#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cfq h PRO 11 N 0.00 0.00 -3.59 0.00 0.13 -1.87 -3.44 132.00 123.24 3cfq h PRO 11 Ca 0.00 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.67 3cfq h PRO 11 Cb 0.00 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 30.74 3cfq h PRO 11 CO 0.00 0.46 -0.76 -1.17 -0.23 0.00 0.00 178.00 176.30 3cfq s LEU 12 N -6.84 0.76 0.07 1.56 2.96 -1.26 -0.24 118.68 115.69 3cfq s LEU 12 Ca 0.01 -0.38 0.09 0.00 -0.22 0.00 0.00 54.13 53.64 3cfq s LEU 12 Cb 0.10 -0.47 -0.03 0.00 0.50 0.00 0.00 46.19 46.29 3cfq s LEU 12 CO 0.72 -0.25 -0.24 -0.32 -1.32 0.00 0.00 176.35 174.94 3cfq s MET 13 N 1.95 1.47 -0.08 1.98 -2.45 0.11 -4.38 119.30 117.90 3cfq s MET 13 Ca 0.03 -1.12 0.04 0.00 -1.25 0.00 0.00 55.69 53.38 3cfq s MET 13 Cb -0.14 -1.72 0.00 0.00 1.25 0.00 0.00 34.83 34.22 3cfq s MET 13 CO -0.06 0.43 -0.21 0.08 1.05 0.00 0.00 175.02 176.30 3cfq s VAL 14 N -0.92 1.83 -0.11 10.11 1.01 -0.89 -0.04 120.40 131.38 3cfq s VAL 14 Ca 0.10 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.21 3cfq s VAL 14 Cb -0.10 -1.58 0.01 0.00 0.00 0.00 0.00 36.38 34.71 3cfq s VAL 14 CO 0.03 0.51 -0.18 -0.75 0.00 0.00 0.00 175.10 174.71 3cfq s LYS 15 N 0.29 2.52 -0.09 2.72 2.20 0.02 -0.43 119.74 126.97 3cfq s LYS 15 Ca -0.14 -0.68 0.02 0.00 -0.36 0.00 0.00 55.97 54.81 3cfq s LYS 15 Cb -0.16 -2.05 0.01 0.00 -1.51 0.00 0.00 37.83 34.12 3cfq s LYS 15 CO 0.06 0.01 -0.13 0.08 -0.36 0.00 0.00 175.35 175.01 3cfq s VAL 16 N 0.77 1.28 0.16 4.02 1.01 -0.03 -0.70 120.40 126.92 3cfq s VAL 16 Ca -0.10 -0.53 0.10 0.00 0.00 0.00 0.00 61.98 61.44 3cfq s VAL 16 Cb -0.16 -1.18 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 3cfq s VAL 16 CO 0.01 0.39 -0.22 -0.76 0.00 0.00 0.00 175.10 174.52 3cfq s LEU 17 N 0.88 2.40 -0.32 3.92 1.43 0.36 -0.58 118.68 126.78 3cfq s LEU 17 Ca -0.10 -0.82 -0.09 0.00 -1.03 0.00 0.00 54.13 52.09 3cfq s LEU 17 Cb -0.15 -1.04 0.01 0.00 0.03 0.00 0.00 46.19 45.03 3cfq s LEU 17 CO 0.01 0.08 0.14 -0.62 0.23 0.00 0.00 176.35 176.18 3cfq s ASP 18 N -2.47 5.43 0.07 2.29 -1.08 0.11 -0.29 116.67 120.73 3cfq s ASP 18 Ca 0.16 -0.69 0.28 0.00 -0.52 0.00 0.00 52.55 51.78 3cfq s ASP 18 Cb -0.08 -1.96 1.00 0.00 -1.46 0.00 0.00 42.92 40.42 3cfq s ASP 18 CO 0.08 -0.23 1.81 0.00 0.52 0.00 0.00 175.17 177.34 3cfq n ALA 19 N 4.94 2.45 -0.00 3.66 0.00 0.23 -1.04 120.51 130.75 3cfq n ALA 19 Ca -0.14 -0.11 -0.20 0.00 0.00 0.00 0.00 53.44 52.99 3cfq n ALA 19 Cb 0.48 -1.42 -0.14 0.00 0.00 0.00 0.00 19.45 18.37 3cfq n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3cfq h VAL 20 N 0.00 1.22 0.00 0.00 2.07 -1.94 -3.38 116.25 114.21 3cfq h VAL 20 Ca 0.00 -2.41 0.00 0.00 0.82 0.00 0.00 66.70 65.11 3cfq h VAL 20 Cb 0.59 2.86 0.00 0.00 -1.52 0.00 0.00 31.29 33.21 3cfq h VAL 20 CO 0.00 0.66 -1.08 0.54 0.02 0.00 0.00 177.57 177.71 3cfq n ARG 21 N -4.10 0.11 -2.99 1.57 1.74 -1.24 -5.00 116.66 106.75 3cfq n ARG 21 Ca -0.21 -0.02 -0.12 0.00 -0.77 0.00 0.00 57.85 56.72 3cfq n ARG 21 Cb 0.82 -1.51 0.06 0.00 -1.02 0.00 0.00 32.46 30.80 3cfq n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3cfq n GLY 22 N 1.46 -0.09 3.25 -0.13 0.00 -0.20 -5.04 105.19 104.44 3cfq n GLY 22 Ca 0.03 -0.09 -0.10 0.00 0.00 0.00 0.00 46.02 45.87 3cfq n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3cfq s SER 23 N -3.83 0.16 0.35 1.61 1.04 -1.04 -4.99 113.70 107.01 3cfq s SER 23 Ca 0.05 -1.01 -0.28 0.00 0.48 0.00 0.00 55.95 55.19 3cfq s SER 23 Cb -0.02 0.37 -0.12 0.00 0.10 0.00 0.00 66.02 66.35 3cfq s SER 23 CO 0.49 -0.82 1.32 -0.81 0.98 0.00 0.00 173.24 174.40 3cfq n PRO 24 N -0.16 2.21 -2.84 4.02 -0.04 -1.26 0.04 135.00 136.97 3cfq n PRO 24 Ca -0.07 0.78 -0.43 0.00 -0.04 0.00 0.00 63.50 63.74 3cfq n PRO 24 Cb 0.63 -2.39 -0.04 0.00 -0.04 0.00 0.00 33.50 31.65 3cfq n PRO 24 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3cfq s ALA 25 N -1.11 3.20 0.07 0.55 0.00 0.26 -4.63 121.76 120.10 3cfq s ALA 25 Ca 0.55 -1.07 -0.11 0.00 0.00 0.00 0.00 51.96 51.33 3cfq s ALA 25 Cb -0.55 -3.68 -0.06 0.00 0.00 0.00 0.00 23.12 18.83 3cfq s ALA 25 CO 0.62 -2.24 0.42 0.42 0.00 0.00 0.00 175.76 174.99 3cfq s ILE 26 N 3.82 5.05 -1.39 0.00 1.01 -1.26 -4.35 121.20 124.08 3cfq s ILE 26 Ca 0.32 0.58 -0.03 0.00 0.00 0.00 0.00 60.65 61.52 3cfq s ILE 26 Cb -0.12 -3.67 0.00 0.00 0.01 0.00 0.00 42.46 38.69 3cfq s ILE 26 CO 0.22 0.34 0.43 0.59 0.00 0.00 0.00 174.94 176.52 3cfq n ASN 27 N 1.08 -5.50 -4.68 3.58 3.02 -0.47 -4.95 115.26 107.35 3cfq n ASN 27 Ca -0.09 -0.20 -0.40 0.00 -0.03 0.00 0.00 54.58 53.86 3cfq n ASN 27 Cb 0.52 -4.37 -0.06 0.00 -0.61 0.00 0.00 39.78 35.26 3cfq n ASN 27 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3cfq s VAL 28 N -3.06 5.06 0.11 2.41 1.01 -1.26 -4.74 120.40 119.93 3cfq s VAL 28 Ca 0.21 1.14 -0.31 0.00 0.00 0.00 0.00 61.98 63.03 3cfq s VAL 28 Cb -0.09 -3.92 -0.07 0.00 0.00 0.00 0.00 36.38 32.30 3cfq s VAL 28 CO 0.26 0.17 1.27 0.00 0.00 0.00 0.00 175.10 176.81 3cfq s ALA 29 N 1.52 3.48 -0.09 5.51 0.00 -1.26 -1.06 121.76 129.85 3cfq s ALA 29 Ca 0.29 0.97 0.02 0.00 0.00 0.00 0.00 51.96 53.24 3cfq s ALA 29 Cb -0.16 -3.47 0.01 0.00 0.00 0.00 0.00 23.12 19.50 3cfq s ALA 29 CO 0.11 -0.49 -0.16 0.08 0.00 0.00 0.00 175.76 175.30 3cfq s VAL 30 N 0.85 1.46 -0.13 0.00 1.01 0.50 -1.21 120.40 122.89 3cfq s VAL 30 Ca 0.60 -0.65 0.02 0.00 0.00 0.00 0.00 61.98 61.94 3cfq s VAL 30 Cb -0.33 -1.32 -0.00 0.00 0.00 0.00 0.00 36.38 34.73 3cfq s VAL 30 CO 0.31 0.43 -0.19 -1.00 0.00 0.00 0.00 175.10 174.65 3cfq s HIS 31 N 0.71 2.69 -0.13 5.22 3.76 -0.19 -1.62 115.29 125.73 3cfq s HIS 31 Ca -0.13 -1.01 -0.05 0.00 -0.15 0.00 0.00 55.06 53.73 3cfq s HIS 31 Cb -0.16 -1.81 -0.04 0.00 1.11 0.00 0.00 32.58 31.69 3cfq s HIS 31 CO 0.03 -0.42 0.04 0.08 -0.85 0.00 0.00 174.74 173.61 3cfq s VAL 32 N 0.55 4.59 0.09 -0.90 1.01 0.23 -0.04 120.40 125.93 3cfq s VAL 32 Ca -0.11 -0.13 0.08 0.00 0.00 0.00 0.00 61.98 61.82 3cfq s VAL 32 Cb -0.16 -3.00 -0.03 0.00 0.00 0.00 0.00 36.38 33.19 3cfq s VAL 32 CO 0.04 0.55 -0.22 -0.36 0.00 0.00 0.00 175.10 175.11 3cfq s PHE 33 N -0.35 1.86 -0.11 5.22 0.08 0.58 -0.74 117.98 124.51 3cfq s PHE 33 Ca 0.08 -0.41 -0.02 0.00 0.12 0.00 0.00 56.93 56.70 3cfq s PHE 33 Cb -0.12 -1.03 -0.03 0.00 -0.57 0.00 0.00 43.02 41.26 3cfq s PHE 33 CO 0.02 0.20 -0.01 0.50 -0.10 0.00 0.00 175.22 175.82 3cfq s ARG 34 N -1.77 3.21 -0.20 0.44 6.06 0.43 -0.80 118.95 126.32 3cfq s ARG 34 Ca 0.07 -0.45 -0.29 0.00 -2.50 0.00 0.00 55.73 52.56 3cfq s ARG 34 Cb -0.10 -2.83 -0.00 0.00 0.06 0.00 0.00 34.95 32.08 3cfq s ARG 34 CO 0.04 0.55 1.15 0.21 -2.50 0.00 0.00 175.30 174.75 3cfq s LYS 35 N -0.46 4.24 0.65 5.12 2.20 -0.22 -0.41 119.74 130.88 3cfq s LYS 35 Ca 0.08 1.51 -0.08 0.00 -0.36 0.00 0.00 55.97 57.11 3cfq s LYS 35 Cb -0.12 -3.70 0.02 0.00 -1.51 0.00 0.00 37.83 32.52 3cfq s LYS 35 CO 0.02 -0.67 0.99 0.00 -0.36 0.00 0.00 175.35 175.33 3cfq s ALA 36 N 3.35 3.12 0.53 3.13 0.00 -0.38 -4.75 121.76 126.76 3cfq s ALA 36 Ca 0.49 -0.61 0.22 0.00 0.00 0.00 0.00 51.96 52.06 3cfq s ALA 36 Cb -0.18 -2.75 1.36 0.00 0.00 0.00 0.00 23.12 21.54 3cfq s ALA 36 CO 0.10 -1.02 2.05 0.00 0.00 0.00 0.00 175.76 176.89 3cfq h ALA 37 N -0.42 2.33 -0.34 0.00 0.00 -1.96 0.34 119.26 119.21 3cfq h ALA 37 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3cfq h ALA 37 Cb 1.27 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3cfq h ALA 37 CO 0.62 -0.44 0.00 -0.40 0.00 0.00 0.00 179.25 179.03 3cfq n ASP 38 N -4.42 2.23 0.00 0.00 5.75 -1.26 -4.92 116.55 113.93 3cfq n ASP 38 Ca 0.05 -2.11 0.00 0.00 -0.01 0.00 0.00 54.79 52.73 3cfq n ASP 38 Cb 0.44 -0.32 0.00 0.00 -1.03 0.00 0.00 41.12 40.20 3cfq n ASP 38 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3cfq n ASP 39 N 0.48 -4.17 -4.89 -1.12 8.00 0.11 -5.03 116.55 109.93 3cfq n ASP 39 Ca 0.12 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.33 3cfq n ASP 39 Cb 0.40 -1.79 0.00 0.00 -0.02 0.00 0.00 41.12 39.71 3cfq n ASP 39 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3cfq s THR 40 N -1.60 4.82 -0.27 -3.53 -4.23 -1.26 -4.81 115.64 104.76 3cfq s THR 40 Ca 0.00 0.51 -0.17 0.00 -1.18 0.00 0.00 61.69 60.85 3cfq s THR 40 Cb 0.00 -3.85 -0.03 0.00 1.34 0.00 0.00 72.50 69.96 3cfq s THR 40 CO 0.00 -0.94 0.49 0.26 -0.54 0.00 0.00 174.62 173.89 3cfq s TRP 41 N -2.88 3.26 -0.18 3.99 0.52 -1.26 -1.25 118.94 121.13 3cfq s TRP 41 Ca 0.51 0.57 -0.07 0.00 0.02 0.00 0.00 56.10 57.14 3cfq s TRP 41 Cb -0.11 -2.70 -0.04 0.00 -1.15 0.00 0.00 33.47 29.48 3cfq s TRP 41 CO 0.47 -0.28 0.04 -1.21 0.02 0.00 0.00 176.95 175.99 3cfq s GLU 42 N 2.26 3.88 0.04 4.98 2.02 0.46 -4.90 118.70 127.43 3cfq s GLU 42 Ca 0.20 -0.40 -0.36 0.00 0.02 0.00 0.00 54.97 54.43 3cfq s GLU 42 Cb -0.16 -3.15 -0.15 0.00 0.10 0.00 0.00 34.13 30.77 3cfq s GLU 42 CO 0.09 0.23 1.56 -2.30 0.02 0.00 0.00 175.26 174.86 3cfq n PRO 43 N 3.65 1.65 -0.02 0.39 -0.02 -1.26 -0.42 135.00 138.96 3cfq n PRO 43 Ca -0.17 0.60 -0.05 0.00 -2.02 0.00 0.00 63.50 61.86 3cfq n PRO 43 Cb 0.52 -2.32 -0.02 0.00 -0.02 0.00 0.00 33.50 31.66 3cfq n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3cfq n PHE 44 N 3.81 0.00 -3.48 6.00 7.35 0.08 -4.79 117.46 126.43 3cfq n PHE 44 Ca 0.20 0.00 -0.13 0.00 -0.76 0.00 0.00 57.45 56.76 3cfq n PHE 44 Cb 0.23 -0.16 -0.03 0.00 0.35 0.00 0.00 39.48 39.87 3cfq n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3cfq s ALA 45 N -2.08 -1.73 0.23 3.13 0.00 -0.99 -5.01 121.76 115.30 3cfq s ALA 45 Ca -0.06 0.95 -0.18 0.00 0.00 0.00 0.00 51.96 52.67 3cfq s ALA 45 Cb 0.02 0.37 0.02 0.00 0.00 0.00 0.00 23.12 23.53 3cfq s ALA 45 CO 0.08 -0.59 0.57 -1.54 0.00 0.00 0.00 175.76 174.28 3cfq s SER 46 N -2.08 -0.25 0.00 0.00 1.04 -1.26 0.73 113.70 111.89 3cfq s SER 46 Ca -0.02 -0.57 0.00 0.00 0.48 0.00 0.00 55.95 55.84 3cfq s SER 46 Cb -0.01 0.62 0.00 0.00 0.10 0.00 0.00 66.02 66.74 3cfq s SER 46 CO -0.04 -1.15 0.00 0.61 0.98 0.00 0.00 173.24 173.64 3cfq n GLY 47 N -0.38 -1.30 3.45 7.32 0.00 -0.64 -4.97 105.19 108.66 3cfq n GLY 47 Ca -0.07 -1.04 -0.33 0.00 0.00 0.00 0.00 46.02 44.58 3cfq n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cfq s LYS 48 N -1.93 2.57 0.47 1.61 -0.14 -1.26 -0.37 119.74 120.69 3cfq s LYS 48 Ca 0.00 -0.72 -0.24 0.00 -1.36 0.00 0.00 55.97 53.65 3cfq s LYS 48 Cb 0.00 -2.38 -0.07 0.00 -1.68 0.00 0.00 37.83 33.70 3cfq s LYS 48 CO 0.00 0.57 1.36 0.95 -0.76 0.00 0.00 175.35 177.48 3cfq s THR 49 N -0.60 2.25 0.00 2.17 -4.23 -0.23 -4.82 115.64 110.19 3cfq s THR 49 Ca 0.09 0.21 0.00 0.00 -1.18 0.00 0.00 61.69 60.81 3cfq s THR 49 Cb -0.11 -3.12 0.00 0.00 1.34 0.00 0.00 72.50 70.61 3cfq s THR 49 CO 0.01 0.02 0.00 -1.54 -0.54 0.00 0.00 174.62 172.57 3cfq n SER 50 N -0.40 -0.14 0.13 3.99 3.41 0.02 -1.37 113.62 119.26 3cfq n SER 50 Ca 0.07 -0.87 0.06 0.00 -0.26 0.00 0.00 58.87 57.86 3cfq n SER 50 Cb 0.44 0.00 0.53 0.00 -0.26 0.00 0.00 64.21 64.91 3cfq n SER 50 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 3cfq h GLU 51 N 0.00 0.27 -0.03 4.33 -0.00 -1.94 -1.36 114.58 115.85 3cfq h GLU 51 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 59.36 59.34 3cfq h GLU 51 Cb 0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 28.75 28.69 3cfq h GLU 51 CO 0.00 0.19 0.00 -1.13 -0.00 0.00 0.00 179.01 178.07 3cfq n SER 52 N -4.50 0.64 -0.35 3.06 3.41 -1.26 -4.77 113.62 109.85 3cfq n SER 52 Ca -0.00 -1.34 -0.05 0.00 -0.26 0.00 0.00 58.87 57.22 3cfq n SER 52 Cb 0.08 -0.02 -0.02 0.00 -0.26 0.00 0.00 64.21 64.00 3cfq n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3cfq n GLY 53 N 1.01 0.72 3.64 5.00 0.00 -0.51 -4.75 105.19 110.30 3cfq n GLY 53 Ca 0.19 -0.50 -0.31 0.00 0.00 0.00 0.00 46.02 45.40 3cfq n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3cfq s GLU 54 N -1.94 2.53 -0.16 1.61 2.02 -1.26 -0.85 118.70 120.64 3cfq s GLU 54 Ca 0.00 -0.79 -0.00 0.00 0.02 0.00 0.00 54.97 54.19 3cfq s GLU 54 Cb 0.00 -2.52 0.04 0.00 0.10 0.00 0.00 34.13 31.75 3cfq s GLU 54 CO 0.00 0.57 -0.05 -1.17 0.02 0.00 0.00 175.26 174.62 3cfq s LEU 55 N -1.90 1.58 0.38 1.80 2.96 0.43 -0.80 118.68 123.12 3cfq s LEU 55 Ca 0.21 -0.64 0.08 0.00 -0.22 0.00 0.00 54.13 53.57 3cfq s LEU 55 Cb -0.11 -0.91 -0.06 0.00 0.50 0.00 0.00 46.19 45.60 3cfq s LEU 55 CO 0.13 -0.18 0.02 -1.00 -1.32 0.00 0.00 176.35 174.00 3cfq s HIS 56 N 1.64 2.52 -1.45 5.38 3.76 -1.26 -2.10 115.29 123.77 3cfq s HIS 56 Ca 0.01 -0.56 -0.01 0.00 -0.15 0.00 0.00 55.06 54.35 3cfq s HIS 56 Cb -0.15 -1.66 0.00 0.00 1.11 0.00 0.00 32.58 31.88 3cfq s HIS 56 CO -0.08 0.44 0.12 0.41 -0.85 0.00 0.00 174.74 174.78 3cfq n GLY 57 N -0.98 -0.35 0.25 -2.22 0.00 -1.26 -4.91 105.19 95.73 3cfq n GLY 57 Ca -0.04 -0.12 -0.10 0.00 0.00 0.00 0.00 46.02 45.76 3cfq n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3cfq h LEU 58 N -0.27 0.85 -8.44 0.99 3.38 -1.87 -3.48 115.31 106.47 3cfq h LEU 58 Ca -0.42 -0.33 -0.23 0.00 0.09 0.00 0.00 57.88 56.98 3cfq h LEU 58 Cb 1.31 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 41.76 3cfq h LEU 58 CO 0.49 0.98 -0.10 0.28 0.09 0.00 0.00 178.44 180.17 3cfq s THR 59 N -4.91 0.00 0.35 0.22 -1.32 -1.26 -4.78 115.64 103.94 3cfq s THR 59 Ca -0.12 -1.49 0.09 0.00 -1.21 0.00 0.00 61.69 58.96 3cfq s THR 59 Cb 0.11 -2.70 -0.06 0.00 -1.51 0.00 0.00 72.50 68.35 3cfq s THR 59 CO 0.83 0.00 -0.02 0.42 -2.21 0.00 0.00 174.62 173.64 3cfq s THR 60 N -2.88 2.41 0.20 5.08 -4.23 -1.26 -4.46 115.64 110.51 3cfq s THR 60 Ca 0.28 -2.05 0.27 0.00 -1.18 0.00 0.00 61.69 59.01 3cfq s THR 60 Cb -0.01 -2.77 0.29 0.00 1.34 0.00 0.00 72.50 71.34 3cfq s THR 60 CO 0.19 -0.17 1.93 1.05 -0.54 0.00 0.00 174.62 177.08 3cfq h GLU 61 N 1.87 0.00 -0.59 3.99 4.11 -1.98 -1.17 114.58 120.80 3cfq h GLU 61 Ca -0.43 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 58.91 3cfq h GLU 61 Cb 1.25 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.48 3cfq h GLU 61 CO 0.69 0.15 -0.01 1.49 0.07 0.00 0.00 179.01 181.40 3cfq h GLU 62 N 0.00 1.05 0.00 1.06 4.81 -2.04 -3.31 114.58 116.14 3cfq h GLU 62 Ca -0.00 -0.33 -0.23 0.00 -0.13 0.00 0.00 59.36 58.66 3cfq h GLU 62 Cb 0.59 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.83 3cfq h GLU 62 CO 0.02 1.03 -1.46 0.93 -0.73 0.00 0.00 179.01 178.80 3cfq h GLU 63 N 0.95 0.00 -3.69 1.92 5.08 -1.89 -3.41 114.58 113.54 3cfq h GLU 63 Ca 0.17 0.00 -0.71 0.00 -1.00 0.00 0.00 59.36 57.81 3cfq h GLU 63 Cb 0.57 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.77 3cfq h GLU 63 CO 0.03 0.49 3.04 0.34 -1.00 0.00 0.00 179.01 181.92 3cfq n PHE 64 N -3.05 3.21 -1.69 4.33 7.35 -0.47 -4.96 117.46 122.18 3cfq n PHE 64 Ca -0.11 -2.96 -0.30 0.00 -0.76 0.00 0.00 57.45 53.31 3cfq n PHE 64 Cb 0.96 -2.41 0.07 0.00 0.35 0.00 0.00 39.48 38.44 3cfq n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 3cfq s VAL 65 N 2.37 3.40 0.42 -2.13 -7.23 -1.26 -4.94 120.40 111.02 3cfq s VAL 65 Ca 0.50 0.45 -0.25 0.00 -1.81 0.00 0.00 61.98 60.87 3cfq s VAL 65 Cb 0.14 -3.30 -0.10 0.00 0.56 0.00 0.00 36.38 33.68 3cfq s VAL 65 CO -0.07 -0.59 1.15 -0.62 -0.31 0.00 0.00 175.10 174.66 3cfq n GLU 66 N -3.22 1.65 0.00 4.82 1.02 -1.26 -4.86 120.64 118.79 3cfq n GLU 66 Ca 0.07 0.59 0.00 0.00 -0.02 0.00 0.00 57.16 57.80 3cfq n GLU 66 Cb 0.56 -2.23 0.00 0.00 -0.02 0.00 0.00 31.44 29.76 3cfq n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3cfq n GLY 67 N 0.98 0.55 3.71 0.62 0.00 -1.04 -4.97 105.19 105.04 3cfq n GLY 67 Ca 0.08 -1.38 -0.38 0.00 0.00 0.00 0.00 46.02 44.33 3cfq n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cfq s ILE 68 N -1.86 5.16 0.08 -0.61 1.01 -1.26 -0.51 121.20 123.22 3cfq s ILE 68 Ca 0.00 0.98 0.09 0.00 0.00 0.00 0.00 60.65 61.72 3cfq s ILE 68 Cb 0.00 -3.83 -0.03 0.00 0.01 0.00 0.00 42.46 38.60 3cfq s ILE 68 CO 0.00 0.29 -0.24 -0.31 0.00 0.00 0.00 174.94 174.68 3cfq s TYR 69 N 0.86 2.08 -0.14 3.97 2.02 0.66 -1.05 117.35 125.75 3cfq s TYR 69 Ca 0.26 -0.40 0.02 0.00 -0.37 0.00 0.00 57.07 56.59 3cfq s TYR 69 Cb -0.15 -1.18 0.01 0.00 -0.40 0.00 0.00 41.96 40.24 3cfq s TYR 69 CO 0.10 0.20 -0.22 0.21 -1.57 0.00 0.00 175.55 174.28 3cfq s LYS 70 N -1.64 3.01 -0.36 -0.62 2.20 0.02 -1.33 119.74 121.01 3cfq s LYS 70 Ca 0.10 -0.85 -0.11 0.00 -0.36 0.00 0.00 55.97 54.75 3cfq s LYS 70 Cb -0.10 -2.44 0.01 0.00 -1.51 0.00 0.00 37.83 33.79 3cfq s LYS 70 CO 0.04 -0.04 0.21 0.08 -0.36 0.00 0.00 175.35 175.27 3cfq s VAL 71 N 0.88 4.72 -0.29 4.02 1.01 0.71 -0.31 120.40 131.14 3cfq s VAL 71 Ca -0.06 -0.66 -0.10 0.00 0.00 0.00 0.00 61.98 61.17 3cfq s VAL 71 Cb -0.15 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 3cfq s VAL 71 CO -0.03 -0.14 0.15 -0.70 0.00 0.00 0.00 175.10 174.37 3cfq s GLU 72 N 1.60 3.61 -0.31 2.72 2.12 0.94 -0.69 118.70 128.68 3cfq s GLU 72 Ca 0.03 -0.54 -0.09 0.00 0.36 0.00 0.00 54.97 54.74 3cfq s GLU 72 Cb -0.18 -3.55 0.00 0.00 0.26 0.00 0.00 34.13 30.66 3cfq s GLU 72 CO 0.07 -0.29 0.13 0.42 -0.54 0.00 0.00 175.26 175.05 3cfq s ILE 73 N 1.66 4.34 -1.18 -3.70 1.01 0.65 -1.03 121.20 122.95 3cfq s ILE 73 Ca 0.06 -0.57 -0.18 0.00 0.00 0.00 0.00 60.65 59.95 3cfq s ILE 73 Cb -0.16 -3.24 -0.03 0.00 0.01 0.00 0.00 42.46 39.04 3cfq s ILE 73 CO 0.07 0.05 2.00 0.47 0.00 0.00 0.00 174.94 177.53 3cfq n ASP 74 N 4.94 3.56 0.08 3.58 8.00 -0.35 -1.31 116.55 135.04 3cfq n ASP 74 Ca -0.14 -2.79 -0.07 0.00 0.71 0.00 0.00 54.79 52.51 3cfq n ASP 74 Cb 0.48 -1.52 0.07 0.00 -0.02 0.00 0.00 41.12 40.14 3cfq n ASP 74 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 3cfq h THR 75 N 4.74 1.41 -0.37 -3.53 1.35 -1.87 -3.19 112.91 111.46 3cfq h THR 75 Ca 0.45 -2.17 -0.00 0.00 -0.55 0.00 0.00 66.41 64.14 3cfq h THR 75 Cb 0.73 2.14 -0.02 0.00 -1.73 0.00 0.00 68.15 69.27 3cfq h THR 75 CO 1.74 0.64 0.22 0.50 -0.25 0.00 0.00 175.52 178.37 3cfq h LYS 76 N 0.17 0.50 -0.60 4.72 3.64 -1.71 -1.91 116.57 121.38 3cfq h LYS 76 Ca -0.02 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.29 3cfq h LYS 76 Cb 1.24 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.92 3cfq h LYS 76 CO 0.11 0.38 0.27 0.77 -2.27 0.00 0.00 179.45 178.70 3cfq h SER 77 N 0.48 0.77 0.16 4.20 0.02 -1.85 -1.22 113.55 116.12 3cfq h SER 77 Ca 0.13 -0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 3cfq h SER 77 Cb 0.00 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.35 3cfq h SER 77 CO -0.02 0.67 -0.08 0.22 -1.14 0.00 0.00 176.83 176.48 3cfq h TYR 78 N 0.85 -0.20 -0.21 3.45 3.20 -1.43 -2.46 116.97 120.17 3cfq h TYR 78 Ca 0.21 -0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.97 3cfq h TYR 78 Cb 0.12 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.44 3cfq h TYR 78 CO 0.01 -0.11 -0.31 -1.49 -1.64 0.00 0.00 178.16 174.61 3cfq h TRP 79 N -0.22 0.48 -0.48 -3.82 4.06 -1.18 -3.02 115.95 111.78 3cfq h TRP 79 Ca -0.02 -0.11 0.03 0.00 2.06 0.00 0.00 58.89 60.85 3cfq h TRP 79 Cb 0.17 -0.11 -0.04 0.00 -1.00 0.00 0.00 29.16 28.18 3cfq h TRP 79 CO -0.06 0.69 0.26 0.87 -3.56 0.00 0.00 178.44 176.63 3cfq h LYS 80 N 0.36 0.49 0.00 0.49 1.57 -1.13 0.82 116.57 119.18 3cfq h LYS 80 Ca 0.05 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 3cfq h LYS 80 Cb 0.73 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.93 3cfq h LYS 80 CO 0.06 0.32 -0.12 0.00 -0.57 0.00 0.00 179.45 179.14 3cfq h ALA 81 N 1.24 1.12 -0.01 3.86 0.00 -1.32 -1.29 119.26 122.86 3cfq h ALA 81 Ca 0.20 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3cfq h ALA 81 Cb 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3cfq h ALA 81 CO -0.13 0.15 -0.14 1.28 0.00 0.00 0.00 179.25 180.41 3cfq n LEU 82 N -3.41 1.24 0.00 0.00 4.77 -1.00 -4.95 117.00 113.66 3cfq n LEU 82 Ca -0.01 -0.37 0.00 0.00 -0.03 0.00 0.00 56.01 55.60 3cfq n LEU 82 Cb 0.30 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 3cfq n LEU 82 CO 0.30 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 3cfq n GLY 83 N 1.27 0.44 3.27 -0.72 0.00 -0.49 -5.06 105.19 103.91 3cfq n GLY 83 Ca 0.15 -0.92 -0.32 0.00 0.00 0.00 0.00 46.02 44.93 3cfq n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cfq s ILE 84 N -2.00 2.17 -0.46 -0.61 1.01 0.24 -5.01 121.20 116.54 3cfq s ILE 84 Ca 0.00 -1.01 -0.28 0.00 0.00 0.00 0.00 60.65 59.36 3cfq s ILE 84 Cb 0.00 -1.80 0.03 0.00 0.01 0.00 0.00 42.46 40.69 3cfq s ILE 84 CO 0.00 0.57 1.07 -0.55 0.00 0.00 0.00 174.94 176.03 3cfq s SER 85 N -0.04 6.62 0.48 3.58 0.15 -1.26 -3.48 113.70 119.75 3cfq s SER 85 Ca -0.07 0.43 -0.02 0.00 0.70 0.00 0.00 55.95 56.99 3cfq s SER 85 Cb -0.15 -2.52 -0.01 0.00 -1.71 0.00 0.00 66.02 61.63 3cfq s SER 85 CO 0.05 -1.16 0.72 -2.16 1.20 0.00 0.00 173.24 171.89 3cfq s PRO 86 N 4.19 3.12 -0.17 5.44 0.04 -1.26 -4.87 135.00 141.49 3cfq s PRO 86 Ca 0.45 -0.29 -0.24 0.00 0.04 0.00 0.00 61.00 60.96 3cfq s PRO 86 Cb -0.08 -2.48 -0.21 0.00 0.04 0.00 0.00 34.50 31.76 3cfq s PRO 86 CO 0.29 -0.32 0.47 0.35 0.04 0.00 0.00 177.00 177.82 3cfq h PHE 87 N 0.28 0.00 -3.92 0.56 3.57 -1.18 -3.49 116.94 112.77 3cfq h PHE 87 Ca -0.46 0.00 -0.46 0.00 3.53 0.00 0.00 57.97 60.57 3cfq h PHE 87 Cb 1.25 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.96 3cfq h PHE 87 CO 0.48 1.11 0.23 -1.01 -2.23 0.00 0.00 178.31 176.89 3cfq s HIS 88 N -2.24 3.34 -0.03 0.41 3.76 -1.26 -5.01 115.29 114.26 3cfq s HIS 88 Ca -0.22 1.43 -0.22 0.00 -0.15 0.00 0.00 55.06 55.90 3cfq s HIS 88 Cb 0.01 -2.71 -0.15 0.00 1.11 0.00 0.00 32.58 30.84 3cfq s HIS 88 CO 0.60 -0.03 0.99 0.93 -0.85 0.00 0.00 174.74 176.37 3cfq h GLU 89 N 2.00 -0.31 -3.71 1.40 4.39 -1.97 -3.37 114.58 113.02 3cfq h GLU 89 Ca -0.48 0.02 -0.07 0.00 0.34 0.00 0.00 59.36 59.16 3cfq h GLU 89 Cb 1.18 0.07 -0.11 0.00 -0.10 0.00 0.00 28.75 29.79 3cfq h GLU 89 CO 0.63 0.06 -0.18 -1.01 -1.16 0.00 0.00 179.01 177.35 3cfq s HIS 90 N -3.88 0.33 -0.17 4.33 3.76 -1.26 -3.30 115.29 115.10 3cfq s HIS 90 Ca -0.13 -0.68 -0.13 0.00 -0.15 0.00 0.00 55.06 53.97 3cfq s HIS 90 Cb 0.01 0.11 -0.05 0.00 1.11 0.00 0.00 32.58 33.77 3cfq s HIS 90 CO 0.48 -0.88 0.26 0.00 -0.85 0.00 0.00 174.74 173.75 3cfq s ALA 91 N -3.98 3.61 -0.11 -1.40 0.00 -0.43 -4.92 121.76 114.53 3cfq s ALA 91 Ca 0.19 -0.50 -0.04 0.00 0.00 0.00 0.00 51.96 51.62 3cfq s ALA 91 Cb 0.01 -2.35 -0.03 0.00 0.00 0.00 0.00 23.12 20.75 3cfq s ALA 91 CO 0.04 0.11 0.02 -1.21 0.00 0.00 0.00 175.76 174.73 3cfq s GLU 92 N 0.41 3.26 -0.26 0.00 2.02 -1.26 -0.25 118.70 122.62 3cfq s GLU 92 Ca 0.15 -0.37 0.00 0.00 0.02 0.00 0.00 54.97 54.77 3cfq s GLU 92 Cb -0.13 -2.92 0.08 0.00 0.10 0.00 0.00 34.13 31.26 3cfq s GLU 92 CO 0.03 0.60 0.01 0.08 0.02 0.00 0.00 175.26 176.01 3cfq s VAL 93 N -0.59 1.30 -0.16 2.63 1.01 0.13 -4.98 120.40 119.73 3cfq s VAL 93 Ca 0.10 -1.31 -0.03 0.00 0.00 0.00 0.00 61.98 60.74 3cfq s VAL 93 Cb -0.12 -1.76 -0.02 0.00 0.00 0.00 0.00 36.38 34.48 3cfq s VAL 93 CO 0.02 -0.33 -0.05 -0.69 0.00 0.00 0.00 175.10 174.05 3cfq s VAL 94 N 1.46 3.67 0.16 2.92 1.01 -1.26 -0.21 120.40 128.16 3cfq s VAL 94 Ca 0.01 -0.43 -0.20 0.00 0.00 0.00 0.00 61.98 61.37 3cfq s VAL 94 Cb -0.18 -2.61 0.05 0.00 0.00 0.00 0.00 36.38 33.64 3cfq s VAL 94 CO -0.12 0.48 0.53 0.72 0.00 0.00 0.00 175.10 176.72 3cfq s PHE 95 N 0.57 -0.33 -0.25 5.22 -0.71 -0.44 -5.00 117.98 117.03 3cfq s PHE 95 Ca -0.04 0.04 -0.11 0.00 -1.04 0.00 0.00 56.93 55.79 3cfq s PHE 95 Cb -0.15 0.44 -0.05 0.00 -1.21 0.00 0.00 43.02 42.06 3cfq s PHE 95 CO 0.03 -0.84 0.19 0.99 -1.34 0.00 0.00 175.22 174.24 3cfq s THR 96 N -3.80 5.33 0.03 -4.49 2.01 -1.26 -0.24 115.64 113.21 3cfq s THR 96 Ca 0.04 0.21 -0.30 0.00 0.31 0.00 0.00 61.69 61.94 3cfq s THR 96 Cb -0.00 -3.53 -0.04 0.00 0.01 0.00 0.00 72.50 68.94 3cfq s THR 96 CO -0.09 0.30 1.02 0.00 -0.69 0.00 0.00 174.62 175.16 3cfq s ALA 97 N 1.37 3.22 -0.04 7.40 0.00 0.33 -4.94 121.76 129.09 3cfq s ALA 97 Ca 0.08 0.61 -0.00 0.00 0.00 0.00 0.00 51.96 52.65 3cfq s ALA 97 Cb -0.15 -3.35 0.03 0.00 0.00 0.00 0.00 23.12 19.65 3cfq s ALA 97 CO 0.07 -0.24 -0.00 1.21 0.00 0.00 0.00 175.76 176.80 3cfq s ASN 98 N 0.85 0.88 0.40 0.00 2.47 -1.26 -2.48 114.94 115.81 3cfq s ASN 98 Ca 0.52 -0.05 0.20 0.00 0.42 0.00 0.00 52.86 53.95 3cfq s ASN 98 Cb -0.23 -0.31 0.84 0.00 -1.45 0.00 0.00 41.25 40.10 3cfq s ASN 98 CO 0.29 -0.13 1.82 0.44 -3.72 0.00 0.00 177.10 175.79 3cfq h ASP 99 N 7.63 0.00 0.00 -4.21 3.32 -1.98 -3.44 116.42 117.74 3cfq h ASP 99 Ca -0.33 0.00 -0.65 0.00 0.02 0.00 0.00 57.03 56.07 3cfq h ASP 99 Cb 1.13 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.69 3cfq h ASP 99 CO 0.39 0.32 2.83 -1.54 -1.72 0.00 0.00 179.24 179.51 3cfq n SER 100 N -3.64 3.86 -3.59 6.45 3.41 -1.26 -4.98 113.62 113.87 3cfq n SER 100 Ca -0.01 -2.71 0.00 0.00 -0.26 0.00 0.00 58.87 55.89 3cfq n SER 100 Cb 0.44 -1.39 0.00 0.00 -0.26 0.00 0.00 64.21 63.00 3cfq n SER 100 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 3cfq n PRO 102 N 6.07 -0.10 0.00 4.33 -0.02 -1.26 -5.21 135.00 138.80 3cfq n PRO 102 Ca 0.53 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 3cfq n PRO 102 Cb 0.36 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.84 3cfq n PRO 102 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3cfq n ARG 103 N -0.74 0.00 -3.84 -0.52 3.00 -0.89 -4.89 116.66 108.78 3cfq n ARG 103 Ca 0.00 0.00 -0.27 0.00 -0.01 0.00 0.00 57.85 57.57 3cfq n ARG 103 Cb 0.00 -0.08 -0.17 0.00 0.00 0.00 0.00 32.46 32.21 3cfq n ARG 103 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 3cfq s ARG 104 N 0.00 1.14 -0.26 5.56 0.52 -0.12 -4.80 118.95 121.00 3cfq s ARG 104 Ca 0.00 -0.42 -0.15 0.00 -0.52 0.00 0.00 55.73 54.65 3cfq s ARG 104 Cb 0.00 -1.89 -0.04 0.00 0.52 0.00 0.00 34.95 33.54 3cfq s ARG 104 CO 0.00 -0.46 0.36 0.71 0.02 0.00 0.00 175.30 175.93 3cfq s TYR 105 N 1.73 3.27 -0.28 -0.53 2.02 0.66 -2.24 117.35 121.98 3cfq s TYR 105 Ca 0.01 0.43 -0.07 0.00 -0.37 0.00 0.00 57.07 57.07 3cfq s TYR 105 Cb -0.15 -2.54 0.00 0.00 -0.40 0.00 0.00 41.96 38.87 3cfq s TYR 105 CO -0.07 -0.18 0.07 0.99 -1.57 0.00 0.00 175.55 174.79 3cfq s THR 106 N 1.88 3.95 -0.46 -0.71 2.01 -0.10 0.06 115.64 122.28 3cfq s THR 106 Ca 0.15 -0.61 -0.17 0.00 0.31 0.00 0.00 61.69 61.36 3cfq s THR 106 Cb -0.15 -2.99 0.04 0.00 0.01 0.00 0.00 72.50 69.41 3cfq s THR 106 CO 0.09 0.14 0.48 -0.63 -0.69 0.00 0.00 174.62 174.02 3cfq s ILE 107 N 1.51 5.06 -0.07 1.82 -1.09 0.94 -0.69 121.20 128.68 3cfq s ILE 107 Ca 0.03 -0.57 -0.03 0.00 -2.23 0.00 0.00 60.65 57.85 3cfq s ILE 107 Cb -0.17 -4.14 -0.04 0.00 -1.58 0.00 0.00 42.46 36.54 3cfq s ILE 107 CO 0.02 -0.58 0.08 0.00 -1.23 0.00 0.00 174.94 173.24 3cfq s ALA 108 N 2.16 3.61 -0.03 9.38 0.00 -0.23 -0.80 121.76 135.86 3cfq s ALA 108 Ca 0.11 -0.76 0.00 0.00 0.00 0.00 0.00 51.96 51.31 3cfq s ALA 108 Cb -0.19 -1.70 0.02 0.00 0.00 0.00 0.00 23.12 21.25 3cfq s ALA 108 CO 0.11 0.64 -0.00 0.00 0.00 0.00 0.00 175.76 176.51 3cfq s ALA 109 N -1.04 0.29 -0.20 0.00 0.00 0.13 -1.10 121.76 119.84 3cfq s ALA 109 Ca 0.17 0.15 -0.06 0.00 0.00 0.00 0.00 51.96 52.22 3cfq s ALA 109 Cb -0.12 -0.28 -0.03 0.00 0.00 0.00 0.00 23.12 22.69 3cfq s ALA 109 CO 0.07 -0.06 0.02 -1.17 0.00 0.00 0.00 175.76 174.63 3cfq s LEU 110 N 0.90 3.45 -0.12 0.00 2.96 0.20 -0.49 118.68 125.58 3cfq s LEU 110 Ca -0.09 -0.11 -0.01 0.00 -0.22 0.00 0.00 54.13 53.70 3cfq s LEU 110 Cb -0.12 -1.87 -0.03 0.00 0.50 0.00 0.00 46.19 44.67 3cfq s LEU 110 CO -0.02 0.10 -0.07 -0.76 -1.32 0.00 0.00 176.35 174.28 3cfq s LEU 111 N 0.81 3.09 0.20 -0.68 1.43 0.61 -1.91 118.68 122.22 3cfq s LEU 111 Ca 0.02 -0.14 0.07 0.00 -1.03 0.00 0.00 54.13 53.04 3cfq s LEU 111 Cb -0.14 -1.71 -0.05 0.00 0.03 0.00 0.00 46.19 44.32 3cfq s LEU 111 CO 0.02 0.24 -0.12 -0.44 0.23 0.00 0.00 176.35 176.28 3cfq s SER 112 N -0.06 2.36 0.29 2.29 0.01 0.84 -0.60 113.70 118.85 3cfq s SER 112 Ca 0.00 -1.04 0.04 0.00 1.31 0.00 0.00 55.95 56.26 3cfq s SER 112 Cb -0.13 -0.10 0.66 0.00 0.21 0.00 0.00 66.02 66.66 3cfq s SER 112 CO 0.03 -0.24 1.80 -0.65 0.41 0.00 0.00 173.24 174.59 3cfq h PRO 113 N 2.58 0.84 -0.14 12.44 0.11 -1.99 -3.01 132.00 142.83 3cfq h PRO 113 Ca -0.38 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3cfq h PRO 113 Cb 1.21 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.13 3cfq h PRO 113 CO 0.63 0.56 0.00 0.66 -0.21 0.00 0.00 178.00 179.64 3cfq n TYR 114 N -4.70 0.24 -3.67 0.65 4.01 -1.26 -0.57 117.16 111.85 3cfq n TYR 114 Ca 0.22 -0.57 -0.15 0.00 -0.16 0.00 0.00 57.90 57.23 3cfq n TYR 114 Cb 0.48 -0.07 -0.08 0.00 -0.31 0.00 0.00 39.34 39.36 3cfq n TYR 114 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3cfq s SER 115 N -1.24 -0.38 -0.01 7.72 0.15 -1.14 -4.94 113.70 113.86 3cfq s SER 115 Ca 0.14 0.39 -0.13 0.00 0.70 0.00 0.00 55.95 57.06 3cfq s SER 115 Cb 0.09 0.46 0.02 0.00 -1.71 0.00 0.00 66.02 64.88 3cfq s SER 115 CO 0.07 -0.47 0.26 -0.72 1.20 0.00 0.00 173.24 173.57 3cfq s TYR 116 N -1.12 -0.11 0.11 3.44 1.13 -1.26 -0.11 117.35 119.43 3cfq s TYR 116 Ca -0.11 0.14 0.10 0.00 -1.41 0.00 0.00 57.07 55.78 3cfq s TYR 116 Cb -0.03 0.05 -0.04 0.00 -1.10 0.00 0.00 41.96 40.84 3cfq s TYR 116 CO 0.06 -0.37 -0.25 -1.54 -2.51 0.00 0.00 175.55 170.95 3cfq s SER 117 N -1.38 3.00 0.00 -0.18 1.04 -0.80 -4.99 113.70 110.39 3cfq s SER 117 Ca -0.14 -0.71 0.01 0.00 0.48 0.00 0.00 55.95 55.60 3cfq s SER 117 Cb -0.06 -0.19 -0.01 0.00 0.10 0.00 0.00 66.02 65.86 3cfq s SER 117 CO 0.03 0.14 -0.05 0.28 0.98 0.00 0.00 173.24 174.63 3cfq s THR 118 N -1.08 0.34 0.05 2.02 -1.32 -1.26 -0.63 115.64 113.77 3cfq s THR 118 Ca 0.11 -0.34 0.04 0.00 -1.21 0.00 0.00 61.69 60.29 3cfq s THR 118 Cb -0.10 -0.32 -0.03 0.00 -1.51 0.00 0.00 72.50 70.54 3cfq s THR 118 CO 0.05 -0.00 -0.11 -0.89 -2.21 0.00 0.00 174.62 171.45 3cfq s THR 119 N -0.34 0.87 -0.21 5.08 2.01 -0.26 -4.99 115.64 117.81 3cfq s THR 119 Ca -0.01 -1.16 -0.08 0.00 0.31 0.00 0.00 61.69 60.75 3cfq s THR 119 Cb -0.03 -0.87 -0.04 0.00 0.01 0.00 0.00 72.50 71.57 3cfq s THR 119 CO -0.00 -0.25 0.08 0.00 -0.69 0.00 0.00 174.62 173.76 3cfq s ALA 120 N -1.24 3.39 -0.40 7.40 0.00 -1.26 -1.06 121.76 128.59 3cfq s ALA 120 Ca -0.05 -0.86 -0.07 0.00 0.00 0.00 0.00 51.96 50.99 3cfq s ALA 120 Cb -0.10 -2.03 0.08 0.00 0.00 0.00 0.00 23.12 21.07 3cfq s ALA 120 CO 0.01 -0.04 0.21 0.08 0.00 0.00 0.00 175.76 176.02 3cfq s VAL 121 N 0.77 3.89 -0.25 0.00 1.01 0.13 -4.98 120.40 120.98 3cfq s VAL 121 Ca 0.04 -1.49 -0.05 0.00 0.00 0.00 0.00 61.98 60.49 3cfq s VAL 121 Cb -0.13 -3.40 0.00 0.00 0.00 0.00 0.00 36.38 32.85 3cfq s VAL 121 CO 0.02 -0.46 0.01 -0.69 0.00 0.00 0.00 175.10 173.98 3cfq s VAL 122 N 1.35 3.60 0.21 2.92 1.01 -1.26 -0.92 120.40 127.31 3cfq s VAL 122 Ca 0.03 -0.61 0.02 0.00 0.00 0.00 0.00 61.98 61.41 3cfq s VAL 122 Cb -0.22 -2.75 -0.05 0.00 0.00 0.00 0.00 36.38 33.35 3cfq s VAL 122 CO 0.01 0.26 0.02 0.42 0.00 0.00 0.00 175.10 175.80 3cfq s THR 123 N 1.48 0.76 -2.64 3.92 -4.23 -0.95 -4.82 115.64 109.16 3cfq s THR 123 Ca 0.04 -2.00 0.27 0.00 -1.18 0.00 0.00 61.69 58.82 3cfq s THR 123 Cb -0.16 -2.30 0.45 0.00 1.34 0.00 0.00 72.50 71.84 3cfq s THR 123 CO -0.01 -0.33 1.61 0.59 -0.54 0.00 0.00 174.62 175.94