#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 0.67 -2.62 -1.40 7.35 -1.26 -5.02 117.46 115.18 3fjf n PHE 1 Ca 0.00 -1.41 -0.43 0.00 -0.76 0.00 0.00 57.45 54.85 3fjf n PHE 1 Cb 0.00 -0.23 -0.02 0.00 0.35 0.00 0.00 39.48 39.58 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 -3.00 7.11 0.07 -2.13 0.01 -1.26 -5.03 114.94 110.71 3fjf s ASN 2 Ca 0.37 1.50 0.03 0.00 -0.71 0.00 0.00 52.86 54.06 3fjf s ASN 2 Cb 0.38 -2.55 -0.04 0.00 0.41 0.00 0.00 41.25 39.45 3fjf s ASN 2 CO -0.08 -0.61 0.03 -0.76 -1.51 0.00 0.00 177.10 174.17 3fjf s LEU 3 N 2.83 3.60 0.66 0.60 1.43 -1.26 -1.29 118.68 125.25 3fjf s LEU 3 Ca 0.48 -0.08 -0.11 0.00 -1.03 0.00 0.00 54.13 53.39 3fjf s LEU 3 Cb -0.18 -2.27 -0.01 0.00 0.03 0.00 0.00 46.19 43.76 3fjf s LEU 3 CO 0.12 0.19 1.05 -2.16 0.23 0.00 0.00 176.35 175.78 3fjf s PRO 4 N -2.20 3.24 0.00 1.29 0.04 -1.26 -4.59 135.00 131.51 3fjf s PRO 4 Ca 0.26 0.83 0.00 0.00 0.04 0.00 0.00 61.00 62.13 3fjf s PRO 4 Cb -0.12 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.39 3fjf s PRO 4 CO 0.18 -0.85 0.00 -0.35 0.04 0.00 0.00 177.00 176.02 3fjf n PRO 5 N -2.95 3.53 -1.39 0.56 -0.04 -1.26 -4.96 135.00 128.49 3fjf n PRO 5 Ca 0.07 0.00 0.18 0.00 -0.04 0.00 0.00 63.50 63.71 3fjf n PRO 5 Cb 0.54 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.94 3fjf n PRO 5 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3fjf n GLY 6 N 4.05 -2.12 0.00 0.55 0.00 -1.26 -5.03 105.19 101.39 3fjf n GLY 6 Ca 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.97 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 -4.32 0.00 -0.46 1.61 0.23 -1.26 -5.06 115.26 105.99 3fjf n ASN 7 Ca -0.01 -0.42 0.05 0.00 -0.53 0.00 0.00 54.58 53.67 3fjf n ASN 7 Cb 0.67 0.00 0.13 0.00 -2.08 0.00 0.00 39.78 38.50 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 0.38 -0.22 -2.53 4.01 -1.26 -4.73 117.16 112.82 3fjf n TYR 8 Ca 0.00 -0.61 0.06 0.00 -0.16 0.00 0.00 57.90 57.19 3fjf n TYR 8 Cb 0.00 -0.09 0.33 0.00 -0.31 0.00 0.00 39.34 39.26 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 1.27 0.79 -5.56 -0.72 1.57 -1.97 -3.44 116.57 108.50 3fjf h LYS 9 Ca 0.00 -0.05 -0.47 0.00 -1.87 0.00 0.00 60.65 58.26 3fjf h LYS 9 Cb 0.82 -0.18 -0.14 0.00 0.08 0.00 0.00 32.23 32.81 3fjf h LYS 9 CO 0.04 0.52 -0.71 0.15 -0.57 0.00 0.00 179.45 178.88 3fjf s LYS 10 N -5.73 1.44 0.77 3.15 3.01 -1.26 -5.13 119.74 115.99 3fjf s LYS 10 Ca -0.10 -1.68 -0.11 0.00 -1.01 0.00 0.00 55.97 53.07 3fjf s LYS 10 Cb 0.20 -1.15 0.06 0.00 -1.01 0.00 0.00 37.83 35.92 3fjf s LYS 10 CO 0.78 0.12 1.09 -1.25 0.51 0.00 0.00 175.35 176.60 3fjf s PRO 11 N -3.68 2.26 0.15 -1.68 0.04 -1.26 -4.71 135.00 126.12 3fjf s PRO 11 Ca 0.26 1.13 -0.05 0.00 0.04 0.00 0.00 61.00 62.38 3fjf s PRO 11 Cb 0.01 -1.90 -0.02 0.00 0.04 0.00 0.00 34.50 32.63 3fjf s PRO 11 CO 0.09 -1.63 0.19 0.15 0.04 0.00 0.00 177.00 175.84 3fjf s LYS 12 N -4.92 1.07 -0.07 4.56 -0.14 0.23 -4.05 119.74 116.43 3fjf s LYS 12 Ca 0.61 -1.31 -0.04 0.00 -1.36 0.00 0.00 55.97 53.87 3fjf s LYS 12 Cb -0.17 0.32 -0.04 0.00 -1.68 0.00 0.00 37.83 36.26 3fjf s LYS 12 CO 0.56 -0.36 0.09 -0.51 -0.76 0.00 0.00 175.35 174.37 3fjf s LEU 13 N -3.01 4.04 -0.42 3.17 1.43 0.63 -0.76 118.68 123.75 3fjf s LEU 13 Ca 0.21 0.29 -0.08 0.00 -1.03 0.00 0.00 54.13 53.52 3fjf s LEU 13 Cb 0.05 -2.09 0.09 0.00 0.03 0.00 0.00 46.19 44.27 3fjf s LEU 13 CO 0.02 0.36 0.26 -0.76 0.23 0.00 0.00 176.35 176.45 3fjf s LEU 14 N -1.22 5.21 -0.13 1.79 1.43 -1.26 -0.39 118.68 124.11 3fjf s LEU 14 Ca 0.17 -1.64 -0.21 0.00 -1.03 0.00 0.00 54.13 51.43 3fjf s LEU 14 Cb -0.12 -1.96 -0.03 0.00 0.03 0.00 0.00 46.19 44.11 3fjf s LEU 14 CO 0.07 -0.56 0.62 -0.47 0.23 0.00 0.00 176.35 176.24 3fjf s TYR 15 N 1.37 3.48 -0.35 0.29 5.04 -0.18 -1.47 117.35 125.53 3fjf s TYR 15 Ca 0.04 1.03 -0.13 0.00 -2.44 0.00 0.00 57.07 55.57 3fjf s TYR 15 Cb -0.23 -2.74 -0.01 0.00 0.35 0.00 0.00 41.96 39.33 3fjf s TYR 15 CO 0.01 0.00 0.23 0.00 -1.34 0.00 0.00 175.55 174.46 3fjf h SER 17 N 8.49 0.00 0.41 0.00 4.64 -1.83 0.14 113.55 125.40 3fjf h SER 17 Ca -0.31 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.01 3fjf h SER 17 Cb 1.15 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.22 3fjf h SER 17 CO 0.64 0.02 -0.41 -1.13 -0.87 0.00 0.00 176.83 175.08 3fjf h ASN 18 N 0.00 -1.12 -0.00 4.97 -1.24 -1.82 -3.31 115.58 113.06 3fjf h ASN 18 Ca -0.00 0.09 0.00 0.00 0.71 0.00 0.00 56.30 57.10 3fjf h ASN 18 Cb 0.18 0.37 0.00 0.00 0.73 0.00 0.00 38.32 39.61 3fjf h ASN 18 CO 0.00 -0.56 -0.12 0.61 -1.29 0.00 0.00 177.43 176.07 3fjf n GLY 19 N -1.50 -0.16 1.48 1.57 0.00 -1.21 -4.72 105.19 100.65 3fjf n GLY 19 Ca -0.11 -0.15 -0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 0.87 3.56 -0.02 0.00 0.48 -4.98 105.19 105.84 3fjf n GLY 20 Ca 0.02 -0.64 -0.28 0.00 0.00 0.00 0.00 46.02 45.13 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 -3.01 2.64 -0.07 1.61 3.76 -1.12 -4.59 115.29 114.53 3fjf s HIS 21 Ca 0.01 -0.21 -0.12 0.00 -0.15 0.00 0.00 55.06 54.59 3fjf s HIS 21 Cb -0.00 -1.32 -0.05 0.00 1.11 0.00 0.00 32.58 32.31 3fjf s HIS 21 CO 0.01 0.48 0.31 -0.06 -0.85 0.00 0.00 174.74 174.63 3fjf s PHE 22 N -1.54 3.64 0.19 1.40 0.08 0.37 -0.16 117.98 121.95 3fjf s PHE 22 Ca 0.23 0.78 -0.31 0.00 0.12 0.00 0.00 56.93 57.76 3fjf s PHE 22 Cb -0.09 -2.19 -0.09 0.00 -0.57 0.00 0.00 43.02 40.07 3fjf s PHE 22 CO 0.14 0.60 1.41 -1.17 -0.10 0.00 0.00 175.22 176.10 3fjf s LEU 23 N -0.77 4.39 -0.02 -0.37 2.96 -0.54 -1.39 118.68 122.93 3fjf s LEU 23 Ca 0.20 2.50 0.04 0.00 -0.22 0.00 0.00 54.13 56.64 3fjf s LEU 23 Cb -0.15 -3.61 -0.00 0.00 0.50 0.00 0.00 46.19 42.94 3fjf s LEU 23 CO 0.09 -0.66 -0.13 -0.60 -1.32 0.00 0.00 176.35 173.72 3fjf s ARG 24 N 0.33 1.25 -0.31 1.98 3.52 0.11 -4.49 118.95 121.34 3fjf s ARG 24 Ca 0.62 -0.46 0.01 0.00 -0.13 0.00 0.00 55.73 55.77 3fjf s ARG 24 Cb -0.39 -1.15 0.07 0.00 -1.56 0.00 0.00 34.95 31.92 3fjf s ARG 24 CO 0.37 0.22 -0.00 0.42 -0.81 0.00 0.00 175.30 175.49 3fjf s ILE 25 N -0.05 2.56 0.55 4.11 1.01 -0.89 -1.46 121.20 127.04 3fjf s ILE 25 Ca -0.00 -1.79 -0.17 0.00 0.00 0.00 0.00 60.65 58.68 3fjf s ILE 25 Cb -0.08 -2.62 -0.06 0.00 0.01 0.00 0.00 42.46 39.71 3fjf s ILE 25 CO 0.01 -0.27 1.05 -0.76 0.00 0.00 0.00 174.94 174.96 3fjf s LEU 26 N 1.10 3.63 0.39 2.97 1.43 0.20 -4.83 118.68 123.58 3fjf s LEU 26 Ca -0.01 1.84 0.17 0.00 -1.03 0.00 0.00 54.13 55.11 3fjf s LEU 26 Cb -0.20 -4.54 1.08 0.00 0.03 0.00 0.00 46.19 42.55 3fjf s LEU 26 CO -0.05 -0.99 1.77 -0.65 0.23 0.00 0.00 176.35 176.67 3fjf h PRO 27 N 0.88 0.41 -0.07 1.29 0.11 -1.98 0.17 132.00 132.80 3fjf h PRO 27 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3fjf h PRO 27 Cb 1.22 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3fjf h PRO 27 CO 0.58 0.27 0.00 -0.40 -0.21 0.00 0.00 178.00 178.24 3fjf n ASP 28 N -4.64 0.11 0.00 -2.05 5.75 -1.26 -4.83 116.55 109.63 3fjf n ASP 28 Ca 0.25 -2.00 0.00 0.00 -0.01 0.00 0.00 54.79 53.03 3fjf n ASP 28 Cb 0.85 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.90 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 0.48 1.21 3.77 6.12 0.00 0.60 -4.97 105.19 112.40 3fjf n GLY 29 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 3fjf n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fjf s THR 30 N -2.79 2.79 -0.08 2.61 2.01 -1.25 -1.26 115.64 117.68 3fjf s THR 30 Ca 0.00 0.62 0.03 0.00 0.31 0.00 0.00 61.69 62.65 3fjf s THR 30 Cb 0.00 -3.33 0.01 0.00 0.01 0.00 0.00 72.50 69.19 3fjf s THR 30 CO 0.00 0.02 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.10 3fjf s VAL 31 N -1.43 1.45 0.00 3.82 1.01 -1.26 -0.63 120.40 123.37 3fjf s VAL 31 Ca 0.64 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.96 3fjf s VAL 31 Cb -0.33 -1.30 0.00 0.00 0.00 0.00 0.00 36.38 34.75 3fjf s VAL 31 CO 0.40 0.43 0.00 -0.90 0.00 0.00 0.00 175.10 175.03 3fjf n ASP 32 N 3.76 0.00 -4.24 3.32 5.75 -0.53 -4.53 116.55 120.07 3fjf n ASP 32 Ca -0.21 -0.03 -0.19 0.00 -0.01 0.00 0.00 54.79 54.34 3fjf n ASP 32 Cb 0.52 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 -0.03 1.09 0.00 6.12 0.00 0.54 0.08 107.32 115.12 3fjf s GLY 33 Ca 0.00 -1.25 -0.07 0.00 0.00 0.00 0.00 44.72 43.40 3fjf s GLY 33 CO 0.00 -1.29 0.14 -1.08 0.00 0.00 0.00 173.10 170.87 3fjf s THR 34 N -1.83 0.08 -2.53 0.90 -1.32 -0.49 -4.82 115.64 105.64 3fjf s THR 34 Ca 0.07 -0.67 0.24 0.00 -1.21 0.00 0.00 61.69 60.13 3fjf s THR 34 Cb -0.07 -0.43 0.43 0.00 -1.51 0.00 0.00 72.50 70.92 3fjf s THR 34 CO 0.03 -0.37 1.53 0.54 -2.21 0.00 0.00 174.62 174.15 3fjf n ARG 35 N 1.49 1.96 -2.74 7.08 1.74 -1.26 -0.48 116.66 124.44 3fjf n ARG 35 Ca -0.22 -1.42 -0.42 0.00 -0.77 0.00 0.00 57.85 55.01 3fjf n ARG 35 Cb 0.56 -1.46 -0.04 0.00 -1.02 0.00 0.00 32.46 30.51 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 -1.78 6.17 0.61 0.55 2.15 -1.26 -4.88 116.67 118.23 3fjf s ASP 36 Ca 0.34 -0.77 0.41 0.00 0.43 0.00 0.00 52.55 52.96 3fjf s ASP 36 Cb 0.20 -2.47 2.19 0.00 -0.30 0.00 0.00 42.92 42.54 3fjf s ASP 36 CO 0.30 -1.58 2.25 0.03 -0.17 0.00 0.00 175.17 176.00 3fjf h ARG 37 N 9.73 0.00 0.00 4.34 3.08 -2.01 -0.57 114.38 128.95 3fjf h ARG 37 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.77 3fjf h ARG 37 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.11 3fjf h ARG 37 CO 1.22 0.00 -0.14 -1.13 -1.07 0.00 0.00 179.97 178.84 3fjf n SER 38 N -2.96 0.35 -4.65 7.04 3.41 -1.26 -4.90 113.62 110.64 3fjf n SER 38 Ca -0.02 0.36 -0.47 0.00 -0.26 0.00 0.00 58.87 58.48 3fjf n SER 38 Cb 0.08 -0.39 -0.04 0.00 -0.26 0.00 0.00 64.21 63.61 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 -1.75 2.73 -0.10 4.04 -0.08 -0.22 -4.88 116.55 116.29 3fjf n ASP 39 Ca 0.06 1.11 0.15 0.00 -1.51 0.00 0.00 54.79 54.60 3fjf n ASP 39 Cb 0.37 -1.39 0.81 0.00 2.34 0.00 0.00 41.12 43.26 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 2.84 1.02 -0.40 -0.67 1.13 -1.26 -3.70 117.38 116.33 3fjf n GLN 40 Ca 0.16 -0.20 0.08 0.00 -1.94 0.00 0.00 57.00 55.09 3fjf n GLN 40 Cb 0.28 -1.50 0.24 0.00 0.11 0.00 0.00 30.24 29.38 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 -0.81 0.91 0.68 1.08 8.25 -1.26 -4.39 115.22 119.68 3fjf n HIS 41 Ca 0.21 -0.73 0.07 0.00 -0.26 0.00 0.00 57.72 57.01 3fjf n HIS 41 Cb 0.19 -0.23 -0.01 0.00 1.12 0.00 0.00 29.99 31.05 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 -0.01 0.00 -2.57 1.59 -5.35 -1.24 -2.10 119.36 109.68 3fjf n ILE 42 Ca 0.19 -0.32 -0.43 0.00 -0.27 0.00 0.00 62.75 61.92 3fjf n ILE 42 Cb 0.77 1.16 -0.02 0.00 -1.74 0.00 0.00 39.64 39.81 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 -1.90 4.10 0.05 6.28 1.11 -1.26 -4.48 119.66 123.56 3fjf s GLN 43 Ca 0.12 1.25 0.09 0.00 0.01 0.00 0.00 55.36 56.83 3fjf s GLN 43 Cb 0.12 -3.75 -0.03 0.00 -1.01 0.00 0.00 33.01 28.34 3fjf s GLN 43 CO 0.41 -0.87 -0.26 -0.51 0.01 0.00 0.00 175.29 174.08 3fjf s LEU 44 N 3.69 2.18 -0.19 2.90 1.43 0.06 -1.60 118.68 127.15 3fjf s LEU 44 Ca 0.49 -0.60 -0.01 0.00 -1.03 0.00 0.00 54.13 52.97 3fjf s LEU 44 Cb -0.15 -1.25 0.00 0.00 0.03 0.00 0.00 46.19 44.82 3fjf s LEU 44 CO 0.15 0.24 -0.12 -1.58 0.23 0.00 0.00 176.35 175.27 3fjf s GLN 45 N -1.33 3.23 0.04 1.70 2.00 0.90 0.78 119.66 126.98 3fjf s GLN 45 Ca 0.12 -0.71 -0.01 0.00 -2.00 0.00 0.00 55.36 52.76 3fjf s GLN 45 Cb -0.10 -2.78 -0.04 0.00 0.80 0.00 0.00 33.01 30.89 3fjf s GLN 45 CO 0.02 -0.13 0.18 -0.51 -0.50 0.00 0.00 175.29 174.35 3fjf s LEU 46 N 1.22 4.28 -0.00 3.68 1.02 -1.26 -0.98 118.68 126.64 3fjf s LEU 46 Ca 0.02 0.26 -0.07 0.00 0.02 0.00 0.00 54.13 54.36 3fjf s LEU 46 Cb -0.14 -2.76 0.00 0.00 0.02 0.00 0.00 46.19 43.31 3fjf s LEU 46 CO -0.05 0.21 0.13 -0.94 0.02 0.00 0.00 176.35 175.72 3fjf s SER 47 N -2.27 0.02 -0.15 2.29 1.04 -0.90 -4.75 113.70 108.99 3fjf s SER 47 Ca 0.31 -0.18 -0.09 0.00 0.48 0.00 0.00 55.95 56.47 3fjf s SER 47 Cb -0.13 0.21 -0.05 0.00 0.10 0.00 0.00 66.02 66.16 3fjf s SER 47 CO 0.24 -0.35 0.17 0.00 0.98 0.00 0.00 173.24 174.27 3fjf s ALA 48 N -1.30 3.77 0.00 5.32 0.00 -1.26 -1.13 121.76 127.17 3fjf s ALA 48 Ca -0.14 -0.61 0.00 0.00 0.00 0.00 0.00 51.96 51.21 3fjf s ALA 48 Cb -0.07 -2.11 0.00 0.00 0.00 0.00 0.00 23.12 20.94 3fjf s ALA 48 CO 0.01 0.39 0.00 -1.91 0.00 0.00 0.00 175.76 174.25 3fjf n GLU 49 N 2.69 0.00 -4.18 0.00 4.07 -0.55 -4.98 120.64 117.70 3fjf n GLU 49 Ca -0.17 0.20 -0.25 0.00 -0.06 0.00 0.00 57.16 56.88 3fjf n GLU 49 Cb 0.53 -0.67 -0.08 0.00 -0.06 0.00 0.00 31.44 31.17 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 -3.28 4.40 0.15 4.31 0.01 -1.26 -4.99 113.70 113.05 3fjf s SER 50 Ca 0.00 -1.03 -0.33 0.00 1.31 0.00 0.00 55.95 55.90 3fjf s SER 50 Cb 0.00 -0.52 -0.13 0.00 0.21 0.00 0.00 66.02 65.58 3fjf s SER 50 CO 0.00 -0.45 1.64 0.52 0.41 0.00 0.00 173.24 175.36 3fjf n VAL 51 N -1.16 0.05 -0.73 3.43 0.31 -1.26 -0.81 118.33 118.16 3fjf n VAL 51 Ca -0.02 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 3fjf n VAL 51 Cb 0.64 -1.67 0.00 0.00 -0.91 0.00 0.00 33.84 31.90 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 3.62 1.40 3.58 2.92 0.00 -1.26 -5.02 105.19 110.43 3fjf n GLY 52 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.05 3.15 0.08 1.61 2.02 0.01 -1.26 118.70 124.26 3fjf s GLU 53 Ca 0.00 -0.50 -0.00 0.00 0.02 0.00 0.00 54.97 54.49 3fjf s GLU 53 Cb 0.00 -2.77 -0.04 0.00 0.10 0.00 0.00 34.13 31.42 3fjf s GLU 53 CO 0.00 0.52 -0.02 0.14 0.02 0.00 0.00 175.26 175.92 3fjf s VAL 54 N -0.40 0.34 0.08 2.63 -7.23 0.52 -1.48 120.40 114.86 3fjf s VAL 54 Ca 0.07 -1.86 0.06 0.00 -1.81 0.00 0.00 61.98 58.43 3fjf s VAL 54 Cb -0.12 -1.67 -0.04 0.00 0.56 0.00 0.00 36.38 35.11 3fjf s VAL 54 CO 0.02 -0.87 -0.06 -0.31 -0.31 0.00 0.00 175.10 173.57 3fjf s TYR 55 N -3.85 2.84 -0.24 2.82 2.02 -0.28 -0.99 117.35 119.67 3fjf s TYR 55 Ca 0.11 -0.10 0.00 0.00 -0.37 0.00 0.00 57.07 56.72 3fjf s TYR 55 Cb 0.07 -1.50 0.06 0.00 -0.40 0.00 0.00 41.96 40.20 3fjf s TYR 55 CO -0.06 0.43 -0.03 0.42 -1.57 0.00 0.00 175.55 174.74 3fjf s ILE 56 N -1.21 1.37 -0.02 2.71 1.01 -1.26 -2.11 121.20 121.69 3fjf s ILE 56 Ca 0.22 -1.17 0.05 0.00 0.00 0.00 0.00 60.65 59.75 3fjf s ILE 56 Cb -0.11 -1.71 -0.03 0.00 0.01 0.00 0.00 42.46 40.62 3fjf s ILE 56 CO 0.14 -0.16 -0.17 -0.54 0.00 0.00 0.00 174.94 174.20 3fjf s LYS 57 N 1.46 2.32 -0.03 2.79 1.02 -0.15 -0.33 119.74 126.82 3fjf s LYS 57 Ca -0.04 -0.81 -0.30 0.00 0.02 0.00 0.00 55.97 54.84 3fjf s LYS 57 Cb -0.19 -2.27 -0.05 0.00 -0.52 0.00 0.00 37.83 34.81 3fjf s LYS 57 CO -0.07 0.59 1.42 0.45 -0.92 0.00 0.00 175.35 176.82 3fjf s SER 58 N -0.88 6.84 0.30 2.83 0.15 0.32 -0.07 113.70 123.19 3fjf s SER 58 Ca 0.12 2.08 0.14 0.00 0.70 0.00 0.00 55.95 58.99 3fjf s SER 58 Cb -0.10 -2.55 0.40 0.00 -1.71 0.00 0.00 66.02 62.05 3fjf s SER 58 CO 0.01 -0.75 1.61 0.71 1.20 0.00 0.00 173.24 176.02 3fjf h THR 59 N 5.08 1.19 -0.01 6.45 1.35 -1.64 -0.28 112.91 125.06 3fjf h THR 59 Ca -0.37 -2.02 -0.19 0.00 -0.55 0.00 0.00 66.41 63.28 3fjf h THR 59 Cb 1.17 2.16 0.01 0.00 -1.73 0.00 0.00 68.15 69.76 3fjf h THR 59 CO 0.92 0.54 -0.72 -0.08 -0.25 0.00 0.00 175.52 175.92 3fjf h GLU 60 N 0.00 0.50 0.00 4.72 4.57 -1.80 -3.38 114.58 119.19 3fjf h GLU 60 Ca -0.01 -0.53 0.00 0.00 -1.18 0.00 0.00 59.36 57.64 3fjf h GLU 60 Cb 1.11 0.15 0.00 0.00 -0.16 0.00 0.00 28.75 29.85 3fjf h GLU 60 CO 0.07 1.17 -0.67 0.25 -1.18 0.00 0.00 179.01 178.65 3fjf n THR 61 N -4.11 0.00 -0.46 0.32 -2.24 -1.24 -5.01 114.28 101.54 3fjf n THR 61 Ca -0.10 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 3fjf n THR 61 Cb 0.73 0.88 0.00 0.00 -2.10 0.00 0.00 70.33 69.84 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 1.35 1.65 3.79 3.38 0.00 -0.12 -5.02 105.19 110.23 3fjf n GLY 62 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.16 3.44 -0.12 1.61 -0.21 -1.26 -4.71 119.66 118.26 3fjf s GLN 63 Ca 0.00 1.32 -0.05 0.00 0.02 0.00 0.00 55.36 56.65 3fjf s GLN 63 Cb 0.00 -2.04 -0.04 0.00 1.00 0.00 0.00 33.01 31.93 3fjf s GLN 63 CO 0.00 -0.72 0.08 0.71 -2.12 0.00 0.00 175.29 173.23 3fjf s TYR 64 N -2.20 3.38 0.39 0.91 1.51 0.43 -0.52 117.35 121.25 3fjf s TYR 64 Ca 0.66 0.33 -0.27 0.00 -1.01 0.00 0.00 57.07 56.78 3fjf s TYR 64 Cb -0.17 -1.92 -0.09 0.00 -0.11 0.00 0.00 41.96 39.67 3fjf s TYR 64 CO 0.30 0.53 1.31 -1.17 -1.11 0.00 0.00 175.55 175.41 3fjf s LEU 65 N -0.70 4.27 0.05 -1.29 2.96 0.54 -0.09 118.68 124.42 3fjf s LEU 65 Ca 0.12 2.67 -0.13 0.00 -0.22 0.00 0.00 54.13 56.57 3fjf s LEU 65 Cb -0.12 -3.84 0.02 0.00 0.50 0.00 0.00 46.19 42.75 3fjf s LEU 65 CO 0.03 -0.77 0.29 0.00 -1.32 0.00 0.00 176.35 174.57 3fjf s ALA 66 N -1.23 -0.62 -0.13 5.97 0.00 0.06 -4.35 121.76 121.45 3fjf s ALA 66 Ca 0.55 -0.07 0.02 0.00 0.00 0.00 0.00 51.96 52.46 3fjf s ALA 66 Cb -0.38 0.34 0.01 0.00 0.00 0.00 0.00 23.12 23.08 3fjf s ALA 66 CO 0.50 -0.42 -0.21 1.41 0.00 0.00 0.00 175.76 177.04 3fjf s MET 67 N -2.67 2.89 0.89 0.00 1.75 -0.84 -0.26 119.30 121.07 3fjf s MET 67 Ca -0.04 -0.81 -0.12 0.00 -1.25 0.00 0.00 55.69 53.47 3fjf s MET 67 Cb -0.00 -2.34 0.20 0.00 2.84 0.00 0.00 34.83 35.52 3fjf s MET 67 CO -0.04 -0.01 1.21 -0.40 -0.65 0.00 0.00 175.02 175.13 3fjf n ASP 68 N 4.06 0.44 0.30 1.11 5.68 0.21 -4.78 116.55 123.56 3fjf n ASP 68 Ca -0.20 -1.65 0.19 0.00 -0.50 0.00 0.00 54.79 52.63 3fjf n ASP 68 Cb 0.52 -0.89 0.97 0.00 -1.14 0.00 0.00 41.12 40.57 3fjf n ASP 68 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3fjf h THR 69 N -1.43 0.15 -0.44 2.12 1.03 -2.01 -0.53 112.91 111.80 3fjf h THR 69 Ca -0.39 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.01 3fjf h THR 69 Cb 1.16 0.84 0.00 0.00 -1.07 0.00 0.00 68.15 69.08 3fjf h THR 69 CO 0.31 0.00 0.00 0.47 -0.01 0.00 0.00 175.52 176.29 3fjf n ASP 70 N -3.24 3.92 0.00 0.00 8.00 -1.26 -4.96 116.55 119.01 3fjf n ASP 70 Ca -0.01 -2.47 0.00 0.00 0.71 0.00 0.00 54.79 53.02 3fjf n ASP 70 Cb 0.25 -0.46 0.00 0.00 -0.02 0.00 0.00 41.12 40.89 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 0.46 0.49 3.77 0.44 0.00 -0.21 -4.58 105.19 105.56 3fjf n GLY 71 Ca 0.20 -0.26 -0.38 0.00 0.00 0.00 0.00 46.02 45.58 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 0.00 4.40 0.34 0.99 1.43 -1.26 0.17 118.68 124.74 3fjf s LEU 72 Ca 0.00 1.02 -0.25 0.00 -1.03 0.00 0.00 54.13 53.86 3fjf s LEU 72 Cb 0.00 -2.77 -0.10 0.00 0.03 0.00 0.00 46.19 43.35 3fjf s LEU 72 CO 0.00 0.14 0.95 -0.76 0.23 0.00 0.00 176.35 176.90 3fjf s LEU 73 N -0.22 4.29 0.17 1.79 1.43 -1.26 -0.62 118.68 124.26 3fjf s LEU 73 Ca 0.28 1.83 -0.16 0.00 -1.03 0.00 0.00 54.13 55.04 3fjf s LEU 73 Cb -0.17 -4.08 0.02 0.00 0.03 0.00 0.00 46.19 41.99 3fjf s LEU 73 CO 0.14 -0.11 0.45 -0.72 0.23 0.00 0.00 176.35 176.34 3fjf s TYR 74 N -1.69 -0.07 -0.26 0.29 1.13 0.64 -4.48 117.35 112.91 3fjf s TYR 74 Ca 0.52 -0.27 -0.17 0.00 -1.41 0.00 0.00 57.07 55.74 3fjf s TYR 74 Cb -0.18 0.29 -0.03 0.00 -1.10 0.00 0.00 41.96 40.94 3fjf s TYR 74 CO 0.23 -0.83 0.48 0.20 -2.51 0.00 0.00 175.55 173.12 3fjf s GLY 75 N -2.87 1.86 -0.11 5.49 0.00 -0.39 -0.76 107.32 110.55 3fjf s GLY 75 Ca 0.08 -0.66 -0.06 0.00 0.00 0.00 0.00 44.72 44.09 3fjf s GLY 75 CO -0.05 1.17 0.11 -0.45 0.00 0.00 0.00 173.10 173.87 3fjf s SER 76 N 1.57 6.10 0.48 1.64 0.15 0.87 -4.75 113.70 119.75 3fjf s SER 76 Ca 0.19 0.39 0.27 0.00 0.70 0.00 0.00 55.95 57.50 3fjf s SER 76 Cb -0.16 -1.92 0.84 0.00 -1.71 0.00 0.00 66.02 63.07 3fjf s SER 76 CO 0.09 0.40 1.79 1.56 1.20 0.00 0.00 173.24 178.28 3fjf h GLN 77 N 4.99 0.00 -4.72 5.44 1.08 -1.92 0.12 115.11 120.10 3fjf h GLN 77 Ca -0.54 0.00 -0.25 0.00 -1.45 0.00 0.00 58.65 56.41 3fjf h GLN 77 Cb 1.22 0.00 -0.16 0.00 -0.05 0.00 0.00 27.48 28.49 3fjf h GLN 77 CO 0.57 0.07 -0.71 0.95 -0.95 0.00 0.00 178.83 178.76 3fjf s THR 78 N -3.45 0.75 -0.30 -0.54 -4.23 -1.26 -4.81 115.64 101.80 3fjf s THR 78 Ca 0.03 -1.78 -0.29 0.00 -1.18 0.00 0.00 61.69 58.48 3fjf s THR 78 Cb 0.08 -1.49 0.01 0.00 1.34 0.00 0.00 72.50 72.44 3fjf s THR 78 CO 0.62 -0.75 1.11 -2.16 -0.54 0.00 0.00 174.62 172.90 3fjf s PRO 79 N -3.34 4.08 0.15 3.99 0.04 -1.26 -4.86 135.00 133.80 3fjf s PRO 79 Ca 0.08 1.16 0.01 0.00 0.04 0.00 0.00 61.00 62.29 3fjf s PRO 79 Cb 0.02 -3.74 -0.00 0.00 0.04 0.00 0.00 34.50 30.81 3fjf s PRO 79 CO -0.03 -0.88 0.04 0.27 0.04 0.00 0.00 177.00 176.44 3fjf n ASN 80 N 6.87 1.46 0.10 6.66 0.23 -1.26 -5.00 115.26 124.32 3fjf n ASN 80 Ca 0.12 -1.77 0.10 0.00 -0.53 0.00 0.00 54.58 52.50 3fjf n ASN 80 Cb 0.47 0.30 0.43 0.00 -2.08 0.00 0.00 39.78 38.89 3fjf n ASN 80 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 3fjf n GLU 81 N -0.36 0.13 0.00 -3.83 0.00 -1.26 -1.72 120.64 113.59 3fjf n GLU 81 Ca -0.04 0.44 0.14 0.00 0.00 0.00 0.00 57.16 57.70 3fjf n GLU 81 Cb 0.22 -1.78 0.56 0.00 0.00 0.00 0.00 31.44 30.44 3fjf n GLU 81 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3fjf n GLU 82 N -2.03 0.51 0.00 3.44 1.02 -1.26 -3.79 120.64 118.53 3fjf n GLU 82 Ca 0.01 -0.18 0.12 0.00 -0.02 0.00 0.00 57.16 57.10 3fjf n GLU 82 Cb 0.16 -1.50 0.19 0.00 -0.02 0.00 0.00 31.44 30.27 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 -1.09 0.00 -3.43 2.62 -2.24 -0.70 -1.98 114.28 107.46 3fjf n THR 83 Ca 0.12 -0.21 -0.38 0.00 -2.27 0.00 0.00 64.05 61.32 3fjf n THR 83 Cb 0.29 0.86 -0.06 0.00 -2.10 0.00 0.00 70.33 69.32 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 -2.46 4.34 0.10 3.22 1.43 -1.25 -4.45 118.68 119.63 3fjf s LEU 84 Ca 0.22 0.81 0.08 0.00 -1.03 0.00 0.00 54.13 54.21 3fjf s LEU 84 Cb 0.19 -2.59 -0.03 0.00 0.03 0.00 0.00 46.19 43.78 3fjf s LEU 84 CO 0.53 0.14 -0.20 -0.36 0.23 0.00 0.00 176.35 176.70 3fjf s PHE 85 N -0.04 1.69 -0.43 0.29 0.08 -0.17 -1.58 117.98 117.82 3fjf s PHE 85 Ca 0.23 -0.43 -0.20 0.00 0.12 0.00 0.00 56.93 56.65 3fjf s PHE 85 Cb -0.15 -0.92 0.02 0.00 -0.57 0.00 0.00 43.02 41.40 3fjf s PHE 85 CO 0.10 0.19 0.59 -0.51 -0.10 0.00 0.00 175.22 175.48 3fjf s LEU 86 N -1.93 4.60 -0.25 -0.37 1.43 0.14 -0.36 118.68 121.95 3fjf s LEU 86 Ca 0.06 -0.43 -0.20 0.00 -1.03 0.00 0.00 54.13 52.53 3fjf s LEU 86 Cb -0.10 -2.63 -0.02 0.00 0.03 0.00 0.00 46.19 43.47 3fjf s LEU 86 CO 0.04 -0.72 0.60 -0.70 0.23 0.00 0.00 176.35 175.80 3fjf s GLU 87 N 2.63 4.12 0.10 1.70 2.12 -0.39 -1.47 118.70 127.51 3fjf s GLU 87 Ca 0.20 0.50 0.04 0.00 0.36 0.00 0.00 54.97 56.06 3fjf s GLU 87 Cb -0.15 -3.64 -0.04 0.00 0.26 0.00 0.00 34.13 30.56 3fjf s GLU 87 CO 0.17 -0.37 -0.10 1.03 -0.54 0.00 0.00 175.26 175.46 3fjf s ARG 88 N 2.37 0.87 0.41 4.30 1.81 -0.32 -4.73 118.95 123.65 3fjf s ARG 88 Ca 0.25 -1.21 -0.23 0.00 -1.72 0.00 0.00 55.73 52.83 3fjf s ARG 88 Cb -0.16 -0.50 -0.10 0.00 -0.45 0.00 0.00 34.95 33.75 3fjf s ARG 88 CO 0.09 0.07 0.98 -1.17 -0.68 0.00 0.00 175.30 174.59 3fjf s LEU 89 N -2.60 4.06 -0.02 2.53 2.96 -0.41 -0.32 118.68 124.88 3fjf s LEU 89 Ca 0.07 1.84 -0.04 0.00 -0.22 0.00 0.00 54.13 55.78 3fjf s LEU 89 Cb -0.01 -4.34 0.00 0.00 0.50 0.00 0.00 46.19 42.34 3fjf s LEU 89 CO -0.01 -0.39 0.09 -0.70 -1.32 0.00 0.00 176.35 174.03 3fjf s GLU 90 N -2.78 0.23 -1.53 1.98 2.56 0.49 -4.82 118.70 114.83 3fjf s GLU 90 Ca 0.59 -0.08 -0.15 0.00 0.00 0.00 0.00 54.97 55.33 3fjf s GLU 90 Cb -0.15 0.10 0.12 0.00 2.00 0.00 0.00 34.13 36.20 3fjf s GLU 90 CO 0.20 -0.04 0.71 0.39 -0.56 0.00 0.00 175.26 175.96 3fjf n GLU 91 N 2.48 -3.51 -2.04 4.30 1.02 -1.26 -0.66 120.64 120.97 3fjf n GLU 91 Ca -0.16 0.42 -0.15 0.00 -0.02 0.00 0.00 57.16 57.25 3fjf n GLU 91 Cb 0.58 -5.17 -0.03 0.00 -0.02 0.00 0.00 31.44 26.80 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 -2.54 -4.27 0.00 1.62 4.13 -1.26 -4.57 115.26 108.37 3fjf n ASN 92 Ca 0.05 0.23 0.00 0.00 1.68 0.00 0.00 54.58 56.53 3fjf n ASN 92 Cb 0.51 -3.72 0.00 0.00 -1.54 0.00 0.00 39.78 35.03 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 -2.95 -1.74 -2.14 3.10 -0.00 0.16 -5.15 115.22 106.50 3fjf n HIS 93 Ca -0.17 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.29 3fjf n HIS 93 Cb 0.58 0.41 0.08 0.00 -0.00 0.00 0.00 29.99 31.06 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 -1.83 2.86 -0.12 1.57 1.51 0.13 -4.80 117.35 116.67 3fjf s TYR 94 Ca 0.00 0.48 -0.02 0.00 -1.01 0.00 0.00 57.07 56.52 3fjf s TYR 94 Cb 0.00 -3.28 -0.03 0.00 -0.11 0.00 0.00 41.96 38.55 3fjf s TYR 94 CO 0.00 -1.52 -0.04 -0.80 -1.11 0.00 0.00 175.55 172.08 3fjf s ASN 95 N -4.54 4.86 0.20 2.29 -0.87 0.87 -0.38 114.94 117.37 3fjf s ASN 95 Ca 0.61 -0.04 0.10 0.00 -1.57 0.00 0.00 52.86 51.96 3fjf s ASN 95 Cb -0.10 -1.55 -0.04 0.00 -0.02 0.00 0.00 41.25 39.53 3fjf s ASN 95 CO 0.46 0.27 -0.19 0.42 -2.57 0.00 0.00 177.10 175.48 3fjf s THR 96 N -0.22 2.06 -0.15 1.60 -4.23 0.56 -1.06 115.64 114.19 3fjf s THR 96 Ca 0.04 -2.07 -0.01 0.00 -1.18 0.00 0.00 61.69 58.46 3fjf s THR 96 Cb -0.13 -2.02 0.04 0.00 1.34 0.00 0.00 72.50 71.74 3fjf s THR 96 CO 0.02 -0.32 -0.02 -0.31 -0.54 0.00 0.00 174.62 173.46 3fjf s TYR 97 N -2.16 1.29 -0.13 3.99 2.02 -1.26 -1.18 117.35 119.92 3fjf s TYR 97 Ca 0.20 -0.83 -0.06 0.00 -0.37 0.00 0.00 57.07 56.02 3fjf s TYR 97 Cb -0.05 -1.12 -0.04 0.00 -0.40 0.00 0.00 41.96 40.34 3fjf s TYR 97 CO 0.09 -0.55 0.08 0.42 -1.57 0.00 0.00 175.55 174.02 3fjf s ILE 98 N 1.77 5.02 0.09 2.71 1.01 -0.54 -1.09 121.20 130.17 3fjf s ILE 98 Ca 0.01 0.03 -0.31 0.00 0.00 0.00 0.00 60.65 60.39 3fjf s ILE 98 Cb -0.15 -3.19 -0.10 0.00 0.01 0.00 0.00 42.46 39.03 3fjf s ILE 98 CO -0.07 0.56 1.82 -0.55 0.00 0.00 0.00 174.94 176.70 3fjf s SER 99 N -0.54 6.47 0.09 3.58 0.15 -0.24 0.27 113.70 123.48 3fjf s SER 99 Ca 0.11 2.68 -0.17 0.00 0.70 0.00 0.00 55.95 59.27 3fjf s SER 99 Cb -0.12 -2.56 -0.07 0.00 -1.71 0.00 0.00 66.02 61.56 3fjf s SER 99 CO 0.02 -0.99 1.49 0.50 1.20 0.00 0.00 173.24 175.46 3fjf h LYS 100 N 8.99 0.55 -0.77 5.44 3.64 -1.61 -0.28 116.57 132.54 3fjf h LYS 100 Ca -0.46 -0.21 0.06 0.00 -1.27 0.00 0.00 60.65 58.77 3fjf h LYS 100 Cb 1.22 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.96 3fjf h LYS 100 CO 0.94 0.75 0.50 -0.22 -2.27 0.00 0.00 179.45 179.16 3fjf h LYS 101 N 0.31 0.80 -0.47 1.90 1.63 -1.77 -2.26 116.57 116.71 3fjf h LYS 101 Ca 0.07 -0.05 -0.28 0.00 -0.85 0.00 0.00 60.65 59.54 3fjf h LYS 101 Cb 0.55 -0.18 -0.18 0.00 -0.60 0.00 0.00 32.23 31.83 3fjf h LYS 101 CO 0.03 0.53 -0.15 0.72 -3.45 0.00 0.00 179.45 177.13 3fjf n HIS 102 N -4.48 1.53 -0.19 1.91 8.25 -1.13 -4.75 115.22 116.36 3fjf n HIS 102 Ca 0.11 -1.85 0.07 0.00 -0.26 0.00 0.00 57.72 55.80 3fjf n HIS 102 Cb 0.22 -0.55 0.36 0.00 1.12 0.00 0.00 29.99 31.15 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 1.29 1.73 0.00 -1.41 0.00 -0.42 -0.58 119.26 119.87 3fjf h ALA 103 Ca 0.28 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 3fjf h ALA 103 Cb 1.54 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 19.15 3fjf h ALA 103 CO 0.55 0.14 -0.01 1.05 0.00 0.00 0.00 179.25 180.98 3fjf h GLU 104 N 0.74 0.00 -0.15 0.00 9.09 -1.85 -2.11 114.58 120.30 3fjf h GLU 104 Ca 0.33 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.74 3fjf h GLU 104 Cb 0.32 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.42 3fjf h GLU 104 CO -0.11 0.01 0.00 1.63 0.05 0.00 0.00 179.01 180.58 3fjf n LYS 105 N -3.11 2.13 -3.68 1.06 5.02 -0.23 -4.98 118.16 114.36 3fjf n LYS 105 Ca -0.01 -1.67 -0.21 0.00 -2.02 0.00 0.00 58.31 54.40 3fjf n LYS 105 Cb 0.23 -1.47 0.04 0.00 -0.02 0.00 0.00 35.03 33.81 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 0.95 -1.31 -4.64 4.39 4.13 -0.80 -4.95 115.26 113.04 3fjf n ASN 106 Ca 0.17 -0.80 -0.39 0.00 1.68 0.00 0.00 54.58 55.23 3fjf n ASN 106 Cb 0.50 -4.14 -0.08 0.00 -1.54 0.00 0.00 39.78 34.53 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 -3.64 3.31 0.26 3.10 0.52 -1.25 -4.38 118.94 116.86 3fjf s TRP 107 Ca 0.02 0.60 0.09 0.00 0.02 0.00 0.00 56.10 56.83 3fjf s TRP 107 Cb -0.01 -2.63 -0.04 0.00 -1.15 0.00 0.00 33.47 29.64 3fjf s TRP 107 CO 0.81 -0.17 0.03 -0.06 0.02 0.00 0.00 176.95 177.57 3fjf s PHE 108 N 1.89 2.77 0.04 -1.98 0.40 -1.26 -1.08 117.98 118.75 3fjf s PHE 108 Ca 0.20 -0.20 -0.30 0.00 -0.60 0.00 0.00 56.93 56.03 3fjf s PHE 108 Cb -0.15 -1.23 -0.04 0.00 0.51 0.00 0.00 43.02 42.10 3fjf s PHE 108 CO 0.09 0.60 0.98 0.08 0.70 0.00 0.00 175.22 177.67 3fjf s VAL 109 N -2.26 4.72 -0.04 -0.44 1.01 -0.25 -4.64 120.40 118.50 3fjf s VAL 109 Ca 0.31 2.05 -0.28 0.00 0.00 0.00 0.00 61.98 64.07 3fjf s VAL 109 Cb -0.07 -4.31 0.06 0.00 0.00 0.00 0.00 36.38 32.06 3fjf s VAL 109 CO 0.21 0.22 0.61 -0.83 0.00 0.00 0.00 175.10 175.30 3fjf s GLY 110 N 0.63 -0.50 -0.05 4.51 0.00 -1.26 -4.47 107.32 106.19 3fjf s GLY 110 Ca 0.50 1.11 0.06 0.00 0.00 0.00 0.00 44.72 46.39 3fjf s GLY 110 CO 0.29 0.78 -0.23 1.08 0.00 0.00 0.00 173.10 175.02 3fjf s LEU 111 N -1.24 2.04 0.74 0.66 1.43 -0.76 -0.32 118.68 121.23 3fjf s LEU 111 Ca -0.11 -0.47 -0.11 0.00 -1.03 0.00 0.00 54.13 52.40 3fjf s LEU 111 Cb -0.01 -1.28 0.04 0.00 0.03 0.00 0.00 46.19 44.97 3fjf s LEU 111 CO 0.09 0.24 1.12 -0.54 0.23 0.00 0.00 176.35 177.48 3fjf s LYS 112 N -0.19 2.52 0.49 1.70 1.02 0.72 -4.49 119.74 121.51 3fjf s LYS 112 Ca -0.02 0.29 0.19 0.00 0.02 0.00 0.00 55.97 56.45 3fjf s LYS 112 Cb -0.13 -2.01 1.21 0.00 -0.52 0.00 0.00 37.83 36.39 3fjf s LYS 112 CO 0.03 -1.23 2.02 0.87 -0.92 0.00 0.00 175.35 176.12 3fjf h LYS 113 N -0.78 0.17 -0.14 1.68 1.57 -1.88 -0.88 116.57 116.32 3fjf h LYS 113 Ca -0.45 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 3fjf h LYS 113 Cb 1.28 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.55 3fjf h LYS 113 CO 0.64 0.11 0.00 0.27 -0.57 0.00 0.00 179.45 179.91 3fjf n ASN 114 N -4.45 1.02 0.00 0.86 0.23 -1.26 -4.57 115.26 107.09 3fjf n ASN 114 Ca 0.07 -1.75 0.00 0.00 -0.53 0.00 0.00 54.58 52.37 3fjf n ASN 114 Cb 0.41 -0.09 0.00 0.00 -2.08 0.00 0.00 39.78 38.02 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 0.92 0.85 3.87 4.83 0.00 -0.33 -4.99 105.19 110.33 3fjf n GLY 115 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.01 6.65 0.51 1.61 1.04 -1.26 -0.34 113.70 118.91 3fjf s SER 116 Ca 0.00 1.02 -0.20 0.00 0.48 0.00 0.00 55.95 57.25 3fjf s SER 116 Cb 0.00 -2.27 -0.07 0.00 0.10 0.00 0.00 66.02 63.78 3fjf s SER 116 CO 0.00 -0.13 1.07 0.00 0.98 0.00 0.00 173.24 175.17 3fjf s LYS 118 N -3.26 4.15 0.21 0.00 1.02 0.57 -4.79 119.74 117.63 3fjf s LYS 118 Ca 0.69 0.76 -0.25 0.00 0.02 0.00 0.00 55.97 57.19 3fjf s LYS 118 Cb -0.19 -2.80 -0.08 0.00 -0.52 0.00 0.00 37.83 34.23 3fjf s LYS 118 CO 0.23 0.36 0.81 0.50 -0.92 0.00 0.00 175.35 176.34 3fjf s ARG 119 N -2.17 4.55 0.12 1.68 3.52 -1.26 -4.63 118.95 120.76 3fjf s ARG 119 Ca 0.44 1.17 -0.24 0.00 -0.13 0.00 0.00 55.73 56.98 3fjf s ARG 119 Cb -0.15 -3.13 -0.05 0.00 -1.56 0.00 0.00 34.95 30.06 3fjf s ARG 119 CO 0.20 0.49 1.20 0.41 -0.81 0.00 0.00 175.30 176.79 3fjf n GLY 120 N 1.28 -2.01 0.34 8.12 0.00 0.13 -0.66 105.19 112.39 3fjf n GLY 120 Ca -0.04 0.92 0.18 0.00 0.00 0.00 0.00 46.02 47.09 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 -0.01 1.61 0.11 -1.86 -0.90 132.00 130.95 3fjf h PRO 121 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 3fjf h PRO 121 Cb 0.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.43 3fjf h PRO 121 CO -0.73 0.00 -0.15 0.54 -0.21 0.00 0.00 178.00 177.45 3fjf n ARG 122 N -3.29 0.94 -3.60 1.05 5.12 0.17 -4.87 116.66 112.18 3fjf n ARG 122 Ca -0.01 -0.47 -0.20 0.00 -1.93 0.00 0.00 57.85 55.24 3fjf n ARG 122 Cb 0.28 -1.49 -0.01 0.00 -1.16 0.00 0.00 32.46 30.08 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 -2.38 4.55 -0.15 0.55 -4.23 -0.34 -4.95 115.64 108.69 3fjf s THR 123 Ca 0.29 -0.92 -0.34 0.00 -1.18 0.00 0.00 61.69 59.54 3fjf s THR 123 Cb 0.20 -3.60 0.13 0.00 1.34 0.00 0.00 72.50 70.57 3fjf s THR 123 CO 0.46 -0.26 1.22 -1.38 -0.54 0.00 0.00 174.62 174.13 3fjf s HIS 124 N -2.14 -0.11 0.55 3.99 -3.43 -1.26 -4.83 115.29 108.05 3fjf s HIS 124 Ca 0.41 0.05 -0.21 0.00 -0.80 0.00 0.00 55.06 54.51 3fjf s HIS 124 Cb -0.09 0.52 -0.06 0.00 -1.43 0.00 0.00 32.58 31.52 3fjf s HIS 124 CO 0.31 -0.22 1.12 0.66 -2.00 0.00 0.00 174.74 174.61 3fjf n TYR 125 N -0.17 1.45 0.00 0.38 4.01 -1.26 -2.93 117.16 118.63 3fjf n TYR 125 Ca -0.01 0.46 0.00 0.00 -0.16 0.00 0.00 57.90 58.18 3fjf n TYR 125 Cb 0.59 -2.24 0.00 0.00 -0.31 0.00 0.00 39.34 37.38 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 1.07 1.29 3.87 2.72 0.00 -1.26 -5.06 105.19 107.82 3fjf n GLY 126 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.65 3.76 0.10 1.61 -0.21 -1.15 -4.98 119.66 118.14 3fjf s GLN 127 Ca 0.00 0.67 0.08 0.00 0.02 0.00 0.00 55.36 56.13 3fjf s GLN 127 Cb 0.00 -2.22 -0.21 0.00 1.00 0.00 0.00 33.01 31.58 3fjf s GLN 127 CO 0.00 -0.28 1.19 0.87 -2.12 0.00 0.00 175.29 174.96 3fjf h LYS 128 N 0.59 0.00 -0.07 2.91 1.79 -1.97 -3.33 116.57 116.50 3fjf h LYS 128 Ca -0.46 0.00 0.02 0.00 -2.18 0.00 0.00 60.65 58.03 3fjf h LYS 128 Cb 1.19 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.84 3fjf h LYS 128 CO 0.62 0.91 0.05 0.00 -1.08 0.00 0.00 179.45 179.96 3fjf h ALA 129 N 1.01 1.94 -0.01 3.86 0.00 -1.94 -2.29 119.26 121.84 3fjf h ALA 129 Ca -0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3fjf h ALA 129 Cb 1.79 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.59 3fjf h ALA 129 CO 0.12 -0.09 -0.05 0.44 0.00 0.00 0.00 179.25 179.67 3fjf n ILE 130 N -4.33 0.00 -3.17 0.00 -5.35 -1.25 -1.83 119.36 103.43 3fjf n ILE 130 Ca -0.01 -0.16 -0.40 0.00 -0.27 0.00 0.00 62.75 61.91 3fjf n ILE 130 Cb 0.16 0.21 -0.07 0.00 -1.74 0.00 0.00 39.64 38.20 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 -2.15 4.08 0.16 7.28 1.43 -0.86 -4.46 118.68 124.17 3fjf s LEU 131 Ca 0.36 0.55 0.11 0.00 -1.03 0.00 0.00 54.13 54.12 3fjf s LEU 131 Cb 0.21 -2.75 -0.04 0.00 0.03 0.00 0.00 46.19 43.64 3fjf s LEU 131 CO 0.39 -0.35 -0.25 -0.36 0.23 0.00 0.00 176.35 176.01 3fjf s PHE 132 N 2.43 2.25 -0.13 0.29 0.40 -0.23 -3.23 117.98 119.77 3fjf s PHE 132 Ca 0.23 -0.38 0.01 0.00 -0.60 0.00 0.00 56.93 56.20 3fjf s PHE 132 Cb -0.15 -1.17 0.02 0.00 0.51 0.00 0.00 43.02 42.23 3fjf s PHE 132 CO 0.09 0.41 -0.15 -0.51 0.70 0.00 0.00 175.22 175.76 3fjf s LEU 133 N -2.37 1.72 -0.14 -0.37 1.43 -0.18 -0.09 118.68 118.69 3fjf s LEU 133 Ca 0.17 -0.46 -0.29 0.00 -1.03 0.00 0.00 54.13 52.52 3fjf s LEU 133 Cb -0.09 -1.14 -0.01 0.00 0.03 0.00 0.00 46.19 44.98 3fjf s LEU 133 CO 0.08 -0.01 1.09 -2.16 0.23 0.00 0.00 176.35 175.58 3fjf s PRO 134 N 1.17 4.34 0.10 1.29 0.04 -1.26 -1.02 135.00 139.66 3fjf s PRO 134 Ca -0.02 1.48 0.08 0.00 0.04 0.00 0.00 61.00 62.58 3fjf s PRO 134 Cb -0.14 -3.60 -0.04 0.00 0.04 0.00 0.00 34.50 30.76 3fjf s PRO 134 CO -0.05 -0.48 -0.16 -0.51 0.04 0.00 0.00 177.00 175.84 3fjf s LEU 135 N 2.58 2.77 0.56 -3.56 1.43 0.48 -4.91 118.68 118.03 3fjf s LEU 135 Ca 0.50 -0.48 -0.21 0.00 -1.03 0.00 0.00 54.13 52.91 3fjf s LEU 135 Cb -0.19 -1.61 -0.04 0.00 0.03 0.00 0.00 46.19 44.37 3fjf s LEU 135 CO 0.15 0.20 1.29 -2.84 0.23 0.00 0.00 176.35 175.37 3fjf s PRO 136 N -1.99 3.11 0.00 1.29 0.02 -1.26 -0.27 135.00 135.90 3fjf s PRO 136 Ca 0.18 2.05 0.29 0.00 0.02 0.00 0.00 61.00 63.54 3fjf s PRO 136 Cb -0.11 -2.15 1.71 0.00 0.02 0.00 0.00 34.50 33.97 3fjf s PRO 136 CO 0.10 -1.15 2.05 1.33 -0.33 0.00 0.00 177.00 178.99