#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f6s s LYS 3 N 0.00 3.54 -0.13 1.43 1.02 -1.26 -1.64 119.74 122.70 3f6s s LYS 3 Ca 0.00 -0.58 0.01 0.00 0.02 0.00 0.00 55.97 55.42 3f6s s LYS 3 Cb 0.00 -2.91 0.02 0.00 -0.52 0.00 0.00 37.83 34.42 3f6s s LYS 3 CO 0.00 0.09 -0.14 0.08 -0.92 0.00 0.00 175.35 174.46 3f6s s VAL 4 N 0.75 1.49 -0.20 3.17 1.01 -0.56 -0.85 120.40 125.20 3f6s s VAL 4 Ca -0.02 -0.60 -0.13 0.00 0.00 0.00 0.00 61.98 61.23 3f6s s VAL 4 Cb -0.15 -1.39 -0.05 0.00 0.00 0.00 0.00 36.38 34.80 3f6s s VAL 4 CO 0.02 0.44 0.25 -0.22 0.00 0.00 0.00 175.10 175.59 3f6s s LEU 5 N 1.28 4.18 -0.30 3.92 2.96 -0.19 -1.13 118.68 129.40 3f6s s LEU 5 Ca -0.00 0.35 -0.01 0.00 -0.22 0.00 0.00 54.13 54.24 3f6s s LEU 5 Cb -0.14 -2.27 0.05 0.00 0.50 0.00 0.00 46.19 44.33 3f6s s LEU 5 CO -0.06 0.07 -0.00 -0.63 -1.32 0.00 0.00 176.35 174.40 3f6s s ILE 6 N 0.77 2.93 -0.19 6.68 1.01 0.01 0.27 121.20 132.67 3f6s s ILE 6 Ca 0.13 -1.43 -0.03 0.00 0.00 0.00 0.00 60.65 59.31 3f6s s ILE 6 Cb -0.13 -2.70 -0.01 0.00 0.01 0.00 0.00 42.46 39.63 3f6s s ILE 6 CO 0.04 -0.12 -0.06 -0.69 0.00 0.00 0.00 174.94 174.11 3f6s s VAL 7 N 1.23 3.39 0.09 2.92 1.01 0.38 -0.64 120.40 128.79 3f6s s VAL 7 Ca -0.05 -0.50 0.08 0.00 0.00 0.00 0.00 61.98 61.51 3f6s s VAL 7 Cb -0.20 -2.52 -0.03 0.00 0.00 0.00 0.00 36.38 33.63 3f6s s VAL 7 CO -0.02 0.45 -0.20 0.72 0.00 0.00 0.00 175.10 176.05 3f6s s PHE 8 N 1.11 1.74 -0.22 5.22 -0.12 -0.87 0.50 117.98 125.35 3f6s s PHE 8 Ca 0.01 -0.41 -0.03 0.00 -0.05 0.00 0.00 56.93 56.45 3f6s s PHE 8 Cb -0.15 -0.97 -0.00 0.00 -0.63 0.00 0.00 43.02 41.28 3f6s s PHE 8 CO -0.01 0.18 -0.06 0.20 -0.05 0.00 0.00 175.22 175.48 3f6s s GLY 9 N -1.80 1.58 -0.09 1.99 0.00 0.92 -0.65 107.32 109.27 3f6s s GLY 9 Ca 0.06 -1.19 -0.04 0.00 0.00 0.00 0.00 44.72 43.55 3f6s s GLY 9 CO 0.04 0.42 0.20 -0.45 0.00 0.00 0.00 173.10 173.30 3f6s s SER 10 N 1.45 0.01 -0.13 1.64 0.15 -1.26 -2.61 113.70 112.95 3f6s s SER 10 Ca 0.05 0.42 0.12 0.00 0.70 0.00 0.00 55.95 57.25 3f6s s SER 10 Cb -0.14 0.34 -0.17 0.00 -1.71 0.00 0.00 66.02 64.34 3f6s s SER 10 CO -0.05 -0.18 0.05 -1.20 1.20 0.00 0.00 173.24 173.06 3f6s n SER 11 N 4.52 1.60 -0.07 5.45 7.64 -1.26 -4.63 113.62 126.87 3f6s n SER 11 Ca -0.21 0.00 0.06 0.00 1.01 0.00 0.00 58.87 59.73 3f6s n SER 11 Cb 0.52 0.85 0.08 0.00 -1.01 0.00 0.00 64.21 64.64 3f6s n SER 11 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3f6s n THR 12 N -2.50 1.40 -0.12 0.44 -2.24 -1.26 -4.99 114.28 105.00 3f6s n THR 12 Ca -0.22 -1.62 0.00 0.00 -2.27 0.00 0.00 64.05 59.94 3f6s n THR 12 Cb 0.94 0.10 0.00 0.00 -2.10 0.00 0.00 70.33 69.27 3f6s n THR 12 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3f6s n GLY 13 N -0.98 0.78 0.12 3.38 0.00 -1.26 -4.97 105.19 102.26 3f6s n GLY 13 Ca 0.09 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.99 3f6s n GLY 13 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3f6s h ASN 14 N 0.00 -0.16 -0.65 1.61 2.35 -1.94 -0.65 115.58 116.14 3f6s h ASN 14 Ca 0.00 -0.36 -0.05 0.00 -0.55 0.00 0.00 56.30 55.34 3f6s h ASN 14 Cb 0.00 0.04 -0.03 0.00 0.05 0.00 0.00 38.32 38.38 3f6s h ASN 14 CO 0.00 0.32 0.22 0.74 -1.65 0.00 0.00 177.43 177.06 3f6s h THR 15 N -0.70 1.25 -0.71 2.81 2.02 -1.85 -1.61 112.91 114.11 3f6s h THR 15 Ca -0.02 -0.82 0.07 0.00 0.77 0.00 0.00 66.41 66.41 3f6s h THR 15 Cb 0.51 0.56 -0.06 0.00 -1.74 0.00 0.00 68.15 67.42 3f6s h THR 15 CO 0.03 0.32 0.39 -0.08 0.37 0.00 0.00 175.52 176.55 3f6s h GLU 16 N 0.93 0.67 -0.69 6.66 4.81 -1.85 0.23 114.58 125.35 3f6s h GLU 16 Ca 0.21 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.35 3f6s h GLU 16 Cb 0.27 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 3f6s h GLU 16 CO -0.01 0.45 0.22 1.03 -0.73 0.00 0.00 179.01 179.97 3f6s h SER 17 N 0.69 0.97 -0.27 1.04 0.87 -0.72 0.36 113.55 116.49 3f6s h SER 17 Ca 0.33 -0.17 -0.06 0.00 -1.23 0.00 0.00 61.79 60.66 3f6s h SER 17 Cb 0.25 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 3f6s h SER 17 CO -0.21 0.90 -0.06 0.40 -0.53 0.00 0.00 176.83 177.33 3f6s h ILE 18 N 1.01 1.28 -0.75 2.23 2.04 -0.39 -1.67 117.51 121.26 3f6s h ILE 18 Ca 0.22 -1.07 0.08 0.00 1.00 0.00 0.00 64.86 65.10 3f6s h ILE 18 Cb 0.27 1.43 -0.07 0.00 -0.74 0.00 0.00 36.82 37.71 3f6s h ILE 18 CO -0.01 0.34 0.42 0.00 0.00 0.00 0.00 178.15 178.90 3f6s h ALA 19 N 0.78 1.04 -0.63 1.87 0.00 -0.17 0.27 119.26 122.42 3f6s h ALA 19 Ca 0.07 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 3f6s h ALA 19 Cb 0.53 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 3f6s h ALA 19 CO 0.03 0.07 0.13 1.96 0.00 0.00 0.00 179.25 181.43 3f6s h GLN 20 N 0.73 1.02 -0.10 0.00 4.20 -0.17 -1.99 115.11 118.80 3f6s h GLN 20 Ca 0.35 -0.24 -0.03 0.00 0.06 0.00 0.00 58.65 58.79 3f6s h GLN 20 Cb 0.29 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 27.94 3f6s h GLN 20 CO -0.23 0.92 -0.04 -0.22 -0.67 0.00 0.00 178.83 178.60 3f6s h LYS 21 N 0.96 0.20 -0.50 1.46 1.63 -0.57 -2.88 116.57 116.88 3f6s h LYS 21 Ca 0.20 -0.08 0.08 0.00 -0.85 0.00 0.00 60.65 60.00 3f6s h LYS 21 Cb 0.38 -0.01 -0.07 0.00 -0.60 0.00 0.00 32.23 31.93 3f6s h LYS 21 CO 0.01 0.54 0.10 -0.07 -3.45 0.00 0.00 179.45 176.57 3f6s h LEU 22 N -0.14 0.00 -0.42 5.20 3.38 -0.38 -1.76 115.31 121.18 3f6s h LEU 22 Ca 0.02 0.09 0.07 0.00 0.09 0.00 0.00 57.88 58.15 3f6s h LEU 22 Cb 0.47 0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.28 3f6s h LEU 22 CO 0.01 0.03 0.08 -0.08 0.09 0.00 0.00 178.44 178.57 3f6s h GLU 23 N 0.24 0.20 -0.77 1.13 4.81 -1.34 -0.62 114.58 118.22 3f6s h GLU 23 Ca 0.25 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.46 3f6s h GLU 23 Cb 0.33 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.63 3f6s h GLU 23 CO -0.32 0.13 0.47 1.49 -0.73 0.00 0.00 179.01 180.05 3f6s h GLU 24 N 0.21 1.04 -0.09 1.92 4.81 -1.16 0.31 114.58 121.62 3f6s h GLU 24 Ca 0.21 -0.09 -0.03 0.00 -0.13 0.00 0.00 59.36 59.32 3f6s h GLU 24 Cb 0.26 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 29.42 3f6s h GLU 24 CO -0.28 0.73 -0.06 -0.07 -0.73 0.00 0.00 179.01 178.60 3f6s h LEU 25 N 1.05 0.22 -0.40 1.64 3.38 -1.01 -1.74 115.31 118.45 3f6s h LEU 25 Ca 0.28 -0.44 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 3f6s h LEU 25 Cb -0.05 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3f6s h LEU 25 CO -0.05 0.61 0.10 0.40 0.09 0.00 0.00 178.44 179.59 3f6s h ILE 26 N -0.18 1.23 -0.90 1.22 2.04 -0.96 -1.94 117.51 118.01 3f6s h ILE 26 Ca 0.02 -0.77 0.08 0.00 1.00 0.00 0.00 64.86 65.20 3f6s h ILE 26 Cb 0.54 0.97 -0.07 0.00 -0.74 0.00 0.00 36.82 37.52 3f6s h ILE 26 CO 0.02 0.27 0.56 0.00 0.00 0.00 0.00 178.15 178.99 3f6s h ALA 27 N 0.95 1.28 0.00 1.87 0.00 -0.41 0.19 119.26 123.14 3f6s h ALA 27 Ca 0.13 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3f6s h ALA 27 Cb 0.30 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3f6s h ALA 27 CO 0.00 0.25 0.00 0.00 0.00 0.00 0.00 179.25 179.50 3f6s h ALA 28 N 1.45 1.00 0.00 0.00 0.00 -0.81 0.11 119.26 121.00 3f6s h ALA 28 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.33 3f6s h ALA 28 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3f6s h ALA 28 CO -0.21 0.00 -0.18 0.78 0.00 0.00 0.00 179.25 179.63 3f6s h GLY 29 N 1.24 0.00 0.00 0.00 0.00 -0.21 -3.47 103.07 100.63 3f6s h GLY 29 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3f6s h GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 3f6s n GLY 30 N 1.27 1.04 3.96 4.60 0.00 0.36 -5.10 105.19 111.33 3f6s n GLY 30 Ca 0.04 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.85 3f6s n GLY 30 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3f6s s HIS 31 N -2.00 3.44 -0.15 1.61 4.02 -1.19 -4.73 115.29 116.29 3f6s s HIS 31 Ca 0.00 0.09 -0.21 0.00 1.02 0.00 0.00 55.06 55.96 3f6s s HIS 31 Cb 0.00 -1.72 -0.03 0.00 -1.02 0.00 0.00 32.58 29.81 3f6s s HIS 31 CO 0.00 0.29 0.64 -1.21 1.02 0.00 0.00 174.74 175.48 3f6s s GLU 32 N -4.11 4.29 0.11 1.40 8.01 -0.65 -4.26 118.70 123.48 3f6s s GLU 32 Ca 0.37 0.68 0.10 0.00 0.01 0.00 0.00 54.97 56.13 3f6s s GLU 32 Cb -0.09 -3.53 -0.04 0.00 -4.31 0.00 0.00 34.13 26.16 3f6s s GLU 32 CO 0.32 -0.12 -0.23 0.08 0.01 0.00 0.00 175.26 175.32 3f6s s VAL 33 N 1.50 2.52 -0.09 2.63 1.01 -1.26 -1.50 120.40 125.20 3f6s s VAL 33 Ca 0.31 -1.57 0.01 0.00 0.00 0.00 0.00 61.98 60.73 3f6s s VAL 33 Cb -0.16 -2.11 0.02 0.00 0.00 0.00 0.00 36.38 34.12 3f6s s VAL 33 CO 0.12 0.15 -0.10 -0.89 0.00 0.00 0.00 175.10 174.37 3f6s s THR 34 N -1.05 1.12 -0.23 3.92 2.01 -0.28 -4.96 115.64 116.18 3f6s s THR 34 Ca 0.15 -0.40 -0.12 0.00 0.31 0.00 0.00 61.69 61.63 3f6s s THR 34 Cb -0.10 -1.08 -0.05 0.00 0.01 0.00 0.00 72.50 71.28 3f6s s THR 34 CO 0.07 0.37 0.21 -0.22 -0.69 0.00 0.00 174.62 174.36 3f6s s LEU 35 N 1.21 4.14 -0.07 4.42 2.96 -1.26 -0.81 118.68 129.26 3f6s s LEU 35 Ca -0.04 0.22 0.00 0.00 -0.22 0.00 0.00 54.13 54.09 3f6s s LEU 35 Cb -0.14 -2.19 0.02 0.00 0.50 0.00 0.00 46.19 44.38 3f6s s LEU 35 CO -0.03 0.05 -0.06 -0.22 -1.32 0.00 0.00 176.35 174.77 3f6s s LEU 36 N 1.02 1.20 0.15 -0.68 0.20 0.19 -4.97 118.68 115.79 3f6s s LEU 36 Ca 0.10 -0.21 -0.30 0.00 0.69 0.00 0.00 54.13 54.41 3f6s s LEU 36 Cb -0.13 -0.64 -0.07 0.00 -0.43 0.00 0.00 46.19 44.91 3f6s s LEU 36 CO 0.04 -0.08 1.18 0.21 -0.29 0.00 0.00 176.35 177.41 3f6s s ASN 37 N 1.31 7.12 0.08 3.68 3.84 -1.26 -2.05 114.94 127.65 3f6s s ASN 37 Ca -0.04 2.14 0.13 0.00 0.21 0.00 0.00 52.86 55.30 3f6s s ASN 37 Cb -0.14 -2.60 0.58 0.00 -0.55 0.00 0.00 41.25 38.54 3f6s s ASN 37 CO -0.03 -0.37 1.41 0.00 -2.79 0.00 0.00 177.10 175.32 3f6s n ALA 38 N 2.91 1.42 0.12 1.71 0.00 0.18 -1.24 120.51 125.60 3f6s n ALA 38 Ca 0.05 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.51 3f6s n ALA 38 Cb 0.45 -1.21 0.01 0.00 0.00 0.00 0.00 19.45 18.71 3f6s n ALA 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3f6s h ALA 39 N 2.27 0.62 -0.17 0.00 0.00 -1.81 -3.29 119.26 116.88 3f6s h ALA 39 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.35 3f6s h ALA 39 Cb 0.18 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3f6s h ALA 39 CO 0.00 0.77 0.00 -0.25 0.00 0.00 0.00 179.25 179.77 3f6s n ASP 40 N -3.28 2.90 -4.86 0.00 8.00 -0.38 -5.02 116.55 113.92 3f6s n ASP 40 Ca 0.01 -1.87 -0.32 0.00 0.71 0.00 0.00 54.79 53.32 3f6s n ASP 40 Cb 0.77 -0.10 -0.06 0.00 -0.02 0.00 0.00 41.12 41.71 3f6s n ASP 40 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3f6s s ALA 41 N -1.51 3.39 -0.20 2.24 0.00 -1.08 -5.00 121.76 119.60 3f6s s ALA 41 Ca 0.28 -0.06 -0.01 0.00 0.00 0.00 0.00 51.96 52.17 3f6s s ALA 41 Cb 0.18 -2.68 0.01 0.00 0.00 0.00 0.00 23.12 20.63 3f6s s ALA 41 CO 0.26 0.35 -0.13 -1.12 0.00 0.00 0.00 175.76 175.12 3f6s s SER 42 N -2.37 3.66 0.30 0.00 0.01 -1.26 -5.02 113.70 109.02 3f6s s SER 42 Ca 0.52 -0.60 0.03 0.00 1.31 0.00 0.00 55.95 57.21 3f6s s SER 42 Cb -0.10 -1.58 0.63 0.00 0.21 0.00 0.00 66.02 65.17 3f6s s SER 42 CO 0.19 -0.02 1.83 0.00 0.41 0.00 0.00 173.24 175.65 3f6s h ALA 43 N 8.00 1.60 -1.89 1.44 0.00 -1.92 -3.37 119.26 123.12 3f6s h ALA 43 Ca -0.43 0.03 -0.61 0.00 0.00 0.00 0.00 54.91 53.91 3f6s h ALA 43 Cb 1.14 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.77 3f6s h ALA 43 CO 0.62 0.12 1.31 -1.91 0.00 0.00 0.00 179.25 179.39 3f6s n GLU 44 N -4.64 2.01 -1.77 0.00 4.07 -1.26 -1.19 120.64 117.86 3f6s n GLU 44 Ca 0.20 0.66 -0.20 0.00 -0.06 0.00 0.00 57.16 57.76 3f6s n GLU 44 Cb 0.42 -2.86 -0.07 0.00 -0.06 0.00 0.00 31.44 28.88 3f6s n GLU 44 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 3f6s n ASN 45 N 8.99 -5.36 -0.21 4.31 3.02 0.60 -4.86 115.26 121.75 3f6s n ASN 45 Ca 0.28 0.38 0.07 0.00 -0.03 0.00 0.00 54.58 55.28 3f6s n ASN 45 Cb 0.35 -4.68 0.34 0.00 -0.61 0.00 0.00 39.78 35.18 3f6s n ASN 45 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 3f6s h LEU 46 N 0.00 0.70 -0.12 3.41 5.85 -0.89 -1.14 115.31 123.12 3f6s h LEU 46 Ca -0.42 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.30 3f6s h LEU 46 Cb 1.31 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.20 3f6s h LEU 46 CO 0.59 0.44 -0.03 0.00 -0.34 0.00 0.00 178.44 179.10 3f6s n ALA 47 N -2.44 2.63 -1.69 1.25 0.00 -0.18 -4.88 120.51 115.20 3f6s n ALA 47 Ca 0.12 -0.21 -0.50 0.00 0.00 0.00 0.00 53.44 52.85 3f6s n ALA 47 Cb 0.26 -1.44 -0.05 0.00 0.00 0.00 0.00 19.45 18.22 3f6s n ALA 47 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3f6s n ASP 48 N -1.03 3.30 0.00 0.00 9.92 -0.43 -1.76 116.55 126.55 3f6s n ASP 48 Ca 0.18 0.99 0.00 0.00 -0.53 0.00 0.00 54.79 55.42 3f6s n ASP 48 Cb 0.22 -1.34 0.00 0.00 -0.64 0.00 0.00 41.12 39.36 3f6s n ASP 48 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3f6s n GLY 49 N 4.39 3.02 3.83 0.44 0.00 -1.26 -5.06 105.19 110.55 3f6s n GLY 49 Ca 0.23 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.89 3f6s n GLY 49 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3f6s s TYR 50 N -2.82 3.55 0.14 1.61 1.51 -0.72 -4.84 117.35 115.78 3f6s s TYR 50 Ca 0.00 0.50 -0.08 0.00 -1.01 0.00 0.00 57.07 56.48 3f6s s TYR 50 Cb 0.00 -2.02 -0.04 0.00 -0.11 0.00 0.00 41.96 39.79 3f6s s TYR 50 CO 0.00 0.60 1.39 -0.44 -1.11 0.00 0.00 175.55 175.99 3f6s h ASP 51 N 5.46 0.77 -5.02 2.29 3.32 -1.31 -3.47 116.42 118.46 3f6s h ASP 51 Ca -0.51 -0.48 -0.16 0.00 0.02 0.00 0.00 57.03 55.90 3f6s h ASP 51 Cb 1.21 -0.22 -0.20 0.00 0.22 0.00 0.00 39.33 40.33 3f6s h ASP 51 CO 0.63 1.25 -0.69 0.00 -1.72 0.00 0.00 179.24 178.71 3f6s s ALA 52 N -3.79 0.17 -0.05 3.45 0.00 -0.92 -1.84 121.76 118.78 3f6s s ALA 52 Ca -0.08 -0.68 0.01 0.00 0.00 0.00 0.00 51.96 51.20 3f6s s ALA 52 Cb 0.10 0.17 0.02 0.00 0.00 0.00 0.00 23.12 23.41 3f6s s ALA 52 CO 0.88 -0.19 -0.04 0.08 0.00 0.00 0.00 175.76 176.48 3f6s s VAL 53 N -1.84 0.53 -0.15 0.00 1.01 0.16 -1.02 120.40 119.08 3f6s s VAL 53 Ca -0.12 -0.10 -0.03 0.00 0.00 0.00 0.00 61.98 61.72 3f6s s VAL 53 Cb -0.07 -0.57 -0.02 0.00 0.00 0.00 0.00 36.38 35.72 3f6s s VAL 53 CO -0.02 0.23 -0.06 -0.76 0.00 0.00 0.00 175.10 174.49 3f6s s LEU 54 N 1.03 3.10 -0.23 3.92 1.43 0.14 -2.17 118.68 125.89 3f6s s LEU 54 Ca -0.09 -0.20 -0.05 0.00 -1.03 0.00 0.00 54.13 52.76 3f6s s LEU 54 Cb -0.14 -1.74 -0.01 0.00 0.03 0.00 0.00 46.19 44.33 3f6s s LEU 54 CO -0.01 0.15 -0.00 -0.36 0.23 0.00 0.00 176.35 176.37 3f6s s PHE 55 N 0.44 3.01 -0.02 0.29 0.40 -0.24 -0.47 117.98 121.39 3f6s s PHE 55 Ca -0.05 -0.77 0.01 0.00 -0.60 0.00 0.00 56.93 55.52 3f6s s PHE 55 Cb -0.15 -2.15 -0.03 0.00 0.51 0.00 0.00 43.02 41.19 3f6s s PHE 55 CO 0.03 -0.49 -0.01 0.20 0.70 0.00 0.00 175.22 175.65 3f6s s GLY 56 N 1.52 1.85 -0.30 4.36 0.00 0.18 -1.53 107.32 113.40 3f6s s GLY 56 Ca 0.06 -0.93 -0.09 0.00 0.00 0.00 0.00 44.72 43.76 3f6s s GLY 56 CO -0.01 -0.77 0.83 0.00 0.00 0.00 0.00 173.10 173.15 3f6s s SER 58 N 2.82 3.65 -0.15 0.00 1.04 -1.07 -4.35 113.70 115.64 3f6s s SER 58 Ca 0.07 1.02 -0.07 0.00 0.48 0.00 0.00 55.95 57.45 3f6s s SER 58 Cb -0.11 -1.63 -0.04 0.00 0.10 0.00 0.00 66.02 64.34 3f6s s SER 58 CO -0.17 -2.47 0.09 0.00 0.98 0.00 0.00 173.24 171.68 3f6s s ALA 59 N -3.25 3.59 -0.37 5.32 0.00 -1.09 -3.00 121.76 122.95 3f6s s ALA 59 Ca 0.63 -0.71 0.02 0.00 0.00 0.00 0.00 51.96 51.90 3f6s s ALA 59 Cb -0.15 -1.92 0.15 0.00 0.00 0.00 0.00 23.12 21.20 3f6s s ALA 59 CO 0.54 0.37 0.30 -1.58 0.00 0.00 0.00 175.76 175.38 3f6s s TRP 60 N -0.23 0.42 0.25 0.00 0.52 -0.95 -4.93 118.94 114.02 3f6s s TRP 60 Ca 0.09 -1.49 -0.03 0.00 0.02 0.00 0.00 56.10 54.68 3f6s s TRP 60 Cb -0.12 -0.72 0.41 0.00 -1.15 0.00 0.00 33.47 31.89 3f6s s TRP 60 CO 0.01 -0.88 1.82 0.78 0.02 0.00 0.00 176.95 178.70 3f6s h GLY 61 N 6.70 1.35 0.00 0.98 0.00 -1.84 -3.34 103.07 106.93 3f6s h GLY 61 Ca 0.10 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.07 3f6s h GLY 61 CO 0.25 0.17 0.00 1.03 0.00 0.00 0.00 176.54 177.99 3f6s n MET 62 N -4.69 3.01 0.00 4.80 2.81 -1.26 -4.50 117.12 117.29 3f6s n MET 62 Ca 0.14 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.03 3f6s n MET 62 Cb 0.27 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.78 3f6s n MET 62 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3f6s n GLU 63 N 0.00 0.00 -2.21 0.03 1.02 -1.26 -4.18 120.64 114.03 3f6s n GLU 63 Ca 0.00 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.72 3f6s n GLU 63 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.39 3f6s n GLU 63 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3f6s s ASP 64 N -2.91 6.87 -0.36 1.62 1.01 -1.26 -4.85 116.67 116.79 3f6s s ASP 64 Ca 0.00 2.28 -0.17 0.00 0.71 0.00 0.00 52.55 55.37 3f6s s ASP 64 Cb 0.00 -2.59 -0.18 0.00 1.01 0.00 0.00 42.92 41.16 3f6s s ASP 64 CO 0.00 -0.61 1.44 0.18 0.21 0.00 0.00 175.17 176.38 3f6s n LEU 65 N 3.82 0.06 0.00 1.23 4.77 -1.26 -4.29 117.00 121.34 3f6s n LEU 65 Ca 0.11 -1.63 0.00 0.00 -0.03 0.00 0.00 56.01 54.46 3f6s n LEU 65 Cb 0.43 -0.84 0.00 0.00 -2.33 0.00 0.00 43.42 40.67 3f6s n LEU 65 CO 0.58 -2.30 0.00 1.21 -1.33 0.00 0.00 177.39 175.55 3f6s n GLU 66 N 6.44 0.00 -3.92 3.23 2.13 -1.25 -4.86 120.64 122.41 3f6s n GLU 66 Ca 0.26 0.00 -0.21 0.00 0.66 0.00 0.00 57.16 57.87 3f6s n GLU 66 Cb 0.42 -0.06 -0.02 0.00 0.27 0.00 0.00 31.44 32.06 3f6s n GLU 66 CO 0.00 0.00 0.00 -1.64 -0.41 0.00 0.00 177.13 175.08 3f6s s MET 67 N 0.00 3.39 0.32 5.31 -1.94 -1.26 -2.25 119.30 122.87 3f6s s MET 67 Ca 0.00 -0.80 -0.29 0.00 -1.71 0.00 0.00 55.69 52.89 3f6s s MET 67 Cb 0.00 -2.87 -0.12 0.00 2.01 0.00 0.00 34.83 33.84 3f6s s MET 67 CO 0.00 0.39 1.40 0.94 -0.01 0.00 0.00 175.02 177.74 3f6s n GLN 68 N -1.43 2.31 -0.01 2.03 0.00 -1.16 -4.68 117.38 114.44 3f6s n GLN 68 Ca -0.08 0.81 -0.00 0.00 -0.00 0.00 0.00 57.00 57.73 3f6s n GLN 68 Cb 0.57 -2.47 -0.00 0.00 0.00 0.00 0.00 30.24 28.34 3f6s n GLN 68 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 3f6s n ASP 69 N 1.22 -0.01 0.24 1.69 10.43 -1.26 -1.69 116.55 127.17 3f6s n ASP 69 Ca 0.06 0.61 0.12 0.00 2.57 0.00 0.00 54.79 58.15 3f6s n ASP 69 Cb 0.36 -0.30 0.58 0.00 1.84 0.00 0.00 41.12 43.60 3f6s n ASP 69 CO 0.00 0.00 0.00 0.44 -1.07 0.00 0.00 177.20 176.57 3f6s h ASP 70 N 0.00 0.00 0.93 -2.24 3.32 -1.91 -2.61 116.42 113.91 3f6s h ASP 70 Ca 0.00 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.87 3f6s h ASP 70 Cb 0.00 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.53 3f6s h ASP 70 CO -0.01 0.15 -0.85 0.15 -1.72 0.00 0.00 179.24 176.96 3f6s h PHE 71 N 0.00 0.00 -0.46 4.55 3.57 -1.61 -3.27 116.94 119.73 3f6s h PHE 71 Ca -0.00 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.39 3f6s h PHE 71 Cb 0.60 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.33 3f6s h PHE 71 CO 0.00 0.85 -0.13 1.25 -2.23 0.00 0.00 178.31 178.05 3f6s h LEU 72 N 0.00 0.90 -0.93 0.59 5.85 -0.95 0.25 115.31 121.01 3f6s h LEU 72 Ca -0.01 -0.37 0.09 0.00 0.84 0.00 0.00 57.88 58.44 3f6s h LEU 72 Cb 1.54 -0.25 -0.08 0.00 0.37 0.00 0.00 40.66 42.25 3f6s h LEU 72 CO 0.11 1.06 0.58 0.28 -0.34 0.00 0.00 178.44 180.13 3f6s h SER 73 N 0.73 0.87 0.02 1.25 0.02 -1.64 -1.01 113.55 113.78 3f6s h SER 73 Ca 0.11 0.04 -0.24 0.00 -0.84 0.00 0.00 61.79 60.86 3f6s h SER 73 Cb 0.68 -0.14 0.02 0.00 0.14 0.00 0.00 62.40 63.10 3f6s h SER 73 CO 0.05 0.50 -0.93 0.25 -1.14 0.00 0.00 176.83 175.56 3f6s h LEU 74 N 0.97 0.79 -1.76 5.07 5.85 -1.54 -3.28 115.31 121.41 3f6s h LEU 74 Ca 0.44 -0.76 -0.03 0.00 0.84 0.00 0.00 57.88 58.37 3f6s h LEU 74 Cb 0.35 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.13 3f6s h LEU 74 CO -0.23 1.45 -0.14 0.15 -0.34 0.00 0.00 178.44 179.33 3f6s h PHE 75 N 0.22 0.00 0.00 1.25 3.57 -0.16 -0.54 116.94 121.27 3f6s h PHE 75 Ca -0.12 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.38 3f6s h PHE 75 Cb 1.61 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.35 3f6s h PHE 75 CO 0.12 0.14 0.00 0.39 -2.23 0.00 0.00 178.31 176.73 3f6s n GLU 76 N -4.26 0.34 -0.54 1.11 1.02 -0.42 -2.80 120.64 115.10 3f6s n GLU 76 Ca -0.03 0.06 0.06 0.00 -0.02 0.00 0.00 57.16 57.23 3f6s n GLU 76 Cb 0.21 -1.50 0.13 0.00 -0.02 0.00 0.00 31.44 30.26 3f6s n GLU 76 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3f6s n GLU 77 N -1.29 1.04 -0.13 3.49 1.02 -0.23 -4.81 120.64 119.73 3f6s n GLU 77 Ca 0.11 -2.56 0.17 0.00 -0.02 0.00 0.00 57.16 54.87 3f6s n GLU 77 Cb 0.20 -1.20 0.56 0.00 -0.02 0.00 0.00 31.44 30.98 3f6s n GLU 77 CO 0.00 0.00 0.00 0.74 1.18 0.00 0.00 177.13 179.05 3f6s h PHE 78 N 0.52 0.35 0.00 -0.32 -1.00 -1.33 -1.24 116.94 113.92 3f6s h PHE 78 Ca -0.03 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.76 3f6s h PHE 78 Cb 1.18 -0.11 0.00 0.00 3.61 0.00 0.00 35.95 40.63 3f6s h PHE 78 CO 0.33 0.13 0.00 -0.40 -1.61 0.00 0.00 178.31 176.76 3f6s n ASP 79 N -4.45 0.00 -0.40 2.17 5.75 -1.26 -2.31 116.55 116.05 3f6s n ASP 79 Ca 0.14 -0.17 0.11 0.00 -0.01 0.00 0.00 54.79 54.85 3f6s n ASP 79 Cb 0.58 -0.23 -0.03 0.00 -1.03 0.00 0.00 41.12 40.42 3f6s n ASP 79 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3f6s n ARG 80 N -1.23 1.02 0.07 0.11 1.74 -0.47 -4.56 116.66 113.34 3f6s n ARG 80 Ca 0.12 -0.80 -0.10 0.00 -0.77 0.00 0.00 57.85 56.30 3f6s n ARG 80 Cb 0.16 -1.47 -0.12 0.00 -1.02 0.00 0.00 32.46 30.00 3f6s n ARG 80 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 3f6s h ILE 81 N 1.95 1.65 -0.59 0.55 2.04 -1.47 0.17 117.51 121.81 3f6s h ILE 81 Ca 0.00 -3.31 0.00 0.00 1.00 0.00 0.00 64.86 62.55 3f6s h ILE 81 Cb 0.70 2.87 0.00 0.00 -0.74 0.00 0.00 36.82 39.65 3f6s h ILE 81 CO 0.00 0.95 0.00 0.61 0.00 0.00 0.00 178.15 179.71 3f6s n GLY 82 N 1.40 0.77 0.04 5.37 0.00 -1.26 -1.01 105.19 110.49 3f6s n GLY 82 Ca -0.03 -0.25 0.14 0.00 0.00 0.00 0.00 46.02 45.88 3f6s n GLY 82 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3f6s n LEU 83 N -0.30 0.26 -4.67 0.99 4.77 -1.26 -4.77 117.00 112.02 3f6s n LEU 83 Ca 0.00 0.21 -0.42 0.00 -0.03 0.00 0.00 56.01 55.76 3f6s n LEU 83 Cb 0.21 -0.31 -0.03 0.00 -2.33 0.00 0.00 43.42 40.96 3f6s n LEU 83 CO 0.00 0.05 1.47 0.00 -1.33 0.00 0.00 177.39 177.58 3f6s s ALA 84 N -2.75 3.62 0.00 -1.18 0.00 -1.20 -1.87 121.76 118.38 3f6s s ALA 84 Ca 0.21 1.17 0.00 0.00 0.00 0.00 0.00 51.96 53.34 3f6s s ALA 84 Cb 0.19 -3.78 0.00 0.00 0.00 0.00 0.00 23.12 19.53 3f6s s ALA 84 CO 0.53 -1.42 0.00 0.41 0.00 0.00 0.00 175.76 175.29 3f6s n GLY 85 N 4.29 0.52 3.56 0.00 0.00 -0.86 -4.89 105.19 107.80 3f6s n GLY 85 Ca 0.18 -0.30 -0.32 0.00 0.00 0.00 0.00 46.02 45.59 3f6s n GLY 85 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3f6s s ARG 86 N -0.62 2.41 0.25 1.61 0.52 -0.78 -4.90 118.95 117.43 3f6s s ARG 86 Ca 0.00 -0.81 -0.30 0.00 -0.52 0.00 0.00 55.73 54.11 3f6s s ARG 86 Cb 0.00 -2.41 -0.09 0.00 0.52 0.00 0.00 34.95 32.97 3f6s s ARG 86 CO 0.00 0.58 1.19 0.15 0.02 0.00 0.00 175.30 177.24 3f6s s LYS 87 N -1.48 4.51 0.03 3.54 1.02 -0.76 -1.45 119.74 125.14 3f6s s LYS 87 Ca 0.17 1.93 -0.04 0.00 0.02 0.00 0.00 55.97 58.05 3f6s s LYS 87 Cb -0.11 -3.19 -0.01 0.00 -0.52 0.00 0.00 37.83 34.00 3f6s s LYS 87 CO 0.08 -0.01 0.07 0.08 -0.92 0.00 0.00 175.35 174.64 3f6s s VAL 88 N -0.64 0.12 0.18 3.17 1.01 0.20 -0.67 120.40 123.77 3f6s s VAL 88 Ca 0.49 -0.99 -0.23 0.00 0.00 0.00 0.00 61.98 61.25 3f6s s VAL 88 Cb -0.34 -0.66 0.06 0.00 0.00 0.00 0.00 36.38 35.44 3f6s s VAL 88 CO 0.41 -0.55 0.74 0.00 0.00 0.00 0.00 175.10 175.71 3f6s s ALA 89 N -2.09 -1.51 -0.03 5.51 0.00 -0.92 -1.05 121.76 121.67 3f6s s ALA 89 Ca -0.10 0.24 0.02 0.00 0.00 0.00 0.00 51.96 52.12 3f6s s ALA 89 Cb -0.04 0.77 0.01 0.00 0.00 0.00 0.00 23.12 23.85 3f6s s ALA 89 CO -0.02 -0.89 -0.05 0.00 0.00 0.00 0.00 175.76 174.79 3f6s s ALA 90 N -3.64 0.61 0.33 0.00 0.00 -1.26 -1.08 121.76 116.72 3f6s s ALA 90 Ca 0.07 -0.15 0.05 0.00 0.00 0.00 0.00 51.96 51.92 3f6s s ALA 90 Cb -0.03 -0.29 -0.07 0.00 0.00 0.00 0.00 23.12 22.74 3f6s s ALA 90 CO -0.03 0.06 0.04 -0.59 0.00 0.00 0.00 175.76 175.24 3f6s s PHE 91 N 0.41 2.05 -0.10 0.00 -0.71 -0.58 0.11 117.98 119.16 3f6s s PHE 91 Ca -0.05 -0.88 -0.30 0.00 -1.04 0.00 0.00 56.93 54.66 3f6s s PHE 91 Cb -0.09 -1.34 0.12 0.00 -1.21 0.00 0.00 43.02 40.50 3f6s s PHE 91 CO -0.00 0.11 0.98 0.00 -1.34 0.00 0.00 175.22 174.97 3f6s s ALA 92 N -3.17 -1.90 -0.01 1.99 0.00 -0.24 -2.73 121.76 115.70 3f6s s ALA 92 Ca 0.35 1.35 0.03 0.00 0.00 0.00 0.00 51.96 53.69 3f6s s ALA 92 Cb 0.08 -0.17 -0.03 0.00 0.00 0.00 0.00 23.12 23.00 3f6s s ALA 92 CO 0.15 -0.50 -0.07 0.45 0.00 0.00 0.00 175.76 175.79 3f6s s SER 93 N -1.81 4.57 0.00 0.00 0.15 -1.25 -2.35 113.70 113.00 3f6s s SER 93 Ca 0.02 -0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.54 3f6s s SER 93 Cb -0.01 -1.07 0.00 0.00 -1.71 0.00 0.00 66.02 63.23 3f6s s SER 93 CO -0.04 0.30 0.00 0.61 1.20 0.00 0.00 173.24 175.31 3f6s n GLY 94 N 1.72 2.61 2.84 9.45 0.00 -0.14 -2.66 105.19 119.01 3f6s n GLY 94 Ca -0.16 -0.79 -0.16 0.00 0.00 0.00 0.00 46.02 44.91 3f6s n GLY 94 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3f6s s ASP 95 N 1.40 0.33 0.55 1.61 -1.08 -1.26 -4.16 116.67 114.06 3f6s s ASP 95 Ca 0.00 0.24 0.35 0.00 -0.52 0.00 0.00 52.55 52.62 3f6s s ASP 95 Cb 0.00 0.13 1.59 0.00 -1.46 0.00 0.00 42.92 43.18 3f6s s ASP 95 CO 0.00 -0.19 2.05 1.56 0.52 0.00 0.00 175.17 179.11 3f6s h GLN 96 N 7.74 0.00 -0.02 4.34 1.08 -1.97 -2.10 115.11 124.18 3f6s h GLN 96 Ca -0.31 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.89 3f6s h GLN 96 Cb 1.13 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.56 3f6s h GLN 96 CO 0.32 0.00 0.00 0.39 -0.95 0.00 0.00 178.83 178.59 3f6s n GLU 97 N -3.01 0.87 -4.46 1.46 1.02 -1.26 -4.69 120.64 110.57 3f6s n GLU 97 Ca -0.00 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.83 3f6s n GLU 97 Cb 0.24 -1.01 -0.11 0.00 -0.02 0.00 0.00 31.44 30.54 3f6s n GLU 97 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3f6s s TYR 98 N -1.98 2.69 0.23 -0.32 1.51 -0.79 -5.04 117.35 113.65 3f6s s TYR 98 Ca 0.00 -0.17 -0.07 0.00 -1.01 0.00 0.00 57.07 55.82 3f6s s TYR 98 Cb 0.00 -1.49 0.32 0.00 -0.11 0.00 0.00 41.96 40.69 3f6s s TYR 98 CO 0.00 0.34 1.80 1.49 -1.11 0.00 0.00 175.55 178.07 3f6s h GLU 99 N 4.22 0.69 -4.60 -0.62 4.81 -1.86 -3.35 114.58 113.86 3f6s h GLU 99 Ca -0.48 -0.04 -0.68 0.00 -0.13 0.00 0.00 59.36 58.03 3f6s h GLU 99 Cb 1.16 -0.15 -0.36 0.00 0.63 0.00 0.00 28.75 30.02 3f6s h GLU 99 CO 0.50 0.45 -0.63 -1.01 -0.73 0.00 0.00 179.01 177.60 3f6s s HIS 100 N -6.06 3.60 -0.30 0.92 3.76 -1.26 -5.07 115.29 110.88 3f6s s HIS 100 Ca -0.13 -2.56 -0.28 0.00 -0.15 0.00 0.00 55.06 51.95 3f6s s HIS 100 Cb 0.18 -2.96 0.01 0.00 1.11 0.00 0.00 32.58 30.92 3f6s s HIS 100 CO 0.77 -0.94 0.99 0.12 -0.85 0.00 0.00 174.74 174.83 3f6s s PHE 101 N 1.07 3.20 -1.37 1.40 5.36 -1.26 -4.00 117.98 122.38 3f6s s PHE 101 Ca 0.07 1.14 -0.08 0.00 -0.96 0.00 0.00 56.93 57.11 3f6s s PHE 101 Cb -0.21 -3.49 0.00 0.00 -0.34 0.00 0.00 43.02 38.98 3f6s s PHE 101 CO -0.05 -0.66 0.41 0.00 -1.46 0.00 0.00 175.22 173.45 3f6s h GLY 103 N -1.94 1.15 0.94 0.00 0.00 -1.94 -2.85 103.07 98.44 3f6s h GLY 103 Ca -0.65 -0.25 0.12 0.00 0.00 0.00 0.00 47.33 46.54 3f6s h GLY 103 CO 0.61 0.01 0.41 0.00 0.00 0.00 0.00 176.54 177.57 3f6s h ALA 104 N 1.61 2.17 0.42 3.60 0.00 -1.87 -3.10 119.26 122.09 3f6s h ALA 104 Ca 0.48 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.36 3f6s h ALA 104 Cb 0.98 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3f6s h ALA 104 CO -0.22 -0.63 -0.20 0.28 0.00 0.00 0.00 179.25 178.48 3f6s h VAL 105 N 0.00 0.56 -0.12 0.00 2.07 -1.82 -1.52 116.25 115.42 3f6s h VAL 105 Ca 0.20 -0.31 -0.03 0.00 0.82 0.00 0.00 66.70 67.37 3f6s h VAL 105 Cb 1.02 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 3f6s h VAL 105 CO -0.00 0.06 -0.06 1.55 0.02 0.00 0.00 177.57 179.13 3f6s h PRO 106 N -0.76 0.18 0.02 1.57 0.13 -1.77 -1.12 132.00 130.27 3f6s h PRO 106 Ca -0.06 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 65.04 3f6s h PRO 106 Cb 0.53 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.63 3f6s h PRO 106 CO 0.10 0.26 -0.01 0.00 -0.23 0.00 0.00 178.00 178.11 3f6s h ALA 107 N 1.76 -0.03 0.57 -0.56 0.00 -1.57 0.89 119.26 120.33 3f6s h ALA 107 Ca 0.04 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 3f6s h ALA 107 Cb 0.23 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3f6s h ALA 107 CO 0.01 -0.39 -0.41 0.82 0.00 0.00 0.00 179.25 179.28 3f6s h ILE 108 N -0.28 0.17 -0.84 0.00 2.04 -1.04 0.13 117.51 117.69 3f6s h ILE 108 Ca -0.00 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.01 3f6s h ILE 108 Cb 0.26 0.17 -0.10 0.00 -0.74 0.00 0.00 36.82 36.42 3f6s h ILE 108 CO 0.01 0.00 0.42 -0.33 0.00 0.00 0.00 178.15 178.24 3f6s h GLU 109 N -0.95 0.57 -0.06 2.37 5.08 -1.18 0.81 114.58 121.21 3f6s h GLU 109 Ca -0.07 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 3f6s h GLU 109 Cb 0.79 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.91 3f6s h GLU 109 CO 0.03 0.38 0.01 0.93 -1.00 0.00 0.00 179.01 179.36 3f6s h GLU 110 N 0.59 0.11 -0.31 2.33 5.08 -0.46 -1.78 114.58 120.13 3f6s h GLU 110 Ca 0.46 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.74 3f6s h GLU 110 Cb 0.67 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 3f6s h GLU 110 CO -0.38 0.33 0.00 -0.09 -1.00 0.00 0.00 179.01 177.88 3f6s h ARG 111 N -0.13 0.54 -0.94 2.33 9.65 -0.04 -1.41 114.38 124.37 3f6s h ARG 111 Ca 0.02 -0.17 0.05 0.00 -1.10 0.00 0.00 59.98 58.78 3f6s h ARG 111 Cb 0.28 -0.05 -0.06 0.00 -1.39 0.00 0.00 29.97 28.74 3f6s h ARG 111 CO 0.00 0.68 0.61 0.00 2.80 0.00 0.00 179.97 184.06 3f6s h ALA 112 N 0.84 1.28 0.27 2.80 0.00 -0.89 -2.09 119.26 121.47 3f6s h ALA 112 Ca 0.09 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3f6s h ALA 112 Cb 0.44 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3f6s h ALA 112 CO 0.02 0.42 -0.13 -0.22 0.00 0.00 0.00 179.25 179.34 3f6s h LYS 113 N 1.13 -0.35 -1.32 0.00 3.64 -0.97 -1.76 116.57 116.94 3f6s h LYS 113 Ca 0.40 0.02 0.38 0.00 -1.27 0.00 0.00 60.65 60.18 3f6s h LYS 113 Cb 0.10 0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 31.95 3f6s h LYS 113 CO -0.15 -0.16 0.95 0.93 -2.27 0.00 0.00 179.45 178.75 3f6s h GLU 114 N -0.46 0.00 -0.41 1.90 5.08 -0.95 -0.50 114.58 119.24 3f6s h GLU 114 Ca -0.04 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3f6s h GLU 114 Cb 0.35 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 3f6s h GLU 114 CO 0.06 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.35 3f6s n LEU 115 N -4.14 2.94 0.00 1.33 4.77 -0.80 -4.92 117.00 116.18 3f6s n LEU 115 Ca 0.29 -1.33 0.00 0.00 -0.03 0.00 0.00 56.01 54.93 3f6s n LEU 115 Cb 1.38 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 42.20 3f6s n LEU 115 CO 0.41 0.67 0.00 0.61 -1.33 0.00 0.00 177.39 177.75 3f6s n GLY 116 N 1.40 0.55 3.88 -0.72 0.00 -0.20 -3.23 105.19 106.88 3f6s n GLY 116 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 3f6s n GLY 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f6s s ALA 117 N -2.00 2.96 -0.23 4.61 0.00 -0.73 -2.04 121.76 124.33 3f6s s ALA 117 Ca 0.00 -0.28 -0.05 0.00 0.00 0.00 0.00 51.96 51.64 3f6s s ALA 117 Cb 0.00 -3.04 -0.01 0.00 0.00 0.00 0.00 23.12 20.07 3f6s s ALA 117 CO 0.00 -1.01 -0.02 0.99 0.00 0.00 0.00 175.76 175.72 3f6s s THR 118 N -3.31 3.59 -0.38 0.00 2.01 -0.53 -4.46 115.64 112.56 3f6s s THR 118 Ca 0.57 -0.42 -0.29 0.00 0.31 0.00 0.00 61.69 61.86 3f6s s THR 118 Cb -0.11 -2.64 0.01 0.00 0.01 0.00 0.00 72.50 69.77 3f6s s THR 118 CO 0.52 0.40 1.31 -0.63 -0.69 0.00 0.00 174.62 175.54 3f6s s ILE 119 N 1.50 4.06 -2.01 1.82 -1.09 -1.26 -0.63 121.20 123.60 3f6s s ILE 119 Ca 0.06 1.14 0.23 0.00 -2.23 0.00 0.00 60.65 59.85 3f6s s ILE 119 Cb -0.14 -4.27 0.06 0.00 -1.58 0.00 0.00 42.46 36.53 3f6s s ILE 119 CO -0.02 -0.69 1.20 2.30 -1.23 0.00 0.00 174.94 176.50 3f6s n ILE 120 N 6.68 0.00 -3.74 2.92 -5.35 -0.22 -4.92 119.36 114.73 3f6s n ILE 120 Ca 0.15 -0.24 -0.13 0.00 -0.27 0.00 0.00 62.75 62.26 3f6s n ILE 120 Cb 0.48 1.07 -0.08 0.00 -1.74 0.00 0.00 39.64 39.37 3f6s n ILE 120 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3f6s s ALA 121 N -2.46 -0.79 -0.13 -1.28 0.00 -1.26 -4.60 121.76 111.23 3f6s s ALA 121 Ca 0.20 0.20 -0.29 0.00 0.00 0.00 0.00 51.96 52.07 3f6s s ALA 121 Cb 0.18 0.22 -0.01 0.00 0.00 0.00 0.00 23.12 23.52 3f6s s ALA 121 CO 0.55 -0.36 1.06 -2.00 0.00 0.00 0.00 175.76 175.01 3f6s s GLU 122 N -2.05 4.36 -0.01 0.00 2.12 -1.26 -4.71 118.70 117.16 3f6s s GLU 122 Ca -0.08 1.44 -0.39 0.00 0.36 0.00 0.00 54.97 56.30 3f6s s GLU 122 Cb -0.02 -3.58 -0.18 0.00 0.26 0.00 0.00 34.13 30.60 3f6s s GLU 122 CO 0.00 -0.44 1.24 0.41 -0.54 0.00 0.00 175.26 175.94 3f6s n GLY 123 N 3.22 0.11 3.66 -1.50 0.00 -1.26 -4.88 105.19 104.54 3f6s n GLY 123 Ca 0.10 0.76 -0.43 0.00 0.00 0.00 0.00 46.02 46.45 3f6s n GLY 123 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3f6s s LEU 124 N 0.53 4.14 -0.13 0.99 2.96 0.12 -4.96 118.68 122.33 3f6s s LEU 124 Ca 0.89 1.52 0.03 0.00 -0.22 0.00 0.00 54.13 56.35 3f6s s LEU 124 Cb -1.14 -3.54 0.01 0.00 0.50 0.00 0.00 46.19 42.01 3f6s s LEU 124 CO 0.55 -0.69 -0.22 -0.54 -1.32 0.00 0.00 176.35 174.12 3f6s s LYS 125 N 3.23 2.97 0.22 1.98 1.02 -1.26 -1.07 119.74 126.82 3f6s s LYS 125 Ca 0.49 -0.84 -0.22 0.00 0.02 0.00 0.00 55.97 55.42 3f6s s LYS 125 Cb -0.18 -2.37 0.04 0.00 -0.52 0.00 0.00 37.83 34.80 3f6s s LYS 125 CO 0.10 0.02 0.72 0.00 -0.92 0.00 0.00 175.35 175.27 3f6s s MET 126 N 0.73 1.55 0.23 1.68 0.23 -0.99 -5.00 119.30 117.73 3f6s s MET 126 Ca -0.09 -0.79 0.05 0.00 -1.03 0.00 0.00 55.69 53.83 3f6s s MET 126 Cb -0.16 0.58 -0.03 0.00 -1.53 0.00 0.00 34.83 33.68 3f6s s MET 126 CO 0.00 -0.70 0.28 -1.21 -2.03 0.00 0.00 175.02 171.36 3f6s s GLU 127 N -3.78 3.23 2.26 3.16 2.02 -1.26 -0.97 118.70 123.36 3f6s s GLU 127 Ca 0.08 -0.85 0.00 0.00 0.02 0.00 0.00 54.97 54.23 3f6s s GLU 127 Cb -0.04 -2.77 0.00 0.00 0.10 0.00 0.00 34.13 31.42 3f6s s GLU 127 CO 0.00 0.44 0.00 0.41 0.02 0.00 0.00 175.26 176.13 3f6s n GLY 128 N -1.15 -0.48 3.19 -1.39 0.00 -1.26 -4.65 105.19 99.45 3f6s n GLY 128 Ca -0.08 -1.06 -0.17 0.00 0.00 0.00 0.00 46.02 44.70 3f6s n GLY 128 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3f6s n ASP 129 N -1.77 1.39 -0.27 1.61 3.85 -1.26 -4.73 116.55 115.37 3f6s n ASP 129 Ca 0.00 -2.08 0.07 0.00 -0.71 0.00 0.00 54.79 52.07 3f6s n ASP 129 Cb 0.00 -0.45 0.21 0.00 -1.35 0.00 0.00 41.12 39.53 3f6s n ASP 129 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3f6s h ALA 130 N -0.23 1.11 0.00 2.12 0.00 -1.78 0.17 119.26 120.65 3f6s h ALA 130 Ca -0.25 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3f6s h ALA 130 Cb 1.01 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3f6s h ALA 130 CO 0.30 -0.27 0.00 -1.13 0.00 0.00 0.00 179.25 178.15 3f6s n SER 131 N -5.05 0.00 0.13 0.00 3.41 -1.26 -2.97 113.62 107.87 3f6s n SER 131 Ca 0.16 -0.11 -0.00 0.00 -0.26 0.00 0.00 58.87 58.66 3f6s n SER 131 Cb 0.48 -0.26 0.06 0.00 -0.26 0.00 0.00 64.21 64.22 3f6s n SER 131 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 3f6s h ASN 132 N 0.00 0.00 -0.86 4.04 -1.24 -0.97 -3.39 115.58 113.16 3f6s h ASN 132 Ca 0.00 0.00 -0.36 0.00 0.71 0.00 0.00 56.30 56.65 3f6s h ASN 132 Cb 0.21 0.00 -0.25 0.00 0.73 0.00 0.00 38.32 39.01 3f6s h ASN 132 CO 0.00 0.64 -0.76 -0.67 -1.29 0.00 0.00 177.43 175.35 3f6s n ASP 133 N -3.37 -1.42 0.17 1.15 -0.08 -1.17 -5.00 116.55 106.83 3f6s n ASP 133 Ca 0.01 -3.15 0.05 0.00 -1.51 0.00 0.00 54.79 50.19 3f6s n ASP 133 Cb 0.74 0.80 0.51 0.00 2.34 0.00 0.00 41.12 45.51 3f6s n ASP 133 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3f6s h PRO 134 N 3.72 0.16 -0.41 -0.67 0.13 -1.75 -2.20 132.00 130.98 3f6s h PRO 134 Ca -0.04 -0.02 -0.15 0.00 -0.87 0.00 0.00 66.00 64.91 3f6s h PRO 134 Cb 0.99 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.08 3f6s h PRO 134 CO 0.36 0.19 -0.35 0.93 -0.23 0.00 0.00 178.00 178.90 3f6s h GLU 135 N 0.16 0.96 -0.41 0.86 5.08 -1.94 -1.47 114.58 117.82 3f6s h GLU 135 Ca 0.04 -0.48 -0.09 0.00 -1.00 0.00 0.00 59.36 57.83 3f6s h GLU 135 Cb 0.14 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 3f6s h GLU 135 CO 0.00 1.14 -0.09 0.00 -1.00 0.00 0.00 179.01 179.07 3f6s h ALA 136 N 0.80 0.56 -0.11 3.43 0.00 -1.83 -0.15 119.26 121.96 3f6s h ALA 136 Ca 0.07 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3f6s h ALA 136 Cb 0.94 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 3f6s h ALA 136 CO 0.09 0.42 0.07 0.28 0.00 0.00 0.00 179.25 180.10 3f6s h VAL 137 N 0.59 1.05 -0.81 0.00 2.07 -1.43 -2.67 116.25 115.04 3f6s h VAL 137 Ca 0.10 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 3f6s h VAL 137 Cb 0.61 0.93 -0.04 0.00 -1.52 0.00 0.00 31.29 31.27 3f6s h VAL 137 CO 0.04 0.04 0.45 0.00 0.02 0.00 0.00 177.57 178.12 3f6s h ALA 138 N 1.01 1.04 0.34 1.67 0.00 -1.10 -1.49 119.26 120.73 3f6s h ALA 138 Ca 0.04 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3f6s h ALA 138 Cb 0.01 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 3f6s h ALA 138 CO -0.01 0.55 -0.42 1.03 0.00 0.00 0.00 179.25 180.41 3f6s h SER 139 N 1.13 -1.16 -0.97 0.00 0.87 -0.99 -1.35 113.55 111.08 3f6s h SER 139 Ca 0.29 0.11 0.20 0.00 -1.23 0.00 0.00 61.79 61.15 3f6s h SER 139 Cb 0.03 0.40 -0.11 0.00 -0.44 0.00 0.00 62.40 62.28 3f6s h SER 139 CO -0.05 -0.55 0.56 0.15 -0.53 0.00 0.00 176.83 176.41 3f6s h PHE 140 N -0.80 0.97 -0.28 2.24 3.57 -1.07 -0.40 116.94 121.17 3f6s h PHE 140 Ca -0.02 0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.46 3f6s h PHE 140 Cb 0.73 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.18 3f6s h PHE 140 CO -0.26 0.15 -0.02 0.00 -2.23 0.00 0.00 178.31 175.95 3f6s h ALA 141 N 1.66 0.38 -0.74 2.41 0.00 -1.04 -2.15 119.26 119.79 3f6s h ALA 141 Ca 0.58 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 3f6s h ALA 141 Cb 0.96 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 3f6s h ALA 141 CO -0.42 0.14 0.45 1.49 0.00 0.00 0.00 179.25 180.91 3f6s h GLU 142 N 0.28 0.99 -0.62 0.00 4.81 0.02 0.29 114.58 120.36 3f6s h GLU 142 Ca 0.08 -0.08 -0.09 0.00 -0.13 0.00 0.00 59.36 59.14 3f6s h GLU 142 Cb 0.47 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 3f6s h GLU 142 CO 0.02 0.69 0.05 -0.44 -0.73 0.00 0.00 179.01 178.60 3f6s h ASP 143 N 1.01 1.03 0.11 1.04 3.32 -1.01 -1.36 116.42 120.56 3f6s h ASP 143 Ca 0.27 -0.28 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 3f6s h ASP 143 Cb -0.05 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.22 3f6s h ASP 143 CO -0.05 1.06 -0.05 0.58 -1.72 0.00 0.00 179.24 179.05 3f6s h VAL 144 N 0.97 1.06 -0.11 -1.35 2.07 -0.86 -3.19 116.25 114.84 3f6s h VAL 144 Ca 0.18 -0.65 0.03 0.00 0.82 0.00 0.00 66.70 67.09 3f6s h VAL 144 Cb 0.49 1.47 -0.00 0.00 -1.52 0.00 0.00 31.29 31.73 3f6s h VAL 144 CO 0.02 0.16 0.11 -0.07 0.02 0.00 0.00 177.57 177.81 3f6s h LEU 145 N -0.44 0.00 -0.31 2.57 3.38 -0.22 0.27 115.31 120.56 3f6s h LEU 145 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3f6s h LEU 145 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3f6s h LEU 145 CO 0.02 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.84 3f6s n LYS 146 N -3.95 0.15 -0.01 1.13 4.76 -0.53 -2.82 118.16 116.89 3f6s n LYS 146 Ca -0.00 0.29 0.06 0.00 -2.87 0.00 0.00 58.31 55.78 3f6s n LYS 146 Cb 0.22 -1.74 0.05 0.00 -1.84 0.00 0.00 35.03 31.72 3f6s n LYS 146 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 3f6s n GLN 147 N -2.02 0.66 0.00 1.97 1.13 0.91 -5.11 117.38 114.92 3f6s n GLN 147 Ca 0.04 -1.21 0.09 0.00 -1.94 0.00 0.00 57.00 53.98 3f6s n GLN 147 Cb 0.28 -1.22 0.08 0.00 0.11 0.00 0.00 30.24 29.49 3f6s n GLN 147 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90