#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 4.24 -0.10 1.43 1.02 -1.26 -1.75 119.74 123.32 3f6s s LYS 3 Ca 0.00 0.06 0.02 0.00 0.02 0.00 0.00 55.97 56.07 3f6s s LYS 3 Cb 0.00 -3.44 0.01 0.00 -0.52 0.00 0.00 37.83 33.88 3f6s s LYS 3 CO 0.00 0.20 -0.14 0.08 -0.92 0.00 0.00 175.35 174.57 3f6s s VAL 4 N 0.58 1.41 -0.25 3.17 1.01 -0.20 -1.39 120.40 124.72 3f6s s VAL 4 Ca 0.16 -0.60 -0.08 0.00 0.00 0.00 0.00 61.98 61.46 3f6s s VAL 4 Cb -0.13 -1.29 -0.03 0.00 0.00 0.00 0.00 36.38 34.93 3f6s s VAL 4 CO 0.04 0.42 0.09 -0.22 0.00 0.00 0.00 175.10 175.43 3f6s s LEU 5 N 0.93 3.57 -0.32 3.92 2.96 -0.37 -0.77 118.68 128.60 3f6s s LEU 5 Ca -0.08 -0.16 -0.10 0.00 -0.22 0.00 0.00 54.13 53.57 3f6s s LEU 5 Cb -0.15 -1.97 -0.01 0.00 0.50 0.00 0.00 46.19 44.56 3f6s s LEU 5 CO -0.00 -0.03 0.17 -0.63 -1.32 0.00 0.00 176.35 174.54 3f6s s ILE 6 N 1.61 4.77 -0.18 6.68 1.01 -0.33 0.65 121.20 135.40 3f6s s ILE 6 Ca 0.06 -0.35 -0.02 0.00 0.00 0.00 0.00 60.65 60.34 3f6s s ILE 6 Cb -0.15 -3.43 -0.01 0.00 0.01 0.00 0.00 42.46 38.88 3f6s s ILE 6 CO 0.05 0.06 -0.09 -0.69 0.00 0.00 0.00 174.94 174.27 3f6s s VAL 7 N 1.64 3.19 0.06 2.92 1.01 0.10 -0.51 120.40 128.81 3f6s s VAL 7 Ca 0.05 -0.58 0.05 0.00 0.00 0.00 0.00 61.98 61.50 3f6s s VAL 7 Cb -0.17 -2.40 -0.03 0.00 0.00 0.00 0.00 36.38 33.78 3f6s s VAL 7 CO 0.07 0.47 -0.13 0.72 0.00 0.00 0.00 175.10 176.23 3f6s s PHE 8 N 1.00 1.15 -0.28 5.22 -0.12 -0.92 0.64 117.98 124.67 3f6s s PHE 8 Ca -0.01 -0.42 -0.04 0.00 -0.05 0.00 0.00 56.93 56.41 3f6s s PHE 8 Cb -0.15 -0.66 0.02 0.00 -0.63 0.00 0.00 43.02 41.60 3f6s s PHE 8 CO -0.01 0.03 0.02 0.20 -0.05 0.00 0.00 175.22 175.42 3f6s s GLY 9 N -1.49 1.73 -0.05 1.99 0.00 0.19 -0.86 107.32 108.83 3f6s s GLY 9 Ca -0.02 -1.51 0.02 0.00 0.00 0.00 0.00 44.72 43.21 3f6s s GLY 9 CO 0.02 0.61 -0.08 -0.45 0.00 0.00 0.00 173.10 173.20 3f6s s SER 10 N 1.40 1.28 -0.22 1.64 0.15 -1.26 -2.94 113.70 113.75 3f6s s SER 10 Ca 0.01 -0.20 -0.00 0.00 0.70 0.00 0.00 55.95 56.46 3f6s s SER 10 Cb -0.17 -0.55 -0.14 0.00 -1.71 0.00 0.00 66.02 63.45 3f6s s SER 10 CO -0.00 0.00 -0.21 -1.20 1.20 0.00 0.00 173.24 173.03 3f6s n SER 11 N 3.79 2.22 -0.87 5.45 7.64 -1.26 -4.61 113.62 125.98 3f6s n SER 11 Ca -0.23 -0.07 0.07 0.00 1.01 0.00 0.00 58.87 59.66 3f6s n SER 11 Cb 0.52 -0.39 0.22 0.00 -1.01 0.00 0.00 64.21 63.55 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 -3.25 1.46 -0.14 0.44 -2.24 -1.26 -4.98 114.28 104.31 3f6s n THR 12 Ca -0.39 -1.26 0.00 0.00 -2.27 0.00 0.00 64.05 60.12 3f6s n THR 12 Cb 0.90 0.25 0.00 0.00 -2.10 0.00 0.00 70.33 69.38 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 0.38 1.08 0.19 3.38 0.00 -1.26 -4.96 105.19 103.99 3f6s n GLY 13 Ca 0.17 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.33 -0.83 1.61 -0.26 -1.94 -1.02 115.58 112.82 3f6s h ASN 14 Ca 0.00 -0.10 -0.01 0.00 -0.56 0.00 0.00 56.30 55.63 3f6s h ASN 14 Cb 0.00 0.08 -0.04 0.00 -1.06 0.00 0.00 38.32 37.30 3f6s h ASN 14 CO 0.00 -0.09 0.48 0.74 -1.06 0.00 0.00 177.43 177.50 3f6s h THR 15 N -0.56 1.24 -0.48 2.81 2.02 -1.86 -1.80 112.91 114.27 3f6s h THR 15 Ca -0.04 -0.55 0.10 0.00 0.77 0.00 0.00 66.41 66.69 3f6s h THR 15 Cb 0.41 0.09 -0.09 0.00 -1.74 0.00 0.00 68.15 66.82 3f6s h THR 15 CO 0.06 0.25 -0.12 -0.08 0.37 0.00 0.00 175.52 176.01 3f6s h GLU 16 N 1.15 0.00 -0.72 6.66 4.81 -1.86 0.59 114.58 125.21 3f6s h GLU 16 Ca 0.30 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.52 3f6s h GLU 16 Cb -0.01 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.33 3f6s h GLU 16 CO -0.05 0.00 0.44 1.03 -0.73 0.00 0.00 179.01 179.70 3f6s h SER 17 N 0.00 0.87 -0.38 1.04 0.87 -0.51 0.18 113.55 115.63 3f6s h SER 17 Ca 0.23 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.73 3f6s h SER 17 Cb 0.35 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.08 3f6s h SER 17 CO -0.49 0.67 0.24 0.40 -0.53 0.00 0.00 176.83 177.12 3f6s h ILE 18 N 0.99 1.11 -0.53 2.23 2.04 -0.50 -1.45 117.51 121.40 3f6s h ILE 18 Ca 0.26 -0.23 0.02 0.00 1.00 0.00 0.00 64.86 65.91 3f6s h ILE 18 Cb -0.04 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 36.59 3f6s h ILE 18 CO -0.05 0.11 0.32 0.00 0.00 0.00 0.00 178.15 178.53 3f6s h ALA 19 N 1.12 0.67 -0.67 1.87 0.00 -0.35 0.51 119.26 122.42 3f6s h ALA 19 Ca 0.14 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.08 3f6s h ALA 19 Cb -0.03 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.55 3f6s h ALA 19 CO -0.03 0.04 0.40 1.96 0.00 0.00 0.00 179.25 181.61 3f6s h GLN 20 N 0.64 0.73 0.31 0.00 4.20 -0.35 -1.29 115.11 119.35 3f6s h GLN 20 Ca 0.21 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.86 3f6s h GLN 20 Cb 0.01 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 27.62 3f6s h GLN 20 CO -0.09 0.48 -0.15 -0.22 -0.67 0.00 0.00 178.83 178.19 3f6s h LYS 21 N 0.75 -0.40 -0.69 1.46 1.63 -0.75 -2.45 116.57 116.12 3f6s h LYS 21 Ca 0.28 0.03 0.15 0.00 -0.85 0.00 0.00 60.65 60.26 3f6s h LYS 21 Cb 0.10 0.09 -0.12 0.00 -0.60 0.00 0.00 32.23 31.70 3f6s h LYS 21 CO -0.14 -0.10 -0.03 -0.07 -3.45 0.00 0.00 179.45 175.66 3f6s h LEU 22 N -0.70 -0.37 -0.64 5.20 3.38 -0.79 0.71 115.31 122.11 3f6s h LEU 22 Ca -0.04 0.18 0.07 0.00 0.09 0.00 0.00 57.88 58.18 3f6s h LEU 22 Cb 0.48 0.33 -0.06 0.00 0.09 0.00 0.00 40.66 41.50 3f6s h LEU 22 CO 0.07 -0.16 0.32 -0.08 0.09 0.00 0.00 178.44 178.68 3f6s h GLU 23 N 0.09 0.56 0.53 1.13 4.81 -1.14 0.35 114.58 120.90 3f6s h GLU 23 Ca 0.36 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.53 3f6s h GLU 23 Cb 0.61 -0.13 0.01 0.00 0.63 0.00 0.00 28.75 29.87 3f6s h GLU 23 CO -0.62 0.37 -0.25 1.49 -0.73 0.00 0.00 179.01 179.27 3f6s h GLU 24 N 0.58 -0.68 -0.68 1.92 4.81 -0.51 -0.33 114.58 119.69 3f6s h GLU 24 Ca 0.30 0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.60 3f6s h GLU 24 Cb 0.26 0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.76 3f6s h GLU 24 CO -0.22 -0.45 0.45 -0.07 -0.73 0.00 0.00 179.01 177.99 3f6s h LEU 25 N -0.72 0.72 0.02 1.64 3.38 -0.42 -2.58 115.31 117.34 3f6s h LEU 25 Ca -0.07 -0.01 -0.24 0.00 0.09 0.00 0.00 57.88 57.65 3f6s h LEU 25 Cb 0.55 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 3f6s h LEU 25 CO 0.12 0.50 -1.17 0.40 0.09 0.00 0.00 178.44 178.38 3f6s h ILE 26 N 0.83 1.52 -0.49 1.22 2.04 -0.15 -3.04 117.51 119.44 3f6s h ILE 26 Ca 0.26 -3.24 -0.09 0.00 1.00 0.00 0.00 64.86 62.80 3f6s h ILE 26 Cb 0.03 2.79 -0.02 0.00 -0.74 0.00 0.00 36.82 38.87 3f6s h ILE 26 CO -0.07 0.88 -0.06 0.00 0.00 0.00 0.00 178.15 178.90 3f6s h ALA 27 N 0.92 0.97 0.00 1.87 0.00 -0.90 -2.39 119.26 119.72 3f6s h ALA 27 Ca -0.08 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3f6s h ALA 27 Cb 1.85 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.45 3f6s h ALA 27 CO 0.13 0.62 0.00 0.00 0.00 0.00 0.00 179.25 180.00 3f6s h ALA 28 N 1.14 1.00 0.00 0.00 0.00 -1.43 -0.46 119.26 119.50 3f6s h ALA 28 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3f6s h ALA 28 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3f6s h ALA 28 CO 0.03 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.69 3f6s n GLY 29 N -0.44 -1.30 0.39 0.00 0.00 -0.90 -4.92 105.19 98.02 3f6s n GLY 29 Ca -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 1.20 0.49 3.07 -0.02 0.00 -0.19 -5.06 105.19 104.68 3f6s n GLY 30 Ca 0.11 -0.18 -0.08 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.78 0.41 -0.05 1.61 4.02 -1.21 -4.25 115.29 114.04 3f6s s HIS 31 Ca 0.00 -0.87 -0.19 0.00 1.02 0.00 0.00 55.06 55.02 3f6s s HIS 31 Cb 0.00 -0.30 -0.05 0.00 -1.02 0.00 0.00 32.58 31.21 3f6s s HIS 31 CO 0.00 -0.34 0.53 -1.21 1.02 0.00 0.00 174.74 174.73 3f6s s GLU 32 N -3.24 4.28 -0.00 1.40 8.01 -0.72 -4.38 118.70 124.04 3f6s s GLU 32 Ca 0.01 0.58 0.07 0.00 0.01 0.00 0.00 54.97 55.64 3f6s s GLU 32 Cb 0.03 -3.37 -0.02 0.00 -4.31 0.00 0.00 34.13 26.46 3f6s s GLU 32 CO -0.08 0.31 -0.23 0.08 0.01 0.00 0.00 175.26 175.35 3f6s s VAL 33 N 0.07 1.83 -0.08 2.63 1.01 -1.26 -1.03 120.40 123.57 3f6s s VAL 33 Ca 0.28 -1.04 0.03 0.00 0.00 0.00 0.00 61.98 61.25 3f6s s VAL 33 Cb -0.17 -1.53 -0.02 0.00 0.00 0.00 0.00 36.38 34.67 3f6s s VAL 33 CO 0.14 0.46 -0.18 -0.89 0.00 0.00 0.00 175.10 174.63 3f6s s THR 34 N -0.59 2.67 -0.23 3.92 2.01 0.05 -4.97 115.64 118.49 3f6s s THR 34 Ca 0.09 -0.84 -0.08 0.00 0.31 0.00 0.00 61.69 61.17 3f6s s THR 34 Cb -0.09 -2.05 -0.04 0.00 0.01 0.00 0.00 72.50 70.33 3f6s s THR 34 CO -0.00 0.56 0.10 -0.22 -0.69 0.00 0.00 174.62 174.37 3f6s s LEU 35 N -0.14 3.78 -0.14 4.42 2.96 -1.26 -1.19 118.68 127.11 3f6s s LEU 35 Ca -0.02 -0.02 -0.00 0.00 -0.22 0.00 0.00 54.13 53.87 3f6s s LEU 35 Cb -0.14 -2.00 0.03 0.00 0.50 0.00 0.00 46.19 44.59 3f6s s LEU 35 CO 0.04 0.06 -0.07 -0.22 -1.32 0.00 0.00 176.35 174.83 3f6s s LEU 36 N 1.09 1.47 0.21 -0.68 0.20 0.33 -4.98 118.68 116.32 3f6s s LEU 36 Ca 0.05 -0.50 -0.30 0.00 0.69 0.00 0.00 54.13 54.07 3f6s s LEU 36 Cb -0.14 -0.92 -0.09 0.00 -0.43 0.00 0.00 46.19 44.61 3f6s s LEU 36 CO 0.04 -0.14 1.25 0.21 -0.29 0.00 0.00 176.35 177.42 3f6s s ASN 37 N 1.64 6.98 0.00 3.68 3.84 -1.26 -2.16 114.94 127.66 3f6s s ASN 37 Ca 0.03 2.36 0.17 0.00 0.21 0.00 0.00 52.86 55.63 3f6s s ASN 37 Cb -0.14 -2.61 0.86 0.00 -0.55 0.00 0.00 41.25 38.81 3f6s s ASN 37 CO -0.08 -0.44 1.51 0.00 -2.79 0.00 0.00 177.10 175.29 3f6s n ALA 38 N 2.30 1.93 0.29 1.71 0.00 -0.04 -1.31 120.51 125.39 3f6s n ALA 38 Ca 0.04 -0.08 0.12 0.00 0.00 0.00 0.00 53.44 53.52 3f6s n ALA 38 Cb 0.43 -1.28 0.05 0.00 0.00 0.00 0.00 19.45 18.66 3f6s n ALA 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3f6s n ALA 39 N -1.29 2.74 0.94 0.00 0.00 -1.26 -3.63 120.51 118.01 3f6s n ALA 39 Ca 0.08 -0.26 0.11 0.00 0.00 0.00 0.00 53.44 53.37 3f6s n ALA 39 Cb 0.14 -1.11 0.02 0.00 0.00 0.00 0.00 19.45 18.49 3f6s n ALA 39 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3f6s n ASP 40 N -2.43 2.16 -4.80 0.00 8.00 -0.43 -5.00 116.55 114.05 3f6s n ASP 40 Ca 0.01 -1.58 -0.38 0.00 0.71 0.00 0.00 54.79 53.55 3f6s n ASP 40 Cb 0.51 0.37 -0.06 0.00 -0.02 0.00 0.00 41.12 41.92 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 -2.26 3.47 -0.15 2.24 0.00 -1.04 -5.00 121.76 119.03 3f6s s ALA 41 Ca 0.19 0.21 -0.04 0.00 0.00 0.00 0.00 51.96 52.33 3f6s s ALA 41 Cb 0.17 -2.83 -0.03 0.00 0.00 0.00 0.00 23.12 20.44 3f6s s ALA 41 CO 0.48 0.33 -0.03 -1.12 0.00 0.00 0.00 175.76 175.42 3f6s s SER 42 N -1.31 4.86 0.08 0.00 0.01 -1.26 -5.00 113.70 111.08 3f6s s SER 42 Ca 0.37 -0.10 -0.23 0.00 1.31 0.00 0.00 55.95 57.29 3f6s s SER 42 Cb -0.20 -1.76 -0.15 0.00 0.21 0.00 0.00 66.02 64.11 3f6s s SER 42 CO 0.23 0.18 1.71 0.00 0.41 0.00 0.00 173.24 175.77 3f6s h ALA 43 N 6.59 -0.00 -1.51 1.44 0.00 -1.92 -3.38 119.26 120.48 3f6s h ALA 43 Ca -0.33 -0.02 -0.71 0.00 0.00 0.00 0.00 54.91 53.86 3f6s h ALA 43 Cb 1.19 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.99 3f6s h ALA 43 CO 0.63 -0.49 1.05 -1.91 0.00 0.00 0.00 179.25 178.53 3f6s n GLU 44 N -5.08 1.29 -1.99 0.00 4.07 -1.26 -1.22 120.64 116.46 3f6s n GLU 44 Ca -0.07 0.46 -0.21 0.00 -0.06 0.00 0.00 57.16 57.28 3f6s n GLU 44 Cb 0.05 -2.25 -0.05 0.00 -0.06 0.00 0.00 31.44 29.12 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 6.52 -5.65 -0.38 4.31 3.02 -0.13 -4.85 115.26 118.11 3f6s n ASN 45 Ca 0.29 0.26 -0.02 0.00 -0.03 0.00 0.00 54.58 55.08 3f6s n ASN 45 Cb 0.17 -4.85 0.11 0.00 -0.61 0.00 0.00 39.78 34.61 3f6s n ASN 45 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 3f6s h LEU 46 N 0.00 1.15 0.00 3.41 5.85 -0.86 -2.44 115.31 122.41 3f6s h LEU 46 Ca -0.46 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.24 3f6s h LEU 46 Cb 1.35 -0.29 0.00 0.00 0.37 0.00 0.00 40.66 42.10 3f6s h LEU 46 CO 0.60 0.83 0.00 0.00 -0.34 0.00 0.00 178.44 179.53 3f6s n ALA 47 N -2.38 2.23 -1.67 1.25 0.00 -0.32 -4.88 120.51 114.73 3f6s n ALA 47 Ca 0.12 -0.11 -0.47 0.00 0.00 0.00 0.00 53.44 52.98 3f6s n ALA 47 Cb 0.02 -1.41 -0.04 0.00 0.00 0.00 0.00 19.45 18.02 3f6s n ALA 47 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3f6s n ASP 48 N -1.34 3.29 0.00 0.00 9.92 -0.92 -1.61 116.55 125.89 3f6s n ASP 48 Ca 0.10 1.02 0.00 0.00 -0.53 0.00 0.00 54.79 55.39 3f6s n ASP 48 Cb 0.22 -1.40 0.00 0.00 -0.64 0.00 0.00 41.12 39.30 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 3.93 1.81 3.82 0.44 0.00 -1.26 -5.05 105.19 108.87 3f6s n GLY 49 Ca 0.20 0.00 -0.35 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 -2.35 3.41 -0.00 1.61 1.51 -0.63 -4.85 117.35 116.04 3f6s s TYR 50 Ca 0.00 0.33 0.11 0.00 -1.01 0.00 0.00 57.07 56.50 3f6s s TYR 50 Cb 0.00 -1.82 -0.18 0.00 -0.11 0.00 0.00 41.96 39.85 3f6s s TYR 50 CO 0.00 0.61 1.00 -0.44 -1.11 0.00 0.00 175.55 175.61 3f6s h ASP 51 N 4.48 0.00 -4.85 2.29 3.32 -1.53 -3.47 116.42 116.66 3f6s h ASP 51 Ca -0.51 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.41 3f6s h ASP 51 Cb 1.20 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.54 3f6s h ASP 51 CO 0.61 0.90 -0.32 0.00 -1.72 0.00 0.00 179.24 178.71 3f6s s ALA 52 N -2.72 -0.71 -0.06 3.45 0.00 -0.96 -1.69 121.76 119.08 3f6s s ALA 52 Ca -0.01 0.31 -0.01 0.00 0.00 0.00 0.00 51.96 52.25 3f6s s ALA 52 Cb 0.09 0.01 0.03 0.00 0.00 0.00 0.00 23.12 23.25 3f6s s ALA 52 CO 0.81 -0.24 -0.01 0.08 0.00 0.00 0.00 175.76 176.41 3f6s s VAL 53 N -1.16 0.37 -0.20 0.00 1.01 0.17 -1.23 120.40 119.35 3f6s s VAL 53 Ca -0.12 0.08 -0.06 0.00 0.00 0.00 0.00 61.98 61.87 3f6s s VAL 53 Cb -0.05 -0.49 -0.03 0.00 0.00 0.00 0.00 36.38 35.80 3f6s s VAL 53 CO 0.03 0.24 0.04 -0.76 0.00 0.00 0.00 175.10 174.64 3f6s s LEU 54 N 1.65 3.52 -0.23 3.92 1.43 0.21 -2.63 118.68 126.55 3f6s s LEU 54 Ca -0.00 -0.08 -0.08 0.00 -1.03 0.00 0.00 54.13 52.94 3f6s s LEU 54 Cb -0.13 -1.90 -0.03 0.00 0.03 0.00 0.00 46.19 44.16 3f6s s LEU 54 CO -0.04 0.10 0.08 -0.36 0.23 0.00 0.00 176.35 176.36 3f6s s PHE 55 N 0.78 3.15 -0.11 0.29 0.40 -0.12 0.03 117.98 122.40 3f6s s PHE 55 Ca 0.02 -0.19 0.01 0.00 -0.60 0.00 0.00 56.93 56.16 3f6s s PHE 55 Cb -0.14 -2.19 -0.02 0.00 0.51 0.00 0.00 43.02 41.18 3f6s s PHE 55 CO 0.02 -0.16 -0.13 0.20 0.70 0.00 0.00 175.22 175.86 3f6s s GLY 56 N 1.18 1.55 -0.21 4.36 0.00 0.21 -0.93 107.32 113.47 3f6s s GLY 56 Ca 0.05 -0.90 -0.04 0.00 0.00 0.00 0.00 44.72 43.82 3f6s s GLY 56 CO 0.04 -0.32 0.35 0.00 0.00 0.00 0.00 173.10 173.16 3f6s s SER 58 N 2.52 5.05 -0.25 0.00 1.04 -1.15 -4.36 113.70 116.54 3f6s s SER 58 Ca 0.06 1.37 -0.13 0.00 0.48 0.00 0.00 55.95 57.73 3f6s s SER 58 Cb -0.14 -2.18 -0.04 0.00 0.10 0.00 0.00 66.02 63.76 3f6s s SER 58 CO -0.13 -1.62 0.27 0.00 0.98 0.00 0.00 173.24 172.74 3f6s s ALA 59 N -3.16 3.57 -0.41 5.32 0.00 -1.06 -2.87 121.76 123.14 3f6s s ALA 59 Ca 0.59 -0.84 0.02 0.00 0.00 0.00 0.00 51.96 51.73 3f6s s ALA 59 Cb -0.13 -2.53 0.13 0.00 0.00 0.00 0.00 23.12 20.58 3f6s s ALA 59 CO 0.54 -0.43 0.20 -1.58 0.00 0.00 0.00 175.76 174.50 3f6s s TRP 60 N 1.55 2.07 0.35 0.00 0.52 -0.95 -4.93 118.94 117.54 3f6s s TRP 60 Ca 0.12 -2.35 0.03 0.00 0.02 0.00 0.00 56.10 53.91 3f6s s TRP 60 Cb -0.15 -1.95 0.64 0.00 -1.15 0.00 0.00 33.47 30.86 3f6s s TRP 60 CO 0.08 -0.81 1.98 0.78 0.02 0.00 0.00 176.95 179.00 3f6s h GLY 61 N 7.03 0.81 0.00 0.98 0.00 -1.84 -3.33 103.07 106.73 3f6s h GLY 61 Ca -0.04 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.95 3f6s h GLY 61 CO 0.49 0.33 0.00 1.03 0.00 0.00 0.00 176.54 178.39 3f6s n MET 62 N -4.41 3.36 0.00 4.80 2.81 -1.26 -4.60 117.12 117.82 3f6s n MET 62 Ca 0.05 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.94 3f6s n MET 62 Cb 0.09 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.60 3f6s n MET 62 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3f6s n GLU 63 N 0.00 0.00 -2.18 0.03 1.02 -1.26 -4.17 120.64 114.08 3f6s n GLU 63 Ca 0.00 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.72 3f6s n GLU 63 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.39 3f6s n GLU 63 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3f6s s ASP 64 N -3.28 6.83 -0.44 1.62 1.01 -1.26 -4.85 116.67 116.30 3f6s s ASP 64 Ca 0.00 2.33 -0.16 0.00 0.71 0.00 0.00 52.55 55.43 3f6s s ASP 64 Cb 0.00 -2.59 -0.17 0.00 1.01 0.00 0.00 42.92 41.18 3f6s s ASP 64 CO 0.00 -0.64 1.49 0.18 0.21 0.00 0.00 175.17 176.41 3f6s n LEU 65 N 3.82 0.01 0.00 1.23 4.77 -1.26 -4.32 117.00 121.25 3f6s n LEU 65 Ca 0.11 -1.74 0.00 0.00 -0.03 0.00 0.00 56.01 54.35 3f6s n LEU 65 Cb 0.42 -0.96 0.00 0.00 -2.33 0.00 0.00 43.42 40.55 3f6s n LEU 65 CO 0.58 -2.44 0.00 1.21 -1.33 0.00 0.00 177.39 175.41 3f6s n GLU 66 N 6.47 0.00 -3.99 3.23 2.13 -1.25 -4.87 120.64 122.36 3f6s n GLU 66 Ca 0.25 0.00 -0.21 0.00 0.66 0.00 0.00 57.16 57.86 3f6s n GLU 66 Cb 0.44 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.12 3f6s n GLU 66 CO 0.00 0.00 0.00 -1.64 -0.41 0.00 0.00 177.13 175.08 3f6s s MET 67 N 0.00 3.27 -0.03 5.31 -1.94 -1.26 -2.25 119.30 122.40 3f6s s MET 67 Ca 0.00 -0.86 -0.34 0.00 -1.71 0.00 0.00 55.69 52.78 3f6s s MET 67 Cb 0.00 -2.79 -0.12 0.00 2.01 0.00 0.00 34.83 33.93 3f6s s MET 67 CO 0.00 0.40 1.82 0.94 -0.01 0.00 0.00 175.02 178.17 3f6s n GLN 68 N -1.35 2.19 0.00 2.03 0.00 -1.14 -4.67 117.38 114.44 3f6s n GLN 68 Ca -0.08 0.80 0.00 0.00 -0.00 0.00 0.00 57.00 57.72 3f6s n GLN 68 Cb 0.57 -2.63 0.00 0.00 0.00 0.00 0.00 30.24 28.18 3f6s n GLN 68 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 3f6s n ASP 69 N 6.00 0.00 0.14 1.69 10.43 -1.26 0.26 116.55 133.80 3f6s n ASP 69 Ca 0.21 0.00 0.14 0.00 2.57 0.00 0.00 54.79 57.72 3f6s n ASP 69 Cb 0.30 0.00 0.68 0.00 1.84 0.00 0.00 41.12 43.93 3f6s n ASP 69 CO 0.00 0.00 0.00 0.44 -1.07 0.00 0.00 177.20 176.57 3f6s h ASP 70 N 0.00 0.00 0.12 -2.24 3.32 -1.91 -2.58 116.42 113.13 3f6s h ASP 70 Ca 0.00 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.79 3f6s h ASP 70 Cb 0.00 0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.58 3f6s h ASP 70 CO 0.00 0.00 -1.09 0.15 -1.72 0.00 0.00 179.24 176.58 3f6s h PHE 71 N 0.00 0.86 -0.87 4.55 3.57 -0.47 -3.25 116.94 121.34 3f6s h PHE 71 Ca 0.12 -0.56 0.13 0.00 3.53 0.00 0.00 57.97 61.19 3f6s h PHE 71 Cb 0.50 -0.06 -0.09 0.00 2.79 0.00 0.00 35.95 39.09 3f6s h PHE 71 CO 0.00 1.41 0.49 1.25 -2.23 0.00 0.00 178.31 179.22 3f6s h LEU 72 N 0.08 0.65 -0.10 0.59 7.12 -0.74 0.30 115.31 123.21 3f6s h LEU 72 Ca -0.17 0.07 0.03 0.00 0.13 0.00 0.00 57.88 57.94 3f6s h LEU 72 Cb 1.80 -0.05 -0.03 0.00 -0.53 0.00 0.00 40.66 41.85 3f6s h LEU 72 CO 0.21 0.32 -0.07 0.28 -0.13 0.00 0.00 178.44 179.05 3f6s h SER 73 N 0.74 -0.24 0.48 1.25 0.02 -1.65 0.58 113.55 114.73 3f6s h SER 73 Ca 0.45 0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 61.44 3f6s h SER 73 Cb 0.54 0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.19 3f6s h SER 73 CO -0.31 -0.10 -0.34 0.25 -1.14 0.00 0.00 176.83 175.19 3f6s h LEU 74 N -0.08 -0.87 -0.64 5.07 5.85 -1.18 -3.02 115.31 120.44 3f6s h LEU 74 Ca 0.07 0.06 0.13 0.00 0.84 0.00 0.00 57.88 58.98 3f6s h LEU 74 Cb 0.18 0.27 -0.10 0.00 0.37 0.00 0.00 40.66 41.38 3f6s h LEU 74 CO -0.15 -0.51 0.09 0.15 -0.34 0.00 0.00 178.44 177.68 3f6s h PHE 75 N -0.80 0.13 0.00 1.25 3.57 -0.38 0.13 116.94 120.85 3f6s h PHE 75 Ca -0.05 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.49 3f6s h PHE 75 Cb 0.67 0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.45 3f6s h PHE 75 CO -0.13 -0.10 0.06 0.39 -2.23 0.00 0.00 178.31 176.30 3f6s n GLU 76 N -5.19 0.03 -1.50 1.11 1.02 0.19 -0.58 120.64 115.71 3f6s n GLU 76 Ca 0.10 0.49 -0.05 0.00 -0.02 0.00 0.00 57.16 57.68 3f6s n GLU 76 Cb 0.37 -1.66 0.10 0.00 -0.02 0.00 0.00 31.44 30.23 3f6s n GLU 76 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3f6s n GLU 77 N -1.63 2.04 0.13 3.49 1.02 0.45 -4.85 120.64 121.28 3f6s n GLU 77 Ca -0.00 -3.42 0.15 0.00 -0.02 0.00 0.00 57.16 53.87 3f6s n GLU 77 Cb 0.07 -1.59 0.70 0.00 -0.02 0.00 0.00 31.44 30.60 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 1.60 0.00 -0.01 -0.32 -1.00 -0.68 -2.25 116.94 114.29 3f6s h PHE 78 Ca 0.07 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.85 3f6s h PHE 78 Cb 1.35 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.91 3f6s h PHE 78 CO 0.67 0.00 0.00 -0.40 -1.61 0.00 0.00 178.31 176.97 3f6s n ASP 79 N -4.32 0.14 -0.01 2.17 5.68 -1.26 -2.83 116.55 116.11 3f6s n ASP 79 Ca 0.04 -1.16 0.10 0.00 -0.50 0.00 0.00 54.79 53.27 3f6s n ASP 79 Cb 0.38 -0.00 -0.15 0.00 -1.14 0.00 0.00 41.12 40.20 3f6s n ASP 79 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3f6s n ARG 80 N -0.84 0.60 -0.05 0.11 1.74 -0.85 -4.52 116.66 112.86 3f6s n ARG 80 Ca 0.21 -0.18 0.04 0.00 -0.77 0.00 0.00 57.85 57.15 3f6s n ARG 80 Cb 0.12 -1.47 0.39 0.00 -1.02 0.00 0.00 32.46 30.48 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 0.00 1.11 -0.93 0.55 2.04 -1.55 -0.31 117.51 118.42 3f6s h ILE 81 Ca -0.01 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.63 3f6s h ILE 81 Cb 0.93 0.41 0.00 0.00 -0.74 0.00 0.00 36.82 37.42 3f6s h ILE 81 CO 0.00 0.12 0.00 0.61 0.00 0.00 0.00 178.15 178.88 3f6s n GLY 82 N -1.47 0.62 0.04 5.37 0.00 -1.26 -1.18 105.19 107.32 3f6s n GLY 82 Ca 0.05 -0.30 0.14 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.47 0.28 -4.72 0.99 4.77 -1.26 -4.76 117.00 111.83 3f6s n LEU 83 Ca 0.00 0.20 -0.42 0.00 -0.03 0.00 0.00 56.01 55.76 3f6s n LEU 83 Cb 0.28 -0.32 -0.03 0.00 -2.33 0.00 0.00 43.42 41.02 3f6s n LEU 83 CO 0.00 0.06 1.14 0.00 -1.33 0.00 0.00 177.39 177.26 3f6s s ALA 84 N -2.80 3.67 0.00 -1.18 0.00 -1.20 -2.42 121.76 117.83 3f6s s ALA 84 Ca 0.19 1.25 0.00 0.00 0.00 0.00 0.00 51.96 53.40 3f6s s ALA 84 Cb 0.19 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.74 3f6s s ALA 84 CO 0.55 -0.70 0.00 0.41 0.00 0.00 0.00 175.76 176.03 3f6s n GLY 85 N 3.39 1.42 3.98 0.00 0.00 0.35 -4.88 105.19 109.44 3f6s n GLY 85 Ca 0.12 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.09 3.31 0.04 1.61 0.52 -1.02 -4.88 118.95 118.45 3f6s s ARG 86 Ca 0.00 -0.86 -0.21 0.00 -0.52 0.00 0.00 55.73 54.14 3f6s s ARG 86 Cb 0.00 -2.86 -0.06 0.00 0.52 0.00 0.00 34.95 32.55 3f6s s ARG 86 CO 0.00 0.28 0.61 0.15 0.02 0.00 0.00 175.30 176.37 3f6s s LYS 87 N -4.06 4.31 0.03 3.54 1.02 -0.68 -0.88 119.74 123.01 3f6s s LYS 87 Ca 0.38 0.79 0.01 0.00 0.02 0.00 0.00 55.97 57.18 3f6s s LYS 87 Cb -0.09 -3.30 -0.02 0.00 -0.52 0.00 0.00 37.83 33.90 3f6s s LYS 87 CO 0.30 0.47 -0.06 0.08 -0.92 0.00 0.00 175.35 175.23 3f6s s VAL 88 N -0.58 0.37 0.19 3.17 1.01 0.62 -0.66 120.40 124.52 3f6s s VAL 88 Ca 0.31 -0.88 -0.13 0.00 0.00 0.00 0.00 61.98 61.27 3f6s s VAL 88 Cb -0.19 -0.45 0.01 0.00 0.00 0.00 0.00 36.38 35.75 3f6s s VAL 88 CO 0.19 -0.35 0.42 0.00 0.00 0.00 0.00 175.10 175.36 3f6s s ALA 89 N -1.20 -0.47 -0.00 5.51 0.00 -1.08 -1.33 121.76 123.19 3f6s s ALA 89 Ca -0.10 -0.57 0.03 0.00 0.00 0.00 0.00 51.96 51.32 3f6s s ALA 89 Cb -0.09 0.87 -0.01 0.00 0.00 0.00 0.00 23.12 23.90 3f6s s ALA 89 CO -0.00 -0.74 -0.10 0.00 0.00 0.00 0.00 175.76 174.92 3f6s s ALA 90 N -3.93 0.81 0.16 0.00 0.00 -1.26 -0.95 121.76 116.59 3f6s s ALA 90 Ca 0.14 -0.46 0.01 0.00 0.00 0.00 0.00 51.96 51.64 3f6s s ALA 90 Cb 0.01 -0.18 -0.04 0.00 0.00 0.00 0.00 23.12 22.90 3f6s s ALA 90 CO -0.00 0.18 0.02 -0.59 0.00 0.00 0.00 175.76 175.37 3f6s s PHE 91 N -0.34 1.08 0.00 0.00 -0.71 -0.11 -0.69 117.98 117.21 3f6s s PHE 91 Ca 0.03 -1.09 -0.28 0.00 -1.04 0.00 0.00 56.93 54.54 3f6s s PHE 91 Cb -0.04 -0.61 0.08 0.00 -1.21 0.00 0.00 43.02 41.23 3f6s s PHE 91 CO -0.00 -0.32 0.72 0.00 -1.34 0.00 0.00 175.22 174.28 3f6s s ALA 92 N -3.79 -1.75 0.16 1.99 0.00 -0.51 -1.32 121.76 116.55 3f6s s ALA 92 Ca 0.23 1.07 0.08 0.00 0.00 0.00 0.00 51.96 53.35 3f6s s ALA 92 Cb 0.07 0.22 -0.04 0.00 0.00 0.00 0.00 23.12 23.37 3f6s s ALA 92 CO 0.03 -0.52 -0.08 0.45 0.00 0.00 0.00 175.76 175.64 3f6s s SER 93 N -1.79 4.38 0.00 0.00 0.15 -1.26 -2.64 113.70 112.53 3f6s s SER 93 Ca -0.04 -0.50 0.00 0.00 0.70 0.00 0.00 55.95 56.10 3f6s s SER 93 Cb -0.00 -0.80 0.00 0.00 -1.71 0.00 0.00 66.02 63.51 3f6s s SER 93 CO -0.00 0.12 0.00 0.61 1.20 0.00 0.00 173.24 175.17 3f6s n GLY 94 N 0.17 1.05 2.75 9.45 0.00 -0.80 -2.57 105.19 115.23 3f6s n GLY 94 Ca -0.11 -0.68 -0.17 0.00 0.00 0.00 0.00 46.02 45.07 3f6s n GLY 94 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3f6s s ASP 95 N 1.28 0.43 0.24 1.61 -1.08 -1.26 -4.08 116.67 113.81 3f6s s ASP 95 Ca 0.00 0.08 0.20 0.00 -0.52 0.00 0.00 52.55 52.32 3f6s s ASP 95 Cb 0.00 -0.06 0.95 0.00 -1.46 0.00 0.00 42.92 42.35 3f6s s ASP 95 CO 0.00 -0.17 1.62 0.00 0.52 0.00 0.00 175.17 177.14 3f6s n GLN 96 N 4.59 0.15 -0.07 4.34 1.13 -1.26 -2.17 117.38 124.09 3f6s n GLN 96 Ca -0.19 0.49 0.09 0.00 -1.94 0.00 0.00 57.00 55.45 3f6s n GLN 96 Cb 0.50 -1.84 0.37 0.00 0.11 0.00 0.00 30.24 29.38 3f6s n GLN 96 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 3f6s n GLU 97 N -2.13 1.51 -4.01 -1.09 1.02 -1.26 -4.75 120.64 109.93 3f6s n GLU 97 Ca 0.01 -0.77 -0.25 0.00 -0.02 0.00 0.00 57.16 56.13 3f6s n GLU 97 Cb 0.14 -1.33 -0.04 0.00 -0.02 0.00 0.00 31.44 30.19 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 -1.83 3.33 0.23 -0.32 1.51 -0.92 -5.03 117.35 114.32 3f6s s TYR 98 Ca 0.28 0.04 -0.04 0.00 -1.01 0.00 0.00 57.07 56.34 3f6s s TYR 98 Cb 0.15 -1.58 0.24 0.00 -0.11 0.00 0.00 41.96 40.65 3f6s s TYR 98 CO 0.22 0.51 1.69 1.49 -1.11 0.00 0.00 175.55 178.35 3f6s h GLU 99 N 2.12 0.81 -3.99 -0.62 4.81 -1.87 -3.38 114.58 112.47 3f6s h GLU 99 Ca -0.48 -0.27 -0.67 0.00 -0.13 0.00 0.00 59.36 57.80 3f6s h GLU 99 Cb 1.20 -0.07 -0.38 0.00 0.63 0.00 0.00 28.75 30.14 3f6s h GLU 99 CO 0.65 0.88 -0.56 -1.01 -0.73 0.00 0.00 179.01 178.25 3f6s s HIS 100 N -4.82 3.47 -0.57 0.92 3.76 -1.26 -5.06 115.29 111.73 3f6s s HIS 100 Ca -0.10 -2.85 -0.27 0.00 -0.15 0.00 0.00 55.06 51.69 3f6s s HIS 100 Cb 0.14 -3.04 0.03 0.00 1.11 0.00 0.00 32.58 30.82 3f6s s HIS 100 CO 0.83 -0.87 1.15 0.12 -0.85 0.00 0.00 174.74 175.11 3f6s s PHE 101 N 0.36 2.64 -1.29 1.40 5.36 -1.26 -3.92 117.98 121.27 3f6s s PHE 101 Ca 0.14 0.34 -0.07 0.00 -0.96 0.00 0.00 56.93 56.37 3f6s s PHE 101 Cb -0.22 -4.43 0.01 0.00 -0.34 0.00 0.00 43.02 38.03 3f6s s PHE 101 CO -0.04 -1.54 1.12 0.00 -1.46 0.00 0.00 175.22 173.30 3f6s h GLY 103 N -2.46 0.00 2.00 0.00 0.00 -1.94 -2.26 103.07 98.40 3f6s h GLY 103 Ca -0.56 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.75 3f6s h GLY 103 CO 0.53 0.00 -0.08 0.00 0.00 0.00 0.00 176.54 176.99 3f6s h ALA 104 N 1.40 1.20 0.66 3.60 0.00 -1.88 -3.21 119.26 121.04 3f6s h ALA 104 Ca 0.12 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3f6s h ALA 104 Cb 0.96 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.74 3f6s h ALA 104 CO -0.00 0.10 -0.32 0.28 0.00 0.00 0.00 179.25 179.31 3f6s h VAL 105 N 0.00 0.00 0.00 0.00 2.07 -1.72 -0.41 116.25 116.19 3f6s h VAL 105 Ca -0.00 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 3f6s h VAL 105 Cb 0.30 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.07 3f6s h VAL 105 CO 0.01 0.00 -0.09 1.55 0.02 0.00 0.00 177.57 179.06 3f6s h PRO 106 N -1.18 0.00 -0.38 1.57 0.13 -1.78 0.67 132.00 131.04 3f6s h PRO 106 Ca -0.09 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.88 3f6s h PRO 106 Cb 0.68 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.81 3f6s h PRO 106 CO 0.15 0.09 -0.39 0.00 -0.23 0.00 0.00 178.00 177.61 3f6s h ALA 107 N 1.91 0.56 -0.35 -0.56 0.00 -1.53 0.30 119.26 119.58 3f6s h ALA 107 Ca -0.00 -0.46 -0.07 0.00 0.00 0.00 0.00 54.91 54.38 3f6s h ALA 107 Cb 0.19 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3f6s h ALA 107 CO 0.01 0.67 -0.06 0.82 0.00 0.00 0.00 179.25 180.69 3f6s h ILE 108 N 0.75 1.27 -0.28 0.00 2.04 -0.40 -1.20 117.51 119.70 3f6s h ILE 108 Ca 0.06 -1.11 -0.01 0.00 1.00 0.00 0.00 64.86 64.80 3f6s h ILE 108 Cb 0.99 1.27 -0.01 0.00 -0.74 0.00 0.00 36.82 38.33 3f6s h ILE 108 CO 0.10 0.36 0.15 -0.33 0.00 0.00 0.00 178.15 178.44 3f6s h GLU 109 N 0.46 0.40 -0.12 2.37 5.08 -0.75 -2.05 114.58 119.98 3f6s h GLU 109 Ca 0.09 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.44 3f6s h GLU 109 Cb 0.56 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 3f6s h GLU 109 CO 0.03 0.35 -0.08 0.93 -1.00 0.00 0.00 179.01 179.24 3f6s h GLU 110 N 0.34 -0.08 -0.52 2.33 5.08 -0.37 -1.63 114.58 119.73 3f6s h GLU 110 Ca 0.10 0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.38 3f6s h GLU 110 Cb 0.07 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 3f6s h GLU 110 CO -0.02 -0.05 -0.01 -0.09 -1.00 0.00 0.00 179.01 177.84 3f6s h ARG 111 N -0.08 0.92 -0.44 2.33 9.65 -1.05 -1.31 114.38 124.40 3f6s h ARG 111 Ca 0.07 -0.30 -0.12 0.00 -1.10 0.00 0.00 59.98 58.53 3f6s h ARG 111 Cb 0.19 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 28.67 3f6s h ARG 111 CO -0.17 0.95 -0.20 0.00 2.80 0.00 0.00 179.97 183.35 3f6s h ALA 112 N 0.94 0.81 0.52 2.80 0.00 -1.29 -1.39 119.26 121.65 3f6s h ALA 112 Ca 0.15 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 3f6s h ALA 112 Cb 0.54 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3f6s h ALA 112 CO 0.03 0.65 -0.28 -0.22 0.00 0.00 0.00 179.25 179.43 3f6s h LYS 113 N 0.76 -0.72 -0.94 0.00 3.64 -1.13 0.96 116.57 119.14 3f6s h LYS 113 Ca 0.11 0.05 0.27 0.00 -1.27 0.00 0.00 60.65 59.80 3f6s h LYS 113 Cb 0.74 0.16 -0.17 0.00 -0.41 0.00 0.00 32.23 32.56 3f6s h LYS 113 CO 0.06 -0.48 0.13 0.93 -2.27 0.00 0.00 179.45 177.83 3f6s h GLU 114 N -0.74 0.06 -0.40 1.90 5.08 -1.07 -1.13 114.58 118.28 3f6s h GLU 114 Ca -0.07 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3f6s h GLU 114 Cb 0.59 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.82 3f6s h GLU 114 CO 0.09 0.04 0.00 1.28 -1.00 0.00 0.00 179.01 179.43 3f6s n LEU 115 N -5.39 1.38 0.00 1.33 4.77 -0.54 -4.86 117.00 113.70 3f6s n LEU 115 Ca 0.24 -0.70 0.00 0.00 -0.03 0.00 0.00 56.01 55.52 3f6s n LEU 115 Cb 0.78 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 3f6s n LEU 115 CO -0.02 0.28 0.00 0.61 -1.33 0.00 0.00 177.39 176.94 3f6s n GLY 116 N 0.61 0.78 3.91 -0.72 0.00 -0.43 -3.23 105.19 106.10 3f6s n GLY 116 Ca 0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.04 3.07 -0.16 4.61 0.00 0.30 -0.50 121.76 127.05 3f6s s ALA 117 Ca 0.00 -0.62 -0.01 0.00 0.00 0.00 0.00 51.96 51.33 3f6s s ALA 117 Cb 0.00 -2.78 -0.01 0.00 0.00 0.00 0.00 23.12 20.33 3f6s s ALA 117 CO 0.00 -1.10 -0.11 0.99 0.00 0.00 0.00 175.76 175.54 3f6s s THR 118 N -3.22 3.00 -0.48 0.00 2.01 -0.06 -4.42 115.64 112.47 3f6s s THR 118 Ca 0.57 -0.65 -0.25 0.00 0.31 0.00 0.00 61.69 61.67 3f6s s THR 118 Cb -0.11 -2.29 0.03 0.00 0.01 0.00 0.00 72.50 70.14 3f6s s THR 118 CO 0.48 0.50 0.94 -0.63 -0.69 0.00 0.00 174.62 175.21 3f6s s ILE 119 N 0.82 4.44 -1.58 1.82 -1.09 -1.26 -0.28 121.20 124.08 3f6s s ILE 119 Ca -0.04 0.69 0.24 0.00 -2.23 0.00 0.00 60.65 59.30 3f6s s ILE 119 Cb -0.15 -4.46 0.03 0.00 -1.58 0.00 0.00 42.46 36.30 3f6s s ILE 119 CO 0.01 -0.89 1.24 2.30 -1.23 0.00 0.00 174.94 176.36 3f6s n ILE 120 N 6.40 0.00 -3.78 2.92 -5.35 -0.44 -4.92 119.36 114.20 3f6s n ILE 120 Ca 0.06 -0.13 -0.09 0.00 -0.27 0.00 0.00 62.75 62.32 3f6s n ILE 120 Cb 0.48 0.80 -0.06 0.00 -1.74 0.00 0.00 39.64 39.12 3f6s n ILE 120 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3f6s s ALA 121 N -2.68 -0.49 -0.06 -1.28 0.00 -1.26 -4.63 121.76 111.36 3f6s s ALA 121 Ca 0.17 -0.41 -0.30 0.00 0.00 0.00 0.00 51.96 51.42 3f6s s ALA 121 Cb 0.18 0.59 -0.03 0.00 0.00 0.00 0.00 23.12 23.86 3f6s s ALA 121 CO 0.64 -0.57 1.18 -2.00 0.00 0.00 0.00 175.76 175.01 3f6s s GLU 122 N -3.85 4.36 0.15 0.00 2.12 -1.26 -4.80 118.70 115.42 3f6s s GLU 122 Ca 0.05 1.64 -0.34 0.00 0.36 0.00 0.00 54.97 56.69 3f6s s GLU 122 Cb 0.04 -3.55 -0.16 0.00 0.26 0.00 0.00 34.13 30.71 3f6s s GLU 122 CO -0.11 -0.43 1.18 0.41 -0.54 0.00 0.00 175.26 175.78 3f6s n GLY 123 N 3.33 0.08 3.67 -1.50 0.00 -1.26 -4.92 105.19 104.60 3f6s n GLY 123 Ca 0.11 0.57 -0.42 0.00 0.00 0.00 0.00 46.02 46.28 3f6s n GLY 123 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3f6s s LEU 124 N 0.65 4.16 -0.12 0.99 2.96 0.13 -4.98 118.68 122.47 3f6s s LEU 124 Ca 0.76 1.37 0.01 0.00 -0.22 0.00 0.00 54.13 56.05 3f6s s LEU 124 Cb -0.89 -3.46 0.02 0.00 0.50 0.00 0.00 46.19 42.35 3f6s s LEU 124 CO 0.51 -0.53 -0.14 -0.54 -1.32 0.00 0.00 176.35 174.33 3f6s s LYS 125 N 2.56 2.21 0.37 1.98 1.02 -1.26 -1.42 119.74 125.20 3f6s s LYS 125 Ca 0.44 -0.54 -0.07 0.00 0.02 0.00 0.00 55.97 55.82 3f6s s LYS 125 Cb -0.16 -1.95 0.03 0.00 -0.52 0.00 0.00 37.83 35.22 3f6s s LYS 125 CO 0.11 -0.14 0.61 0.00 -0.92 0.00 0.00 175.35 175.01 3f6s s MET 126 N 1.21 2.09 0.19 1.68 0.23 -1.08 -5.01 119.30 118.60 3f6s s MET 126 Ca -0.02 -1.69 0.08 0.00 -1.03 0.00 0.00 55.69 53.04 3f6s s MET 126 Cb -0.14 0.52 -0.04 0.00 -1.53 0.00 0.00 34.83 33.64 3f6s s MET 126 CO -0.05 -0.92 -0.04 -1.21 -2.03 0.00 0.00 175.02 170.77 3f6s s GLU 127 N -2.63 2.25 3.05 3.16 2.02 -1.26 -1.91 118.70 123.38 3f6s s GLU 127 Ca 0.25 -1.21 0.00 0.00 0.02 0.00 0.00 54.97 54.03 3f6s s GLU 127 Cb -0.02 -2.25 0.00 0.00 0.10 0.00 0.00 34.13 31.95 3f6s s GLU 127 CO 0.18 0.44 0.00 0.41 0.02 0.00 0.00 175.26 176.31 3f6s n GLY 128 N -0.15 0.42 4.00 -1.39 0.00 -1.26 -4.57 105.19 102.25 3f6s n GLY 128 Ca -0.10 -0.89 -0.20 0.00 0.00 0.00 0.00 46.02 44.83 3f6s n GLY 128 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3f6s s ASP 129 N -4.00 5.04 0.32 1.61 3.84 -1.26 -4.71 116.67 117.51 3f6s s ASP 129 Ca 0.00 -0.45 0.10 0.00 -0.00 0.00 0.00 52.55 52.20 3f6s s ASP 129 Cb 0.00 -0.24 0.92 0.00 -1.38 0.00 0.00 42.92 42.22 3f6s s ASP 129 CO 0.00 -1.33 1.68 0.00 -0.00 0.00 0.00 175.17 175.53 3f6s h ALA 130 N 0.05 1.72 0.00 2.11 0.00 -1.80 0.24 119.26 121.58 3f6s h ALA 130 Ca -0.36 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 3f6s h ALA 130 Cb 1.28 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.22 3f6s h ALA 130 CO 0.44 -0.44 -0.04 0.66 0.00 0.00 0.00 179.25 179.86 3f6s h SER 131 N 0.38 0.00 0.50 0.00 4.64 -1.93 -1.64 113.55 115.50 3f6s h SER 131 Ca 0.65 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.86 3f6s h SER 131 Cb 1.37 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.45 3f6s h SER 131 CO -0.57 0.04 -0.53 -1.13 -0.87 0.00 0.00 176.83 173.77 3f6s h ASN 132 N 0.00 0.04 -1.32 4.97 -1.24 -0.81 -3.38 115.58 113.84 3f6s h ASN 132 Ca -0.00 -0.02 -0.44 0.00 0.71 0.00 0.00 56.30 56.55 3f6s h ASN 132 Cb 0.46 -0.01 -0.30 0.00 0.73 0.00 0.00 38.32 39.20 3f6s h ASN 132 CO 0.01 0.57 -0.89 -0.67 -1.29 0.00 0.00 177.43 175.16 3f6s n ASP 133 N -3.91 -0.95 -0.33 1.15 -0.08 -0.66 -5.00 116.55 106.77 3f6s n ASP 133 Ca -0.01 -2.90 -0.01 0.00 -1.51 0.00 0.00 54.79 50.36 3f6s n ASP 133 Cb 0.55 0.24 0.12 0.00 2.34 0.00 0.00 41.12 44.37 3f6s n ASP 133 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3f6s h PRO 134 N 4.06 1.12 -0.27 -0.67 0.13 -1.64 -2.28 132.00 132.45 3f6s h PRO 134 Ca 0.00 -0.07 -0.16 0.00 -0.87 0.00 0.00 66.00 64.91 3f6s h PRO 134 Cb 0.94 -0.25 -0.01 0.00 0.13 0.00 0.00 31.00 31.81 3f6s h PRO 134 CO 0.41 0.74 -0.46 0.93 -0.23 0.00 0.00 178.00 179.39 3f6s h GLU 135 N 1.15 0.70 -0.43 0.86 5.08 -1.94 0.48 114.58 120.48 3f6s h GLU 135 Ca 0.36 -0.39 -0.05 0.00 -1.00 0.00 0.00 59.36 58.28 3f6s h GLU 135 Cb -0.02 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 3f6s h GLU 135 CO -0.11 1.01 0.09 0.00 -1.00 0.00 0.00 179.01 178.99 3f6s h ALA 136 N 0.92 0.56 -0.33 3.43 0.00 -1.93 0.49 119.26 122.40 3f6s h ALA 136 Ca 0.03 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 3f6s h ALA 136 Cb 1.01 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 3f6s h ALA 136 CO 0.10 0.26 0.02 0.28 0.00 0.00 0.00 179.25 179.91 3f6s h VAL 137 N 0.56 1.25 -0.24 0.00 2.07 -1.30 -2.62 116.25 115.97 3f6s h VAL 137 Ca 0.13 -0.91 -0.10 0.00 0.82 0.00 0.00 66.70 66.65 3f6s h VAL 137 Cb 0.35 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 3f6s h VAL 137 CO 0.01 0.30 -0.27 0.00 0.02 0.00 0.00 177.57 177.63 3f6s h ALA 138 N 0.87 1.10 0.60 1.67 0.00 -0.81 -1.56 119.26 121.12 3f6s h ALA 138 Ca 0.10 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 3f6s h ALA 138 Cb 0.41 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3f6s h ALA 138 CO 0.01 0.56 -0.49 1.03 0.00 0.00 0.00 179.25 180.36 3f6s h SER 139 N 0.41 -1.31 -0.77 0.00 0.87 -0.82 -1.63 113.55 110.29 3f6s h SER 139 Ca 0.06 0.09 0.15 0.00 -1.23 0.00 0.00 61.79 60.87 3f6s h SER 139 Cb 0.68 0.42 -0.15 0.00 -0.44 0.00 0.00 62.40 62.91 3f6s h SER 139 CO 0.05 -0.69 -0.21 0.15 -0.53 0.00 0.00 176.83 175.60 3f6s h PHE 140 N -1.06 -0.47 -0.67 2.24 3.57 -1.10 -0.51 116.94 118.93 3f6s h PHE 140 Ca -0.08 0.07 -0.05 0.00 3.53 0.00 0.00 57.97 61.44 3f6s h PHE 140 Cb 0.90 0.33 -0.03 0.00 2.79 0.00 0.00 35.95 39.93 3f6s h PHE 140 CO -0.20 -0.34 0.21 0.00 -2.23 0.00 0.00 178.31 175.75 3f6s h ALA 141 N 1.72 1.10 -0.41 2.41 0.00 -1.16 -0.67 119.26 122.25 3f6s h ALA 141 Ca 0.36 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 3f6s h ALA 141 Cb 0.57 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3f6s h ALA 141 CO -0.80 0.61 0.10 1.49 0.00 0.00 0.00 179.25 180.65 3f6s h GLU 142 N 0.99 0.65 -0.56 0.00 4.81 -0.21 0.23 114.58 120.50 3f6s h GLU 142 Ca 0.22 -0.16 0.06 0.00 -0.13 0.00 0.00 59.36 59.35 3f6s h GLU 142 Cb 0.28 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 29.52 3f6s h GLU 142 CO -0.01 0.67 0.27 -0.44 -0.73 0.00 0.00 179.01 178.77 3f6s h ASP 143 N 0.52 0.36 -0.11 1.04 5.19 -0.69 -0.89 116.42 121.85 3f6s h ASP 143 Ca 0.13 0.04 -0.01 0.00 -0.62 0.00 0.00 57.03 56.57 3f6s h ASP 143 Cb 0.31 -0.02 -0.00 0.00 0.18 0.00 0.00 39.33 39.79 3f6s h ASP 143 CO 0.00 0.24 0.04 0.58 -3.12 0.00 0.00 179.24 176.98 3f6s h VAL 144 N 0.51 1.17 0.00 -1.35 2.07 -0.89 -3.09 116.25 114.67 3f6s h VAL 144 Ca 0.26 -0.52 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 3f6s h VAL 144 Cb 0.20 1.32 -0.00 0.00 -1.52 0.00 0.00 31.29 31.29 3f6s h VAL 144 CO -0.20 0.15 -0.04 -0.07 0.02 0.00 0.00 177.57 177.43 3f6s h LEU 145 N -0.01 0.00 -1.26 2.57 3.38 0.01 0.25 115.31 120.26 3f6s h LEU 145 Ca 0.04 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 3f6s h LEU 145 Cb 0.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3f6s h LEU 145 CO -0.00 0.04 -0.31 0.11 0.09 0.00 0.00 178.44 178.37 3f6s h LYS 146 N 0.00 0.00 -0.01 1.13 1.79 -1.09 -3.18 116.57 115.22 3f6s h LYS 146 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3f6s h LYS 146 Cb 0.12 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.77 3f6s h LYS 146 CO 0.01 0.31 -0.67 1.04 -1.08 0.00 0.00 179.45 179.05 3f6s n GLN 147 N -3.71 0.55 0.00 3.15 1.13 0.05 -5.13 117.38 113.43 3f6s n GLN 147 Ca -0.01 -0.44 0.14 0.00 -1.94 0.00 0.00 57.00 54.76 3f6s n GLN 147 Cb 0.42 -1.49 0.61 0.00 0.11 0.00 0.00 30.24 29.89 3f6s n GLN 147 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90