#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fjb n PHE 1 N 0.00 1.94 -2.76 -1.40 7.35 -1.26 -5.00 117.46 116.33 3fjb n PHE 1 Ca 0.00 -2.03 -0.43 0.00 -0.76 0.00 0.00 57.45 54.24 3fjb n PHE 1 Cb 0.00 -0.30 -0.03 0.00 0.35 0.00 0.00 39.48 39.50 3fjb n PHE 1 CO 0.00 0.00 0.00 -0.80 -0.76 0.00 0.00 176.76 175.20 3fjb s ASN 2 N -3.52 6.89 -0.02 -2.13 0.01 -1.26 -5.02 114.94 109.89 3fjb s ASN 2 Ca 0.43 1.02 -0.01 0.00 -0.71 0.00 0.00 52.86 53.59 3fjb s ASN 2 Cb 0.38 -2.49 -0.04 0.00 0.41 0.00 0.00 41.25 39.51 3fjb s ASN 2 CO -0.00 -0.71 0.09 -0.76 -1.51 0.00 0.00 177.10 174.21 3fjb s LEU 3 N 3.26 3.98 0.64 0.60 1.43 -1.26 -0.63 118.68 126.69 3fjb s LEU 3 Ca 0.40 0.20 -0.12 0.00 -1.03 0.00 0.00 54.13 53.57 3fjb s LEU 3 Cb -0.14 -2.28 -0.02 0.00 0.03 0.00 0.00 46.19 43.78 3fjb s LEU 3 CO 0.11 0.29 1.04 -2.16 0.23 0.00 0.00 176.35 175.86 3fjb s PRO 4 N -1.67 3.28 0.83 1.29 0.04 -1.26 -4.65 135.00 132.85 3fjb s PRO 4 Ca 0.22 0.96 -0.12 0.00 0.04 0.00 0.00 61.00 62.10 3fjb s PRO 4 Cb -0.12 -2.03 0.11 0.00 0.04 0.00 0.00 34.50 32.49 3fjb s PRO 4 CO 0.13 -0.83 1.19 -1.25 0.04 0.00 0.00 177.00 176.29 3fjb s PRO 5 N -4.77 1.66 0.00 0.56 0.04 -1.26 -4.96 135.00 126.27 3fjb s PRO 5 Ca 0.59 -0.07 0.00 0.00 0.04 0.00 0.00 61.00 61.55 3fjb s PRO 5 Cb -0.13 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.45 3fjb s PRO 5 CO 0.48 -1.76 0.00 0.41 0.04 0.00 0.00 177.00 176.18 3fjb n GLY 6 N -3.38 1.98 1.06 0.56 0.00 -1.26 -5.11 105.19 99.04 3fjb n GLY 6 Ca 0.10 -1.98 -0.08 0.00 0.00 0.00 0.00 46.02 44.06 3fjb n GLY 6 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3fjb n ASN 7 N 0.00 0.68 -0.63 1.61 0.23 -1.26 -5.06 115.26 110.82 3fjb n ASN 7 Ca 0.00 -1.70 0.09 0.00 -0.53 0.00 0.00 54.58 52.44 3fjb n ASN 7 Cb 0.00 0.39 0.22 0.00 -2.08 0.00 0.00 39.78 38.31 3fjb n ASN 7 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 3fjb n TYR 8 N -0.27 0.64 -0.19 -2.53 4.01 -1.26 -4.74 117.16 112.81 3fjb n TYR 8 Ca -0.01 -0.89 -0.01 0.00 -0.16 0.00 0.00 57.90 56.83 3fjb n TYR 8 Cb 0.20 -0.25 0.09 0.00 -0.31 0.00 0.00 39.34 39.07 3fjb n TYR 8 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 3fjb h LYS 9 N 1.26 0.40 -6.08 -0.72 1.57 -1.97 -3.44 116.57 107.59 3fjb h LYS 9 Ca 0.00 -0.02 -0.61 0.00 -1.87 0.00 0.00 60.65 58.15 3fjb h LYS 9 Cb 1.28 -0.09 -0.14 0.00 0.08 0.00 0.00 32.23 33.36 3fjb h LYS 9 CO 0.15 0.27 -0.73 0.15 -0.57 0.00 0.00 179.45 178.71 3fjb s LYS 10 N -6.10 1.72 0.98 3.15 1.02 -1.26 -5.11 119.74 114.13 3fjb s LYS 10 Ca -0.13 -1.82 -0.12 0.00 0.02 0.00 0.00 55.97 53.92 3fjb s LYS 10 Cb 0.16 -1.72 0.18 0.00 -0.52 0.00 0.00 37.83 35.93 3fjb s LYS 10 CO 0.74 0.25 1.08 -1.25 -0.92 0.00 0.00 175.35 175.26 3fjb s PRO 11 N -3.55 0.58 0.28 -1.68 0.04 -1.26 -4.76 135.00 124.64 3fjb s PRO 11 Ca 0.31 0.96 -0.12 0.00 0.04 0.00 0.00 61.00 62.18 3fjb s PRO 11 Cb -0.02 -1.72 0.01 0.00 0.04 0.00 0.00 34.50 32.81 3fjb s PRO 11 CO 0.15 -2.75 0.54 -1.59 0.04 0.00 0.00 177.00 173.39 3fjb s LYS 12 N -4.75 1.70 -0.06 4.56 -2.85 0.13 -4.22 119.74 114.25 3fjb s LYS 12 Ca 0.65 -1.32 0.01 0.00 -1.00 0.00 0.00 55.97 54.31 3fjb s LYS 12 Cb -0.21 0.50 -0.03 0.00 -2.06 0.00 0.00 37.83 36.03 3fjb s LYS 12 CO 0.59 -0.73 -0.05 -0.51 0.10 0.00 0.00 175.35 174.76 3fjb s LEU 13 N -3.05 3.30 -0.45 2.77 1.43 0.14 -0.97 118.68 121.85 3fjb s LEU 13 Ca 0.22 0.00 -0.12 0.00 -1.03 0.00 0.00 54.13 53.20 3fjb s LEU 13 Cb -0.02 -1.77 0.08 0.00 0.03 0.00 0.00 46.19 44.52 3fjb s LEU 13 CO 0.11 0.35 0.34 -0.76 0.23 0.00 0.00 176.35 176.62 3fjb s LEU 14 N -0.98 5.47 -0.23 1.79 1.43 -1.26 -0.51 118.68 124.39 3fjb s LEU 14 Ca 0.14 -1.48 -0.23 0.00 -1.03 0.00 0.00 54.13 51.53 3fjb s LEU 14 Cb -0.11 -2.09 -0.01 0.00 0.03 0.00 0.00 46.19 44.01 3fjb s LEU 14 CO 0.03 -0.62 0.73 -0.47 0.23 0.00 0.00 176.35 176.26 3fjb s TYR 15 N 1.52 3.33 -0.29 0.29 5.04 0.01 -0.87 117.35 126.38 3fjb s TYR 15 Ca 0.04 1.02 -0.20 0.00 -2.44 0.00 0.00 57.07 55.49 3fjb s TYR 15 Cb -0.24 -2.94 -0.01 0.00 0.35 0.00 0.00 41.96 39.11 3fjb s TYR 15 CO 0.04 -0.32 0.59 0.00 -1.34 0.00 0.00 175.55 174.52 3fjb h SER 17 N 8.14 0.57 0.00 0.00 4.64 -1.58 0.25 113.55 125.57 3fjb h SER 17 Ca -0.27 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 3fjb h SER 17 Cb 1.12 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 3fjb h SER 17 CO 0.78 0.28 0.00 -3.20 -0.87 0.00 0.00 176.83 173.82 3fjb n ASN 18 N -4.54 0.00 -0.61 4.97 5.15 -1.22 -3.61 115.26 115.40 3fjb n ASN 18 Ca 0.17 0.03 0.13 0.00 -0.60 0.00 0.00 54.58 54.31 3fjb n ASN 18 Cb 0.51 0.00 0.41 0.00 -0.53 0.00 0.00 39.78 40.17 3fjb n ASN 18 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3fjb n GLY 19 N -0.06 0.31 1.85 8.20 0.00 -1.25 -4.93 105.19 109.31 3fjb n GLY 19 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.53 3fjb n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fjb n GLY 20 N 1.21 0.45 3.89 -0.02 0.00 0.07 -5.02 105.19 105.77 3fjb n GLY 20 Ca 0.18 -0.95 -0.31 0.00 0.00 0.00 0.00 46.02 44.94 3fjb n GLY 20 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3fjb s HIS 21 N -2.00 3.46 -0.10 1.61 3.76 -1.19 -4.68 115.29 116.15 3fjb s HIS 21 Ca 0.00 0.66 -0.15 0.00 -0.15 0.00 0.00 55.06 55.42 3fjb s HIS 21 Cb 0.00 -2.09 -0.05 0.00 1.11 0.00 0.00 32.58 31.55 3fjb s HIS 21 CO 0.00 0.34 0.37 -0.06 -0.85 0.00 0.00 174.74 174.54 3fjb s PHE 22 N -1.79 3.56 0.25 1.40 0.08 0.36 0.24 117.98 122.09 3fjb s PHE 22 Ca 0.43 0.79 -0.31 0.00 0.12 0.00 0.00 56.93 57.97 3fjb s PHE 22 Cb -0.12 -2.37 -0.12 0.00 -0.57 0.00 0.00 43.02 39.85 3fjb s PHE 22 CO 0.25 0.36 1.63 -0.11 -0.10 0.00 0.00 175.22 177.25 3fjb n LEU 23 N 3.01 4.11 -4.10 -0.37 7.94 -0.04 -1.63 117.00 125.91 3fjb n LEU 23 Ca -0.11 1.11 -0.25 0.00 -1.11 0.00 0.00 56.01 55.65 3fjb n LEU 23 Cb 0.52 -1.57 -0.16 0.00 0.53 0.00 0.00 43.42 42.74 3fjb n LEU 23 CO 0.40 0.11 -0.49 -0.60 -1.11 0.00 0.00 177.39 175.70 3fjb s ARG 24 N 0.14 1.58 -0.33 1.96 3.52 0.14 -4.52 118.95 121.44 3fjb s ARG 24 Ca 0.69 -0.53 -0.02 0.00 -0.13 0.00 0.00 55.73 55.73 3fjb s ARG 24 Cb -0.52 -1.39 0.07 0.00 -1.56 0.00 0.00 34.95 31.55 3fjb s ARG 24 CO 0.42 0.21 0.07 0.42 -0.81 0.00 0.00 175.30 175.61 3fjb s ILE 25 N 0.09 3.13 0.48 4.11 1.01 -0.68 -2.15 121.20 127.20 3fjb s ILE 25 Ca -0.04 -1.56 -0.16 0.00 0.00 0.00 0.00 60.65 58.89 3fjb s ILE 25 Cb -0.11 -2.91 -0.08 0.00 0.01 0.00 0.00 42.46 39.38 3fjb s ILE 25 CO 0.02 -0.28 0.94 -0.76 0.00 0.00 0.00 174.94 174.85 3fjb s LEU 26 N 1.23 3.70 0.32 2.97 1.43 -0.42 -4.80 118.68 123.11 3fjb s LEU 26 Ca -0.01 1.50 0.09 0.00 -1.03 0.00 0.00 54.13 54.68 3fjb s LEU 26 Cb -0.20 -4.41 0.87 0.00 0.03 0.00 0.00 46.19 42.48 3fjb s LEU 26 CO -0.02 -0.53 1.71 -0.65 0.23 0.00 0.00 176.35 177.10 3fjb h PRO 27 N 1.10 0.50 0.00 1.29 0.11 -1.99 0.96 132.00 133.97 3fjb h PRO 27 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3fjb h PRO 27 Cb 1.18 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3fjb h PRO 27 CO 0.62 0.33 0.00 -0.40 -0.21 0.00 0.00 178.00 178.34 3fjb n ASP 28 N -4.94 0.00 0.00 -2.05 5.75 -1.26 -4.85 116.55 109.20 3fjb n ASP 28 Ca 0.26 -1.79 0.00 0.00 -0.01 0.00 0.00 54.79 53.26 3fjb n ASP 28 Cb 0.75 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.84 3fjb n ASP 28 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3fjb n GLY 29 N 0.58 0.81 3.78 6.12 0.00 0.33 -4.95 105.19 111.86 3fjb n GLY 29 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 3fjb n GLY 29 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3fjb s THR 30 N -3.10 3.85 -0.12 2.61 -1.32 -1.25 -0.66 115.64 115.65 3fjb s THR 30 Ca 0.00 1.51 0.01 0.00 -1.21 0.00 0.00 61.69 62.00 3fjb s THR 30 Cb 0.00 -3.83 -0.01 0.00 -1.51 0.00 0.00 72.50 67.15 3fjb s THR 30 CO 0.00 0.10 -0.16 -0.63 -2.21 0.00 0.00 174.62 171.72 3fjb s ILE 31 N -1.57 2.79 0.00 5.08 -1.09 -1.26 -1.30 121.20 123.84 3fjb s ILE 31 Ca 0.53 -0.76 0.00 0.00 -2.23 0.00 0.00 60.65 58.20 3fjb s ILE 31 Cb -0.22 -2.15 0.00 0.00 -1.58 0.00 0.00 42.46 38.51 3fjb s ILE 31 CO 0.28 0.53 0.00 -0.90 -1.23 0.00 0.00 174.94 173.63 3fjb n ASP 32 N 3.50 0.00 -4.13 3.58 5.75 -0.91 -4.17 116.55 120.17 3fjb n ASP 32 Ca -0.18 -0.28 -0.13 0.00 -0.01 0.00 0.00 54.79 54.18 3fjb n ASP 32 Cb 0.53 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 40.51 3fjb n ASP 32 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3fjb s GLY 33 N -0.37 0.69 0.00 6.12 0.00 0.13 0.26 107.32 114.16 3fjb s GLY 33 Ca 0.00 -1.04 -0.04 0.00 0.00 0.00 0.00 44.72 43.64 3fjb s GLY 33 CO 0.00 -1.11 0.07 -1.08 0.00 0.00 0.00 173.10 170.98 3fjb s THR 34 N -2.20 0.08 -1.30 0.90 -1.32 -0.65 -4.75 115.64 106.40 3fjb s THR 34 Ca 0.00 -0.67 0.26 0.00 -1.21 0.00 0.00 61.69 60.07 3fjb s THR 34 Cb -0.04 -0.33 0.12 0.00 -1.51 0.00 0.00 72.50 70.73 3fjb s THR 34 CO -0.01 -0.37 1.48 0.54 -2.21 0.00 0.00 174.62 174.06 3fjb n ARG 35 N 1.74 0.33 -2.38 7.08 1.74 -1.26 -0.49 116.66 123.42 3fjb n ARG 35 Ca -0.22 -0.19 -0.42 0.00 -0.77 0.00 0.00 57.85 56.25 3fjb n ARG 35 Cb 0.56 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.48 3fjb n ARG 35 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3fjb s ASP 36 N -2.80 6.18 0.00 0.55 2.15 -1.26 -4.85 116.67 116.64 3fjb s ASP 36 Ca 0.16 0.43 0.22 0.00 0.43 0.00 0.00 52.55 53.79 3fjb s ASP 36 Cb 0.18 -2.54 1.10 0.00 -0.30 0.00 0.00 42.92 41.35 3fjb s ASP 36 CO 0.63 -1.63 1.69 -1.14 -0.17 0.00 0.00 175.17 174.54 3fjb n ARG 37 N 8.49 0.32 0.04 4.34 0.63 -1.26 -2.20 116.66 127.02 3fjb n ARG 37 Ca 0.14 0.08 0.12 0.00 -0.92 0.00 0.00 57.85 57.26 3fjb n ARG 37 Cb 0.49 -1.50 0.11 0.00 0.45 0.00 0.00 32.46 32.01 3fjb n ARG 37 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 3fjb n SER 38 N -1.27 0.64 -4.62 6.15 3.41 -1.26 -4.94 113.62 111.73 3fjb n SER 38 Ca 0.10 -0.09 -0.48 0.00 -0.26 0.00 0.00 58.87 58.14 3fjb n SER 38 Cb 0.17 0.48 -0.04 0.00 -0.26 0.00 0.00 64.21 64.55 3fjb n SER 38 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3fjb n ASP 39 N -1.96 2.08 -0.44 4.04 -0.08 -0.93 -4.87 116.55 114.38 3fjb n ASP 39 Ca 0.03 1.13 0.10 0.00 -1.51 0.00 0.00 54.79 54.53 3fjb n ASP 39 Cb 0.42 -1.30 0.39 0.00 2.34 0.00 0.00 41.12 42.98 3fjb n ASP 39 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3fjb n GLN 40 N 2.31 1.58 -0.65 -0.67 1.13 -1.26 -3.82 117.38 116.00 3fjb n GLN 40 Ca 0.15 -0.87 0.01 0.00 -1.94 0.00 0.00 57.00 54.35 3fjb n GLN 40 Cb 0.26 -1.36 0.21 0.00 0.11 0.00 0.00 30.24 29.46 3fjb n GLN 40 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 3fjb n HIS 41 N 0.10 0.93 0.26 1.08 8.25 -1.26 -4.50 115.22 120.07 3fjb n HIS 41 Ca 0.15 -1.36 0.04 0.00 -0.26 0.00 0.00 57.72 56.29 3fjb n HIS 41 Cb 0.27 -0.41 -0.05 0.00 1.12 0.00 0.00 29.99 30.92 3fjb n HIS 41 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 3fjb n ILE 42 N -0.98 0.00 -2.30 1.59 -5.35 -1.25 -1.69 119.36 109.37 3fjb n ILE 42 Ca 0.28 -0.27 -0.43 0.00 -0.27 0.00 0.00 62.75 62.06 3fjb n ILE 42 Cb 0.96 0.78 -0.02 0.00 -1.74 0.00 0.00 39.64 39.62 3fjb n ILE 42 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 3fjb s GLN 43 N -2.01 4.08 -0.03 6.28 1.11 -1.26 -4.54 119.66 123.29 3fjb s GLN 43 Ca 0.01 1.66 0.07 0.00 0.01 0.00 0.00 55.36 57.11 3fjb s GLN 43 Cb 0.06 -3.87 -0.02 0.00 -1.01 0.00 0.00 33.01 28.17 3fjb s GLN 43 CO 0.33 -0.92 -0.25 -0.51 0.01 0.00 0.00 175.29 173.95 3fjb s LEU 44 N 4.07 2.05 -0.27 2.90 1.43 -0.14 -2.55 118.68 126.17 3fjb s LEU 44 Ca 0.61 -0.47 -0.07 0.00 -1.03 0.00 0.00 54.13 53.17 3fjb s LEU 44 Cb -0.23 -1.31 -0.01 0.00 0.03 0.00 0.00 46.19 44.67 3fjb s LEU 44 CO 0.21 0.29 0.07 -1.58 0.23 0.00 0.00 176.35 175.58 3fjb s GLN 45 N -0.45 3.38 0.04 1.70 2.00 0.12 0.18 119.66 126.62 3fjb s GLN 45 Ca 0.06 -0.66 -0.02 0.00 -2.00 0.00 0.00 55.36 52.73 3fjb s GLN 45 Cb -0.11 -3.34 -0.04 0.00 0.80 0.00 0.00 33.01 30.31 3fjb s GLN 45 CO 0.00 -0.31 0.23 -0.51 -0.50 0.00 0.00 175.29 174.20 3fjb s LEU 46 N 1.56 4.35 0.04 3.68 1.02 -1.26 -0.82 118.68 127.25 3fjb s LEU 46 Ca 0.05 0.38 -0.04 0.00 0.02 0.00 0.00 54.13 54.53 3fjb s LEU 46 Cb -0.16 -2.85 -0.01 0.00 0.02 0.00 0.00 46.19 43.19 3fjb s LEU 46 CO 0.03 0.20 0.07 -0.94 0.02 0.00 0.00 176.35 175.73 3fjb s SER 47 N -2.20 0.21 -0.17 2.29 1.04 -0.98 -4.75 113.70 109.15 3fjb s SER 47 Ca 0.32 -0.57 -0.04 0.00 0.48 0.00 0.00 55.95 56.14 3fjb s SER 47 Cb -0.13 0.21 -0.03 0.00 0.10 0.00 0.00 66.02 66.18 3fjb s SER 47 CO 0.23 -0.49 -0.03 0.00 0.98 0.00 0.00 173.24 173.93 3fjb s ALA 48 N -2.59 3.01 0.00 5.32 0.00 -1.26 -0.79 121.76 125.45 3fjb s ALA 48 Ca -0.05 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 51.05 3fjb s ALA 48 Cb -0.01 -1.61 0.00 0.00 0.00 0.00 0.00 23.12 21.50 3fjb s ALA 48 CO -0.05 0.13 0.00 -1.91 0.00 0.00 0.00 175.76 173.93 3fjb n GLU 49 N 3.70 0.00 -2.93 0.00 4.07 -0.65 -4.96 120.64 119.87 3fjb n GLU 49 Ca -0.17 0.00 -0.18 0.00 -0.06 0.00 0.00 57.16 56.74 3fjb n GLU 49 Cb 0.52 -0.17 0.03 0.00 -0.06 0.00 0.00 31.44 31.76 3fjb n GLU 49 CO 0.00 0.00 0.00 -1.12 -0.06 0.00 0.00 177.13 175.95 3fjb s SER 50 N -1.00 5.46 0.27 4.31 0.01 -1.26 -4.97 113.70 116.51 3fjb s SER 50 Ca 0.00 -0.41 -0.31 0.00 1.31 0.00 0.00 55.95 56.54 3fjb s SER 50 Cb 0.00 -0.52 -0.12 0.00 0.21 0.00 0.00 66.02 65.59 3fjb s SER 50 CO 0.00 -0.96 1.65 0.52 0.41 0.00 0.00 173.24 174.86 3fjb n VAL 51 N -2.03 0.68 -0.33 3.43 0.31 -1.26 -1.23 118.33 117.90 3fjb n VAL 51 Ca 0.09 -0.17 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 3fjb n VAL 51 Cb 0.60 -1.98 0.00 0.00 -0.91 0.00 0.00 33.84 31.54 3fjb n VAL 51 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3fjb n GLY 52 N 2.78 2.08 3.54 2.92 0.00 -1.26 -5.01 105.19 110.24 3fjb n GLY 52 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 3fjb n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fjb s GLU 53 N -0.09 3.40 0.10 1.61 2.02 -0.36 -1.65 118.70 123.73 3fjb s GLU 53 Ca 0.00 -0.51 0.02 0.00 0.02 0.00 0.00 54.97 54.51 3fjb s GLU 53 Cb 0.00 -2.84 -0.04 0.00 0.10 0.00 0.00 34.13 31.35 3fjb s GLU 53 CO 0.00 0.39 -0.07 0.14 0.02 0.00 0.00 175.26 175.74 3fjb s VAL 54 N -0.05 0.77 0.04 2.63 -7.23 0.26 -1.63 120.40 115.19 3fjb s VAL 54 Ca 0.02 -1.90 0.03 0.00 -1.81 0.00 0.00 61.98 58.31 3fjb s VAL 54 Cb -0.13 -1.64 -0.04 0.00 0.56 0.00 0.00 36.38 35.13 3fjb s VAL 54 CO 0.03 -0.82 0.00 -0.31 -0.31 0.00 0.00 175.10 173.69 3fjb s TYR 55 N -3.42 3.04 -0.29 2.82 2.02 0.03 -1.44 117.35 120.10 3fjb s TYR 55 Ca 0.11 0.03 0.01 0.00 -0.37 0.00 0.00 57.07 56.86 3fjb s TYR 55 Cb 0.04 -1.61 0.09 0.00 -0.40 0.00 0.00 41.96 40.07 3fjb s TYR 55 CO -0.04 0.47 0.03 0.42 -1.57 0.00 0.00 175.55 174.86 3fjb s ILE 56 N -1.19 1.60 -0.05 2.71 1.01 -1.26 -2.32 121.20 121.70 3fjb s ILE 56 Ca 0.23 -1.66 -0.00 0.00 0.00 0.00 0.00 60.65 59.21 3fjb s ILE 56 Cb -0.12 -2.07 -0.03 0.00 0.01 0.00 0.00 42.46 40.25 3fjb s ILE 56 CO 0.14 -0.44 0.00 -0.75 0.00 0.00 0.00 174.94 173.90 3fjb s LYS 57 N 1.29 2.90 -0.43 2.79 2.20 0.00 -0.92 119.74 127.57 3fjb s LYS 57 Ca 0.04 -0.50 -0.29 0.00 -0.36 0.00 0.00 55.97 54.87 3fjb s LYS 57 Cb -0.18 -2.74 0.03 0.00 -1.51 0.00 0.00 37.83 33.42 3fjb s LYS 57 CO -0.12 0.67 1.12 0.45 -0.36 0.00 0.00 175.35 177.10 3fjb s SER 58 N -1.20 6.71 0.50 1.43 0.15 0.17 0.15 113.70 121.61 3fjb s SER 58 Ca 0.16 0.63 0.23 0.00 0.70 0.00 0.00 55.95 57.67 3fjb s SER 58 Cb -0.11 -2.55 1.33 0.00 -1.71 0.00 0.00 66.02 62.98 3fjb s SER 58 CO 0.06 -1.15 2.06 0.71 1.20 0.00 0.00 173.24 176.12 3fjb h THR 59 N 6.09 0.75 0.02 6.45 1.35 -1.82 0.31 112.91 126.06 3fjb h THR 59 Ca -0.22 -0.54 -0.00 0.00 -0.55 0.00 0.00 66.41 65.09 3fjb h THR 59 Cb 1.06 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 68.81 3fjb h THR 59 CO 1.10 0.13 -0.01 -0.08 -0.25 0.00 0.00 175.52 176.41 3fjb h GLU 60 N 0.00 -0.03 0.00 4.72 4.57 -1.82 -3.38 114.58 118.64 3fjb h GLU 60 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3fjb h GLU 60 Cb 0.32 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.91 3fjb h GLU 60 CO 0.02 0.67 -1.01 0.25 -1.18 0.00 0.00 179.01 177.76 3fjb n THR 61 N -4.75 0.00 -0.99 0.32 -2.24 -1.20 -5.00 114.28 100.42 3fjb n THR 61 Ca -0.09 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 3fjb n THR 61 Cb 0.35 0.82 0.00 0.00 -2.10 0.00 0.00 70.33 69.40 3fjb n THR 61 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fjb n GLY 62 N 1.42 0.79 3.85 3.38 0.00 0.11 -5.02 105.19 109.72 3fjb n GLY 62 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 3fjb n GLY 62 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3fjb s GLN 63 N -0.06 3.80 -0.05 1.61 -0.21 -1.25 -4.76 119.66 118.74 3fjb s GLN 63 Ca 0.00 0.87 0.01 0.00 0.02 0.00 0.00 55.36 56.26 3fjb s GLN 63 Cb 0.00 -2.11 -0.03 0.00 1.00 0.00 0.00 33.01 31.87 3fjb s GLN 63 CO 0.00 -0.39 -0.06 0.71 -2.12 0.00 0.00 175.29 173.42 3fjb s TYR 64 N -2.86 2.94 0.35 0.91 1.51 0.47 -0.66 117.35 120.02 3fjb s TYR 64 Ca 0.57 0.02 -0.28 0.00 -1.01 0.00 0.00 57.07 56.37 3fjb s TYR 64 Cb -0.10 -1.68 -0.09 0.00 -0.11 0.00 0.00 41.96 39.97 3fjb s TYR 64 CO 0.41 0.36 1.24 -1.17 -1.11 0.00 0.00 175.55 175.27 3fjb s LEU 65 N -1.01 4.36 0.07 -1.29 2.96 -0.09 0.42 118.68 124.09 3fjb s LEU 65 Ca 0.14 2.54 -0.08 0.00 -0.22 0.00 0.00 54.13 56.51 3fjb s LEU 65 Cb -0.11 -3.77 -0.00 0.00 0.50 0.00 0.00 46.19 42.80 3fjb s LEU 65 CO 0.03 -0.56 0.17 0.00 -1.32 0.00 0.00 176.35 174.68 3fjb s ALA 66 N -1.23 -0.20 -0.08 5.97 0.00 -0.31 -4.38 121.76 121.53 3fjb s ALA 66 Ca 0.51 -0.55 0.01 0.00 0.00 0.00 0.00 51.96 51.93 3fjb s ALA 66 Cb -0.36 0.39 0.02 0.00 0.00 0.00 0.00 23.12 23.17 3fjb s ALA 66 CO 0.47 -0.44 -0.09 1.41 0.00 0.00 0.00 175.76 177.10 3fjb s MET 67 N -3.40 1.53 0.66 0.00 1.75 -0.29 -1.28 119.30 118.27 3fjb s MET 67 Ca 0.01 -0.31 -0.09 0.00 -1.25 0.00 0.00 55.69 54.05 3fjb s MET 67 Cb 0.03 -1.42 0.15 0.00 2.84 0.00 0.00 34.83 36.43 3fjb s MET 67 CO -0.08 -0.11 0.90 -0.40 -0.65 0.00 0.00 175.02 174.68 3fjb n ASP 68 N 4.32 0.26 0.13 1.11 5.68 -0.33 -4.80 116.55 122.92 3fjb n ASP 68 Ca -0.19 -1.45 0.10 0.00 -0.50 0.00 0.00 54.79 52.76 3fjb n ASP 68 Cb 0.51 -0.67 0.50 0.00 -1.14 0.00 0.00 41.12 40.31 3fjb n ASP 68 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3fjb n THR 69 N -3.13 1.03 0.61 2.12 -2.24 -1.26 -0.59 114.28 110.81 3fjb n THR 69 Ca 0.12 0.50 0.12 0.00 -2.27 0.00 0.00 64.05 62.52 3fjb n THR 69 Cb 0.42 -1.46 0.22 0.00 -2.10 0.00 0.00 70.33 67.40 3fjb n THR 69 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3fjb n ASP 70 N -2.16 3.10 0.00 3.42 8.00 -1.26 -4.95 116.55 122.69 3fjb n ASP 70 Ca 0.00 -1.95 0.00 0.00 0.71 0.00 0.00 54.79 53.55 3fjb n ASP 70 Cb 0.11 -0.17 0.00 0.00 -0.02 0.00 0.00 41.12 41.04 3fjb n ASP 70 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fjb n GLY 71 N 1.42 0.42 3.85 0.44 0.00 0.24 -4.63 105.19 106.92 3fjb n GLY 71 Ca 0.18 -1.03 -0.37 0.00 0.00 0.00 0.00 46.02 44.80 3fjb n GLY 71 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fjb s LEU 72 N 0.00 4.33 0.33 0.99 2.01 -1.26 0.57 118.68 125.65 3fjb s LEU 72 Ca 0.00 0.42 -0.18 0.00 0.01 0.00 0.00 54.13 54.37 3fjb s LEU 72 Cb 0.00 -2.06 -0.09 0.00 0.01 0.00 0.00 46.19 44.04 3fjb s LEU 72 CO 0.00 0.37 0.80 -0.76 1.01 0.00 0.00 176.35 177.77 3fjb s LEU 73 N -0.78 4.10 0.20 1.79 1.43 -1.26 -1.19 118.68 122.98 3fjb s LEU 73 Ca 0.14 1.45 -0.21 0.00 -1.03 0.00 0.00 54.13 54.48 3fjb s LEU 73 Cb -0.12 -4.10 0.05 0.00 0.03 0.00 0.00 46.19 42.04 3fjb s LEU 73 CO 0.03 -0.19 0.62 -0.72 0.23 0.00 0.00 176.35 176.31 3fjb s TYR 74 N -1.92 -0.34 -0.22 0.29 1.13 -0.41 -4.64 117.35 111.24 3fjb s TYR 74 Ca 0.54 0.02 -0.18 0.00 -1.41 0.00 0.00 57.07 56.04 3fjb s TYR 74 Cb -0.12 0.56 -0.03 0.00 -1.10 0.00 0.00 41.96 41.28 3fjb s TYR 74 CO 0.17 -0.98 0.52 0.20 -2.51 0.00 0.00 175.55 172.96 3fjb s GLY 75 N -2.83 2.00 -0.02 5.49 0.00 0.17 -1.16 107.32 110.97 3fjb s GLY 75 Ca 0.06 -0.46 -0.09 0.00 0.00 0.00 0.00 44.72 44.23 3fjb s GLY 75 CO -0.05 1.14 0.28 -0.45 0.00 0.00 0.00 173.10 174.02 3fjb s SER 76 N 1.27 6.56 0.38 1.64 0.15 0.17 -4.78 113.70 119.08 3fjb s SER 76 Ca 0.23 0.66 0.20 0.00 0.70 0.00 0.00 55.95 57.74 3fjb s SER 76 Cb -0.15 -2.13 0.65 0.00 -1.71 0.00 0.00 66.02 62.67 3fjb s SER 76 CO 0.09 0.31 1.71 1.56 1.20 0.00 0.00 173.24 178.12 3fjb h GLN 77 N 4.43 0.00 -5.36 5.44 1.08 -1.91 0.14 115.11 118.92 3fjb h GLN 77 Ca -0.52 0.00 -0.41 0.00 -1.45 0.00 0.00 58.65 56.28 3fjb h GLN 77 Cb 1.21 0.00 -0.19 0.00 -0.05 0.00 0.00 27.48 28.45 3fjb h GLN 77 CO 0.63 0.35 -0.76 0.95 -0.95 0.00 0.00 178.83 179.04 3fjb s THR 78 N -3.51 1.25 -0.39 -0.54 -4.23 -1.26 -4.82 115.64 102.13 3fjb s THR 78 Ca 0.01 -1.63 -0.23 0.00 -1.18 0.00 0.00 61.69 58.66 3fjb s THR 78 Cb 0.10 -1.43 0.01 0.00 1.34 0.00 0.00 72.50 72.52 3fjb s THR 78 CO 0.68 -0.39 0.76 -2.16 -0.54 0.00 0.00 174.62 172.97 3fjb s PRO 79 N -2.51 3.62 0.00 3.99 0.04 -1.26 -4.74 135.00 134.13 3fjb s PRO 79 Ca 0.07 0.13 0.00 0.00 0.04 0.00 0.00 61.00 61.24 3fjb s PRO 79 Cb -0.06 -3.85 0.00 0.00 0.04 0.00 0.00 34.50 30.63 3fjb s PRO 79 CO 0.03 -0.93 0.00 0.27 0.04 0.00 0.00 177.00 176.41 3fjb n ASN 80 N 6.47 0.60 0.26 6.66 0.23 -1.26 -5.00 115.26 123.22 3fjb n ASN 80 Ca 0.02 -0.59 0.10 0.00 -0.53 0.00 0.00 54.58 53.58 3fjb n ASN 80 Cb 0.48 0.00 0.71 0.00 -2.08 0.00 0.00 39.78 38.90 3fjb n ASN 80 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 3fjb h GLU 81 N 0.00 0.00 0.00 -3.83 4.11 -1.98 -0.95 114.58 111.93 3fjb h GLU 81 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3fjb h GLU 81 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3fjb h GLU 81 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 179.01 179.47 3fjb n GLU 82 N -4.35 0.21 0.00 1.06 1.02 -1.26 -3.34 120.64 113.97 3fjb n GLU 82 Ca -0.02 0.07 0.10 0.00 -0.02 0.00 0.00 57.16 57.29 3fjb n GLU 82 Cb 0.11 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.01 3fjb n GLU 82 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3fjb s LEU 84 N -2.42 4.32 0.07 0.00 1.43 -1.21 -4.48 118.68 116.40 3fjb s LEU 84 Ca 0.15 0.99 0.08 0.00 -1.03 0.00 0.00 54.13 54.31 3fjb s LEU 84 Cb 0.16 -2.84 -0.03 0.00 0.03 0.00 0.00 46.19 43.51 3fjb s LEU 84 CO 0.56 0.00 -0.21 -0.36 0.23 0.00 0.00 176.35 176.58 3fjb s PHE 85 N 0.44 1.79 -0.46 0.29 0.40 -0.52 -1.19 117.98 118.73 3fjb s PHE 85 Ca 0.30 -0.40 -0.22 0.00 -0.60 0.00 0.00 56.93 56.01 3fjb s PHE 85 Cb -0.16 -1.02 0.03 0.00 0.51 0.00 0.00 43.02 42.37 3fjb s PHE 85 CO 0.14 0.15 0.74 -0.51 0.70 0.00 0.00 175.22 176.44 3fjb s LEU 86 N -1.55 4.39 -0.34 -0.37 1.43 0.12 -0.58 118.68 121.78 3fjb s LEU 86 Ca 0.07 -0.29 -0.22 0.00 -1.03 0.00 0.00 54.13 52.66 3fjb s LEU 86 Cb -0.09 -2.82 0.00 0.00 0.03 0.00 0.00 46.19 43.30 3fjb s LEU 86 CO 0.03 -0.90 0.71 -0.70 0.23 0.00 0.00 176.35 175.72 3fjb s GLU 87 N 3.15 3.81 0.14 1.70 2.12 -0.66 -1.61 118.70 127.36 3fjb s GLU 87 Ca 0.26 0.30 0.06 0.00 0.36 0.00 0.00 54.97 55.95 3fjb s GLU 87 Cb -0.13 -3.77 -0.04 0.00 0.26 0.00 0.00 34.13 30.44 3fjb s GLU 87 CO 0.20 -0.72 -0.14 1.03 -0.54 0.00 0.00 175.26 175.09 3fjb s ARG 88 N 2.85 1.10 0.45 4.30 1.81 -0.49 -4.67 118.95 124.30 3fjb s ARG 88 Ca 0.28 -1.34 -0.21 0.00 -1.72 0.00 0.00 55.73 52.74 3fjb s ARG 88 Cb -0.14 -0.95 -0.10 0.00 -0.45 0.00 0.00 34.95 33.31 3fjb s ARG 88 CO 0.14 0.17 0.99 -1.17 -0.68 0.00 0.00 175.30 174.75 3fjb s LEU 89 N -2.70 3.92 -0.01 2.53 2.96 0.19 -0.95 118.68 124.63 3fjb s LEU 89 Ca 0.13 1.81 -0.01 0.00 -0.22 0.00 0.00 54.13 55.83 3fjb s LEU 89 Cb -0.03 -4.52 0.00 0.00 0.50 0.00 0.00 46.19 42.14 3fjb s LEU 89 CO 0.04 -0.53 0.03 -0.70 -1.32 0.00 0.00 176.35 173.87 3fjb s GLU 90 N -3.13 0.03 -1.24 1.98 2.56 0.66 -4.80 118.70 114.76 3fjb s GLU 90 Ca 0.64 0.05 -0.04 0.00 0.00 0.00 0.00 54.97 55.61 3fjb s GLU 90 Cb -0.13 0.01 0.03 0.00 2.00 0.00 0.00 34.13 36.04 3fjb s GLU 90 CO 0.17 -0.01 0.26 0.39 -0.56 0.00 0.00 175.26 175.51 3fjb n GLU 91 N 3.10 -3.00 -2.22 4.30 1.02 -1.26 -0.57 120.64 122.01 3fjb n GLU 91 Ca -0.13 0.61 -0.18 0.00 -0.02 0.00 0.00 57.16 57.45 3fjb n GLU 91 Cb 0.59 -5.29 -0.02 0.00 -0.02 0.00 0.00 31.44 26.70 3fjb n GLU 91 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3fjb n ASN 92 N -2.09 -5.10 0.00 1.62 4.13 -1.26 -4.65 115.26 107.91 3fjb n ASN 92 Ca -0.10 0.14 0.00 0.00 1.68 0.00 0.00 54.58 56.30 3fjb n ASN 92 Cb 0.59 -4.34 0.00 0.00 -1.54 0.00 0.00 39.78 34.50 3fjb n ASN 92 CO 0.00 0.00 0.00 1.57 0.28 0.00 0.00 177.26 179.11 3fjb n HIS 93 N -3.44 -1.91 -2.26 3.10 -0.00 0.27 -5.16 115.22 105.82 3fjb n HIS 93 Ca -0.21 0.00 -0.25 0.00 -0.00 0.00 0.00 57.72 57.26 3fjb n HIS 93 Cb 0.65 0.47 0.06 0.00 -0.00 0.00 0.00 29.99 31.17 3fjb n HIS 93 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 3fjb s TYR 94 N -1.94 2.92 -0.11 1.57 2.02 -0.09 -4.83 117.35 116.89 3fjb s TYR 94 Ca 0.00 0.39 -0.01 0.00 -0.37 0.00 0.00 57.07 57.08 3fjb s TYR 94 Cb 0.00 -3.13 -0.03 0.00 -0.40 0.00 0.00 41.96 38.40 3fjb s TYR 94 CO 0.00 -1.33 -0.06 -0.80 -1.57 0.00 0.00 175.55 171.79 3fjb s ASN 95 N -4.50 4.66 0.23 2.29 -0.87 0.55 -0.24 114.94 117.05 3fjb s ASN 95 Ca 0.60 -0.10 0.10 0.00 -1.57 0.00 0.00 52.86 51.89 3fjb s ASN 95 Cb -0.11 -1.50 -0.05 0.00 -0.02 0.00 0.00 41.25 39.58 3fjb s ASN 95 CO 0.44 0.26 -0.19 0.42 -2.57 0.00 0.00 177.10 175.45 3fjb s THR 96 N -0.17 2.20 -0.21 1.60 -4.23 -0.12 -0.85 115.64 113.84 3fjb s THR 96 Ca 0.02 -2.22 -0.02 0.00 -1.18 0.00 0.00 61.69 58.30 3fjb s THR 96 Cb -0.13 -2.14 0.06 0.00 1.34 0.00 0.00 72.50 71.63 3fjb s THR 96 CO 0.03 -0.38 0.02 -0.31 -0.54 0.00 0.00 174.62 173.44 3fjb s TYR 97 N -2.38 1.42 -0.12 3.99 2.02 -1.26 -1.39 117.35 119.63 3fjb s TYR 97 Ca 0.24 -1.15 -0.06 0.00 -0.37 0.00 0.00 57.07 55.73 3fjb s TYR 97 Cb -0.05 -1.22 -0.04 0.00 -0.40 0.00 0.00 41.96 40.25 3fjb s TYR 97 CO 0.11 -0.67 0.11 0.42 -1.57 0.00 0.00 175.55 173.95 3fjb s ILE 98 N 1.72 5.27 0.03 2.71 1.01 -0.63 -1.20 121.20 130.11 3fjb s ILE 98 Ca -0.01 0.12 -0.31 0.00 0.00 0.00 0.00 60.65 60.44 3fjb s ILE 98 Cb -0.18 -3.29 -0.10 0.00 0.01 0.00 0.00 42.46 38.90 3fjb s ILE 98 CO -0.09 0.60 1.91 -0.24 0.00 0.00 0.00 174.94 177.13 3fjb n SER 99 N 2.14 3.94 -0.03 3.58 2.88 -0.33 0.11 113.62 125.92 3fjb n SER 99 Ca -0.19 0.94 -0.12 0.00 -1.33 0.00 0.00 58.87 58.17 3fjb n SER 99 Cb 0.55 -1.49 -0.06 0.00 -0.75 0.00 0.00 64.21 62.45 3fjb n SER 99 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 3fjb h LYS 100 N 9.69 0.17 -0.41 -1.46 3.64 -1.48 0.12 116.57 126.84 3fjb h LYS 100 Ca -0.49 -0.04 0.05 0.00 -1.27 0.00 0.00 60.65 58.90 3fjb h LYS 100 Cb 1.24 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 33.02 3fjb h LYS 100 CO 0.94 0.33 0.28 -0.22 -2.27 0.00 0.00 179.45 178.51 3fjb h LYS 101 N -0.02 0.35 -0.32 1.90 3.64 -1.77 -2.11 116.57 118.24 3fjb h LYS 101 Ca 0.03 -0.02 -0.16 0.00 -1.27 0.00 0.00 60.65 59.23 3fjb h LYS 101 Cb 0.24 -0.08 -0.10 0.00 -0.41 0.00 0.00 32.23 31.88 3fjb h LYS 101 CO -0.00 0.23 -0.11 0.72 -2.27 0.00 0.00 179.45 178.02 3fjb n HIS 102 N -4.48 1.00 -0.27 1.91 8.25 -1.11 -4.78 115.22 115.74 3fjb n HIS 102 Ca 0.05 -1.57 0.12 0.00 -0.26 0.00 0.00 57.72 56.06 3fjb n HIS 102 Cb 0.22 -0.47 0.37 0.00 1.12 0.00 0.00 29.99 31.23 3fjb n HIS 102 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3fjb h ALA 103 N 1.02 1.82 0.00 -1.41 0.00 -0.04 0.25 119.26 120.90 3fjb h ALA 103 Ca 0.20 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3fjb h ALA 103 Cb 1.61 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.27 3fjb h ALA 103 CO 0.36 -0.05 0.00 1.05 0.00 0.00 0.00 179.25 180.60 3fjb h GLU 104 N 0.71 0.00 -0.01 0.00 9.09 -1.85 -2.34 114.58 120.17 3fjb h GLU 104 Ca 0.44 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.85 3fjb h GLU 104 Cb 0.69 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.79 3fjb h GLU 104 CO -0.20 0.00 -0.38 1.63 0.05 0.00 0.00 179.01 180.11 3fjb n LYS 105 N -2.52 1.00 -3.60 1.06 5.02 0.07 -4.97 118.16 114.23 3fjb n LYS 105 Ca 0.01 -0.73 -0.21 0.00 -2.02 0.00 0.00 58.31 55.36 3fjb n LYS 105 Cb 0.22 -1.48 0.05 0.00 -0.02 0.00 0.00 35.03 33.79 3fjb n LYS 105 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3fjb n ASN 106 N -0.36 -2.21 -4.58 4.39 4.13 -0.88 -4.95 115.26 110.79 3fjb n ASN 106 Ca 0.11 -0.79 -0.40 0.00 1.68 0.00 0.00 54.58 55.18 3fjb n ASN 106 Cb 0.41 -4.31 -0.09 0.00 -1.54 0.00 0.00 39.78 34.25 3fjb n ASN 106 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 3fjb s TRP 107 N -3.57 3.22 0.27 3.10 0.51 -1.25 -4.57 118.94 116.65 3fjb s TRP 107 Ca 0.09 0.29 0.07 0.00 -2.12 0.00 0.00 56.10 54.43 3fjb s TRP 107 Cb -0.02 -2.70 -0.03 0.00 -0.81 0.00 0.00 33.47 29.91 3fjb s TRP 107 CO 0.79 -0.35 0.26 -0.06 -0.51 0.00 0.00 176.95 177.08 3fjb s PHE 108 N 2.17 3.14 0.07 -1.98 0.40 -1.26 -1.18 117.98 119.33 3fjb s PHE 108 Ca 0.16 -0.13 -0.28 0.00 -0.60 0.00 0.00 56.93 56.08 3fjb s PHE 108 Cb -0.16 -1.54 -0.05 0.00 0.51 0.00 0.00 43.02 41.77 3fjb s PHE 108 CO 0.11 0.41 0.87 0.08 0.70 0.00 0.00 175.22 177.39 3fjb s VAL 109 N -2.14 4.65 -0.01 -0.44 1.01 -0.34 -4.51 120.40 118.63 3fjb s VAL 109 Ca 0.35 1.86 -0.28 0.00 0.00 0.00 0.00 61.98 63.91 3fjb s VAL 109 Cb -0.08 -4.22 0.07 0.00 0.00 0.00 0.00 36.38 32.14 3fjb s VAL 109 CO 0.26 0.32 0.64 -0.83 0.00 0.00 0.00 175.10 175.49 3fjb s GLY 110 N 0.11 -0.55 -0.00 4.51 0.00 -1.26 -4.46 107.32 105.66 3fjb s GLY 110 Ca 0.43 1.08 0.08 0.00 0.00 0.00 0.00 44.72 46.32 3fjb s GLY 110 CO 0.26 0.74 -0.26 1.08 0.00 0.00 0.00 173.10 174.93 3fjb s LEU 111 N -1.50 2.08 0.75 0.66 1.43 -0.81 0.13 118.68 121.41 3fjb s LEU 111 Ca -0.09 -0.49 -0.11 0.00 -1.03 0.00 0.00 54.13 52.41 3fjb s LEU 111 Cb -0.00 -1.30 0.05 0.00 0.03 0.00 0.00 46.19 44.96 3fjb s LEU 111 CO 0.05 0.30 1.12 -0.54 0.23 0.00 0.00 176.35 177.51 3fjb s LYS 112 N -0.75 2.41 0.45 1.70 1.02 0.14 -4.46 119.74 120.25 3fjb s LYS 112 Ca 0.10 0.23 0.12 0.00 0.02 0.00 0.00 55.97 56.45 3fjb s LYS 112 Cb -0.10 -2.01 1.01 0.00 -0.52 0.00 0.00 37.83 36.21 3fjb s LYS 112 CO -0.00 -1.29 2.03 0.87 -0.92 0.00 0.00 175.35 176.04 3fjb h LYS 113 N -0.81 0.15 -0.04 1.68 1.57 -1.93 -0.75 116.57 116.43 3fjb h LYS 113 Ca -0.45 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 3fjb h LYS 113 Cb 1.29 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.58 3fjb h LYS 113 CO 0.64 0.20 0.00 0.27 -0.57 0.00 0.00 179.45 180.00 3fjb n ASN 114 N -4.41 0.37 0.00 0.86 0.23 -1.26 -4.58 115.26 106.47 3fjb n ASN 114 Ca -0.01 -1.57 0.00 0.00 -0.53 0.00 0.00 54.58 52.47 3fjb n ASN 114 Cb 0.17 -0.03 0.00 0.00 -2.08 0.00 0.00 39.78 37.84 3fjb n ASN 114 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3fjb n GLY 115 N 0.82 0.82 3.85 4.83 0.00 -0.29 -4.98 105.19 110.24 3fjb n GLY 115 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 3fjb n GLY 115 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fjb s SER 116 N -2.93 6.78 0.63 1.61 1.04 -1.26 0.19 113.70 119.76 3fjb s SER 116 Ca 0.00 1.19 -0.16 0.00 0.48 0.00 0.00 55.95 57.46 3fjb s SER 116 Cb 0.00 -2.33 -0.02 0.00 0.10 0.00 0.00 66.02 63.77 3fjb s SER 116 CO 0.00 -0.11 1.11 0.00 0.98 0.00 0.00 173.24 175.22 3fjb s LYS 118 N -3.92 3.62 0.06 0.00 2.20 0.12 -4.66 119.74 117.15 3fjb s LYS 118 Ca 0.68 -0.06 -0.23 0.00 -0.36 0.00 0.00 55.97 56.00 3fjb s LYS 118 Cb -0.21 -2.71 -0.06 0.00 -1.51 0.00 0.00 37.83 33.34 3fjb s LYS 118 CO 0.38 0.29 0.70 1.03 -0.36 0.00 0.00 175.35 177.39 3fjb s ARG 119 N -3.34 4.43 0.21 4.03 0.52 -1.26 -4.64 118.95 118.90 3fjb s ARG 119 Ca 0.43 0.96 -0.19 0.00 -0.52 0.00 0.00 55.73 56.40 3fjb s ARG 119 Cb -0.11 -3.33 0.18 0.00 0.52 0.00 0.00 34.95 32.22 3fjb s ARG 119 CO 0.28 0.40 1.57 0.78 0.02 0.00 0.00 175.30 178.35 3fjb h GLY 120 N 5.29 -0.02 1.70 -3.53 0.00 -0.10 0.13 103.07 106.54 3fjb h GLY 120 Ca -0.45 0.48 0.00 0.00 0.00 0.00 0.00 47.33 47.36 3fjb h GLY 120 CO 0.69 -0.20 0.14 -2.55 0.00 0.00 0.00 176.54 174.61 3fjb h PRO 121 N -0.08 0.00 -0.47 4.80 0.11 -1.82 -0.08 132.00 134.46 3fjb h PRO 121 Ca 0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.40 3fjb h PRO 121 Cb 0.57 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.68 3fjb h PRO 121 CO -0.83 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 177.50 3fjb n ARG 122 N -2.74 2.51 -4.02 1.05 5.12 0.44 -4.94 116.66 114.08 3fjb n ARG 122 Ca -0.02 -2.30 -0.22 0.00 -1.93 0.00 0.00 57.85 53.38 3fjb n ARG 122 Cb 0.19 -1.52 -0.03 0.00 -1.16 0.00 0.00 32.46 29.94 3fjb n ARG 122 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3fjb s THR 123 N -1.38 4.98 -0.17 0.55 -4.23 -0.04 -4.92 115.64 110.43 3fjb s THR 123 Ca 0.41 -1.09 -0.33 0.00 -1.18 0.00 0.00 61.69 59.50 3fjb s THR 123 Cb 0.23 -3.68 0.14 0.00 1.34 0.00 0.00 72.50 70.53 3fjb s THR 123 CO 0.32 -0.30 1.16 -1.38 -0.54 0.00 0.00 174.62 173.88 3fjb s HIS 124 N -1.99 -0.18 0.49 3.99 -3.43 -1.26 -4.83 115.29 108.09 3fjb s HIS 124 Ca 0.34 0.15 -0.22 0.00 -0.80 0.00 0.00 55.06 54.53 3fjb s HIS 124 Cb -0.09 0.51 -0.09 0.00 -1.43 0.00 0.00 32.58 31.48 3fjb s HIS 124 CO 0.27 -0.25 0.93 0.66 -2.00 0.00 0.00 174.74 174.36 3fjb n TYR 125 N 0.02 0.83 0.00 0.38 4.01 -1.26 -2.73 117.16 118.41 3fjb n TYR 125 Ca -0.02 0.51 0.00 0.00 -0.16 0.00 0.00 57.90 58.23 3fjb n TYR 125 Cb 0.59 -2.17 0.00 0.00 -0.31 0.00 0.00 39.34 37.45 3fjb n TYR 125 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3fjb n GLY 126 N 1.29 2.37 3.86 2.72 0.00 -1.26 -5.06 105.19 109.10 3fjb n GLY 126 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 3fjb n GLY 126 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3fjb s GLN 127 N -0.97 3.91 0.27 1.61 -0.21 -1.11 -4.97 119.66 118.20 3fjb s GLN 127 Ca 0.00 0.71 0.16 0.00 0.02 0.00 0.00 55.36 56.25 3fjb s GLN 127 Cb 0.00 -2.31 0.07 0.00 1.00 0.00 0.00 33.01 31.78 3fjb s GLN 127 CO 0.00 -0.06 1.40 0.87 -2.12 0.00 0.00 175.29 175.38 3fjb h LYS 128 N 1.42 0.00 0.00 2.91 1.79 -1.97 -3.30 116.57 117.42 3fjb h LYS 128 Ca -0.47 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 57.97 3fjb h LYS 128 Cb 1.18 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.83 3fjb h LYS 128 CO 0.63 0.43 -0.11 0.00 -1.08 0.00 0.00 179.45 179.32 3fjb h ALA 129 N 1.55 1.51 -0.01 3.86 0.00 -1.94 -2.47 119.26 121.76 3fjb h ALA 129 Ca -0.02 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3fjb h ALA 129 Cb 1.36 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.13 3fjb h ALA 129 CO 0.06 0.14 -0.07 0.44 0.00 0.00 0.00 179.25 179.81 3fjb n ILE 130 N -3.96 0.00 -3.12 0.00 -5.35 -1.24 -1.93 119.36 103.75 3fjb n ILE 130 Ca -0.02 -0.25 -0.41 0.00 -0.27 0.00 0.00 62.75 61.80 3fjb n ILE 130 Cb 0.20 0.59 -0.07 0.00 -1.74 0.00 0.00 39.64 38.63 3fjb n ILE 130 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3fjb s LEU 131 N -2.12 4.13 0.20 7.28 1.43 -0.93 -4.39 118.68 124.27 3fjb s LEU 131 Ca 0.33 0.47 0.11 0.00 -1.03 0.00 0.00 54.13 54.02 3fjb s LEU 131 Cb 0.20 -2.81 -0.04 0.00 0.03 0.00 0.00 46.19 43.57 3fjb s LEU 131 CO 0.38 -0.45 -0.23 -0.36 0.23 0.00 0.00 176.35 175.92 3fjb s PHE 132 N 2.57 2.32 -0.10 0.29 0.40 -0.03 -1.77 117.98 121.66 3fjb s PHE 132 Ca 0.25 -0.35 0.01 0.00 -0.60 0.00 0.00 56.93 56.24 3fjb s PHE 132 Cb -0.15 -1.14 0.02 0.00 0.51 0.00 0.00 43.02 42.26 3fjb s PHE 132 CO 0.11 0.51 -0.11 -1.17 0.70 0.00 0.00 175.22 175.27 3fjb s LEU 133 N -2.72 1.45 -0.58 -0.37 2.96 0.17 -0.33 118.68 119.26 3fjb s LEU 133 Ca 0.21 -0.33 -0.26 0.00 -0.22 0.00 0.00 54.13 53.54 3fjb s LEU 133 Cb -0.08 -0.89 0.04 0.00 0.50 0.00 0.00 46.19 45.76 3fjb s LEU 133 CO 0.10 -0.04 1.07 -2.16 -1.32 0.00 0.00 176.35 174.00 3fjb s PRO 134 N 1.23 3.40 -0.01 0.98 0.04 -1.26 -0.81 135.00 138.56 3fjb s PRO 134 Ca -0.03 -0.05 -0.03 0.00 0.04 0.00 0.00 61.00 60.93 3fjb s PRO 134 Cb -0.14 -4.05 -0.04 0.00 0.04 0.00 0.00 34.50 30.31 3fjb s PRO 134 CO -0.03 -1.61 0.18 -0.51 0.04 0.00 0.00 177.00 175.07 3fjb s LEU 135 N 4.48 4.37 0.63 -3.56 1.43 0.34 -4.89 118.68 121.48 3fjb s LEU 135 Ca 0.36 0.35 -0.17 0.00 -1.03 0.00 0.00 54.13 53.64 3fjb s LEU 135 Cb -0.10 -2.61 -0.02 0.00 0.03 0.00 0.00 46.19 43.49 3fjb s LEU 135 CO 0.21 0.26 1.16 -2.16 0.23 0.00 0.00 176.35 176.06 3fjb s PRO 136 N -1.93 2.86 0.00 1.29 0.04 -1.26 0.26 135.00 136.26 3fjb s PRO 136 Ca 0.27 1.64 0.25 0.00 0.04 0.00 0.00 61.00 63.20 3fjb s PRO 136 Cb -0.13 -1.94 1.52 0.00 0.04 0.00 0.00 34.50 33.99 3fjb s PRO 136 CO 0.19 -1.25 1.87 1.33 0.04 0.00 0.00 177.00 179.18