#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f6a s ASN 2 N 0.00 6.91 -0.08 -1.43 -0.87 -1.26 -5.00 114.94 113.21 3f6a s ASN 2 Ca 0.00 1.54 0.10 0.00 -1.57 0.00 0.00 52.86 52.93 3f6a s ASN 2 Cb 0.00 -2.48 -0.15 0.00 -0.02 0.00 0.00 41.25 38.61 3f6a s ASN 2 CO 0.00 -0.27 0.10 -1.14 -2.57 0.00 0.00 177.10 173.23 3f6a n ARG 3 N -0.40 1.66 -1.74 -0.60 3.00 -1.26 -5.03 116.66 112.29 3f6a n ARG 3 Ca 0.05 -0.04 -0.11 0.00 -0.00 0.00 0.00 57.85 57.75 3f6a n ARG 3 Cb 0.53 -1.27 -0.03 0.00 0.00 0.00 0.00 32.46 31.69 3f6a n ARG 3 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 3f6a n HIS 4 N -2.24 -0.25 -1.50 -0.14 8.25 -1.26 -4.91 115.22 113.17 3f6a n HIS 4 Ca -0.13 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 56.97 3f6a n HIS 4 Cb 0.68 -2.32 0.09 0.00 1.12 0.00 0.00 29.99 29.55 3f6a n HIS 4 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3f6a n PHE 5 N -3.30 1.45 -4.31 4.41 3.72 -1.26 -4.75 117.46 113.42 3f6a n PHE 5 Ca -0.12 0.41 -0.16 0.00 -0.05 0.00 0.00 57.45 57.53 3f6a n PHE 5 Cb 0.47 -2.18 -0.10 0.00 -0.94 0.00 0.00 39.48 36.73 3f6a n PHE 5 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 3f6a s THR 6 N -1.66 0.85 0.13 4.37 -4.23 -0.77 -2.10 115.64 112.23 3f6a s THR 6 Ca 0.78 -2.01 0.05 0.00 -1.18 0.00 0.00 61.69 59.33 3f6a s THR 6 Cb -0.35 -2.38 -0.04 0.00 1.34 0.00 0.00 72.50 71.07 3f6a s THR 6 CO 0.45 -0.27 -0.11 0.68 -0.54 0.00 0.00 174.62 174.83 3f6a s VAL 7 N -3.54 1.15 -0.02 2.29 -7.23 -0.38 -1.15 120.40 111.51 3f6a s VAL 7 Ca 0.30 -1.86 0.01 0.00 -1.81 0.00 0.00 61.98 58.62 3f6a s VAL 7 Cb 0.06 -1.63 0.01 0.00 0.56 0.00 0.00 36.38 35.38 3f6a s VAL 7 CO 0.09 -0.61 -0.04 -0.44 -0.31 0.00 0.00 175.10 173.79 3f6a s SER 8 N -2.79 0.74 -0.07 4.85 0.01 -0.34 -1.96 113.70 114.15 3f6a s SER 8 Ca 0.12 -0.10 0.01 0.00 1.31 0.00 0.00 55.95 57.28 3f6a s SER 8 Cb -0.01 -0.26 0.02 0.00 0.21 0.00 0.00 66.02 65.99 3f6a s SER 8 CO 0.01 -0.01 -0.06 0.54 0.41 0.00 0.00 173.24 174.13 3f6a s VAL 9 N 0.48 0.77 -0.34 3.43 0.11 0.11 -0.73 120.40 124.23 3f6a s VAL 9 Ca -0.06 -0.21 -0.12 0.00 -2.93 0.00 0.00 61.98 58.66 3f6a s VAL 9 Cb -0.09 -0.78 -0.01 0.00 -1.53 0.00 0.00 36.38 33.97 3f6a s VAL 9 CO -0.00 0.29 0.21 -0.36 -3.33 0.00 0.00 175.10 171.91 3f6a s PHE 10 N 1.17 3.21 -0.22 1.54 0.08 -0.76 -2.19 117.98 120.82 3f6a s PHE 10 Ca -0.06 -0.42 -0.09 0.00 0.12 0.00 0.00 56.93 56.47 3f6a s PHE 10 Cb -0.14 -2.44 -0.05 0.00 -0.57 0.00 0.00 43.02 39.83 3f6a s PHE 10 CO -0.01 -0.43 0.12 0.42 -0.10 0.00 0.00 175.22 175.22 3f6a s ILE 11 N 1.67 5.17 -0.16 0.64 1.01 -1.26 -0.77 121.20 127.50 3f6a s ILE 11 Ca 0.05 0.11 -0.04 0.00 0.00 0.00 0.00 60.65 60.77 3f6a s ILE 11 Cb -0.17 -3.38 -0.03 0.00 0.01 0.00 0.00 42.46 38.89 3f6a s ILE 11 CO 0.09 0.39 -0.03 -0.69 0.00 0.00 0.00 174.94 174.70 3f6a s VAL 12 N 0.78 3.95 -0.12 2.92 1.01 0.75 -0.48 120.40 129.20 3f6a s VAL 12 Ca 0.06 -0.34 -0.00 0.00 0.00 0.00 0.00 61.98 61.70 3f6a s VAL 12 Cb -0.13 -2.74 0.03 0.00 0.00 0.00 0.00 36.38 33.54 3f6a s VAL 12 CO 0.02 0.49 -0.09 0.00 0.00 0.00 0.00 175.10 175.52 3f6a n LYS 14 N 4.91 0.00 -0.80 0.00 5.02 -1.26 -1.56 118.16 124.46 3f6a n LYS 14 Ca -0.13 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.12 3f6a n LYS 14 Cb 0.50 0.00 0.20 0.00 -0.02 0.00 0.00 35.03 35.71 3f6a n LYS 14 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3f6a n ASP 15 N 9.47 2.42 -4.09 4.39 8.00 -1.26 -4.50 116.55 130.97 3f6a n ASP 15 Ca 0.00 -3.80 -0.14 0.00 0.71 0.00 0.00 54.79 51.57 3f6a n ASP 15 Cb 0.00 -0.63 -0.11 0.00 -0.02 0.00 0.00 41.12 40.35 3f6a n ASP 15 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3f6a s LYS 16 N -3.25 0.61 0.06 -1.24 1.02 -0.60 -4.37 119.74 111.97 3f6a s LYS 16 Ca 0.44 -0.84 0.06 0.00 0.02 0.00 0.00 55.97 55.65 3f6a s LYS 16 Cb 0.41 -0.39 -0.04 0.00 -0.52 0.00 0.00 37.83 37.29 3f6a s LYS 16 CO -0.01 0.07 -0.12 0.54 -0.92 0.00 0.00 175.35 174.92 3f6a s VAL 17 N -1.54 3.27 -0.11 3.17 0.11 0.37 -0.70 120.40 124.97 3f6a s VAL 17 Ca -0.07 -1.14 -0.11 0.00 -2.93 0.00 0.00 61.98 57.74 3f6a s VAL 17 Cb -0.09 -2.47 -0.05 0.00 -1.53 0.00 0.00 36.38 32.25 3f6a s VAL 17 CO 0.00 0.24 0.24 -0.22 -3.33 0.00 0.00 175.10 172.03 3f6a s LEU 18 N -1.82 4.35 0.02 2.54 2.96 0.37 -0.12 118.68 126.98 3f6a s LEU 18 Ca 0.19 0.57 -0.03 0.00 -0.22 0.00 0.00 54.13 54.64 3f6a s LEU 18 Cb -0.11 -2.28 -0.02 0.00 0.50 0.00 0.00 46.19 44.29 3f6a s LEU 18 CO 0.10 0.28 0.03 -0.76 -1.32 0.00 0.00 176.35 174.68 3f6a s LEU 19 N -0.49 2.05 0.16 -0.68 1.43 -0.62 -4.37 118.68 116.16 3f6a s LEU 19 Ca 0.17 -0.50 0.07 0.00 -1.03 0.00 0.00 54.13 52.84 3f6a s LEU 19 Cb -0.13 0.31 -0.04 0.00 0.03 0.00 0.00 46.19 46.36 3f6a s LEU 19 CO 0.06 -0.38 -0.15 -1.38 0.23 0.00 0.00 176.35 174.73 3f6a s HIS 20 N -1.90 1.59 -0.04 0.29 -3.43 -0.08 -0.81 115.29 110.91 3f6a s HIS 20 Ca -0.11 -0.56 -0.23 0.00 -0.80 0.00 0.00 55.06 53.36 3f6a s HIS 20 Cb -0.06 -0.79 -0.04 0.00 -1.43 0.00 0.00 32.58 30.26 3f6a s HIS 20 CO -0.02 0.25 0.68 -1.17 -2.00 0.00 0.00 174.74 172.48 3f6a s LEU 21 N -2.84 4.36 -1.06 5.38 2.96 0.35 -1.01 118.68 126.83 3f6a s LEU 21 Ca 0.15 1.21 -0.10 0.00 -0.22 0.00 0.00 54.13 55.18 3f6a s LEU 21 Cb -0.03 -3.06 0.26 0.00 0.50 0.00 0.00 46.19 43.86 3f6a s LEU 21 CO 0.05 -0.04 1.05 -1.00 -1.32 0.00 0.00 176.35 175.09 3f6a s HIS 22 N 0.43 4.15 0.13 5.38 3.76 -1.03 -4.69 115.29 123.41 3f6a s HIS 22 Ca 0.36 -2.54 -0.07 0.00 -0.15 0.00 0.00 55.06 52.66 3f6a s HIS 22 Cb -0.18 -3.85 0.17 0.00 1.11 0.00 0.00 32.58 29.83 3f6a s HIS 22 CO 0.18 -0.97 0.78 1.63 -0.85 0.00 0.00 174.74 175.51 3f6a n LYS 23 N 3.04 -0.09 -2.03 1.40 5.02 -1.26 -2.10 118.16 122.15 3f6a n LYS 23 Ca 0.22 0.77 -0.42 0.00 -2.02 0.00 0.00 58.31 56.86 3f6a n LYS 23 Cb 0.41 -1.15 -0.03 0.00 -0.02 0.00 0.00 35.03 34.24 3f6a n LYS 23 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 3f6a s LYS 24 N -5.54 4.21 0.00 1.97 2.36 -1.26 -1.49 119.74 119.99 3f6a s LYS 24 Ca -0.07 2.19 0.00 0.00 -2.55 0.00 0.00 55.97 55.54 3f6a s LYS 24 Cb 0.12 -3.78 0.00 0.00 -1.05 0.00 0.00 37.83 33.12 3f6a s LYS 24 CO 0.37 -0.75 0.00 0.00 1.55 0.00 0.00 175.35 176.52 3f6a n ALA 25 N 6.27 0.00 -0.76 3.13 0.00 -1.25 -4.82 120.51 123.08 3f6a n ALA 25 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 3f6a n ALA 25 Cb 0.42 -0.64 0.00 0.00 0.00 0.00 0.00 19.45 19.24 3f6a n ALA 25 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3f6a n LYS 26 N -1.33 0.00 0.00 0.00 5.02 -0.55 -5.04 118.16 116.26 3f6a n LYS 26 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3f6a n LYS 26 Cb 0.19 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.20 3f6a n LYS 26 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3f6a n LYS 27 N 8.78 0.00 0.00 1.97 5.02 -1.25 -3.97 118.16 128.72 3f6a n LYS 27 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3f6a n LYS 27 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 3f6a n LYS 27 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3f6a n LEU 29 N 0.00 0.00 -4.73 -0.35 4.32 -0.18 -2.47 117.00 113.59 3f6a n LEU 29 Ca 0.00 0.00 -0.29 0.00 -0.02 0.00 0.00 56.01 55.70 3f6a n LEU 29 Cb 0.00 0.00 0.16 0.00 -1.62 0.00 0.00 43.42 41.96 3f6a n LEU 29 CO 0.00 0.00 0.68 -2.16 -1.22 0.00 0.00 177.39 174.69 3f6a s PRO 30 N -2.00 0.62 0.63 3.23 0.04 -1.26 -0.90 135.00 135.36 3f6a s PRO 30 Ca 0.00 0.31 -0.13 0.00 0.04 0.00 0.00 61.00 61.22 3f6a s PRO 30 Cb 0.00 -1.78 -0.02 0.00 0.04 0.00 0.00 34.50 32.74 3f6a s PRO 30 CO 0.00 -2.55 1.05 -0.51 0.04 0.00 0.00 177.00 175.02 3f6a s LEU 31 N -6.28 3.33 0.00 -3.56 1.43 -0.93 -4.73 118.68 107.94 3f6a s LEU 31 Ca 0.65 1.66 0.00 0.00 -1.03 0.00 0.00 54.13 55.41 3f6a s LEU 31 Cb -0.15 -4.51 0.00 0.00 0.03 0.00 0.00 46.19 41.56 3f6a s LEU 31 CO 0.55 -1.17 0.00 0.61 0.23 0.00 0.00 176.35 176.57 3f6a n GLY 32 N -1.67 -0.33 0.00 -3.19 0.00 -1.26 0.04 105.19 98.78 3f6a n GLY 32 Ca 0.08 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.78 3f6a n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f6a n GLY 33 N 0.00 0.01 3.79 -0.02 0.00 -0.83 -4.98 105.19 103.17 3f6a n GLY 33 Ca 0.00 -1.48 -0.33 0.00 0.00 0.00 0.00 46.02 44.21 3f6a n GLY 33 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3f6a s HIS 34 N -2.86 2.89 -0.16 1.61 3.76 -1.26 -1.25 115.29 118.01 3f6a s HIS 34 Ca 0.00 1.52 -0.12 0.00 -0.15 0.00 0.00 55.06 56.31 3f6a s HIS 34 Cb 0.00 -3.05 -0.05 0.00 1.11 0.00 0.00 32.58 30.59 3f6a s HIS 34 CO 0.00 -1.27 0.24 0.42 -0.85 0.00 0.00 174.74 173.28 3f6a s ILE 35 N -2.43 5.34 0.66 0.60 1.01 -0.89 -4.85 121.20 120.64 3f6a s ILE 35 Ca 0.64 0.43 -0.15 0.00 0.00 0.00 0.00 60.65 61.58 3f6a s ILE 35 Cb -0.17 -3.57 -0.00 0.00 0.01 0.00 0.00 42.46 38.73 3f6a s ILE 35 CO 0.38 0.43 1.10 -1.61 0.00 0.00 0.00 174.94 175.24 3f6a s GLU 36 N 0.26 2.83 0.26 2.79 2.02 -1.26 -4.84 118.70 120.75 3f6a s GLU 36 Ca 0.14 1.34 -0.31 0.00 0.02 0.00 0.00 54.97 56.16 3f6a s GLU 36 Cb -0.12 -1.96 -0.12 0.00 0.10 0.00 0.00 34.13 32.03 3f6a s GLU 36 CO 0.03 -1.22 1.62 0.28 0.02 0.00 0.00 175.26 175.99 3f6a n VAL 37 N -2.47 0.65 -1.99 2.63 0.31 -1.26 -1.90 118.33 114.30 3f6a n VAL 37 Ca 0.10 -0.16 -0.15 0.00 -0.01 0.00 0.00 64.34 64.12 3f6a n VAL 37 Cb 0.52 -1.92 -0.03 0.00 -0.91 0.00 0.00 33.84 31.51 3f6a n VAL 37 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3f6a n ASN 38 N 2.78 -4.62 -4.33 4.52 3.02 -1.26 -5.02 115.26 110.36 3f6a n ASN 38 Ca 0.11 0.12 -0.32 0.00 -0.03 0.00 0.00 54.58 54.47 3f6a n ASN 38 Cb 0.35 -3.65 -0.16 0.00 -0.61 0.00 0.00 39.78 35.72 3f6a n ASN 38 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3f6a s GLU 39 N -4.23 2.51 0.37 3.52 2.12 -0.80 -5.12 118.70 117.06 3f6a s GLU 39 Ca 0.00 -0.85 -0.26 0.00 0.36 0.00 0.00 54.97 54.22 3f6a s GLU 39 Cb 0.00 -2.21 -0.09 0.00 0.26 0.00 0.00 34.13 32.09 3f6a s GLU 39 CO 0.00 0.46 1.07 -0.51 -0.54 0.00 0.00 175.26 175.74 3f6a s LEU 40 N -0.34 4.26 0.26 2.70 1.43 -1.26 -4.73 118.68 121.00 3f6a s LEU 40 Ca 0.02 2.12 -0.01 0.00 -1.03 0.00 0.00 54.13 55.22 3f6a s LEU 40 Cb -0.12 -4.02 0.53 0.00 0.03 0.00 0.00 46.19 42.60 3f6a s LEU 40 CO 0.02 -0.41 1.75 -0.65 0.23 0.00 0.00 176.35 177.29 3f6a h PRO 41 N 2.87 0.54 -0.54 1.29 0.11 -1.99 0.94 132.00 135.23 3f6a h PRO 41 Ca -0.48 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.56 3f6a h PRO 41 Cb 1.22 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.18 3f6a h PRO 41 CO 0.64 0.36 0.19 1.05 -0.21 0.00 0.00 178.00 180.02 3f6a h GLU 42 N 0.56 0.80 -0.24 1.05 4.11 -1.92 -1.41 114.58 117.53 3f6a h GLU 42 Ca 0.46 -0.13 -0.10 0.00 0.07 0.00 0.00 59.36 59.66 3f6a h GLU 42 Cb 0.68 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 3f6a h GLU 42 CO -0.38 0.68 -0.28 0.93 0.07 0.00 0.00 179.01 180.03 3f6a h GLU 43 N 0.78 0.47 -0.74 1.06 4.39 -1.27 -2.41 114.58 116.86 3f6a h GLU 43 Ca 0.18 -0.19 -0.05 0.00 0.34 0.00 0.00 59.36 59.65 3f6a h GLU 43 Cb 0.20 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.79 3f6a h GLU 43 CO -0.01 0.71 0.27 0.00 -1.16 0.00 0.00 179.01 178.82 3f6a h ALA 44 N 1.29 1.08 -0.24 3.43 0.00 -0.05 -0.52 119.26 124.25 3f6a h ALA 44 Ca 0.06 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3f6a h ALA 44 Cb 0.70 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3f6a h ALA 44 CO 0.05 0.64 0.12 0.00 0.00 0.00 0.00 179.25 180.07 3f6a h ILE 46 N 0.27 1.26 0.06 0.00 2.04 -1.24 -1.52 117.51 118.38 3f6a h ILE 46 Ca 0.08 -0.91 -0.00 0.00 1.00 0.00 0.00 64.86 65.03 3f6a h ILE 46 Cb 0.10 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 36.66 3f6a h ILE 46 CO -0.01 0.35 -0.03 -0.09 0.00 0.00 0.00 178.15 178.37 3f6a h ARG 47 N 1.07 -0.08 0.00 2.37 2.43 -0.87 -2.62 114.38 116.69 3f6a h ARG 47 Ca 0.23 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.37 3f6a h ARG 47 Cb 0.31 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 3f6a h ARG 47 CO -0.01 0.11 -0.20 0.93 -1.51 0.00 0.00 179.97 179.29 3f6a h GLU 48 N -0.26 0.00 -0.38 0.20 5.08 -0.69 -0.59 114.58 117.93 3f6a h GLU 48 Ca -0.01 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.19 3f6a h GLU 48 Cb 0.23 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 3f6a h GLU 48 CO 0.01 0.20 -0.39 0.00 -1.00 0.00 0.00 179.01 177.84 3f6a h ALA 49 N 1.80 0.59 -0.28 3.43 0.00 -1.15 0.19 119.26 123.83 3f6a h ALA 49 Ca -0.00 -0.45 -0.07 0.00 0.00 0.00 0.00 54.91 54.38 3f6a h ALA 49 Cb 0.55 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3f6a h ALA 49 CO 0.03 0.68 -0.11 0.87 0.00 0.00 0.00 179.25 180.72 3f6a h LYS 50 N 0.75 0.57 -0.07 0.00 1.57 -1.04 -1.29 116.57 117.06 3f6a h LYS 50 Ca 0.06 -0.24 -0.22 0.00 -1.87 0.00 0.00 60.65 58.38 3f6a h LYS 50 Cb 0.98 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 33.28 3f6a h LYS 50 CO 0.09 0.80 -0.82 0.93 -0.57 0.00 0.00 179.45 179.88 3f6a h GLU 51 N 0.32 0.68 0.00 3.15 5.08 -1.05 0.17 114.58 122.94 3f6a h GLU 51 Ca 0.07 -0.64 0.00 0.00 -1.00 0.00 0.00 59.36 57.79 3f6a h GLU 51 Cb 0.61 0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.02 3f6a h GLU 51 CO 0.04 1.24 -0.65 0.39 -1.00 0.00 0.00 179.01 179.03 3f6a n GLU 52 N -3.98 0.28 0.00 2.33 1.02 0.65 -1.23 120.64 119.70 3f6a n GLU 52 Ca -0.09 0.08 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 3f6a n GLU 52 Cb 0.77 -1.67 0.00 0.00 -0.02 0.00 0.00 31.44 30.52 3f6a n GLU 52 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3f6a n ALA 53 N -1.81 0.12 -3.44 0.62 0.00 -0.54 -4.20 120.51 111.26 3f6a n ALA 53 Ca 0.03 -0.05 -0.25 0.00 0.00 0.00 0.00 53.44 53.17 3f6a n ALA 53 Cb 0.43 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.93 3f6a n ALA 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3f6a n GLY 54 N 0.00 -0.53 3.29 0.00 0.00 0.61 -1.17 105.19 107.39 3f6a n GLY 54 Ca 0.00 0.19 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 3f6a n GLY 54 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3f6a s LEU 55 N -7.03 2.05 -0.09 0.99 1.43 -0.94 -4.65 118.68 110.45 3f6a s LEU 55 Ca 0.49 -0.45 -0.17 0.00 -1.03 0.00 0.00 54.13 52.96 3f6a s LEU 55 Cb -0.23 -1.27 -0.05 0.00 0.03 0.00 0.00 46.19 44.67 3f6a s LEU 55 CO 0.61 0.30 0.46 0.20 0.23 0.00 0.00 176.35 178.15 3f6a s ASN 56 N -0.61 6.72 0.29 2.29 0.02 -1.26 -2.98 114.94 119.41 3f6a s ASN 56 Ca 0.10 0.85 0.03 0.00 -1.02 0.00 0.00 52.86 52.82 3f6a s ASN 56 Cb -0.10 -2.28 -0.06 0.00 0.02 0.00 0.00 41.25 38.84 3f6a s ASN 56 CO -0.01 0.09 0.06 0.68 0.02 0.00 0.00 177.10 177.94 3f6a s VAL 57 N 0.17 0.98 -0.16 1.60 -7.23 -1.26 -4.59 120.40 109.91 3f6a s VAL 57 Ca 0.25 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.41 3f6a s VAL 57 Cb -0.16 -2.70 0.04 0.00 0.56 0.00 0.00 36.38 34.12 3f6a s VAL 57 CO 0.11 -0.03 -0.06 -0.89 -0.31 0.00 0.00 175.10 173.92 3f6a s THR 58 N -3.45 1.12 0.34 5.32 2.01 -0.16 -4.96 115.64 115.86 3f6a s THR 58 Ca 0.36 -0.61 -0.27 0.00 0.31 0.00 0.00 61.69 61.48 3f6a s THR 58 Cb 0.08 -1.28 -0.09 0.00 0.01 0.00 0.00 72.50 71.22 3f6a s THR 58 CO 0.14 0.15 1.11 -0.76 -0.69 0.00 0.00 174.62 174.57 3f6a s LEU 59 N 1.63 4.35 -0.01 4.42 2.01 -1.26 -1.32 118.68 128.50 3f6a s LEU 59 Ca 0.01 2.23 -0.30 0.00 0.01 0.00 0.00 54.13 56.08 3f6a s LEU 59 Cb -0.15 -3.87 -0.07 0.00 0.01 0.00 0.00 46.19 42.10 3f6a s LEU 59 CO -0.08 -0.37 1.82 -0.47 1.01 0.00 0.00 176.35 178.26 3f6a s TYR 60 N -1.36 1.61 -0.40 0.29 5.04 -0.08 -4.93 117.35 117.53 3f6a s TYR 60 Ca 0.51 -0.14 0.03 0.00 -2.44 0.00 0.00 57.07 55.03 3f6a s TYR 60 Cb -0.29 -4.09 0.16 0.00 0.35 0.00 0.00 41.96 38.10 3f6a s TYR 60 CO 0.37 -4.74 0.32 1.21 -1.34 0.00 0.00 175.55 171.37 3f6a s ASN 61 N 3.94 1.67 -0.07 4.32 2.47 -1.26 -4.85 114.94 121.16 3f6a s ASN 61 Ca 0.81 -2.79 -0.30 0.00 0.42 0.00 0.00 52.86 51.00 3f6a s ASN 61 Cb -0.38 -0.33 -0.05 0.00 -1.45 0.00 0.00 41.25 39.04 3f6a s ASN 61 CO 0.36 -0.20 1.53 -2.16 -3.72 0.00 0.00 177.10 172.91 3f6a s PRO 62 N 0.35 4.21 -0.07 0.43 0.04 -1.26 -4.95 135.00 133.74 3f6a s PRO 62 Ca 0.29 2.05 -0.26 0.00 0.04 0.00 0.00 61.00 63.12 3f6a s PRO 62 Cb -0.03 -3.87 -0.03 0.00 0.04 0.00 0.00 34.50 30.62 3f6a s PRO 62 CO -0.14 -0.77 0.83 0.42 0.04 0.00 0.00 177.00 177.37 3f6a s ILE 63 N 3.65 4.94 -0.88 0.56 -1.09 -1.26 -4.99 121.20 122.13 3f6a s ILE 63 Ca 0.68 1.69 -0.20 0.00 -2.23 0.00 0.00 60.65 60.59 3f6a s ILE 63 Cb -0.31 -4.16 0.11 0.00 -1.58 0.00 0.00 42.46 36.53 3f6a s ILE 63 CO 0.26 0.16 1.11 -0.62 -1.23 0.00 0.00 174.94 174.62 3f6a s ASP 64 N 0.96 6.53 0.15 3.58 -1.08 -1.26 -4.92 116.67 120.63 3f6a s ASP 64 Ca 0.42 -1.81 -0.31 0.00 -0.52 0.00 0.00 52.55 50.33 3f6a s ASP 64 Cb -0.18 -2.41 -0.07 0.00 -1.46 0.00 0.00 42.92 38.80 3f6a s ASP 64 CO 0.19 -1.16 1.55 0.40 0.52 0.00 0.00 175.17 176.68 3f6a h ILE 65 N 5.92 0.01 -0.47 4.11 1.08 -1.99 0.13 117.51 126.30 3f6a h ILE 65 Ca 0.07 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.54 3f6a h ILE 65 Cb 1.03 0.01 -0.02 0.00 -3.07 0.00 0.00 36.82 34.77 3f6a h ILE 65 CO 1.14 0.00 0.29 0.78 -0.69 0.00 0.00 178.15 179.67 3f6a h ASN 66 N -0.26 0.55 0.05 1.72 2.35 -2.00 -2.01 115.58 115.98 3f6a h ASN 66 Ca 0.12 -0.02 -0.25 0.00 -0.55 0.00 0.00 56.30 55.59 3f6a h ASN 66 Cb 0.54 -0.14 0.01 0.00 0.05 0.00 0.00 38.32 38.79 3f6a h ASN 66 CO -0.71 0.43 -0.96 0.25 -1.65 0.00 0.00 177.43 174.79 3f6a h LEU 67 N 0.65 0.83 -0.26 1.61 5.85 -1.74 -2.05 115.31 120.20 3f6a h LEU 67 Ca 0.17 -0.63 -0.00 0.00 0.84 0.00 0.00 57.88 58.25 3f6a h LEU 67 Cb -0.03 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.74 3f6a h LEU 67 CO -0.03 1.43 0.14 0.50 -0.34 0.00 0.00 178.44 180.14 3f6a h LYS 68 N 0.39 0.36 0.16 1.25 3.64 -0.46 0.29 116.57 122.20 3f6a h LYS 68 Ca -0.10 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.23 3f6a h LYS 68 Cb 1.61 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.36 3f6a h LYS 68 CO 0.19 0.32 -0.08 0.87 -2.27 0.00 0.00 179.45 178.47 3f6a h LYS 69 N 0.31 -0.21 -0.82 1.90 1.57 -1.43 -2.50 116.57 115.40 3f6a h LYS 69 Ca 0.09 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.90 3f6a h LYS 69 Cb 0.06 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.38 3f6a h LYS 69 CO -0.01 -0.02 0.54 0.66 -0.57 0.00 0.00 179.45 180.04 3f6a h SER 70 N -0.36 0.92 -0.47 0.86 4.64 -1.29 -2.04 113.55 115.81 3f6a h SER 70 Ca -0.02 -0.02 0.01 0.00 -0.47 0.00 0.00 61.79 61.29 3f6a h SER 70 Cb 0.29 -0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 62.12 3f6a h SER 70 CO 0.04 0.66 0.29 0.00 -0.87 0.00 0.00 176.83 176.95 3f6a h ASP 72 N 0.60 0.00 0.36 0.00 3.32 -0.93 0.15 116.42 119.92 3f6a h ASP 72 Ca 0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.23 3f6a h ASP 72 Cb -0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.53 3f6a h ASP 72 CO -0.06 0.02 -0.29 0.18 -1.72 0.00 0.00 179.24 177.36 3f6a n LEU 73 N -3.32 0.76 -0.30 1.55 4.77 0.14 -3.92 117.00 116.68 3f6a n LEU 73 Ca -0.02 -0.12 0.03 0.00 -0.03 0.00 0.00 56.01 55.87 3f6a n LEU 73 Cb 0.13 -0.18 0.04 0.00 -2.33 0.00 0.00 43.42 41.08 3f6a n LEU 73 CO 0.24 0.15 0.41 -1.20 -1.33 0.00 0.00 177.39 175.66 3f6a n SER 74 N -0.97 1.80 0.00 -1.43 7.64 0.47 -4.98 113.62 116.15 3f6a n SER 74 Ca 0.10 -1.45 0.00 0.00 1.01 0.00 0.00 58.87 58.54 3f6a n SER 74 Cb 0.33 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.50 3f6a n SER 74 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3f6a n GLY 75 N 0.33 0.50 3.64 0.23 0.00 -0.89 -5.05 105.19 103.95 3f6a n GLY 75 Ca 0.05 -0.53 -0.29 0.00 0.00 0.00 0.00 46.02 45.25 3f6a n GLY 75 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3f6a s GLU 76 N -1.02 2.00 -0.04 1.61 2.02 -0.84 -5.05 118.70 117.38 3f6a s GLU 76 Ca 0.00 -2.20 0.05 0.00 0.02 0.00 0.00 54.97 52.84 3f6a s GLU 76 Cb 0.00 -1.38 -0.01 0.00 0.10 0.00 0.00 34.13 32.85 3f6a s GLU 76 CO 0.00 -0.23 -0.17 0.15 0.02 0.00 0.00 175.26 175.03 3f6a s LYS 77 N -3.80 1.67 -0.26 1.61 -0.14 -1.26 -3.61 119.74 113.95 3f6a s LYS 77 Ca 0.23 -0.60 -0.23 0.00 -1.36 0.00 0.00 55.97 54.01 3f6a s LYS 77 Cb 0.06 -1.49 -0.01 0.00 -1.68 0.00 0.00 37.83 34.72 3f6a s LYS 77 CO 0.12 0.27 0.77 -1.17 -0.76 0.00 0.00 175.35 174.58 3f6a s LEU 78 N -0.07 4.08 0.60 3.17 2.96 -1.26 -5.04 118.68 123.12 3f6a s LEU 78 Ca -0.01 0.85 0.06 0.00 -0.22 0.00 0.00 54.13 54.81 3f6a s LEU 78 Cb -0.10 -3.08 0.09 0.00 0.50 0.00 0.00 46.19 43.60 3f6a s LEU 78 CO 0.01 -0.51 0.83 -0.76 -1.32 0.00 0.00 176.35 174.60 3f6a s LEU 79 N 2.80 3.13 -0.08 -0.68 1.43 -1.26 -5.05 118.68 118.97 3f6a s LEU 79 Ca 0.32 -0.60 -0.30 0.00 -1.03 0.00 0.00 54.13 52.53 3f6a s LEU 79 Cb -0.15 -1.93 -0.02 0.00 0.03 0.00 0.00 46.19 44.12 3f6a s LEU 79 CO 0.09 -1.44 1.11 -0.63 0.23 0.00 0.00 176.35 175.71 3f6a s ILE 80 N -2.79 4.51 0.25 -0.59 1.01 -1.26 -5.01 121.20 117.31 3f6a s ILE 80 Ca 0.62 1.80 -0.29 0.00 0.00 0.00 0.00 60.65 62.78 3f6a s ILE 80 Cb -0.06 -4.16 -0.09 0.00 0.01 0.00 0.00 42.46 38.16 3f6a s ILE 80 CO 0.40 0.00 0.95 0.21 0.00 0.00 0.00 174.94 176.50 3f6a s ASN 81 N 1.29 7.58 0.74 3.58 3.04 -1.26 -4.92 114.94 124.99 3f6a s ASN 81 Ca 0.52 1.96 -0.14 0.00 0.04 0.00 0.00 52.86 55.24 3f6a s ASN 81 Cb -0.22 -2.61 0.04 0.00 -1.54 0.00 0.00 41.25 36.93 3f6a s ASN 81 CO 0.20 0.11 1.18 -2.84 -3.04 0.00 0.00 177.10 172.71 3f6a s PRO 82 N -1.31 2.15 0.07 0.43 0.02 -1.26 -4.91 135.00 130.20 3f6a s PRO 82 Ca 0.42 1.65 -0.07 0.00 0.02 0.00 0.00 61.00 63.03 3f6a s PRO 82 Cb -0.26 -1.85 -0.27 0.00 0.02 0.00 0.00 34.50 32.15 3f6a s PRO 82 CO 0.32 -1.80 1.14 0.82 -0.33 0.00 0.00 177.00 177.15 3f6a h ILE 83 N -0.42 1.44 -3.69 2.83 1.08 0.26 -3.47 117.51 115.54 3f6a h ILE 83 Ca -0.47 -2.90 -0.08 0.00 -0.39 0.00 0.00 64.86 61.03 3f6a h ILE 83 Cb 1.28 2.88 -0.13 0.00 -3.07 0.00 0.00 36.82 37.78 3f6a h ILE 83 CO 0.50 0.85 -0.26 -1.00 -0.69 0.00 0.00 178.15 177.55 3f6a s HIS 84 N -2.74 0.11 -0.10 1.37 3.76 -1.14 -5.02 115.29 111.52 3f6a s HIS 84 Ca -0.05 -0.49 0.00 0.00 -0.15 0.00 0.00 55.06 54.37 3f6a s HIS 84 Cb 0.07 0.05 0.02 0.00 1.11 0.00 0.00 32.58 33.83 3f6a s HIS 84 CO 0.89 -0.65 -0.10 0.99 -0.85 0.00 0.00 174.74 175.03 3f6a s THR 85 N -3.88 1.12 0.02 1.30 2.01 -1.26 -1.32 115.64 113.63 3f6a s THR 85 Ca 0.08 -0.38 0.06 0.00 0.31 0.00 0.00 61.69 61.75 3f6a s THR 85 Cb 0.03 -1.09 -0.02 0.00 0.01 0.00 0.00 72.50 71.43 3f6a s THR 85 CO -0.08 0.37 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.42 3f6a s ILE 86 N 1.37 1.40 -0.32 1.82 1.01 -0.25 -4.97 121.20 121.26 3f6a s ILE 86 Ca -0.01 -0.95 -0.13 0.00 0.00 0.00 0.00 60.65 59.57 3f6a s ILE 86 Cb -0.14 -1.20 -0.03 0.00 0.01 0.00 0.00 42.46 41.10 3f6a s ILE 86 CO -0.05 0.24 0.26 -0.22 0.00 0.00 0.00 174.94 175.16 3f6a s LEU 87 N -0.83 4.34 0.00 2.97 2.96 -1.26 0.06 118.68 126.93 3f6a s LEU 87 Ca 0.06 -0.23 0.00 0.00 -0.22 0.00 0.00 54.13 53.73 3f6a s LEU 87 Cb -0.08 -2.19 0.00 0.00 0.50 0.00 0.00 46.19 44.43 3f6a s LEU 87 CO 0.01 -0.20 0.00 0.61 -1.32 0.00 0.00 176.35 175.44 3f6a n GLY 88 N 5.04 2.71 0.00 7.98 0.00 -0.05 -4.91 105.19 115.96 3f6a n GLY 88 Ca -0.12 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 44.93 3f6a n GLY 88 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3f6a n ASP 89 N -0.64 0.00 -4.60 1.61 5.75 -1.26 0.41 116.55 117.82 3f6a n ASP 89 Ca 0.00 -0.71 -0.39 0.00 -0.01 0.00 0.00 54.79 53.68 3f6a n ASP 89 Cb 0.00 0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.00 3f6a n ASP 89 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 3f6a s SER 95 N -0.25 6.24 0.18 -1.12 0.15 -1.26 -5.20 113.70 112.43 3f6a s SER 95 Ca 0.00 0.25 -0.21 0.00 0.70 0.00 0.00 55.95 56.69 3f6a s SER 95 Cb 0.00 -2.21 0.05 0.00 -1.71 0.00 0.00 66.02 62.16 3f6a s SER 95 CO 0.00 -0.19 0.58 -1.38 1.20 0.00 0.00 173.24 173.45 3f6a s HIS 96 N 2.06 -0.41 -0.10 3.44 -3.43 0.17 -5.14 115.29 111.88 3f6a s HIS 96 Ca 0.15 0.13 -0.20 0.00 -0.80 0.00 0.00 55.06 54.34 3f6a s HIS 96 Cb -0.16 0.52 -0.04 0.00 -1.43 0.00 0.00 32.58 31.48 3f6a s HIS 96 CO 0.10 -0.89 0.58 0.42 -2.00 0.00 0.00 174.74 172.95 3f6a s ILE 97 N -3.79 5.12 -0.13 -5.38 1.01 -1.26 -0.87 121.20 115.90 3f6a s ILE 97 Ca 0.03 1.16 0.02 0.00 0.00 0.00 0.00 60.65 61.86 3f6a s ILE 97 Cb -0.01 -3.91 -0.00 0.00 0.01 0.00 0.00 42.46 38.54 3f6a s ILE 97 CO -0.09 0.28 -0.19 -0.62 0.00 0.00 0.00 174.94 174.32 3f6a s ASP 98 N 0.74 3.48 -0.28 3.58 2.15 0.11 -1.85 116.67 124.60 3f6a s ASP 98 Ca 0.31 -0.48 -0.13 0.00 0.43 0.00 0.00 52.55 52.68 3f6a s ASP 98 Cb -0.16 -1.51 -0.04 0.00 -0.30 0.00 0.00 42.92 40.91 3f6a s ASP 98 CO 0.13 0.13 0.28 -0.36 -0.17 0.00 0.00 175.17 175.18 3f6a s PHE 99 N 0.54 3.23 -0.17 -5.34 0.08 -0.30 -1.09 117.98 114.93 3f6a s PHE 99 Ca -0.12 0.22 -0.11 0.00 0.12 0.00 0.00 56.93 57.04 3f6a s PHE 99 Cb -0.16 -2.48 -0.05 0.00 -0.57 0.00 0.00 43.02 39.76 3f6a s PHE 99 CO 0.04 -0.21 0.21 0.08 -0.10 0.00 0.00 175.22 175.24 3f6a s VAL 100 N 1.90 5.37 0.10 -0.44 1.01 -0.43 -1.20 120.40 126.71 3f6a s VAL 100 Ca 0.11 0.36 0.05 0.00 0.00 0.00 0.00 61.98 62.50 3f6a s VAL 100 Cb -0.16 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 3f6a s VAL 100 CO 0.11 0.45 -0.14 -0.31 0.00 0.00 0.00 175.10 175.21 3f6a s TYR 101 N 0.15 1.31 0.11 5.22 2.02 0.09 1.00 117.35 127.26 3f6a s TYR 101 Ca 0.13 -0.53 0.09 0.00 -0.37 0.00 0.00 57.07 56.39 3f6a s TYR 101 Cb -0.12 -0.70 -0.04 0.00 -0.40 0.00 0.00 41.96 40.69 3f6a s TYR 101 CO 0.02 0.10 -0.18 0.71 -1.57 0.00 0.00 175.55 174.62 3f6a s TYR 102 N -1.87 2.53 0.29 2.71 2.02 -1.26 -1.82 117.35 119.94 3f6a s TYR 102 Ca 0.05 -0.27 -0.12 0.00 -0.37 0.00 0.00 57.07 56.36 3f6a s TYR 102 Cb -0.06 -1.35 0.01 0.00 -0.40 0.00 0.00 41.96 40.16 3f6a s TYR 102 CO 0.02 0.38 0.56 0.00 -1.57 0.00 0.00 175.55 174.94 3f6a s ALA 103 N -1.13 -0.25 0.26 3.71 0.00 0.05 -0.90 121.76 123.50 3f6a s ALA 103 Ca 0.18 -0.91 0.08 0.00 0.00 0.00 0.00 51.96 51.31 3f6a s ALA 103 Cb -0.11 1.00 -0.05 0.00 0.00 0.00 0.00 23.12 23.96 3f6a s ALA 103 CO 0.10 -0.89 -0.12 0.95 0.00 0.00 0.00 175.76 175.80 3f6a s THR 104 N -3.57 1.89 0.14 0.00 -4.23 -0.44 -0.18 115.64 109.25 3f6a s THR 104 Ca 0.21 -2.22 -0.10 0.00 -1.18 0.00 0.00 61.69 58.41 3f6a s THR 104 Cb -0.02 -2.29 -0.00 0.00 1.34 0.00 0.00 72.50 71.53 3f6a s THR 104 CO 0.11 -0.42 0.27 0.28 -0.54 0.00 0.00 174.62 174.32 3f6a s THR 105 N -2.87 0.09 -0.05 3.99 -1.32 -0.87 -0.99 115.64 113.62 3f6a s THR 105 Ca 0.27 -1.25 0.22 0.00 -1.21 0.00 0.00 61.69 59.72 3f6a s THR 105 Cb 0.00 -1.64 -0.31 0.00 -1.51 0.00 0.00 72.50 69.04 3f6a s THR 105 CO 0.11 -0.39 0.53 0.35 -2.21 0.00 0.00 174.62 173.01 3f6a n THR 106 N -0.18 0.06 -4.32 5.08 -2.24 -1.26 -4.51 114.28 106.92 3f6a n THR 106 Ca -0.10 -0.51 -0.23 0.00 -2.27 0.00 0.00 64.05 60.94 3f6a n THR 106 Cb 0.63 -0.03 -0.13 0.00 -2.10 0.00 0.00 70.33 68.70 3f6a n THR 106 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3f6a s SER 107 N -4.60 2.29 0.27 3.42 0.15 -1.26 -4.95 113.70 109.01 3f6a s SER 107 Ca -0.07 -0.63 0.14 0.00 0.70 0.00 0.00 55.95 56.09 3f6a s SER 107 Cb 0.14 -0.13 0.14 0.00 -1.71 0.00 0.00 66.02 64.45 3f6a s SER 107 CO 0.90 0.05 1.47 -0.26 1.20 0.00 0.00 173.24 176.60 3f6a h PHE 108 N 4.31 0.00 -2.64 3.44 0.04 -1.97 -3.46 116.94 116.67 3f6a h PHE 108 Ca -0.44 0.00 -0.53 0.00 2.80 0.00 0.00 57.97 59.81 3f6a h PHE 108 Cb 1.18 0.00 0.04 0.00 2.20 0.00 0.00 35.95 39.37 3f6a h PHE 108 CO 0.59 0.58 1.03 -2.00 -0.60 0.00 0.00 178.31 177.91 3f6a s GLU 109 N -3.05 4.15 0.16 1.51 2.12 -1.26 -5.00 118.70 117.33 3f6a s GLU 109 Ca 0.03 2.52 0.10 0.00 0.36 0.00 0.00 54.97 57.98 3f6a s GLU 109 Cb 0.09 -3.40 -0.04 0.00 0.26 0.00 0.00 34.13 31.04 3f6a s GLU 109 CO 0.75 -0.77 -0.23 0.95 -0.54 0.00 0.00 175.26 175.42 3f6a s THR 110 N 2.09 2.11 -0.33 -1.70 -4.23 -1.26 -4.88 115.64 107.43 3f6a s THR 110 Ca 0.77 -1.85 0.03 0.00 -1.18 0.00 0.00 61.69 59.46 3f6a s THR 110 Cb -0.46 -1.94 0.16 0.00 1.34 0.00 0.00 72.50 71.61 3f6a s THR 110 CO 0.34 -0.09 0.43 -0.55 -0.54 0.00 0.00 174.62 174.20 3f6a s SER 111 N -2.38 0.39 0.42 3.99 0.15 -0.32 -4.97 113.70 110.99 3f6a s SER 111 Ca 0.15 -0.85 -0.23 0.00 0.70 0.00 0.00 55.95 55.72 3f6a s SER 111 Cb -0.08 1.04 -0.09 0.00 -1.71 0.00 0.00 66.02 65.17 3f6a s SER 111 CO 0.07 -0.30 1.05 -2.16 1.20 0.00 0.00 173.24 173.10 3f6a s PRO 112 N 2.07 4.07 0.89 5.44 0.04 -1.26 -2.53 135.00 143.71 3f6a s PRO 112 Ca 0.13 1.47 -0.13 0.00 0.04 0.00 0.00 61.00 62.51 3f6a s PRO 112 Cb -0.12 -2.41 0.13 0.00 0.04 0.00 0.00 34.50 32.13 3f6a s PRO 112 CO -0.18 -0.22 1.17 -1.21 0.04 0.00 0.00 177.00 176.61 3f6a s GLU 113 N -2.71 1.29 0.58 4.56 2.02 -0.37 -4.97 118.70 119.10 3f6a s GLU 113 Ca 0.60 0.13 -0.18 0.00 0.02 0.00 0.00 54.97 55.54 3f6a s GLU 113 Cb -0.20 -1.87 -0.04 0.00 0.10 0.00 0.00 34.13 32.12 3f6a s GLU 113 CO 0.25 -2.06 1.14 0.42 0.02 0.00 0.00 175.26 175.03 3f6a s ILE 114 N -3.45 3.08 -0.08 -1.63 -1.09 -1.26 -3.14 121.20 113.63 3f6a s ILE 114 Ca 0.65 0.63 0.00 0.00 -2.23 0.00 0.00 60.65 59.70 3f6a s ILE 114 Cb -0.12 -3.21 0.00 0.00 -1.58 0.00 0.00 42.46 37.55 3f6a s ILE 114 CO 0.52 -0.19 0.00 0.61 -1.23 0.00 0.00 174.94 174.65 3f6a n GLY 115 N 0.07 0.47 3.20 6.18 0.00 -1.26 -5.03 105.19 108.82 3f6a n GLY 115 Ca 0.12 -0.72 -0.16 0.00 0.00 0.00 0.00 46.02 45.26 3f6a n GLY 115 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3f6a s GLU 116 N -1.48 0.91 0.12 1.61 2.56 -1.19 -5.10 118.70 116.14 3f6a s GLU 116 Ca 0.00 -1.18 -0.35 0.00 0.00 0.00 0.00 54.97 53.43 3f6a s GLU 116 Cb 0.00 -0.67 -0.15 0.00 2.00 0.00 0.00 34.13 35.31 3f6a s GLU 116 CO 0.00 0.12 1.46 0.43 -0.56 0.00 0.00 175.26 176.70 3f6a n SER 117 N 0.56 2.36 0.13 -1.70 7.64 -1.26 -4.88 113.62 116.47 3f6a n SER 117 Ca -0.16 1.10 0.12 0.00 1.01 0.00 0.00 58.87 60.94 3f6a n SER 117 Cb 0.57 -1.31 0.06 0.00 -1.01 0.00 0.00 64.21 62.53 3f6a n SER 117 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 3f6a h LYS 118 N 5.22 0.00 -4.83 1.43 1.57 -1.93 -3.45 116.57 114.58 3f6a h LYS 118 Ca -0.46 0.00 -0.70 0.00 -1.87 0.00 0.00 60.65 57.62 3f6a h LYS 118 Cb 1.30 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 33.42 3f6a h LYS 118 CO 0.83 0.00 -0.19 0.42 -0.57 0.00 0.00 179.45 179.95 3f6a s ILE 119 N -3.31 5.07 -0.00 1.86 -1.09 -1.26 -4.95 121.20 117.53 3f6a s ILE 119 Ca 0.02 -0.43 0.06 0.00 -2.23 0.00 0.00 60.65 58.07 3f6a s ILE 119 Cb 0.09 -4.08 -0.03 0.00 -1.58 0.00 0.00 42.46 36.86 3f6a s ILE 119 CO 0.75 -0.49 -0.17 -0.76 -1.23 0.00 0.00 174.94 173.05 3f6a s LEU 120 N 2.16 2.62 -0.07 2.97 1.43 -1.26 -0.50 118.68 126.03 3f6a s LEU 120 Ca 0.12 -0.33 -0.07 0.00 -1.03 0.00 0.00 54.13 52.82 3f6a s LEU 120 Cb -0.18 -1.53 0.02 0.00 0.03 0.00 0.00 46.19 44.53 3f6a s LEU 120 CO 0.13 0.30 0.19 -0.54 0.23 0.00 0.00 176.35 176.65 3f6a s LYS 121 N -1.09 0.24 -0.09 1.70 1.02 0.01 -5.00 119.74 116.52 3f6a s LYS 121 Ca 0.13 0.23 -0.11 0.00 0.02 0.00 0.00 55.97 56.25 3f6a s LYS 121 Cb -0.11 0.11 -0.05 0.00 -0.52 0.00 0.00 37.83 37.27 3f6a s LYS 121 CO 0.03 -0.03 0.25 -1.58 -0.92 0.00 0.00 175.35 173.09 3f6a s TRP 122 N 0.02 3.62 -0.06 3.18 0.52 -1.26 -1.59 118.94 123.36 3f6a s TRP 122 Ca -0.01 0.68 0.03 0.00 0.02 0.00 0.00 56.10 56.83 3f6a s TRP 122 Cb -0.02 -2.11 0.00 0.00 -1.15 0.00 0.00 33.47 30.19 3f6a s TRP 122 CO 0.00 0.63 -0.16 0.71 0.02 0.00 0.00 176.95 178.15 3f6a s TYR 123 N -0.80 1.75 0.70 -1.98 2.02 0.82 -4.88 117.35 114.98 3f6a s TYR 123 Ca 0.18 -0.59 -0.02 0.00 -0.37 0.00 0.00 57.07 56.26 3f6a s TYR 123 Cb -0.14 -1.21 0.10 0.00 -0.40 0.00 0.00 41.96 40.32 3f6a s TYR 123 CO 0.07 -0.25 0.98 -1.54 -1.57 0.00 0.00 175.55 173.24 3f6a s SER 124 N 0.32 4.51 0.37 2.29 1.04 -1.26 -0.48 113.70 120.49 3f6a s SER 124 Ca -0.10 -0.13 0.06 0.00 0.48 0.00 0.00 55.95 56.26 3f6a s SER 124 Cb -0.14 -0.37 0.73 0.00 0.10 0.00 0.00 66.02 66.33 3f6a s SER 124 CO 0.04 -1.74 1.96 0.11 0.98 0.00 0.00 173.24 174.58 3f6a h LYS 125 N -0.50 0.50 -0.20 4.02 1.57 -2.00 -1.33 116.57 118.64 3f6a h LYS 125 Ca -0.39 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.28 3f6a h LYS 125 Cb 1.28 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.49 3f6a h LYS 125 CO 0.45 0.45 -0.00 1.49 -0.57 0.00 0.00 179.45 181.28 3f6a h GLU 126 N 0.50 0.35 -0.96 3.15 4.81 -1.97 -2.35 114.58 118.12 3f6a h GLU 126 Ca 0.12 -0.11 0.07 0.00 -0.13 0.00 0.00 59.36 59.31 3f6a h GLU 126 Cb 0.17 -0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.45 3f6a h GLU 126 CO -0.01 0.56 0.62 -0.44 -0.73 0.00 0.00 179.01 179.01 3f6a h ASP 127 N 0.11 0.96 -0.38 1.04 3.45 -1.78 -0.91 116.42 118.91 3f6a h ASP 127 Ca 0.06 0.01 -0.03 0.00 0.43 0.00 0.00 57.03 57.50 3f6a h ASP 127 Cb 0.40 -0.19 -0.02 0.00 -0.56 0.00 0.00 39.33 38.96 3f6a h ASP 127 CO 0.01 0.60 0.10 -0.07 -1.57 0.00 0.00 179.24 178.31 3f6a h LEU 128 N 1.08 0.56 -1.44 1.55 3.38 -1.12 -1.46 115.31 117.86 3f6a h LEU 128 Ca 0.42 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 58.12 3f6a h LEU 128 Cb 0.23 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3f6a h LEU 128 CO -0.17 0.63 -0.18 0.50 0.09 0.00 0.00 178.44 179.31 3f6a h LYS 129 N 0.46 0.14 0.00 1.13 3.64 -0.83 -3.12 116.57 118.00 3f6a h LYS 129 Ca 0.12 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3f6a h LYS 129 Cb 0.28 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 3f6a h LYS 129 CO -0.00 0.33 -0.75 -0.91 -2.27 0.00 0.00 179.45 175.84 3f6a h ASN 130 N 0.14 0.00 -4.16 4.20 2.35 -0.96 -3.48 115.58 113.67 3f6a h ASN 130 Ca 0.03 -0.17 -0.54 0.00 -0.55 0.00 0.00 56.30 55.07 3f6a h ASN 130 Cb 0.40 0.00 0.16 0.00 0.05 0.00 0.00 38.32 38.93 3f6a h ASN 130 CO 0.03 0.08 0.42 0.00 -1.65 0.00 0.00 177.43 176.31 3f6a s ALA 131 N -3.22 2.16 -0.68 -0.83 0.00 -0.57 -4.96 121.76 113.65 3f6a s ALA 131 Ca 0.04 0.98 0.09 0.00 0.00 0.00 0.00 51.96 53.07 3f6a s ALA 131 Cb 0.12 -3.50 -0.04 0.00 0.00 0.00 0.00 23.12 19.70 3f6a s ALA 131 CO 0.75 -1.84 0.52 0.72 0.00 0.00 0.00 175.76 175.90 3f6a n HIS 132 N -2.54 0.00 -2.08 0.00 8.25 -1.26 -4.69 115.22 112.90 3f6a n HIS 132 Ca 0.14 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.46 3f6a n HIS 132 Cb 0.50 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.66 3f6a n HIS 132 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3f6a n ASN 133 N -0.66 3.78 -4.03 0.41 0.23 -1.26 -5.01 115.26 108.72 3f6a n ASN 133 Ca 0.03 -3.47 -0.30 0.00 -0.53 0.00 0.00 54.58 50.31 3f6a n ASN 133 Cb 0.17 -0.39 -0.17 0.00 -2.08 0.00 0.00 39.78 37.32 3f6a n ASN 133 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 3f6a s ILE 134 N -4.10 1.56 0.60 1.53 1.01 -1.26 -3.77 121.20 116.78 3f6a s ILE 134 Ca 0.45 -0.64 -0.18 0.00 0.00 0.00 0.00 60.65 60.27 3f6a s ILE 134 Cb 0.39 -1.45 -0.03 0.00 0.01 0.00 0.00 42.46 41.38 3f6a s ILE 134 CO 0.00 0.46 1.18 -1.10 0.00 0.00 0.00 174.94 175.48 3f6a s GLN 135 N 1.32 2.98 0.24 2.79 -0.21 -1.26 -4.80 119.66 120.73 3f6a s GLN 135 Ca 0.01 1.73 -0.04 0.00 0.02 0.00 0.00 55.36 57.08 3f6a s GLN 135 Cb -0.13 -1.94 0.41 0.00 1.00 0.00 0.00 33.01 32.34 3f6a s GLN 135 CO -0.08 -1.17 1.80 1.49 -2.12 0.00 0.00 175.29 175.21 3f6a h GLU 136 N 0.78 0.70 -0.22 2.91 4.57 -1.99 -0.84 114.58 120.49 3f6a h GLU 136 Ca -0.50 -0.04 -0.07 0.00 -1.18 0.00 0.00 59.36 57.57 3f6a h GLU 136 Cb 1.28 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 29.70 3f6a h GLU 136 CO 0.55 0.47 -0.18 -2.95 -1.18 0.00 0.00 179.01 175.72 3f6a h ASN 137 N 0.72 0.38 -0.09 1.04 -1.07 -2.00 -0.88 115.58 113.68 3f6a h ASN 137 Ca 0.40 -0.10 -0.15 0.00 0.07 0.00 0.00 56.30 56.52 3f6a h ASN 137 Cb 0.42 -0.10 -0.01 0.00 -2.07 0.00 0.00 38.32 36.56 3f6a h ASN 137 CO -0.27 0.58 -0.46 0.40 0.07 0.00 0.00 177.43 177.75 3f6a h ILE 138 N 0.35 1.30 -0.52 6.14 1.08 -1.68 -2.99 117.51 121.20 3f6a h ILE 138 Ca 0.06 -1.65 -0.04 0.00 -0.39 0.00 0.00 64.86 62.84 3f6a h ILE 138 Cb 0.53 1.60 -0.02 0.00 -3.07 0.00 0.00 36.82 35.85 3f6a h ILE 138 CO 0.03 0.52 0.17 -0.07 -0.69 0.00 0.00 178.15 178.12 3f6a h LEU 139 N 0.51 0.76 -1.00 1.44 3.38 -0.58 -0.33 115.31 119.50 3f6a h LEU 139 Ca 0.03 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.80 3f6a h LEU 139 Cb 0.99 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.54 3f6a h LEU 139 CO 0.09 0.76 0.00 0.52 0.09 0.00 0.00 178.44 179.90 3f6a n VAL 140 N -4.48 0.00 0.00 1.22 0.31 -0.39 -1.51 118.33 113.48 3f6a n VAL 140 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 3f6a n VAL 140 Cb 0.19 -0.10 0.00 0.00 -0.91 0.00 0.00 33.84 33.02 3f6a n VAL 140 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3f6a n ALA 142 N 0.40 0.00 -0.04 3.52 0.00 -0.13 -1.48 120.51 122.78 3f6a n ALA 142 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 3f6a n ALA 142 Cb 0.05 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.54 3f6a n ALA 142 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3f6a h THR 143 N 0.00 1.29 -0.50 0.00 1.35 -1.51 -2.18 112.91 111.36 3f6a h THR 143 Ca 0.00 -1.63 -0.05 0.00 -0.55 0.00 0.00 66.41 64.18 3f6a h THR 143 Cb 0.00 1.55 -0.02 0.00 -1.73 0.00 0.00 68.15 67.95 3f6a h THR 143 CO 0.00 0.52 0.11 -0.33 -0.25 0.00 0.00 175.52 175.57 3f6a h GLU 144 N 0.56 0.82 -0.41 4.72 5.08 -1.52 0.13 114.58 123.96 3f6a h GLU 144 Ca 0.04 -0.20 0.03 0.00 -1.00 0.00 0.00 59.36 58.22 3f6a h GLU 144 Cb 0.99 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.10 3f6a h GLU 144 CO 0.09 0.79 0.21 0.00 -1.00 0.00 0.00 179.01 179.11 3f6a h ALA 145 N 0.99 0.52 0.02 3.43 0.00 -1.81 0.56 119.26 122.96 3f6a h ALA 145 Ca 0.16 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 3f6a h ALA 145 Cb 0.35 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3f6a h ALA 145 CO 0.00 -0.14 -0.01 -0.07 0.00 0.00 0.00 179.25 179.04 3f6a h LEU 146 N 0.43 -0.02 -1.21 0.00 4.07 -1.12 0.25 115.31 117.72 3f6a h LEU 146 Ca 0.18 -0.11 -0.01 0.00 0.08 0.00 0.00 57.88 58.01 3f6a h LEU 146 Cb 0.07 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.78 3f6a h LEU 146 CO -0.12 0.10 0.42 0.44 -1.08 0.00 0.00 178.44 178.21 3f6a h ASP 147 N -0.14 0.85 0.15 -0.43 3.32 -0.43 0.14 116.42 119.88 3f6a h ASP 147 Ca -0.00 -0.05 -0.27 0.00 0.02 0.00 0.00 57.03 56.73 3f6a h ASP 147 Cb 0.13 -0.21 0.03 0.00 0.22 0.00 0.00 39.33 39.50 3f6a h ASP 147 CO 0.00 0.66 -1.15 0.25 -1.72 0.00 0.00 179.24 177.28 3f6a h LEU 148 N 0.98 0.76 0.00 1.55 5.85 -0.75 -3.40 115.31 120.29 3f6a h LEU 148 Ca 0.25 -0.87 0.00 0.00 0.84 0.00 0.00 57.88 58.11 3f6a h LEU 148 Cb -0.03 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 40.76 3f6a h LEU 148 CO -0.05 1.56 -0.96 0.18 -0.34 0.00 0.00 178.44 178.83 3f6a n LEU 149 N -3.89 0.53 0.00 2.25 4.32 0.86 -5.09 117.00 115.98 3f6a n LEU 149 Ca -0.14 -0.38 0.07 0.00 -0.02 0.00 0.00 56.01 55.54 3f6a n LEU 149 Cb 0.95 0.00 0.39 0.00 -1.62 0.00 0.00 43.42 43.14 3f6a n LEU 149 CO 0.56 0.13 0.60 -1.84 -1.22 0.00 0.00 177.39 175.62