#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 3.63 -0.11 1.43 1.02 -1.26 -0.45 119.74 124.00 3f6r s LYS 3 Ca 0.00 -0.50 0.02 0.00 0.02 0.00 0.00 55.97 55.51 3f6r s LYS 3 Cb 0.00 -3.19 -0.01 0.00 -0.52 0.00 0.00 37.83 34.11 3f6r s LYS 3 CO 0.00 -0.08 -0.18 0.08 -0.92 0.00 0.00 175.35 174.25 3f6r s VAL 4 N 1.29 2.64 -0.12 3.17 1.01 0.26 -0.74 120.40 127.90 3f6r s VAL 4 Ca 0.04 -0.82 -0.04 0.00 0.00 0.00 0.00 61.98 61.16 3f6r s VAL 4 Cb -0.15 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 34.14 3f6r s VAL 4 CO 0.02 0.55 0.03 -0.22 0.00 0.00 0.00 175.10 175.47 3f6r s LEU 5 N 0.19 3.69 -0.13 3.92 2.96 -0.49 -0.82 118.68 128.01 3f6r s LEU 5 Ca -0.11 0.13 0.01 0.00 -0.22 0.00 0.00 54.13 53.95 3f6r s LEU 5 Cb -0.16 -1.88 0.02 0.00 0.50 0.00 0.00 46.19 44.67 3f6r s LEU 5 CO 0.06 0.31 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.63 3f6r s ILE 6 N -0.45 1.49 -0.04 6.68 1.01 0.76 -0.92 121.20 129.73 3f6r s ILE 6 Ca 0.09 -0.60 0.03 0.00 0.00 0.00 0.00 60.65 60.17 3f6r s ILE 6 Cb -0.12 -1.40 0.00 0.00 0.01 0.00 0.00 42.46 40.96 3f6r s ILE 6 CO 0.02 0.44 -0.13 -0.69 0.00 0.00 0.00 174.94 174.58 3f6r s VAL 7 N 1.32 1.14 0.06 2.92 1.01 -0.61 -0.72 120.40 125.52 3f6r s VAL 7 Ca 0.01 -0.55 -0.00 0.00 0.00 0.00 0.00 61.98 61.43 3f6r s VAL 7 Cb -0.14 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.21 3f6r s VAL 7 CO -0.07 0.34 -0.04 0.72 0.00 0.00 0.00 175.10 176.05 3f6r s PHE 8 N 0.14 0.61 -0.08 5.22 -0.12 -0.94 -0.81 117.98 122.00 3f6r s PHE 8 Ca -0.04 -0.98 0.04 0.00 -0.05 0.00 0.00 56.93 55.90 3f6r s PHE 8 Cb -0.11 -0.41 -0.00 0.00 -0.63 0.00 0.00 43.02 41.87 3f6r s PHE 8 CO 0.02 -0.30 -0.22 0.20 -0.05 0.00 0.00 175.22 174.86 3f6r s GLY 9 N -2.83 1.24 -0.13 1.99 0.00 0.13 -0.97 107.32 106.74 3f6r s GLY 9 Ca 0.07 -0.90 -0.06 0.00 0.00 0.00 0.00 44.72 43.83 3f6r s GLY 9 CO -0.08 -0.33 0.29 -0.45 0.00 0.00 0.00 173.10 172.52 3f6r s SER 10 N 0.27 -0.06 -0.12 1.64 0.15 -1.26 -3.47 113.70 110.86 3f6r s SER 10 Ca -0.15 0.63 -0.12 0.00 0.70 0.00 0.00 55.95 57.02 3f6r s SER 10 Cb -0.17 0.63 -0.26 0.00 -1.71 0.00 0.00 66.02 64.52 3f6r s SER 10 CO 0.07 -0.20 0.43 0.28 1.20 0.00 0.00 173.24 175.02 3f6r h SER 11 N 7.68 0.37 -0.01 5.45 0.02 -2.00 -3.40 113.55 121.66 3f6r h SER 11 Ca -0.28 -0.86 0.00 0.00 -0.84 0.00 0.00 61.79 59.80 3f6r h SER 11 Cb 1.14 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.56 3f6r h SER 11 CO 0.25 1.74 -0.06 0.35 -1.14 0.00 0.00 176.83 177.97 3f6r n THR 12 N -3.75 0.00 0.00 -2.27 -2.24 -1.26 -5.01 114.28 99.76 3f6r n THR 12 Ca -0.29 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.02 3f6r n THR 12 Cb 0.96 1.20 0.00 0.00 -2.10 0.00 0.00 70.33 70.39 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 0.70 0.68 0.11 3.38 0.00 -1.26 -4.99 105.19 103.82 3f6r n GLY 13 Ca 0.06 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.92 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 0.53 1.61 2.35 -1.94 -1.92 115.58 116.53 3f6r h ASN 14 Ca 0.00 -0.73 -0.08 0.00 -0.55 0.00 0.00 56.30 54.93 3f6r h ASN 14 Cb 0.00 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 3f6r h ASN 14 CO 0.00 1.01 -0.40 0.74 -1.65 0.00 0.00 177.43 177.13 3f6r h THR 15 N -0.33 1.16 -0.19 2.81 2.02 -1.87 -2.59 112.91 113.92 3f6r h THR 15 Ca -0.04 -1.44 -0.14 0.00 0.77 0.00 0.00 66.41 65.56 3f6r h THR 15 Cb 1.04 1.81 -0.01 0.00 -1.74 0.00 0.00 68.15 69.25 3f6r h THR 15 CO 0.07 0.39 -0.47 -0.08 0.37 0.00 0.00 175.52 175.80 3f6r h GLU 16 N 0.00 0.48 -0.08 6.66 4.81 -1.85 -0.81 114.58 123.80 3f6r h GLU 16 Ca -0.00 -0.27 -0.00 0.00 -0.13 0.00 0.00 59.36 58.95 3f6r h GLU 16 Cb 0.77 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.17 3f6r h GLU 16 CO 0.05 0.85 0.03 1.03 -0.73 0.00 0.00 179.01 180.25 3f6r h SER 17 N 0.39 0.10 -0.76 1.04 0.87 -1.06 -1.54 113.55 112.59 3f6r h SER 17 Ca 0.02 -0.16 0.05 0.00 -1.23 0.00 0.00 61.79 60.47 3f6r h SER 17 Cb 0.97 -0.03 -0.05 0.00 -0.44 0.00 0.00 62.40 62.85 3f6r h SER 17 CO 0.09 0.23 0.47 0.40 -0.53 0.00 0.00 176.83 177.49 3f6r h ILE 18 N -0.03 1.05 -0.77 2.23 2.04 -1.36 -2.32 117.51 118.35 3f6r h ILE 18 Ca 0.03 -0.30 0.03 0.00 1.00 0.00 0.00 64.86 65.61 3f6r h ILE 18 Cb 0.16 0.09 -0.05 0.00 -0.74 0.00 0.00 36.82 36.29 3f6r h ILE 18 CO -0.00 0.16 0.49 0.00 0.00 0.00 0.00 178.15 178.80 3f6r h ALA 19 N 1.35 1.01 -0.03 1.87 0.00 -0.86 -0.59 119.26 122.01 3f6r h ALA 19 Ca 0.32 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 55.06 3f6r h ALA 19 Cb 0.10 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3f6r h ALA 19 CO -0.15 0.29 -0.63 1.96 0.00 0.00 0.00 179.25 180.72 3f6r h GLN 20 N 0.95 0.12 -0.16 0.00 4.20 -1.05 -1.53 115.11 117.64 3f6r h GLN 20 Ca 0.31 -0.09 -0.18 0.00 0.06 0.00 0.00 58.65 58.75 3f6r h GLN 20 Cb 0.02 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.81 3f6r h GLN 20 CO -0.11 0.71 -0.63 -0.22 -0.67 0.00 0.00 178.83 177.90 3f6r h LYS 21 N 0.08 0.57 -0.24 1.46 1.63 -1.07 -2.60 116.57 116.39 3f6r h LYS 21 Ca -0.01 -0.40 -0.02 0.00 -0.85 0.00 0.00 60.65 59.37 3f6r h LYS 21 Cb 1.14 0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.82 3f6r h LYS 21 CO 0.09 1.02 0.06 -0.07 -3.45 0.00 0.00 179.45 177.10 3f6r h LEU 22 N 0.42 0.37 -1.03 5.20 3.38 -0.90 -1.54 115.31 121.20 3f6r h LEU 22 Ca -0.01 -0.23 0.07 0.00 0.09 0.00 0.00 57.88 57.80 3f6r h LEU 22 Cb 1.20 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 41.79 3f6r h LEU 22 CO 0.12 0.50 0.64 -0.08 0.09 0.00 0.00 178.44 179.71 3f6r h GLU 23 N 0.22 1.11 -0.42 1.13 4.81 -1.26 -1.27 114.58 118.89 3f6r h GLU 23 Ca 0.08 -0.07 -0.14 0.00 -0.13 0.00 0.00 59.36 59.10 3f6r h GLU 23 Cb 0.27 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 3f6r h GLU 23 CO 0.00 0.73 -0.27 1.49 -0.73 0.00 0.00 179.01 180.24 3f6r h GLU 24 N 1.14 0.93 -0.23 1.92 4.81 -1.17 -0.87 114.58 121.10 3f6r h GLU 24 Ca 0.43 -0.43 -0.18 0.00 -0.13 0.00 0.00 59.36 59.05 3f6r h GLU 24 Cb 0.20 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.57 3f6r h GLU 24 CO -0.18 1.09 -0.57 -0.07 -0.73 0.00 0.00 179.01 178.56 3f6r h LEU 25 N 0.76 0.79 0.04 1.64 3.38 -0.86 -1.60 115.31 119.45 3f6r h LEU 25 Ca 0.09 -0.43 -0.27 0.00 0.09 0.00 0.00 57.88 57.35 3f6r h LEU 25 Cb 0.85 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 41.38 3f6r h LEU 25 CO 0.07 1.19 -1.17 0.40 0.09 0.00 0.00 178.44 179.02 3f6r h ILE 26 N 0.54 1.38 -0.23 1.22 2.04 -1.28 -2.74 117.51 118.43 3f6r h ILE 26 Ca 0.01 -2.64 -0.02 0.00 1.00 0.00 0.00 64.86 63.20 3f6r h ILE 26 Cb 1.14 2.70 -0.01 0.00 -0.74 0.00 0.00 36.82 39.91 3f6r h ILE 26 CO 0.12 0.79 0.04 0.00 0.00 0.00 0.00 178.15 179.09 3f6r h ALA 27 N 0.50 1.64 0.00 1.87 0.00 -1.15 -1.36 119.26 120.75 3f6r h ALA 27 Ca -0.14 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3f6r h ALA 27 Cb 1.85 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.53 3f6r h ALA 27 CO 0.21 0.28 0.00 0.00 0.00 0.00 0.00 179.25 179.74 3f6r h ALA 28 N 1.72 1.00 -0.10 0.00 0.00 -1.12 -2.40 119.26 118.36 3f6r h ALA 28 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3f6r h ALA 28 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3f6r h ALA 28 CO -0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 3f6r n GLY 29 N 0.07 -0.30 0.80 0.00 0.00 -0.52 -4.88 105.19 100.36 3f6r n GLY 29 Ca 0.01 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 0.95 0.79 3.91 -0.02 0.00 -0.90 -5.00 105.19 104.91 3f6r n GLY 30 Ca 0.14 -0.13 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 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 3.35 -0.36 1.61 4.02 -1.15 -4.37 115.29 116.38 3f6r s HIS 31 Ca 0.00 0.00 -0.16 0.00 1.02 0.00 0.00 55.06 55.92 3f6r s HIS 31 Cb 0.00 -1.55 -0.00 0.00 -1.02 0.00 0.00 32.58 30.00 3f6r s HIS 31 CO 0.00 0.49 0.42 -2.00 1.02 0.00 0.00 174.74 174.67 3f6r s GLU 32 N -3.61 3.50 -0.11 1.40 2.12 0.40 -4.23 118.70 118.18 3f6r s GLU 32 Ca 0.33 -0.39 -0.02 0.00 0.36 0.00 0.00 54.97 55.26 3f6r s GLU 32 Cb -0.09 -3.83 -0.03 0.00 0.26 0.00 0.00 34.13 30.43 3f6r s GLU 32 CO 0.27 -0.62 -0.04 0.08 -0.54 0.00 0.00 175.26 174.41 3f6r s VAL 33 N 2.16 3.88 -0.17 3.70 1.01 -1.26 -0.57 120.40 129.15 3f6r s VAL 33 Ca 0.14 -0.39 -0.03 0.00 0.00 0.00 0.00 61.98 61.70 3f6r s VAL 33 Cb -0.16 -2.65 -0.02 0.00 0.00 0.00 0.00 36.38 33.55 3f6r s VAL 33 CO 0.13 0.55 -0.06 -0.89 0.00 0.00 0.00 175.10 174.83 3f6r s THR 34 N -0.28 3.57 -0.21 3.92 2.01 0.00 -4.98 115.64 119.68 3f6r s THR 34 Ca 0.05 -0.46 -0.03 0.00 0.31 0.00 0.00 61.69 61.56 3f6r s THR 34 Cb -0.13 -2.57 -0.01 0.00 0.01 0.00 0.00 72.50 69.80 3f6r s THR 34 CO 0.02 0.47 -0.06 -0.22 -0.69 0.00 0.00 174.62 174.15 3f6r s LEU 35 N 0.72 2.85 -0.04 4.42 2.96 -1.26 -0.17 118.68 128.16 3f6r s LEU 35 Ca -0.03 -0.39 0.02 0.00 -0.22 0.00 0.00 54.13 53.51 3f6r s LEU 35 Cb -0.15 -1.71 0.01 0.00 0.50 0.00 0.00 46.19 44.84 3f6r s LEU 35 CO 0.02 0.01 -0.07 -0.76 -1.32 0.00 0.00 176.35 174.23 3f6r s LEU 36 N 1.29 1.57 -0.04 -0.68 1.43 0.10 -5.00 118.68 117.35 3f6r s LEU 36 Ca 0.03 -0.16 -0.30 0.00 -1.03 0.00 0.00 54.13 52.67 3f6r s LEU 36 Cb -0.14 -0.51 -0.03 0.00 0.03 0.00 0.00 46.19 45.54 3f6r s LEU 36 CO -0.03 0.00 1.07 0.21 0.23 0.00 0.00 176.35 177.84 3f6r s ASN 37 N 0.57 7.22 0.39 2.29 3.84 -1.26 -2.21 114.94 125.77 3f6r s ASN 37 Ca -0.09 1.70 0.14 0.00 0.21 0.00 0.00 52.86 54.83 3f6r s ASN 37 Cb -0.12 -2.56 0.97 0.00 -0.55 0.00 0.00 41.25 38.99 3f6r s ASN 37 CO 0.01 -0.42 1.85 0.00 -2.79 0.00 0.00 177.10 175.75 3f6r h ALA 38 N 7.04 2.04 -0.06 1.71 0.00 -1.35 0.29 119.26 128.94 3f6r h ALA 38 Ca -0.36 0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.59 3f6r h ALA 38 Cb 1.18 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 3f6r h ALA 38 CO 0.82 -0.32 0.09 0.00 0.00 0.00 0.00 179.25 179.85 3f6r h ALA 39 N 1.61 1.46 0.00 0.00 0.00 -1.80 -1.91 119.26 118.62 3f6r h ALA 39 Ca 0.47 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.38 3f6r h ALA 39 Cb 1.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3f6r h ALA 39 CO -0.21 -0.12 -1.55 -0.25 0.00 0.00 0.00 179.25 177.12 3f6r n ASP 40 N -3.56 0.37 -4.77 0.00 8.00 0.10 -5.00 116.55 111.69 3f6r n ASP 40 Ca -0.02 0.08 -0.39 0.00 0.71 0.00 0.00 54.79 55.17 3f6r n ASP 40 Cb 0.18 1.34 -0.06 0.00 -0.02 0.00 0.00 41.12 42.56 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 -3.43 3.44 -0.19 2.24 0.00 -0.72 -5.05 121.76 118.05 3f6r s ALA 41 Ca -0.04 0.36 -0.14 0.00 0.00 0.00 0.00 51.96 52.14 3f6r s ALA 41 Cb 0.12 -2.97 -0.04 0.00 0.00 0.00 0.00 23.12 20.23 3f6r s ALA 41 CO 0.86 0.27 0.32 -1.54 0.00 0.00 0.00 175.76 175.67 3f6r s SER 42 N -1.07 6.40 0.18 0.00 1.04 -1.26 -5.00 113.70 113.98 3f6r s SER 42 Ca 0.36 0.46 0.08 0.00 0.48 0.00 0.00 55.95 57.33 3f6r s SER 42 Cb -0.23 -2.19 0.01 0.00 0.10 0.00 0.00 66.02 63.71 3f6r s SER 42 CO 0.26 0.02 1.41 0.00 0.98 0.00 0.00 173.24 175.91 3f6r h ALA 43 N 7.06 0.59 -0.46 5.32 0.00 -1.92 -3.40 119.26 126.46 3f6r h ALA 43 Ca -0.39 -0.77 -0.44 0.00 0.00 0.00 0.00 54.91 53.31 3f6r h ALA 43 Cb 1.16 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.76 3f6r h ALA 43 CO 0.73 1.06 1.65 -1.91 0.00 0.00 0.00 179.25 180.78 3f6r n GLU 44 N -3.53 0.32 -1.16 0.00 4.07 -1.26 -0.92 120.64 118.16 3f6r n GLU 44 Ca -0.00 -0.06 -0.06 0.00 -0.06 0.00 0.00 57.16 56.98 3f6r n GLU 44 Cb 0.81 -2.11 -0.02 0.00 -0.06 0.00 0.00 31.44 30.06 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 11.89 -4.31 -0.25 4.31 5.15 0.15 -4.89 115.26 127.32 3f6r n ASN 45 Ca 0.57 0.14 0.26 0.00 -0.60 0.00 0.00 54.58 54.95 3f6r n ASN 45 Cb 0.21 -2.31 0.62 0.00 -0.53 0.00 0.00 39.78 37.78 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 0.21 0.00 1.20 5.85 -0.66 -0.14 115.31 121.77 3f6r h LEU 46 Ca -0.12 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.63 3f6r h LEU 46 Cb 0.58 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.60 3f6r h LEU 46 CO 0.17 0.06 -0.25 0.00 -0.34 0.00 0.00 178.44 178.08 3f6r n ALA 47 N -2.62 2.56 -1.67 1.25 0.00 -0.33 -4.90 120.51 114.80 3f6r n ALA 47 Ca 0.21 -0.12 -0.46 0.00 0.00 0.00 0.00 53.44 53.07 3f6r n ALA 47 Cb 0.91 -1.35 -0.04 0.00 0.00 0.00 0.00 19.45 18.97 3f6r n ALA 47 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3f6r n ASP 48 N -2.18 3.06 0.00 0.00 2.03 -0.07 -1.35 116.55 118.04 3f6r n ASP 48 Ca 0.05 1.08 0.00 0.00 0.52 0.00 0.00 54.79 56.44 3f6r n ASP 48 Cb 0.43 -1.42 0.00 0.00 -0.72 0.00 0.00 41.12 39.41 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 3.38 0.89 3.67 0.27 0.00 -1.26 -5.04 105.19 107.09 3f6r n GLY 49 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.32 3.32 0.15 1.61 1.51 -0.46 -4.73 117.35 116.44 3f6r s TYR 50 Ca 0.00 0.20 0.03 0.00 -1.01 0.00 0.00 57.07 56.28 3f6r s TYR 50 Cb 0.00 -2.17 -0.07 0.00 -0.11 0.00 0.00 41.96 39.61 3f6r s TYR 50 CO 0.00 0.16 1.34 -0.44 -1.11 0.00 0.00 175.55 175.50 3f6r h ASP 51 N 6.99 0.22 -4.58 2.29 3.32 -1.24 -3.46 116.42 119.96 3f6r h ASP 51 Ca -0.39 -0.19 -0.20 0.00 0.02 0.00 0.00 57.03 56.27 3f6r h ASP 51 Cb 1.16 -0.07 -0.23 0.00 0.22 0.00 0.00 39.33 40.41 3f6r h ASP 51 CO 0.71 1.04 -0.71 0.00 -1.72 0.00 0.00 179.24 178.55 3f6r s ALA 52 N -3.06 0.13 -0.12 3.45 0.00 -1.12 -3.21 121.76 117.83 3f6r s ALA 52 Ca -0.02 -0.43 0.01 0.00 0.00 0.00 0.00 51.96 51.52 3f6r s ALA 52 Cb 0.10 0.09 0.02 0.00 0.00 0.00 0.00 23.12 23.33 3f6r s ALA 52 CO 0.83 -0.09 -0.14 0.08 0.00 0.00 0.00 175.76 176.43 3f6r s VAL 53 N -1.00 1.48 -0.16 0.00 1.01 0.06 -1.39 120.40 120.40 3f6r s VAL 53 Ca -0.10 -0.61 -0.06 0.00 0.00 0.00 0.00 61.98 61.21 3f6r s VAL 53 Cb -0.07 -1.37 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 3f6r s VAL 53 CO -0.01 0.44 0.06 -0.76 0.00 0.00 0.00 175.10 174.84 3f6r s LEU 54 N 1.21 3.86 -0.14 3.92 1.43 -0.10 -2.28 118.68 126.59 3f6r s LEU 54 Ca -0.02 0.15 -0.00 0.00 -1.03 0.00 0.00 54.13 53.23 3f6r s LEU 54 Cb -0.14 -1.95 -0.01 0.00 0.03 0.00 0.00 46.19 44.11 3f6r s LEU 54 CO -0.05 0.25 -0.13 -0.36 0.23 0.00 0.00 176.35 176.29 3f6r s PHE 55 N -0.07 2.81 -0.13 0.29 0.40 -0.46 -1.57 117.98 119.26 3f6r s PHE 55 Ca 0.07 -0.74 0.01 0.00 -0.60 0.00 0.00 56.93 55.67 3f6r s PHE 55 Cb -0.12 -1.87 -0.01 0.00 0.51 0.00 0.00 43.02 41.53 3f6r s PHE 55 CO 0.01 -0.29 -0.17 0.20 0.70 0.00 0.00 175.22 175.67 3f6r s GLY 56 N 0.52 1.45 -0.25 4.36 0.00 0.01 -0.55 107.32 112.86 3f6r s GLY 56 Ca -0.09 -0.95 -0.15 0.00 0.00 0.00 0.00 44.72 43.53 3f6r s GLY 56 CO 0.04 -0.19 0.63 0.00 0.00 0.00 0.00 173.10 173.58 3f6r s SER 58 N 1.44 6.57 -0.06 0.00 1.04 -1.23 -4.56 113.70 116.91 3f6r s SER 58 Ca -0.09 0.94 -0.04 0.00 0.48 0.00 0.00 55.95 57.25 3f6r s SER 58 Cb -0.06 -2.24 -0.04 0.00 0.10 0.00 0.00 66.02 63.79 3f6r s SER 58 CO -0.16 -0.19 0.12 0.00 0.98 0.00 0.00 173.24 174.00 3f6r s ALA 59 N -2.02 3.77 0.00 5.32 0.00 -1.26 -1.31 121.76 126.25 3f6r s ALA 59 Ca 0.48 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 51.69 3f6r s ALA 59 Cb -0.11 -1.80 0.00 0.00 0.00 0.00 0.00 23.12 21.21 3f6r s ALA 59 CO 0.25 0.67 0.00 0.91 0.00 0.00 0.00 175.76 177.59 3f6r n TRP 60 N 1.53 0.00 -0.06 0.00 7.02 0.84 -4.93 117.44 121.84 3f6r n TRP 60 Ca -0.16 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.32 3f6r n TRP 60 Cb 0.54 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.43 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 1.20 -2.02 0.18 6.99 0.00 -1.26 -2.66 105.19 107.63 3f6r n GLY 61 Ca 0.00 -1.05 -0.15 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 0.56 0.00 1.61 4.05 -1.98 -3.44 114.93 115.73 3f6r h MET 62 Ca 0.00 -0.55 0.00 0.00 -0.28 0.00 0.00 59.70 58.87 3f6r h MET 62 Cb 0.00 0.14 0.00 0.00 -0.80 0.00 0.00 31.60 30.94 3f6r h MET 62 CO 0.00 1.17 0.00 0.39 0.23 0.00 0.00 176.91 178.70 3f6r n GLU 63 N -3.83 0.00 -0.60 0.39 1.02 -1.26 -5.07 120.64 111.29 3f6r n GLU 63 Ca -0.08 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 56.96 3f6r n GLU 63 Cb 0.81 0.00 0.08 0.00 -0.02 0.00 0.00 31.44 32.31 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 0.00 -0.37 -4.72 1.62 3.85 -1.26 -5.03 116.55 110.65 3f6r n ASP 64 Ca 0.00 -1.05 -0.40 0.00 -0.71 0.00 0.00 54.79 52.63 3f6r n ASP 64 Cb 0.00 -0.37 -0.05 0.00 -1.35 0.00 0.00 41.12 39.36 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 4.34 -0.08 -2.12 1.98 -1.26 -4.31 118.68 117.23 3f6r s LEU 65 Ca 0.27 1.27 0.01 0.00 -2.89 0.00 0.00 54.13 52.78 3f6r s LEU 65 Cb -0.01 -3.14 0.02 0.00 0.66 0.00 0.00 46.19 43.72 3f6r s LEU 65 CO 0.19 -0.10 -0.10 -1.61 -1.89 0.00 0.00 176.35 172.84 3f6r s GLU 66 N 0.67 1.54 0.74 1.98 2.02 -1.09 -4.92 118.70 119.64 3f6r s GLU 66 Ca 0.39 -0.32 -0.12 0.00 0.02 0.00 0.00 54.97 54.93 3f6r s GLU 66 Cb -0.18 -1.41 0.04 0.00 0.10 0.00 0.00 34.13 32.68 3f6r s GLU 66 CO 0.20 -0.09 1.11 -1.64 0.02 0.00 0.00 175.26 174.85 3f6r s MET 67 N 1.07 2.37 0.23 1.61 -1.94 -1.26 -0.11 119.30 121.27 3f6r s MET 67 Ca -0.07 1.31 -0.31 0.00 -1.71 0.00 0.00 55.69 54.90 3f6r s MET 67 Cb -0.14 -1.90 -0.14 0.00 2.01 0.00 0.00 34.83 34.66 3f6r s MET 67 CO -0.01 -1.57 1.36 0.94 -0.01 0.00 0.00 175.02 175.73 3f6r n GLN 68 N -3.12 1.88 -0.05 2.03 0.00 -0.43 -4.74 117.38 112.96 3f6r n GLN 68 Ca 0.10 0.67 -0.06 0.00 -0.00 0.00 0.00 57.00 57.71 3f6r n GLN 68 Cb 0.52 -2.30 0.12 0.00 0.00 0.00 0.00 30.24 28.59 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 4.02 0.67 -0.37 1.69 1.82 -1.92 0.44 116.42 122.78 3f6r h ASP 69 Ca -0.45 -0.24 -0.04 0.00 -0.39 0.00 0.00 57.03 55.91 3f6r h ASP 69 Cb 1.29 -0.18 -0.02 0.00 0.68 0.00 0.00 39.33 41.09 3f6r h ASP 69 CO 0.74 0.90 0.10 0.44 -1.61 0.00 0.00 179.24 179.82 3f6r h ASP 70 N 0.57 0.61 0.08 2.28 3.32 -1.96 -1.98 116.42 119.33 3f6r h ASP 70 Ca 0.08 -0.09 -0.25 0.00 0.02 0.00 0.00 57.03 56.79 3f6r h ASP 70 Cb 0.73 -0.16 0.02 0.00 0.22 0.00 0.00 39.33 40.15 3f6r h ASP 70 CO 0.06 0.61 -1.02 0.15 -1.72 0.00 0.00 179.24 177.32 3f6r h PHE 71 N 0.64 0.88 -0.38 4.55 3.57 -1.71 -3.25 116.94 121.24 3f6r h PHE 71 Ca 0.15 -0.53 0.08 0.00 3.53 0.00 0.00 57.97 61.19 3f6r h PHE 71 Cb 0.25 -0.08 -0.07 0.00 2.79 0.00 0.00 35.95 38.84 3f6r h PHE 71 CO 0.01 1.38 -0.09 1.25 -2.23 0.00 0.00 178.31 178.63 3f6r h LEU 72 N 0.13 -0.35 -1.10 0.59 5.85 -0.71 0.63 115.31 120.35 3f6r h LEU 72 Ca -0.15 0.11 0.16 0.00 0.84 0.00 0.00 57.88 58.84 3f6r h LEU 72 Cb 1.72 0.23 -0.09 0.00 0.37 0.00 0.00 40.66 42.89 3f6r h LEU 72 CO 0.20 -0.12 0.61 0.28 -0.34 0.00 0.00 178.44 179.07 3f6r h SER 73 N 0.00 0.78 -0.02 1.25 0.02 -1.46 0.26 113.55 114.39 3f6r h SER 73 Ca 0.18 0.07 -0.20 0.00 -0.84 0.00 0.00 61.79 61.00 3f6r h SER 73 Cb 0.28 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.74 3f6r h SER 73 CO -0.39 0.35 -0.73 0.25 -1.14 0.00 0.00 176.83 175.17 3f6r h LEU 74 N 0.80 0.78 -0.95 5.07 5.85 -1.15 -3.27 115.31 122.43 3f6r h LEU 74 Ca 0.52 -0.50 0.08 0.00 0.84 0.00 0.00 57.88 58.82 3f6r h LEU 74 Cb 0.76 -0.23 -0.07 0.00 0.37 0.00 0.00 40.66 41.49 3f6r h LEU 74 CO -0.29 1.27 0.60 0.15 -0.34 0.00 0.00 178.44 179.83 3f6r h PHE 75 N 0.46 1.11 0.00 1.25 3.57 0.36 -0.46 116.94 123.23 3f6r h PHE 75 Ca -0.04 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 3f6r h PHE 75 Cb 1.33 -0.36 -0.00 0.00 2.79 0.00 0.00 35.95 39.71 3f6r h PHE 75 CO 0.07 0.54 -0.01 1.49 -2.23 0.00 0.00 178.31 178.17 3f6r h GLU 76 N 1.06 0.00 -0.47 1.11 4.81 -1.16 -1.90 114.58 118.03 3f6r h GLU 76 Ca 0.43 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.66 3f6r h GLU 76 Cb 0.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.62 3f6r h GLU 76 CO -0.20 0.01 0.00 0.39 -0.73 0.00 0.00 179.01 178.49 3f6r n GLU 77 N -3.62 3.27 -0.05 1.92 -0.58 -0.20 -4.55 120.64 116.83 3f6r n GLU 77 Ca -0.03 -2.63 0.25 0.00 -0.42 0.00 0.00 57.16 54.33 3f6r n GLU 77 Cb 0.10 -1.69 0.71 0.00 -0.57 0.00 0.00 31.44 29.98 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 2.92 0.00 0.00 -0.32 -1.00 -1.12 -1.01 116.94 116.41 3f6r h PHE 78 Ca 0.00 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.76 3f6r h PHE 78 Cb 1.23 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.79 3f6r h PHE 78 CO 0.54 0.00 -0.08 -0.44 -1.61 0.00 0.00 178.31 176.72 3f6r h ASP 79 N 0.00 0.00 -0.14 2.17 3.32 -1.83 -2.68 116.42 117.25 3f6r h ASP 79 Ca 0.32 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.37 3f6r h ASP 79 Cb 1.57 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.12 3f6r h ASP 79 CO -0.00 0.08 0.00 0.54 -1.72 0.00 0.00 179.24 178.13 3f6r n ARG 80 N -3.77 1.79 0.03 3.56 1.74 -0.39 -4.56 116.66 115.05 3f6r n ARG 80 Ca -0.02 -1.76 -0.17 0.00 -0.77 0.00 0.00 57.85 55.13 3f6r n ARG 80 Cb 0.18 -1.37 -0.07 0.00 -1.02 0.00 0.00 32.46 30.18 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 3.48 1.30 -0.49 0.55 2.04 -1.51 0.42 117.51 123.30 3f6r h ILE 81 Ca 0.00 -2.18 0.00 0.00 1.00 0.00 0.00 64.86 63.68 3f6r h ILE 81 Cb 0.78 2.23 0.00 0.00 -0.74 0.00 0.00 36.82 39.09 3f6r h ILE 81 CO 0.00 0.67 0.00 0.61 0.00 0.00 0.00 178.15 179.43 3f6r n GLY 82 N 0.90 0.50 0.07 5.37 0.00 -1.26 -1.19 105.19 109.58 3f6r n GLY 82 Ca -0.09 -0.14 0.13 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.24 0.50 -4.71 0.99 4.77 -1.26 -4.60 117.00 112.44 3f6r n LEU 83 Ca 0.00 0.04 -0.42 0.00 -0.03 0.00 0.00 56.01 55.60 3f6r n LEU 83 Cb 0.12 -0.26 -0.03 0.00 -2.33 0.00 0.00 43.42 40.92 3f6r n LEU 83 CO 0.00 0.11 1.37 0.00 -1.33 0.00 0.00 177.39 177.53 3f6r s ALA 84 N -2.81 3.84 0.00 -1.18 0.00 -1.23 -1.30 121.76 119.09 3f6r s ALA 84 Ca 0.17 1.48 0.00 0.00 0.00 0.00 0.00 51.96 53.61 3f6r s ALA 84 Cb 0.19 -3.70 0.00 0.00 0.00 0.00 0.00 23.12 19.61 3f6r s ALA 84 CO 0.59 -0.99 0.00 0.41 0.00 0.00 0.00 175.76 175.77 3f6r n GLY 85 N 4.00 0.22 3.95 0.00 0.00 0.10 -4.93 105.19 108.53 3f6r n GLY 85 Ca 0.16 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.15 3.47 0.01 1.61 0.52 -0.42 -4.84 118.95 118.15 3f6r s ARG 86 Ca 0.00 -0.50 -0.18 0.00 -0.52 0.00 0.00 55.73 54.53 3f6r s ARG 86 Cb 0.00 -2.76 -0.06 0.00 0.52 0.00 0.00 34.95 32.65 3f6r s ARG 86 CO 0.00 0.28 0.52 0.15 0.02 0.00 0.00 175.30 176.27 3f6r s LYS 87 N -4.11 4.17 0.00 3.54 1.02 -1.20 0.12 119.74 123.29 3f6r s LYS 87 Ca 0.38 0.61 -0.04 0.00 0.02 0.00 0.00 55.97 56.94 3f6r s LYS 87 Cb -0.09 -3.28 -0.01 0.00 -0.52 0.00 0.00 37.83 33.93 3f6r s LYS 87 CO 0.33 0.54 0.07 0.08 -0.92 0.00 0.00 175.35 175.45 3f6r s VAL 88 N -0.69 0.08 0.07 3.17 1.01 0.13 -0.76 120.40 123.41 3f6r s VAL 88 Ca 0.28 -0.68 -0.07 0.00 0.00 0.00 0.00 61.98 61.50 3f6r s VAL 88 Cb -0.18 -0.34 -0.01 0.00 0.00 0.00 0.00 36.38 35.86 3f6r s VAL 88 CO 0.16 -0.37 0.15 0.00 0.00 0.00 0.00 175.10 175.04 3f6r s ALA 89 N -1.23 -0.13 0.14 5.51 0.00 -0.97 -0.17 121.76 124.91 3f6r s ALA 89 Ca -0.13 -0.62 0.10 0.00 0.00 0.00 0.00 51.96 51.30 3f6r s ALA 89 Cb -0.08 0.38 -0.04 0.00 0.00 0.00 0.00 23.12 23.39 3f6r s ALA 89 CO 0.00 -0.44 -0.19 0.00 0.00 0.00 0.00 175.76 175.13 3f6r s ALA 90 N -3.44 2.64 0.29 0.00 0.00 -1.26 -1.36 121.76 118.62 3f6r s ALA 90 Ca 0.02 -1.44 0.03 0.00 0.00 0.00 0.00 51.96 50.58 3f6r s ALA 90 Cb 0.03 -0.56 -0.03 0.00 0.00 0.00 0.00 23.12 22.56 3f6r s ALA 90 CO -0.09 0.54 0.25 -0.59 0.00 0.00 0.00 175.76 175.87 3f6r s PHE 91 N -1.29 1.48 0.00 0.00 -0.71 0.29 -1.62 117.98 116.13 3f6r s PHE 91 Ca 0.19 -1.53 0.00 0.00 -1.04 0.00 0.00 56.93 54.55 3f6r s PHE 91 Cb -0.10 -0.60 0.00 0.00 -1.21 0.00 0.00 43.02 41.11 3f6r s PHE 91 CO 0.10 -0.82 0.00 0.00 -1.34 0.00 0.00 175.22 173.16 3f6r n ALA 92 N -0.50 0.00 -2.77 1.99 0.00 -0.93 -2.51 120.51 115.79 3f6r n ALA 92 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.17 3f6r n ALA 92 Cb 0.63 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.02 3f6r n ALA 92 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3f6r s SER 93 N 0.00 5.56 0.00 0.00 0.15 -1.26 -2.93 113.70 115.22 3f6r s SER 93 Ca 0.00 0.06 0.00 0.00 0.70 0.00 0.00 55.95 56.71 3f6r s SER 93 Cb 0.00 -1.53 0.00 0.00 -1.71 0.00 0.00 66.02 62.78 3f6r s SER 93 CO 0.00 0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.27 3f6r n GLY 94 N 0.83 2.03 2.77 9.45 0.00 0.11 -4.34 105.19 116.05 3f6r n GLY 94 Ca -0.11 -0.95 -0.25 0.00 0.00 0.00 0.00 46.02 44.72 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 -0.46 2.05 0.49 1.61 2.15 -1.26 -4.15 116.67 117.09 3f6r s ASP 95 Ca 0.00 -0.33 0.16 0.00 0.43 0.00 0.00 52.55 52.80 3f6r s ASP 95 Cb 0.00 -0.52 1.17 0.00 -0.30 0.00 0.00 42.92 43.28 3f6r s ASP 95 CO 0.00 -0.22 2.07 1.56 -0.17 0.00 0.00 175.17 178.41 3f6r h GLN 96 N 8.29 0.17 0.00 4.34 1.08 -1.99 -1.15 115.11 125.85 3f6r h GLN 96 Ca -0.19 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.00 3f6r h GLN 96 Cb 1.12 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 28.52 3f6r h GLN 96 CO 0.30 0.11 0.00 0.39 -0.95 0.00 0.00 178.83 178.68 3f6r n GLU 97 N -4.48 0.42 -4.09 1.46 1.02 -1.26 -4.66 120.64 109.04 3f6r n GLU 97 Ca 0.03 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 56.91 3f6r n GLU 97 Cb 0.23 -1.21 -0.06 0.00 -0.02 0.00 0.00 31.44 30.39 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 3.13 0.02 -0.32 1.51 -0.44 -5.05 117.35 114.19 3f6r s TYR 98 Ca 0.08 -0.03 -0.25 0.00 -1.01 0.00 0.00 57.07 55.87 3f6r s TYR 98 Cb 0.04 -1.50 -0.18 0.00 -0.11 0.00 0.00 41.96 40.21 3f6r s TYR 98 CO 0.06 0.52 1.43 1.49 -1.11 0.00 0.00 175.55 177.94 3f6r h GLU 99 N 2.40 -0.02 -3.79 -0.62 4.81 -1.86 -3.37 114.58 112.12 3f6r h GLU 99 Ca -0.48 0.00 -0.79 0.00 -0.13 0.00 0.00 59.36 57.97 3f6r h GLU 99 Cb 1.20 0.00 -0.26 0.00 0.63 0.00 0.00 28.75 30.32 3f6r h GLU 99 CO 0.63 0.29 0.27 -1.01 -0.73 0.00 0.00 179.01 178.46 3f6r s HIS 100 N -4.93 3.93 -0.08 0.92 3.76 -1.26 -5.03 115.29 112.60 3f6r s HIS 100 Ca -0.15 -2.23 -0.29 0.00 -0.15 0.00 0.00 55.06 52.23 3f6r s HIS 100 Cb 0.03 -3.85 -0.06 0.00 1.11 0.00 0.00 32.58 29.81 3f6r s HIS 100 CO 0.66 -1.00 1.86 0.12 -0.85 0.00 0.00 174.74 175.54 3f6r s PHE 101 N -0.26 1.60 -1.21 1.40 5.36 -1.26 -2.79 117.98 120.82 3f6r s PHE 101 Ca 0.23 0.06 -0.23 0.00 -0.96 0.00 0.00 56.93 56.04 3f6r s PHE 101 Cb -0.10 -4.06 0.01 0.00 -0.34 0.00 0.00 43.02 38.53 3f6r s PHE 101 CO -0.08 -4.38 0.69 0.00 -1.46 0.00 0.00 175.22 169.98 3f6r n GLY 103 N -1.88 -1.27 0.15 0.00 0.00 -1.12 -2.16 105.19 98.92 3f6r n GLY 103 Ca -0.13 0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3f6r n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f6r h ALA 104 N 2.37 0.98 0.63 4.61 0.00 -1.88 -3.21 119.26 122.76 3f6r h ALA 104 Ca 0.00 -0.51 -0.03 0.00 0.00 0.00 0.00 54.91 54.37 3f6r h ALA 104 Cb 0.38 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3f6r h ALA 104 CO 0.00 0.70 -0.32 0.28 0.00 0.00 0.00 179.25 179.91 3f6r h VAL 105 N 0.00 0.34 -0.30 0.00 2.07 -1.70 -0.14 116.25 116.53 3f6r h VAL 105 Ca -0.01 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 3f6r h VAL 105 Cb 1.05 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 3f6r h VAL 105 CO 0.07 0.00 0.11 1.55 0.02 0.00 0.00 177.57 179.33 3f6r h PRO 106 N -0.87 0.41 -0.41 1.57 0.13 -1.73 -2.38 132.00 128.71 3f6r h PRO 106 Ca -0.08 -0.05 -0.12 0.00 -0.87 0.00 0.00 66.00 64.88 3f6r h PRO 106 Cb 0.68 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.72 3f6r h PRO 106 CO 0.13 0.35 -0.23 0.00 -0.23 0.00 0.00 178.00 178.01 3f6r h ALA 107 N 1.72 0.81 -0.24 -0.56 0.00 -1.48 -1.94 119.26 117.57 3f6r h ALA 107 Ca 0.10 -0.38 -0.08 0.00 0.00 0.00 0.00 54.91 54.56 3f6r h ALA 107 Cb 0.09 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3f6r h ALA 107 CO -0.01 0.65 -0.15 0.82 0.00 0.00 0.00 179.25 180.56 3f6r h ILE 108 N 0.73 1.31 -0.97 0.00 2.04 -0.83 -2.28 117.51 117.51 3f6r h ILE 108 Ca 0.10 -1.25 0.08 0.00 1.00 0.00 0.00 64.86 64.78 3f6r h ILE 108 Cb 0.76 1.61 -0.07 0.00 -0.74 0.00 0.00 36.82 38.39 3f6r h ILE 108 CO 0.06 0.39 0.62 -0.33 0.00 0.00 0.00 178.15 178.89 3f6r h GLU 109 N 0.23 1.04 -0.08 2.37 5.08 -1.30 -0.63 114.58 121.29 3f6r h GLU 109 Ca 0.05 -0.06 -0.25 0.00 -1.00 0.00 0.00 59.36 58.10 3f6r h GLU 109 Cb 0.66 -0.24 0.02 0.00 0.50 0.00 0.00 28.75 29.69 3f6r h GLU 109 CO 0.04 0.69 -0.91 0.93 -1.00 0.00 0.00 179.01 178.76 3f6r h GLU 110 N 1.08 0.74 -0.63 2.33 5.08 -1.26 -2.10 114.58 119.81 3f6r h GLU 110 Ca 0.43 -0.70 -0.03 0.00 -1.00 0.00 0.00 59.36 58.06 3f6r h GLU 110 Cb 0.26 0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 3f6r h GLU 110 CO -0.18 1.29 0.28 -0.09 -1.00 0.00 0.00 179.01 179.30 3f6r h ARG 111 N 0.47 0.93 -0.64 2.33 9.65 -1.16 -2.15 114.38 123.79 3f6r h ARG 111 Ca -0.09 -0.15 -0.01 0.00 -1.10 0.00 0.00 59.98 58.62 3f6r h ARG 111 Cb 1.55 -0.16 -0.03 0.00 -1.39 0.00 0.00 29.97 29.94 3f6r h ARG 111 CO 0.18 0.77 0.35 0.00 2.80 0.00 0.00 179.97 184.07 3f6r h ALA 112 N 1.12 0.82 -0.46 2.80 0.00 -1.05 -1.92 119.26 120.56 3f6r h ALA 112 Ca 0.21 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 3f6r h ALA 112 Cb 0.17 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3f6r h ALA 112 CO -0.02 0.34 0.05 0.87 0.00 0.00 0.00 179.25 180.48 3f6r h LYS 113 N 0.87 0.78 0.00 0.00 1.57 -1.33 0.14 116.57 118.61 3f6r h LYS 113 Ca 0.23 -0.23 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3f6r h LYS 113 Cb 0.05 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.27 3f6r h LYS 113 CO -0.04 0.81 -0.00 0.93 -0.57 0.00 0.00 179.45 180.59 3f6r h GLU 114 N 0.64 0.00 -0.43 3.15 5.08 -1.02 -0.61 114.58 121.38 3f6r h GLU 114 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3f6r h GLU 114 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 3f6r h GLU 114 CO 0.01 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.31 3f6r n LEU 115 N -3.11 3.34 0.00 1.33 4.77 -0.76 -4.95 117.00 117.61 3f6r n LEU 115 Ca -0.03 -1.69 0.00 0.00 -0.03 0.00 0.00 56.01 54.26 3f6r n LEU 115 Cb 0.08 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 3f6r n LEU 115 CO 0.21 0.77 0.00 0.61 -1.33 0.00 0.00 177.39 177.65 3f6r n GLY 116 N 1.24 0.91 3.88 -0.72 0.00 -0.24 -3.48 105.19 106.79 3f6r n GLY 116 Ca 0.18 -0.09 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 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 3.10 -0.20 4.61 0.00 0.45 0.01 121.76 127.73 3f6r s ALA 117 Ca 0.00 -0.23 -0.03 0.00 0.00 0.00 0.00 51.96 51.71 3f6r s ALA 117 Cb 0.00 -2.99 -0.01 0.00 0.00 0.00 0.00 23.12 20.12 3f6r s ALA 117 CO 0.00 -0.76 -0.07 0.99 0.00 0.00 0.00 175.76 175.91 3f6r s THR 118 N -3.16 3.22 -0.44 0.00 2.01 0.12 -4.44 115.64 112.95 3f6r s THR 118 Ca 0.55 -0.56 -0.29 0.00 0.31 0.00 0.00 61.69 61.71 3f6r s THR 118 Cb -0.11 -2.43 0.01 0.00 0.01 0.00 0.00 72.50 69.98 3f6r s THR 118 CO 0.52 0.46 1.43 -0.63 -0.69 0.00 0.00 174.62 175.71 3f6r s ILE 119 N 1.17 3.87 0.07 1.82 -1.09 -1.26 -0.69 121.20 125.09 3f6r s ILE 119 Ca 0.02 0.86 -0.20 0.00 -2.23 0.00 0.00 60.65 59.10 3f6r s ILE 119 Cb -0.14 -4.22 -0.10 0.00 -1.58 0.00 0.00 42.46 36.41 3f6r s ILE 119 CO -0.02 -0.81 1.51 0.40 -1.23 0.00 0.00 174.94 174.79 3f6r h ILE 120 N 6.47 1.25 -3.15 2.92 2.04 -0.92 -3.46 117.51 122.65 3f6r h ILE 120 Ca -0.28 -0.83 -0.14 0.00 1.00 0.00 0.00 64.86 64.62 3f6r h ILE 120 Cb 1.11 1.41 -0.22 0.00 -0.74 0.00 0.00 36.82 38.38 3f6r h ILE 120 CO 1.10 0.25 -0.37 0.00 0.00 0.00 0.00 178.15 179.14 3f6r s ALA 121 N -5.03 -0.65 0.45 1.87 0.00 -1.26 -4.83 121.76 112.31 3f6r s ALA 121 Ca -0.14 0.40 -0.24 0.00 0.00 0.00 0.00 51.96 51.98 3f6r s ALA 121 Cb 0.07 -0.12 -0.09 0.00 0.00 0.00 0.00 23.12 22.98 3f6r s ALA 121 CO 0.73 -0.20 1.24 0.39 0.00 0.00 0.00 175.76 177.91 3f6r n GLU 122 N 1.95 1.77 -1.71 0.00 1.02 -1.26 -4.55 120.64 117.85 3f6r n GLU 122 Ca -0.18 0.63 -0.43 0.00 -0.02 0.00 0.00 57.16 57.16 3f6r n GLU 122 Cb 0.57 -2.36 -0.01 0.00 -0.02 0.00 0.00 31.44 29.61 3f6r n GLU 122 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3f6r n GLY 123 N 0.87 0.86 3.67 0.62 0.00 -1.26 -4.87 105.19 105.09 3f6r n GLY 123 Ca 0.08 0.38 -0.43 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.84 4.17 -0.19 0.99 2.96 -0.64 -4.98 118.68 120.15 3f6r s LEU 124 Ca 0.59 1.40 0.01 0.00 -0.22 0.00 0.00 54.13 55.91 3f6r s LEU 124 Cb -0.56 -3.50 0.04 0.00 0.50 0.00 0.00 46.19 42.67 3f6r s LEU 124 CO 0.57 -0.55 -0.10 -0.54 -1.32 0.00 0.00 176.35 174.42 3f6r s LYS 125 N 2.60 1.95 0.34 1.98 1.02 -1.26 -2.18 119.74 124.18 3f6r s LYS 125 Ca 0.45 -0.76 0.01 0.00 0.02 0.00 0.00 55.97 55.69 3f6r s LYS 125 Cb -0.16 -2.31 -0.01 0.00 -0.52 0.00 0.00 37.83 34.83 3f6r s LYS 125 CO 0.11 -0.41 0.41 0.00 -0.92 0.00 0.00 175.35 174.55 3f6r s MET 126 N 1.45 1.88 0.08 1.68 0.23 -1.15 -5.04 119.30 118.43 3f6r s MET 126 Ca -0.00 -1.86 0.07 0.00 -1.03 0.00 0.00 55.69 52.87 3f6r s MET 126 Cb -0.16 0.41 -0.04 0.00 -1.53 0.00 0.00 34.83 33.51 3f6r s MET 126 CO -0.08 -0.75 -0.13 -1.21 -2.03 0.00 0.00 175.02 170.81 3f6r s GLU 127 N -3.15 2.07 2.89 3.16 2.02 -1.26 0.09 118.70 124.52 3f6r s GLU 127 Ca 0.34 -1.02 0.00 0.00 0.02 0.00 0.00 54.97 54.31 3f6r s GLU 127 Cb 0.00 -2.25 0.00 0.00 0.10 0.00 0.00 34.13 31.98 3f6r s GLU 127 CO 0.23 0.52 0.00 0.41 0.02 0.00 0.00 175.26 176.44 3f6r n GLY 128 N 0.99 -0.07 0.71 -1.39 0.00 -1.26 -4.70 105.19 99.47 3f6r n GLY 128 Ca -0.15 -0.99 -0.04 0.00 0.00 0.00 0.00 46.02 44.84 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 -1.23 0.29 -0.22 1.61 3.85 -1.26 -4.71 116.55 114.90 3f6r n ASP 129 Ca 0.00 -1.23 -0.07 0.00 -0.71 0.00 0.00 54.79 52.78 3f6r n ASP 129 Cb 0.00 -0.10 0.03 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 -0.15 0.78 0.00 2.12 0.00 -1.81 -2.07 119.26 118.12 3f6r h ALA 130 Ca -0.06 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3f6r h ALA 130 Cb 0.22 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3f6r h ALA 130 CO 0.07 0.36 0.00 0.43 0.00 0.00 0.00 179.25 180.11 3f6r n SER 131 N -4.50 0.17 0.01 0.00 7.64 -1.26 -2.21 113.62 113.47 3f6r n SER 131 Ca 0.04 0.56 0.13 0.00 1.01 0.00 0.00 58.87 60.60 3f6r n SER 131 Cb 0.14 -0.59 0.34 0.00 -1.01 0.00 0.00 64.21 63.09 3f6r n SER 131 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 3f6r n ASN 132 N -1.71 0.40 -2.70 6.43 2.85 -0.78 -4.47 115.26 115.27 3f6r n ASN 132 Ca 0.01 -0.02 -0.07 0.00 -0.11 0.00 0.00 54.58 54.40 3f6r n ASN 132 Cb 0.09 0.04 0.10 0.00 1.24 0.00 0.00 39.78 41.25 3f6r n ASN 132 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 3f6r n ASP 133 N -1.57 -1.92 0.05 1.20 -0.08 -0.94 -4.98 116.55 108.32 3f6r n ASP 133 Ca 0.06 -2.99 0.11 0.00 -1.51 0.00 0.00 54.79 50.46 3f6r n ASP 133 Cb 0.35 1.63 0.58 0.00 2.34 0.00 0.00 41.12 46.02 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 2.68 0.21 0.05 -0.67 0.13 -1.73 -1.95 132.00 130.72 3f6r h PRO 134 Ca -0.18 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 64.93 3f6r h PRO 134 Cb 1.14 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.23 3f6r h PRO 134 CO 0.08 0.14 -0.03 0.93 -0.23 0.00 0.00 178.00 178.89 3f6r h GLU 135 N 0.21 -0.07 -0.80 0.86 4.39 -1.96 0.74 114.58 117.95 3f6r h GLU 135 Ca 0.17 0.00 0.09 0.00 0.34 0.00 0.00 59.36 59.97 3f6r h GLU 135 Cb 0.40 0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 29.01 3f6r h GLU 135 CO -0.03 0.15 0.52 0.00 -1.16 0.00 0.00 179.01 178.49 3f6r h ALA 136 N 0.65 1.74 -0.10 3.43 0.00 -1.77 0.33 119.26 123.54 3f6r h ALA 136 Ca -0.01 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 3f6r h ALA 136 Cb 0.25 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3f6r h ALA 136 CO 0.01 0.10 -0.24 0.28 0.00 0.00 0.00 179.25 179.40 3f6r h VAL 137 N 0.75 1.40 -0.31 0.00 2.07 -1.31 -2.85 116.25 116.01 3f6r h VAL 137 Ca 0.37 -1.56 -0.10 0.00 0.82 0.00 0.00 66.70 66.22 3f6r h VAL 137 Cb 0.42 2.16 -0.01 0.00 -1.52 0.00 0.00 31.29 32.34 3f6r h VAL 137 CO -0.14 0.45 -0.23 0.00 0.02 0.00 0.00 177.57 177.67 3f6r h ALA 138 N 0.49 1.02 -0.26 1.67 0.00 0.20 -1.86 119.26 120.52 3f6r h ALA 138 Ca -0.00 -0.35 -0.16 0.00 0.00 0.00 0.00 54.91 54.40 3f6r h ALA 138 Cb 0.85 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3f6r h ALA 138 CO 0.05 0.59 -0.46 1.03 0.00 0.00 0.00 179.25 180.46 3f6r h SER 139 N 0.52 0.85 -0.90 0.00 0.87 -0.48 -0.07 113.55 114.34 3f6r h SER 139 Ca 0.08 -0.53 0.08 0.00 -1.23 0.00 0.00 61.79 60.19 3f6r h SER 139 Cb 0.69 -0.24 -0.07 0.00 -0.44 0.00 0.00 62.40 62.33 3f6r h SER 139 CO 0.05 1.22 0.55 0.15 -0.53 0.00 0.00 176.83 178.28 3f6r h PHE 140 N 0.51 1.02 -0.19 2.24 3.57 -1.40 -0.78 116.94 121.91 3f6r h PHE 140 Ca 0.02 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.41 3f6r h PHE 140 Cb 1.06 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 39.47 3f6r h PHE 140 CO 0.08 0.47 -0.48 0.00 -2.23 0.00 0.00 178.31 176.16 3f6r h ALA 141 N 1.45 0.82 0.05 2.41 0.00 -0.92 -1.54 119.26 121.53 3f6r h ALA 141 Ca 0.41 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3f6r h ALA 141 Cb 0.27 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 3f6r h ALA 141 CO -0.21 0.66 -0.03 0.93 0.00 0.00 0.00 179.25 180.61 3f6r h GLU 142 N 0.40 -0.07 -0.43 0.00 5.08 -0.65 -1.02 114.58 117.89 3f6r h GLU 142 Ca 0.02 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.44 3f6r h GLU 142 Cb 0.98 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 30.20 3f6r h GLU 142 CO 0.09 -0.05 0.15 -0.44 -1.00 0.00 0.00 179.01 177.76 3f6r h ASP 143 N -0.07 0.16 0.56 1.42 5.19 -0.89 -2.00 116.42 120.79 3f6r h ASP 143 Ca -0.01 0.05 -0.03 0.00 -0.62 0.00 0.00 57.03 56.43 3f6r h ASP 143 Cb 0.06 0.03 0.01 0.00 0.18 0.00 0.00 39.33 39.61 3f6r h ASP 143 CO 0.01 0.13 -0.27 0.58 -3.12 0.00 0.00 179.24 176.56 3f6r h VAL 144 N 0.32 0.38 -0.80 -1.35 2.07 -1.22 -3.14 116.25 112.51 3f6r h VAL 144 Ca 0.20 -0.25 0.19 0.00 0.82 0.00 0.00 66.70 67.67 3f6r h VAL 144 Cb 0.19 0.48 -0.14 0.00 -1.52 0.00 0.00 31.29 30.30 3f6r h VAL 144 CO -0.21 0.04 0.07 -0.07 0.02 0.00 0.00 177.57 177.42 3f6r h LEU 145 N -0.92 -0.25 -1.95 2.57 3.38 -1.09 0.61 115.31 117.65 3f6r h LEU 145 Ca -0.08 0.20 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 3f6r h LEU 145 Cb 0.63 0.33 -0.00 0.00 0.09 0.00 0.00 40.66 41.71 3f6r h LEU 145 CO 0.13 -0.17 -0.11 0.11 0.09 0.00 0.00 178.44 178.48 3f6r h LYS 146 N 0.13 0.00 -0.02 1.13 1.79 -1.34 -1.93 116.57 116.34 3f6r h LYS 146 Ca 0.46 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.93 3f6r h LYS 146 Cb 0.84 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.49 3f6r h LYS 146 CO -0.67 0.11 -0.01 1.04 -1.08 0.00 0.00 179.45 178.84 3f6r n GLN 147 N -3.75 1.67 0.00 3.15 1.13 0.19 -5.12 117.38 114.64 3f6r n GLN 147 Ca -0.02 -1.00 0.15 0.00 -1.94 0.00 0.00 57.00 54.19 3f6r n GLN 147 Cb 0.22 -1.48 0.74 0.00 0.11 0.00 0.00 30.24 29.83 3f6r n GLN 147 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90