#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 -3.80 0.00 0.13 -1.89 -3.44 132.00 123.00 3cfq h PRO 11 Ca 0.00 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.66 3cfq h PRO 11 Cb 0.00 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 30.75 3cfq h PRO 11 CO 0.00 0.65 -0.77 -1.17 -0.23 0.00 0.00 178.00 176.47 3cfq s LEU 12 N -6.46 0.86 0.09 1.56 2.96 -1.26 0.19 118.68 116.62 3cfq s LEU 12 Ca 0.02 -0.29 0.06 0.00 -0.22 0.00 0.00 54.13 53.70 3cfq s LEU 12 Cb 0.08 -0.57 -0.03 0.00 0.50 0.00 0.00 46.19 46.17 3cfq s LEU 12 CO 0.78 -0.20 -0.15 -0.04 -1.32 0.00 0.00 176.35 175.42 3cfq s MET 13 N 1.88 0.90 -0.06 1.98 -1.94 0.19 -4.39 119.30 117.86 3cfq s MET 13 Ca 0.04 -1.04 0.03 0.00 -1.71 0.00 0.00 55.69 53.01 3cfq s MET 13 Cb -0.13 -0.90 0.01 0.00 2.01 0.00 0.00 34.83 35.82 3cfq s MET 13 CO -0.06 0.19 -0.15 0.08 -0.01 0.00 0.00 175.02 175.07 3cfq s VAL 14 N -1.47 1.31 -0.07 -6.03 1.01 -0.90 -0.46 120.40 113.78 3cfq s VAL 14 Ca 0.01 -0.60 0.04 0.00 0.00 0.00 0.00 61.98 61.44 3cfq s VAL 14 Cb -0.09 -1.17 -0.00 0.00 0.00 0.00 0.00 36.38 35.13 3cfq s VAL 14 CO 0.03 0.39 -0.21 -0.75 0.00 0.00 0.00 175.10 174.55 3cfq s LYS 15 N 0.45 2.49 -0.04 2.72 2.20 -0.19 -0.27 119.74 127.11 3cfq s LYS 15 Ca -0.12 -0.78 0.03 0.00 -0.36 0.00 0.00 55.97 54.75 3cfq s LYS 15 Cb -0.15 -2.00 0.00 0.00 -1.51 0.00 0.00 37.83 34.17 3cfq s LYS 15 CO 0.04 0.23 -0.14 0.08 -0.36 0.00 0.00 175.35 175.20 3cfq s VAL 16 N 0.18 1.19 0.16 4.02 1.01 -0.05 -0.83 120.40 126.09 3cfq s VAL 16 Ca -0.11 -0.57 0.11 0.00 0.00 0.00 0.00 61.98 61.41 3cfq s VAL 16 Cb -0.15 -1.05 -0.04 0.00 0.00 0.00 0.00 36.38 35.14 3cfq s VAL 16 CO 0.06 0.35 -0.22 -0.76 0.00 0.00 0.00 175.10 174.53 3cfq s LEU 17 N 0.22 2.50 -0.31 3.92 1.43 -0.14 -1.36 118.68 124.94 3cfq s LEU 17 Ca -0.06 -0.74 -0.10 0.00 -1.03 0.00 0.00 54.13 52.20 3cfq s LEU 17 Cb -0.12 -1.31 -0.00 0.00 0.03 0.00 0.00 46.19 44.79 3cfq s LEU 17 CO 0.02 0.15 0.15 -0.62 0.23 0.00 0.00 176.35 176.28 3cfq s ASP 18 N -2.39 5.55 0.07 2.29 -1.08 0.12 -1.15 116.67 120.08 3cfq s ASP 18 Ca 0.18 -0.55 0.28 0.00 -0.52 0.00 0.00 52.55 51.94 3cfq s ASP 18 Cb -0.09 -2.00 1.05 0.00 -1.46 0.00 0.00 42.92 40.42 3cfq s ASP 18 CO 0.09 -0.20 1.85 0.00 0.52 0.00 0.00 175.17 177.43 3cfq n ALA 19 N 4.98 2.37 0.01 3.66 0.00 -0.23 -1.41 120.51 129.88 3cfq n ALA 19 Ca -0.14 -0.09 -0.22 0.00 0.00 0.00 0.00 53.44 53.00 3cfq n ALA 19 Cb 0.49 -1.45 -0.14 0.00 0.00 0.00 0.00 19.45 18.35 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 0.98 0.00 0.00 2.07 -1.94 -3.39 116.25 113.97 3cfq h VAL 20 Ca 0.00 -2.39 0.00 0.00 0.82 0.00 0.00 66.70 65.13 3cfq h VAL 20 Cb 0.59 2.68 0.00 0.00 -1.52 0.00 0.00 31.29 33.03 3cfq h VAL 20 CO 0.00 0.72 -1.07 0.54 0.02 0.00 0.00 177.57 177.78 3cfq n ARG 21 N -3.88 0.24 -3.26 1.57 1.74 -1.23 -4.98 116.66 106.86 3cfq n ARG 21 Ca -0.26 -0.02 -0.16 0.00 -0.77 0.00 0.00 57.85 56.64 3cfq n ARG 21 Cb 0.92 -1.56 0.07 0.00 -1.02 0.00 0.00 32.46 30.87 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 1.40 -0.25 3.31 -0.13 0.00 -0.50 -5.03 105.19 103.99 3cfq n GLY 22 Ca 0.02 0.03 -0.09 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.89 0.05 0.40 1.61 1.04 -1.12 -5.01 113.70 106.79 3cfq s SER 23 Ca 0.14 -0.84 -0.27 0.00 0.48 0.00 0.00 55.95 55.47 3cfq s SER 23 Cb -0.06 0.42 -0.10 0.00 0.10 0.00 0.00 66.02 66.37 3cfq s SER 23 CO 0.61 -0.86 1.34 -0.81 0.98 0.00 0.00 173.24 174.49 3cfq n PRO 24 N -0.19 2.16 -2.77 4.02 -0.04 -1.26 0.13 135.00 137.05 3cfq n PRO 24 Ca -0.09 0.76 -0.43 0.00 -0.04 0.00 0.00 63.50 63.71 3cfq n PRO 24 Cb 0.63 -2.45 -0.04 0.00 -0.04 0.00 0.00 33.50 31.60 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 -1.16 3.14 0.02 0.55 0.00 -0.46 -4.61 121.76 119.25 3cfq s ALA 25 Ca 0.58 -1.03 -0.11 0.00 0.00 0.00 0.00 51.96 51.40 3cfq s ALA 25 Cb -0.51 -3.78 -0.05 0.00 0.00 0.00 0.00 23.12 18.77 3cfq s ALA 25 CO 0.60 -2.37 0.36 0.42 0.00 0.00 0.00 175.76 174.78 3cfq s ILE 26 N 4.13 5.14 -1.51 0.00 1.01 -1.26 -4.27 121.20 124.44 3cfq s ILE 26 Ca 0.35 0.53 -0.01 0.00 0.00 0.00 0.00 60.65 61.52 3cfq s ILE 26 Cb -0.11 -3.63 0.00 0.00 0.01 0.00 0.00 42.46 38.73 3cfq s ILE 26 CO 0.23 0.43 0.14 -3.20 0.00 0.00 0.00 174.94 172.53 3cfq n ASN 27 N 1.36 -5.36 -4.65 3.58 5.15 -0.57 -4.96 115.26 109.80 3cfq n ASN 27 Ca -0.12 -0.08 -0.43 0.00 -0.60 0.00 0.00 54.58 53.36 3cfq n ASN 27 Cb 0.53 -4.37 -0.03 0.00 -0.53 0.00 0.00 39.78 35.39 3cfq n ASN 27 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3cfq s VAL 28 N -2.96 4.70 0.26 3.44 1.01 -1.26 -4.76 120.40 120.84 3cfq s VAL 28 Ca 0.07 1.89 -0.29 0.00 0.00 0.00 0.00 61.98 63.64 3cfq s VAL 28 Cb -0.03 -4.27 -0.09 0.00 0.00 0.00 0.00 36.38 31.99 3cfq s VAL 28 CO 0.08 -0.18 1.18 0.00 0.00 0.00 0.00 175.10 176.18 3cfq s ALA 29 N 3.15 3.44 -0.06 5.51 0.00 -1.26 -1.46 121.76 131.08 3cfq s ALA 29 Ca 0.42 1.00 0.01 0.00 0.00 0.00 0.00 51.96 53.38 3cfq s ALA 29 Cb -0.15 -3.39 0.02 0.00 0.00 0.00 0.00 23.12 19.61 3cfq s ALA 29 CO 0.07 -0.33 -0.06 0.08 0.00 0.00 0.00 175.76 175.52 3cfq s VAL 30 N -0.83 0.74 -0.12 0.00 1.01 0.19 -0.69 120.40 120.70 3cfq s VAL 30 Ca 0.48 -0.21 0.02 0.00 0.00 0.00 0.00 61.98 62.26 3cfq s VAL 30 Cb -0.34 -0.74 -0.01 0.00 0.00 0.00 0.00 36.38 35.29 3cfq s VAL 30 CO 0.42 0.28 -0.18 -1.00 0.00 0.00 0.00 175.10 174.62 3cfq s HIS 31 N 1.03 2.71 -0.13 5.22 3.76 -0.11 -1.39 115.29 126.38 3cfq s HIS 31 Ca -0.09 -0.87 -0.02 0.00 -0.15 0.00 0.00 55.06 53.93 3cfq s HIS 31 Cb -0.14 -1.80 -0.03 0.00 1.11 0.00 0.00 32.58 31.72 3cfq s HIS 31 CO -0.00 -0.34 -0.06 0.08 -0.85 0.00 0.00 174.74 173.57 3cfq s VAL 32 N 0.42 3.70 0.17 -0.90 1.01 0.27 -0.30 120.40 124.77 3cfq s VAL 32 Ca -0.13 -0.44 0.09 0.00 0.00 0.00 0.00 61.98 61.50 3cfq s VAL 32 Cb -0.17 -2.58 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 3cfq s VAL 32 CO 0.06 0.53 -0.19 -0.36 0.00 0.00 0.00 175.10 175.14 3cfq s PHE 33 N 0.03 1.91 -0.04 5.22 0.08 0.00 -0.23 117.98 124.95 3cfq s PHE 33 Ca -0.01 -0.45 0.04 0.00 0.12 0.00 0.00 56.93 56.64 3cfq s PHE 33 Cb -0.14 -0.95 -0.00 0.00 -0.57 0.00 0.00 43.02 41.36 3cfq s PHE 33 CO 0.03 0.37 -0.17 0.50 -0.10 0.00 0.00 175.22 175.85 3cfq s ARG 34 N -2.79 1.74 -0.07 0.44 3.52 0.62 -0.86 118.95 121.55 3cfq s ARG 34 Ca 0.17 -0.59 -0.30 0.00 -0.13 0.00 0.00 55.73 54.88 3cfq s ARG 34 Cb -0.06 -1.52 -0.04 0.00 -1.56 0.00 0.00 34.95 31.76 3cfq s ARG 34 CO 0.07 0.24 1.51 0.21 -0.81 0.00 0.00 175.30 176.52 3cfq s LYS 35 N 0.05 4.21 0.78 5.12 2.20 -0.08 -0.77 119.74 131.25 3cfq s LYS 35 Ca -0.04 2.02 -0.08 0.00 -0.36 0.00 0.00 55.97 57.51 3cfq s LYS 35 Cb -0.11 -3.85 0.12 0.00 -1.51 0.00 0.00 37.83 32.47 3cfq s LYS 35 CO 0.02 -0.77 1.10 0.00 -0.36 0.00 0.00 175.35 175.34 3cfq s ALA 36 N 3.61 3.03 0.36 3.13 0.00 0.10 -4.68 121.76 127.31 3cfq s ALA 36 Ca 0.67 -1.20 0.11 0.00 0.00 0.00 0.00 51.96 51.54 3cfq s ALA 36 Cb -0.30 -2.51 0.89 0.00 0.00 0.00 0.00 23.12 21.21 3cfq s ALA 36 CO 0.25 -1.66 1.83 0.00 0.00 0.00 0.00 175.76 176.18 3cfq h ALA 37 N -0.88 1.93 -0.31 0.00 0.00 -1.95 -1.58 119.26 116.47 3cfq h ALA 37 Ca -0.42 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3cfq h ALA 37 Cb 1.28 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3cfq h ALA 37 CO 0.49 -0.23 0.00 -0.40 0.00 0.00 0.00 179.25 179.11 3cfq n ASP 38 N -4.61 1.96 0.00 0.00 5.68 -1.26 -4.91 116.55 113.42 3cfq n ASP 38 Ca 0.20 -2.07 0.00 0.00 -0.50 0.00 0.00 54.79 52.42 3cfq n ASP 38 Cb 0.60 -0.28 0.00 0.00 -1.14 0.00 0.00 41.12 40.30 3cfq n ASP 38 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3cfq n ASP 39 N 0.41 -3.39 -4.91 -1.12 9.92 -0.60 -5.04 116.55 111.83 3cfq n ASP 39 Ca 0.11 0.00 -0.29 0.00 -0.53 0.00 0.00 54.79 54.08 3cfq n ASP 39 Cb 0.34 -0.97 -0.03 0.00 -0.64 0.00 0.00 41.12 39.82 3cfq n ASP 39 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 3cfq s THR 40 N -1.89 5.09 -0.58 -3.53 -4.23 -1.26 -4.81 115.64 104.44 3cfq s THR 40 Ca 0.00 -0.06 -0.26 0.00 -1.18 0.00 0.00 61.69 60.19 3cfq s THR 40 Cb 0.00 -3.71 0.04 0.00 1.34 0.00 0.00 72.50 70.17 3cfq s THR 40 CO 0.00 -0.21 1.07 0.26 -0.54 0.00 0.00 174.62 175.20 3cfq s TRP 41 N -1.94 2.67 0.01 3.99 0.52 -1.26 -0.72 118.94 122.21 3cfq s TRP 41 Ca 0.42 0.14 -0.20 0.00 0.02 0.00 0.00 56.10 56.48 3cfq s TRP 41 Cb -0.11 -4.31 -0.06 0.00 -1.15 0.00 0.00 33.47 27.84 3cfq s TRP 41 CO 0.28 -1.52 0.58 -1.21 0.02 0.00 0.00 176.95 175.11 3cfq s GLU 42 N 4.51 4.28 0.17 4.98 0.41 0.05 -4.86 118.70 128.23 3cfq s GLU 42 Ca 0.36 0.72 -0.32 0.00 -0.41 0.00 0.00 54.97 55.32 3cfq s GLU 42 Cb -0.10 -3.32 -0.12 0.00 -1.78 0.00 0.00 34.13 28.81 3cfq s GLU 42 CO 0.21 0.43 1.74 -2.30 -0.49 0.00 0.00 175.26 174.86 3cfq n PRO 43 N 2.50 2.67 -0.05 0.39 -0.02 -1.26 -0.28 135.00 138.95 3cfq n PRO 43 Ca -0.08 0.97 -0.10 0.00 -2.02 0.00 0.00 63.50 62.27 3cfq n PRO 43 Cb 0.51 -2.82 -0.04 0.00 -0.02 0.00 0.00 33.50 31.14 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 4.50 0.00 -3.49 6.00 7.35 0.68 -4.80 117.46 127.69 3cfq n PHE 44 Ca 0.17 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.74 3cfq n PHE 44 Cb 0.34 -0.36 -0.03 0.00 0.35 0.00 0.00 39.48 39.79 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 -2.18 -1.76 0.07 3.13 0.00 -0.85 -5.00 121.76 115.16 3cfq s ALA 45 Ca -0.14 1.01 -0.14 0.00 0.00 0.00 0.00 51.96 52.69 3cfq s ALA 45 Cb 0.05 0.30 0.02 0.00 0.00 0.00 0.00 23.12 23.49 3cfq s ALA 45 CO 0.18 -0.58 0.33 -1.54 0.00 0.00 0.00 175.76 174.15 3cfq s SER 46 N -2.06 -0.15 0.00 0.00 1.04 -1.26 0.94 113.70 112.21 3cfq s SER 46 Ca -0.01 -0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.17 3cfq s SER 46 Cb -0.01 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.51 3cfq s SER 46 CO -0.04 -0.70 0.00 0.61 0.98 0.00 0.00 173.24 174.08 3cfq n GLY 47 N 0.27 1.19 2.92 7.32 0.00 -0.48 -4.98 105.19 111.42 3cfq n GLY 47 Ca -0.17 -0.87 -0.14 0.00 0.00 0.00 0.00 46.02 44.84 3cfq n GLY 47 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3cfq s LYS 48 N -1.64 0.22 0.49 1.61 2.20 -1.26 -0.64 119.74 120.72 3cfq s LYS 48 Ca 0.00 -0.11 -0.22 0.00 -0.36 0.00 0.00 55.97 55.28 3cfq s LYS 48 Cb 0.00 -0.20 -0.06 0.00 -1.51 0.00 0.00 37.83 36.05 3cfq s LYS 48 CO 0.00 0.05 1.21 0.95 -0.36 0.00 0.00 175.35 177.20 3cfq s THR 49 N -0.09 2.86 0.00 3.43 -4.23 -0.53 -4.74 115.64 112.34 3cfq s THR 49 Ca 0.01 0.63 0.00 0.00 -1.18 0.00 0.00 61.69 61.15 3cfq s THR 49 Cb -0.01 -3.31 0.00 0.00 1.34 0.00 0.00 72.50 70.52 3cfq s THR 49 CO -0.00 -0.02 0.00 -1.54 -0.54 0.00 0.00 174.62 172.52 3cfq n SER 50 N -0.73 0.00 0.25 3.99 3.41 -0.41 -1.52 113.62 118.61 3cfq n SER 50 Ca 0.09 -0.71 0.09 0.00 -0.26 0.00 0.00 58.87 58.07 3cfq n SER 50 Cb 0.48 0.00 0.64 0.00 -0.26 0.00 0.00 64.21 65.07 3cfq n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3cfq h GLU 51 N 0.00 0.00 -0.01 4.33 4.39 -1.94 -0.59 114.58 120.77 3cfq h GLU 51 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3cfq h GLU 51 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3cfq h GLU 51 CO 0.00 0.11 -0.01 -1.13 -1.16 0.00 0.00 179.01 176.82 3cfq n SER 52 N -4.11 0.69 -0.24 1.42 3.41 -1.26 -4.76 113.62 108.77 3cfq n SER 52 Ca -0.02 -1.16 -0.03 0.00 -0.26 0.00 0.00 58.87 57.39 3cfq n SER 52 Cb 0.20 -0.01 -0.01 0.00 -0.26 0.00 0.00 64.21 64.13 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 1.11 0.62 3.65 5.00 0.00 -0.23 -4.77 105.19 110.57 3cfq n GLY 53 Ca 0.21 -0.50 -0.31 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.67 2.53 -0.18 1.61 2.02 -1.26 -0.87 118.70 120.89 3cfq s GLU 54 Ca 0.00 -0.80 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 0.56 -0.07 -1.17 0.02 0.00 0.00 175.26 174.60 3cfq s LEU 55 N -1.98 1.87 0.43 1.80 2.96 0.63 -1.29 118.68 123.10 3cfq s LEU 55 Ca 0.22 -0.75 0.06 0.00 -0.22 0.00 0.00 54.13 53.45 3cfq s LEU 55 Cb -0.11 -1.04 -0.06 0.00 0.50 0.00 0.00 46.19 45.48 3cfq s LEU 55 CO 0.14 -0.17 0.08 -1.00 -1.32 0.00 0.00 176.35 174.09 3cfq s HIS 56 N 1.54 2.44 -1.33 5.38 3.76 -1.26 -2.13 115.29 123.69 3cfq s HIS 56 Ca 0.00 -0.68 -0.00 0.00 -0.15 0.00 0.00 55.06 54.23 3cfq s HIS 56 Cb -0.16 -1.83 0.00 0.00 1.11 0.00 0.00 32.58 31.71 3cfq s HIS 56 CO -0.08 0.30 0.00 0.41 -0.85 0.00 0.00 174.74 174.52 3cfq n GLY 57 N -1.13 -0.27 0.25 -2.22 0.00 -1.26 -4.92 105.19 95.64 3cfq n GLY 57 Ca -0.05 -0.23 -0.14 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.00 0.96 -8.48 0.99 3.38 -1.88 -3.48 115.31 106.81 3cfq h LEU 58 Ca -0.37 -0.51 -0.25 0.00 0.09 0.00 0.00 57.88 56.84 3cfq h LEU 58 Cb 1.27 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 41.68 3cfq h LEU 58 CO 0.44 1.29 -0.15 0.28 0.09 0.00 0.00 178.44 180.38 3cfq s THR 59 N -4.20 0.00 0.33 0.22 -1.32 -1.26 -4.77 115.64 104.64 3cfq s THR 59 Ca -0.11 -1.55 0.09 0.00 -1.21 0.00 0.00 61.69 58.91 3cfq s THR 59 Cb 0.10 -2.65 -0.05 0.00 -1.51 0.00 0.00 72.50 68.40 3cfq s THR 59 CO 0.88 0.00 0.08 0.42 -2.21 0.00 0.00 174.62 173.79 3cfq s THR 60 N -3.02 2.90 0.26 5.08 -4.23 -1.26 -4.68 115.64 110.69 3cfq s THR 60 Ca 0.29 -1.83 -0.03 0.00 -1.18 0.00 0.00 61.69 58.95 3cfq s THR 60 Cb -0.01 -2.89 0.24 0.00 1.34 0.00 0.00 72.50 71.18 3cfq s THR 60 CO 0.19 -0.21 1.83 1.05 -0.54 0.00 0.00 174.62 176.95 3cfq h GLU 61 N 1.68 0.90 -0.56 3.99 -0.00 -2.00 -1.27 114.58 117.32 3cfq h GLU 61 Ca -0.43 -0.05 -0.10 0.00 -0.00 0.00 0.00 59.36 58.77 3cfq h GLU 61 Cb 1.25 -0.20 -0.02 0.00 -0.00 0.00 0.00 28.75 29.78 3cfq h GLU 61 CO 0.64 0.59 -0.03 0.93 -0.00 0.00 0.00 179.01 181.14 3cfq h GLU 62 N 0.92 1.01 0.00 1.06 5.08 -2.03 -3.22 114.58 117.40 3cfq h GLU 62 Ca 0.42 -0.34 -0.16 0.00 -1.00 0.00 0.00 59.36 58.28 3cfq h GLU 62 Cb 0.33 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 3cfq h GLU 62 CO -0.23 1.02 -0.77 0.93 -1.00 0.00 0.00 179.01 178.96 3cfq h GLU 63 N 0.89 0.00 -3.79 2.33 4.39 -1.91 -3.38 114.58 113.11 3cfq h GLU 63 Ca 0.15 0.00 -0.72 0.00 0.34 0.00 0.00 59.36 59.13 3cfq h GLU 63 Cb 0.59 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.17 3cfq h GLU 63 CO 0.04 0.77 2.92 0.34 -1.16 0.00 0.00 179.01 181.92 3cfq n PHE 64 N -3.31 3.30 -1.95 4.33 7.35 -0.50 -4.96 117.46 121.72 3cfq n PHE 64 Ca 0.01 -2.94 -0.29 0.00 -0.76 0.00 0.00 57.45 53.46 3cfq n PHE 64 Cb 0.84 -2.40 0.16 0.00 0.35 0.00 0.00 39.48 38.43 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 2.40 2.01 0.32 -2.13 -7.23 -1.26 -4.94 120.40 109.56 3cfq s VAL 65 Ca 0.47 -0.02 -0.29 0.00 -1.81 0.00 0.00 61.98 60.32 3cfq s VAL 65 Cb 0.13 -2.99 -0.12 0.00 0.56 0.00 0.00 36.38 33.97 3cfq s VAL 65 CO -0.07 0.00 1.51 1.21 -0.31 0.00 0.00 175.10 177.44 3cfq n GLU 66 N -3.65 2.54 -3.32 4.82 0.00 -1.26 -4.78 120.64 115.00 3cfq n GLU 66 Ca 0.14 0.90 0.00 0.00 0.00 0.00 0.00 57.16 58.20 3cfq n GLU 66 Cb 0.60 -2.63 0.00 0.00 0.00 0.00 0.00 31.44 29.41 3cfq n GLU 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3cfq n GLY 67 N 1.53 -1.66 3.57 8.31 0.00 -1.08 -5.01 105.19 110.85 3cfq n GLY 67 Ca 0.06 -1.10 -0.39 0.00 0.00 0.00 0.00 46.02 44.59 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 -2.03 5.25 0.08 -0.61 1.01 -1.26 -0.82 121.20 122.81 3cfq s ILE 68 Ca 0.00 0.04 0.05 0.00 0.00 0.00 0.00 60.65 60.74 3cfq s ILE 68 Cb 0.00 -3.56 -0.04 0.00 0.01 0.00 0.00 42.46 38.87 3cfq s ILE 68 CO 0.00 0.18 -0.02 -0.31 0.00 0.00 0.00 174.94 174.79 3cfq s TYR 69 N 1.74 2.94 -0.17 3.97 2.02 0.58 -0.90 117.35 127.54 3cfq s TYR 69 Ca 0.07 -0.05 0.01 0.00 -0.37 0.00 0.00 57.07 56.73 3cfq s TYR 69 Cb -0.16 -1.53 0.03 0.00 -0.40 0.00 0.00 41.96 39.89 3cfq s TYR 69 CO 0.11 0.46 -0.14 0.21 -1.57 0.00 0.00 175.55 174.61 3cfq s LYS 70 N -2.18 2.37 -0.39 -0.62 2.20 -0.04 -1.28 119.74 119.80 3cfq s LYS 70 Ca 0.24 -0.67 -0.14 0.00 -0.36 0.00 0.00 55.97 55.04 3cfq s LYS 70 Cb -0.12 -2.26 0.01 0.00 -1.51 0.00 0.00 37.83 33.96 3cfq s LYS 70 CO 0.16 -0.27 0.28 0.08 -0.36 0.00 0.00 175.35 175.24 3cfq s VAL 71 N 1.43 5.23 -0.29 4.02 1.01 0.12 -0.82 120.40 131.10 3cfq s VAL 71 Ca 0.04 -0.55 -0.12 0.00 0.00 0.00 0.00 61.98 61.35 3cfq s VAL 71 Cb -0.14 -3.85 -0.04 0.00 0.00 0.00 0.00 36.38 32.36 3cfq s VAL 71 CO -0.11 -0.22 0.25 -1.61 0.00 0.00 0.00 175.10 173.41 3cfq s GLU 72 N 1.69 3.90 -0.34 2.72 2.02 0.58 -0.50 118.70 128.77 3cfq s GLU 72 Ca 0.05 -0.27 -0.10 0.00 0.02 0.00 0.00 54.97 54.67 3cfq s GLU 72 Cb -0.19 -3.68 0.00 0.00 0.10 0.00 0.00 34.13 30.37 3cfq s GLU 72 CO 0.10 -0.25 0.18 0.42 0.02 0.00 0.00 175.26 175.73 3cfq s ILE 73 N 1.85 4.66 -1.24 -1.63 1.01 0.47 -0.94 121.20 125.38 3cfq s ILE 73 Ca 0.09 -0.55 -0.18 0.00 0.00 0.00 0.00 60.65 60.01 3cfq s ILE 73 Cb -0.16 -3.45 -0.01 0.00 0.01 0.00 0.00 42.46 38.85 3cfq s ILE 73 CO 0.11 -0.04 1.98 0.47 0.00 0.00 0.00 174.94 177.46 3cfq n ASP 74 N 5.00 3.82 -0.05 3.58 8.00 0.14 -1.36 116.55 135.68 3cfq n ASP 74 Ca -0.13 -2.81 -0.10 0.00 0.71 0.00 0.00 54.79 52.45 3cfq n ASP 74 Cb 0.48 -1.59 0.04 0.00 -0.02 0.00 0.00 41.12 40.03 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 4.86 1.29 -0.07 -3.53 1.35 -1.86 -2.91 112.91 112.04 3cfq h THR 75 Ca 0.46 -1.64 -0.00 0.00 -0.55 0.00 0.00 66.41 64.68 3cfq h THR 75 Cb 0.76 1.56 -0.00 0.00 -1.73 0.00 0.00 68.15 68.73 3cfq h THR 75 CO 1.68 0.53 0.04 0.50 -0.25 0.00 0.00 175.52 178.02 3cfq h LYS 76 N 0.57 0.10 -0.99 4.72 3.64 -1.55 -1.31 116.57 121.74 3cfq h LYS 76 Ca 0.04 -0.01 0.14 0.00 -1.27 0.00 0.00 60.65 59.55 3cfq h LYS 76 Cb 1.00 -0.02 -0.09 0.00 -0.41 0.00 0.00 32.23 32.71 3cfq h LYS 76 CO 0.09 0.16 0.62 0.77 -2.27 0.00 0.00 179.45 178.82 3cfq h SER 77 N 0.01 0.85 0.48 4.20 0.02 -1.79 0.05 113.55 117.38 3cfq h SER 77 Ca 0.02 0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 61.01 3cfq h SER 77 Cb 0.09 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.52 3cfq h SER 77 CO -0.00 0.42 -0.23 0.22 -1.14 0.00 0.00 176.83 176.09 3cfq h TYR 78 N 0.89 -0.60 -0.50 3.45 3.20 -1.23 -0.95 116.97 121.24 3cfq h TYR 78 Ca 0.51 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 62.30 3cfq h TYR 78 Cb 0.63 0.20 -0.02 0.00 1.54 0.00 0.00 36.73 39.07 3cfq h TYR 78 CO -0.00 -0.30 0.03 -1.49 -1.64 0.00 0.00 178.16 174.76 3cfq h TRP 79 N -0.81 0.85 -0.43 -3.82 4.06 -1.01 -2.85 115.95 111.95 3cfq h TRP 79 Ca -0.07 -0.11 -0.02 0.00 2.06 0.00 0.00 58.89 60.75 3cfq h TRP 79 Cb 0.57 -0.24 -0.02 0.00 -1.00 0.00 0.00 29.16 28.47 3cfq h TRP 79 CO -0.01 0.77 0.18 0.87 -3.56 0.00 0.00 178.44 176.69 3cfq h LYS 80 N 0.76 0.63 0.00 0.49 1.79 -0.82 -0.45 116.57 118.97 3cfq h LYS 80 Ca 0.15 -0.11 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 3cfq h LYS 80 Cb 0.41 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 30.96 3cfq h LYS 80 CO 0.01 0.57 0.00 0.00 -1.08 0.00 0.00 179.45 178.96 3cfq n ALA 81 N -2.30 1.20 -0.51 3.86 0.00 -0.36 -1.45 120.51 120.95 3cfq n ALA 81 Ca 0.00 -0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 3cfq n ALA 81 Cb 0.14 -1.01 0.05 0.00 0.00 0.00 0.00 19.45 18.62 3cfq n ALA 81 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3cfq n LEU 82 N -1.33 1.88 -1.11 0.00 4.77 -0.78 -5.01 117.00 115.43 3cfq n LEU 82 Ca 0.00 -2.16 -0.10 0.00 -0.03 0.00 0.00 56.01 53.72 3cfq n LEU 82 Cb 0.01 -0.14 -0.01 0.00 -2.33 0.00 0.00 43.42 40.95 3cfq n LEU 82 CO 0.01 0.52 -0.13 0.61 -1.33 0.00 0.00 177.39 177.07 3cfq n GLY 83 N -0.75 0.10 3.31 -0.72 0.00 -0.53 -5.03 105.19 101.58 3cfq n GLY 83 Ca 0.05 -0.48 -0.32 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.49 2.45 -0.54 -0.61 1.01 -0.25 -5.01 121.20 115.76 3cfq s ILE 84 Ca 0.00 -0.90 -0.20 0.00 0.00 0.00 0.00 60.65 59.55 3cfq s ILE 84 Cb 0.00 -1.95 0.07 0.00 0.01 0.00 0.00 42.46 40.59 3cfq s ILE 84 CO 0.00 0.56 0.69 -0.44 0.00 0.00 0.00 174.94 175.75 3cfq s SER 85 N 0.04 6.22 0.64 3.58 0.01 -1.26 -2.82 113.70 120.11 3cfq s SER 85 Ca -0.08 -0.99 -0.04 0.00 1.31 0.00 0.00 55.95 56.15 3cfq s SER 85 Cb -0.15 -2.31 0.05 0.00 0.21 0.00 0.00 66.02 63.81 3cfq s SER 85 CO 0.05 -1.01 0.92 -2.16 0.41 0.00 0.00 173.24 171.45 3cfq s PRO 86 N 2.86 2.36 -0.12 12.44 0.04 -1.26 -4.99 135.00 146.33 3cfq s PRO 86 Ca 0.16 -0.42 -0.27 0.00 0.04 0.00 0.00 61.00 60.51 3cfq s PRO 86 Cb -0.20 -2.29 -0.27 0.00 0.04 0.00 0.00 34.50 31.78 3cfq s PRO 86 CO 0.11 -1.02 0.79 0.35 0.04 0.00 0.00 177.00 177.27 3cfq h PHE 87 N -0.34 0.15 -3.58 0.56 3.57 -1.45 -3.47 116.94 112.38 3cfq h PHE 87 Ca -0.44 -0.11 -0.52 0.00 3.53 0.00 0.00 57.97 60.44 3cfq h PHE 87 Cb 1.31 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 40.01 3cfq h PHE 87 CO 0.36 1.10 0.07 -1.01 -2.23 0.00 0.00 178.31 176.59 3cfq s HIS 88 N -2.28 3.55 -0.03 0.41 3.76 -1.26 -5.00 115.29 114.43 3cfq s HIS 88 Ca -0.18 1.27 -0.25 0.00 -0.15 0.00 0.00 55.06 55.75 3cfq s HIS 88 Cb -0.02 -2.54 -0.19 0.00 1.11 0.00 0.00 32.58 30.94 3cfq s HIS 88 CO 0.73 0.27 1.13 0.93 -0.85 0.00 0.00 174.74 176.94 3cfq h GLU 89 N 3.03 -0.11 -3.79 1.40 4.39 -1.98 -3.33 114.58 114.20 3cfq h GLU 89 Ca -0.48 0.01 -0.12 0.00 0.34 0.00 0.00 59.36 59.11 3cfq h GLU 89 Cb 1.19 0.02 -0.09 0.00 -0.10 0.00 0.00 28.75 29.77 3cfq h GLU 89 CO 0.66 0.38 -0.15 -1.01 -1.16 0.00 0.00 179.01 177.72 3cfq s HIS 90 N -3.96 0.58 -0.22 4.33 3.76 -1.26 -2.18 115.29 116.34 3cfq s HIS 90 Ca -0.15 -0.91 -0.08 0.00 -0.15 0.00 0.00 55.06 53.76 3cfq s HIS 90 Cb 0.01 0.11 -0.04 0.00 1.11 0.00 0.00 32.58 33.77 3cfq s HIS 90 CO 0.61 -1.04 0.09 0.00 -0.85 0.00 0.00 174.74 173.55 3cfq s ALA 91 N -3.69 3.38 -0.05 -1.40 0.00 -0.47 -4.88 121.76 114.65 3cfq s ALA 91 Ca 0.25 -0.89 -0.02 0.00 0.00 0.00 0.00 51.96 51.30 3cfq s ALA 91 Cb -0.00 -2.06 -0.04 0.00 0.00 0.00 0.00 23.12 21.02 3cfq s ALA 91 CO 0.12 -0.10 0.05 -1.21 0.00 0.00 0.00 175.76 174.61 3cfq s GLU 92 N 0.90 3.04 -0.23 0.00 8.01 -1.26 -0.39 118.70 128.76 3cfq s GLU 92 Ca 0.05 -0.42 -0.00 0.00 0.01 0.00 0.00 54.97 54.60 3cfq s GLU 92 Cb -0.14 -2.85 0.06 0.00 -4.31 0.00 0.00 34.13 26.90 3cfq s GLU 92 CO 0.03 0.68 -0.02 0.08 0.01 0.00 0.00 175.26 176.04 3cfq s VAL 93 N -1.03 1.26 -0.16 2.63 1.01 0.34 -4.97 120.40 119.48 3cfq s VAL 93 Ca 0.17 -1.08 -0.01 0.00 0.00 0.00 0.00 61.98 61.07 3cfq s VAL 93 Cb -0.12 -1.61 -0.01 0.00 0.00 0.00 0.00 36.38 34.65 3cfq s VAL 93 CO 0.07 -0.16 -0.11 -0.69 0.00 0.00 0.00 175.10 174.21 3cfq s VAL 94 N 1.51 3.01 0.01 2.92 1.01 -1.26 0.11 120.40 127.71 3cfq s VAL 94 Ca -0.04 -0.65 -0.20 0.00 0.00 0.00 0.00 61.98 61.09 3cfq s VAL 94 Cb -0.18 -2.30 0.04 0.00 0.00 0.00 0.00 36.38 33.94 3cfq s VAL 94 CO -0.07 0.50 0.44 0.72 0.00 0.00 0.00 175.10 176.68 3cfq s PHE 95 N 0.81 -0.33 -0.03 5.22 -0.71 -0.40 -4.99 117.98 117.55 3cfq s PHE 95 Ca -0.04 0.43 -0.28 0.00 -1.04 0.00 0.00 56.93 56.00 3cfq s PHE 95 Cb -0.15 0.23 -0.03 0.00 -1.21 0.00 0.00 43.02 41.85 3cfq s PHE 95 CO 0.01 -0.53 0.88 0.99 -1.34 0.00 0.00 175.22 175.23 3cfq s THR 96 N -1.86 4.93 0.09 -4.49 2.01 -1.26 -0.30 115.64 114.74 3cfq s THR 96 Ca -0.09 1.84 0.09 0.00 0.31 0.00 0.00 61.69 63.83 3cfq s THR 96 Cb -0.02 -4.22 -0.04 0.00 0.01 0.00 0.00 72.50 68.23 3cfq s THR 96 CO 0.02 0.18 -0.20 0.00 -0.69 0.00 0.00 174.62 173.93 3cfq s ALA 97 N 1.03 2.59 -1.79 7.40 0.00 -0.01 -4.77 121.76 126.22 3cfq s ALA 97 Ca 0.46 -1.30 0.00 0.00 0.00 0.00 0.00 51.96 51.12 3cfq s ALA 97 Cb -0.20 -0.64 0.00 0.00 0.00 0.00 0.00 23.12 22.29 3cfq s ALA 97 CO 0.24 0.58 0.00 0.09 0.00 0.00 0.00 175.76 176.66 3cfq n ASN 98 N 1.14 -5.81 0.22 0.00 3.02 -1.26 -2.62 115.26 109.95 3cfq n ASN 98 Ca -0.16 0.02 0.15 0.00 -0.03 0.00 0.00 54.58 54.56 3cfq n ASN 98 Cb 0.52 -4.84 0.54 0.00 -0.61 0.00 0.00 39.78 35.40 3cfq n ASN 98 CO 0.00 0.00 0.00 -2.24 -2.62 0.00 0.00 177.26 172.40 3cfq h ASP 99 N 0.00 0.00 -1.02 6.41 2.03 -1.93 -3.16 116.42 118.75 3cfq h ASP 99 Ca -0.48 0.00 -0.43 0.00 -0.73 0.00 0.00 57.03 55.39 3cfq h ASP 99 Cb 1.36 0.00 -0.41 0.00 -0.83 0.00 0.00 39.33 39.45 3cfq h ASP 99 CO 0.58 0.00 -1.00 -1.20 -1.03 0.00 0.00 179.24 176.59 3cfq n SER 100 N -2.79 2.90 0.00 4.15 7.64 -1.26 -5.10 113.62 119.16 3cfq n SER 100 Ca 0.02 -3.03 0.00 0.00 1.01 0.00 0.00 58.87 56.87 3cfq n SER 100 Cb 0.32 -0.48 0.00 0.00 -1.01 0.00 0.00 64.21 63.05 3cfq n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3cfq n GLY 101 N -0.37 -0.88 3.71 0.23 0.00 -1.19 -4.95 105.19 101.74 3cfq n GLY 101 Ca 0.22 -1.66 -0.42 0.00 0.00 0.00 0.00 46.02 44.16 3cfq n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3cfq s PRO 102 N -2.12 4.16 0.31 1.61 0.04 -1.26 -4.35 135.00 133.40 3cfq s PRO 102 Ca 0.00 2.52 0.08 0.00 0.04 0.00 0.00 61.00 63.63 3cfq s PRO 102 Cb 0.00 -3.24 -0.06 0.00 0.04 0.00 0.00 34.50 31.24 3cfq s PRO 102 CO 0.00 -0.73 -0.06 1.03 0.04 0.00 0.00 177.00 177.28 3cfq s ARG 103 N 1.58 1.68 -0.16 4.56 1.81 -1.26 -4.62 118.95 122.55 3cfq s ARG 103 Ca 0.75 -1.87 -0.05 0.00 -1.72 0.00 0.00 55.73 52.84 3cfq s ARG 103 Cb -0.47 -1.39 -0.03 0.00 -0.45 0.00 0.00 34.95 32.61 3cfq s ARG 103 CO 0.33 0.06 -0.00 1.03 -0.68 0.00 0.00 175.30 176.04 3cfq s ARG 104 N -3.69 3.70 -0.11 3.54 0.52 -0.44 -4.86 118.95 117.61 3cfq s ARG 104 Ca 0.31 -0.45 0.03 0.00 -0.52 0.00 0.00 55.73 55.10 3cfq s ARG 104 Cb 0.04 -2.99 -0.01 0.00 0.52 0.00 0.00 34.95 32.51 3cfq s ARG 104 CO 0.14 0.30 -0.20 0.71 0.02 0.00 0.00 175.30 176.27 3cfq s TYR 105 N 0.23 2.64 -0.25 -0.53 2.02 0.13 -1.67 117.35 119.92 3cfq s TYR 105 Ca -0.00 -0.88 -0.03 0.00 -0.37 0.00 0.00 57.07 55.79 3cfq s TYR 105 Cb -0.13 -1.75 0.01 0.00 -0.40 0.00 0.00 41.96 39.69 3cfq s TYR 105 CO 0.02 -0.33 -0.03 0.99 -1.57 0.00 0.00 175.55 174.63 3cfq s THR 106 N 0.29 3.20 -0.41 -0.71 2.01 -0.12 -0.64 115.64 119.27 3cfq s THR 106 Ca -0.15 -0.80 -0.18 0.00 0.31 0.00 0.00 61.69 60.88 3cfq s THR 106 Cb -0.17 -2.57 0.01 0.00 0.01 0.00 0.00 72.50 69.78 3cfq s THR 106 CO 0.07 0.26 0.47 -0.63 -0.69 0.00 0.00 174.62 174.10 3cfq s ILE 107 N 1.40 5.04 -0.10 1.82 -1.09 0.39 -0.85 121.20 127.81 3cfq s ILE 107 Ca 0.02 -0.14 -0.03 0.00 -2.23 0.00 0.00 60.65 58.28 3cfq s ILE 107 Cb -0.16 -4.03 -0.03 0.00 -1.58 0.00 0.00 42.46 36.65 3cfq s ILE 107 CO -0.03 -0.39 0.02 0.00 -1.23 0.00 0.00 174.94 173.31 3cfq s ALA 108 N 2.27 3.34 0.00 9.38 0.00 -0.07 -1.02 121.76 135.67 3cfq s ALA 108 Ca 0.15 -0.78 0.01 0.00 0.00 0.00 0.00 51.96 51.34 3cfq s ALA 108 Cb -0.16 -1.57 -0.00 0.00 0.00 0.00 0.00 23.12 21.38 3cfq s ALA 108 CO 0.14 0.54 -0.04 0.00 0.00 0.00 0.00 175.76 176.40 3cfq s ALA 109 N -0.73 0.33 -0.14 0.00 0.00 -0.01 -0.59 121.76 120.62 3cfq s ALA 109 Ca 0.12 -0.22 0.02 0.00 0.00 0.00 0.00 51.96 51.88 3cfq s ALA 109 Cb -0.12 -0.07 0.01 0.00 0.00 0.00 0.00 23.12 22.95 3cfq s ALA 109 CO 0.02 0.07 -0.21 -1.17 0.00 0.00 0.00 175.76 174.47 3cfq s LEU 110 N -0.23 2.08 -0.14 0.00 2.96 -0.03 -0.97 118.68 122.36 3cfq s LEU 110 Ca 0.00 -0.60 -0.02 0.00 -0.22 0.00 0.00 54.13 53.30 3cfq s LEU 110 Cb -0.02 -1.42 -0.02 0.00 0.50 0.00 0.00 46.19 45.22 3cfq s LEU 110 CO -0.00 0.07 -0.08 -0.76 -1.32 0.00 0.00 176.35 174.25 3cfq s LEU 111 N 0.87 2.98 0.20 -0.68 1.43 -0.30 -2.09 118.68 121.10 3cfq s LEU 111 Ca -0.06 -0.23 0.09 0.00 -1.03 0.00 0.00 54.13 52.90 3cfq s LEU 111 Cb -0.15 -1.70 -0.04 0.00 0.03 0.00 0.00 46.19 44.32 3cfq s LEU 111 CO -0.03 0.16 -0.18 -0.44 0.23 0.00 0.00 176.35 176.09 3cfq s SER 112 N 0.37 2.91 0.43 2.29 0.01 0.15 -1.07 113.70 118.79 3cfq s SER 112 Ca -0.07 -0.93 0.17 0.00 1.31 0.00 0.00 55.95 56.42 3cfq s SER 112 Cb -0.15 -0.19 1.07 0.00 0.21 0.00 0.00 66.02 66.96 3cfq s SER 112 CO 0.04 -0.04 1.90 -0.65 0.41 0.00 0.00 173.24 174.91 3cfq h PRO 113 N 2.89 0.39 -0.07 12.44 0.11 -1.99 -2.72 132.00 143.05 3cfq h PRO 113 Ca -0.41 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3cfq h PRO 113 Cb 1.22 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3cfq h PRO 113 CO 0.55 0.26 0.00 0.66 -0.21 0.00 0.00 178.00 179.26 3cfq n TYR 114 N -4.48 0.12 -3.60 0.65 4.01 -1.26 -1.04 117.16 111.56 3cfq n TYR 114 Ca 0.16 -0.62 -0.16 0.00 -0.16 0.00 0.00 57.90 57.12 3cfq n TYR 114 Cb 0.58 -0.08 -0.07 0.00 -0.31 0.00 0.00 39.34 39.46 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 -1.41 -0.59 0.02 7.72 0.15 -1.02 -4.94 113.70 113.62 3cfq s SER 115 Ca 0.12 0.81 -0.08 0.00 0.70 0.00 0.00 55.95 57.50 3cfq s SER 115 Cb 0.09 0.75 -0.00 0.00 -1.71 0.00 0.00 66.02 65.15 3cfq s SER 115 CO 0.04 -0.46 0.15 -0.72 1.20 0.00 0.00 173.24 173.45 3cfq s TYR 116 N -0.71 0.08 0.09 3.44 1.13 -1.26 0.30 117.35 120.43 3cfq s TYR 116 Ca -0.08 -0.26 0.09 0.00 -1.41 0.00 0.00 57.07 55.42 3cfq s TYR 116 Cb -0.02 -0.06 -0.03 0.00 -1.10 0.00 0.00 41.96 40.74 3cfq s TYR 116 CO 0.06 -0.35 -0.25 -1.54 -2.51 0.00 0.00 175.55 170.97 3cfq s SER 117 N -1.76 2.99 0.00 -0.18 1.04 -0.89 -4.99 113.70 109.92 3cfq s SER 117 Ca -0.10 -0.67 0.03 0.00 0.48 0.00 0.00 55.95 55.69 3cfq s SER 117 Cb -0.04 -0.21 -0.01 0.00 0.10 0.00 0.00 66.02 65.86 3cfq s SER 117 CO -0.01 0.17 -0.08 0.28 0.98 0.00 0.00 173.24 174.57 3cfq s THR 118 N -0.99 0.63 0.10 2.02 -1.32 -1.26 -0.85 115.64 113.96 3cfq s THR 118 Ca 0.11 -0.45 0.03 0.00 -1.21 0.00 0.00 61.69 60.18 3cfq s THR 118 Cb -0.10 -0.55 -0.04 0.00 -1.51 0.00 0.00 72.50 70.30 3cfq s THR 118 CO 0.04 0.10 -0.09 -0.89 -2.21 0.00 0.00 174.62 171.57 3cfq s THR 119 N -0.34 0.90 -0.09 5.08 2.01 0.24 -4.99 115.64 118.45 3cfq s THR 119 Ca 0.02 -1.69 0.02 0.00 0.31 0.00 0.00 61.69 60.35 3cfq s THR 119 Cb -0.04 -1.41 -0.02 0.00 0.01 0.00 0.00 72.50 71.04 3cfq s THR 119 CO -0.00 -0.61 -0.15 0.00 -0.69 0.00 0.00 174.62 173.17 3cfq s ALA 120 N -2.64 2.59 -0.29 7.40 0.00 -1.26 -0.89 121.76 126.66 3cfq s ALA 120 Ca 0.06 -0.94 -0.05 0.00 0.00 0.00 0.00 51.96 51.03 3cfq s ALA 120 Cb -0.02 -1.05 0.02 0.00 0.00 0.00 0.00 23.12 22.08 3cfq s ALA 120 CO -0.01 0.39 0.04 0.08 0.00 0.00 0.00 175.76 176.27 3cfq s VAL 121 N -0.15 3.54 -0.24 0.00 1.01 -0.03 -4.98 120.40 119.55 3cfq s VAL 121 Ca -0.01 -0.95 -0.02 0.00 0.00 0.00 0.00 61.98 61.00 3cfq s VAL 121 Cb -0.14 -2.88 0.02 0.00 0.00 0.00 0.00 36.38 33.38 3cfq s VAL 121 CO 0.03 0.03 -0.06 -0.69 0.00 0.00 0.00 175.10 174.42 3cfq s VAL 122 N 1.41 2.98 0.11 2.92 1.01 -1.26 -0.95 120.40 126.62 3cfq s VAL 122 Ca 0.00 -0.90 0.10 0.00 0.00 0.00 0.00 61.98 61.18 3cfq s VAL 122 Cb -0.18 -2.47 -0.04 0.00 0.00 0.00 0.00 36.38 33.69 3cfq s VAL 122 CO 0.00 0.25 -0.26 0.42 0.00 0.00 0.00 175.10 175.51 3cfq s THR 123 N 1.36 2.28 -0.39 3.92 -4.23 -0.67 -4.98 115.64 112.93 3cfq s THR 123 Ca 0.02 -1.64 -0.18 0.00 -1.18 0.00 0.00 61.69 58.71 3cfq s THR 123 Cb -0.16 -1.98 0.01 0.00 1.34 0.00 0.00 72.50 71.71 3cfq s THR 123 CO -0.04 0.17 0.50 0.21 -0.54 0.00 0.00 174.62 174.91 3cfq s ASN 124 N -1.85 6.26 0.00 3.99 3.84 -1.26 -1.33 114.94 124.60 3cfq s ASN 124 Ca 0.14 -0.31 0.00 0.00 0.21 0.00 0.00 52.86 52.90 3cfq s ASN 124 Cb -0.10 -2.26 0.00 0.00 -0.55 0.00 0.00 41.25 38.34 3cfq s ASN 124 CO 0.05 -0.55 0.23 -2.65 -2.79 0.00 0.00 177.10 171.39