#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 3.14 -0.01 1.43 1.02 -1.26 -1.14 119.74 122.92 3f6s s LYS 3 Ca 0.00 -0.87 -0.01 0.00 0.02 0.00 0.00 55.97 55.11 3f6s s LYS 3 Cb 0.00 -3.73 -0.04 0.00 -0.52 0.00 0.00 37.83 33.55 3f6s s LYS 3 CO 0.00 -0.57 0.11 0.08 -0.92 0.00 0.00 175.35 174.05 3f6s s VAL 4 N 1.62 4.94 -0.10 3.17 1.01 -0.27 -0.39 120.40 130.38 3f6s s VAL 4 Ca 0.04 -0.32 0.02 0.00 0.00 0.00 0.00 61.98 61.72 3f6s s VAL 4 Cb -0.18 -3.27 -0.01 0.00 0.00 0.00 0.00 36.38 32.91 3f6s s VAL 4 CO 0.08 0.35 -0.17 -0.22 0.00 0.00 0.00 175.10 175.13 3f6s s LEU 5 N -1.77 2.48 -0.20 3.92 2.96 0.15 -1.01 118.68 125.21 3f6s s LEU 5 Ca 0.24 -0.39 0.00 0.00 -0.22 0.00 0.00 54.13 53.76 3f6s s LEU 5 Cb -0.12 -1.52 0.02 0.00 0.50 0.00 0.00 46.19 45.06 3f6s s LEU 5 CO 0.15 0.19 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.58 3f6s s ILE 6 N 0.16 2.33 -0.10 6.68 1.01 -0.53 -0.56 121.20 130.20 3f6s s ILE 6 Ca -0.10 -0.92 0.02 0.00 0.00 0.00 0.00 60.65 59.65 3f6s s ILE 6 Cb -0.16 -2.03 -0.02 0.00 0.01 0.00 0.00 42.46 40.27 3f6s s ILE 6 CO 0.06 0.46 -0.16 -0.69 0.00 0.00 0.00 174.94 174.60 3f6s s VAL 7 N 1.31 2.79 0.07 2.92 1.01 -0.39 0.21 120.40 128.33 3f6s s VAL 7 Ca 0.04 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.26 3f6s s VAL 7 Cb -0.14 -2.12 -0.03 0.00 0.00 0.00 0.00 36.38 34.09 3f6s s VAL 7 CO -0.10 0.55 -0.08 0.72 0.00 0.00 0.00 175.10 176.19 3f6s s PHE 8 N -0.00 0.83 -0.06 5.22 -0.12 -0.93 -0.65 117.98 122.26 3f6s s PHE 8 Ca -0.05 -0.68 0.06 0.00 -0.05 0.00 0.00 56.93 56.20 3f6s s PHE 8 Cb -0.14 -0.48 -0.01 0.00 -0.63 0.00 0.00 43.02 41.76 3f6s s PHE 8 CO 0.04 -0.09 -0.23 0.20 -0.05 0.00 0.00 175.22 175.09 3f6s s GLY 9 N -2.27 1.23 -0.23 1.99 0.00 0.09 -0.02 107.32 108.10 3f6s s GLY 9 Ca 0.01 -0.97 -0.11 0.00 0.00 0.00 0.00 44.72 43.65 3f6s s GLY 9 CO -0.02 -0.55 0.54 -0.45 0.00 0.00 0.00 173.10 172.62 3f6s s SER 10 N -0.06 -0.70 -0.10 1.64 0.15 -1.26 -3.62 113.70 109.74 3f6s s SER 10 Ca -0.06 1.23 0.13 0.00 0.70 0.00 0.00 55.95 57.95 3f6s s SER 10 Cb -0.14 1.40 -0.24 0.00 -1.71 0.00 0.00 66.02 65.33 3f6s s SER 10 CO 0.04 -0.22 0.43 -1.20 1.20 0.00 0.00 173.24 173.49 3f6s n SER 11 N 4.80 0.70 0.00 5.45 7.64 -1.26 -4.59 113.62 126.36 3f6s n SER 11 Ca -0.16 0.26 0.00 0.00 1.01 0.00 0.00 58.87 59.97 3f6s n SER 11 Cb 0.54 0.22 0.00 0.00 -1.01 0.00 0.00 64.21 63.95 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 -2.98 0.09 -0.02 0.44 -2.24 -1.26 -5.03 114.28 103.27 3f6s n THR 12 Ca -0.24 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.10 3f6s n THR 12 Cb 1.08 1.13 0.00 0.00 -2.10 0.00 0.00 70.33 70.45 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 -0.04 0.86 0.13 3.38 0.00 -1.26 -5.00 105.19 103.26 3f6s n GLY 13 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 0.47 -0.03 1.61 2.35 -1.95 -2.06 115.58 115.98 3f6s h ASN 14 Ca 0.00 -0.90 -0.13 0.00 -0.55 0.00 0.00 56.30 54.72 3f6s h ASN 14 Cb 0.00 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.21 3f6s h ASN 14 CO 0.00 1.74 -0.41 0.74 -1.65 0.00 0.00 177.43 177.84 3f6s h THR 15 N -0.08 1.30 -0.50 2.81 2.02 -1.85 -2.22 112.91 114.38 3f6s h THR 15 Ca -0.35 -1.58 -0.04 0.00 0.77 0.00 0.00 66.41 65.21 3f6s h THR 15 Cb 1.94 1.57 -0.02 0.00 -1.74 0.00 0.00 68.15 69.90 3f6s h THR 15 CO 0.10 0.50 0.14 -0.08 0.37 0.00 0.00 175.52 176.55 3f6s h GLU 16 N 0.46 0.78 -0.27 6.66 4.81 -1.85 0.14 114.58 125.31 3f6s h GLU 16 Ca 0.04 -0.18 0.04 0.00 -0.13 0.00 0.00 59.36 59.13 3f6s h GLU 16 Cb 0.91 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 30.15 3f6s h GLU 16 CO 0.08 0.74 0.04 1.03 -0.73 0.00 0.00 179.01 180.17 3f6s h SER 17 N 0.68 -0.02 -0.17 1.04 0.87 -1.20 0.13 113.55 114.87 3f6s h SER 17 Ca 0.16 0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.76 3f6s h SER 17 Cb 0.30 0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.32 3f6s h SER 17 CO -0.00 0.02 0.07 0.40 -0.53 0.00 0.00 176.83 176.79 3f6s h ILE 18 N 0.14 1.15 -0.59 2.23 2.04 -1.29 -1.06 117.51 120.13 3f6s h ILE 18 Ca 0.13 -0.44 0.11 0.00 1.00 0.00 0.00 64.86 65.66 3f6s h ILE 18 Cb 0.14 1.13 -0.09 0.00 -0.74 0.00 0.00 36.82 37.26 3f6s h ILE 18 CO -0.18 0.14 0.09 0.00 0.00 0.00 0.00 178.15 178.20 3f6s h ALA 19 N 0.92 0.66 -0.57 1.87 0.00 -0.27 0.33 119.26 122.20 3f6s h ALA 19 Ca 0.06 0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.12 3f6s h ALA 19 Cb 0.16 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3f6s h ALA 19 CO -0.01 -0.34 0.37 1.96 0.00 0.00 0.00 179.25 181.24 3f6s h GLN 20 N 0.21 0.72 -0.52 0.00 4.20 -0.53 -0.14 115.11 119.06 3f6s h GLN 20 Ca 0.31 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.97 3f6s h GLN 20 Cb 0.47 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 3f6s h GLN 20 CO -0.43 0.48 0.30 -0.22 -0.67 0.00 0.00 178.83 178.29 3f6s h LYS 21 N 0.75 0.71 -0.69 1.46 1.63 0.32 -0.43 116.57 120.32 3f6s h LYS 21 Ca 0.21 -0.07 -0.00 0.00 -0.85 0.00 0.00 60.65 59.94 3f6s h LYS 21 Cb -0.06 -0.14 -0.03 0.00 -0.60 0.00 0.00 32.23 31.39 3f6s h LYS 21 CO -0.06 0.53 0.41 -0.07 -3.45 0.00 0.00 179.45 176.82 3f6s h LEU 22 N 0.69 0.83 -0.58 5.20 3.38 -0.18 -1.52 115.31 123.12 3f6s h LEU 22 Ca 0.18 -0.06 0.05 0.00 0.09 0.00 0.00 57.88 58.14 3f6s h LEU 22 Cb 0.01 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.51 3f6s h LEU 22 CO -0.03 0.64 0.32 -0.08 0.09 0.00 0.00 178.44 179.38 3f6s h GLU 23 N 0.94 0.59 0.54 1.13 4.81 -0.46 0.52 114.58 122.64 3f6s h GLU 23 Ca 0.25 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.42 3f6s h GLU 23 Cb -0.03 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.20 3f6s h GLU 23 CO -0.05 0.39 -0.49 1.49 -0.73 0.00 0.00 179.01 179.63 3f6s h GLU 24 N 0.61 -0.98 -0.96 1.92 4.81 -0.60 -1.19 114.58 118.20 3f6s h GLU 24 Ca 0.26 0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.55 3f6s h GLU 24 Cb 0.13 0.22 -0.05 0.00 0.63 0.00 0.00 28.75 29.69 3f6s h GLU 24 CO -0.16 -0.65 0.60 -0.07 -0.73 0.00 0.00 179.01 178.00 3f6s h LEU 25 N -1.01 1.14 -0.57 1.64 3.38 -1.05 -0.00 115.31 118.83 3f6s h LEU 25 Ca -0.07 -0.06 -0.15 0.00 0.09 0.00 0.00 57.88 57.69 3f6s h LEU 25 Cb 0.86 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 3f6s h LEU 25 CO -0.03 0.86 -0.47 0.40 0.09 0.00 0.00 178.44 179.29 3f6s h ILE 26 N 1.32 1.31 -0.50 1.22 2.04 -0.88 -2.18 117.51 119.83 3f6s h ILE 26 Ca 0.35 -1.67 -0.06 0.00 1.00 0.00 0.00 64.86 64.48 3f6s h ILE 26 Cb -0.08 1.63 -0.02 0.00 -0.74 0.00 0.00 36.82 37.61 3f6s h ILE 26 CO -0.07 0.53 0.07 0.00 0.00 0.00 0.00 178.15 178.68 3f6s h ALA 27 N 1.00 1.19 0.00 1.87 0.00 -0.55 -0.58 119.26 122.19 3f6s h ALA 27 Ca 0.03 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 3f6s h ALA 27 Cb 1.00 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 3f6s h ALA 27 CO 0.09 0.54 -0.08 0.00 0.00 0.00 0.00 179.25 179.80 3f6s h ALA 28 N 1.33 1.49 0.00 0.00 0.00 -0.64 -0.31 119.26 121.13 3f6s h ALA 28 Ca 0.16 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3f6s h ALA 28 Cb 0.35 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3f6s h ALA 28 CO 0.01 0.10 0.00 0.41 0.00 0.00 0.00 179.25 179.77 3f6s n GLY 29 N -1.03 -0.77 1.44 0.00 0.00 -0.23 -4.86 105.19 99.74 3f6s n GLY 29 Ca -0.02 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.90 3f6s n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f6s n GLY 30 N 0.22 0.59 3.69 -0.02 0.00 -0.13 -5.02 105.19 104.53 3f6s n GLY 30 Ca 0.11 -0.47 -0.34 0.00 0.00 0.00 0.00 46.02 45.32 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 3.16 -0.46 1.61 4.02 -1.18 -4.54 115.29 115.90 3f6s s HIS 31 Ca 0.00 0.17 -0.26 0.00 1.02 0.00 0.00 55.06 55.99 3f6s s HIS 31 Cb 0.00 -1.76 0.03 0.00 -1.02 0.00 0.00 32.58 29.83 3f6s s HIS 31 CO 0.00 0.48 0.99 -1.21 1.02 0.00 0.00 174.74 176.02 3f6s s GLU 32 N -1.13 3.59 0.24 1.40 2.02 -0.30 -4.06 118.70 120.47 3f6s s GLU 32 Ca 0.16 0.28 0.06 0.00 0.02 0.00 0.00 54.97 55.49 3f6s s GLU 32 Cb -0.11 -3.92 -0.03 0.00 0.10 0.00 0.00 34.13 30.16 3f6s s GLU 32 CO 0.05 -1.26 0.27 0.14 0.02 0.00 0.00 175.26 174.48 3f6s s VAL 33 N 3.95 4.85 -0.24 2.63 -7.23 -1.26 -1.11 120.40 121.99 3f6s s VAL 33 Ca 0.40 -1.18 -0.02 0.00 -1.81 0.00 0.00 61.98 59.38 3f6s s VAL 33 Cb -0.09 -3.62 0.07 0.00 0.56 0.00 0.00 36.38 33.30 3f6s s VAL 33 CO 0.28 -0.33 0.04 -0.89 -0.31 0.00 0.00 175.10 173.90 3f6s s THR 34 N -2.04 0.78 -0.35 5.32 2.01 -0.18 -4.93 115.64 116.26 3f6s s THR 34 Ca 0.33 -0.94 -0.17 0.00 0.31 0.00 0.00 61.69 61.23 3f6s s THR 34 Cb -0.09 -1.35 -0.01 0.00 0.01 0.00 0.00 72.50 71.06 3f6s s THR 34 CO 0.27 -0.36 0.44 -0.22 -0.69 0.00 0.00 174.62 174.06 3f6s s LEU 35 N 1.71 4.40 -0.09 4.42 2.96 -1.26 -1.45 118.68 129.38 3f6s s LEU 35 Ca 0.02 -0.14 -0.00 0.00 -0.22 0.00 0.00 54.13 53.79 3f6s s LEU 35 Cb -0.17 -2.46 0.02 0.00 0.50 0.00 0.00 46.19 44.08 3f6s s LEU 35 CO -0.14 -0.41 -0.05 -0.22 -1.32 0.00 0.00 176.35 174.21 3f6s s LEU 36 N 2.20 1.00 0.12 -0.68 0.20 0.13 -4.99 118.68 116.66 3f6s s LEU 36 Ca 0.15 -0.21 -0.31 0.00 0.69 0.00 0.00 54.13 54.45 3f6s s LEU 36 Cb -0.16 -0.67 -0.10 0.00 -0.43 0.00 0.00 46.19 44.84 3f6s s LEU 36 CO 0.12 -0.13 1.71 0.21 -0.29 0.00 0.00 176.35 177.98 3f6s s ASN 37 N 1.69 6.51 0.44 3.68 3.84 -1.26 -2.20 114.94 127.64 3f6s s ASN 37 Ca 0.03 2.64 0.27 0.00 0.21 0.00 0.00 52.86 56.01 3f6s s ASN 37 Cb -0.13 -2.57 1.31 0.00 -0.55 0.00 0.00 41.25 39.31 3f6s s ASN 37 CO -0.06 -0.93 1.72 0.00 -2.79 0.00 0.00 177.10 175.04 3f6s h ALA 38 N 8.08 2.62 -0.63 1.71 0.00 -0.77 0.83 119.26 131.09 3f6s h ALA 38 Ca -0.44 0.05 0.08 0.00 0.00 0.00 0.00 54.91 54.60 3f6s h ALA 38 Cb 1.21 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 19.06 3f6s h ALA 38 CO 0.94 -1.09 0.42 0.00 0.00 0.00 0.00 179.25 179.51 3f6s h ALA 39 N 1.55 1.85 -0.49 0.00 0.00 -1.79 0.14 119.26 120.52 3f6s h ALA 39 Ca 0.68 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.56 3f6s h ALA 39 Cb 2.08 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.72 3f6s h ALA 39 CO -0.27 0.03 0.02 -0.25 0.00 0.00 0.00 179.25 178.78 3f6s n ASP 40 N -4.48 4.92 -4.84 0.00 8.00 0.28 -4.94 116.55 115.49 3f6s n ASP 40 Ca 0.10 -2.80 -0.37 0.00 0.71 0.00 0.00 54.79 52.43 3f6s n ASP 40 Cb 0.28 -0.66 -0.06 0.00 -0.02 0.00 0.00 41.12 40.66 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 -2.48 3.81 -0.23 2.24 0.00 0.48 -4.91 121.76 120.66 3f6s s ALA 41 Ca 0.46 -0.57 -0.05 0.00 0.00 0.00 0.00 51.96 51.80 3f6s s ALA 41 Cb 0.35 -2.09 -0.01 0.00 0.00 0.00 0.00 23.12 21.36 3f6s s ALA 41 CO 0.13 0.50 -0.00 -1.12 0.00 0.00 0.00 175.76 175.27 3f6s s SER 42 N -0.75 4.60 0.29 0.00 0.01 -1.26 -5.02 113.70 111.57 3f6s s SER 42 Ca 0.16 -0.36 0.03 0.00 1.31 0.00 0.00 55.95 57.09 3f6s s SER 42 Cb -0.13 -1.80 0.65 0.00 0.21 0.00 0.00 66.02 64.95 3f6s s SER 42 CO 0.05 -0.04 1.79 0.00 0.41 0.00 0.00 173.24 175.45 3f6s h ALA 43 N 8.16 1.56 -2.02 1.44 0.00 -1.92 -3.37 119.26 123.10 3f6s h ALA 43 Ca -0.40 0.07 -0.58 0.00 0.00 0.00 0.00 54.91 53.99 3f6s h ALA 43 Cb 1.16 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.86 3f6s h ALA 43 CO 0.60 0.01 1.34 -1.91 0.00 0.00 0.00 179.25 179.29 3f6s n GLU 44 N -4.75 2.20 -3.45 0.00 4.07 -1.26 -3.08 120.64 114.38 3f6s n GLU 44 Ca 0.21 0.72 -0.24 0.00 -0.06 0.00 0.00 57.16 57.79 3f6s n GLU 44 Cb 0.49 -2.99 -0.01 0.00 -0.06 0.00 0.00 31.44 28.87 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 9.35 -3.60 -0.24 4.31 3.02 -0.12 -4.85 115.26 123.13 3f6s n ASN 45 Ca 0.27 -0.45 0.02 0.00 -0.03 0.00 0.00 54.58 54.39 3f6s n ASN 45 Cb 0.39 -2.98 0.26 0.00 -0.61 0.00 0.00 39.78 36.83 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 -1.01 0.85 0.00 3.41 5.85 -1.44 -2.72 115.31 120.26 3f6s h LEU 46 Ca -0.44 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.27 3f6s h LEU 46 Cb 1.29 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.12 3f6s h LEU 46 CO 0.55 0.60 -0.18 0.00 -0.34 0.00 0.00 178.44 179.07 3f6s h ALA 47 N 1.53 0.90 -1.98 1.25 0.00 -1.77 -3.47 119.26 115.72 3f6s h ALA 47 Ca 0.31 0.00 -0.63 0.00 0.00 0.00 0.00 54.91 54.59 3f6s h ALA 47 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 17.79 17.82 3f6s h ALA 47 CO -0.09 0.00 1.00 -0.25 0.00 0.00 0.00 179.25 179.91 3f6s n ASP 48 N -2.54 3.16 0.00 0.00 9.92 -1.03 -0.93 116.55 125.13 3f6s n ASP 48 Ca 0.04 1.01 0.00 0.00 -0.53 0.00 0.00 54.79 55.31 3f6s n ASP 48 Cb 0.47 -1.34 0.00 0.00 -0.64 0.00 0.00 41.12 39.62 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 4.14 3.08 3.84 0.44 0.00 -1.26 -5.08 105.19 110.36 3f6s n GLY 49 Ca 0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.72 3.63 -0.63 1.61 1.51 -0.11 -4.77 117.35 115.88 3f6s s TYR 50 Ca 0.00 0.72 0.25 0.00 -1.01 0.00 0.00 57.07 57.03 3f6s s TYR 50 Cb 0.00 -2.13 0.61 0.00 -0.11 0.00 0.00 41.96 40.33 3f6s s TYR 50 CO 0.00 0.64 1.67 -0.44 -1.11 0.00 0.00 175.55 176.31 3f6s h ASP 51 N 5.07 0.00 -3.71 2.29 3.32 -1.03 -3.46 116.42 118.91 3f6s h ASP 51 Ca -0.52 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 56.48 3f6s h ASP 51 Cb 1.22 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.55 3f6s h ASP 51 CO 0.62 0.01 0.05 0.00 -1.72 0.00 0.00 179.24 178.20 3f6s s ALA 52 N -3.15 -1.71 -0.08 3.45 0.00 -1.23 -3.82 121.76 115.23 3f6s s ALA 52 Ca 0.09 2.03 0.04 0.00 0.00 0.00 0.00 51.96 54.13 3f6s s ALA 52 Cb 0.10 -1.19 -0.01 0.00 0.00 0.00 0.00 23.12 22.03 3f6s s ALA 52 CO 0.63 -0.33 -0.22 0.08 0.00 0.00 0.00 175.76 175.92 3f6s s VAL 53 N 0.72 2.25 -0.17 0.00 1.01 -0.51 -0.67 120.40 123.04 3f6s s VAL 53 Ca -0.03 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 60.98 3f6s s VAL 53 Cb -0.05 -1.85 0.02 0.00 0.00 0.00 0.00 36.38 34.50 3f6s s VAL 53 CO -0.05 0.56 -0.18 -0.76 0.00 0.00 0.00 175.10 174.67 3f6s s LEU 54 N 0.04 1.98 -0.18 3.92 1.43 0.28 -2.47 118.68 123.68 3f6s s LEU 54 Ca -0.09 -0.59 -0.06 0.00 -1.03 0.00 0.00 54.13 52.36 3f6s s LEU 54 Cb -0.15 -1.38 -0.03 0.00 0.03 0.00 0.00 46.19 44.66 3f6s s LEU 54 CO 0.06 -0.01 0.02 -0.36 0.23 0.00 0.00 176.35 176.28 3f6s s PHE 55 N 1.33 3.13 -0.06 0.29 0.40 -0.26 -1.26 117.98 121.55 3f6s s PHE 55 Ca 0.04 -0.16 0.04 0.00 -0.60 0.00 0.00 56.93 56.26 3f6s s PHE 55 Cb -0.13 -2.05 -0.02 0.00 0.51 0.00 0.00 43.02 41.33 3f6s s PHE 55 CO -0.12 0.00 -0.17 0.20 0.70 0.00 0.00 175.22 175.84 3f6s s GLY 56 N 0.53 1.46 -0.29 4.36 0.00 0.18 -0.90 107.32 112.65 3f6s s GLY 56 Ca 0.00 -1.00 -0.13 0.00 0.00 0.00 0.00 44.72 43.60 3f6s s GLY 56 CO 0.02 -0.70 0.73 0.00 0.00 0.00 0.00 173.10 173.15 3f6s s SER 58 N 2.37 6.31 0.04 0.00 1.04 -1.24 -4.47 113.70 117.75 3f6s s SER 58 Ca -0.07 0.90 0.05 0.00 0.48 0.00 0.00 55.95 57.31 3f6s s SER 58 Cb -0.09 -2.23 -0.04 0.00 0.10 0.00 0.00 66.02 63.77 3f6s s SER 58 CO -0.19 -0.51 -0.08 0.00 0.98 0.00 0.00 173.24 173.45 3f6s s ALA 59 N -2.62 3.00 -0.01 5.32 0.00 -1.26 -0.96 121.76 125.23 3f6s s ALA 59 Ca 0.47 -1.10 0.02 0.00 0.00 0.00 0.00 51.96 51.35 3f6s s ALA 59 Cb -0.10 -1.05 0.02 0.00 0.00 0.00 0.00 23.12 21.99 3f6s s ALA 59 CO 0.42 0.63 0.77 0.91 0.00 0.00 0.00 175.76 178.48 3f6s n TRP 60 N 1.25 0.00 -3.37 0.00 7.02 0.85 -4.92 117.44 118.26 3f6s n TRP 60 Ca -0.14 -0.15 -0.38 0.00 -1.02 0.00 0.00 57.50 55.80 3f6s n TRP 60 Cb 0.52 -0.03 -0.06 0.00 -2.42 0.00 0.00 31.31 29.31 3f6s n TRP 60 CO 0.00 0.00 0.00 0.20 -2.02 0.00 0.00 177.69 175.87 3f6s s GLY 61 N -0.67 2.28 -0.02 6.99 0.00 -1.24 -4.88 107.32 109.77 3f6s s GLY 61 Ca 0.03 -0.32 -0.17 0.00 0.00 0.00 0.00 44.72 44.25 3f6s s GLY 61 CO 0.00 0.73 0.73 1.98 0.00 0.00 0.00 173.10 176.54 3f6s h MET 62 N 6.88 -0.60 0.00 2.90 4.05 -1.97 -3.39 114.93 122.80 3f6s h MET 62 Ca -0.40 0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.07 3f6s h MET 62 Cb 1.17 0.14 0.00 0.00 -0.80 0.00 0.00 31.60 32.11 3f6s h MET 62 CO 0.75 -0.40 -0.05 0.93 0.23 0.00 0.00 176.91 178.37 3f6s h GLU 63 N -1.14 0.00 -7.09 0.39 5.08 -1.99 -3.40 114.58 106.42 3f6s h GLU 63 Ca -0.06 0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 57.82 3f6s h GLU 63 Cb 0.48 0.00 0.08 0.00 0.50 0.00 0.00 28.75 29.81 3f6s h GLU 63 CO 0.11 0.00 0.10 -0.51 -1.00 0.00 0.00 179.01 177.71 3f6s s ASP 64 N -5.57 4.25 -0.24 1.42 1.11 -1.26 -4.86 116.67 111.52 3f6s s ASP 64 Ca -0.01 -0.54 -0.26 0.00 0.18 0.00 0.00 52.55 51.92 3f6s s ASP 64 Cb 0.00 0.25 0.00 0.00 1.07 0.00 0.00 42.92 44.24 3f6s s ASP 64 CO 0.02 -1.95 0.91 -0.22 1.18 0.00 0.00 175.17 175.11 3f6s s LEU 65 N -5.15 4.09 -0.15 1.23 1.98 -1.26 -4.11 118.68 115.31 3f6s s LEU 65 Ca 0.68 1.16 -0.00 0.00 -2.89 0.00 0.00 54.13 53.07 3f6s s LEU 65 Cb -0.04 -3.32 0.04 0.00 0.66 0.00 0.00 46.19 43.53 3f6s s LEU 65 CO 0.45 -0.57 -0.06 -0.70 -1.89 0.00 0.00 176.35 173.58 3f6s s GLU 66 N 2.96 1.45 0.29 1.98 2.12 -1.26 -4.88 118.70 121.36 3f6s s GLU 66 Ca 0.38 -0.43 -0.28 0.00 0.36 0.00 0.00 54.97 55.00 3f6s s GLU 66 Cb -0.15 -1.87 -0.09 0.00 0.26 0.00 0.00 34.13 32.28 3f6s s GLU 66 CO 0.07 -0.38 0.98 -1.64 -0.54 0.00 0.00 175.26 173.74 3f6s s MET 67 N 1.66 4.66 -0.20 4.30 -1.94 -1.26 -0.11 119.30 126.42 3f6s s MET 67 Ca 0.02 1.48 -0.42 0.00 -1.71 0.00 0.00 55.69 55.07 3f6s s MET 67 Cb -0.14 -3.03 -0.19 0.00 2.01 0.00 0.00 34.83 33.48 3f6s s MET 67 CO -0.08 0.33 1.41 0.94 -0.01 0.00 0.00 175.02 177.60 3f6s n GLN 68 N 0.97 0.40 -0.30 2.03 0.00 -0.13 -4.60 117.38 115.75 3f6s n GLN 68 Ca 0.00 0.14 0.12 0.00 -0.00 0.00 0.00 57.00 57.27 3f6s n GLN 68 Cb 0.48 -1.70 0.29 0.00 0.00 0.00 0.00 30.24 29.31 3f6s n GLN 68 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.06 177.28 3f6s h ASP 69 N 4.65 0.24 -0.28 1.69 1.82 -1.92 -0.87 116.42 121.75 3f6s h ASP 69 Ca -0.47 0.16 -0.00 0.00 -0.39 0.00 0.00 57.03 56.32 3f6s h ASP 69 Cb 1.38 0.16 -0.01 0.00 0.68 0.00 0.00 39.33 41.53 3f6s h ASP 69 CO 0.83 -0.03 0.16 0.44 -1.61 0.00 0.00 179.24 179.04 3f6s h ASP 70 N 0.36 0.34 -0.07 2.28 3.32 -1.97 -2.83 116.42 117.85 3f6s h ASP 70 Ca 0.54 -0.07 -0.13 0.00 0.02 0.00 0.00 57.03 57.39 3f6s h ASP 70 Cb 1.03 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.48 3f6s h ASP 70 CO -0.54 0.31 -0.39 0.15 -1.72 0.00 0.00 179.24 177.05 3f6s h PHE 71 N 0.35 0.70 -0.40 4.55 3.57 -1.50 -3.28 116.94 120.92 3f6s h PHE 71 Ca 0.10 -0.20 0.08 0.00 3.53 0.00 0.00 57.97 61.48 3f6s h PHE 71 Cb 0.04 -0.15 -0.08 0.00 2.79 0.00 0.00 35.95 38.55 3f6s h PHE 71 CO -0.04 0.89 -0.11 1.25 -2.23 0.00 0.00 178.31 178.07 3f6s h LEU 72 N 0.49 -0.41 -1.72 0.59 5.85 -1.02 0.60 115.31 119.69 3f6s h LEU 72 Ca 0.04 0.13 0.09 0.00 0.84 0.00 0.00 57.88 58.98 3f6s h LEU 72 Cb 0.89 0.26 -0.03 0.00 0.37 0.00 0.00 40.66 42.15 3f6s h LEU 72 CO 0.08 -0.15 0.36 0.28 -0.34 0.00 0.00 178.44 178.67 3f6s h SER 73 N -0.02 0.29 0.50 1.25 0.02 -1.59 -0.08 113.55 113.92 3f6s h SER 73 Ca 0.19 0.01 -0.28 0.00 -0.84 0.00 0.00 61.79 60.87 3f6s h SER 73 Cb 0.31 -0.06 0.01 0.00 0.14 0.00 0.00 62.40 62.81 3f6s h SER 73 CO -0.42 0.18 -1.25 0.25 -1.14 0.00 0.00 176.83 174.45 3f6s h LEU 74 N 0.32 0.55 -1.42 5.07 5.85 -0.86 -3.26 115.31 121.56 3f6s h LEU 74 Ca 0.24 -0.56 -0.04 0.00 0.84 0.00 0.00 57.88 58.36 3f6s h LEU 74 Cb 0.52 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 3f6s h LEU 74 CO -0.06 1.42 -0.09 0.15 -0.34 0.00 0.00 178.44 179.52 3f6s h PHE 75 N 0.12 0.28 0.00 1.25 3.57 0.90 -2.19 116.94 120.86 3f6s h PHE 75 Ca -0.15 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.31 3f6s h PHE 75 Cb 1.95 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 40.61 3f6s h PHE 75 CO 0.08 0.37 -0.03 0.93 -2.23 0.00 0.00 178.31 177.43 3f6s h GLU 76 N 0.26 0.00 -0.17 1.11 5.08 -1.08 -2.84 114.58 116.94 3f6s h GLU 76 Ca 0.05 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.32 3f6s h GLU 76 Cb 0.33 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.52 3f6s h GLU 76 CO 0.02 0.03 -0.37 0.39 -1.00 0.00 0.00 179.01 178.08 3f6s n GLU 77 N -3.18 1.79 -0.00 2.33 1.02 -0.84 -4.73 120.64 117.02 3f6s n GLU 77 Ca -0.01 -3.32 0.17 0.00 -0.02 0.00 0.00 57.16 53.98 3f6s n GLU 77 Cb 0.23 -1.73 0.63 0.00 -0.02 0.00 0.00 31.44 30.55 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 1.07 0.13 0.00 -0.32 -1.00 -1.30 -1.23 116.94 114.29 3f6s h PHE 78 Ca 0.10 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.88 3f6s h PHE 78 Cb 1.25 -0.04 0.00 0.00 3.61 0.00 0.00 35.95 40.77 3f6s h PHE 78 CO 0.87 0.06 0.00 0.38 -1.61 0.00 0.00 178.31 178.00 3f6s h ASP 79 N 0.11 0.00 -0.03 2.17 2.03 -1.86 -2.98 116.42 115.86 3f6s h ASP 79 Ca 0.24 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.54 3f6s h ASP 79 Cb 0.80 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.30 3f6s h ASP 79 CO -0.03 0.00 -0.10 0.54 -1.03 0.00 0.00 179.24 178.62 3f6s n ARG 80 N -2.52 1.95 0.08 4.15 1.74 -0.46 -4.50 116.66 117.09 3f6s n ARG 80 Ca 0.01 -1.65 -0.22 0.00 -0.77 0.00 0.00 57.85 55.23 3f6s n ARG 80 Cb 0.21 -1.43 -0.14 0.00 -1.02 0.00 0.00 32.46 30.08 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 3.95 1.37 0.00 0.55 2.04 -1.45 -0.31 117.51 123.67 3f6s h ILE 81 Ca 0.00 -2.48 0.00 0.00 1.00 0.00 0.00 64.86 63.38 3f6s h ILE 81 Cb 0.89 2.92 0.00 0.00 -0.74 0.00 0.00 36.82 39.89 3f6s h ILE 81 CO 0.00 0.73 0.00 0.61 0.00 0.00 0.00 178.15 179.49 3f6s n GLY 82 N 1.50 0.78 0.04 5.37 0.00 -1.26 -2.44 105.19 109.17 3f6s n GLY 82 Ca -0.14 -0.58 0.11 0.00 0.00 0.00 0.00 46.02 45.41 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 0.00 0.59 -4.64 0.99 4.77 -1.26 -4.72 117.00 112.72 3f6s n LEU 83 Ca 0.00 -0.01 -0.52 0.00 -0.03 0.00 0.00 56.01 55.45 3f6s n LEU 83 Cb 0.00 -0.08 -0.06 0.00 -2.33 0.00 0.00 43.42 40.95 3f6s n LEU 83 CO 0.00 0.03 1.50 0.00 -1.33 0.00 0.00 177.39 177.59 3f6s n ALA 84 N -1.88 0.53 -0.35 -1.18 0.00 -1.16 -0.80 120.51 115.67 3f6s n ALA 84 Ca 0.01 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.69 3f6s n ALA 84 Cb 0.45 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.49 3f6s n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3f6s n GLY 85 N 4.82 1.80 3.91 0.00 0.00 0.33 -4.94 105.19 111.10 3f6s n GLY 85 Ca 0.28 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.18 3.61 0.40 1.61 0.52 0.02 -4.79 118.95 120.13 3f6s s ARG 86 Ca 0.00 -0.06 -0.15 0.00 -0.52 0.00 0.00 55.73 55.00 3f6s s ARG 86 Cb 0.00 -2.67 -0.08 0.00 0.52 0.00 0.00 34.95 32.72 3f6s s ARG 86 CO 0.00 0.23 0.83 0.15 0.02 0.00 0.00 175.30 176.53 3f6s s LYS 87 N -3.57 3.97 0.08 3.54 1.02 -1.25 -0.97 119.74 122.55 3f6s s LYS 87 Ca 0.43 0.75 -0.13 0.00 0.02 0.00 0.00 55.97 57.04 3f6s s LYS 87 Cb -0.11 -2.32 0.02 0.00 -0.52 0.00 0.00 37.83 34.90 3f6s s LYS 87 CO 0.30 -0.00 0.29 0.08 -0.92 0.00 0.00 175.35 175.10 3f6s s VAL 88 N -2.24 0.10 -0.28 3.17 1.01 -0.62 -1.42 120.40 120.12 3f6s s VAL 88 Ca 0.56 -0.81 -0.19 0.00 0.00 0.00 0.00 61.98 61.54 3f6s s VAL 88 Cb -0.10 -1.12 0.12 0.00 0.00 0.00 0.00 36.38 35.29 3f6s s VAL 88 CO 0.23 -0.44 0.91 0.00 0.00 0.00 0.00 175.10 175.79 3f6s s ALA 89 N -3.26 -2.09 -0.13 5.51 0.00 -1.03 -1.89 121.76 118.87 3f6s s ALA 89 Ca -0.00 2.17 -0.02 0.00 0.00 0.00 0.00 51.96 54.12 3f6s s ALA 89 Cb 0.02 -1.55 -0.02 0.00 0.00 0.00 0.00 23.12 21.56 3f6s s ALA 89 CO -0.08 -0.33 -0.07 0.00 0.00 0.00 0.00 175.76 175.28 3f6s s ALA 90 N 1.10 2.90 0.24 0.00 0.00 -1.26 -1.11 121.76 123.64 3f6s s ALA 90 Ca -0.06 -0.85 0.07 0.00 0.00 0.00 0.00 51.96 51.12 3f6s s ALA 90 Cb -0.04 -1.39 -0.05 0.00 0.00 0.00 0.00 23.12 21.63 3f6s s ALA 90 CO -0.13 0.31 -0.09 -0.59 0.00 0.00 0.00 175.76 175.26 3f6s s PHE 91 N 0.09 1.82 -0.06 0.00 -0.71 -0.08 -1.50 117.98 117.54 3f6s s PHE 91 Ca -0.02 -0.66 -0.29 0.00 -1.04 0.00 0.00 56.93 54.91 3f6s s PHE 91 Cb -0.14 -0.96 0.10 0.00 -1.21 0.00 0.00 43.02 40.81 3f6s s PHE 91 CO 0.03 0.29 0.87 0.00 -1.34 0.00 0.00 175.22 175.07 3f6s s ALA 92 N -3.02 -1.84 0.03 1.99 0.00 -0.03 -2.20 121.76 116.69 3f6s s ALA 92 Ca 0.26 1.24 0.01 0.00 0.00 0.00 0.00 51.96 53.47 3f6s s ALA 92 Cb 0.02 -0.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.06 3f6s s ALA 92 CO 0.10 -0.50 0.10 0.45 0.00 0.00 0.00 175.76 175.91 3f6s s SER 93 N -1.77 5.76 0.20 0.00 0.15 -1.26 -2.83 113.70 113.96 3f6s s SER 93 Ca -0.01 0.13 -0.14 0.00 0.70 0.00 0.00 55.95 56.63 3f6s s SER 93 Cb -0.01 -1.65 0.05 0.00 -1.71 0.00 0.00 66.02 62.70 3f6s s SER 93 CO -0.02 0.23 0.67 0.61 1.20 0.00 0.00 173.24 175.93 3f6s n GLY 94 N 0.83 1.00 2.98 9.45 0.00 -0.28 -4.26 105.19 114.91 3f6s n GLY 94 Ca -0.10 -1.13 -0.26 0.00 0.00 0.00 0.00 46.02 44.53 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 -2.66 1.94 0.14 1.61 -1.08 -1.26 -4.12 116.67 111.24 3f6s s ASP 95 Ca 0.14 -0.31 0.17 0.00 -0.52 0.00 0.00 52.55 52.04 3f6s s ASP 95 Cb -0.03 -0.84 0.75 0.00 -1.46 0.00 0.00 42.92 41.35 3f6s s ASP 95 CO 0.06 -0.02 1.53 0.00 0.52 0.00 0.00 175.17 177.26 3f6s n GLN 96 N 4.24 0.09 -0.37 4.34 6.02 -1.26 -1.56 117.38 128.89 3f6s n GLN 96 Ca -0.19 0.39 -0.01 0.00 -0.01 0.00 0.00 57.00 57.19 3f6s n GLN 96 Cb 0.51 -1.70 0.13 0.00 1.02 0.00 0.00 30.24 30.20 3f6s n GLN 96 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 3f6s n GLU 97 N -1.88 2.20 -4.43 -1.09 1.02 -1.26 -4.85 120.64 110.35 3f6s n GLU 97 Ca 0.02 -1.16 -0.21 0.00 -0.02 0.00 0.00 57.16 55.78 3f6s n GLU 97 Cb 0.16 -1.69 -0.10 0.00 -0.02 0.00 0.00 31.44 29.78 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 -1.54 1.96 -2.27 -0.32 1.51 -0.60 -5.06 117.35 111.03 3f6s s TYR 98 Ca 0.21 -0.68 0.20 0.00 -1.01 0.00 0.00 57.07 55.78 3f6s s TYR 98 Cb 0.16 -1.11 0.60 0.00 -0.11 0.00 0.00 41.96 41.50 3f6s s TYR 98 CO 0.05 0.30 1.47 -1.91 -1.11 0.00 0.00 175.55 174.35 3f6s n GLU 99 N -0.58 1.96 -2.86 -0.62 2.13 -1.26 -3.97 120.64 115.43 3f6s n GLU 99 Ca -0.05 -1.46 -0.12 0.00 0.66 0.00 0.00 57.16 56.19 3f6s n GLU 99 Cb 0.63 -1.41 0.03 0.00 0.27 0.00 0.00 31.44 30.96 3f6s n GLU 99 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 3f6s n HIS 100 N 0.68 -0.08 -1.49 4.31 8.25 -1.26 -5.03 115.22 120.60 3f6s n HIS 100 Ca 0.16 -2.98 -0.58 0.00 -0.26 0.00 0.00 57.72 54.06 3f6s n HIS 100 Cb 0.40 0.07 -0.09 0.00 1.12 0.00 0.00 29.99 31.49 3f6s n HIS 100 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3f6s n PHE 101 N 0.04 1.58 -3.41 4.41 7.35 -1.25 0.12 117.46 126.31 3f6s n PHE 101 Ca 0.13 0.64 -0.20 0.00 -0.76 0.00 0.00 57.45 57.25 3f6s n PHE 101 Cb 0.75 -2.39 -0.03 0.00 0.35 0.00 0.00 39.48 38.16 3f6s n PHE 101 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3f6s n GLY 103 N -0.84 -0.41 0.22 0.00 0.00 0.12 -0.96 105.19 103.33 3f6s n GLY 103 Ca 0.04 -0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.14 3f6s n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f6s h ALA 104 N 2.22 0.95 0.03 4.61 0.00 -1.81 -3.27 119.26 121.98 3f6s h ALA 104 Ca 0.00 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 3f6s h ALA 104 Cb 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3f6s h ALA 104 CO 0.00 0.21 -0.01 0.28 0.00 0.00 0.00 179.25 179.73 3f6s h VAL 105 N 0.00 1.20 -0.46 0.00 2.07 -1.32 -1.62 116.25 116.12 3f6s h VAL 105 Ca -0.00 -0.71 -0.10 0.00 0.82 0.00 0.00 66.70 66.71 3f6s h VAL 105 Cb 0.87 1.67 -0.02 0.00 -1.52 0.00 0.00 31.29 32.30 3f6s h VAL 105 CO 0.02 0.18 -0.10 1.55 0.02 0.00 0.00 177.57 179.24 3f6s h PRO 106 N -0.35 0.82 -0.76 1.57 0.13 -1.76 -1.17 132.00 130.48 3f6s h PRO 106 Ca -0.00 -0.28 -0.03 0.00 -0.87 0.00 0.00 66.00 64.82 3f6s h PRO 106 Cb 0.33 -0.07 -0.03 0.00 0.13 0.00 0.00 31.00 31.35 3f6s h PRO 106 CO 0.01 0.89 0.35 0.00 -0.23 0.00 0.00 178.00 179.02 3f6s h ALA 107 N 1.14 0.98 -0.35 -0.56 0.00 -1.60 0.18 119.26 119.05 3f6s h ALA 107 Ca 0.13 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 3f6s h ALA 107 Cb 0.60 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3f6s h ALA 107 CO 0.04 0.56 -0.13 0.82 0.00 0.00 0.00 179.25 180.54 3f6s h ILE 108 N 1.08 1.28 0.90 0.00 2.04 -1.18 -2.08 117.51 119.55 3f6s h ILE 108 Ca 0.26 -1.22 -0.04 0.00 1.00 0.00 0.00 64.86 64.86 3f6s h ILE 108 Cb 0.14 1.35 0.01 0.00 -0.74 0.00 0.00 36.82 37.58 3f6s h ILE 108 CO -0.03 0.40 -0.43 -0.33 0.00 0.00 0.00 178.15 177.76 3f6s h GLU 109 N 0.48 -1.16 0.09 2.37 5.08 -0.95 -2.13 114.58 118.37 3f6s h GLU 109 Ca 0.08 0.08 0.02 0.00 -1.00 0.00 0.00 59.36 58.54 3f6s h GLU 109 Cb 0.65 0.26 -0.05 0.00 0.50 0.00 0.00 28.75 30.11 3f6s h GLU 109 CO 0.04 -0.77 -0.49 0.93 -1.00 0.00 0.00 179.01 177.72 3f6s h GLU 110 N -1.22 -0.68 -0.98 2.33 3.07 -0.70 0.18 114.58 116.59 3f6s h GLU 110 Ca -0.12 0.05 0.19 0.00 -0.50 0.00 0.00 59.36 58.97 3f6s h GLU 110 Cb 0.93 0.15 -0.11 0.00 -0.84 0.00 0.00 28.75 28.88 3f6s h GLU 110 CO 0.20 -0.45 0.58 -0.09 -1.40 0.00 0.00 179.01 177.85 3f6s h ARG 111 N -0.70 0.69 -0.53 2.33 9.65 -1.47 0.29 114.38 124.63 3f6s h ARG 111 Ca 0.01 -0.04 -0.09 0.00 -1.10 0.00 0.00 59.98 58.76 3f6s h ARG 111 Cb 0.73 -0.16 -0.02 0.00 -1.39 0.00 0.00 29.97 29.13 3f6s h ARG 111 CO -0.29 0.46 -0.03 0.00 2.80 0.00 0.00 179.97 182.91 3f6s h ALA 112 N 1.65 0.95 -0.12 2.80 0.00 -0.51 -2.38 119.26 121.64 3f6s h ALA 112 Ca 0.57 -0.30 -0.15 0.00 0.00 0.00 0.00 54.91 55.03 3f6s h ALA 112 Cb 0.91 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 3f6s h ALA 112 CO -0.40 0.63 -0.55 0.87 0.00 0.00 0.00 179.25 179.80 3f6s h LYS 113 N 0.85 0.37 0.00 0.00 1.57 0.92 0.14 116.57 120.42 3f6s h LYS 113 Ca 0.15 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 3f6s h LYS 113 Cb 0.54 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.88 3f6s h LYS 113 CO 0.03 0.82 -0.05 0.93 -0.57 0.00 0.00 179.45 180.61 3f6s h GLU 114 N 0.28 0.00 -0.59 3.15 5.08 -0.04 -0.88 114.58 121.58 3f6s h GLU 114 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3f6s h GLU 114 Cb 1.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.30 3f6s h GLU 114 CO 0.09 0.05 0.00 1.28 -1.00 0.00 0.00 179.01 179.44 3f6s n LEU 115 N -3.41 3.76 0.00 1.33 4.77 -0.94 -4.95 117.00 117.57 3f6s n LEU 115 Ca -0.02 -2.10 0.00 0.00 -0.03 0.00 0.00 56.01 53.86 3f6s n LEU 115 Cb 0.19 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 3f6s n LEU 115 CO 0.27 0.87 0.00 0.61 -1.33 0.00 0.00 177.39 177.81 3f6s n GLY 116 N 1.15 0.93 3.87 -0.72 0.00 -0.34 -3.00 105.19 107.08 3f6s n GLY 116 Ca 0.21 -0.57 -0.33 0.00 0.00 0.00 0.00 46.02 45.32 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 3.64 -0.38 4.61 0.00 0.49 -0.52 121.76 127.60 3f6s s ALA 117 Ca 0.00 -0.32 -0.17 0.00 0.00 0.00 0.00 51.96 51.47 3f6s s ALA 117 Cb 0.00 -2.36 0.00 0.00 0.00 0.00 0.00 23.12 20.76 3f6s s ALA 117 CO 0.00 0.54 0.43 0.99 0.00 0.00 0.00 175.76 177.72 3f6s s THR 118 N -1.65 5.09 -0.06 0.00 2.01 -0.15 -4.29 115.64 116.60 3f6s s THR 118 Ca 0.42 -0.06 -0.30 0.00 0.31 0.00 0.00 61.69 62.06 3f6s s THR 118 Cb -0.13 -3.95 -0.03 0.00 0.01 0.00 0.00 72.50 68.40 3f6s s THR 118 CO 0.21 -0.27 1.20 -0.63 -0.69 0.00 0.00 174.62 174.44 3f6s s ILE 119 N 2.17 4.26 -0.81 1.82 -1.09 -1.26 -1.59 121.20 124.70 3f6s s ILE 119 Ca 0.14 1.58 0.11 0.00 -2.23 0.00 0.00 60.65 60.25 3f6s s ILE 119 Cb -0.16 -4.02 -0.05 0.00 -1.58 0.00 0.00 42.46 36.64 3f6s s ILE 119 CO 0.13 -0.01 0.59 2.30 -1.23 0.00 0.00 174.94 176.72 3f6s n ILE 120 N 4.64 0.00 -3.66 2.92 -5.35 -0.79 -4.92 119.36 112.19 3f6s n ILE 120 Ca 0.11 -0.32 -0.14 0.00 -0.27 0.00 0.00 62.75 62.13 3f6s n ILE 120 Cb 0.46 1.08 -0.07 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 -1.72 -1.14 0.05 -1.28 0.00 -1.26 -4.66 121.76 111.75 3f6s s ALA 121 Ca 0.07 0.60 -0.31 0.00 0.00 0.00 0.00 51.96 52.32 3f6s s ALA 121 Cb 0.09 0.15 -0.06 0.00 0.00 0.00 0.00 23.12 23.29 3f6s s ALA 121 CO 0.36 -0.36 1.35 -2.00 0.00 0.00 0.00 175.76 175.11 3f6s s GLU 122 N -1.67 4.33 0.22 0.00 2.12 -1.26 -4.76 118.70 117.67 3f6s s GLU 122 Ca -0.10 1.95 -0.28 0.00 0.36 0.00 0.00 54.97 56.90 3f6s s GLU 122 Cb -0.02 -3.41 -0.17 0.00 0.26 0.00 0.00 34.13 30.79 3f6s s GLU 122 CO 0.04 -0.45 0.54 0.41 -0.54 0.00 0.00 175.26 175.25 3f6s n GLY 123 N 3.49 -1.68 3.43 -1.50 0.00 -1.26 -4.93 105.19 102.74 3f6s n GLY 123 Ca 0.12 0.32 -0.42 0.00 0.00 0.00 0.00 46.02 46.03 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 2.86 5.01 -0.25 0.99 2.96 -0.56 -5.01 118.68 124.68 3f6s s LEU 124 Ca 0.63 -0.94 0.01 0.00 -0.22 0.00 0.00 54.13 53.61 3f6s s LEU 124 Cb -0.90 -2.12 0.05 0.00 0.50 0.00 0.00 46.19 43.72 3f6s s LEU 124 CO 0.57 -0.43 -0.09 -0.54 -1.32 0.00 0.00 176.35 174.53 3f6s s LYS 125 N 1.64 2.51 0.17 1.98 1.02 -1.26 -0.85 119.74 124.95 3f6s s LYS 125 Ca 0.04 -1.18 0.02 0.00 0.02 0.00 0.00 55.97 54.87 3f6s s LYS 125 Cb -0.19 -2.92 -0.01 0.00 -0.52 0.00 0.00 37.83 34.19 3f6s s LYS 125 CO 0.09 -0.49 0.18 0.00 -0.92 0.00 0.00 175.35 174.21 3f6s n MET 126 N 4.54 0.26 -4.43 1.68 0.00 -1.13 -5.05 117.12 113.00 3f6s n MET 126 Ca -0.15 -1.52 -0.25 0.00 0.00 0.00 0.00 57.70 55.78 3f6s n MET 126 Cb 0.44 1.33 -0.11 0.00 0.00 0.00 0.00 33.22 34.89 3f6s n MET 126 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 3f6s s GLU 127 N -2.55 1.57 2.70 3.17 2.02 -1.26 -1.12 118.70 123.23 3f6s s GLU 127 Ca 0.17 -1.63 0.00 0.00 0.02 0.00 0.00 54.97 53.53 3f6s s GLU 127 Cb 0.00 -1.73 0.00 0.00 0.10 0.00 0.00 34.13 32.50 3f6s s GLU 127 CO 0.12 0.35 0.00 0.41 0.02 0.00 0.00 175.26 176.16 3f6s n GLY 128 N -0.18 0.38 3.03 -1.39 0.00 -1.26 -4.61 105.19 101.16 3f6s n GLY 128 Ca -0.09 -0.89 -0.23 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.82 -0.22 0.26 1.61 3.85 -1.26 -4.69 116.55 113.28 3f6s n ASP 129 Ca 0.00 -1.33 0.09 0.00 -0.71 0.00 0.00 54.79 52.84 3f6s n ASP 129 Cb 0.00 -0.81 0.66 0.00 -1.35 0.00 0.00 41.12 39.62 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 -1.95 1.85 0.00 2.12 0.00 -1.80 -1.98 119.26 117.50 3f6s h ALA 130 Ca -0.34 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.48 3f6s h ALA 130 Cb 0.95 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3f6s h ALA 130 CO 0.24 0.05 -0.26 0.66 0.00 0.00 0.00 179.25 179.93 3f6s h SER 131 N 0.00 0.00 0.93 0.00 4.64 -1.93 -2.76 113.55 114.42 3f6s h SER 131 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3f6s h SER 131 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 3f6s h SER 131 CO 0.00 0.26 0.00 -1.13 -0.87 0.00 0.00 176.83 175.10 3f6s h ASN 132 N 0.00 0.00 0.00 4.97 -1.24 -1.63 -3.38 115.58 114.30 3f6s h ASN 132 Ca -0.00 0.00 -0.17 0.00 0.71 0.00 0.00 56.30 56.84 3f6s h ASN 132 Cb 0.80 0.00 -0.14 0.00 0.73 0.00 0.00 38.32 39.71 3f6s h ASN 132 CO 0.03 0.00 -0.33 -0.67 -1.29 0.00 0.00 177.43 175.17 3f6s n ASP 133 N -2.70 -2.33 0.28 1.15 2.03 -1.16 -4.99 116.55 108.82 3f6s n ASP 133 Ca 0.01 -2.82 0.16 0.00 0.52 0.00 0.00 54.79 52.66 3f6s n ASP 133 Cb 0.28 1.48 0.77 0.00 -0.72 0.00 0.00 41.12 42.93 3f6s n ASP 133 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3f6s h PRO 134 N 3.64 0.00 -0.65 -0.67 0.13 -1.68 -2.73 132.00 130.04 3f6s h PRO 134 Ca -0.18 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.87 3f6s h PRO 134 Cb 1.09 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.20 3f6s h PRO 134 CO 0.15 0.08 0.10 0.93 -0.23 0.00 0.00 178.00 179.03 3f6s h GLU 135 N 0.00 1.07 0.06 0.86 5.08 -1.95 -0.29 114.58 119.41 3f6s h GLU 135 Ca -0.00 -0.29 -0.25 0.00 -1.00 0.00 0.00 59.36 57.82 3f6s h GLU 135 Cb 0.37 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 3f6s h GLU 135 CO 0.01 0.99 -1.23 0.00 -1.00 0.00 0.00 179.01 177.78 3f6s h ALA 136 N 1.04 0.28 0.48 3.43 0.00 -1.90 -0.19 119.26 122.41 3f6s h ALA 136 Ca 0.20 -0.98 -0.02 0.00 0.00 0.00 0.00 54.91 54.11 3f6s h ALA 136 Cb 0.44 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 3f6s h ALA 136 CO 0.01 1.16 -0.29 0.28 0.00 0.00 0.00 179.25 180.41 3f6s h VAL 137 N 0.04 0.40 -0.58 0.00 2.07 -1.45 -2.10 116.25 114.62 3f6s h VAL 137 Ca -0.11 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.43 3f6s h VAL 137 Cb 1.90 0.40 -0.04 0.00 -1.52 0.00 0.00 31.29 32.03 3f6s h VAL 137 CO 0.16 0.00 0.36 0.00 0.02 0.00 0.00 177.57 178.11 3f6s h ALA 138 N -0.27 0.75 -0.98 1.67 0.00 -1.07 -0.79 119.26 118.57 3f6s h ALA 138 Ca -0.06 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.85 3f6s h ALA 138 Cb 0.60 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 3f6s h ALA 138 CO 0.06 0.10 0.65 1.03 0.00 0.00 0.00 179.25 181.09 3f6s h SER 139 N 0.72 1.12 -0.32 0.00 0.87 -1.02 -0.06 113.55 114.86 3f6s h SER 139 Ca 0.23 -0.03 -0.16 0.00 -1.23 0.00 0.00 61.79 60.60 3f6s h SER 139 Cb 0.00 -0.28 -0.00 0.00 -0.44 0.00 0.00 62.40 61.68 3f6s h SER 139 CO -0.09 0.80 -0.43 0.15 -0.53 0.00 0.00 176.83 176.73 3f6s h PHE 140 N 1.32 1.05 0.00 2.24 3.57 -0.82 -2.40 116.94 121.89 3f6s h PHE 140 Ca 0.36 -0.34 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 3f6s h PHE 140 Cb -0.13 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 38.40 3f6s h PHE 140 CO -0.00 1.16 -0.09 0.00 -2.23 0.00 0.00 178.31 177.15 3f6s h ALA 141 N 0.71 1.04 -0.00 2.41 0.00 -0.81 -2.47 119.26 120.13 3f6s h ALA 141 Ca 0.04 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3f6s h ALA 141 Cb 1.03 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3f6s h ALA 141 CO 0.10 0.11 -0.01 1.49 0.00 0.00 0.00 179.25 180.94 3f6s h GLU 142 N 0.00 0.01 0.00 0.00 4.81 -0.78 -1.64 114.58 116.98 3f6s h GLU 142 Ca -0.00 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.17 3f6s h GLU 142 Cb 0.55 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 3f6s h GLU 142 CO 0.01 0.65 -0.21 -0.44 -0.73 0.00 0.00 179.01 178.28 3f6s h ASP 143 N -0.61 0.00 0.03 1.04 3.32 -1.25 -2.68 116.42 116.26 3f6s h ASP 143 Ca -0.00 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.85 3f6s h ASP 143 Cb 0.65 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.22 3f6s h ASP 143 CO 0.00 0.21 -0.79 0.58 -1.72 0.00 0.00 179.24 177.53 3f6s h VAL 144 N 0.00 1.39 -0.39 -1.35 2.07 -1.43 -3.24 116.25 113.31 3f6s h VAL 144 Ca -0.00 -2.20 -0.06 0.00 0.82 0.00 0.00 66.70 65.25 3f6s h VAL 144 Cb 0.50 2.62 -0.02 0.00 -1.52 0.00 0.00 31.29 32.88 3f6s h VAL 144 CO 0.03 0.65 -0.03 -0.07 0.02 0.00 0.00 177.57 178.17 3f6s h LEU 145 N 0.02 0.60 -1.54 2.57 3.38 -1.05 -1.92 115.31 117.36 3f6s h LEU 145 Ca -0.11 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.69 3f6s h LEU 145 Cb 1.50 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 42.08 3f6s h LEU 145 CO 0.15 0.69 -0.12 0.11 0.09 0.00 0.00 178.44 179.36 3f6s h LYS 146 N 0.59 0.14 0.00 1.13 1.79 -1.57 -3.12 116.57 115.53 3f6s h LYS 146 Ca 0.12 -0.03 -0.19 0.00 -2.18 0.00 0.00 60.65 58.37 3f6s h LYS 146 Cb 0.42 -0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 31.02 3f6s h LYS 146 CO 0.02 0.27 -0.96 1.96 -1.08 0.00 0.00 179.45 179.66 3f6s h GLN 147 N 0.14 0.00 0.00 3.15 1.08 -1.38 -3.52 115.11 114.58 3f6s h GLN 147 Ca 0.03 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 3f6s h GLN 147 Cb 0.31 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.74 3f6s h GLN 147 CO 0.02 0.78 0.00 1.28 -0.95 0.00 0.00 178.83 179.96