#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cft h PRO 11 N 0.00 0.00 -2.72 0.00 0.13 -1.86 -3.43 132.00 124.12 3cft h PRO 11 Ca 0.00 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.85 3cft h PRO 11 Cb 0.00 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 30.78 3cft h PRO 11 CO 0.00 0.11 -0.60 -1.17 -0.23 0.00 0.00 178.00 176.12 3cft s LEU 12 N -6.82 -0.17 0.06 1.56 2.96 -1.26 -0.71 118.68 114.30 3cft s LEU 12 Ca -0.01 0.14 0.06 0.00 -0.22 0.00 0.00 54.13 54.09 3cft s LEU 12 Cb 0.12 0.47 -0.03 0.00 0.50 0.00 0.00 46.19 47.25 3cft s LEU 12 CO 0.57 -0.28 -0.16 -0.32 -1.32 0.00 0.00 176.35 174.83 3cft s MET 13 N 2.35 1.02 -0.05 1.98 -2.45 0.08 -4.38 119.30 117.84 3cft s MET 13 Ca 0.05 -0.90 0.05 0.00 -1.25 0.00 0.00 55.69 53.63 3cft s MET 13 Cb -0.14 -1.09 -0.00 0.00 1.25 0.00 0.00 34.83 34.85 3cft s MET 13 CO -0.10 0.26 -0.19 0.08 1.05 0.00 0.00 175.02 176.12 3cft s VAL 14 N -0.99 1.58 -0.06 10.11 1.01 -0.80 -0.32 120.40 130.94 3cft s VAL 14 Ca 0.03 -0.79 0.02 0.00 0.00 0.00 0.00 61.98 61.23 3cft s VAL 14 Cb -0.09 -1.36 0.02 0.00 0.00 0.00 0.00 36.38 34.95 3cft s VAL 14 CO 0.02 0.45 -0.09 -0.75 0.00 0.00 0.00 175.10 174.73 3cft s LYS 15 N 0.05 1.36 -0.06 2.72 2.20 -0.13 -0.63 119.74 125.25 3cft s LYS 15 Ca -0.05 -0.30 0.02 0.00 -0.36 0.00 0.00 55.97 55.28 3cft s LYS 15 Cb -0.13 -1.18 0.01 0.00 -1.51 0.00 0.00 37.83 35.03 3cft s LYS 15 CO 0.03 -0.01 -0.12 0.08 -0.36 0.00 0.00 175.35 174.98 3cft s VAL 16 N 0.72 1.08 0.18 4.02 1.01 -0.32 -0.85 120.40 126.25 3cft s VAL 16 Ca -0.13 -0.45 0.10 0.00 0.00 0.00 0.00 61.98 61.50 3cft s VAL 16 Cb -0.15 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.19 3cft s VAL 16 CO 0.02 0.34 -0.19 -0.76 0.00 0.00 0.00 175.10 174.52 3cft s LEU 17 N 0.66 2.63 -0.25 3.92 1.43 -0.41 -0.91 118.68 125.76 3cft s LEU 17 Ca -0.14 -0.74 -0.02 0.00 -1.03 0.00 0.00 54.13 52.20 3cft s LEU 17 Cb -0.15 -1.37 0.02 0.00 0.03 0.00 0.00 46.19 44.71 3cft s LEU 17 CO 0.03 0.12 -0.04 -0.62 0.23 0.00 0.00 176.35 176.07 3cft s ASP 18 N -2.64 4.40 0.16 2.29 -1.08 0.49 -0.75 116.67 119.54 3cft s ASP 18 Ca 0.22 -0.81 0.27 0.00 -0.52 0.00 0.00 52.55 51.71 3cft s ASP 18 Cb -0.09 -1.70 0.91 0.00 -1.46 0.00 0.00 42.92 40.58 3cft s ASP 18 CO 0.11 -0.12 1.81 0.00 0.52 0.00 0.00 175.17 177.49 3cft n ALA 19 N 4.70 2.30 0.03 3.66 0.00 0.66 -0.97 120.51 130.89 3cft n ALA 19 Ca -0.16 -0.04 -0.20 0.00 0.00 0.00 0.00 53.44 53.04 3cft n ALA 19 Cb 0.47 -1.47 -0.14 0.00 0.00 0.00 0.00 19.45 18.31 3cft n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3cft h VAL 20 N 0.00 1.46 -0.00 0.00 2.07 -1.95 -3.38 116.25 114.46 3cft h VAL 20 Ca 0.00 -2.50 0.00 0.00 0.82 0.00 0.00 66.70 65.02 3cft h VAL 20 Cb 0.69 3.14 0.00 0.00 -1.52 0.00 0.00 31.29 33.59 3cft h VAL 20 CO 0.00 0.70 -0.78 0.54 0.02 0.00 0.00 177.57 178.05 3cft n ARG 21 N -4.14 0.24 -3.64 1.57 1.74 -1.23 -5.00 116.66 106.20 3cft n ARG 21 Ca -0.15 -0.19 -0.22 0.00 -0.77 0.00 0.00 57.85 56.52 3cft n ARG 21 Cb 0.80 -1.50 0.04 0.00 -1.02 0.00 0.00 32.46 30.79 3cft n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3cft n GLY 22 N 1.48 -0.49 3.17 -0.13 0.00 -0.14 -5.02 105.19 104.05 3cft n GLY 22 Ca 0.06 0.22 -0.08 0.00 0.00 0.00 0.00 46.02 46.22 3cft n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3cft s SER 23 N -4.13 0.28 0.53 1.61 1.04 -1.07 -5.00 113.70 106.96 3cft s SER 23 Ca 0.12 -0.92 -0.22 0.00 0.48 0.00 0.00 55.95 55.42 3cft s SER 23 Cb -0.03 0.29 -0.06 0.00 0.10 0.00 0.00 66.02 66.32 3cft s SER 23 CO 0.81 -0.70 1.19 -2.65 0.98 0.00 0.00 173.24 172.87 3cft n PRO 24 N -0.02 1.46 -2.96 4.02 -0.02 -1.26 -0.38 135.00 135.83 3cft n PRO 24 Ca -0.12 0.54 -0.43 0.00 -2.02 0.00 0.00 63.50 61.47 3cft n PRO 24 Cb 0.62 -2.36 -0.05 0.00 -0.02 0.00 0.00 33.50 31.69 3cft n PRO 24 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3cft s ALA 25 N -1.33 3.30 -0.05 3.55 0.00 -0.08 -4.59 121.76 122.55 3cft s ALA 25 Ca 0.70 -0.96 -0.11 0.00 0.00 0.00 0.00 51.96 51.59 3cft s ALA 25 Cb -0.45 -3.46 -0.05 0.00 0.00 0.00 0.00 23.12 19.16 3cft s ALA 25 CO 0.51 -1.88 0.29 0.42 0.00 0.00 0.00 175.76 175.10 3cft s ILE 26 N 3.28 5.24 -1.18 0.00 1.01 -1.26 -4.29 121.20 123.99 3cft s ILE 26 Ca 0.30 0.57 -0.02 0.00 0.00 0.00 0.00 60.65 61.50 3cft s ILE 26 Cb -0.12 -3.58 0.00 0.00 0.01 0.00 0.00 42.46 38.77 3cft s ILE 26 CO 0.22 0.60 0.27 -3.20 0.00 0.00 0.00 174.94 172.83 3cft n ASN 27 N 1.90 -4.72 -4.67 3.58 5.15 -0.10 -4.95 115.26 111.45 3cft n ASN 27 Ca -0.17 -0.13 -0.40 0.00 -0.60 0.00 0.00 54.58 53.28 3cft n ASN 27 Cb 0.53 -3.69 -0.05 0.00 -0.53 0.00 0.00 39.78 36.04 3cft n ASN 27 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3cft s VAL 28 N -2.90 5.00 0.22 3.44 1.01 -1.26 -4.77 120.40 121.15 3cft s VAL 28 Ca 0.14 1.27 -0.30 0.00 0.00 0.00 0.00 61.98 63.09 3cft s VAL 28 Cb -0.06 -3.98 -0.09 0.00 0.00 0.00 0.00 36.38 32.25 3cft s VAL 28 CO 0.17 0.11 1.19 0.00 0.00 0.00 0.00 175.10 176.57 3cft s ALA 29 N 1.84 3.44 -0.07 5.51 0.00 -1.26 -1.23 121.76 129.99 3cft s ALA 29 Ca 0.31 0.98 0.02 0.00 0.00 0.00 0.00 51.96 53.27 3cft s ALA 29 Cb -0.16 -3.40 0.01 0.00 0.00 0.00 0.00 23.12 19.57 3cft s ALA 29 CO 0.11 -0.36 -0.12 0.08 0.00 0.00 0.00 175.76 175.47 3cft s VAL 30 N -0.40 1.12 -0.10 0.00 1.01 0.43 -0.99 120.40 121.46 3cft s VAL 30 Ca 0.51 -0.46 0.04 0.00 0.00 0.00 0.00 61.98 62.06 3cft s VAL 30 Cb -0.33 -1.03 0.00 0.00 0.00 0.00 0.00 36.38 35.02 3cft s VAL 30 CO 0.39 0.35 -0.23 -1.00 0.00 0.00 0.00 175.10 174.61 3cft s HIS 31 N 0.72 2.50 -0.07 5.22 3.76 -0.40 -1.32 115.29 125.69 3cft s HIS 31 Ca -0.14 -1.04 0.00 0.00 -0.15 0.00 0.00 55.06 53.73 3cft s HIS 31 Cb -0.16 -1.68 -0.03 0.00 1.11 0.00 0.00 32.58 31.82 3cft s HIS 31 CO 0.03 -0.43 -0.05 0.08 -0.85 0.00 0.00 174.74 173.52 3cft s VAL 32 N 0.40 3.88 0.06 -0.90 1.01 0.22 -0.27 120.40 124.80 3cft s VAL 32 Ca -0.18 -0.41 0.07 0.00 0.00 0.00 0.00 61.98 61.46 3cft s VAL 32 Cb -0.18 -2.60 -0.03 0.00 0.00 0.00 0.00 36.38 33.58 3cft s VAL 32 CO 0.08 0.60 -0.18 -0.36 0.00 0.00 0.00 175.10 175.24 3cft s PHE 33 N -0.83 1.55 -0.06 5.22 0.08 0.76 -0.43 117.98 124.28 3cft s PHE 33 Ca 0.13 -0.39 0.02 0.00 0.12 0.00 0.00 56.93 56.80 3cft s PHE 33 Cb -0.11 -0.90 -0.03 0.00 -0.57 0.00 0.00 43.02 41.41 3cft s PHE 33 CO 0.02 0.10 -0.10 0.50 -0.10 0.00 0.00 175.22 175.64 3cft s ARG 34 N -1.42 2.67 -0.13 0.44 3.52 0.14 -0.71 118.95 123.46 3cft s ARG 34 Ca 0.04 -0.60 -0.29 0.00 -0.13 0.00 0.00 55.73 54.74 3cft s ARG 34 Cb -0.09 -2.52 -0.01 0.00 -1.56 0.00 0.00 34.95 30.77 3cft s ARG 34 CO 0.02 0.64 1.14 0.21 -0.81 0.00 0.00 175.30 176.50 3cft s LYS 35 N -0.76 4.32 0.52 5.12 2.20 0.47 -1.55 119.74 130.06 3cft s LYS 35 Ca 0.12 1.54 -0.06 0.00 -0.36 0.00 0.00 55.97 57.20 3cft s LYS 35 Cb -0.11 -3.63 -0.03 0.00 -1.51 0.00 0.00 37.83 32.55 3cft s LYS 35 CO 0.01 -0.52 0.85 0.00 -0.36 0.00 0.00 175.35 175.33 3cft s ALA 36 N 2.71 3.33 0.40 3.13 0.00 -0.30 -4.72 121.76 126.31 3cft s ALA 36 Ca 0.51 -0.44 0.18 0.00 0.00 0.00 0.00 51.96 52.21 3cft s ALA 36 Cb -0.20 -2.69 1.08 0.00 0.00 0.00 0.00 23.12 21.30 3cft s ALA 36 CO 0.16 -0.48 1.80 0.00 0.00 0.00 0.00 175.76 177.24 3cft h ALA 37 N 0.06 2.20 -0.07 0.00 0.00 -1.95 0.76 119.26 120.26 3cft h ALA 37 Ca -0.46 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3cft h ALA 37 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3cft h ALA 37 CO 0.62 -0.57 0.00 -0.40 0.00 0.00 0.00 179.25 178.90 3cft n ASP 38 N -4.59 0.39 -0.83 0.00 5.75 -1.26 -4.92 116.55 111.09 3cft n ASP 38 Ca 0.23 -2.00 -0.11 0.00 -0.01 0.00 0.00 54.79 52.91 3cft n ASP 38 Cb 0.81 -0.05 -0.05 0.00 -1.03 0.00 0.00 41.12 40.80 3cft n ASP 38 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3cft n ASP 39 N -0.29 -4.51 -4.96 -1.12 9.92 0.27 -5.02 116.55 110.84 3cft n ASP 39 Ca 0.02 0.27 -0.22 0.00 -0.53 0.00 0.00 54.79 54.33 3cft n ASP 39 Cb 0.06 -2.96 -0.00 0.00 -0.64 0.00 0.00 41.12 37.58 3cft n ASP 39 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 3cft s THR 40 N -2.33 4.48 -0.24 -3.53 -4.23 -1.26 -4.84 115.64 103.68 3cft s THR 40 Ca 0.00 -0.63 -0.13 0.00 -1.18 0.00 0.00 61.69 59.75 3cft s THR 40 Cb 0.00 -3.62 -0.04 0.00 1.34 0.00 0.00 72.50 70.17 3cft s THR 40 CO 0.00 -0.37 0.26 0.26 -0.54 0.00 0.00 174.62 174.23 3cft s TRP 41 N -2.35 3.31 -0.18 3.99 0.52 -1.26 -1.15 118.94 121.81 3cft s TRP 41 Ca 0.44 0.34 -0.04 0.00 0.02 0.00 0.00 56.10 56.86 3cft s TRP 41 Cb -0.10 -2.40 -0.02 0.00 -1.15 0.00 0.00 33.47 29.80 3cft s TRP 41 CO 0.35 -0.04 -0.04 -2.00 0.02 0.00 0.00 176.95 175.24 3cft s GLU 42 N 1.40 3.54 0.38 4.98 2.12 -0.59 -4.93 118.70 125.60 3cft s GLU 42 Ca 0.12 -0.57 -0.25 0.00 0.36 0.00 0.00 54.97 54.63 3cft s GLU 42 Cb -0.15 -2.94 -0.12 0.00 0.26 0.00 0.00 34.13 31.19 3cft s GLU 42 CO 0.07 0.07 0.99 -2.30 -0.54 0.00 0.00 175.26 173.55 3cft n PRO 43 N 4.03 1.33 0.00 4.30 -0.02 -1.26 -0.69 135.00 142.69 3cft n PRO 43 Ca -0.18 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 3cft n PRO 43 Cb 0.52 -1.96 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 3cft n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3cft n PHE 44 N -0.30 0.00 -3.54 6.00 7.35 0.43 -4.73 117.46 122.67 3cft n PHE 44 Ca 0.09 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.67 3cft n PHE 44 Cb 0.37 0.06 -0.04 0.00 0.35 0.00 0.00 39.48 40.22 3cft n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3cft s ALA 45 N -1.55 -1.86 0.23 3.13 0.00 -0.88 -5.00 121.76 115.82 3cft s ALA 45 Ca 0.00 1.34 -0.22 0.00 0.00 0.00 0.00 51.96 53.07 3cft s ALA 45 Cb 0.00 -0.21 0.04 0.00 0.00 0.00 0.00 23.12 22.95 3cft s ALA 45 CO 0.00 -0.45 0.77 -1.54 0.00 0.00 0.00 175.76 174.54 3cft s SER 46 N -1.59 -0.28 0.00 0.00 1.04 -1.26 0.70 113.70 112.31 3cft s SER 46 Ca -0.01 -0.47 0.00 0.00 0.48 0.00 0.00 55.95 55.95 3cft s SER 46 Cb -0.01 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.76 3cft s SER 46 CO -0.01 -1.17 0.00 0.61 0.98 0.00 0.00 173.24 173.65 3cft n GLY 47 N -0.44 -1.29 3.20 7.32 0.00 -0.44 -4.96 105.19 108.58 3cft n GLY 47 Ca -0.06 -0.96 -0.28 0.00 0.00 0.00 0.00 46.02 44.72 3cft n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cft s LYS 48 N -1.18 1.96 0.50 1.61 1.02 -1.26 -0.43 119.74 121.96 3cft s LYS 48 Ca 0.00 -0.74 -0.23 0.00 0.02 0.00 0.00 55.97 55.03 3cft s LYS 48 Cb 0.00 -1.75 -0.07 0.00 -0.52 0.00 0.00 37.83 35.49 3cft s LYS 48 CO 0.00 0.35 1.22 0.25 -0.92 0.00 0.00 175.35 176.25 3cft n THR 49 N 2.89 3.24 -1.73 2.17 -2.24 -0.37 -4.80 114.28 113.44 3cft n THR 49 Ca -0.17 -0.50 -0.23 0.00 -2.27 0.00 0.00 64.05 60.89 3cft n THR 49 Cb 0.53 -1.49 0.16 0.00 -2.10 0.00 0.00 70.33 67.43 3cft n THR 49 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3cft n SER 50 N -0.40 0.10 -0.16 3.42 3.41 0.22 -0.92 113.62 119.29 3cft n SER 50 Ca 0.10 -1.39 0.25 0.00 -0.26 0.00 0.00 58.87 57.57 3cft n SER 50 Cb 0.43 -0.78 0.67 0.00 -0.26 0.00 0.00 64.21 64.28 3cft n SER 50 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 3cft h GLU 51 N 0.00 0.08 -0.47 4.33 4.11 -1.94 0.70 114.58 121.40 3cft h GLU 51 Ca -0.33 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.10 3cft h GLU 51 Cb 0.91 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.15 3cft h GLU 51 CO 0.24 0.05 0.00 -1.13 0.07 0.00 0.00 179.01 178.24 3cft n SER 52 N -4.34 2.62 -0.41 3.06 3.41 -1.26 -4.80 113.62 111.91 3cft n SER 52 Ca 0.17 -1.98 -0.05 0.00 -0.26 0.00 0.00 58.87 56.75 3cft n SER 52 Cb 0.84 -0.32 -0.02 0.00 -0.26 0.00 0.00 64.21 64.46 3cft n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3cft n GLY 53 N 1.29 0.79 3.51 5.00 0.00 0.24 -4.79 105.19 111.23 3cft n GLY 53 Ca 0.17 -0.70 -0.29 0.00 0.00 0.00 0.00 46.02 45.19 3cft n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3cft s GLU 54 N -2.29 1.86 -0.16 1.61 2.02 -1.26 -1.17 118.70 119.31 3cft s GLU 54 Ca 0.00 -1.14 -0.02 0.00 0.02 0.00 0.00 54.97 53.83 3cft s GLU 54 Cb 0.00 -2.16 0.05 0.00 0.10 0.00 0.00 34.13 32.12 3cft s GLU 54 CO 0.00 0.49 0.01 -1.17 0.02 0.00 0.00 175.26 174.61 3cft s LEU 55 N -2.15 1.14 0.31 1.80 2.96 0.20 -0.61 118.68 122.33 3cft s LEU 55 Ca 0.19 -0.64 0.04 0.00 -0.22 0.00 0.00 54.13 53.49 3cft s LEU 55 Cb -0.11 -0.62 -0.06 0.00 0.50 0.00 0.00 46.19 45.91 3cft s LEU 55 CO 0.11 -0.26 0.04 -1.38 -1.32 0.00 0.00 176.35 173.54 3cft s HIS 56 N 1.84 1.90 -0.45 5.38 -3.43 -1.26 -1.90 115.29 117.37 3cft s HIS 56 Ca 0.01 -0.94 0.00 0.00 -0.80 0.00 0.00 55.06 53.33 3cft s HIS 56 Cb -0.16 -1.20 0.00 0.00 -1.43 0.00 0.00 32.58 29.79 3cft s HIS 56 CO -0.07 0.02 0.00 0.41 -2.00 0.00 0.00 174.74 173.09 3cft n GLY 57 N -0.63 0.59 0.32 -1.38 0.00 -1.26 -4.95 105.19 97.88 3cft n GLY 57 Ca -0.03 -0.83 -0.06 0.00 0.00 0.00 0.00 46.02 45.10 3cft n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3cft h LEU 58 N 0.00 1.02 0.00 0.99 3.38 -1.87 -3.47 115.31 115.36 3cft h LEU 58 Ca -0.10 -0.18 -0.33 0.00 0.09 0.00 0.00 57.88 57.36 3cft h LEU 58 Cb 0.48 -0.27 -0.08 0.00 0.09 0.00 0.00 40.66 40.88 3cft h LEU 58 CO 0.13 0.92 -0.23 1.07 0.09 0.00 0.00 178.44 180.43 3cft n THR 59 N -4.33 0.00 -4.49 0.22 5.66 -1.26 -4.74 114.28 105.34 3cft n THR 59 Ca 0.06 -1.96 -0.24 0.00 -3.05 0.00 0.00 64.05 58.86 3cft n THR 59 Cb 0.19 1.14 -0.10 0.00 -1.55 0.00 0.00 70.33 70.00 3cft n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3cft s THR 60 N -2.95 2.25 0.29 1.09 -4.23 -1.26 -4.59 115.64 106.23 3cft s THR 60 Ca 0.32 -2.29 0.00 0.00 -1.18 0.00 0.00 61.69 58.55 3cft s THR 60 Cb -0.00 -2.43 0.28 0.00 1.34 0.00 0.00 72.50 71.68 3cft s THR 60 CO 0.23 -0.33 1.89 -0.08 -0.54 0.00 0.00 174.62 175.79 3cft h GLU 61 N 2.19 1.03 -0.46 3.99 4.57 -1.98 -1.26 114.58 122.68 3cft h GLU 61 Ca -0.41 -0.06 -0.03 0.00 -1.18 0.00 0.00 59.36 57.68 3cft h GLU 61 Cb 1.25 -0.23 -0.02 0.00 -0.16 0.00 0.00 28.75 29.58 3cft h GLU 61 CO 0.65 0.68 0.15 1.49 -1.18 0.00 0.00 179.01 180.81 3cft h GLU 62 N 1.07 0.66 0.00 1.92 4.81 -2.05 -3.16 114.58 117.84 3cft h GLU 62 Ca 0.43 -0.10 -0.23 0.00 -0.13 0.00 0.00 59.36 59.32 3cft h GLU 62 Cb 0.26 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.48 3cft h GLU 62 CO -0.18 0.57 -1.43 0.93 -0.73 0.00 0.00 179.01 178.17 3cft h GLU 63 N 0.65 0.00 -3.86 1.92 4.39 -1.85 -3.41 114.58 112.43 3cft h GLU 63 Ca 0.16 0.00 -0.69 0.00 0.34 0.00 0.00 59.36 59.16 3cft h GLU 63 Cb 0.18 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.81 3cft h GLU 63 CO -0.01 0.52 3.19 0.34 -1.16 0.00 0.00 179.01 181.90 3cft n PHE 64 N -3.07 3.21 -1.69 4.33 7.35 -0.52 -4.95 117.46 122.11 3cft n PHE 64 Ca -0.11 -2.90 -0.31 0.00 -0.76 0.00 0.00 57.45 53.37 3cft n PHE 64 Cb 0.96 -2.48 0.03 0.00 0.35 0.00 0.00 39.48 38.35 3cft n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 3cft s VAL 65 N 3.16 4.28 0.36 -2.13 -7.23 -1.26 -4.99 120.40 112.58 3cft s VAL 65 Ca 0.51 0.74 -0.25 0.00 -1.81 0.00 0.00 61.98 61.17 3cft s VAL 65 Cb 0.15 -3.58 -0.13 0.00 0.56 0.00 0.00 36.38 33.38 3cft s VAL 65 CO -0.07 -0.97 0.88 -0.62 -0.31 0.00 0.00 175.10 174.01 3cft n GLU 66 N -2.98 1.10 0.00 4.82 1.02 -1.26 -4.88 120.64 118.46 3cft n GLU 66 Ca 0.07 0.39 0.00 0.00 -0.02 0.00 0.00 57.16 57.60 3cft n GLU 66 Cb 0.54 -1.79 0.00 0.00 -0.02 0.00 0.00 31.44 30.17 3cft n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3cft n GLY 67 N 1.38 1.86 3.74 0.62 0.00 -1.10 -4.98 105.19 106.69 3cft n GLY 67 Ca 0.10 -1.05 -0.36 0.00 0.00 0.00 0.00 46.02 44.71 3cft n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cft s ILE 68 N -2.00 5.35 0.08 -0.61 1.01 -1.26 -0.87 121.20 122.90 3cft s ILE 68 Ca 0.00 0.39 0.08 0.00 0.00 0.00 0.00 60.65 61.12 3cft s ILE 68 Cb 0.00 -3.56 -0.03 0.00 0.01 0.00 0.00 42.46 38.88 3cft s ILE 68 CO 0.00 0.42 -0.22 -0.31 0.00 0.00 0.00 174.94 174.83 3cft s TYR 69 N 0.33 1.90 -0.10 3.97 2.02 -0.03 -0.40 117.35 125.04 3cft s TYR 69 Ca 0.13 -0.40 0.02 0.00 -0.37 0.00 0.00 57.07 56.46 3cft s TYR 69 Cb -0.12 -1.08 0.01 0.00 -0.40 0.00 0.00 41.96 40.37 3cft s TYR 69 CO 0.02 0.18 -0.18 0.21 -1.57 0.00 0.00 175.55 174.20 3cft s LYS 70 N -1.62 2.44 -0.27 -0.62 2.20 0.11 -1.06 119.74 120.92 3cft s LYS 70 Ca 0.08 -0.65 -0.07 0.00 -0.36 0.00 0.00 55.97 54.97 3cft s LYS 70 Cb -0.10 -1.98 -0.01 0.00 -1.51 0.00 0.00 37.83 34.24 3cft s LYS 70 CO 0.03 0.02 0.08 0.08 -0.36 0.00 0.00 175.35 175.20 3cft s VAL 71 N 0.74 4.15 -0.24 4.02 1.01 0.89 -0.17 120.40 130.80 3cft s VAL 71 Ca -0.11 -0.43 -0.06 0.00 0.00 0.00 0.00 61.98 61.37 3cft s VAL 71 Cb -0.16 -3.04 -0.02 0.00 0.00 0.00 0.00 36.38 33.15 3cft s VAL 71 CO 0.02 0.20 0.04 -0.70 0.00 0.00 0.00 175.10 174.66 3cft s GLU 72 N 1.56 3.60 -0.23 2.72 2.12 0.62 0.10 118.70 129.19 3cft s GLU 72 Ca 0.05 -0.51 -0.05 0.00 0.36 0.00 0.00 54.97 54.81 3cft s GLU 72 Cb -0.16 -3.23 -0.02 0.00 0.26 0.00 0.00 34.13 30.98 3cft s GLU 72 CO 0.03 -0.16 0.01 0.42 -0.54 0.00 0.00 175.26 175.02 3cft s ILE 73 N 1.50 3.86 -1.40 -3.70 1.01 0.79 -1.28 121.20 121.98 3cft s ILE 73 Ca 0.06 -0.33 -0.14 0.00 0.00 0.00 0.00 60.65 60.24 3cft s ILE 73 Cb -0.15 -2.78 0.07 0.00 0.01 0.00 0.00 42.46 39.62 3cft s ILE 73 CO 0.02 0.39 2.09 0.47 0.00 0.00 0.00 174.94 177.91 3cft n ASP 74 N 4.75 4.25 -0.06 3.58 8.00 -0.17 -0.96 116.55 135.96 3cft n ASP 74 Ca -0.17 -2.90 -0.11 0.00 0.71 0.00 0.00 54.79 52.32 3cft n ASP 74 Cb 0.51 -1.63 0.03 0.00 -0.02 0.00 0.00 41.12 40.01 3cft n ASP 74 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 3cft h THR 75 N 4.14 1.29 -0.15 -3.53 1.35 -1.87 -3.05 112.91 111.09 3cft h THR 75 Ca 0.52 -1.63 0.05 0.00 -0.55 0.00 0.00 66.41 64.79 3cft h THR 75 Cb 0.67 1.54 -0.05 0.00 -1.73 0.00 0.00 68.15 68.57 3cft h THR 75 CO 1.78 0.53 -0.16 0.50 -0.25 0.00 0.00 175.52 177.91 3cft h LYS 76 N 0.60 -0.18 -0.86 4.72 3.64 -1.67 -1.61 116.57 121.20 3cft h LYS 76 Ca 0.04 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.47 3cft h LYS 76 Cb 1.00 0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.81 3cft h LYS 76 CO 0.10 -0.12 0.55 0.77 -2.27 0.00 0.00 179.45 178.48 3cft h SER 77 N -0.19 0.91 0.03 4.20 0.02 -1.82 -1.56 113.55 115.14 3cft h SER 77 Ca 0.10 -0.00 0.03 0.00 -0.84 0.00 0.00 61.79 61.08 3cft h SER 77 Cb 0.34 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.64 3cft h SER 77 CO -0.27 0.62 -0.26 0.22 -1.14 0.00 0.00 176.83 176.00 3cft h TYR 78 N 1.06 -0.70 -0.46 3.45 3.20 -1.33 -1.66 116.97 120.54 3cft h TYR 78 Ca 0.35 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.21 3cft h TYR 78 Cb 0.03 0.30 -0.02 0.00 1.54 0.00 0.00 36.73 38.58 3cft h TYR 78 CO -0.02 -0.35 0.16 -1.49 -1.64 0.00 0.00 178.16 174.81 3cft h TRP 79 N -0.42 0.73 -0.88 -3.82 4.06 -1.11 -2.73 115.95 111.79 3cft h TRP 79 Ca 0.05 -0.07 0.12 0.00 2.06 0.00 0.00 58.89 61.05 3cft h TRP 79 Cb 0.49 -0.21 -0.08 0.00 -1.00 0.00 0.00 29.16 28.35 3cft h TRP 79 CO -0.28 0.64 0.51 0.87 -3.56 0.00 0.00 178.44 176.62 3cft h LYS 80 N 0.61 0.78 0.00 0.49 1.57 -1.12 0.25 116.57 119.15 3cft h LYS 80 Ca 0.15 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 3cft h LYS 80 Cb 0.24 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 3cft h LYS 80 CO -0.01 0.52 -0.06 0.00 -0.57 0.00 0.00 179.45 179.33 3cft h ALA 81 N 1.50 1.07 -0.24 3.86 0.00 -1.00 -1.34 119.26 123.12 3cft h ALA 81 Ca 0.44 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.30 3cft h ALA 81 Cb 0.48 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3cft h ALA 81 CO -0.28 0.07 0.00 1.28 0.00 0.00 0.00 179.25 180.32 3cft n LEU 82 N -3.26 3.13 -0.65 0.00 4.77 0.77 -4.97 117.00 116.79 3cft n LEU 82 Ca -0.01 -1.24 -0.06 0.00 -0.03 0.00 0.00 56.01 54.67 3cft n LEU 82 Cb 0.25 -0.14 -0.01 0.00 -2.33 0.00 0.00 43.42 41.19 3cft n LEU 82 CO 0.27 0.62 -0.07 0.61 -1.33 0.00 0.00 177.39 177.48 3cft n GLY 83 N 1.42 0.31 3.27 -0.72 0.00 -0.50 -5.04 105.19 103.92 3cft n GLY 83 Ca 0.17 -0.66 -0.32 0.00 0.00 0.00 0.00 46.02 45.21 3cft n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cft s ILE 84 N -2.29 2.17 -0.38 -0.61 1.01 -0.83 -5.01 121.20 115.26 3cft s ILE 84 Ca 0.00 -1.01 -0.26 0.00 0.00 0.00 0.00 60.65 59.39 3cft s ILE 84 Cb 0.00 -1.81 0.02 0.00 0.01 0.00 0.00 42.46 40.67 3cft s ILE 84 CO 0.00 0.56 0.92 -0.55 0.00 0.00 0.00 174.94 175.88 3cft s SER 85 N 0.04 6.65 0.29 3.58 0.15 -1.26 -3.77 113.70 119.38 3cft s SER 85 Ca -0.09 0.52 0.05 0.00 0.70 0.00 0.00 55.95 57.13 3cft s SER 85 Cb -0.15 -2.46 -0.02 0.00 -1.71 0.00 0.00 66.02 61.67 3cft s SER 85 CO 0.06 -0.88 0.43 -2.16 1.20 0.00 0.00 173.24 171.89 3cft s PRO 86 N 3.50 3.34 -0.14 5.44 0.04 -1.26 -4.85 135.00 141.07 3cft s PRO 86 Ca 0.38 -0.76 -0.21 0.00 0.04 0.00 0.00 61.00 60.46 3cft s PRO 86 Cb -0.12 -2.83 -0.25 0.00 0.04 0.00 0.00 34.50 31.35 3cft s PRO 86 CO 0.20 0.26 0.51 0.35 0.04 0.00 0.00 177.00 178.36 3cft h PHE 87 N 1.00 0.21 -3.74 0.56 3.57 -1.26 -3.48 116.94 113.81 3cft h PHE 87 Ca -0.50 -0.16 -0.49 0.00 3.53 0.00 0.00 57.97 60.36 3cft h PHE 87 Cb 1.24 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.95 3cft h PHE 87 CO 0.45 1.40 0.11 -1.01 -2.23 0.00 0.00 178.31 177.04 3cft s HIS 88 N -2.38 3.38 0.01 0.41 0.09 -1.26 -4.98 115.29 110.54 3cft s HIS 88 Ca -0.22 1.22 -0.25 0.00 -0.00 0.00 0.00 55.06 55.81 3cft s HIS 88 Cb 0.03 -2.54 -0.18 0.00 -0.00 0.00 0.00 32.58 29.88 3cft s HIS 88 CO 0.70 0.06 1.37 0.93 -0.00 0.00 0.00 174.74 177.80 3cft h GLU 89 N 2.14 0.05 -3.05 1.40 4.39 -1.97 -3.35 114.58 114.19 3cft h GLU 89 Ca -0.48 -0.02 -0.06 0.00 0.34 0.00 0.00 59.36 59.14 3cft h GLU 89 Cb 1.18 -0.00 -0.15 0.00 -0.10 0.00 0.00 28.75 29.67 3cft h GLU 89 CO 0.65 0.43 -0.03 -1.01 -1.16 0.00 0.00 179.01 177.88 3cft s HIS 90 N -4.63 -0.31 0.16 4.33 3.76 -1.26 -3.03 115.29 114.31 3cft s HIS 90 Ca -0.15 0.22 -0.22 0.00 -0.15 0.00 0.00 55.06 54.76 3cft s HIS 90 Cb 0.03 0.29 -0.08 0.00 1.11 0.00 0.00 32.58 33.93 3cft s HIS 90 CO 0.68 -0.64 0.71 0.00 -0.85 0.00 0.00 174.74 174.64 3cft s ALA 91 N -2.89 3.47 -0.04 -1.40 0.00 -0.13 -4.90 121.76 115.87 3cft s ALA 91 Ca -0.03 0.21 0.05 0.00 0.00 0.00 0.00 51.96 52.20 3cft s ALA 91 Cb -0.00 -2.83 -0.01 0.00 0.00 0.00 0.00 23.12 20.28 3cft s ALA 91 CO -0.05 0.33 -0.20 -1.21 0.00 0.00 0.00 175.76 174.63 3cft s GLU 92 N -1.44 1.96 -0.19 0.00 0.41 -1.26 -0.15 118.70 118.04 3cft s GLU 92 Ca 0.37 -0.72 -0.01 0.00 -0.41 0.00 0.00 54.97 54.20 3cft s GLU 92 Cb -0.20 -1.73 0.05 0.00 -1.78 0.00 0.00 34.13 30.47 3cft s GLU 92 CO 0.23 0.33 -0.03 0.08 -0.49 0.00 0.00 175.26 175.37 3cft s VAL 93 N -0.13 1.09 -0.13 2.63 1.01 0.11 -4.98 120.40 119.99 3cft s VAL 93 Ca -0.01 -0.74 0.01 0.00 0.00 0.00 0.00 61.98 61.23 3cft s VAL 93 Cb -0.11 -1.35 -0.01 0.00 0.00 0.00 0.00 36.38 34.91 3cft s VAL 93 CO 0.02 0.01 -0.16 -0.69 0.00 0.00 0.00 175.10 174.28 3cft s VAL 94 N 1.62 2.75 0.17 2.92 1.01 -1.26 -0.08 120.40 127.54 3cft s VAL 94 Ca -0.01 -0.76 -0.19 0.00 0.00 0.00 0.00 61.98 61.01 3cft s VAL 94 Cb -0.16 -2.14 0.05 0.00 0.00 0.00 0.00 36.38 34.12 3cft s VAL 94 CO -0.07 0.53 0.53 0.72 0.00 0.00 0.00 175.10 176.81 3cft s PHE 95 N 0.47 -0.30 -0.18 5.22 -0.71 -0.22 -5.00 117.98 117.26 3cft s PHE 95 Ca -0.11 0.01 -0.15 0.00 -1.04 0.00 0.00 56.93 55.64 3cft s PHE 95 Cb -0.16 0.44 -0.04 0.00 -1.21 0.00 0.00 43.02 42.05 3cft s PHE 95 CO 0.05 -0.86 0.34 0.99 -1.34 0.00 0.00 175.22 174.41 3cft s THR 96 N -3.81 5.25 -0.21 -4.49 2.01 -1.26 -0.85 115.64 112.28 3cft s THR 96 Ca 0.05 0.62 -0.20 0.00 0.31 0.00 0.00 61.69 62.47 3cft s THR 96 Cb -0.01 -3.68 -0.03 0.00 0.01 0.00 0.00 72.50 68.80 3cft s THR 96 CO -0.08 0.32 0.59 0.00 -0.69 0.00 0.00 174.62 174.75 3cft s ALA 97 N 0.91 3.55 -0.03 7.40 0.00 -0.05 -4.97 121.76 128.56 3cft s ALA 97 Ca 0.18 -0.34 -0.10 0.00 0.00 0.00 0.00 51.96 51.70 3cft s ALA 97 Cb -0.14 -2.92 0.02 0.00 0.00 0.00 0.00 23.12 20.07 3cft s ALA 97 CO 0.06 -0.55 0.23 0.54 0.00 0.00 0.00 175.76 176.04 3cft s ASN 98 N 1.22 -0.13 0.53 0.00 2.20 -1.26 -2.73 114.94 114.77 3cft s ASN 98 Ca 0.27 0.10 0.19 0.00 -0.94 0.00 0.00 52.86 52.48 3cft s ASN 98 Cb -0.16 0.33 1.37 0.00 -2.00 0.00 0.00 41.25 40.80 3cft s ASN 98 CO 0.10 -0.31 2.16 0.44 -2.94 0.00 0.00 177.10 176.55 3cft h ASP 99 N 4.58 0.00 -0.57 3.54 3.32 -1.96 -2.32 116.42 123.01 3cft h ASP 99 Ca -0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.76 3cft h ASP 99 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 3cft h ASP 99 CO 0.39 0.02 0.00 -1.20 -1.72 0.00 0.00 179.24 176.72 3cft n SER 100 N -4.36 4.73 -4.81 6.45 7.64 -1.26 -4.87 113.62 117.14 3cft n SER 100 Ca -0.03 -2.57 -0.32 0.00 1.01 0.00 0.00 58.87 56.97 3cft n SER 100 Cb 0.10 -0.57 0.04 0.00 -1.01 0.00 0.00 64.21 62.77 3cft n SER 100 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3cft s GLY 101 N -1.02 1.81 0.99 0.23 0.00 -0.88 -5.03 107.32 103.43 3cft s GLY 101 Ca 0.49 0.20 -0.17 0.00 0.00 0.00 0.00 44.72 45.24 3cft s GLY 101 CO 0.21 0.51 -0.68 -1.05 0.00 0.00 0.00 173.10 172.09 3cft n PRO 102 N -2.82 -0.06 -0.02 2.90 -0.02 -1.26 -4.93 135.00 128.78 3cft n PRO 102 Ca 0.08 -0.01 -0.15 0.00 -2.02 0.00 0.00 63.50 61.40 3cft n PRO 102 Cb 0.53 -1.13 -0.14 0.00 -0.02 0.00 0.00 33.50 32.75 3cft n PRO 102 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3cft n ARG 103 N 1.87 0.69 -3.25 -0.52 5.12 0.15 -4.56 116.66 116.16 3cft n ARG 103 Ca -0.01 0.25 -0.39 0.00 -1.93 0.00 0.00 57.85 55.77 3cft n ARG 103 Cb 0.57 -1.71 -0.06 0.00 -1.16 0.00 0.00 32.46 30.09 3cft n ARG 103 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 3cft s ARG 104 N -2.57 4.29 -0.19 5.56 0.52 -0.25 -4.77 118.95 121.55 3cft s ARG 104 Ca -0.15 0.49 -0.06 0.00 -0.52 0.00 0.00 55.73 55.49 3cft s ARG 104 Cb 0.07 -3.49 -0.03 0.00 0.52 0.00 0.00 34.95 32.03 3cft s ARG 104 CO 0.78 0.02 0.02 0.71 0.02 0.00 0.00 175.30 176.86 3cft s TYR 105 N 1.05 3.10 -0.22 -0.53 2.02 0.11 -1.66 117.35 121.22 3cft s TYR 105 Ca 0.27 -0.26 -0.02 0.00 -0.37 0.00 0.00 57.07 56.69 3cft s TYR 105 Cb -0.15 -2.08 0.01 0.00 -0.40 0.00 0.00 41.96 39.34 3cft s TYR 105 CO 0.11 -0.10 -0.09 0.99 -1.57 0.00 0.00 175.55 174.89 3cft s THR 106 N 0.78 2.83 -0.40 -0.71 2.01 0.17 -0.74 115.64 119.58 3cft s THR 106 Ca 0.01 -0.81 -0.21 0.00 0.31 0.00 0.00 61.69 60.99 3cft s THR 106 Cb -0.14 -2.33 0.01 0.00 0.01 0.00 0.00 72.50 70.06 3cft s THR 106 CO 0.02 0.37 0.64 -0.63 -0.69 0.00 0.00 174.62 174.33 3cft s ILE 107 N 1.37 4.85 0.05 1.82 -1.09 0.57 -0.69 121.20 128.08 3cft s ILE 107 Ca 0.03 0.30 0.01 0.00 -2.23 0.00 0.00 60.65 58.77 3cft s ILE 107 Cb -0.15 -4.15 -0.04 0.00 -1.58 0.00 0.00 42.46 36.54 3cft s ILE 107 CO -0.06 -0.48 0.14 0.00 -1.23 0.00 0.00 174.94 173.30 3cft s ALA 108 N 2.77 3.76 -0.08 9.38 0.00 0.14 -0.96 121.76 136.77 3cft s ALA 108 Ca 0.23 -0.91 -0.05 0.00 0.00 0.00 0.00 51.96 51.23 3cft s ALA 108 Cb -0.14 -1.63 0.03 0.00 0.00 0.00 0.00 23.12 21.38 3cft s ALA 108 CO 0.17 0.77 0.20 0.00 0.00 0.00 0.00 175.76 176.90 3cft s ALA 109 N -1.40 -0.45 -0.16 0.00 0.00 -0.03 -1.58 121.76 118.14 3cft s ALA 109 Ca 0.30 0.73 -0.02 0.00 0.00 0.00 0.00 51.96 52.98 3cft s ALA 109 Cb -0.12 -0.46 -0.01 0.00 0.00 0.00 0.00 23.12 22.52 3cft s ALA 109 CO 0.23 -0.14 -0.09 -1.17 0.00 0.00 0.00 175.76 174.59 3cft s LEU 110 N 0.78 2.86 -0.12 0.00 2.96 -0.14 -1.29 118.68 123.74 3cft s LEU 110 Ca -0.06 -0.32 -0.00 0.00 -0.22 0.00 0.00 54.13 53.53 3cft s LEU 110 Cb -0.07 -1.68 -0.02 0.00 0.50 0.00 0.00 46.19 44.92 3cft s LEU 110 CO -0.04 0.10 -0.10 -0.76 -1.32 0.00 0.00 176.35 174.23 3cft s LEU 111 N 0.73 2.91 0.18 -0.68 1.43 0.07 -2.24 118.68 121.08 3cft s LEU 111 Ca -0.04 -0.22 0.06 0.00 -1.03 0.00 0.00 54.13 52.90 3cft s LEU 111 Cb -0.15 -1.66 -0.05 0.00 0.03 0.00 0.00 46.19 44.37 3cft s LEU 111 CO 0.02 0.21 -0.13 -0.44 0.23 0.00 0.00 176.35 176.24 3cft s SER 112 N 0.07 2.28 0.27 2.29 0.01 -0.45 -0.25 113.70 117.93 3cft s SER 112 Ca -0.04 -1.02 0.00 0.00 1.31 0.00 0.00 55.95 56.21 3cft s SER 112 Cb -0.14 -0.09 0.53 0.00 0.21 0.00 0.00 66.02 66.53 3cft s SER 112 CO 0.04 -0.23 1.82 -0.65 0.41 0.00 0.00 173.24 174.62 3cft h PRO 113 N 2.65 0.86 -0.15 12.44 0.11 -1.99 -3.07 132.00 142.85 3cft h PRO 113 Ca -0.37 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3cft h PRO 113 Cb 1.21 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.12 3cft h PRO 113 CO 0.63 0.57 0.00 0.66 -0.21 0.00 0.00 178.00 179.65 3cft n TYR 114 N -4.69 0.31 -3.64 0.65 4.01 -1.26 -0.69 117.16 111.85 3cft n TYR 114 Ca 0.18 -0.68 -0.16 0.00 -0.16 0.00 0.00 57.90 57.09 3cft n TYR 114 Cb 0.36 -0.12 -0.07 0.00 -0.31 0.00 0.00 39.34 39.20 3cft n TYR 114 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3cft s SER 115 N -1.57 -0.42 0.06 7.72 0.15 -1.16 -4.96 113.70 113.52 3cft s SER 115 Ca 0.21 0.39 -0.15 0.00 0.70 0.00 0.00 55.95 57.10 3cft s SER 115 Cb 0.16 0.42 0.03 0.00 -1.71 0.00 0.00 66.02 64.92 3cft s SER 115 CO 0.07 -0.53 0.34 -0.72 1.20 0.00 0.00 173.24 173.60 3cft s TYR 116 N -1.29 -0.14 0.18 3.44 1.13 -1.26 -1.34 117.35 118.07 3cft s TYR 116 Ca -0.12 -0.03 0.10 0.00 -1.41 0.00 0.00 57.07 55.60 3cft s TYR 116 Cb -0.03 0.15 -0.04 0.00 -1.10 0.00 0.00 41.96 40.94 3cft s TYR 116 CO 0.07 -0.56 -0.20 -1.54 -2.51 0.00 0.00 175.55 170.81 3cft s SER 117 N -2.26 2.96 -0.00 -0.18 1.04 -0.95 -4.98 113.70 109.32 3cft s SER 117 Ca -0.03 -0.88 0.02 0.00 0.48 0.00 0.00 55.95 55.54 3cft s SER 117 Cb 0.00 -0.19 -0.00 0.00 0.10 0.00 0.00 66.02 65.92 3cft s SER 117 CO -0.05 0.01 -0.05 0.28 0.98 0.00 0.00 173.24 174.40 3cft s THR 118 N -2.00 0.41 -0.01 2.02 -1.32 -1.26 -0.96 115.64 112.51 3cft s THR 118 Ca 0.18 -0.22 0.03 0.00 -1.21 0.00 0.00 61.69 60.47 3cft s THR 118 Cb -0.06 -0.35 -0.00 0.00 -1.51 0.00 0.00 72.50 70.58 3cft s THR 118 CO 0.08 0.11 -0.10 -0.89 -2.21 0.00 0.00 174.62 171.61 3cft s THR 119 N -0.13 0.81 -0.21 5.08 2.01 -0.61 -4.99 115.64 117.60 3cft s THR 119 Ca 0.02 -0.42 -0.10 0.00 0.31 0.00 0.00 61.69 61.50 3cft s THR 119 Cb -0.02 -0.69 -0.05 0.00 0.01 0.00 0.00 72.50 71.75 3cft s THR 119 CO -0.00 0.24 0.12 0.00 -0.69 0.00 0.00 174.62 174.29 3cft s ALA 120 N -0.12 3.60 -0.28 7.40 0.00 -1.26 -0.68 121.76 130.41 3cft s ALA 120 Ca 0.02 -0.77 0.01 0.00 0.00 0.00 0.00 51.96 51.21 3cft s ALA 120 Cb -0.05 -2.17 0.06 0.00 0.00 0.00 0.00 23.12 20.96 3cft s ALA 120 CO -0.00 0.04 -0.05 0.08 0.00 0.00 0.00 175.76 175.82 3cft s VAL 121 N 0.61 2.57 -0.31 0.00 1.01 0.13 -4.97 120.40 119.44 3cft s VAL 121 Ca 0.07 -1.54 -0.04 0.00 0.00 0.00 0.00 61.98 60.47 3cft s VAL 121 Cb -0.12 -2.51 0.04 0.00 0.00 0.00 0.00 36.38 33.79 3cft s VAL 121 CO 0.01 -0.09 0.04 -0.69 0.00 0.00 0.00 175.10 174.37 3cft s VAL 122 N 1.17 3.34 0.31 2.92 1.01 -1.26 -0.66 120.40 127.23 3cft s VAL 122 Ca -0.07 -1.22 0.04 0.00 0.00 0.00 0.00 61.98 60.73 3cft s VAL 122 Cb -0.20 -2.88 -0.03 0.00 0.00 0.00 0.00 36.38 33.27 3cft s VAL 122 CO -0.03 -0.10 0.18 0.42 0.00 0.00 0.00 175.10 175.57 3cft s THR 123 N 1.33 0.25 -2.84 3.92 -4.23 -0.67 -4.76 115.64 108.64 3cft s THR 123 Ca -0.03 -2.00 0.25 0.00 -1.18 0.00 0.00 61.69 58.73 3cft s THR 123 Cb -0.19 -2.49 0.30 0.00 1.34 0.00 0.00 72.50 71.46 3cft s THR 123 CO 0.00 0.00 1.41 0.59 -0.54 0.00 0.00 174.62 176.09