#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f6r s LYS 3 N 0.00 3.75 -0.14 1.43 1.02 -1.26 0.24 119.74 124.79 3f6r s LYS 3 Ca 0.00 -0.46 0.00 0.00 0.02 0.00 0.00 55.97 55.53 3f6r s LYS 3 Cb 0.00 -3.07 0.02 0.00 -0.52 0.00 0.00 37.83 34.27 3f6r s LYS 3 CO 0.00 0.18 -0.12 0.08 -0.92 0.00 0.00 175.35 174.57 3f6r s VAL 4 N 0.57 1.38 -0.09 3.17 1.01 0.97 -1.24 120.40 126.18 3f6r s VAL 4 Ca -0.00 -0.51 -0.14 0.00 0.00 0.00 0.00 61.98 61.32 3f6r s VAL 4 Cb -0.14 -1.32 -0.05 0.00 0.00 0.00 0.00 36.38 34.87 3f6r s VAL 4 CO 0.02 0.43 0.34 -0.22 0.00 0.00 0.00 175.10 175.67 3f6r s LEU 5 N 1.55 4.35 -0.19 3.92 2.96 -0.74 -0.52 118.68 130.00 3f6r s LEU 5 Ca 0.05 0.71 0.00 0.00 -0.22 0.00 0.00 54.13 54.67 3f6r s LEU 5 Cb -0.13 -2.46 0.04 0.00 0.50 0.00 0.00 46.19 44.15 3f6r s LEU 5 CO -0.10 0.20 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.43 3f6r s ILE 6 N -0.23 1.38 -0.09 6.68 1.01 0.08 -0.56 121.20 129.48 3f6r s ILE 6 Ca 0.20 -0.85 0.04 0.00 0.00 0.00 0.00 60.65 60.04 3f6r s ILE 6 Cb -0.14 -1.52 0.00 0.00 0.01 0.00 0.00 42.46 40.80 3f6r s ILE 6 CO 0.08 0.12 -0.21 -0.69 0.00 0.00 0.00 174.94 174.24 3f6r s VAL 7 N 1.51 1.83 0.10 2.92 1.01 -0.49 -1.11 120.40 126.16 3f6r s VAL 7 Ca -0.01 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 61.11 3f6r s VAL 7 Cb -0.16 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.60 3f6r s VAL 7 CO -0.08 0.51 -0.10 0.72 0.00 0.00 0.00 175.10 176.16 3f6r s PHE 8 N 0.35 1.03 -0.09 5.22 -0.12 -0.95 -0.42 117.98 122.99 3f6r s PHE 8 Ca -0.16 -0.68 0.03 0.00 -0.05 0.00 0.00 56.93 56.07 3f6r s PHE 8 Cb -0.17 -0.56 -0.01 0.00 -0.63 0.00 0.00 43.02 41.64 3f6r s PHE 8 CO 0.07 -0.02 -0.18 0.20 -0.05 0.00 0.00 175.22 175.24 3f6r s GLY 9 N -2.48 1.44 -0.14 1.99 0.00 0.48 -1.11 107.32 107.50 3f6r s GLY 9 Ca 0.06 -0.96 -0.06 0.00 0.00 0.00 0.00 44.72 43.75 3f6r s GLY 9 CO -0.00 -0.45 0.31 -0.45 0.00 0.00 0.00 173.10 172.51 3f6r s SER 10 N -0.00 -0.22 -0.16 1.64 0.15 -1.26 -3.56 113.70 110.30 3f6r s SER 10 Ca -0.06 0.69 -0.12 0.00 0.70 0.00 0.00 55.95 57.16 3f6r s SER 10 Cb -0.15 0.66 -0.23 0.00 -1.71 0.00 0.00 66.02 64.59 3f6r s SER 10 CO 0.05 -0.19 0.29 -1.20 1.20 0.00 0.00 173.24 173.38 3f6r n SER 11 N 4.57 2.03 -0.00 5.45 7.64 -1.26 -4.53 113.62 127.51 3f6r n SER 11 Ca -0.19 0.28 0.08 0.00 1.01 0.00 0.00 58.87 60.05 3f6r n SER 11 Cb 0.53 -0.90 -0.12 0.00 -1.01 0.00 0.00 64.21 62.71 3f6r n SER 11 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3f6r n THR 12 N -3.83 0.00 0.00 0.44 -2.24 -1.26 -5.01 114.28 102.38 3f6r n THR 12 Ca -0.33 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.18 3f6r n THR 12 Cb 0.92 0.49 0.00 0.00 -2.10 0.00 0.00 70.33 69.63 3f6r n THR 12 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3f6r n GLY 13 N 1.47 1.01 0.12 3.38 0.00 -1.26 -5.02 105.19 104.89 3f6r n GLY 13 Ca -0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 3f6r n GLY 13 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3f6r h ASN 14 N 0.00 0.32 0.31 1.61 2.35 -1.94 -1.18 115.58 117.05 3f6r h ASN 14 Ca 0.00 -0.43 -0.06 0.00 -0.55 0.00 0.00 56.30 55.26 3f6r h ASN 14 Cb 0.00 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 3f6r h ASN 14 CO 0.00 0.68 -0.30 0.74 -1.65 0.00 0.00 177.43 176.90 3f6r h THR 15 N -0.04 1.21 -0.19 2.81 2.02 -1.86 -2.47 112.91 114.40 3f6r h THR 15 Ca 0.03 -1.04 -0.15 0.00 0.77 0.00 0.00 66.41 66.02 3f6r h THR 15 Cb 0.56 1.56 -0.01 0.00 -1.74 0.00 0.00 68.15 68.53 3f6r h THR 15 CO 0.02 0.30 -0.52 -0.08 0.37 0.00 0.00 175.52 175.61 3f6r h GLU 16 N 0.00 0.52 -0.62 6.66 4.81 -1.81 -1.53 114.58 122.60 3f6r h GLU 16 Ca -0.00 -0.31 -0.03 0.00 -0.13 0.00 0.00 59.36 58.88 3f6r h GLU 16 Cb 0.54 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.92 3f6r h GLU 16 CO 0.04 0.91 0.26 1.03 -0.73 0.00 0.00 179.01 180.52 3f6r h SER 17 N 0.41 0.85 -0.34 1.04 0.87 -0.88 -1.87 113.55 113.64 3f6r h SER 17 Ca 0.01 -0.16 -0.04 0.00 -1.23 0.00 0.00 61.79 60.38 3f6r h SER 17 Cb 1.04 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.77 3f6r h SER 17 CO 0.10 0.78 0.07 0.40 -0.53 0.00 0.00 176.83 177.65 3f6r h ILE 18 N 0.87 1.23 -0.72 2.23 2.04 -1.28 -2.51 117.51 119.37 3f6r h ILE 18 Ca 0.21 -0.78 0.04 0.00 1.00 0.00 0.00 64.86 65.34 3f6r h ILE 18 Cb 0.19 1.09 -0.05 0.00 -0.74 0.00 0.00 36.82 37.31 3f6r h ILE 18 CO -0.02 0.26 0.43 0.00 0.00 0.00 0.00 178.15 178.83 3f6r h ALA 19 N 0.91 0.95 -0.39 1.87 0.00 -1.07 0.12 119.26 121.65 3f6r h ALA 19 Ca 0.10 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 3f6r h ALA 19 Cb 0.32 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3f6r h ALA 19 CO 0.00 0.18 -0.22 1.96 0.00 0.00 0.00 179.25 181.17 3f6r h GLN 20 N 0.82 0.77 -0.16 0.00 4.20 -1.31 -0.37 115.11 119.06 3f6r h GLN 20 Ca 0.30 -0.31 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 3f6r h GLN 20 Cb 0.09 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 3f6r h GLN 20 CO -0.14 0.92 0.04 -0.22 -0.67 0.00 0.00 178.83 178.76 3f6r h LYS 21 N 0.67 0.25 -0.17 1.46 1.63 -1.01 -2.34 116.57 117.05 3f6r h LYS 21 Ca 0.09 -0.06 0.04 0.00 -0.85 0.00 0.00 60.65 59.88 3f6r h LYS 21 Cb 0.72 -0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 32.28 3f6r h LYS 21 CO 0.06 0.38 -0.08 -0.07 -3.45 0.00 0.00 179.45 176.29 3f6r h LEU 22 N 0.07 -0.27 -0.85 5.20 3.38 -0.76 -0.47 115.31 121.61 3f6r h LEU 22 Ca 0.05 0.07 0.14 0.00 0.09 0.00 0.00 57.88 58.23 3f6r h LEU 22 Cb 0.24 0.15 -0.09 0.00 0.09 0.00 0.00 40.66 41.05 3f6r h LEU 22 CO -0.00 -0.11 0.45 -0.08 0.09 0.00 0.00 178.44 178.79 3f6r h GLU 23 N -0.06 0.64 -0.34 1.13 4.81 -1.03 -1.13 114.58 118.59 3f6r h GLU 23 Ca 0.09 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.21 3f6r h GLU 23 Cb 0.20 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 3f6r h GLU 23 CO -0.21 0.42 -0.10 1.49 -0.73 0.00 0.00 179.01 179.88 3f6r h GLU 24 N 0.65 0.67 -0.60 1.92 4.81 -0.64 -0.62 114.58 120.77 3f6r h GLU 24 Ca 0.46 -0.27 -0.10 0.00 -0.13 0.00 0.00 59.36 59.33 3f6r h GLU 24 Cb 0.63 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.95 3f6r h GLU 24 CO -0.35 0.85 -0.00 -0.07 -0.73 0.00 0.00 179.01 178.71 3f6r h LEU 25 N 0.46 1.05 0.18 1.64 3.38 -0.71 -1.59 115.31 119.72 3f6r h LEU 25 Ca 0.09 -0.31 -0.28 0.00 0.09 0.00 0.00 57.88 57.46 3f6r h LEU 25 Cb 0.61 -0.28 0.03 0.00 0.09 0.00 0.00 40.66 41.11 3f6r h LEU 25 CO 0.04 1.10 -1.22 0.40 0.09 0.00 0.00 178.44 178.84 3f6r h ILE 26 N 0.96 1.34 -0.96 1.22 2.04 -1.21 -2.77 117.51 118.13 3f6r h ILE 26 Ca 0.17 -2.56 0.13 0.00 1.00 0.00 0.00 64.86 63.60 3f6r h ILE 26 Cb 0.56 2.95 -0.08 0.00 -0.74 0.00 0.00 36.82 39.51 3f6r h ILE 26 CO 0.03 0.76 0.61 0.00 0.00 0.00 0.00 178.15 179.55 3f6r h ALA 27 N 0.19 1.62 0.00 1.87 0.00 -1.15 0.11 119.26 121.90 3f6r h ALA 27 Ca -0.20 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3f6r h ALA 27 Cb 1.94 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.54 3f6r h ALA 27 CO 0.23 0.14 0.00 0.00 0.00 0.00 0.00 179.25 179.62 3f6r h ALA 28 N 1.56 1.00 -0.27 0.00 0.00 -1.11 -2.20 119.26 118.25 3f6r h ALA 28 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.39 3f6r h ALA 28 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3f6r h ALA 28 CO -0.24 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.42 3f6r n GLY 29 N -0.19 0.26 1.13 0.00 0.00 0.02 -4.87 105.19 101.54 3f6r n GLY 29 Ca 0.01 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.73 3f6r n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f6r n GLY 30 N 0.94 0.70 3.83 -0.02 0.00 -0.83 -4.99 105.19 104.83 3f6r n GLY 30 Ca 0.09 -0.13 -0.28 0.00 0.00 0.00 0.00 46.02 45.70 3f6r n GLY 30 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3f6r s HIS 31 N -2.00 3.28 -0.40 1.61 4.02 -1.16 -4.27 115.29 116.36 3f6r s HIS 31 Ca 0.00 0.08 -0.19 0.00 1.02 0.00 0.00 55.06 55.97 3f6r s HIS 31 Cb 0.00 -1.61 0.01 0.00 -1.02 0.00 0.00 32.58 29.96 3f6r s HIS 31 CO 0.00 0.53 0.53 -2.00 1.02 0.00 0.00 174.74 174.83 3f6r s GLU 32 N -2.79 3.33 -0.11 1.40 2.12 0.14 -4.12 118.70 118.67 3f6r s GLU 32 Ca 0.32 -0.43 -0.03 0.00 0.36 0.00 0.00 54.97 55.19 3f6r s GLU 32 Cb -0.11 -3.91 -0.03 0.00 0.26 0.00 0.00 34.13 30.33 3f6r s GLU 32 CO 0.25 -0.84 0.01 0.08 -0.54 0.00 0.00 175.26 174.22 3f6r s VAL 33 N 2.46 4.39 -0.20 3.70 1.01 -1.26 -0.02 120.40 130.48 3f6r s VAL 33 Ca 0.18 -0.21 0.01 0.00 0.00 0.00 0.00 61.98 61.96 3f6r s VAL 33 Cb -0.15 -2.88 0.03 0.00 0.00 0.00 0.00 36.38 33.38 3f6r s VAL 33 CO 0.15 0.57 -0.17 -0.89 0.00 0.00 0.00 175.10 174.77 3f6r s THR 34 N -0.58 2.21 -0.21 3.92 2.01 0.32 -4.96 115.64 118.35 3f6r s THR 34 Ca 0.10 -1.04 -0.08 0.00 0.31 0.00 0.00 61.69 60.99 3f6r s THR 34 Cb -0.12 -2.01 -0.04 0.00 0.01 0.00 0.00 72.50 70.35 3f6r s THR 34 CO 0.02 0.42 0.07 -0.22 -0.69 0.00 0.00 174.62 174.22 3f6r s LEU 35 N 1.27 3.74 -0.02 4.42 2.96 -1.26 -0.74 118.68 129.04 3f6r s LEU 35 Ca 0.02 0.00 0.01 0.00 -0.22 0.00 0.00 54.13 53.94 3f6r s LEU 35 Cb -0.14 -1.97 0.02 0.00 0.50 0.00 0.00 46.19 44.59 3f6r s LEU 35 CO -0.11 0.10 -0.03 -0.76 -1.32 0.00 0.00 176.35 174.24 3f6r s LEU 36 N 0.80 1.49 -0.06 -0.68 1.43 -0.27 -5.00 118.68 116.40 3f6r s LEU 36 Ca 0.04 -0.07 -0.30 0.00 -1.03 0.00 0.00 54.13 52.77 3f6r s LEU 36 Cb -0.13 -0.29 -0.03 0.00 0.03 0.00 0.00 46.19 45.76 3f6r s LEU 36 CO 0.02 -0.03 1.15 0.21 0.23 0.00 0.00 176.35 177.92 3f6r s ASN 37 N 0.62 7.11 0.53 2.29 3.84 -1.26 -2.24 114.94 125.82 3f6r s ASN 37 Ca -0.07 1.76 0.29 0.00 0.21 0.00 0.00 52.86 55.04 3f6r s ASN 37 Cb -0.10 -2.56 1.43 0.00 -0.55 0.00 0.00 41.25 39.47 3f6r s ASN 37 CO -0.01 -0.53 1.93 0.00 -2.79 0.00 0.00 177.10 175.70 3f6r h ALA 38 N 7.30 2.69 0.00 1.71 0.00 -1.46 0.14 119.26 129.64 3f6r h ALA 38 Ca -0.34 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 3f6r h ALA 38 Cb 1.16 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 3f6r h ALA 38 CO 0.86 -0.91 -0.11 0.00 0.00 0.00 0.00 179.25 179.09 3f6r h ALA 39 N 1.62 1.39 0.00 0.00 0.00 -1.80 -2.46 119.26 118.00 3f6r h ALA 39 Ca 0.37 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3f6r h ALA 39 Cb 1.43 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.20 3f6r h ALA 39 CO -0.01 0.14 -1.14 -0.25 0.00 0.00 0.00 179.25 177.98 3f6r n ASP 40 N -3.78 0.62 -4.79 0.00 8.00 0.46 -5.01 116.55 112.05 3f6r n ASP 40 Ca -0.02 -0.39 -0.39 0.00 0.71 0.00 0.00 54.79 54.70 3f6r n ASP 40 Cb 0.21 1.01 -0.06 0.00 -0.02 0.00 0.00 41.12 42.26 3f6r n ASP 40 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3f6r s ALA 41 N -3.18 3.51 -0.35 2.24 0.00 -0.93 -5.05 121.76 118.00 3f6r s ALA 41 Ca 0.03 0.21 -0.12 0.00 0.00 0.00 0.00 51.96 52.09 3f6r s ALA 41 Cb 0.15 -2.81 0.00 0.00 0.00 0.00 0.00 23.12 20.46 3f6r s ALA 41 CO 0.83 0.34 0.21 -1.54 0.00 0.00 0.00 175.76 175.60 3f6r s SER 42 N -1.11 5.83 0.44 0.00 1.04 -1.26 -5.00 113.70 113.64 3f6r s SER 42 Ca 0.33 -0.67 0.11 0.00 0.48 0.00 0.00 55.95 56.19 3f6r s SER 42 Cb -0.21 -2.07 0.98 0.00 0.10 0.00 0.00 66.02 64.82 3f6r s SER 42 CO 0.23 -0.29 2.06 0.00 0.98 0.00 0.00 173.24 176.22 3f6r h ALA 43 N 8.46 1.84 -0.40 5.32 0.00 -1.93 -3.39 119.26 129.17 3f6r h ALA 43 Ca -0.29 -0.02 -0.41 0.00 0.00 0.00 0.00 54.91 54.19 3f6r h ALA 43 Cb 1.13 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.75 3f6r h ALA 43 CO 0.65 0.12 1.61 -1.91 0.00 0.00 0.00 179.25 179.71 3f6r n GLU 44 N -4.48 0.29 -1.38 0.00 4.07 -1.26 -0.69 120.64 117.19 3f6r n GLU 44 Ca 0.03 -0.09 -0.10 0.00 -0.06 0.00 0.00 57.16 56.94 3f6r n GLU 44 Cb 0.14 -2.07 -0.04 0.00 -0.06 0.00 0.00 31.44 29.41 3f6r n GLU 44 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 3f6r n ASN 45 N 11.54 -4.10 -0.35 4.31 5.15 0.41 -4.91 115.26 127.31 3f6r n ASN 45 Ca 0.58 0.22 0.10 0.00 -0.60 0.00 0.00 54.58 54.87 3f6r n ASN 45 Cb 0.21 -2.56 0.28 0.00 -0.53 0.00 0.00 39.78 37.19 3f6r n ASN 45 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 3f6r h LEU 46 N 0.00 0.86 -0.62 1.20 5.85 -0.52 -1.81 115.31 120.27 3f6r h LEU 46 Ca -0.20 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.58 3f6r h LEU 46 Cb 0.70 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.62 3f6r h LEU 46 CO 0.29 0.41 0.00 0.00 -0.34 0.00 0.00 178.44 178.80 3f6r h ALA 47 N 1.58 1.00 -2.16 1.25 0.00 -1.34 -3.47 119.26 116.12 3f6r h ALA 47 Ca 0.52 0.00 -0.60 0.00 0.00 0.00 0.00 54.91 54.83 3f6r h ALA 47 Cb 0.65 0.00 0.05 0.00 0.00 0.00 0.00 17.79 18.48 3f6r h ALA 47 CO -0.30 0.00 0.86 -3.47 0.00 0.00 0.00 179.25 176.35 3f6r n ASP 48 N -2.86 3.09 0.00 0.00 2.03 -0.68 -0.88 116.55 117.26 3f6r n ASP 48 Ca 0.03 1.05 0.00 0.00 0.52 0.00 0.00 54.79 56.39 3f6r n ASP 48 Cb 0.39 -1.39 0.00 0.00 -0.72 0.00 0.00 41.12 39.40 3f6r n ASP 48 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3f6r n GLY 49 N 3.65 0.74 3.72 0.27 0.00 -1.26 -5.05 105.19 107.26 3f6r n GLY 49 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 3f6r n GLY 49 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3f6r s TYR 50 N -2.25 3.42 0.09 1.61 1.51 -0.06 -4.73 117.35 116.95 3f6r s TYR 50 Ca 0.00 0.42 -0.12 0.00 -1.01 0.00 0.00 57.07 56.36 3f6r s TYR 50 Cb 0.00 -2.24 -0.18 0.00 -0.11 0.00 0.00 41.96 39.43 3f6r s TYR 50 CO 0.00 0.25 1.26 -0.44 -1.11 0.00 0.00 175.55 175.51 3f6r h ASP 51 N 6.76 0.91 -4.38 2.29 3.32 -1.48 -3.46 116.42 120.38 3f6r h ASP 51 Ca -0.41 -0.65 -0.38 0.00 0.02 0.00 0.00 57.03 55.61 3f6r h ASP 51 Cb 1.16 -0.27 -0.20 0.00 0.22 0.00 0.00 39.33 40.24 3f6r h ASP 51 CO 0.75 1.45 -0.76 0.00 -1.72 0.00 0.00 179.24 178.97 3f6r s ALA 52 N -3.55 1.18 -0.10 3.45 0.00 -1.14 -3.16 121.76 118.44 3f6r s ALA 52 Ca -0.10 -1.10 0.01 0.00 0.00 0.00 0.00 51.96 50.78 3f6r s ALA 52 Cb 0.08 -0.05 0.02 0.00 0.00 0.00 0.00 23.12 23.17 3f6r s ALA 52 CO 0.91 0.08 -0.11 0.08 0.00 0.00 0.00 175.76 176.72 3f6r s VAL 53 N -1.79 1.15 -0.17 0.00 1.01 -0.33 -1.80 120.40 118.47 3f6r s VAL 53 Ca 0.02 -0.42 -0.07 0.00 0.00 0.00 0.00 61.98 61.51 3f6r s VAL 53 Cb -0.07 -1.10 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 3f6r s VAL 53 CO 0.02 0.38 0.07 -0.76 0.00 0.00 0.00 175.10 174.80 3f6r s LEU 54 N 1.22 3.86 -0.13 3.92 1.43 0.27 -2.01 118.68 127.25 3f6r s LEU 54 Ca -0.04 0.12 -0.01 0.00 -1.03 0.00 0.00 54.13 53.18 3f6r s LEU 54 Cb -0.14 -1.97 -0.02 0.00 0.03 0.00 0.00 46.19 44.09 3f6r s LEU 54 CO -0.03 0.21 -0.09 -0.36 0.23 0.00 0.00 176.35 176.31 3f6r s PHE 55 N 0.16 2.90 -0.09 0.29 0.40 0.05 -1.40 117.98 120.29 3f6r s PHE 55 Ca 0.05 -0.43 0.03 0.00 -0.60 0.00 0.00 56.93 55.97 3f6r s PHE 55 Cb -0.12 -1.87 -0.02 0.00 0.51 0.00 0.00 43.02 41.52 3f6r s PHE 55 CO 0.00 -0.08 -0.17 0.20 0.70 0.00 0.00 175.22 175.87 3f6r s GLY 56 N 0.22 1.47 -0.29 4.36 0.00 0.43 -0.27 107.32 113.24 3f6r s GLY 56 Ca -0.06 -0.96 -0.14 0.00 0.00 0.00 0.00 44.72 43.57 3f6r s GLY 56 CO 0.04 -0.47 0.84 0.00 0.00 0.00 0.00 173.10 173.51 3f6r s SER 58 N 2.21 6.55 -0.03 0.00 1.04 -1.23 -4.56 113.70 117.68 3f6r s SER 58 Ca -0.06 1.28 -0.01 0.00 0.48 0.00 0.00 55.95 57.64 3f6r s SER 58 Cb -0.07 -2.39 -0.04 0.00 0.10 0.00 0.00 66.02 63.63 3f6r s SER 58 CO -0.18 -0.47 0.06 0.00 0.98 0.00 0.00 173.24 173.63 3f6r s ALA 59 N -2.47 3.49 0.00 5.32 0.00 -1.26 -1.44 121.76 125.41 3f6r s ALA 59 Ca 0.54 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.65 3f6r s ALA 59 Cb -0.10 -1.55 0.00 0.00 0.00 0.00 0.00 23.12 21.46 3f6r s ALA 59 CO 0.32 0.65 0.00 0.91 0.00 0.00 0.00 175.76 177.64 3f6r n TRP 60 N 1.51 0.00 -0.01 0.00 7.02 0.10 -4.92 117.44 121.14 3f6r n TRP 60 Ca -0.15 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.33 3f6r n TRP 60 Cb 0.53 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.42 3f6r n TRP 60 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3f6r n GLY 61 N 1.32 -2.53 0.21 6.99 0.00 -1.25 -2.91 105.19 107.01 3f6r n GLY 61 Ca 0.00 -1.03 -0.17 0.00 0.00 0.00 0.00 46.02 44.82 3f6r n GLY 61 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 3f6r h MET 62 N 0.00 0.71 0.00 1.61 4.05 -1.99 -3.44 114.93 115.88 3f6r h MET 62 Ca 0.00 -0.64 0.00 0.00 -0.28 0.00 0.00 59.70 58.78 3f6r h MET 62 Cb 0.00 0.15 0.00 0.00 -0.80 0.00 0.00 31.60 30.95 3f6r h MET 62 CO 0.00 1.24 0.00 0.39 0.23 0.00 0.00 176.91 178.77 3f6r n GLU 63 N -3.89 0.00 -1.52 0.39 1.02 -1.26 -5.07 120.64 110.31 3f6r n GLU 63 Ca -0.08 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 56.87 3f6r n GLU 63 Cb 0.79 0.00 0.12 0.00 -0.02 0.00 0.00 31.44 32.33 3f6r n GLU 63 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3f6r n ASP 64 N -0.69 0.37 -4.69 1.62 3.85 -1.26 -5.03 116.55 110.72 3f6r n ASP 64 Ca 0.00 -1.49 -0.42 0.00 -0.71 0.00 0.00 54.79 52.18 3f6r n ASP 64 Cb 0.00 -0.60 -0.03 0.00 -1.35 0.00 0.00 41.12 39.13 3f6r n ASP 64 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.20 175.97 3f6r s LEU 65 N 0.00 4.24 -0.13 -2.12 1.98 -1.26 -4.31 118.68 117.09 3f6r s LEU 65 Ca 0.49 1.37 0.01 0.00 -2.89 0.00 0.00 54.13 53.11 3f6r s LEU 65 Cb -0.02 -3.37 0.02 0.00 0.66 0.00 0.00 46.19 43.48 3f6r s LEU 65 CO 0.34 -0.36 -0.16 -1.61 -1.89 0.00 0.00 176.35 172.66 3f6r s GLU 66 N 1.79 2.38 0.66 1.98 2.02 -1.14 -4.93 118.70 121.46 3f6r s GLU 66 Ca 0.43 -0.61 -0.16 0.00 0.02 0.00 0.00 54.97 54.65 3f6r s GLU 66 Cb -0.18 -2.05 -0.00 0.00 0.10 0.00 0.00 34.13 32.01 3f6r s GLU 66 CO 0.17 -0.10 1.17 -1.64 0.02 0.00 0.00 175.26 174.87 3f6r s MET 67 N 1.10 2.67 0.17 1.61 -1.94 -1.26 0.01 119.30 121.66 3f6r s MET 67 Ca -0.03 1.63 -0.33 0.00 -1.71 0.00 0.00 55.69 55.25 3f6r s MET 67 Cb -0.14 -1.91 -0.15 0.00 2.01 0.00 0.00 34.83 34.63 3f6r s MET 67 CO -0.04 -1.40 1.30 0.94 -0.01 0.00 0.00 175.02 175.81 3f6r n GLN 68 N -2.23 1.50 -0.17 2.03 0.00 -0.52 -4.70 117.38 113.28 3f6r n GLN 68 Ca 0.12 0.54 -0.05 0.00 -0.00 0.00 0.00 57.00 57.61 3f6r n GLN 68 Cb 0.51 -2.13 0.13 0.00 0.00 0.00 0.00 30.24 28.74 3f6r n GLN 68 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.06 177.28 3f6r h ASP 69 N 4.07 0.89 0.10 1.69 1.82 -1.91 0.07 116.42 123.15 3f6r h ASP 69 Ca -0.45 -0.19 0.01 0.00 -0.39 0.00 0.00 57.03 56.01 3f6r h ASP 69 Cb 1.31 -0.23 -0.02 0.00 0.68 0.00 0.00 39.33 41.07 3f6r h ASP 69 CO 0.75 0.89 -0.13 0.44 -1.61 0.00 0.00 179.24 179.58 3f6r h ASP 70 N 0.89 -0.36 -0.33 2.28 3.32 -1.97 -2.18 116.42 118.08 3f6r h ASP 70 Ca 0.18 0.04 0.02 0.00 0.02 0.00 0.00 57.03 57.29 3f6r h ASP 70 Cb 0.38 0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.04 3f6r h ASP 70 CO 0.01 -0.20 0.18 0.15 -1.72 0.00 0.00 179.24 177.66 3f6r h PHE 71 N -0.28 0.34 -0.74 4.55 3.57 -1.74 -2.86 116.94 119.79 3f6r h PHE 71 Ca 0.01 0.01 0.15 0.00 3.53 0.00 0.00 57.97 61.67 3f6r h PHE 71 Cb 0.28 -0.10 -0.10 0.00 2.79 0.00 0.00 35.95 38.82 3f6r h PHE 71 CO -0.14 0.19 0.26 1.25 -2.23 0.00 0.00 178.31 177.64 3f6r h LEU 72 N 0.37 0.19 -2.30 0.59 5.85 -0.80 0.35 115.31 119.56 3f6r h LEU 72 Ca 0.13 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.97 3f6r h LEU 72 Cb 0.02 0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.17 3f6r h LEU 72 CO -0.07 0.05 0.01 0.28 -0.34 0.00 0.00 178.44 178.37 3f6r h SER 73 N 0.38 0.00 0.59 1.25 0.02 -1.16 0.11 113.55 114.74 3f6r h SER 73 Ca 0.41 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 61.08 3f6r h SER 73 Cb 0.65 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.15 3f6r h SER 73 CO -0.43 0.00 -1.51 0.25 -1.14 0.00 0.00 176.83 174.00 3f6r h LEU 74 N 0.00 0.11 -1.16 5.07 5.85 -0.59 -3.35 115.31 121.23 3f6r h LEU 74 Ca 0.01 -0.18 -0.03 0.00 0.84 0.00 0.00 57.88 58.51 3f6r h LEU 74 Cb 0.03 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 3f6r h LEU 74 CO -0.00 1.15 0.19 0.15 -0.34 0.00 0.00 178.44 179.59 3f6r h PHE 75 N 0.02 0.78 0.00 1.25 3.57 0.21 -0.28 116.94 122.49 3f6r h PHE 75 Ca -0.21 -0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.24 3f6r h PHE 75 Cb 1.95 -0.24 -0.00 0.00 2.79 0.00 0.00 35.95 40.45 3f6r h PHE 75 CO 0.02 0.62 -0.01 1.49 -2.23 0.00 0.00 178.31 178.20 3f6r h GLU 76 N 0.76 0.00 -0.25 1.11 4.81 -1.41 -2.58 114.58 117.03 3f6r h GLU 76 Ca 0.18 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 3f6r h GLU 76 Cb 0.19 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.57 3f6r h GLU 76 CO -0.01 0.01 0.00 0.39 -0.73 0.00 0.00 179.01 178.67 3f6r n GLU 77 N -3.20 2.85 0.10 1.92 -0.58 -0.13 -4.59 120.64 117.01 3f6r n GLU 77 Ca -0.02 -2.83 0.16 0.00 -0.42 0.00 0.00 57.16 54.05 3f6r n GLU 77 Cb 0.14 -1.83 0.69 0.00 -0.57 0.00 0.00 31.44 29.86 3f6r n GLU 77 CO 0.00 0.00 0.00 0.74 -0.48 0.00 0.00 177.13 177.39 3f6r h PHE 78 N 1.73 0.00 -0.21 -0.32 -1.00 -1.30 -1.88 116.94 113.97 3f6r h PHE 78 Ca 0.00 0.00 0.04 0.00 2.81 0.00 0.00 57.97 60.82 3f6r h PHE 78 Cb 1.42 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.97 3f6r h PHE 78 CO 0.47 0.00 0.14 -0.44 -1.61 0.00 0.00 178.31 176.88 3f6r h ASP 79 N 0.00 0.10 0.02 2.17 3.32 -1.84 -2.61 116.42 117.58 3f6r h ASP 79 Ca 0.16 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 3f6r h ASP 79 Cb 0.64 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.16 3f6r h ASP 79 CO -0.00 0.07 -0.39 0.54 -1.72 0.00 0.00 179.24 177.73 3f6r n ARG 80 N -4.49 1.26 -0.07 3.56 1.74 -0.71 -4.48 116.66 113.47 3f6r n ARG 80 Ca 0.01 -1.00 -0.13 0.00 -0.77 0.00 0.00 57.85 55.96 3f6r n ARG 80 Cb 0.21 -1.48 -0.01 0.00 -1.02 0.00 0.00 32.46 30.16 3f6r n ARG 80 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 3f6r h ILE 81 N 2.45 1.28 -0.17 0.55 2.04 -1.46 0.12 117.51 122.32 3f6r h ILE 81 Ca 0.00 -1.69 0.00 0.00 1.00 0.00 0.00 64.86 64.17 3f6r h ILE 81 Cb 0.73 1.59 0.00 0.00 -0.74 0.00 0.00 36.82 38.40 3f6r h ILE 81 CO 0.00 0.55 0.00 0.61 0.00 0.00 0.00 178.15 179.31 3f6r n GLY 82 N 0.27 0.95 0.10 5.37 0.00 -1.26 -1.01 105.19 109.62 3f6r n GLY 82 Ca -0.03 -0.11 0.12 0.00 0.00 0.00 0.00 46.02 46.00 3f6r n GLY 82 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3f6r n LEU 83 N -0.09 0.65 -4.68 0.99 4.77 -1.26 -4.68 117.00 112.70 3f6r n LEU 83 Ca 0.00 0.60 -0.45 0.00 -0.03 0.00 0.00 56.01 56.12 3f6r n LEU 83 Cb 0.08 -0.43 -0.04 0.00 -2.33 0.00 0.00 43.42 40.70 3f6r n LEU 83 CO 0.00 -0.30 1.21 0.00 -1.33 0.00 0.00 177.39 176.97 3f6r n ALA 84 N -1.74 1.58 -0.16 -1.18 0.00 -1.17 -1.45 120.51 116.40 3f6r n ALA 84 Ca 0.04 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.92 3f6r n ALA 84 Cb 0.34 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.42 3f6r n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3f6r n GLY 85 N 3.40 2.51 3.91 0.00 0.00 0.54 -4.93 105.19 110.62 3f6r n GLY 85 Ca 0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 3f6r n GLY 85 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3f6r s ARG 86 N -0.01 3.62 0.13 1.61 0.52 -0.53 -4.79 118.95 119.51 3f6r s ARG 86 Ca 0.00 0.05 -0.19 0.00 -0.52 0.00 0.00 55.73 55.06 3f6r s ARG 86 Cb 0.00 -2.58 -0.07 0.00 0.52 0.00 0.00 34.95 32.82 3f6r s ARG 86 CO 0.00 0.12 0.63 0.15 0.02 0.00 0.00 175.30 176.22 3f6r s LYS 87 N -3.84 4.23 0.01 3.54 1.02 -1.19 -0.13 119.74 123.38 3f6r s LYS 87 Ca 0.45 0.78 -0.04 0.00 0.02 0.00 0.00 55.97 57.18 3f6r s LYS 87 Cb -0.10 -3.11 -0.01 0.00 -0.52 0.00 0.00 37.83 34.09 3f6r s LYS 87 CO 0.33 0.55 0.06 0.08 -0.92 0.00 0.00 175.35 175.44 3f6r s VAL 88 N -1.27 0.09 0.03 3.17 1.01 0.25 -1.18 120.40 122.50 3f6r s VAL 88 Ca 0.35 -0.77 -0.07 0.00 0.00 0.00 0.00 61.98 61.49 3f6r s VAL 88 Cb -0.19 -0.34 -0.00 0.00 0.00 0.00 0.00 36.38 35.85 3f6r s VAL 88 CO 0.21 -0.42 0.13 0.00 0.00 0.00 0.00 175.10 175.02 3f6r s ALA 89 N -1.37 -0.20 0.11 5.51 0.00 -0.85 -0.13 121.76 124.82 3f6r s ALA 89 Ca -0.15 -0.39 0.10 0.00 0.00 0.00 0.00 51.96 51.52 3f6r s ALA 89 Cb -0.08 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.23 3f6r s ALA 89 CO 0.00 -0.31 -0.25 0.00 0.00 0.00 0.00 175.76 175.20 3f6r s ALA 90 N -2.35 2.21 0.18 0.00 0.00 -1.26 -0.77 121.76 119.78 3f6r s ALA 90 Ca -0.07 -1.37 -0.01 0.00 0.00 0.00 0.00 51.96 50.51 3f6r s ALA 90 Cb -0.02 -0.37 -0.04 0.00 0.00 0.00 0.00 23.12 22.69 3f6r s ALA 90 CO -0.03 0.50 0.11 -0.59 0.00 0.00 0.00 175.76 175.75 3f6r s PHE 91 N -1.02 1.10 -0.21 0.00 -0.71 0.63 -1.42 117.98 116.34 3f6r s PHE 91 Ca 0.12 -1.34 -0.30 0.00 -1.04 0.00 0.00 56.93 54.37 3f6r s PHE 91 Cb -0.10 -0.55 0.15 0.00 -1.21 0.00 0.00 43.02 41.31 3f6r s PHE 91 CO 0.05 -0.60 1.14 0.00 -1.34 0.00 0.00 175.22 174.47 3f6r s ALA 92 N -4.12 -2.01 0.12 1.99 0.00 -0.80 -1.94 121.76 114.99 3f6r s ALA 92 Ca 0.35 1.71 -0.08 0.00 0.00 0.00 0.00 51.96 53.95 3f6r s ALA 92 Cb 0.07 -1.05 -0.06 0.00 0.00 0.00 0.00 23.12 22.08 3f6r s ALA 92 CO 0.10 -0.28 0.40 0.45 0.00 0.00 0.00 175.76 176.43 3f6r s SER 93 N -1.04 6.58 0.11 0.00 0.15 -1.26 -2.52 113.70 115.72 3f6r s SER 93 Ca 0.02 0.72 -0.04 0.00 0.70 0.00 0.00 55.95 57.36 3f6r s SER 93 Cb -0.01 -2.15 0.02 0.00 -1.71 0.00 0.00 66.02 62.17 3f6r s SER 93 CO -0.02 0.10 0.22 0.61 1.20 0.00 0.00 173.24 175.35 3f6r n GLY 94 N 0.49 1.71 2.77 9.45 0.00 0.15 -4.38 105.19 115.38 3f6r n GLY 94 Ca -0.05 -1.08 -0.29 0.00 0.00 0.00 0.00 46.02 44.61 3f6r n GLY 94 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3f6r s ASP 95 N -1.57 3.30 0.45 1.61 2.15 -1.26 -4.11 116.67 117.25 3f6r s ASP 95 Ca 0.04 -1.05 0.25 0.00 0.43 0.00 0.00 52.55 52.22 3f6r s ASP 95 Cb -0.01 -0.75 1.26 0.00 -0.30 0.00 0.00 42.92 43.12 3f6r s ASP 95 CO 0.03 -0.32 1.80 1.56 -0.17 0.00 0.00 175.17 178.08 3f6r h GLN 96 N 8.16 0.24 0.00 4.34 1.08 -1.98 0.15 115.11 127.10 3f6r h GLN 96 Ca -0.16 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.03 3f6r h GLN 96 Cb 1.09 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 28.47 3f6r h GLN 96 CO 0.38 0.16 0.00 0.39 -0.95 0.00 0.00 178.83 178.81 3f6r n GLU 97 N -4.46 0.30 -4.01 1.46 1.02 -1.26 -4.65 120.64 109.04 3f6r n GLU 97 Ca 0.24 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 57.15 3f6r n GLU 97 Cb 0.97 -1.39 -0.03 0.00 -0.02 0.00 0.00 31.44 30.96 3f6r n GLU 97 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3f6r s TYR 98 N -2.00 3.35 0.02 -0.32 1.51 0.53 -5.05 117.35 115.40 3f6r s TYR 98 Ca 0.12 0.00 -0.23 0.00 -1.01 0.00 0.00 57.07 55.95 3f6r s TYR 98 Cb 0.05 -1.56 -0.16 0.00 -0.11 0.00 0.00 41.96 40.18 3f6r s TYR 98 CO 0.09 0.49 1.33 1.49 -1.11 0.00 0.00 175.55 177.84 3f6r h GLU 99 N 1.68 0.21 -3.68 -0.62 4.81 -1.86 -3.37 114.58 111.75 3f6r h GLU 99 Ca -0.50 -0.10 -0.79 0.00 -0.13 0.00 0.00 59.36 57.84 3f6r h GLU 99 Cb 1.22 0.00 -0.27 0.00 0.63 0.00 0.00 28.75 30.32 3f6r h GLU 99 CO 0.63 0.61 0.26 -1.01 -0.73 0.00 0.00 179.01 178.77 3f6r s HIS 100 N -4.37 4.02 -0.09 0.92 3.76 -1.26 -5.03 115.29 113.23 3f6r s HIS 100 Ca -0.15 -2.39 -0.29 0.00 -0.15 0.00 0.00 55.06 52.08 3f6r s HIS 100 Cb 0.04 -3.80 -0.06 0.00 1.11 0.00 0.00 32.58 29.87 3f6r s HIS 100 CO 0.72 -0.96 1.86 0.12 -0.85 0.00 0.00 174.74 175.63 3f6r s PHE 101 N -0.60 1.61 -1.27 1.40 5.36 -1.26 -2.51 117.98 120.71 3f6r s PHE 101 Ca 0.25 0.11 -0.18 0.00 -0.96 0.00 0.00 56.93 56.15 3f6r s PHE 101 Cb -0.10 -4.05 0.01 0.00 -0.34 0.00 0.00 43.02 38.54 3f6r s PHE 101 CO -0.08 -4.28 0.59 0.00 -1.46 0.00 0.00 175.22 169.98 3f6r h GLY 103 N -2.09 0.00 2.00 0.00 0.00 -1.86 -2.48 103.07 98.63 3f6r h GLY 103 Ca -0.67 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 46.60 3f6r h GLY 103 CO 0.55 0.00 -0.30 0.00 0.00 0.00 0.00 176.54 176.79 3f6r h ALA 104 N 2.17 1.14 0.10 3.60 0.00 -1.88 -3.19 119.26 121.21 3f6r h ALA 104 Ca 0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 3f6r h ALA 104 Cb 0.33 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3f6r h ALA 104 CO 0.00 0.37 -0.05 0.28 0.00 0.00 0.00 179.25 179.85 3f6r h VAL 105 N 0.00 1.08 -0.35 0.00 2.07 -1.71 -0.27 116.25 117.07 3f6r h VAL 105 Ca -0.00 -0.78 -0.02 0.00 0.82 0.00 0.00 66.70 66.72 3f6r h VAL 105 Cb 0.71 1.57 -0.02 0.00 -1.52 0.00 0.00 31.29 32.03 3f6r h VAL 105 CO 0.04 0.19 0.12 1.55 0.02 0.00 0.00 177.57 179.49 3f6r h PRO 106 N -0.50 0.49 -0.23 1.57 0.13 -1.74 -2.36 132.00 129.36 3f6r h PRO 106 Ca -0.01 -0.06 -0.04 0.00 -0.87 0.00 0.00 66.00 65.01 3f6r h PRO 106 Cb 0.41 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.44 3f6r h PRO 106 CO 0.02 0.43 -0.01 0.00 -0.23 0.00 0.00 178.00 178.21 3f6r h ALA 107 N 1.65 0.32 -0.73 -0.56 0.00 -1.49 -2.29 119.26 116.15 3f6r h ALA 107 Ca 0.12 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3f6r h ALA 107 Cb 0.13 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 3f6r h ALA 107 CO -0.01 0.05 0.47 0.82 0.00 0.00 0.00 179.25 180.58 3f6r h ILE 108 N 0.19 1.19 -0.33 0.00 2.04 -0.98 -1.71 117.51 117.92 3f6r h ILE 108 Ca 0.07 -0.37 -0.01 0.00 1.00 0.00 0.00 64.86 65.54 3f6r h ILE 108 Cb 0.42 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.62 3f6r h ILE 108 CO 0.01 0.19 0.17 -0.33 0.00 0.00 0.00 178.15 178.20 3f6r h GLU 109 N 0.99 0.45 0.17 2.37 5.08 -1.26 -1.00 114.58 121.38 3f6r h GLU 109 Ca 0.27 -0.04 -0.31 0.00 -1.00 0.00 0.00 59.36 58.28 3f6r h GLU 109 Cb -0.09 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 29.08 3f6r h GLU 109 CO -0.06 0.34 -1.42 0.93 -1.00 0.00 0.00 179.01 177.80 3f6r h GLU 110 N 0.45 0.36 -0.61 2.33 5.08 -0.85 -2.39 114.58 118.95 3f6r h GLU 110 Ca 0.12 -0.62 -0.06 0.00 -1.00 0.00 0.00 59.36 57.80 3f6r h GLU 110 Cb 0.02 0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 3f6r h GLU 110 CO -0.02 1.28 0.14 -0.09 -1.00 0.00 0.00 179.01 179.32 3f6r h ARG 111 N 0.10 0.99 -0.72 2.33 9.65 -1.14 -2.36 114.38 123.22 3f6r h ARG 111 Ca -0.21 -0.24 -0.03 0.00 -1.10 0.00 0.00 59.98 58.40 3f6r h ARG 111 Cb 2.06 -0.13 -0.03 0.00 -1.39 0.00 0.00 29.97 30.47 3f6r h ARG 111 CO 0.22 0.90 0.33 0.00 2.80 0.00 0.00 179.97 184.22 3f6r h ALA 112 N 1.04 0.93 -0.39 2.80 0.00 -1.18 -1.81 119.26 120.66 3f6r h ALA 112 Ca 0.19 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 3f6r h ALA 112 Cb 0.36 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3f6r h ALA 112 CO 0.00 0.51 -0.18 0.87 0.00 0.00 0.00 179.25 180.45 3f6r h LYS 113 N 1.02 0.81 0.00 0.00 1.57 -1.42 0.24 116.57 118.78 3f6r h LYS 113 Ca 0.25 -0.35 -0.00 0.00 -1.87 0.00 0.00 60.65 58.67 3f6r h LYS 113 Cb 0.14 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.43 3f6r h LYS 113 CO -0.03 0.98 -0.02 0.93 -0.57 0.00 0.00 179.45 180.74 3f6r h GLU 114 N 0.62 0.00 -0.41 3.15 5.08 -1.17 -0.78 114.58 121.06 3f6r h GLU 114 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3f6r h GLU 114 Cb 0.74 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.99 3f6r h GLU 114 CO 0.06 0.02 0.00 1.28 -1.00 0.00 0.00 179.01 179.37 3f6r n LEU 115 N -3.85 3.10 0.00 1.33 4.77 -0.70 -4.93 117.00 116.72 3f6r n LEU 115 Ca -0.03 -1.39 0.00 0.00 -0.03 0.00 0.00 56.01 54.56 3f6r n LEU 115 Cb 0.11 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 3f6r n LEU 115 CO 0.28 0.70 0.00 0.61 -1.33 0.00 0.00 177.39 177.65 3f6r n GLY 116 N 1.44 0.89 3.93 -0.72 0.00 -0.30 -3.03 105.19 107.40 3f6r n GLY 116 Ca 0.19 -0.16 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 3f6r n GLY 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f6r s ALA 117 N -2.00 3.45 -0.20 4.61 0.00 0.80 -0.33 121.76 128.09 3f6r s ALA 117 Ca 0.00 -0.79 -0.02 0.00 0.00 0.00 0.00 51.96 51.15 3f6r s ALA 117 Cb 0.00 -2.46 0.00 0.00 0.00 0.00 0.00 23.12 20.67 3f6r s ALA 117 CO 0.00 -0.62 -0.11 0.99 0.00 0.00 0.00 175.76 176.02 3f6r s THR 118 N -2.83 2.82 -0.36 0.00 2.01 0.82 -4.43 115.64 113.66 3f6r s THR 118 Ca 0.51 -0.69 -0.28 0.00 0.31 0.00 0.00 61.69 61.55 3f6r s THR 118 Cb -0.10 -2.25 -0.02 0.00 0.01 0.00 0.00 72.50 70.14 3f6r s THR 118 CO 0.43 0.47 1.76 -0.63 -0.69 0.00 0.00 174.62 175.96 3f6r s ILE 119 N 1.40 3.51 0.06 1.82 -1.09 -1.26 -0.58 121.20 125.06 3f6r s ILE 119 Ca 0.05 0.50 -0.20 0.00 -2.23 0.00 0.00 60.65 58.78 3f6r s ILE 119 Cb -0.14 -3.73 -0.11 0.00 -1.58 0.00 0.00 42.46 36.90 3f6r s ILE 119 CO -0.07 -0.50 1.48 0.40 -1.23 0.00 0.00 174.94 175.02 3f6r h ILE 120 N 6.78 1.27 -3.70 2.92 2.04 -0.88 -3.47 117.51 122.46 3f6r h ILE 120 Ca -0.32 -0.92 -0.11 0.00 1.00 0.00 0.00 64.86 64.52 3f6r h ILE 120 Cb 1.16 1.51 -0.16 0.00 -0.74 0.00 0.00 36.82 38.59 3f6r h ILE 120 CO 1.06 0.28 -0.42 0.00 0.00 0.00 0.00 178.15 179.06 3f6r s ALA 121 N -4.89 -0.24 0.36 1.87 0.00 -1.26 -4.85 121.76 112.74 3f6r s ALA 121 Ca -0.14 -0.46 -0.28 0.00 0.00 0.00 0.00 51.96 51.08 3f6r s ALA 121 Cb 0.06 0.34 -0.10 0.00 0.00 0.00 0.00 23.12 23.42 3f6r s ALA 121 CO 0.73 -0.40 1.32 -1.21 0.00 0.00 0.00 175.76 176.20 3f6r s GLU 122 N -3.02 4.23 0.13 0.00 2.02 -1.26 -4.58 118.70 116.21 3f6r s GLU 122 Ca -0.02 2.24 -0.35 0.00 0.02 0.00 0.00 54.97 56.86 3f6r s GLU 122 Cb 0.01 -2.97 -0.16 0.00 0.10 0.00 0.00 34.13 31.11 3f6r s GLU 122 CO -0.06 -0.31 1.40 0.41 0.02 0.00 0.00 175.26 176.72 3f6r n GLY 123 N 0.72 0.64 3.68 -1.39 0.00 -1.26 -4.86 105.19 102.72 3f6r n GLY 123 Ca 0.01 0.66 -0.43 0.00 0.00 0.00 0.00 46.02 46.26 3f6r n GLY 123 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3f6r s LEU 124 N 0.61 4.22 -0.17 0.99 2.96 -0.51 -4.98 118.68 121.81 3f6r s LEU 124 Ca 0.81 1.70 0.01 0.00 -0.22 0.00 0.00 54.13 56.42 3f6r s LEU 124 Cb -0.84 -3.55 0.03 0.00 0.50 0.00 0.00 46.19 42.33 3f6r s LEU 124 CO 0.45 -0.64 -0.14 -0.54 -1.32 0.00 0.00 176.35 174.16 3f6r s LYS 125 N 2.73 2.29 0.32 1.98 1.02 -1.26 -1.91 119.74 124.90 3f6r s LYS 125 Ca 0.53 -0.68 -0.04 0.00 0.02 0.00 0.00 55.97 55.80 3f6r s LYS 125 Cb -0.22 -2.25 -0.00 0.00 -0.52 0.00 0.00 37.83 34.83 3f6r s LYS 125 CO 0.17 -0.29 0.45 0.00 -0.92 0.00 0.00 175.35 174.76 3f6r s MET 126 N 1.44 1.79 0.09 1.68 0.23 -1.05 -5.03 119.30 118.44 3f6r s MET 126 Ca 0.03 -1.66 0.06 0.00 -1.03 0.00 0.00 55.69 53.09 3f6r s MET 126 Cb -0.14 0.43 -0.04 0.00 -1.53 0.00 0.00 34.83 33.56 3f6r s MET 126 CO -0.10 -0.73 -0.08 -1.21 -2.03 0.00 0.00 175.02 170.87 3f6r s GLU 127 N -3.31 2.26 1.51 3.16 2.02 -1.26 0.33 118.70 123.41 3f6r s GLU 127 Ca 0.30 -0.95 0.00 0.00 0.02 0.00 0.00 54.97 54.34 3f6r s GLU 127 Cb 0.00 -2.37 0.00 0.00 0.10 0.00 0.00 34.13 31.86 3f6r s GLU 127 CO 0.18 0.53 0.00 0.41 0.02 0.00 0.00 175.26 176.39 3f6r n GLY 128 N 0.80 -1.50 0.22 -1.39 0.00 -1.26 -4.69 105.19 97.37 3f6r n GLY 128 Ca -0.13 -1.21 -0.02 0.00 0.00 0.00 0.00 46.02 44.66 3f6r n GLY 128 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3f6r n ASP 129 N -1.01 -0.20 -0.14 1.61 3.85 -1.26 -4.77 116.55 114.62 3f6r n ASP 129 Ca 0.00 -0.93 -0.11 0.00 -0.71 0.00 0.00 54.79 53.04 3f6r n ASP 129 Cb 0.00 -0.06 -0.01 0.00 -1.35 0.00 0.00 41.12 39.70 3f6r n ASP 129 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3f6r h ALA 130 N -2.00 0.57 0.00 2.12 0.00 -1.81 -2.66 119.26 115.49 3f6r h ALA 130 Ca -0.03 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3f6r h ALA 130 Cb 0.07 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3f6r h ALA 130 CO 0.02 0.42 0.00 0.43 0.00 0.00 0.00 179.25 180.12 3f6r n SER 131 N -4.34 0.21 0.10 0.00 7.64 -1.26 -2.01 113.62 113.95 3f6r n SER 131 Ca -0.01 0.59 0.12 0.00 1.01 0.00 0.00 58.87 60.58 3f6r n SER 131 Cb 0.35 -0.62 0.21 0.00 -1.01 0.00 0.00 64.21 63.14 3f6r n SER 131 CO 0.00 0.00 0.00 -1.13 -3.01 0.00 0.00 175.04 170.90 3f6r h ASN 132 N 0.00 0.00 0.00 6.43 -0.73 -1.78 -3.40 115.58 116.10 3f6r h ASN 132 Ca 0.00 -0.10 -0.24 0.00 1.87 0.00 0.00 56.30 57.83 3f6r h ASN 132 Cb 0.06 0.00 -0.15 0.00 0.27 0.00 0.00 38.32 38.50 3f6r h ASN 132 CO 0.00 0.05 -0.44 -0.67 -0.37 0.00 0.00 177.43 176.00 3f6r n ASP 133 N -2.36 -2.40 -0.05 1.15 -0.08 -0.85 -5.02 116.55 106.95 3f6r n ASP 133 Ca 0.03 -3.63 0.15 0.00 -1.51 0.00 0.00 54.79 49.83 3f6r n ASP 133 Cb 0.46 1.92 0.56 0.00 2.34 0.00 0.00 41.12 46.40 3f6r n ASP 133 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3f6r h PRO 134 N 3.10 0.26 -0.03 -0.67 0.13 -1.75 -1.86 132.00 131.18 3f6r h PRO 134 Ca -0.11 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 65.00 3f6r h PRO 134 Cb 1.09 -0.06 -0.00 0.00 0.13 0.00 0.00 31.00 32.16 3f6r h PRO 134 CO 0.15 0.17 -0.01 0.93 -0.23 0.00 0.00 178.00 179.01 3f6r h GLU 135 N 0.27 0.06 -0.62 0.86 4.39 -1.96 0.45 114.58 118.03 3f6r h GLU 135 Ca 0.27 -0.02 0.06 0.00 0.34 0.00 0.00 59.36 60.01 3f6r h GLU 135 Cb 0.69 -0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.30 3f6r h GLU 135 CO -0.06 0.42 0.41 0.00 -1.16 0.00 0.00 179.01 178.62 3f6r h ALA 136 N 0.64 1.80 0.15 3.43 0.00 -1.76 0.82 119.26 124.34 3f6r h ALA 136 Ca 0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3f6r h ALA 136 Cb 0.40 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3f6r h ALA 136 CO 0.00 0.10 -0.07 0.28 0.00 0.00 0.00 179.25 179.56 3f6r h VAL 137 N 0.61 0.98 -0.07 0.00 2.07 -1.39 -2.92 116.25 115.53 3f6r h VAL 137 Ca 0.27 -0.97 -0.03 0.00 0.82 0.00 0.00 66.70 66.78 3f6r h VAL 137 Cb 0.27 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 3f6r h VAL 137 CO -0.08 0.21 -0.12 0.00 0.02 0.00 0.00 177.57 177.61 3f6r h ALA 138 N -0.01 1.69 -0.10 1.67 0.00 0.29 -1.09 119.26 121.71 3f6r h ALA 138 Ca -0.02 -0.15 -0.22 0.00 0.00 0.00 0.00 54.91 54.52 3f6r h ALA 138 Cb 0.51 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.26 3f6r h ALA 138 CO 0.03 0.23 -0.79 1.03 0.00 0.00 0.00 179.25 179.76 3f6r h SER 139 N 0.10 0.87 -0.73 0.00 0.87 0.52 -1.55 113.55 113.63 3f6r h SER 139 Ca 0.02 -0.66 0.00 0.00 -1.23 0.00 0.00 61.79 59.92 3f6r h SER 139 Cb 0.27 -0.26 -0.04 0.00 -0.44 0.00 0.00 62.40 61.94 3f6r h SER 139 CO 0.02 1.40 0.46 0.15 -0.53 0.00 0.00 176.83 178.32 3f6r h PHE 140 N 0.41 0.95 -0.53 2.24 3.57 -1.23 -0.77 116.94 121.58 3f6r h PHE 140 Ca -0.07 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.37 3f6r h PHE 140 Cb 1.43 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 39.83 3f6r h PHE 140 CO 0.10 0.62 0.04 0.00 -2.23 0.00 0.00 178.31 176.85 3f6r h ALA 141 N 1.24 1.09 0.08 2.41 0.00 -1.19 -1.63 119.26 121.27 3f6r h ALA 141 Ca 0.26 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3f6r h ALA 141 Cb -0.06 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.52 3f6r h ALA 141 CO -0.05 0.59 -0.04 0.93 0.00 0.00 0.00 179.25 180.67 3f6r h GLU 142 N 0.81 -0.11 -0.59 0.00 5.08 -0.88 0.61 114.58 119.50 3f6r h GLU 142 Ca 0.16 0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.62 3f6r h GLU 142 Cb 0.42 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.63 3f6r h GLU 142 CO 0.01 -0.06 0.23 -0.44 -1.00 0.00 0.00 179.01 177.75 3f6r h ASP 143 N -0.12 0.24 0.60 1.42 5.19 -0.92 -2.15 116.42 120.68 3f6r h ASP 143 Ca -0.01 0.07 -0.03 0.00 -0.62 0.00 0.00 57.03 56.44 3f6r h ASP 143 Cb 0.09 0.05 0.01 0.00 0.18 0.00 0.00 39.33 39.66 3f6r h ASP 143 CO 0.02 0.15 -0.29 0.58 -3.12 0.00 0.00 179.24 176.58 3f6r h VAL 144 N 0.41 0.23 -1.07 -1.35 2.07 -1.15 -3.14 116.25 112.26 3f6r h VAL 144 Ca 0.29 -0.34 0.37 0.00 0.82 0.00 0.00 66.70 67.84 3f6r h VAL 144 Cb 0.34 0.32 -0.15 0.00 -1.52 0.00 0.00 31.29 30.27 3f6r h VAL 144 CO -0.28 0.03 0.62 -0.07 0.02 0.00 0.00 177.57 177.89 3f6r h LEU 145 N -1.08 0.41 -0.44 2.57 3.38 -0.73 -0.24 115.31 119.19 3f6r h LEU 145 Ca -0.08 0.19 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 3f6r h LEU 145 Cb 0.67 0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.58 3f6r h LEU 145 CO 0.14 -0.22 -0.02 0.11 0.09 0.00 0.00 178.44 178.54 3f6r h LYS 146 N 0.19 0.00 -0.02 1.13 1.79 -1.34 -2.94 116.57 115.38 3f6r h LYS 146 Ca 0.78 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.25 3f6r h LYS 146 Cb 2.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.65 3f6r h LYS 146 CO -0.60 0.02 -0.09 1.04 -1.08 0.00 0.00 179.45 178.73 3f6r n GLN 147 N -3.11 1.66 0.00 3.15 1.13 -0.11 -5.12 117.38 114.98 3f6r n GLN 147 Ca 0.03 -1.15 0.16 0.00 -1.94 0.00 0.00 57.00 54.10 3f6r n GLN 147 Cb 0.47 -1.48 0.93 0.00 0.11 0.00 0.00 30.24 30.28 3f6r n GLN 147 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90