120.98 3fjf n SER 17 Ca -0.06 0.55 -0.15 0.00 -0.26 0.00 0.00 58.87 58.95 3fjf n SER 17 Cb 0.50 -0.60 -0.08 0.00 -0.26 0.00 0.00 64.21 63.77 3fjf n SER 17 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 3fjf h ASN 18 N 0.00 -0.48 -0.00 4.04 -1.24 -1.81 -3.35 115.58 112.74 3fjf h ASN 18 Ca 0.00 -0.05 0.00 0.00 0.71 0.00 0.00 56.30 56.96 3fjf h ASN 18 Cb 0.31 0.12 0.00 0.00 0.73 0.00 0.00 38.32 39.49 3fjf h ASN 18 CO 0.00 -0.25 -0.08 0.61 -1.29 0.00 0.00 177.43 176.42 3fjf n GLY 19 N -0.97 0.03 1.43 1.57 0.00 -1.24 -4.77 105.19 101.24 3fjf n GLY 19 Ca -0.11 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.83 3fjf n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fjf n GLY 20 N 0.74 0.81 3.72 -0.02 0.00 0.02 -5.00 105.19 105.46 3fjf n GLY 20 Ca 0.01 -0.64 -0.31 0.00 0.00 0.00 0.00 46.02 45.08 3fjf n GLY 20 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3fjf s HIS 21 N -2.22 3.09 -0.01 1.61 3.76 -1.03 -4.59 115.29 115.90 3fjf s HIS 21 Ca 0.00 0.03 -0.17 0.00 -0.15 0.00 0.00 55.06 54.77 3fjf s HIS 21 Cb 0.00 -1.59 -0.06 0.00 1.11 0.00 0.00 32.58 32.05 3fjf s HIS 21 CO 0.00 0.50 0.49 -0.06 -0.85 0.00 0.00 174.74 174.81 3fjf s PHE 22 N -1.32 3.69 0.16 1.40 0.08 -0.18 -0.30 117.98 121.50 3fjf s PHE 22 Ca 0.27 1.06 -0.31 0.00 0.12 0.00 0.00 56.93 58.06 3fjf s PHE 22 Cb -0.12 -2.44 -0.10 0.00 -0.57 0.00 0.00 43.02 39.79 3fjf s PHE 22 CO 0.19 0.48 1.52 -1.17 -0.10 0.00 0.00 175.22 176.13 3fjf s LEU 23 N -0.55 4.37 -0.02 -0.37 2.96 -0.47 -1.64 118.68 122.97 3fjf s LEU 23 Ca 0.26 2.55 0.04 0.00 -0.22 0.00 0.00 54.13 56.77 3fjf s LEU 23 Cb -0.17 -3.59 -0.01 0.00 0.50 0.00 0.00 46.19 42.92 3fjf s LEU 23 CO 0.14 -0.77 -0.15 -0.60 -1.32 0.00 0.00 176.35 173.65 3fjf s ARG 24 N 1.03 1.27 -0.31 1.98 3.52 0.16 -4.46 118.95 122.13 3fjf s ARG 24 Ca 0.68 -0.53 0.02 0.00 -0.13 0.00 0.00 55.73 55.77 3fjf s ARG 24 Cb -0.42 -1.21 0.08 0.00 -1.56 0.00 0.00 34.95 31.84 3fjf s ARG 24 CO 0.32 0.30 0.00 0.42 -0.81 0.00 0.00 175.30 175.53 3fjf s ILE 25 N -0.28 2.44 0.66 4.11 1.01 -0.94 -1.41 121.20 126.79 3fjf s ILE 25 Ca 0.04 -1.94 -0.13 0.00 0.00 0.00 0.00 60.65 58.63 3fjf s ILE 25 Cb -0.07 -2.61 -0.01 0.00 0.01 0.00 0.00 42.46 39.79 3fjf s ILE 25 CO -0.00 -0.34 1.06 -0.76 0.00 0.00 0.00 174.94 174.90 3fjf s LEU 26 N 1.04 3.29 0.45 2.97 1.43 -0.01 -4.84 118.68 123.01 3fjf s LEU 26 Ca 0.01 1.73 0.17 0.00 -1.03 0.00 0.00 54.13 55.01 3fjf s LEU 26 Cb -0.20 -4.51 1.11 0.00 0.03 0.00 0.00 46.19 42.61 3fjf s LEU 26 CO -0.06 -1.37 1.94 -0.65 0.23 0.00 0.00 176.35 176.45 3fjf h PRO 27 N -0.23 0.34 0.00 1.29 0.11 -1.99 0.64 132.00 132.16 3fjf h PRO 27 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3fjf h PRO 27 Cb 1.22 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3fjf h PRO 27 CO 0.57 0.22 0.00 -0.40 -0.21 0.00 0.00 178.00 178.18 3fjf n ASP 28 N -4.46 0.00 0.00 -2.05 5.75 -1.26 -4.87 116.55 109.66 3fjf n ASP 28 Ca 0.13 -1.32 0.00 0.00 -0.01 0.00 0.00 54.79 53.58 3fjf n ASP 28 Cb 0.52 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.61 3fjf n ASP 28 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3fjf n GLY 29 N 0.78 0.76 3.81 6.12 0.00 0.22 -4.96 105.19 111.92 3fjf n GLY 29 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 3fjf n GLY 29 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3fjf s THR 30 N -2.84 4.00 -0.08 2.61 -1.32 -1.25 -0.60 115.64 116.15 3fjf s THR 30 Ca 0.00 1.19 0.04 0.00 -1.21 0.00 0.00 61.69 61.71 3fjf s THR 30 Cb 0.00 -3.50 0.00 0.00 -1.51 0.00 0.00 72.50 67.49 3fjf s THR 30 CO 0.00 -0.33 -0.21 -0.69 -2.21 0.00 0.00 174.62 171.19 3fjf s VAL 31 N -2.13 1.78 0.00 5.08 1.01 -1.26 -0.83 120.40 124.04 3fjf s VAL 31 Ca 0.65 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.76 3fjf s VAL 31 Cb -0.14 -1.54 0.00 0.00 0.00 0.00 0.00 36.38 34.70 3fjf s VAL 31 CO 0.21 0.50 0.00 -0.90 0.00 0.00 0.00 175.10 174.91 3fjf n ASP 32 N 3.49 0.00 -4.04 3.32 5.75 -0.50 -4.39 116.55 120.18 3fjf n ASP 32 Ca -0.20 0.00 -0.11 0.00 -0.01 0.00 0.00 54.79 54.47 3fjf n ASP 32 Cb 0.53 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 40.50 3fjf n ASP 32 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3fjf s GLY 33 N 0.00 0.42 0.01 6.12 0.00 0.18 0.37 107.32 114.43 3fjf s GLY 33 Ca 0.00 -0.74 -0.01 0.00 0.00 0.00 0.00 44.72 43.97 3fjf s GLY 33 CO 0.00 -0.80 0.00 -1.08 0.00 0.00 0.00 173.10 171.22 3fjf s THR 34 N -1.58 0.09 -1.64 0.90 -1.32 -0.65 -4.77 115.64 106.67 3fjf s THR 34 Ca -0.11 -0.77 0.28 0.00 -1.21 0.00 0.00 61.69 59.88 3fjf s THR 34 Cb -0.09 -0.26 0.38 0.00 -1.51 0.00 0.00 72.50 71.02 3fjf s THR 34 CO -0.01 -0.42 1.76 0.54 -2.21 0.00 0.00 174.62 174.28 3fjf n ARG 35 N 1.75 0.69 -2.38 7.08 1.74 -1.26 -1.01 116.66 123.27 3fjf n ARG 35 Ca -0.22 -0.30 -0.41 0.00 -0.77 0.00 0.00 57.85 56.15 3fjf n ARG 35 Cb 0.56 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.47 3fjf n ARG 35 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3fjf s ASP 36 N -2.51 5.94 0.09 0.55 2.15 -1.26 -4.85 116.67 116.78 3fjf s ASP 36 Ca 0.26 -0.01 0.14 0.00 0.43 0.00 0.00 52.55 53.38 3fjf s ASP 36 Cb 0.20 -2.55 0.62 0.00 -0.30 0.00 0.00 42.92 40.89 3fjf s ASP 36 CO 0.50 -1.92 1.44 -1.14 -0.17 0.00 0.00 175.17 173.88 3fjf n ARG 37 N 9.08 0.06 0.00 4.34 0.63 -1.26 -1.92 116.66 127.59 3fjf n ARG 37 Ca 0.10 0.37 0.13 0.00 -0.92 0.00 0.00 57.85 57.54 3fjf n ARG 37 Cb 0.50 -1.62 0.27 0.00 0.45 0.00 0.00 32.46 32.06 3fjf n ARG 37 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 3fjf n SER 38 N -1.73 2.12 -4.73 6.15 3.41 -1.26 -4.96 113.62 112.62 3fjf n SER 38 Ca 0.02 -1.64 -0.42 0.00 -0.26 0.00 0.00 58.87 56.57 3fjf n SER 38 Cb 0.14 0.07 -0.02 0.00 -0.26 0.00 0.00 64.21 64.14 3fjf n SER 38 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3fjf n ASP 39 N 0.53 3.54 -0.19 4.04 -0.08 -0.81 -4.89 116.55 118.71 3fjf n ASP 39 Ca 0.15 1.15 0.09 0.00 -1.51 0.00 0.00 54.79 54.67 3fjf n ASP 39 Cb 0.47 -1.55 0.43 0.00 2.34 0.00 0.00 41.12 42.81 3fjf n ASP 39 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3fjf n GLN 40 N 2.00 1.24 -0.13 -0.67 1.13 -1.26 -3.62 117.38 116.07 3fjf n GLN 40 Ca 0.09 -0.37 0.07 0.00 -1.94 0.00 0.00 57.00 54.85 3fjf n GLN 40 Cb 0.35 -1.29 0.13 0.00 0.11 0.00 0.00 30.24 29.55 3fjf n GLN 40 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 3fjf n HIS 41 N -0.39 0.22 0.65 1.08 8.25 -1.26 -4.51 115.22 119.26 3fjf n HIS 41 Ca 0.13 -0.82 0.07 0.00 -0.26 0.00 0.00 57.72 56.84 3fjf n HIS 41 Cb 0.14 -0.15 -0.02 0.00 1.12 0.00 0.00 29.99 31.08 3fjf n HIS 41 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 3fjf n ILE 42 N -0.88 0.00 -2.51 1.59 -5.35 -1.24 -2.21 119.36 108.76 3fjf n ILE 42 Ca 0.13 -0.30 -0.43 0.00 -0.27 0.00 0.00 62.75 61.88 3fjf n ILE 42 Cb 0.58 1.13 -0.02 0.00 -1.74 0.00 0.00 39.64 39.59 3fjf n ILE 42 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 3fjf s GLN 43 N -1.91 4.01 -0.04 6.28 1.11 -1.26 -4.50 119.66 123.35 3fjf s GLN 43 Ca 0.10 1.21 0.06 0.00 0.01 0.00 0.00 55.36 56.74 3fjf s GLN 43 Cb 0.11 -3.81 -0.02 0.00 -1.01 0.00 0.00 33.01 28.29 3fjf s GLN 43 CO 0.42 -0.99 -0.22 -0.51 0.01 0.00 0.00 175.29 174.00 3fjf s LEU 44 N 3.99 2.25 -0.30 2.90 1.43 0.06 -1.84 118.68 127.17 3fjf s LEU 44 Ca 0.51 -0.40 -0.06 0.00 -1.03 0.00 0.00 54.13 53.15 3fjf s LEU 44 Cb -0.15 -1.41 0.02 0.00 0.03 0.00 0.00 46.19 44.68 3fjf s LEU 44 CO 0.19 0.31 0.07 -1.58 0.23 0.00 0.00 176.35 175.57 3fjf s GLN 45 N -0.52 2.97 0.28 1.70 2.00 0.16 -0.17 119.66 126.07 3fjf s GLN 45 Ca 0.07 -0.93 -0.06 0.00 -2.00 0.00 0.00 55.36 52.44 3fjf s GLN 45 Cb -0.11 -3.35 -0.06 0.00 0.80 0.00 0.00 33.01 30.29 3fjf s GLN 45 CO 0.01 -0.48 0.56 -0.51 -0.50 0.00 0.00 175.29 174.36 3fjf s LEU 46 N 1.46 4.08 0.04 3.68 1.02 -1.26 -1.33 118.68 126.37 3fjf s LEU 46 Ca 0.01 0.77 -0.11 0.00 0.02 0.00 0.00 54.13 54.83 3fjf s LEU 46 Cb -0.18 -3.58 0.01 0.00 0.02 0.00 0.00 46.19 42.46 3fjf s LEU 46 CO 0.02 -0.17 0.23 -0.94 0.02 0.00 0.00 176.35 175.50 3fjf s SER 47 N -2.97 -0.02 0.24 2.29 1.04 -0.91 -4.80 113.70 108.57 3fjf s SER 47 Ca 0.45 -0.30 0.02 0.00 0.48 0.00 0.00 55.95 56.59 3fjf s SER 47 Cb -0.11 0.31 -0.04 0.00 0.10 0.00 0.00 66.02 66.28 3fjf s SER 47 CO 0.28 -0.57 0.40 0.00 0.98 0.00 0.00 173.24 174.33 3fjf s ALA 48 N -2.52 3.85 0.00 5.32 0.00 -1.26 -0.78 121.76 126.38 3fjf s ALA 48 Ca -0.05 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 50.91 3fjf s ALA 48 Cb -0.01 -1.91 0.00 0.00 0.00 0.00 0.00 23.12 21.20 3fjf s ALA 48 CO -0.03 0.29 0.00 -1.91 0.00 0.00 0.00 175.76 174.11 3fjf n GLU 49 N -1.12 0.00 -1.99 0.00 4.07 -0.95 -4.89 120.64 115.76 3fjf n GLU 49 Ca -0.06 0.00 -0.28 0.00 -0.06 0.00 0.00 57.16 56.75 3fjf n GLU 49 Cb 0.55 0.00 0.09 0.00 -0.06 0.00 0.00 31.44 32.02 3fjf n GLU 49 CO 0.00 0.00 0.00 -1.12 -0.06 0.00 0.00 177.13 175.95 3fjf s SER 50 N 0.40 4.49 0.17 4.31 0.01 -1.26 -4.89 113.70 116.93 3fjf s SER 50 Ca 0.00 0.65 -0.33 0.00 1.31 0.00 0.00 55.95 57.57 3fjf s SER 50 Cb 0.00 -1.15 -0.14 0.00 0.21 0.00 0.00 66.02 64.95 3fjf s SER 50 CO 0.00 -1.88 1.60 0.52 0.41 0.00 0.00 173.24 173.89 3fjf n VAL 51 N -3.24 0.03 -0.92 3.43 0.31 -1.26 -1.15 118.33 115.54 3fjf n VAL 51 Ca 0.09 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 3fjf n VAL 51 Cb 0.61 -1.61 0.00 0.00 -0.91 0.00 0.00 33.84 31.93 3fjf n VAL 51 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3fjf n GLY 52 N 3.46 0.95 3.64 2.92 0.00 -1.26 -5.03 105.19 109.87 3fjf n GLY 52 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 3fjf n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fjf s GLU 53 N -0.08 2.89 0.06 1.61 2.02 -0.30 -1.19 118.70 123.71 3fjf s GLU 53 Ca 0.00 -0.46 0.00 0.00 0.02 0.00 0.00 54.97 54.53 3fjf s GLU 53 Cb 0.00 -2.71 -0.04 0.00 0.10 0.00 0.00 34.13 31.48 3fjf s GLU 53 CO 0.00 0.69 -0.05 0.14 0.02 0.00 0.00 175.26 176.06 3fjf s VAL 54 N -0.86 0.41 0.06 2.63 -7.23 0.39 -2.24 120.40 113.55 3fjf s VAL 54 Ca 0.13 -1.66 0.04 0.00 -1.81 0.00 0.00 61.98 58.69 3fjf s VAL 54 Cb -0.11 -1.31 -0.04 0.00 0.56 0.00 0.00 36.38 35.48 3fjf s VAL 54 CO 0.02 -0.82 -0.04 -0.31 -0.31 0.00 0.00 175.10 173.64 3fjf s TYR 55 N -3.21 2.92 -0.23 2.82 2.02 0.04 -1.17 117.35 120.53 3fjf s TYR 55 Ca 0.04 -0.04 0.01 0.00 -0.37 0.00 0.00 57.07 56.70 3fjf s TYR 55 Cb 0.03 -1.55 0.06 0.00 -0.40 0.00 0.00 41.96 40.09 3fjf s TYR 55 CO -0.06 0.44 -0.06 0.42 -1.57 0.00 0.00 175.55 174.71 3fjf s ILE 56 N -1.18 1.62 -0.09 2.71 1.01 -1.26 -2.13 121.20 121.88 3fjf s ILE 56 Ca 0.22 -1.26 0.03 0.00 0.00 0.00 0.00 60.65 59.64 3fjf s ILE 56 Cb -0.11 -1.85 -0.01 0.00 0.01 0.00 0.00 42.46 40.49 3fjf s ILE 56 CO 0.13 -0.07 -0.19 -0.75 0.00 0.00 0.00 174.94 174.07 3fjf s LYS 57 N 1.36 2.93 -0.08 2.79 2.20 -0.44 -0.74 119.74 127.75 3fjf s LYS 57 Ca -0.06 -0.78 -0.30 0.00 -0.36 0.00 0.00 55.97 54.47 3fjf s LYS 57 Cb -0.19 -2.39 -0.05 0.00 -1.51 0.00 0.00 37.83 33.69 3fjf s LYS 57 CO -0.06 0.33 1.57 0.45 -0.36 0.00 0.00 175.35 177.28 3fjf s SER 58 N 0.00 6.72 0.38 1.43 0.15 -0.24 0.37 113.70 122.51 3fjf s SER 58 Ca -0.06 2.12 0.18 0.00 0.70 0.00 0.00 55.95 58.89 3fjf s SER 58 Cb -0.15 -2.53 0.72 0.00 -1.71 0.00 0.00 66.02 62.34 3fjf s SER 58 CO 0.05 -0.89 1.76 0.71 1.20 0.00 0.00 173.24 176.07 3fjf h THR 59 N 5.56 0.97 0.12 6.45 1.35 -1.70 0.10 112.91 125.76 3fjf h THR 59 Ca -0.37 -1.47 -0.29 0.00 -0.55 0.00 0.00 66.41 63.73 3fjf h THR 59 Cb 1.16 1.87 0.02 0.00 -1.73 0.00 0.00 68.15 69.48 3fjf h THR 59 CO 0.96 0.37 -1.24 -0.08 -0.25 0.00 0.00 175.52 175.28 3fjf h GLU 60 N 0.00 0.55 0.00 4.72 4.57 -1.81 -3.39 114.58 119.22 3fjf h GLU 60 Ca -0.00 -0.75 -0.07 0.00 -1.18 0.00 0.00 59.36 57.36 3fjf h GLU 60 Cb 0.84 0.25 -0.01 0.00 -0.16 0.00 0.00 28.75 29.67 3fjf h GLU 60 CO 0.05 1.33 -1.48 0.25 -1.18 0.00 0.00 179.01 177.98 3fjf n THR 61 N -3.74 0.25 -0.56 0.32 -2.24 -1.23 -5.01 114.28 102.06 3fjf n THR 61 Ca -0.12 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 3fjf n THR 61 Cb 0.99 -0.17 0.00 0.00 -2.10 0.00 0.00 70.33 69.04 3fjf n THR 61 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fjf n GLY 62 N 2.21 0.78 3.83 3.38 0.00 0.36 -5.03 105.19 110.71 3fjf n GLY 62 Ca -0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 3fjf n GLY 62 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3fjf s GLN 63 N -0.44 3.41 -0.04 1.61 -0.21 -1.26 -4.74 119.66 118.00 3fjf s GLN 63 Ca 0.00 0.99 0.00 0.00 0.02 0.00 0.00 55.36 56.37 3fjf s GLN 63 Cb 0.00 -2.05 -0.03 0.00 1.00 0.00 0.00 33.01 31.92 3fjf s GLN 63 CO 0.00 -0.72 -0.01 0.71 -2.12 0.00 0.00 175.29 173.15 3fjf s TYR 64 N -2.80 3.08 0.36 0.91 1.51 0.79 -1.08 117.35 120.13 3fjf s TYR 64 Ca 0.59 0.11 -0.28 0.00 -1.01 0.00 0.00 57.07 56.49 3fjf s TYR 64 Cb -0.13 -1.71 -0.10 0.00 -0.11 0.00 0.00 41.96 39.91 3fjf s TYR 64 CO 0.44 0.45 1.28 -1.17 -1.11 0.00 0.00 175.55 175.43 3fjf s LEU 65 N -1.23 4.35 0.05 -1.29 2.96 0.08 0.29 118.68 123.89 3fjf s LEU 65 Ca 0.16 2.62 -0.11 0.00 -0.22 0.00 0.00 54.13 56.58 3fjf s LEU 65 Cb -0.11 -3.76 0.01 0.00 0.50 0.00 0.00 46.19 42.82 3fjf s LEU 65 CO 0.06 -0.62 0.23 0.00 -1.32 0.00 0.00 176.35 174.70 3fjf s ALA 66 N -1.21 -0.44 -0.11 5.97 0.00 -0.25 -4.35 121.76 121.37 3fjf s ALA 66 Ca 0.52 -0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.22 3fjf s ALA 66 Cb -0.38 0.34 0.02 0.00 0.00 0.00 0.00 23.12 23.11 3fjf s ALA 66 CO 0.49 -0.41 -0.10 1.41 0.00 0.00 0.00 175.76 177.15 3fjf s MET 67 N -2.86 1.72 0.97 0.00 1.75 -0.71 -1.00 119.30 119.17 3fjf s MET 67 Ca -0.03 -0.34 -0.16 0.00 -1.25 0.00 0.00 55.69 53.91 3fjf s MET 67 Cb 0.00 -1.67 0.22 0.00 2.84 0.00 0.00 34.83 36.22 3fjf s MET 67 CO -0.05 -0.21 1.33 0.16 -0.65 0.00 0.00 175.02 175.59 3fjf s ASP 68 N 1.49 2.96 0.23 1.11 1.47 -0.35 -4.82 116.67 118.76 3fjf s ASP 68 Ca 0.02 0.13 0.18 0.00 1.18 0.00 0.00 52.55 54.06 3fjf s ASP 68 Cb -0.13 -0.11 0.89 0.00 -0.34 0.00 0.00 42.92 43.23 3fjf s ASP 68 CO -0.07 -2.82 1.56 0.35 0.68 0.00 0.00 175.17 174.88 3fjf n THR 69 N -3.78 1.11 0.46 2.11 -2.24 -1.26 -0.25 114.28 110.43 3fjf n THR 69 Ca 0.17 0.50 0.11 0.00 -2.27 0.00 0.00 64.05 62.56 3fjf n THR 69 Cb 0.59 -1.46 0.25 0.00 -2.10 0.00 0.00 70.33 67.62 3fjf n THR 69 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3fjf n ASP 70 N -2.08 3.09 -0.04 3.42 8.00 -1.26 -4.95 116.55 122.74 3fjf n ASP 70 Ca 0.00 -1.94 -0.00 0.00 0.71 0.00 0.00 54.79 53.56 3fjf n ASP 70 Cb 0.10 -0.24 -0.00 0.00 -0.02 0.00 0.00 41.12 40.96 3fjf n ASP 70 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fjf n GLY 71 N 1.43 0.44 3.87 0.44 0.00 0.66 -4.58 105.19 107.45 3fjf n GLY 71 Ca 0.19 -0.81 -0.37 0.00 0.00 0.00 0.00 46.02 45.03 3fjf n GLY 71 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fjf s LEU 72 N -0.11 4.41 0.37 0.99 2.01 -1.26 0.23 118.68 125.33 3fjf s LEU 72 Ca 0.00 0.62 -0.20 0.00 0.01 0.00 0.00 54.13 54.57 3fjf s LEU 72 Cb 0.00 -2.31 -0.10 0.00 0.01 0.00 0.00 46.19 43.79 3fjf s LEU 72 CO 0.00 0.36 0.86 -0.76 1.01 0.00 0.00 176.35 177.83 3fjf s LEU 73 N -1.16 4.06 0.21 1.79 1.43 -1.26 -1.21 118.68 122.54 3fjf s LEU 73 Ca 0.19 1.56 -0.21 0.00 -1.03 0.00 0.00 54.13 54.64 3fjf s LEU 73 Cb -0.14 -4.26 0.04 0.00 0.03 0.00 0.00 46.19 41.87 3fjf s LEU 73 CO 0.09 -0.25 0.62 -0.72 0.23 0.00 0.00 176.35 176.32 3fjf s TYR 74 N -2.00 -0.30 -0.14 0.29 1.13 -0.17 -4.61 117.35 111.55 3fjf s TYR 74 Ca 0.57 -0.03 -0.19 0.00 -1.41 0.00 0.00 57.07 56.01 3fjf s TYR 74 Cb -0.11 0.56 -0.04 0.00 -1.10 0.00 0.00 41.96 41.27 3fjf s TYR 74 CO 0.16 -1.00 0.51 0.20 -2.51 0.00 0.00 175.55 172.91 3fjf s GLY 75 N -2.84 2.32 -0.04 5.49 0.00 0.23 -1.09 107.32 111.39 3fjf s GLY 75 Ca 0.07 -0.22 0.00 0.00 0.00 0.00 0.00 44.72 44.57 3fjf s GLY 75 CO -0.03 0.90 0.00 -0.45 0.00 0.00 0.00 173.10 173.52 3fjf s SER 76 N 0.79 5.17 0.44 1.64 0.15 0.14 -4.83 113.70 117.21 3fjf s SER 76 Ca 0.27 0.06 0.24 0.00 0.70 0.00 0.00 55.95 57.21 3fjf s SER 76 Cb -0.15 -1.39 0.88 0.00 -1.71 0.00 0.00 66.02 63.64 3fjf s SER 76 CO 0.11 0.32 1.81 1.56 1.20 0.00 0.00 173.24 178.23 3fjf h GLN 77 N 4.68 0.00 -6.19 5.44 1.08 -1.91 0.23 115.11 118.44 3fjf h GLN 77 Ca -0.50 0.00 -0.56 0.00 -1.45 0.00 0.00 58.65 56.14 3fjf h GLN 77 Cb 1.18 0.00 -0.21 0.00 -0.05 0.00 0.00 27.48 28.41 3fjf h GLN 77 CO 0.56 0.22 -0.82 0.95 -0.95 0.00 0.00 178.83 178.79 3fjf s THR 78 N -3.59 1.83 -1.44 -0.54 -4.23 -1.26 -4.79 115.64 101.62 3fjf s THR 78 Ca 0.01 -1.69 -0.08 0.00 -1.18 0.00 0.00 61.69 58.75 3fjf s THR 78 Cb 0.10 -1.71 0.04 0.00 1.34 0.00 0.00 72.50 72.27 3fjf s THR 78 CO 0.64 -0.12 2.56 -0.81 -0.54 0.00 0.00 174.62 176.34 3fjf n PRO 79 N 0.80 4.13 -0.89 3.99 -0.04 -1.26 -4.77 135.00 136.97 3fjf n PRO 79 Ca -0.17 -2.97 -0.08 0.00 -0.04 0.00 0.00 63.50 60.24 3fjf n PRO 79 Cb 0.55 -2.74 0.05 0.00 -0.04 0.00 0.00 33.50 31.31 3fjf n PRO 79 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 3fjf n ASN 80 N 2.75 0.21 0.18 3.54 0.23 -1.26 -4.85 115.26 116.06 3fjf n ASN 80 Ca 0.66 -1.25 0.18 0.00 -0.53 0.00 0.00 54.58 53.65 3fjf n ASN 80 Cb 0.25 -0.27 0.81 0.00 -2.08 0.00 0.00 39.78 38.50 3fjf n ASN 80 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 3fjf h GLU 81 N 0.00 0.00 -0.00 -3.83 4.11 -1.99 0.17 114.58 113.03 3fjf h GLU 81 Ca -0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.31 3fjf h GLU 81 Cb 0.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 3fjf h GLU 81 CO 0.10 0.00 -0.03 0.39 0.07 0.00 0.00 179.01 179.54 3fjf n GLU 82 N -3.62 0.61 -0.00 1.06 1.02 -1.26 -3.72 120.64 114.73 3fjf n GLU 82 Ca 0.03 -0.07 0.09 0.00 -0.02 0.00 0.00 57.16 57.19 3fjf n GLU 82 Cb 0.43 -1.50 0.08 0.00 -0.02 0.00 0.00 31.44 30.43 3fjf n GLU 82 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3fjf n THR 83 N -1.13 0.00 -3.18 2.62 -2.24 0.05 -1.73 114.28 108.66 3fjf n THR 83 Ca 0.16 -0.50 -0.39 0.00 -2.27 0.00 0.00 64.05 61.05 3fjf n THR 83 Cb 0.23 1.38 -0.05 0.00 -2.10 0.00 0.00 70.33 69.79 3fjf n THR 83 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3fjf s LEU 84 N -1.52 4.27 0.14 3.22 1.43 -1.24 -4.43 118.68 120.55 3fjf s LEU 84 Ca 0.21 0.96 0.09 0.00 -1.03 0.00 0.00 54.13 54.36 3fjf s LEU 84 Cb 0.15 -2.88 -0.04 0.00 0.03 0.00 0.00 46.19 43.45 3fjf s LEU 84 CO 0.23 -0.09 -0.20 -0.36 0.23 0.00 0.00 176.35 176.16 3fjf s PHE 85 N 0.90 1.85 -0.44 0.29 0.40 -0.32 -1.37 117.98 119.29 3fjf s PHE 85 Ca 0.31 -0.44 -0.18 0.00 -0.60 0.00 0.00 56.93 56.02 3fjf s PHE 85 Cb -0.16 -0.96 0.03 0.00 0.51 0.00 0.00 43.02 42.44 3fjf s PHE 85 CO 0.13 0.29 0.49 -0.51 0.70 0.00 0.00 175.22 176.33 3fjf s LEU 86 N -2.34 4.84 -0.25 -0.37 1.43 0.11 -0.46 118.68 121.64 3fjf s LEU 86 Ca 0.12 -0.67 -0.23 0.00 -1.03 0.00 0.00 54.13 52.32 3fjf s LEU 86 Cb -0.08 -2.45 -0.01 0.00 0.03 0.00 0.00 46.19 43.69 3fjf s LEU 86 CO 0.06 -0.65 0.77 -0.70 0.23 0.00 0.00 176.35 176.05 3fjf s GLU 87 N 2.29 4.16 0.08 1.70 2.12 -0.33 -1.88 118.70 126.83 3fjf s GLU 87 Ca 0.14 0.82 0.05 0.00 0.36 0.00 0.00 54.97 56.34 3fjf s GLU 87 Cb -0.17 -3.65 -0.03 0.00 0.26 0.00 0.00 34.13 30.54 3fjf s GLU 87 CO 0.14 -0.49 -0.14 1.03 -0.54 0.00 0.00 175.26 175.26 3fjf s ARG 88 N 2.75 0.83 0.39 4.30 1.81 -0.38 -4.70 118.95 123.94 3fjf s ARG 88 Ca 0.32 -0.99 -0.25 0.00 -1.72 0.00 0.00 55.73 53.10 3fjf s ARG 88 Cb -0.15 -0.79 -0.09 0.00 -0.45 0.00 0.00 34.95 33.46 3fjf s ARG 88 CO 0.08 0.17 1.07 -1.17 -0.68 0.00 0.00 175.30 174.76 3fjf s LEU 89 N -1.85 4.19 -0.00 2.53 2.96 0.05 -0.65 118.68 125.90 3fjf s LEU 89 Ca -0.01 2.09 -0.00 0.00 -0.22 0.00 0.00 54.13 55.99 3fjf s LEU 89 Cb -0.09 -4.11 0.00 0.00 0.50 0.00 0.00 46.19 42.49 3fjf s LEU 89 CO 0.02 -0.47 0.01 -0.70 -1.32 0.00 0.00 176.35 173.89 3fjf s GLU 90 N -2.36 0.03 -1.38 1.98 2.56 0.99 -4.82 118.70 115.70 3fjf s GLU 90 Ca 0.56 -0.01 -0.09 0.00 0.00 0.00 0.00 54.97 55.43 3fjf s GLU 90 Cb -0.24 0.01 0.06 0.00 2.00 0.00 0.00 34.13 35.96 3fjf s GLU 90 CO 0.30 -0.00 0.58 0.39 -0.56 0.00 0.00 175.26 175.97 3fjf n GLU 91 N 3.01 -4.02 -2.04 4.30 1.02 -1.26 -1.03 120.64 120.61 3fjf n GLU 91 Ca -0.13 0.59 -0.16 0.00 -0.02 0.00 0.00 57.16 57.45 3fjf n GLU 91 Cb 0.60 -5.36 -0.03 0.00 -0.02 0.00 0.00 31.44 26.62 3fjf n GLU 91 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3fjf n ASN 92 N -2.42 -4.51 0.02 1.62 4.13 -1.26 -4.61 115.26 108.24 3fjf n ASN 92 Ca -0.03 0.22 0.00 0.00 1.68 0.00 0.00 54.58 56.45 3fjf n ASN 92 Cb 0.56 -3.91 0.00 0.00 -1.54 0.00 0.00 39.78 34.89 3fjf n ASN 92 CO 0.00 0.00 0.00 1.57 0.28 0.00 0.00 177.26 179.11 3fjf n HIS 93 N -3.01 -2.24 -2.18 3.10 -0.00 -0.46 -5.16 115.22 105.28 3fjf n HIS 93 Ca -0.18 0.12 -0.26 0.00 -0.00 0.00 0.00 57.72 57.41 3fjf n HIS 93 Cb 0.59 0.76 0.08 0.00 -0.00 0.00 0.00 29.99 31.42 3fjf n HIS 93 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 3fjf s TYR 94 N -2.00 2.78 -0.09 1.57 2.02 -0.20 -4.80 117.35 116.63 3fjf s TYR 94 Ca 0.00 0.43 -0.02 0.00 -0.37 0.00 0.00 57.07 57.11 3fjf s TYR 94 Cb 0.00 -3.27 -0.03 0.00 -0.40 0.00 0.00 41.96 38.26 3fjf s TYR 94 CO 0.00 -1.53 -0.00 -0.80 -1.57 0.00 0.00 175.55 171.65 3fjf s ASN 95 N -4.55 5.19 0.19 2.29 -0.87 1.00 -0.01 114.94 118.18 3fjf s ASN 95 Ca 0.61 0.13 0.09 0.00 -1.57 0.00 0.00 52.86 52.12 3fjf s ASN 95 Cb -0.10 -1.46 -0.04 0.00 -0.02 0.00 0.00 41.25 39.62 3fjf s ASN 95 CO 0.45 0.37 -0.17 0.42 -2.57 0.00 0.00 177.10 175.60 3fjf s THR 96 N -0.85 1.87 -0.17 1.60 -4.23 0.18 -1.36 115.64 112.68 3fjf s THR 96 Ca 0.13 -2.06 -0.01 0.00 -1.18 0.00 0.00 61.69 58.57 3fjf s THR 96 Cb -0.11 -1.96 0.05 0.00 1.34 0.00 0.00 72.50 71.82 3fjf s THR 96 CO 0.02 -0.40 -0.02 -0.31 -0.54 0.00 0.00 174.62 173.37 3fjf s TYR 97 N -2.37 1.48 -0.13 3.99 2.02 -1.26 -1.25 117.35 119.83 3fjf s TYR 97 Ca 0.19 -1.00 -0.05 0.00 -0.37 0.00 0.00 57.07 55.85 3fjf s TYR 97 Cb -0.04 -1.21 -0.04 0.00 -0.40 0.00 0.00 41.96 40.27 3fjf s TYR 97 CO 0.08 -0.60 0.04 0.42 -1.57 0.00 0.00 175.55 173.92 3fjf s ILE 98 N 1.71 4.66 0.08 2.71 1.01 -0.79 -1.11 121.20 129.47 3fjf s ILE 98 Ca -0.00 -0.10 -0.32 0.00 0.00 0.00 0.00 60.65 60.23 3fjf s ILE 98 Cb -0.16 -3.03 -0.11 0.00 0.01 0.00 0.00 42.46 39.18 3fjf s ILE 98 CO -0.07 0.55 1.86 -0.24 0.00 0.00 0.00 174.94 177.04 3fjf n SER 99 N 2.69 3.93 -0.04 3.58 2.88 -0.29 0.05 113.62 126.42 3fjf n SER 99 Ca -0.18 0.97 -0.12 0.00 -1.33 0.00 0.00 58.87 58.21 3fjf n SER 99 Cb 0.53 -1.51 -0.07 0.00 -0.75 0.00 0.00 64.21 62.42 3fjf n SER 99 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 3fjf h LYS 100 N 8.93 0.20 -0.97 -1.46 3.64 -1.55 0.60 116.57 125.96 3fjf h LYS 100 Ca -0.47 -0.06 0.10 0.00 -1.27 0.00 0.00 60.65 58.94 3fjf h LYS 100 Cb 1.24 -0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 32.96 3fjf h LYS 100 CO 0.94 0.45 0.62 -0.22 -2.27 0.00 0.00 179.45 178.97 3fjf h LYS 101 N -0.06 0.97 -0.56 1.90 3.64 -1.77 -2.50 116.57 118.19 3fjf h LYS 101 Ca 0.03 -0.06 -0.27 0.00 -1.27 0.00 0.00 60.65 59.08 3fjf h LYS 101 Cb 0.35 -0.22 -0.16 0.00 -0.41 0.00 0.00 32.23 31.79 3fjf h LYS 101 CO 0.01 0.64 0.15 0.72 -2.27 0.00 0.00 179.45 178.70 3fjf n HIS 102 N -4.56 1.73 -0.35 1.91 8.25 -1.13 -4.73 115.22 116.34 3fjf n HIS 102 Ca 0.17 -1.63 0.05 0.00 -0.26 0.00 0.00 57.72 56.05 3fjf n HIS 102 Cb 0.30 -0.63 0.21 0.00 1.12 0.00 0.00 29.99 30.99 3fjf n HIS 102 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3fjf h ALA 103 N 1.11 1.40 0.00 -1.41 0.00 -0.40 0.43 119.26 120.40 3fjf h ALA 103 Ca 0.34 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.26 3fjf h ALA 103 Cb 2.04 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.62 3fjf h ALA 103 CO 0.61 0.24 0.00 1.05 0.00 0.00 0.00 179.25 181.14 3fjf h GLU 104 N 0.98 0.00 -0.02 0.00 9.09 -1.85 -1.69 114.58 121.09 3fjf h GLU 104 Ca 0.46 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.87 3fjf h GLU 104 Cb 0.39 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.49 3fjf h GLU 104 CO -0.24 0.00 -0.13 1.63 0.05 0.00 0.00 179.01 180.31 3fjf n LYS 105 N -2.60 1.49 -3.68 1.06 5.02 0.13 -4.95 118.16 114.62 3fjf n LYS 105 Ca 0.00 -1.00 -0.24 0.00 -2.02 0.00 0.00 58.31 55.05 3fjf n LYS 105 Cb 0.19 -1.48 0.06 0.00 -0.02 0.00 0.00 35.03 33.77 3fjf n LYS 105 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3fjf n ASN 106 N 0.12 -3.72 -4.63 4.39 4.13 -0.64 -4.96 115.26 109.95 3fjf n ASN 106 Ca 0.15 -0.69 -0.40 0.00 1.68 0.00 0.00 54.58 55.31 3fjf n ASN 106 Cb 0.41 -4.49 -0.07 0.00 -1.54 0.00 0.00 39.78 34.10 3fjf n ASN 106 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 3fjf s TRP 107 N -3.41 3.29 0.21 3.10 0.51 -1.24 -4.48 118.94 116.91 3fjf s TRP 107 Ca 0.34 0.78 0.07 0.00 -2.12 0.00 0.00 56.10 55.16 3fjf s TRP 107 Cb -0.16 -2.80 -0.04 0.00 -0.81 0.00 0.00 33.47 29.66 3fjf s TRP 107 CO 0.78 -0.30 0.10 -0.06 -0.51 0.00 0.00 176.95 176.96 3fjf s PHE 108 N 2.39 2.98 0.14 -1.98 0.40 -1.26 -1.14 117.98 119.51 3fjf s PHE 108 Ca 0.25 -0.11 -0.30 0.00 -0.60 0.00 0.00 56.93 56.17 3fjf s PHE 108 Cb -0.16 -1.39 -0.07 0.00 0.51 0.00 0.00 43.02 41.92 3fjf s PHE 108 CO 0.09 0.54 0.97 0.08 0.70 0.00 0.00 175.22 177.60 3fjf s VAL 109 N -1.96 4.35 0.05 -0.44 1.01 -0.26 -4.51 120.40 118.64 3fjf s VAL 109 Ca 0.31 2.02 -0.27 0.00 0.00 0.00 0.00 61.98 64.04 3fjf s VAL 109 Cb -0.09 -4.29 0.08 0.00 0.00 0.00 0.00 36.38 32.08 3fjf s VAL 109 CO 0.22 0.34 0.69 -0.83 0.00 0.00 0.00 175.10 175.52 3fjf s GLY 110 N -0.22 -0.56 -0.06 4.51 0.00 -1.26 -4.48 107.32 105.25 3fjf s GLY 110 Ca 0.46 0.91 0.04 0.00 0.00 0.00 0.00 44.72 46.13 3fjf s GLY 110 CO 0.31 0.48 -0.18 1.08 0.00 0.00 0.00 173.10 174.79 3fjf s LEU 111 N -2.14 1.91 0.96 0.66 1.43 -0.78 0.47 118.68 121.19 3fjf s LEU 111 Ca -0.02 -0.39 -0.14 0.00 -1.03 0.00 0.00 54.13 52.55 3fjf s LEU 111 Cb -0.01 -1.05 0.17 0.00 0.03 0.00 0.00 46.19 45.34 3fjf s LEU 111 CO -0.05 0.14 1.16 -0.54 0.23 0.00 0.00 176.35 177.29 3fjf s LYS 112 N 0.16 0.73 0.44 1.70 1.02 0.11 -4.53 119.74 119.38 3fjf s LYS 112 Ca -0.08 0.16 0.18 0.00 0.02 0.00 0.00 55.97 56.26 3fjf s LYS 112 Cb -0.13 -1.80 1.02 0.00 -0.52 0.00 0.00 37.83 36.40 3fjf s LYS 112 CO 0.03 -2.45 1.94 0.87 -0.92 0.00 0.00 175.35 174.83 3fjf h LYS 113 N -1.68 0.00 -0.01 1.68 1.57 -1.86 -2.03 116.57 114.24 3fjf h LYS 113 Ca -0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 3fjf h LYS 113 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.63 3fjf h LYS 113 CO 0.55 0.24 0.00 0.27 -0.57 0.00 0.00 179.45 179.94 3fjf n ASN 114 N -3.96 0.18 0.00 0.86 0.23 -1.26 -4.65 115.26 106.66 3fjf n ASN 114 Ca -0.02 -1.21 0.00 0.00 -0.53 0.00 0.00 54.58 52.82 3fjf n ASN 114 Cb 0.32 -0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.01 3fjf n ASN 114 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3fjf n GLY 115 N 0.94 0.99 3.85 4.83 0.00 -0.76 -5.00 105.19 110.04 3fjf n GLY 115 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 3fjf n GLY 115 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fjf s SER 116 N -2.70 6.59 0.45 1.61 1.04 -1.26 -0.64 113.70 118.78 3fjf s SER 116 Ca 0.00 1.47 -0.21 0.00 0.48 0.00 0.00 55.95 57.69 3fjf s SER 116 Cb 0.00 -2.47 -0.09 0.00 0.10 0.00 0.00 66.02 63.56 3fjf s SER 116 CO 0.00 -0.56 1.01 0.00 0.98 0.00 0.00 173.24 174.67 3fjf s LYS 118 N -3.09 3.71 -0.06 0.00 1.02 0.18 -4.73 119.74 116.77 3fjf s LYS 118 Ca 0.64 0.57 -0.15 0.00 0.02 0.00 0.00 55.97 57.06 3fjf s LYS 118 Cb -0.15 -2.25 -0.05 0.00 -0.52 0.00 0.00 37.83 34.86 3fjf s LYS 118 CO 0.19 -0.27 0.38 1.03 -0.92 0.00 0.00 175.35 175.76 3fjf s ARG 119 N -4.47 4.01 0.25 1.68 0.52 -1.26 -4.64 118.95 115.03 3fjf s ARG 119 Ca 0.53 0.32 -0.13 0.00 -0.52 0.00 0.00 55.73 55.93 3fjf s ARG 119 Cb -0.10 -3.29 0.34 0.00 0.52 0.00 0.00 34.95 32.41 3fjf s ARG 119 CO 0.41 0.54 1.51 0.41 0.02 0.00 0.00 175.30 178.18 3fjf n GLY 120 N 2.33 -1.82 0.32 -3.53 0.00 0.14 -0.13 105.19 102.50 3fjf n GLY 120 Ca -0.13 1.06 0.21 0.00 0.00 0.00 0.00 46.02 47.17 3fjf n GLY 120 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3fjf h PRO 121 N 0.00 0.00 -0.11 1.61 0.11 -1.83 -1.36 132.00 130.42 3fjf h PRO 121 Ca 0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.51 3fjf h PRO 121 Cb 0.64 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.75 3fjf h PRO 121 CO -0.98 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 177.35 3fjf n ARG 122 N -3.02 2.16 -3.99 1.05 5.12 0.82 -4.93 116.66 113.88 3fjf n ARG 122 Ca -0.02 -1.70 -0.21 0.00 -1.93 0.00 0.00 57.85 53.98 3fjf n ARG 122 Cb 0.09 -1.47 -0.03 0.00 -1.16 0.00 0.00 32.46 29.90 3fjf n ARG 122 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3fjf s THR 123 N -1.88 4.80 -0.17 0.55 -4.23 -0.51 -4.91 115.64 109.28 3fjf s THR 123 Ca 0.33 -1.16 -0.35 0.00 -1.18 0.00 0.00 61.69 59.33 3fjf s THR 123 Cb 0.21 -3.63 0.14 0.00 1.34 0.00 0.00 72.50 70.55 3fjf s THR 123 CO 0.31 -0.32 1.23 -1.38 -0.54 0.00 0.00 174.62 173.92 3fjf s HIS 124 N -2.06 -0.11 0.47 3.99 -3.43 -1.26 -4.82 115.29 108.07 3fjf s HIS 124 Ca 0.35 0.05 -0.23 0.00 -0.80 0.00 0.00 55.06 54.43 3fjf s HIS 124 Cb -0.08 0.52 -0.09 0.00 -1.43 0.00 0.00 32.58 31.50 3fjf s HIS 124 CO 0.27 -0.20 1.13 0.66 -2.00 0.00 0.00 174.74 174.60 3fjf n TYR 125 N -0.14 1.56 0.00 0.38 4.01 -1.26 -2.77 117.16 118.93 3fjf n TYR 125 Ca -0.00 0.50 0.00 0.00 -0.16 0.00 0.00 57.90 58.24 3fjf n TYR 125 Cb 0.59 -2.28 0.00 0.00 -0.31 0.00 0.00 39.34 37.34 3fjf n TYR 125 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3fjf n GLY 126 N 1.03 3.33 3.83 2.72 0.00 -1.26 -5.07 105.19 109.77 3fjf n GLY 126 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 3fjf n GLY 126 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3fjf s GLN 127 N -0.81 3.46 0.16 1.61 -0.21 -1.11 -4.97 119.66 117.78 3fjf s GLN 127 Ca 0.00 0.97 0.19 0.00 0.02 0.00 0.00 55.36 56.54 3fjf s GLN 127 Cb 0.00 -2.06 -0.04 0.00 1.00 0.00 0.00 33.01 31.91 3fjf s GLN 127 CO 0.00 -0.68 1.02 0.87 -2.12 0.00 0.00 175.29 174.38 3fjf h LYS 128 N 0.12 0.00 0.00 2.91 1.79 -1.97 -3.33 116.57 116.09 3fjf h LYS 128 Ca -0.45 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.01 3fjf h LYS 128 Cb 1.20 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.85 3fjf h LYS 128 CO 0.59 0.21 -0.04 0.00 -1.08 0.00 0.00 179.45 179.13 3fjf h ALA 129 N 1.64 1.20 -0.02 3.86 0.00 -1.94 -2.51 119.26 121.49 3fjf h ALA 129 Ca -0.08 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3fjf h ALA 129 Cb 1.34 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.13 3fjf h ALA 129 CO 0.03 0.05 -0.07 0.44 0.00 0.00 0.00 179.25 179.70 3fjf n ILE 130 N -3.42 0.00 -3.21 0.00 -5.35 -1.25 -1.87 119.36 104.26 3fjf n ILE 130 Ca -0.02 -0.32 -0.40 0.00 -0.27 0.00 0.00 62.75 61.74 3fjf n ILE 130 Cb 0.16 0.89 -0.07 0.00 -1.74 0.00 0.00 39.64 38.89 3fjf n ILE 130 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3fjf s LEU 131 N -2.10 4.13 0.10 7.28 1.43 -0.95 -4.45 118.68 124.12 3fjf s LEU 131 Ca 0.31 0.69 0.08 0.00 -1.03 0.00 0.00 54.13 54.19 3fjf s LEU 131 Cb 0.20 -2.75 -0.03 0.00 0.03 0.00 0.00 46.19 43.64 3fjf s LEU 131 CO 0.37 -0.23 -0.21 -0.36 0.23 0.00 0.00 176.35 176.14 3fjf s PHE 132 N 1.85 1.84 -0.10 0.29 0.40 -0.47 -2.78 117.98 119.01 3fjf s PHE 132 Ca 0.25 -0.41 0.02 0.00 -0.60 0.00 0.00 56.93 56.18 3fjf s PHE 132 Cb -0.16 -1.01 0.01 0.00 0.51 0.00 0.00 43.02 42.38 3fjf s PHE 132 CO 0.10 0.21 -0.15 -1.17 0.70 0.00 0.00 175.22 174.91 3fjf s LEU 133 N -1.87 1.69 0.01 -0.37 2.96 0.39 -0.00 118.68 121.49 3fjf s LEU 133 Ca 0.07 -0.41 -0.30 0.00 -0.22 0.00 0.00 54.13 53.27 3fjf s LEU 133 Cb -0.10 -1.05 -0.04 0.00 0.50 0.00 0.00 46.19 45.50 3fjf s LEU 133 CO 0.04 0.02 1.12 -2.16 -1.32 0.00 0.00 176.35 174.05 3fjf s PRO 134 N 0.96 4.45 0.12 0.98 0.04 -1.26 -1.05 135.00 139.24 3fjf s PRO 134 Ca -0.08 1.63 0.08 0.00 0.04 0.00 0.00 61.00 62.67 3fjf s PRO 134 Cb -0.15 -3.43 -0.04 0.00 0.04 0.00 0.00 34.50 30.92 3fjf s PRO 134 CO -0.01 -0.24 -0.20 -0.51 0.04 0.00 0.00 177.00 176.09 3fjf s LEU 135 N 1.32 2.34 0.60 -3.56 1.43 0.87 -4.93 118.68 116.76 3fjf s LEU 135 Ca 0.56 -0.74 -0.17 0.00 -1.03 0.00 0.00 54.13 52.74 3fjf s LEU 135 Cb -0.25 -0.87 -0.03 0.00 0.03 0.00 0.00 46.19 45.07 3fjf s LEU 135 CO 0.27 0.03 1.13 -2.16 0.23 0.00 0.00 176.35 175.85 3fjf s PRO 136 N -2.19 3.05 0.00 1.29 0.04 -1.26 0.45 135.00 136.38 3fjf s PRO 136 Ca 0.09 1.56 0.21 0.00 0.04 0.00 0.00 61.00 62.90 3fjf s PRO 136 Cb -0.09 -1.97 1.27 0.00 0.04 0.00 0.00 34.50 33.76 3fjf s PRO 136 CO 0.05 -1.08 1.65 1.33 0.04 0.00 0.00 177.00 178.99