#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fcb h PRO 11 N 0.00 0.00 -3.61 0.00 0.13 -1.84 -3.44 132.00 123.24 3fcb h PRO 11 Ca 0.00 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.76 3fcb h PRO 11 Cb 0.00 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 30.77 3fcb h PRO 11 CO 0.00 0.00 -0.75 -1.17 -0.23 0.00 0.00 178.00 175.85 3fcb s LEU 12 N -5.42 0.79 0.03 1.56 2.96 -1.26 -0.45 118.68 116.89 3fcb s LEU 12 Ca 0.06 -0.01 0.04 0.00 -0.22 0.00 0.00 54.13 53.99 3fcb s LEU 12 Cb 0.09 -0.25 -0.02 0.00 0.50 0.00 0.00 46.19 46.51 3fcb s LEU 12 CO 0.56 -0.16 -0.12 -0.32 -1.32 0.00 0.00 176.35 175.00 3fcb s MET 13 N 1.51 0.79 -0.06 1.98 -2.45 0.18 -4.40 119.30 116.85 3fcb s MET 13 Ca -0.03 -0.65 0.04 0.00 -1.25 0.00 0.00 55.69 53.80 3fcb s MET 13 Cb -0.13 -0.75 -0.00 0.00 1.25 0.00 0.00 34.83 35.20 3fcb s MET 13 CO -0.03 0.18 -0.19 0.08 1.05 0.00 0.00 175.02 176.11 3fcb s VAL 14 N -0.80 1.63 -0.05 10.11 1.01 -0.91 -0.93 120.40 130.45 3fcb s VAL 14 Ca -0.00 -0.80 0.03 0.00 0.00 0.00 0.00 61.98 61.20 3fcb s VAL 14 Cb -0.07 -1.40 0.01 0.00 0.00 0.00 0.00 36.38 34.91 3fcb s VAL 14 CO 0.01 0.46 -0.14 -0.75 0.00 0.00 0.00 175.10 174.68 3fcb s LYS 15 N 0.16 1.64 -0.07 2.72 2.20 0.00 -0.65 119.74 125.75 3fcb s LYS 15 Ca -0.08 -0.47 0.03 0.00 -0.36 0.00 0.00 55.97 55.08 3fcb s LYS 15 Cb -0.14 -1.39 0.01 0.00 -1.51 0.00 0.00 37.83 34.80 3fcb s LYS 15 CO 0.04 0.11 -0.15 0.08 -0.36 0.00 0.00 175.35 175.08 3fcb s VAL 16 N 0.38 1.31 0.14 4.02 1.01 0.32 -1.01 120.40 126.57 3fcb s VAL 16 Ca -0.09 -0.59 0.10 0.00 0.00 0.00 0.00 61.98 61.40 3fcb s VAL 16 Cb -0.13 -1.17 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 3fcb s VAL 16 CO 0.03 0.39 -0.25 -0.76 0.00 0.00 0.00 175.10 174.52 3fcb s LEU 17 N 0.54 2.35 -0.28 3.92 1.43 0.14 -0.70 118.68 126.08 3fcb s LEU 17 Ca -0.14 -0.77 -0.07 0.00 -1.03 0.00 0.00 54.13 52.12 3fcb s LEU 17 Cb -0.16 -1.12 0.00 0.00 0.03 0.00 0.00 46.19 44.95 3fcb s LEU 17 CO 0.04 0.13 0.07 -0.62 0.23 0.00 0.00 176.35 176.20 3fcb s ASP 18 N -2.22 5.09 0.00 2.29 -1.08 0.12 -0.71 116.67 120.15 3fcb s ASP 18 Ca 0.14 -0.59 0.28 0.00 -0.52 0.00 0.00 52.55 51.86 3fcb s ASP 18 Cb -0.09 -1.88 0.99 0.00 -1.46 0.00 0.00 42.92 40.48 3fcb s ASP 18 CO 0.07 -0.15 1.75 0.00 0.52 0.00 0.00 175.17 177.36 3fcb n ALA 19 N 4.88 2.77 -0.03 3.66 0.00 0.04 -1.27 120.51 130.56 3fcb n ALA 19 Ca -0.15 -0.20 -0.22 0.00 0.00 0.00 0.00 53.44 52.88 3fcb n ALA 19 Cb 0.49 -1.34 -0.13 0.00 0.00 0.00 0.00 19.45 18.46 3fcb n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3fcb h VAL 20 N 0.03 0.77 0.00 0.00 2.07 -1.94 -3.39 116.25 113.79 3fcb h VAL 20 Ca 0.00 -2.30 0.00 0.00 0.82 0.00 0.00 66.70 65.22 3fcb h VAL 20 Cb 0.49 2.45 0.00 0.00 -1.52 0.00 0.00 31.29 32.71 3fcb h VAL 20 CO 0.00 0.69 -1.08 0.54 0.02 0.00 0.00 177.57 177.74 3fcb n ARG 21 N -3.84 0.44 -2.97 1.57 1.74 -1.25 -5.00 116.66 107.36 3fcb n ARG 21 Ca -0.31 0.03 -0.12 0.00 -0.77 0.00 0.00 57.85 56.68 3fcb n ARG 21 Cb 0.92 -1.67 0.06 0.00 -1.02 0.00 0.00 32.46 30.75 3fcb n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3fcb n GLY 22 N 1.29 -0.37 3.50 -0.13 0.00 -0.40 -5.04 105.19 104.03 3fcb n GLY 22 Ca 0.01 0.14 -0.09 0.00 0.00 0.00 0.00 46.02 46.07 3fcb n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fcb s SER 23 N -3.71 -0.18 0.70 1.61 1.04 -1.02 -5.00 113.70 107.14 3fcb s SER 23 Ca 0.15 -0.61 -0.16 0.00 0.48 0.00 0.00 55.95 55.80 3fcb s SER 23 Cb -0.02 0.55 0.02 0.00 0.10 0.00 0.00 66.02 66.67 3fcb s SER 23 CO 0.55 -1.04 1.24 -2.16 0.98 0.00 0.00 173.24 172.82 3fcb s PRO 24 N -3.91 2.29 -0.51 4.02 0.04 -1.26 0.11 135.00 135.78 3fcb s PRO 24 Ca 0.12 1.89 -0.19 0.00 0.04 0.00 0.00 61.00 62.86 3fcb s PRO 24 Cb -0.00 -1.84 0.06 0.00 0.04 0.00 0.00 34.50 32.76 3fcb s PRO 24 CO -0.01 -1.75 0.63 0.00 0.04 0.00 0.00 177.00 175.92 3fcb s ALA 25 N -1.74 3.38 0.07 8.56 0.00 0.12 -4.53 121.76 127.62 3fcb s ALA 25 Ca 0.78 -1.74 -0.09 0.00 0.00 0.00 0.00 51.96 50.90 3fcb s ALA 25 Cb -0.32 -3.36 -0.06 0.00 0.00 0.00 0.00 23.12 19.38 3fcb s ALA 25 CO 0.43 -2.02 0.39 0.42 0.00 0.00 0.00 175.76 174.97 3fcb s ILE 26 N 2.66 5.11 -1.14 0.00 1.01 -1.26 -4.33 121.20 123.25 3fcb s ILE 26 Ca 0.15 0.42 0.00 0.00 0.00 0.00 0.00 60.65 61.23 3fcb s ILE 26 Cb -0.19 -3.64 0.00 0.00 0.01 0.00 0.00 42.46 38.64 3fcb s ILE 26 CO 0.12 0.30 0.00 -3.20 0.00 0.00 0.00 174.94 172.16 3fcb n ASN 27 N 0.93 -4.10 -4.71 3.58 5.15 -0.60 -4.95 115.26 110.56 3fcb n ASN 27 Ca -0.08 0.04 -0.40 0.00 -0.60 0.00 0.00 54.58 53.54 3fcb n ASN 27 Cb 0.52 -3.20 -0.05 0.00 -0.53 0.00 0.00 39.78 36.52 3fcb n ASN 27 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3fcb s VAL 28 N -2.61 5.04 0.18 3.44 1.01 -1.26 -4.76 120.40 121.44 3fcb s VAL 28 Ca 0.00 1.40 -0.30 0.00 0.00 0.00 0.00 61.98 63.08 3fcb s VAL 28 Cb 0.00 -4.02 -0.08 0.00 0.00 0.00 0.00 36.38 32.28 3fcb s VAL 28 CO 0.00 0.23 1.12 0.00 0.00 0.00 0.00 175.10 176.44 3fcb s ALA 29 N 1.00 3.38 -0.07 5.51 0.00 -1.26 -0.77 121.76 129.56 3fcb s ALA 29 Ca 0.36 0.84 0.01 0.00 0.00 0.00 0.00 51.96 53.17 3fcb s ALA 29 Cb -0.17 -3.36 0.02 0.00 0.00 0.00 0.00 23.12 19.60 3fcb s ALA 29 CO 0.16 -0.24 -0.09 0.08 0.00 0.00 0.00 175.76 175.67 3fcb s VAL 30 N -0.22 0.94 -0.10 0.00 1.01 0.10 -0.67 120.40 121.46 3fcb s VAL 30 Ca 0.50 -0.32 0.03 0.00 0.00 0.00 0.00 61.98 62.19 3fcb s VAL 30 Cb -0.30 -0.91 -0.00 0.00 0.00 0.00 0.00 36.38 35.16 3fcb s VAL 30 CO 0.35 0.33 -0.22 -1.00 0.00 0.00 0.00 175.10 174.56 3fcb s HIS 31 N 1.08 2.60 -0.08 5.22 3.76 -0.13 -1.42 115.29 126.31 3fcb s HIS 31 Ca -0.07 -0.92 0.01 0.00 -0.15 0.00 0.00 55.06 53.93 3fcb s HIS 31 Cb -0.14 -1.73 -0.03 0.00 1.11 0.00 0.00 32.58 31.79 3fcb s HIS 31 CO -0.01 -0.35 -0.09 0.08 -0.85 0.00 0.00 174.74 173.53 3fcb s VAL 32 N 0.27 3.50 0.11 -0.90 1.01 0.19 0.31 120.40 124.90 3fcb s VAL 32 Ca -0.15 -0.54 0.06 0.00 0.00 0.00 0.00 61.98 61.34 3fcb s VAL 32 Cb -0.17 -2.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.74 3fcb s VAL 32 CO 0.08 0.58 -0.14 -0.36 0.00 0.00 0.00 175.10 175.25 3fcb s PHE 33 N -0.52 1.38 -0.07 5.22 0.40 0.41 -0.56 117.98 124.24 3fcb s PHE 33 Ca 0.08 -0.52 0.05 0.00 -0.60 0.00 0.00 56.93 55.93 3fcb s PHE 33 Cb -0.12 -0.74 -0.01 0.00 0.51 0.00 0.00 43.02 42.67 3fcb s PHE 33 CO 0.02 0.13 -0.23 0.50 0.70 0.00 0.00 175.22 176.34 3fcb s ARG 34 N -2.39 2.53 0.06 0.44 3.52 0.01 -1.16 118.95 121.96 3fcb s ARG 34 Ca 0.06 -0.83 -0.31 0.00 -0.13 0.00 0.00 55.73 54.53 3fcb s ARG 34 Cb -0.06 -2.07 -0.08 0.00 -1.56 0.00 0.00 34.95 31.17 3fcb s ARG 34 CO 0.03 0.28 1.69 0.15 -0.81 0.00 0.00 175.30 176.64 3fcb s LYS 35 N 0.06 4.19 0.62 5.12 -0.14 -0.01 -1.96 119.74 127.62 3fcb s LYS 35 Ca -0.09 2.36 -0.01 0.00 -1.36 0.00 0.00 55.97 56.87 3fcb s LYS 35 Cb -0.15 -3.68 0.05 0.00 -1.68 0.00 0.00 37.83 32.38 3fcb s LYS 35 CO 0.05 -0.77 0.87 0.00 -0.76 0.00 0.00 175.35 174.74 3fcb s ALA 36 N 2.93 3.65 0.27 5.17 0.00 0.19 -4.76 121.76 129.20 3fcb s ALA 36 Ca 0.75 -1.26 -0.01 0.00 0.00 0.00 0.00 51.96 51.44 3fcb s ALA 36 Cb -0.40 -2.22 0.47 0.00 0.00 0.00 0.00 23.12 20.96 3fcb s ALA 36 CO 0.33 -1.01 1.85 0.00 0.00 0.00 0.00 175.76 176.93 3fcb h ALA 37 N -0.21 1.41 0.00 0.00 0.00 -1.95 0.00 119.26 118.52 3fcb h ALA 37 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3fcb h ALA 37 Cb 1.30 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3fcb h ALA 37 CO 0.53 0.30 0.00 -0.40 0.00 0.00 0.00 179.25 179.68 3fcb n ASP 38 N -4.59 0.00 0.00 0.00 3.85 -1.26 -4.87 116.55 109.68 3fcb n ASP 38 Ca 0.17 -1.64 0.00 0.00 -0.71 0.00 0.00 54.79 52.60 3fcb n ASP 38 Cb 0.27 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.04 3fcb n ASP 38 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.20 176.66 3fcb n ASP 39 N -0.63 -2.76 -4.88 -1.12 10.43 -0.01 -5.03 116.55 112.55 3fcb n ASP 39 Ca 0.06 0.00 -0.30 0.00 2.57 0.00 0.00 54.79 57.12 3fcb n ASP 39 Cb 0.03 -1.06 -0.02 0.00 1.84 0.00 0.00 41.12 41.91 3fcb n ASP 39 CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 3fcb s THR 40 N -2.15 4.76 -0.34 -3.53 -4.23 -1.26 -4.76 115.64 104.13 3fcb s THR 40 Ca 0.00 0.66 -0.19 0.00 -1.18 0.00 0.00 61.69 60.98 3fcb s THR 40 Cb 0.00 -3.79 -0.01 0.00 1.34 0.00 0.00 72.50 70.04 3fcb s THR 40 CO 0.00 -0.76 0.55 0.26 -0.54 0.00 0.00 174.62 174.13 3fcb s TRP 41 N -2.67 3.18 -0.18 3.99 0.52 -1.26 -0.64 118.94 121.88 3fcb s TRP 41 Ca 0.52 0.30 -0.09 0.00 0.02 0.00 0.00 56.10 56.85 3fcb s TRP 41 Cb -0.10 -2.96 -0.05 0.00 -1.15 0.00 0.00 33.47 29.21 3fcb s TRP 41 CO 0.39 -0.53 0.12 -1.21 0.02 0.00 0.00 176.95 175.75 3fcb s GLU 42 N 2.47 4.01 0.29 4.98 2.02 -0.83 -4.90 118.70 126.74 3fcb s GLU 42 Ca 0.21 -0.23 -0.29 0.00 0.02 0.00 0.00 54.97 54.68 3fcb s GLU 42 Cb -0.15 -3.34 -0.14 0.00 0.10 0.00 0.00 34.13 30.60 3fcb s GLU 42 CO 0.13 0.38 1.11 -2.30 0.02 0.00 0.00 175.26 174.61 3fcb n PRO 43 N 3.24 1.55 0.00 0.39 -0.02 -1.26 -0.81 135.00 138.09 3fcb n PRO 43 Ca -0.17 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 3fcb n PRO 43 Cb 0.53 -1.99 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 3fcb n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3fcb n PHE 44 N 0.47 0.00 -3.48 6.00 7.35 0.28 -4.73 117.46 123.35 3fcb n PHE 44 Ca 0.09 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.66 3fcb n PHE 44 Cb 0.32 0.09 -0.03 0.00 0.35 0.00 0.00 39.48 40.21 3fcb n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3fcb s ALA 45 N -1.99 -1.74 0.23 3.13 0.00 -0.95 -5.01 121.76 115.43 3fcb s ALA 45 Ca 0.00 0.92 -0.22 0.00 0.00 0.00 0.00 51.96 52.66 3fcb s ALA 45 Cb 0.00 0.41 0.04 0.00 0.00 0.00 0.00 23.12 23.57 3fcb s ALA 45 CO 0.00 -0.63 0.79 -1.54 0.00 0.00 0.00 175.76 174.38 3fcb s SER 46 N -2.23 -0.25 0.00 0.00 1.04 -1.26 0.55 113.70 111.55 3fcb s SER 46 Ca 0.00 -0.51 0.00 0.00 0.48 0.00 0.00 55.95 55.92 3fcb s SER 46 Cb -0.01 0.65 0.00 0.00 0.10 0.00 0.00 66.02 66.76 3fcb s SER 46 CO -0.06 -1.19 0.00 0.61 0.98 0.00 0.00 173.24 173.58 3fcb n GLY 47 N -0.46 -1.18 3.21 7.32 0.00 -0.51 -4.99 105.19 108.59 3fcb n GLY 47 Ca -0.05 -0.80 -0.27 0.00 0.00 0.00 0.00 46.02 44.90 3fcb n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fcb s LYS 48 N -0.10 1.72 0.50 1.61 -0.14 -1.26 -0.72 119.74 121.35 3fcb s LYS 48 Ca 0.00 -0.72 -0.23 0.00 -1.36 0.00 0.00 55.97 53.65 3fcb s LYS 48 Cb 0.00 -1.62 -0.06 0.00 -1.68 0.00 0.00 37.83 34.46 3fcb s LYS 48 CO 0.00 0.41 1.38 0.95 -0.76 0.00 0.00 175.35 177.34 3fcb s THR 49 N -0.40 2.09 0.87 2.17 -4.23 0.06 -4.80 115.64 111.40 3fcb s THR 49 Ca 0.06 0.07 -0.15 0.00 -1.18 0.00 0.00 61.69 60.50 3fcb s THR 49 Cb -0.09 -3.04 0.21 0.00 1.34 0.00 0.00 72.50 70.92 3fcb s THR 49 CO -0.00 0.00 1.03 -1.54 -0.54 0.00 0.00 174.62 173.57 3fcb n SER 50 N -0.67 -0.55 0.33 3.99 3.41 0.39 -1.56 113.62 118.97 3fcb n SER 50 Ca 0.08 -1.28 0.21 0.00 -0.26 0.00 0.00 58.87 57.62 3fcb n SER 50 Cb 0.44 -0.83 1.14 0.00 -0.26 0.00 0.00 64.21 64.69 3fcb n SER 50 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 3fcb h GLU 51 N 0.00 0.00 -0.10 4.33 4.11 -1.94 -0.20 114.58 120.78 3fcb h GLU 51 Ca -0.35 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.08 3fcb h GLU 51 Cb 0.99 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.24 3fcb h GLU 51 CO 0.24 0.00 0.00 -1.13 0.07 0.00 0.00 179.01 178.19 3fcb n SER 52 N -3.26 1.84 0.00 3.06 3.41 -1.26 -4.79 113.62 112.62 3fcb n SER 52 Ca -0.03 -1.66 0.00 0.00 -0.26 0.00 0.00 58.87 56.92 3fcb n SER 52 Cb 0.09 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 3fcb n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fcb n GLY 53 N 1.20 0.54 3.75 5.00 0.00 -0.09 -4.78 105.19 110.81 3fcb n GLY 53 Ca 0.18 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 3fcb n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fcb s GLU 54 N -0.01 2.73 -0.21 1.61 2.02 -1.26 -0.53 118.70 123.05 3fcb s GLU 54 Ca 0.00 -0.92 -0.02 0.00 0.02 0.00 0.00 54.97 54.04 3fcb s GLU 54 Cb 0.00 -2.56 0.07 0.00 0.10 0.00 0.00 34.13 31.73 3fcb s GLU 54 CO 0.00 0.49 0.04 -1.17 0.02 0.00 0.00 175.26 174.64 3fcb s LEU 55 N -2.95 1.33 0.36 1.80 2.96 0.18 -0.46 118.68 121.90 3fcb s LEU 55 Ca 0.29 -0.94 0.08 0.00 -0.22 0.00 0.00 54.13 53.34 3fcb s LEU 55 Cb -0.10 -0.64 -0.03 0.00 0.50 0.00 0.00 46.19 45.92 3fcb s LEU 55 CO 0.22 -0.32 0.26 -1.00 -1.32 0.00 0.00 176.35 174.19 3fcb s HIS 56 N 1.82 2.79 -0.68 5.38 3.76 -1.26 -2.15 115.29 124.95 3fcb s HIS 56 Ca 0.00 -0.38 0.00 0.00 -0.15 0.00 0.00 55.06 54.53 3fcb s HIS 56 Cb -0.17 -1.84 0.00 0.00 1.11 0.00 0.00 32.58 31.68 3fcb s HIS 56 CO -0.11 0.16 0.00 0.41 -0.85 0.00 0.00 174.74 174.36 3fcb n GLY 57 N -1.34 0.64 0.33 -2.22 0.00 -1.26 -4.93 105.19 96.42 3fcb n GLY 57 Ca -0.01 -0.70 -0.06 0.00 0.00 0.00 0.00 46.02 45.25 3fcb n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3fcb h LEU 58 N 0.00 1.09 -8.35 0.99 3.38 -1.85 -3.47 115.31 107.10 3fcb h LEU 58 Ca -0.15 -0.20 -0.19 0.00 0.09 0.00 0.00 57.88 57.44 3fcb h LEU 58 Cb 0.66 -0.29 -0.06 0.00 0.09 0.00 0.00 40.66 41.07 3fcb h LEU 58 CO 0.20 1.00 -0.05 0.28 0.09 0.00 0.00 178.44 179.97 3fcb s THR 59 N -5.44 0.00 0.28 0.22 -1.32 -1.26 -4.79 115.64 103.34 3fcb s THR 59 Ca -0.12 -1.41 0.11 0.00 -1.21 0.00 0.00 61.69 59.06 3fcb s THR 59 Cb 0.15 -2.68 -0.05 0.00 -1.51 0.00 0.00 72.50 68.41 3fcb s THR 59 CO 0.84 0.00 -0.17 0.42 -2.21 0.00 0.00 174.62 173.50 3fcb s THR 60 N -2.89 2.35 0.33 5.08 -4.23 -1.26 -4.55 115.64 110.46 3fcb s THR 60 Ca 0.26 -2.35 0.06 0.00 -1.18 0.00 0.00 61.69 58.47 3fcb s THR 60 Cb -0.02 -2.34 0.31 0.00 1.34 0.00 0.00 72.50 71.79 3fcb s THR 60 CO 0.17 -0.38 1.86 -0.08 -0.54 0.00 0.00 174.62 175.65 3fcb h GLU 61 N 2.26 0.79 -0.56 3.99 4.81 -1.98 -1.16 114.58 122.73 3fcb h GLU 61 Ca -0.40 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 58.72 3fcb h GLU 61 Cb 1.25 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 30.43 3fcb h GLU 61 CO 0.62 0.52 0.13 0.93 -0.73 0.00 0.00 179.01 180.49 3fcb h GLU 62 N 0.82 0.91 0.00 1.92 5.08 -2.04 -3.15 114.58 118.11 3fcb h GLU 62 Ca 0.46 -0.22 -0.10 0.00 -1.00 0.00 0.00 59.36 58.50 3fcb h GLU 62 Cb 0.61 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 3fcb h GLU 62 CO -0.23 0.85 -0.50 0.93 -1.00 0.00 0.00 179.01 179.06 3fcb h GLU 63 N 0.81 0.00 -3.08 2.33 4.39 -1.84 -3.39 114.58 113.79 3fcb h GLU 63 Ca 0.18 0.00 -0.75 0.00 0.34 0.00 0.00 59.36 59.13 3fcb h GLU 63 Cb 0.35 0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 28.87 3fcb h GLU 63 CO 0.00 0.45 2.26 0.34 -1.16 0.00 0.00 179.01 180.90 3fcb n PHE 64 N -3.20 2.75 -1.61 4.33 7.35 -0.48 -4.96 117.46 121.64 3fcb n PHE 64 Ca 0.02 -2.81 -0.30 0.00 -0.76 0.00 0.00 57.45 53.60 3fcb n PHE 64 Cb 0.72 -1.91 0.07 0.00 0.35 0.00 0.00 39.48 38.71 3fcb n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 3fcb s VAL 65 N -0.27 3.48 0.40 -2.13 -7.23 -1.26 -4.95 120.40 108.43 3fcb s VAL 65 Ca 0.47 0.48 -0.26 0.00 -1.81 0.00 0.00 61.98 60.86 3fcb s VAL 65 Cb 0.14 -3.27 -0.11 0.00 0.56 0.00 0.00 36.38 33.70 3fcb s VAL 65 CO -0.04 -0.63 1.13 -0.62 -0.31 0.00 0.00 175.10 174.63 3fcb n GLU 66 N -3.26 1.64 0.00 4.82 1.02 -1.26 -4.86 120.64 118.74 3fcb n GLU 66 Ca 0.07 0.58 0.00 0.00 -0.02 0.00 0.00 57.16 57.79 3fcb n GLU 66 Cb 0.55 -2.17 0.00 0.00 -0.02 0.00 0.00 31.44 29.81 3fcb n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3fcb n GLY 67 N 1.01 0.50 3.71 0.62 0.00 -1.16 -4.97 105.19 104.89 3fcb n GLY 67 Ca 0.08 -1.13 -0.36 0.00 0.00 0.00 0.00 46.02 44.61 3fcb n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fcb s ILE 68 N -2.00 5.36 0.08 -0.61 1.01 -1.26 -0.59 121.20 123.20 3fcb s ILE 68 Ca 0.00 0.31 0.10 0.00 0.00 0.00 0.00 60.65 61.06 3fcb s ILE 68 Cb 0.00 -3.53 -0.03 0.00 0.01 0.00 0.00 42.46 38.90 3fcb s ILE 68 CO 0.00 0.39 -0.27 -0.31 0.00 0.00 0.00 174.94 174.76 3fcb s TYR 69 N 0.61 2.31 -0.11 3.97 1.51 0.23 -0.83 117.35 125.04 3fcb s TYR 69 Ca 0.11 -0.40 0.03 0.00 -1.01 0.00 0.00 57.07 55.80 3fcb s TYR 69 Cb -0.12 -1.32 0.00 0.00 -0.11 0.00 0.00 41.96 40.41 3fcb s TYR 69 CO 0.01 0.22 -0.22 0.21 -1.11 0.00 0.00 175.55 174.67 3fcb s LYS 70 N -1.61 2.88 -0.25 -0.62 2.20 -0.31 -1.31 119.74 120.72 3fcb s LYS 70 Ca 0.13 -0.82 -0.06 0.00 -0.36 0.00 0.00 55.97 54.85 3fcb s LYS 70 Cb -0.10 -2.24 -0.02 0.00 -1.51 0.00 0.00 37.83 33.97 3fcb s LYS 70 CO 0.04 0.10 0.05 0.08 -0.36 0.00 0.00 175.35 175.26 3fcb s VAL 71 N 0.52 4.04 -0.21 4.02 1.01 0.27 -0.44 120.40 129.61 3fcb s VAL 71 Ca -0.15 -0.35 -0.05 0.00 0.00 0.00 0.00 61.98 61.42 3fcb s VAL 71 Cb -0.17 -2.92 -0.02 0.00 0.00 0.00 0.00 36.38 33.26 3fcb s VAL 71 CO 0.05 0.30 0.01 -1.61 0.00 0.00 0.00 175.10 173.85 3fcb s GLU 72 N 1.56 3.59 -0.25 2.72 2.02 0.15 -0.93 118.70 127.57 3fcb s GLU 72 Ca 0.05 -0.52 -0.08 0.00 0.02 0.00 0.00 54.97 54.44 3fcb s GLU 72 Cb -0.15 -3.12 -0.04 0.00 0.10 0.00 0.00 34.13 30.92 3fcb s GLU 72 CO 0.02 -0.06 0.10 0.42 0.02 0.00 0.00 175.26 175.76 3fcb s ILE 73 N 1.19 4.68 -1.37 -1.63 1.01 0.16 -0.96 121.20 124.29 3fcb s ILE 73 Ca 0.03 -0.05 -0.15 0.00 0.00 0.00 0.00 60.65 60.48 3fcb s ILE 73 Cb -0.14 -3.19 0.02 0.00 0.01 0.00 0.00 42.46 39.16 3fcb s ILE 73 CO 0.01 0.33 2.13 0.47 0.00 0.00 0.00 174.94 177.89 3fcb n ASP 74 N 4.75 3.88 0.07 3.58 10.43 0.15 -0.93 116.55 138.49 3fcb n ASP 74 Ca -0.16 -2.83 -0.03 0.00 2.57 0.00 0.00 54.79 54.34 3fcb n ASP 74 Cb 0.52 -1.62 0.21 0.00 1.84 0.00 0.00 41.12 42.06 3fcb n ASP 74 CO 0.00 0.00 0.00 0.71 -1.07 0.00 0.00 177.20 176.84 3fcb h THR 75 N 4.29 1.30 -0.07 -3.53 1.35 -1.87 -3.18 112.91 111.20 3fcb h THR 75 Ca 0.53 -1.48 0.00 0.00 -0.55 0.00 0.00 66.41 64.92 3fcb h THR 75 Cb 0.68 1.61 -0.00 0.00 -1.73 0.00 0.00 68.15 68.71 3fcb h THR 75 CO 1.83 0.45 0.04 0.50 -0.25 0.00 0.00 175.52 178.09 3fcb h LYS 76 N 0.27 0.09 -0.89 4.72 3.64 -1.70 -1.66 116.57 121.03 3fcb h LYS 76 Ca 0.03 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3fcb h LYS 76 Cb 0.80 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.56 3fcb h LYS 76 CO 0.06 0.08 0.54 0.77 -2.27 0.00 0.00 179.45 178.63 3fcb h SER 77 N 0.07 1.06 -0.05 4.20 0.02 -1.85 -0.79 113.55 116.21 3fcb h SER 77 Ca 0.02 -0.06 0.03 0.00 -0.84 0.00 0.00 61.79 60.95 3fcb h SER 77 Cb 0.01 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 62.25 3fcb h SER 77 CO -0.00 0.81 -0.17 0.22 -1.14 0.00 0.00 176.83 176.55 3fcb h TYR 78 N 1.22 -0.44 -0.30 3.45 3.20 -1.42 -1.94 116.97 120.75 3fcb h TYR 78 Ca 0.32 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 62.12 3fcb h TYR 78 Cb -0.06 0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.40 3fcb h TYR 78 CO 0.00 -0.24 -0.19 -1.49 -1.64 0.00 0.00 178.16 174.60 3fcb h TRP 79 N -0.25 0.60 -0.69 -3.82 4.06 -1.12 -3.09 115.95 111.65 3fcb h TRP 79 Ca 0.07 -0.12 -0.02 0.00 2.06 0.00 0.00 58.89 60.89 3fcb h TRP 79 Cb 0.35 -0.15 -0.03 0.00 -1.00 0.00 0.00 29.16 28.32 3fcb h TRP 79 CO -0.24 0.71 0.37 0.87 -3.56 0.00 0.00 178.44 176.58 3fcb h LYS 80 N 0.49 0.96 0.00 0.49 1.57 -0.91 -1.82 116.57 117.36 3fcb h LYS 80 Ca 0.08 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 3fcb h LYS 80 Cb 0.61 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.73 3fcb h LYS 80 CO 0.04 0.73 -0.03 0.00 -0.57 0.00 0.00 179.45 179.62 3fcb h ALA 81 N 1.18 1.86 -0.01 3.86 0.00 -1.28 -2.17 119.26 122.71 3fcb h ALA 81 Ca 0.24 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3fcb h ALA 81 Cb 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3fcb h ALA 81 CO -0.04 0.03 -0.33 1.28 0.00 0.00 0.00 179.25 180.19 3fcb n LEU 82 N -4.38 0.87 -0.25 0.00 4.77 -0.95 -4.97 117.00 112.10 3fcb n LEU 82 Ca -0.03 -0.19 -0.03 0.00 -0.03 0.00 0.00 56.01 55.74 3fcb n LEU 82 Cb 0.11 -0.16 -0.01 0.00 -2.33 0.00 0.00 43.42 41.04 3fcb n LEU 82 CO 0.33 0.17 -0.03 0.61 -1.33 0.00 0.00 177.39 177.15 3fcb n GLY 83 N 1.39 0.40 3.26 -0.72 0.00 -0.75 -5.04 105.19 103.73 3fcb n GLY 83 Ca 0.10 -0.86 -0.33 0.00 0.00 0.00 0.00 46.02 44.93 3fcb n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fcb s ILE 84 N -2.12 2.73 -0.05 -0.61 1.01 -0.82 -5.04 121.20 116.31 3fcb s ILE 84 Ca 0.00 -0.74 -0.29 0.00 0.00 0.00 0.00 60.65 59.62 3fcb s ILE 84 Cb 0.00 -2.17 -0.08 0.00 0.01 0.00 0.00 42.46 40.23 3fcb s ILE 84 CO 0.00 0.50 2.04 -0.44 0.00 0.00 0.00 174.94 177.05 3fcb s SER 85 N 0.93 6.13 0.36 3.58 0.01 -1.26 -4.20 113.70 119.25 3fcb s SER 85 Ca -0.03 2.40 0.04 0.00 1.31 0.00 0.00 55.95 59.67 3fcb s SER 85 Cb -0.15 -2.52 -0.01 0.00 0.21 0.00 0.00 66.02 63.54 3fcb s SER 85 CO -0.02 -1.35 0.53 -2.16 0.41 0.00 0.00 173.24 170.66 3fcb s PRO 86 N 5.07 3.19 -0.22 12.44 0.04 -1.26 -4.80 135.00 149.46 3fcb s PRO 86 Ca 0.92 -0.72 -0.17 0.00 0.04 0.00 0.00 61.00 61.07 3fcb s PRO 86 Cb -0.39 -2.72 -0.18 0.00 0.04 0.00 0.00 34.50 31.24 3fcb s PRO 86 CO 0.39 0.01 0.07 0.34 0.04 0.00 0.00 177.00 177.85 3fcb n PHE 87 N -1.77 0.75 -3.15 0.56 7.35 0.26 -5.00 117.46 116.46 3fcb n PHE 87 Ca -0.01 0.29 -0.34 0.00 -0.76 0.00 0.00 57.45 56.63 3fcb n PHE 87 Cb 0.58 -1.08 -0.06 0.00 0.35 0.00 0.00 39.48 39.27 3fcb n PHE 87 CO 0.00 0.00 0.00 -1.01 -0.76 0.00 0.00 176.76 174.99 3fcb s HIS 88 N -2.43 3.47 0.16 -5.13 3.76 -1.26 -4.98 115.29 108.88 3fcb s HIS 88 Ca -0.31 1.24 -0.11 0.00 -0.15 0.00 0.00 55.06 55.74 3fcb s HIS 88 Cb 0.08 -2.54 0.02 0.00 1.11 0.00 0.00 32.58 31.26 3fcb s HIS 88 CO 0.59 0.19 1.58 0.93 -0.85 0.00 0.00 174.74 177.18 3fcb h GLU 89 N 2.67 0.97 -2.45 1.40 4.39 -1.97 -3.35 114.58 116.23 3fcb h GLU 89 Ca -0.48 -0.36 0.16 0.00 0.34 0.00 0.00 59.36 59.02 3fcb h GLU 89 Cb 1.18 -0.06 -0.06 0.00 -0.10 0.00 0.00 28.75 29.71 3fcb h GLU 89 CO 0.66 1.03 0.49 -3.38 -1.16 0.00 0.00 179.01 176.65 3fcb s HIS 90 N -4.86 -0.06 -0.12 4.33 -3.43 -1.26 -3.52 115.29 106.37 3fcb s HIS 90 Ca -0.12 -0.31 -0.03 0.00 -0.80 0.00 0.00 55.06 53.80 3fcb s HIS 90 Cb 0.12 0.67 -0.03 0.00 -1.43 0.00 0.00 32.58 31.91 3fcb s HIS 90 CO 0.85 -0.92 0.00 0.00 -2.00 0.00 0.00 174.74 172.68 3fcb s ALA 91 N -2.91 3.23 -0.02 -1.38 0.00 -0.10 -4.88 121.76 115.69 3fcb s ALA 91 Ca 0.15 -0.80 0.06 0.00 0.00 0.00 0.00 51.96 51.37 3fcb s ALA 91 Cb -0.02 -1.57 -0.01 0.00 0.00 0.00 0.00 23.12 21.52 3fcb s ALA 91 CO 0.04 0.42 -0.19 -1.21 0.00 0.00 0.00 175.76 174.82 3fcb s GLU 92 N -0.34 1.67 -0.13 0.00 8.01 -1.26 0.38 118.70 127.03 3fcb s GLU 92 Ca 0.07 -0.69 -0.01 0.00 0.01 0.00 0.00 54.97 54.35 3fcb s GLU 92 Cb -0.12 -1.56 0.03 0.00 -4.31 0.00 0.00 34.13 28.16 3fcb s GLU 92 CO 0.02 0.38 -0.06 0.08 0.01 0.00 0.00 175.26 175.69 3fcb s VAL 93 N -0.34 1.00 -0.13 2.63 1.01 -0.10 -4.97 120.40 119.50 3fcb s VAL 93 Ca 0.05 -0.36 0.03 0.00 0.00 0.00 0.00 61.98 61.69 3fcb s VAL 93 Cb -0.09 -1.08 0.01 0.00 0.00 0.00 0.00 36.38 35.22 3fcb s VAL 93 CO 0.00 0.28 -0.22 -0.69 0.00 0.00 0.00 175.10 174.47 3fcb s VAL 94 N 1.71 2.06 0.05 2.92 1.01 -1.26 -0.56 120.40 126.32 3fcb s VAL 94 Ca 0.04 -0.99 -0.16 0.00 0.00 0.00 0.00 61.98 60.87 3fcb s VAL 94 Cb -0.13 -1.81 0.03 0.00 0.00 0.00 0.00 36.38 34.47 3fcb s VAL 94 CO -0.08 0.55 0.37 0.72 0.00 0.00 0.00 175.10 176.66 3fcb s PHE 95 N 0.70 -0.20 -0.22 5.22 -0.71 -0.43 -5.00 117.98 117.35 3fcb s PHE 95 Ca -0.10 0.10 -0.17 0.00 -1.04 0.00 0.00 56.93 55.72 3fcb s PHE 95 Cb -0.16 0.18 -0.03 0.00 -1.21 0.00 0.00 43.02 41.79 3fcb s PHE 95 CO 0.01 -0.56 0.46 0.99 -1.34 0.00 0.00 175.22 174.77 3fcb s THR 96 N -2.64 5.14 -0.03 -4.49 2.01 -1.26 -0.60 115.64 113.76 3fcb s THR 96 Ca -0.04 0.80 -0.27 0.00 0.31 0.00 0.00 61.69 62.48 3fcb s THR 96 Cb -0.00 -3.78 -0.03 0.00 0.01 0.00 0.00 72.50 68.69 3fcb s THR 96 CO -0.04 0.18 0.86 0.00 -0.69 0.00 0.00 174.62 174.94 3fcb s ALA 97 N 1.73 3.23 -0.02 7.40 0.00 0.25 -4.95 121.76 129.40 3fcb s ALA 97 Ca 0.20 0.37 0.03 0.00 0.00 0.00 0.00 51.96 52.57 3fcb s ALA 97 Cb -0.15 -3.18 -0.00 0.00 0.00 0.00 0.00 23.12 19.79 3fcb s ALA 97 CO 0.09 -0.17 -0.11 0.54 0.00 0.00 0.00 175.76 176.11 3fcb s ASN 98 N 0.90 1.36 0.18 0.00 4.22 -1.26 -3.01 114.94 117.32 3fcb s ASN 98 Ca 0.46 -0.21 0.26 0.00 -2.14 0.00 0.00 52.86 51.23 3fcb s ASN 98 Cb -0.20 -0.27 0.90 0.00 1.28 0.00 0.00 41.25 42.96 3fcb s ASN 98 CO 0.24 0.11 1.78 0.47 -2.04 0.00 0.00 177.10 177.66 3fcb n ASP 99 N 3.06 0.64 -2.82 3.54 8.00 -1.26 -4.39 116.55 123.31 3fcb n ASP 99 Ca -0.16 0.58 -0.09 0.00 0.71 0.00 0.00 54.79 55.82 3fcb n ASP 99 Cb 0.55 -0.74 -0.03 0.00 -0.02 0.00 0.00 41.12 40.88 3fcb n ASP 99 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3fcb n SER 100 N -2.11 2.37 0.00 -2.24 7.64 -1.26 -4.49 113.62 113.53 3fcb n SER 100 Ca 0.05 -2.04 0.00 0.00 1.01 0.00 0.00 58.87 57.89 3fcb n SER 100 Cb 0.38 -0.69 0.00 0.00 -1.01 0.00 0.00 64.21 62.88 3fcb n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3fcb n GLY 101 N 3.49 2.43 3.53 0.23 0.00 -1.26 -5.05 105.19 108.56 3fcb n GLY 101 Ca 0.21 -0.73 -0.36 0.00 0.00 0.00 0.00 46.02 45.14 3fcb n GLY 101 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3fcb n PRO 102 N 0.00 0.66 -0.03 1.61 -0.04 -1.26 -4.71 135.00 131.23 3fcb n PRO 102 Ca 0.00 -0.04 -0.22 0.00 -0.04 0.00 0.00 63.50 63.20 3fcb n PRO 102 Cb 0.00 -2.77 -0.13 0.00 -0.04 0.00 0.00 33.50 30.55 3fcb n PRO 102 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 3fcb n ARG 103 N 8.76 0.71 -4.30 0.54 1.85 -1.20 -4.78 116.66 118.23 3fcb n ARG 103 Ca 0.48 0.32 -0.34 0.00 -1.00 0.00 0.00 57.85 57.30 3fcb n ARG 103 Cb 0.37 -1.70 -0.14 0.00 -1.05 0.00 0.00 32.46 29.94 3fcb n ARG 103 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 3fcb s ARG 104 N -2.52 3.47 -0.21 2.89 0.52 -0.61 -4.71 118.95 117.78 3fcb s ARG 104 Ca -0.25 -0.61 -0.05 0.00 -0.52 0.00 0.00 55.73 54.30 3fcb s ARG 104 Cb 0.07 -2.88 -0.02 0.00 0.52 0.00 0.00 34.95 32.64 3fcb s ARG 104 CO 0.72 0.05 -0.01 0.71 0.02 0.00 0.00 175.30 176.79 3fcb s TYR 105 N 0.83 3.01 -0.22 -0.53 1.51 0.40 -1.52 117.35 120.84 3fcb s TYR 105 Ca -0.02 -0.63 -0.03 0.00 -1.01 0.00 0.00 57.07 55.37 3fcb s TYR 105 Cb -0.15 -2.11 -0.00 0.00 -0.11 0.00 0.00 41.96 39.59 3fcb s TYR 105 CO 0.01 -0.37 -0.05 0.99 -1.11 0.00 0.00 175.55 175.02 3fcb s THR 106 N 1.26 3.26 -0.27 -0.71 2.01 -0.14 -0.65 115.64 120.39 3fcb s THR 106 Ca 0.03 -0.54 -0.11 0.00 0.31 0.00 0.00 61.69 61.38 3fcb s THR 106 Cb -0.15 -2.48 -0.05 0.00 0.01 0.00 0.00 72.50 69.83 3fcb s THR 106 CO 0.00 0.42 0.18 -0.63 -0.69 0.00 0.00 174.62 173.91 3fcb s ILE 107 N 1.46 5.30 0.03 1.82 -1.09 -0.11 -1.28 121.20 127.34 3fcb s ILE 107 Ca 0.06 0.17 0.07 0.00 -2.23 0.00 0.00 60.65 58.71 3fcb s ILE 107 Cb -0.14 -3.52 -0.03 0.00 -1.58 0.00 0.00 42.46 37.19 3fcb s ILE 107 CO -0.04 0.27 -0.19 0.00 -1.23 0.00 0.00 174.94 173.75 3fcb s ALA 108 N 1.63 2.56 -0.04 9.38 0.00 -0.60 -0.82 121.76 133.87 3fcb s ALA 108 Ca 0.07 -1.18 0.01 0.00 0.00 0.00 0.00 51.96 50.85 3fcb s ALA 108 Cb -0.16 -0.73 0.02 0.00 0.00 0.00 0.00 23.12 22.26 3fcb s ALA 108 CO 0.10 0.57 -0.03 0.00 0.00 0.00 0.00 175.76 176.39 3fcb s ALA 109 N -0.90 0.56 -0.26 0.00 0.00 -0.18 -1.59 121.76 119.41 3fcb s ALA 109 Ca 0.14 0.01 -0.07 0.00 0.00 0.00 0.00 51.96 52.04 3fcb s ALA 109 Cb -0.10 -0.40 -0.02 0.00 0.00 0.00 0.00 23.12 22.60 3fcb s ALA 109 CO 0.05 -0.05 0.06 -1.17 0.00 0.00 0.00 175.76 174.65 3fcb s LEU 110 N 0.98 3.47 -0.15 0.00 2.96 0.44 -0.68 118.68 125.70 3fcb s LEU 110 Ca -0.10 -0.31 -0.05 0.00 -0.22 0.00 0.00 54.13 53.44 3fcb s LEU 110 Cb -0.14 -1.90 -0.04 0.00 0.50 0.00 0.00 46.19 44.61 3fcb s LEU 110 CO -0.01 -0.06 0.04 -0.76 -1.32 0.00 0.00 176.35 174.24 3fcb s LEU 111 N 1.59 3.72 0.19 -0.68 1.43 0.12 -1.52 118.68 123.52 3fcb s LEU 111 Ca 0.06 0.10 0.07 0.00 -1.03 0.00 0.00 54.13 53.33 3fcb s LEU 111 Cb -0.15 -1.91 -0.05 0.00 0.03 0.00 0.00 46.19 44.11 3fcb s LEU 111 CO 0.03 0.25 -0.13 -0.44 0.23 0.00 0.00 176.35 176.28 3fcb s SER 112 N -0.07 2.36 0.37 2.29 0.01 0.21 -0.78 113.70 118.09 3fcb s SER 112 Ca 0.05 -1.02 0.08 0.00 1.31 0.00 0.00 55.95 56.38 3fcb s SER 112 Cb -0.12 -0.10 0.82 0.00 0.21 0.00 0.00 66.02 66.82 3fcb s SER 112 CO 0.01 -0.21 1.93 -0.65 0.41 0.00 0.00 173.24 174.73 3fcb h PRO 113 N 2.62 0.66 -0.18 12.44 0.11 -1.97 -2.90 132.00 142.79 3fcb h PRO 113 Ca -0.38 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3fcb h PRO 113 Cb 1.21 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3fcb h PRO 113 CO 0.62 0.44 0.00 0.66 -0.21 0.00 0.00 178.00 179.51 3fcb n TYR 114 N -4.50 0.36 -3.53 0.65 4.02 -1.26 -0.58 117.16 112.33 3fcb n TYR 114 Ca 0.13 -0.65 -0.17 0.00 -0.01 0.00 0.00 57.90 57.20 3fcb n TYR 114 Cb 0.34 -0.11 -0.06 0.00 -0.02 0.00 0.00 39.34 39.49 3fcb n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3fcb s SER 115 N -1.48 -0.60 0.02 7.72 0.15 -1.09 -4.95 113.70 113.47 3fcb s SER 115 Ca 0.22 0.55 -0.06 0.00 0.70 0.00 0.00 55.95 57.36 3fcb s SER 115 Cb 0.16 0.53 -0.01 0.00 -1.71 0.00 0.00 66.02 64.99 3fcb s SER 115 CO 0.08 -0.65 0.10 -0.72 1.20 0.00 0.00 173.24 173.25 3fcb s TYR 116 N -1.60 0.14 -0.08 3.44 -0.85 -1.26 -0.61 117.35 116.53 3fcb s TYR 116 Ca -0.09 -0.34 0.04 0.00 -0.52 0.00 0.00 57.07 56.15 3fcb s TYR 116 Cb -0.01 -0.10 0.00 0.00 0.38 0.00 0.00 41.96 42.23 3fcb s TYR 116 CO 0.06 -0.31 -0.20 -1.12 -1.52 0.00 0.00 175.55 172.45 3fcb s SER 117 N -1.74 2.61 0.02 -0.18 0.01 -0.58 -4.98 113.70 108.87 3fcb s SER 117 Ca -0.10 -0.46 0.06 0.00 1.31 0.00 0.00 55.95 56.76 3fcb s SER 117 Cb -0.05 -1.06 -0.02 0.00 0.21 0.00 0.00 66.02 65.11 3fcb s SER 117 CO -0.02 0.14 -0.18 0.28 0.41 0.00 0.00 173.24 173.88 3fcb s THR 118 N 0.30 1.43 0.17 1.44 -1.32 -1.26 -0.42 115.64 115.98 3fcb s THR 118 Ca -0.13 -1.00 -0.01 0.00 -1.21 0.00 0.00 61.69 59.34 3fcb s THR 118 Cb -0.16 -1.23 -0.04 0.00 -1.51 0.00 0.00 72.50 69.56 3fcb s THR 118 CO 0.06 0.21 0.10 0.28 -2.21 0.00 0.00 174.62 173.06 3fcb s THR 119 N -0.68 0.04 -0.02 5.08 -1.32 -0.62 -5.00 115.64 113.12 3fcb s THR 119 Ca 0.06 -1.97 0.04 0.00 -1.21 0.00 0.00 61.69 58.61 3fcb s THR 119 Cb -0.08 -2.33 -0.01 0.00 -1.51 0.00 0.00 72.50 68.57 3fcb s THR 119 CO 0.01 -0.17 -0.14 0.00 -2.21 0.00 0.00 174.62 172.11 3fcb s ALA 120 N -4.12 1.19 -0.19 11.08 0.00 -1.26 -1.56 121.76 126.91 3fcb s ALA 120 Ca 0.34 -0.59 0.01 0.00 0.00 0.00 0.00 51.96 51.71 3fcb s ALA 120 Cb 0.07 -0.32 0.04 0.00 0.00 0.00 0.00 23.12 22.91 3fcb s ALA 120 CO 0.08 0.27 -0.10 0.08 0.00 0.00 0.00 175.76 176.10 3fcb s VAL 121 N -0.24 1.52 -0.20 0.00 1.01 -0.40 -4.99 120.40 117.08 3fcb s VAL 121 Ca 0.04 -0.88 0.01 0.00 0.00 0.00 0.00 61.98 61.15 3fcb s VAL 121 Cb -0.06 -1.59 0.04 0.00 0.00 0.00 0.00 36.38 34.76 3fcb s VAL 121 CO -0.00 0.20 -0.15 0.68 0.00 0.00 0.00 175.10 175.83 3fcb s VAL 122 N 1.46 1.96 0.06 2.92 -7.23 -1.26 -0.97 120.40 117.34 3fcb s VAL 122 Ca -0.00 -1.13 0.05 0.00 -1.81 0.00 0.00 61.98 59.09 3fcb s VAL 122 Cb -0.16 -1.91 -0.03 0.00 0.56 0.00 0.00 36.38 34.85 3fcb s VAL 122 CO -0.08 0.29 -0.14 0.42 -0.31 0.00 0.00 175.10 175.28 3fcb s THR 123 N 1.28 1.12 -2.23 5.32 -4.23 -0.57 -4.93 115.64 111.39 3fcb s THR 123 Ca -0.00 -1.17 0.18 0.00 -1.18 0.00 0.00 61.69 59.52 3fcb s THR 123 Cb -0.16 -1.05 0.14 0.00 1.34 0.00 0.00 72.50 72.78 3fcb s THR 123 CO -0.10 -0.12 1.07 -3.20 -0.54 0.00 0.00 174.62 171.73