#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 3.72 -0.11 1.43 1.02 -1.26 -1.87 119.74 122.67 3f6s s LYS 3 Ca 0.00 -0.48 0.04 0.00 0.02 0.00 0.00 55.97 55.54 3f6s s LYS 3 Cb 0.00 -3.02 0.00 0.00 -0.52 0.00 0.00 37.83 34.29 3f6s s LYS 3 CO 0.00 0.18 -0.23 0.08 -0.92 0.00 0.00 175.35 174.46 3f6s s VAL 4 N 0.55 2.07 -0.23 3.17 1.01 -0.33 -0.72 120.40 125.92 3f6s s VAL 4 Ca -0.01 -1.01 -0.08 0.00 0.00 0.00 0.00 61.98 60.88 3f6s s VAL 4 Cb -0.14 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.41 3f6s s VAL 4 CO 0.02 0.56 0.08 -0.22 0.00 0.00 0.00 175.10 175.54 3f6s s LEU 5 N 0.44 3.66 -0.40 3.92 2.96 -0.53 -0.29 118.68 128.44 3f6s s LEU 5 Ca -0.16 -0.07 -0.08 0.00 -0.22 0.00 0.00 54.13 53.59 3f6s s LEU 5 Cb -0.17 -1.96 0.07 0.00 0.50 0.00 0.00 46.19 44.62 3f6s s LEU 5 CO 0.07 0.04 0.23 -0.63 -1.32 0.00 0.00 176.35 174.74 3f6s s ILE 6 N 1.15 4.10 -0.17 6.68 1.01 0.48 0.51 121.20 134.97 3f6s s ILE 6 Ca 0.05 -1.38 -0.07 0.00 0.00 0.00 0.00 60.65 59.24 3f6s s ILE 6 Cb -0.14 -3.50 -0.04 0.00 0.01 0.00 0.00 42.46 38.79 3f6s s ILE 6 CO 0.04 -0.46 0.09 -0.69 0.00 0.00 0.00 174.94 173.91 3f6s s VAL 7 N 1.41 5.01 0.05 2.92 1.01 -0.15 -0.44 120.40 130.22 3f6s s VAL 7 Ca 0.03 0.04 0.03 0.00 0.00 0.00 0.00 61.98 62.07 3f6s s VAL 7 Cb -0.22 -3.24 -0.03 0.00 0.00 0.00 0.00 36.38 32.89 3f6s s VAL 7 CO 0.02 0.50 -0.09 0.72 0.00 0.00 0.00 175.10 176.25 3f6s s PHE 8 N 0.02 0.79 -0.23 5.22 -0.12 -0.78 0.22 117.98 123.10 3f6s s PHE 8 Ca 0.07 -0.54 -0.02 0.00 -0.05 0.00 0.00 56.93 56.38 3f6s s PHE 8 Cb -0.12 -0.46 0.01 0.00 -0.63 0.00 0.00 43.02 41.82 3f6s s PHE 8 CO 0.00 -0.07 -0.07 0.20 -0.05 0.00 0.00 175.22 175.23 3f6s s GLY 9 N -1.79 1.58 -0.03 1.99 0.00 -0.38 -0.78 107.32 107.91 3f6s s GLY 9 Ca -0.06 -1.30 0.01 0.00 0.00 0.00 0.00 44.72 43.37 3f6s s GLY 9 CO 0.00 0.44 -0.02 -0.45 0.00 0.00 0.00 173.10 173.08 3f6s s SER 10 N 1.39 0.53 -0.03 1.64 0.15 -1.26 -3.09 113.70 113.03 3f6s s SER 10 Ca 0.03 -0.06 0.15 0.00 0.70 0.00 0.00 55.95 56.77 3f6s s SER 10 Cb -0.15 -0.24 -0.23 0.00 -1.71 0.00 0.00 66.02 63.70 3f6s s SER 10 CO -0.05 -0.06 0.31 -1.20 1.20 0.00 0.00 173.24 173.44 3f6s n SER 11 N 3.87 1.63 -0.15 5.45 7.64 -1.26 -4.56 113.62 126.24 3f6s n SER 11 Ca -0.24 0.00 0.03 0.00 1.01 0.00 0.00 58.87 59.67 3f6s n SER 11 Cb 0.52 1.64 0.04 0.00 -1.01 0.00 0.00 64.21 65.40 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 -2.04 0.82 -0.53 0.44 -2.24 -1.26 -5.01 114.28 104.45 3f6s n THR 12 Ca -0.04 -0.93 0.00 0.00 -2.27 0.00 0.00 64.05 60.81 3f6s n THR 12 Cb 0.41 0.37 0.00 0.00 -2.10 0.00 0.00 70.33 69.01 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 -0.56 1.16 0.34 3.38 0.00 -1.26 -4.95 105.19 103.30 3f6s n GLY 13 Ca 0.05 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.70 -0.41 1.61 2.35 -1.95 0.40 115.58 116.89 3f6s h ASN 14 Ca 0.00 -0.03 -0.08 0.00 -0.55 0.00 0.00 56.30 55.64 3f6s h ASN 14 Cb 0.00 0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.53 3f6s h ASN 14 CO 0.00 -0.36 -0.04 0.74 -1.65 0.00 0.00 177.43 176.12 3f6s h THR 15 N -1.05 1.25 -0.56 2.81 2.02 -1.88 -1.59 112.91 113.91 3f6s h THR 15 Ca -0.08 -1.08 0.10 0.00 0.77 0.00 0.00 66.41 66.12 3f6s h THR 15 Cb 0.68 0.92 -0.08 0.00 -1.74 0.00 0.00 68.15 67.93 3f6s h THR 15 CO 0.14 0.38 0.09 -0.08 0.37 0.00 0.00 175.52 176.42 3f6s h GLU 16 N 0.76 0.21 0.23 6.66 4.81 -1.86 -0.41 114.58 124.98 3f6s h GLU 16 Ca 0.14 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.37 3f6s h GLU 16 Cb 0.51 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.81 3f6s h GLU 16 CO 0.03 0.14 -0.43 1.03 -0.73 0.00 0.00 179.01 179.05 3f6s h SER 17 N 0.22 -1.23 -0.89 1.04 0.87 -0.13 -1.36 113.55 112.08 3f6s h SER 17 Ca 0.29 0.13 0.16 0.00 -1.23 0.00 0.00 61.79 61.13 3f6s h SER 17 Cb 0.42 0.45 -0.10 0.00 -0.44 0.00 0.00 62.40 62.73 3f6s h SER 17 CO -0.39 -0.53 0.47 0.40 -0.53 0.00 0.00 176.83 176.25 3f6s h ILE 18 N -0.74 0.70 -0.78 2.23 2.04 -0.99 -1.21 117.51 118.76 3f6s h ILE 18 Ca -0.00 -0.22 -0.02 0.00 1.00 0.00 0.00 64.86 65.62 3f6s h ILE 18 Cb 0.72 0.01 -0.04 0.00 -0.74 0.00 0.00 36.82 36.77 3f6s h ILE 18 CO -0.18 0.12 0.41 0.00 0.00 0.00 0.00 178.15 178.49 3f6s h ALA 19 N 1.59 1.25 -0.19 1.87 0.00 -0.62 0.83 119.26 123.98 3f6s h ALA 19 Ca 0.50 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.24 3f6s h ALA 19 Cb 0.74 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3f6s h ALA 19 CO -0.38 0.60 -0.01 1.96 0.00 0.00 0.00 179.25 181.41 3f6s h GLN 20 N 1.10 0.35 -0.07 0.00 4.20 -0.16 -2.00 115.11 118.53 3f6s h GLN 20 Ca 0.27 -0.12 0.02 0.00 0.06 0.00 0.00 58.65 58.89 3f6s h GLN 20 Cb 0.05 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 3f6s h GLN 20 CO -0.04 0.57 -0.05 -0.22 -0.67 0.00 0.00 178.83 178.41 3f6s h LYS 21 N 0.10 -0.06 -0.14 1.46 1.63 -0.95 0.00 116.57 118.61 3f6s h LYS 21 Ca 0.05 0.00 0.04 0.00 -0.85 0.00 0.00 60.65 59.90 3f6s h LYS 21 Cb 0.42 0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 32.02 3f6s h LYS 21 CO 0.01 -0.04 -0.13 -0.07 -3.45 0.00 0.00 179.45 175.77 3f6s h LEU 22 N -0.06 -0.41 -0.81 5.20 3.38 -0.85 0.15 115.31 121.91 3f6s h LEU 22 Ca 0.05 0.08 0.17 0.00 0.09 0.00 0.00 57.88 58.27 3f6s h LEU 22 Cb 0.13 0.20 -0.11 0.00 0.09 0.00 0.00 40.66 40.98 3f6s h LEU 22 CO -0.11 -0.17 0.32 -0.08 0.09 0.00 0.00 178.44 178.48 3f6s h GLU 23 N -0.15 0.40 0.49 1.13 4.81 -0.90 0.21 114.58 120.57 3f6s h GLU 23 Ca 0.09 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.28 3f6s h GLU 23 Cb 0.29 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.58 3f6s h GLU 23 CO -0.23 0.26 -0.23 1.49 -0.73 0.00 0.00 179.01 179.57 3f6s h GLU 24 N 0.41 -0.63 -0.96 1.92 4.81 0.69 0.00 114.58 120.82 3f6s h GLU 24 Ca 0.47 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.74 3f6s h GLU 24 Cb 0.78 0.14 -0.05 0.00 0.63 0.00 0.00 28.75 30.26 3f6s h GLU 24 CO -0.46 -0.39 0.61 -0.07 -0.73 0.00 0.00 179.01 177.96 3f6s h LEU 25 N -0.71 1.13 -0.26 1.64 3.38 -0.22 -1.99 115.31 118.28 3f6s h LEU 25 Ca -0.07 -0.05 -0.19 0.00 0.09 0.00 0.00 57.88 57.66 3f6s h LEU 25 Cb 0.53 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 3f6s h LEU 25 CO 0.11 0.84 -0.89 0.40 0.09 0.00 0.00 178.44 179.00 3f6s h ILE 26 N 1.31 1.57 -0.13 1.22 2.04 -0.50 -2.83 117.51 120.19 3f6s h ILE 26 Ca 0.35 -2.84 -0.14 0.00 1.00 0.00 0.00 64.86 63.22 3f6s h ILE 26 Cb -0.10 2.57 -0.01 0.00 -0.74 0.00 0.00 36.82 38.54 3f6s h ILE 26 CO -0.07 0.82 -0.54 0.00 0.00 0.00 0.00 178.15 178.36 3f6s h ALA 27 N 1.05 0.83 0.00 1.87 0.00 -0.84 -2.28 119.26 119.89 3f6s h ALA 27 Ca -0.03 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.38 3f6s h ALA 27 Cb 1.54 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.24 3f6s h ALA 27 CO 0.12 0.69 0.00 0.00 0.00 0.00 0.00 179.25 180.06 3f6s n ALA 28 N -2.49 1.39 1.31 0.00 0.00 -0.76 -0.95 120.51 119.01 3f6s n ALA 28 Ca -0.02 0.08 0.13 0.00 0.00 0.00 0.00 53.44 53.63 3f6s n ALA 28 Cb 0.58 -1.28 0.43 0.00 0.00 0.00 0.00 19.45 19.18 3f6s n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3f6s n GLY 29 N -0.59 -0.50 0.00 0.00 0.00 -0.86 -4.93 105.19 98.31 3f6s n GLY 29 Ca 0.01 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 1.30 0.83 3.95 -0.02 0.00 -0.12 -5.09 105.19 106.04 3f6s n GLY 30 Ca 0.14 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.91 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 3.48 -0.13 1.61 4.02 -1.18 -4.76 115.29 116.32 3f6s s HIS 31 Ca 0.00 0.11 -0.26 0.00 1.02 0.00 0.00 55.06 55.93 3f6s s HIS 31 Cb 0.00 -1.66 -0.02 0.00 -1.02 0.00 0.00 32.58 29.88 3f6s s HIS 31 CO 0.00 0.48 0.83 -1.21 1.02 0.00 0.00 174.74 175.86 3f6s s GLU 32 N -3.44 4.36 -0.03 1.40 8.01 -0.78 -4.34 118.70 123.87 3f6s s GLU 32 Ca 0.35 1.05 0.07 0.00 0.01 0.00 0.00 54.97 56.45 3f6s s GLU 32 Cb -0.11 -3.54 -0.02 0.00 -4.31 0.00 0.00 34.13 26.16 3f6s s GLU 32 CO 0.29 -0.23 -0.24 0.08 0.01 0.00 0.00 175.26 175.17 3f6s s VAL 33 N 1.78 2.21 -0.10 2.63 1.01 -1.26 -1.19 120.40 125.48 3f6s s VAL 33 Ca 0.40 -1.04 0.04 0.00 0.00 0.00 0.00 61.98 61.37 3f6s s VAL 33 Cb -0.17 -1.78 -0.00 0.00 0.00 0.00 0.00 36.38 34.42 3f6s s VAL 33 CO 0.15 0.58 -0.22 -0.89 0.00 0.00 0.00 175.10 174.72 3f6s s THR 34 N -0.56 2.23 -0.18 3.92 2.01 0.61 -4.96 115.64 118.70 3f6s s THR 34 Ca 0.08 -0.97 -0.07 0.00 0.31 0.00 0.00 61.69 61.05 3f6s s THR 34 Cb -0.11 -1.86 -0.04 0.00 0.01 0.00 0.00 72.50 70.51 3f6s s THR 34 CO -0.00 0.56 0.04 -0.22 -0.69 0.00 0.00 174.62 174.30 3f6s s LEU 35 N 0.26 3.64 -0.05 4.42 2.96 -1.26 -0.39 118.68 128.26 3f6s s LEU 35 Ca -0.15 0.00 0.00 0.00 -0.22 0.00 0.00 54.13 53.76 3f6s s LEU 35 Cb -0.17 -1.92 0.02 0.00 0.50 0.00 0.00 46.19 44.63 3f6s s LEU 35 CO 0.08 0.15 -0.02 -0.22 -1.32 0.00 0.00 176.35 175.01 3f6s s LEU 36 N 0.50 1.04 0.13 -0.68 0.20 0.42 -4.95 118.68 115.34 3f6s s LEU 36 Ca 0.02 -0.10 -0.30 0.00 0.69 0.00 0.00 54.13 54.43 3f6s s LEU 36 Cb -0.13 -0.42 -0.07 0.00 -0.43 0.00 0.00 46.19 45.14 3f6s s LEU 36 CO 0.01 -0.11 1.10 0.21 -0.29 0.00 0.00 176.35 177.27 3f6s s ASN 37 N 1.32 7.26 0.54 3.68 3.84 -1.26 -1.86 114.94 128.45 3f6s s ASN 37 Ca -0.05 2.00 0.31 0.00 0.21 0.00 0.00 52.86 55.33 3f6s s ASN 37 Cb -0.13 -2.59 1.51 0.00 -0.55 0.00 0.00 41.25 39.48 3f6s s ASN 37 CO -0.02 -0.26 2.07 0.00 -2.79 0.00 0.00 177.10 176.09 3f6s h ALA 38 N 5.70 1.16 0.00 1.71 0.00 -1.29 0.29 119.26 126.84 3f6s h ALA 38 Ca -0.43 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3f6s h ALA 38 Cb 1.21 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3f6s h ALA 38 CO 0.75 0.12 0.00 0.00 0.00 0.00 0.00 179.25 180.11 3f6s h ALA 39 N 1.91 1.00 -0.01 0.00 0.00 -1.80 -2.87 119.26 117.49 3f6s h ALA 39 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3f6s h ALA 39 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3f6s h ALA 39 CO 0.01 0.00 -0.23 -0.25 0.00 0.00 0.00 179.25 178.78 3f6s n ASP 40 N -2.45 1.19 -4.81 0.00 8.00 0.06 -5.02 116.55 113.53 3f6s n ASP 40 Ca 0.01 -1.10 -0.39 0.00 0.71 0.00 0.00 54.79 54.03 3f6s n ASP 40 Cb 0.21 0.50 -0.06 0.00 -0.02 0.00 0.00 41.12 41.74 3f6s n ASP 40 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3f6s s ALA 41 N -1.41 3.57 -0.24 2.24 0.00 -1.03 -5.00 121.76 119.89 3f6s s ALA 41 Ca 0.08 0.07 -0.07 0.00 0.00 0.00 0.00 51.96 52.04 3f6s s ALA 41 Cb 0.08 -2.67 -0.03 0.00 0.00 0.00 0.00 23.12 20.51 3f6s s ALA 41 CO 0.27 0.38 0.06 -1.12 0.00 0.00 0.00 175.76 175.34 3f6s s SER 42 N -1.07 5.04 0.25 0.00 0.01 -1.26 -4.99 113.70 111.68 3f6s s SER 42 Ca 0.30 -0.22 -0.03 0.00 1.31 0.00 0.00 55.95 57.30 3f6s s SER 42 Cb -0.20 -1.90 0.44 0.00 0.21 0.00 0.00 66.02 64.57 3f6s s SER 42 CO 0.20 -0.03 1.80 0.00 0.41 0.00 0.00 173.24 175.62 3f6s h ALA 43 N 8.19 1.23 -0.93 1.44 0.00 -1.92 -3.38 119.26 123.89 3f6s h ALA 43 Ca -0.39 0.04 -0.68 0.00 0.00 0.00 0.00 54.91 53.89 3f6s h ALA 43 Cb 1.17 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 3f6s h ALA 43 CO 0.58 0.06 1.42 -1.91 0.00 0.00 0.00 179.25 179.40 3f6s n GLU 44 N -4.76 0.91 -1.39 0.00 4.07 -1.26 -1.09 120.64 117.12 3f6s n GLU 44 Ca 0.15 0.24 -0.13 0.00 -0.06 0.00 0.00 57.16 57.35 3f6s n GLU 44 Cb 0.32 -2.33 -0.06 0.00 -0.06 0.00 0.00 31.44 29.31 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 9.66 -5.08 -0.10 4.31 3.02 0.11 -4.87 115.26 122.31 3f6s n ASN 45 Ca 0.44 0.33 0.22 0.00 -0.03 0.00 0.00 54.58 55.54 3f6s n ASN 45 Cb 0.19 -3.76 0.66 0.00 -0.61 0.00 0.00 39.78 36.26 3f6s n ASN 45 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 3f6s h LEU 46 N 0.00 0.09 -0.47 3.41 5.85 -0.87 -1.27 115.31 122.05 3f6s h LEU 46 Ca -0.28 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.45 3f6s h LEU 46 Cb 1.03 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.05 3f6s h LEU 46 CO 0.40 0.04 -0.24 0.00 -0.34 0.00 0.00 178.44 178.31 3f6s n ALA 47 N -2.64 3.03 -1.69 1.25 0.00 -0.42 -4.92 120.51 115.12 3f6s n ALA 47 Ca 0.14 -0.39 -0.56 0.00 0.00 0.00 0.00 53.44 52.64 3f6s n ALA 47 Cb 0.72 -1.16 -0.07 0.00 0.00 0.00 0.00 19.45 18.95 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 -0.68 2.42 0.00 0.00 9.92 -0.48 -1.68 116.55 126.05 3f6s n ASP 48 Ca 0.12 1.07 0.00 0.00 -0.53 0.00 0.00 54.79 55.45 3f6s n ASP 48 Cb 0.34 -1.18 0.00 0.00 -0.64 0.00 0.00 41.12 39.65 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 4.01 2.59 3.83 0.44 0.00 -1.26 -5.05 105.19 109.75 3f6s n GLY 49 Ca 0.25 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.46 3.71 0.02 1.61 1.51 -0.68 -4.79 117.35 116.27 3f6s s TYR 50 Ca 0.00 1.10 -0.06 0.00 -1.01 0.00 0.00 57.07 57.10 3f6s s TYR 50 Cb 0.00 -2.38 -0.29 0.00 -0.11 0.00 0.00 41.96 39.18 3f6s s TYR 50 CO 0.00 0.55 0.93 -0.44 -1.11 0.00 0.00 175.55 175.49 3f6s h ASP 51 N 4.24 0.49 -4.79 2.29 3.32 -1.24 -3.47 116.42 117.25 3f6s h ASP 51 Ca -0.50 -0.61 -0.21 0.00 0.02 0.00 0.00 57.03 55.73 3f6s h ASP 51 Cb 1.21 -0.16 -0.22 0.00 0.22 0.00 0.00 39.33 40.38 3f6s h ASP 51 CO 0.64 1.50 -0.71 0.00 -1.72 0.00 0.00 179.24 178.94 3f6s s ALA 52 N -2.62 0.26 -0.11 3.45 0.00 -0.78 -2.07 121.76 119.90 3f6s s ALA 52 Ca -0.08 -0.59 0.01 0.00 0.00 0.00 0.00 51.96 51.29 3f6s s ALA 52 Cb 0.06 0.10 0.02 0.00 0.00 0.00 0.00 23.12 23.30 3f6s s ALA 52 CO 0.87 -0.10 -0.11 0.08 0.00 0.00 0.00 175.76 176.51 3f6s s VAL 53 N -1.28 1.19 -0.20 0.00 1.01 0.22 -1.45 120.40 119.88 3f6s s VAL 53 Ca -0.12 -0.43 -0.07 0.00 0.00 0.00 0.00 61.98 61.36 3f6s s VAL 53 Cb -0.09 -1.15 -0.03 0.00 0.00 0.00 0.00 36.38 35.11 3f6s s VAL 53 CO -0.00 0.39 0.05 -0.76 0.00 0.00 0.00 175.10 174.77 3f6s s LEU 54 N 1.32 3.55 -0.26 3.92 1.43 0.18 -2.51 118.68 126.32 3f6s s LEU 54 Ca -0.01 -0.08 -0.08 0.00 -1.03 0.00 0.00 54.13 52.93 3f6s s LEU 54 Cb -0.14 -1.91 -0.03 0.00 0.03 0.00 0.00 46.19 44.14 3f6s s LEU 54 CO -0.05 0.09 0.10 -0.36 0.23 0.00 0.00 176.35 176.36 3f6s s PHE 55 N 0.88 3.12 -0.11 0.29 0.40 -0.55 -0.97 117.98 121.04 3f6s s PHE 55 Ca 0.03 -0.35 -0.05 0.00 -0.60 0.00 0.00 56.93 55.96 3f6s s PHE 55 Cb -0.14 -2.27 -0.04 0.00 0.51 0.00 0.00 43.02 41.08 3f6s s PHE 55 CO 0.02 -0.33 0.09 0.20 0.70 0.00 0.00 175.22 175.90 3f6s s GLY 56 N 1.64 2.06 -0.30 4.36 0.00 0.13 -1.16 107.32 114.06 3f6s s GLY 56 Ca 0.06 -0.69 -0.08 0.00 0.00 0.00 0.00 44.72 44.01 3f6s s GLY 56 CO 0.05 -0.44 0.63 0.00 0.00 0.00 0.00 173.10 173.35 3f6s s SER 58 N 2.88 5.48 -0.15 0.00 1.04 -1.18 -4.20 113.70 117.58 3f6s s SER 58 Ca -0.00 1.51 -0.12 0.00 0.48 0.00 0.00 55.95 57.82 3f6s s SER 58 Cb -0.13 -2.41 -0.05 0.00 0.10 0.00 0.00 66.02 63.54 3f6s s SER 58 CO -0.19 -1.36 0.23 0.00 0.98 0.00 0.00 173.24 172.89 3f6s s ALA 59 N -3.11 3.69 -0.36 5.32 0.00 -0.96 -2.99 121.76 123.36 3f6s s ALA 59 Ca 0.58 -0.53 0.01 0.00 0.00 0.00 0.00 51.96 52.01 3f6s s ALA 59 Cb -0.13 -2.25 0.15 0.00 0.00 0.00 0.00 23.12 20.89 3f6s s ALA 59 CO 0.55 0.25 0.27 -1.58 0.00 0.00 0.00 175.76 175.25 3f6s s TRP 60 N -0.00 0.35 0.32 0.00 0.52 -1.03 -4.90 118.94 114.19 3f6s s TRP 60 Ca 0.15 -1.34 0.02 0.00 0.02 0.00 0.00 56.10 54.94 3f6s s TRP 60 Cb -0.13 -0.72 0.60 0.00 -1.15 0.00 0.00 33.47 32.07 3f6s s TRP 60 CO 0.03 -0.88 1.93 0.78 0.02 0.00 0.00 176.95 178.83 3f6s h GLY 61 N 7.00 1.18 0.00 0.98 0.00 -1.84 -3.35 103.07 107.03 3f6s h GLY 61 Ca 0.06 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 47.01 3f6s h GLY 61 CO 0.24 0.28 0.00 1.03 0.00 0.00 0.00 176.54 178.09 3f6s n MET 62 N -4.48 3.03 0.00 4.80 2.81 -1.26 -4.50 117.12 117.52 3f6s n MET 62 Ca 0.12 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.01 3f6s n MET 62 Cb 0.19 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.70 3f6s n MET 62 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3f6s n GLU 63 N 0.00 0.00 -2.21 0.03 1.02 -1.26 -4.18 120.64 114.04 3f6s n GLU 63 Ca 0.00 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.72 3f6s n GLU 63 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.39 3f6s n GLU 63 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3f6s s ASP 64 N -2.94 6.87 -0.35 1.62 1.01 -1.26 -4.84 116.67 116.77 3f6s s ASP 64 Ca 0.00 2.30 -0.18 0.00 0.71 0.00 0.00 52.55 55.38 3f6s s ASP 64 Cb 0.00 -2.59 -0.19 0.00 1.01 0.00 0.00 42.92 41.15 3f6s s ASP 64 CO 0.00 -0.61 1.45 0.18 0.21 0.00 0.00 175.17 176.40 3f6s n LEU 65 N 3.73 0.14 0.00 1.23 4.77 -1.26 -4.31 117.00 121.30 3f6s n LEU 65 Ca 0.10 -1.62 0.00 0.00 -0.03 0.00 0.00 56.01 54.46 3f6s n LEU 65 Cb 0.43 -0.83 0.00 0.00 -2.33 0.00 0.00 43.42 40.69 3f6s n LEU 65 CO 0.58 -2.29 0.00 1.21 -1.33 0.00 0.00 177.39 175.56 3f6s n GLU 66 N 6.53 0.00 -3.79 3.23 2.13 -1.26 -4.87 120.64 122.62 3f6s n GLU 66 Ca 0.27 0.00 -0.20 0.00 0.66 0.00 0.00 57.16 57.89 3f6s n GLU 66 Cb 0.42 -0.28 -0.02 0.00 0.27 0.00 0.00 31.44 31.84 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 3.25 0.36 5.31 -1.94 -1.26 -2.48 119.30 122.54 3f6s s MET 67 Ca 0.00 -0.90 -0.28 0.00 -1.71 0.00 0.00 55.69 52.80 3f6s s MET 67 Cb 0.00 -2.82 -0.12 0.00 2.01 0.00 0.00 34.83 33.90 3f6s s MET 67 CO 0.00 0.28 1.42 0.94 -0.01 0.00 0.00 175.02 177.64 3f6s n GLN 68 N -1.48 2.47 -0.03 2.03 0.00 -1.16 -4.71 117.38 114.50 3f6s n GLN 68 Ca -0.05 0.87 -0.01 0.00 -0.00 0.00 0.00 57.00 57.80 3f6s n GLN 68 Cb 0.58 -2.54 -0.01 0.00 0.00 0.00 0.00 30.24 28.26 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 0.61 -0.09 0.26 1.69 10.43 -1.26 -1.25 116.55 126.95 3f6s n ASP 69 Ca 0.03 0.88 0.11 0.00 2.57 0.00 0.00 54.79 58.37 3f6s n ASP 69 Cb 0.38 -0.38 0.72 0.00 1.84 0.00 0.00 41.12 43.67 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 1.28 -2.24 3.32 -1.92 -2.31 116.42 114.56 3f6s h ASP 70 Ca 0.01 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.94 3f6s h ASP 70 Cb 0.03 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 3f6s h ASP 70 CO -0.08 0.09 -0.75 0.15 -1.72 0.00 0.00 179.24 176.93 3f6s h PHE 71 N 0.00 0.00 -0.19 4.55 3.57 -1.66 -3.17 116.94 120.05 3f6s h PHE 71 Ca -0.00 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.40 3f6s h PHE 71 Cb 0.20 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.94 3f6s h PHE 71 CO 0.00 0.51 -0.26 1.25 -2.23 0.00 0.00 178.31 177.59 3f6s h LEU 72 N 0.00 0.55 -1.32 0.59 7.12 -0.59 0.27 115.31 121.92 3f6s h LEU 72 Ca -0.04 -0.51 0.08 0.00 0.13 0.00 0.00 57.88 57.54 3f6s h LEU 72 Cb 1.43 -0.16 -0.05 0.00 -0.53 0.00 0.00 40.66 41.35 3f6s h LEU 72 CO 0.06 0.95 0.52 0.28 -0.13 0.00 0.00 178.44 180.12 3f6s h SER 73 N 0.16 0.70 0.18 1.25 0.02 -1.62 -1.87 113.55 112.38 3f6s h SER 73 Ca 0.02 0.01 -0.24 0.00 -0.84 0.00 0.00 61.79 60.74 3f6s h SER 73 Cb 0.83 -0.14 0.03 0.00 0.14 0.00 0.00 62.40 63.26 3f6s h SER 73 CO 0.06 0.43 -1.05 0.25 -1.14 0.00 0.00 176.83 175.38 3f6s h LEU 74 N 0.79 0.62 -1.36 5.07 5.85 -1.47 -3.34 115.31 121.46 3f6s h LEU 74 Ca 0.36 -0.94 -0.01 0.00 0.84 0.00 0.00 57.88 58.13 3f6s h LEU 74 Cb 0.35 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 3f6s h LEU 74 CO -0.13 1.51 0.32 0.15 -0.34 0.00 0.00 178.44 179.95 3f6s h PHE 75 N -0.17 0.73 0.00 1.25 3.57 -0.32 -1.16 116.94 120.85 3f6s h PHE 75 Ca -0.18 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.32 3f6s h PHE 75 Cb 1.83 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 40.33 3f6s h PHE 75 CO 0.17 0.50 0.00 0.39 -2.23 0.00 0.00 178.31 177.14 3f6s n GLU 76 N -4.41 0.17 -0.58 1.11 1.02 -0.72 -1.56 120.64 115.67 3f6s n GLU 76 Ca 0.05 0.15 0.05 0.00 -0.02 0.00 0.00 57.16 57.39 3f6s n GLU 76 Cb 0.08 -1.50 0.20 0.00 -0.02 0.00 0.00 31.44 30.20 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 -1.35 1.63 -0.14 3.49 1.02 -0.44 -4.82 120.64 120.02 3f6s n GLU 77 Ca 0.07 -3.20 0.13 0.00 -0.02 0.00 0.00 57.16 54.14 3f6s n GLU 77 Cb 0.15 -1.65 0.49 0.00 -0.02 0.00 0.00 31.44 30.41 3f6s n GLU 77 CO 0.00 0.00 0.00 0.74 1.18 0.00 0.00 177.13 179.05 3f6s h PHE 78 N 0.91 0.50 0.00 -0.32 -1.00 -1.23 -1.49 116.94 114.31 3f6s h PHE 78 Ca 0.04 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.84 3f6s h PHE 78 Cb 1.13 -0.16 0.00 0.00 3.61 0.00 0.00 35.95 40.53 3f6s h PHE 78 CO 0.72 0.21 0.00 -0.40 -1.61 0.00 0.00 178.31 177.24 3f6s n ASP 79 N -4.48 0.00 0.00 2.17 5.68 -1.26 -2.34 116.55 116.32 3f6s n ASP 79 Ca 0.13 -0.58 0.10 0.00 -0.50 0.00 0.00 54.79 53.94 3f6s n ASP 79 Cb 0.45 -0.09 -0.07 0.00 -1.14 0.00 0.00 41.12 40.27 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 -1.09 0.09 0.06 0.11 1.74 -0.56 -4.56 116.66 112.45 3f6s n ARG 80 Ca 0.17 -0.02 -0.12 0.00 -0.77 0.00 0.00 57.85 57.11 3f6s n ARG 80 Cb 0.12 -1.51 -0.01 0.00 -1.02 0.00 0.00 32.46 30.04 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 1.39 0.00 0.55 2.04 -1.51 0.35 117.51 120.33 3f6s h ILE 81 Ca 0.00 -2.29 0.00 0.00 1.00 0.00 0.00 64.86 63.57 3f6s h ILE 81 Cb 0.57 2.26 0.00 0.00 -0.74 0.00 0.00 36.82 38.91 3f6s h ILE 81 CO 0.00 0.69 0.00 0.61 0.00 0.00 0.00 178.15 179.45 3f6s n GLY 82 N 0.76 0.79 0.09 5.37 0.00 -1.26 -1.30 105.19 109.64 3f6s n GLY 82 Ca -0.06 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.09 3f6s n GLY 82 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3f6s h LEU 83 N 0.00 0.00 -9.19 0.99 3.38 -1.85 -3.45 115.31 105.20 3f6s h LEU 83 Ca 0.00 -0.13 -0.62 0.00 0.09 0.00 0.00 57.88 57.22 3f6s h LEU 83 Cb 0.00 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.76 3f6s h LEU 83 CO 0.00 0.07 1.17 0.00 0.09 0.00 0.00 178.44 179.76 3f6s n ALA 84 N -1.86 0.99 -0.18 1.53 0.00 -1.01 -1.83 120.51 118.14 3f6s n ALA 84 Ca 0.04 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.68 3f6s n ALA 84 Cb 0.45 -2.55 0.00 0.00 0.00 0.00 0.00 19.45 17.36 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 4.71 1.31 3.95 0.00 0.00 0.81 -4.92 105.19 111.05 3f6s n GLY 85 Ca 0.25 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.47 3.48 0.08 1.61 0.52 -0.76 -4.84 118.95 118.57 3f6s s ARG 86 Ca 0.00 -0.45 -0.21 0.00 -0.52 0.00 0.00 55.73 54.55 3f6s s ARG 86 Cb 0.00 -2.76 -0.07 0.00 0.52 0.00 0.00 34.95 32.65 3f6s s ARG 86 CO 0.00 0.27 0.62 0.15 0.02 0.00 0.00 175.30 176.37 3f6s s LYS 87 N -4.04 4.31 0.05 3.54 1.02 -0.88 -1.26 119.74 122.48 3f6s s LYS 87 Ca 0.38 0.84 0.01 0.00 0.02 0.00 0.00 55.97 57.22 3f6s s LYS 87 Cb -0.10 -3.27 -0.03 0.00 -0.52 0.00 0.00 37.83 33.92 3f6s s LYS 87 CO 0.33 0.56 -0.05 0.08 -0.92 0.00 0.00 175.35 175.35 3f6s s VAL 88 N -0.90 0.39 0.10 3.17 1.01 0.05 -0.61 120.40 123.60 3f6s s VAL 88 Ca 0.31 -1.32 -0.15 0.00 0.00 0.00 0.00 61.98 60.82 3f6s s VAL 88 Cb -0.20 -0.86 0.03 0.00 0.00 0.00 0.00 36.38 35.35 3f6s s VAL 88 CO 0.20 -0.62 0.37 0.00 0.00 0.00 0.00 175.10 175.06 3f6s s ALA 89 N -2.26 -0.84 0.05 5.51 0.00 -1.04 -1.22 121.76 121.95 3f6s s ALA 89 Ca -0.05 -0.07 0.05 0.00 0.00 0.00 0.00 51.96 51.89 3f6s s ALA 89 Cb -0.04 0.60 -0.02 0.00 0.00 0.00 0.00 23.12 23.65 3f6s s ALA 89 CO -0.03 -0.59 -0.14 0.00 0.00 0.00 0.00 175.76 175.01 3f6s s ALA 90 N -3.56 1.15 0.03 0.00 0.00 -1.26 -1.48 121.76 116.63 3f6s s ALA 90 Ca 0.02 -0.89 -0.08 0.00 0.00 0.00 0.00 51.96 51.01 3f6s s ALA 90 Cb 0.02 -0.14 -0.00 0.00 0.00 0.00 0.00 23.12 23.00 3f6s s ALA 90 CO -0.10 0.19 0.15 -0.59 0.00 0.00 0.00 175.76 175.41 3f6s s PHE 91 N -1.04 0.10 0.16 0.00 -0.71 -0.31 -0.63 117.98 115.57 3f6s s PHE 91 Ca -0.00 -0.33 -0.11 0.00 -1.04 0.00 0.00 56.93 55.45 3f6s s PHE 91 Cb -0.09 -0.07 0.00 0.00 -1.21 0.00 0.00 43.02 41.65 3f6s s PHE 91 CO 0.02 -0.38 0.33 0.00 -1.34 0.00 0.00 175.22 173.85 3f6s s ALA 92 N -2.37 -0.26 0.02 1.99 0.00 0.50 -1.84 121.76 119.80 3f6s s ALA 92 Ca -0.07 -0.69 0.07 0.00 0.00 0.00 0.00 51.96 51.28 3f6s s ALA 92 Cb -0.02 0.82 -0.03 0.00 0.00 0.00 0.00 23.12 23.89 3f6s s ALA 92 CO -0.03 -0.67 -0.21 0.45 0.00 0.00 0.00 175.76 175.30 3f6s s SER 93 N -2.93 3.53 0.00 0.00 0.15 -1.26 -3.24 113.70 109.96 3f6s s SER 93 Ca 0.14 -0.44 0.00 0.00 0.70 0.00 0.00 55.95 56.35 3f6s s SER 93 Cb 0.02 -0.51 0.00 0.00 -1.71 0.00 0.00 66.02 63.82 3f6s s SER 93 CO -0.02 0.28 0.00 0.61 1.20 0.00 0.00 173.24 175.31 3f6s n GLY 94 N 1.89 2.89 2.97 9.45 0.00 -0.74 -2.26 105.19 119.38 3f6s n GLY 94 Ca -0.16 -0.63 -0.14 0.00 0.00 0.00 0.00 46.02 45.09 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 2.00 0.29 0.64 1.61 -1.08 -1.26 -4.27 116.67 114.60 3f6s s ASP 95 Ca 0.00 0.50 0.36 0.00 -0.52 0.00 0.00 52.55 52.89 3f6s s ASP 95 Cb 0.00 0.51 2.01 0.00 -1.46 0.00 0.00 42.92 43.98 3f6s s ASP 95 CO 0.00 -0.22 2.20 1.56 0.52 0.00 0.00 175.17 179.23 3f6s h GLN 96 N 8.02 0.00 0.00 4.34 1.08 -1.97 -1.92 115.11 124.66 3f6s h GLN 96 Ca -0.21 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.99 3f6s h GLN 96 Cb 1.12 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.55 3f6s h GLN 96 CO 0.20 0.00 0.00 0.39 -0.95 0.00 0.00 178.83 178.47 3f6s n GLU 97 N -3.32 0.94 -3.96 1.46 1.02 -1.26 -4.73 120.64 110.80 3f6s n GLU 97 Ca -0.02 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.83 3f6s n GLU 97 Cb 0.20 -1.44 -0.04 0.00 -0.02 0.00 0.00 31.44 30.13 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 -2.00 3.42 0.18 -0.32 1.51 -0.72 -5.02 117.35 114.39 3f6s s TYR 98 Ca 0.40 0.17 -0.13 0.00 -1.01 0.00 0.00 57.07 56.49 3f6s s TYR 98 Cb 0.18 -1.70 0.11 0.00 -0.11 0.00 0.00 41.96 40.45 3f6s s TYR 98 CO 0.31 0.56 1.80 1.49 -1.11 0.00 0.00 175.55 178.59 3f6s h GLU 99 N 2.92 0.53 -4.46 -0.62 4.81 -1.87 -3.36 114.58 112.53 3f6s h GLU 99 Ca -0.46 -0.03 -0.70 0.00 -0.13 0.00 0.00 59.36 58.03 3f6s h GLU 99 Cb 1.17 -0.12 -0.33 0.00 0.63 0.00 0.00 28.75 30.10 3f6s h GLU 99 CO 0.72 0.35 -0.51 -1.01 -0.73 0.00 0.00 179.01 177.83 3f6s s HIS 100 N -6.14 3.51 -0.30 0.92 3.76 -1.26 -5.06 115.29 110.71 3f6s s HIS 100 Ca -0.13 -2.16 -0.27 0.00 -0.15 0.00 0.00 55.06 52.35 3f6s s HIS 100 Cb 0.13 -3.19 0.01 0.00 1.11 0.00 0.00 32.58 30.64 3f6s s HIS 100 CO 0.74 -0.95 0.95 0.12 -0.85 0.00 0.00 174.74 174.74 3f6s s PHE 101 N 1.23 3.20 -1.52 1.40 5.36 -1.26 -4.05 117.98 122.33 3f6s s PHE 101 Ca 0.06 1.07 -0.06 0.00 -0.96 0.00 0.00 56.93 57.05 3f6s s PHE 101 Cb -0.23 -3.44 0.05 0.00 -0.34 0.00 0.00 43.02 39.06 3f6s s PHE 101 CO -0.03 -0.64 0.46 0.00 -1.46 0.00 0.00 175.22 173.55 3f6s h GLY 103 N -1.71 0.00 2.00 0.00 0.00 -1.94 -2.12 103.07 99.30 3f6s h GLY 103 Ca -0.62 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.67 3f6s h GLY 103 CO 0.69 0.00 -0.19 0.00 0.00 0.00 0.00 176.54 177.04 3f6s h ALA 104 N 1.63 1.33 0.41 3.60 0.00 -1.88 -3.28 119.26 121.07 3f6s h ALA 104 Ca 0.04 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3f6s h ALA 104 Cb 0.50 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3f6s h ALA 104 CO -0.00 0.23 -0.39 0.28 0.00 0.00 0.00 179.25 179.37 3f6s h VAL 105 N 0.00 0.00 -0.11 0.00 2.07 -1.69 -0.74 116.25 115.78 3f6s h VAL 105 Ca -0.00 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.55 3f6s h VAL 105 Cb 0.44 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.20 3f6s h VAL 105 CO 0.02 0.00 0.09 1.55 0.02 0.00 0.00 177.57 179.25 3f6s h PRO 106 N -0.80 0.00 -0.04 1.57 0.13 -1.77 -2.29 132.00 128.80 3f6s h PRO 106 Ca -0.05 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.88 3f6s h PRO 106 Cb 0.69 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.83 3f6s h PRO 106 CO -0.04 0.00 -0.73 0.00 -0.23 0.00 0.00 178.00 177.00 3f6s h ALA 107 N 1.94 0.15 0.10 -0.56 0.00 -1.55 -1.01 119.26 118.32 3f6s h ALA 107 Ca 0.05 -0.60 0.01 0.00 0.00 0.00 0.00 54.91 54.38 3f6s h ALA 107 Cb 0.22 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3f6s h ALA 107 CO -0.00 0.50 -0.14 0.82 0.00 0.00 0.00 179.25 180.42 3f6s h ILE 108 N 0.17 0.68 -0.88 0.00 2.04 -0.86 0.35 117.51 119.01 3f6s h ILE 108 Ca -0.08 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.85 3f6s h ILE 108 Cb 1.40 0.68 -0.06 0.00 -0.74 0.00 0.00 36.82 38.10 3f6s h ILE 108 CO 0.15 0.00 0.57 -0.33 0.00 0.00 0.00 178.15 178.54 3f6s h GLU 109 N -0.29 0.92 -0.13 2.37 5.08 -1.44 -1.09 114.58 120.01 3f6s h GLU 109 Ca 0.02 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 3f6s h GLU 109 Cb 0.30 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 3f6s h GLU 109 CO -0.07 0.61 0.01 0.93 -1.00 0.00 0.00 179.01 179.50 3f6s h GLU 110 N 0.95 0.22 -0.08 2.33 5.08 -0.44 -2.31 114.58 120.33 3f6s h GLU 110 Ca 0.39 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.60 3f6s h GLU 110 Cb 0.27 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.50 3f6s h GLU 110 CO -0.15 0.43 -0.27 -0.09 -1.00 0.00 0.00 179.01 177.93 3f6s h ARG 111 N -0.03 0.32 -0.34 2.33 9.65 -0.64 -2.50 114.38 123.17 3f6s h ARG 111 Ca 0.04 -0.24 0.07 0.00 -1.10 0.00 0.00 59.98 58.75 3f6s h ARG 111 Cb 0.33 0.04 -0.08 0.00 -1.39 0.00 0.00 29.97 28.87 3f6s h ARG 111 CO 0.00 0.87 -0.35 0.00 2.80 0.00 0.00 179.97 183.30 3f6s h ALA 112 N 0.45 -0.28 -0.99 2.80 0.00 -1.27 -0.56 119.26 119.40 3f6s h ALA 112 Ca -0.01 0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.05 3f6s h ALA 112 Cb 0.91 0.72 -0.07 0.00 0.00 0.00 0.00 17.79 19.35 3f6s h ALA 112 CO 0.06 -0.77 0.64 -0.22 0.00 0.00 0.00 179.25 178.95 3f6s h LYS 113 N -0.30 1.08 0.00 0.00 3.64 -1.42 0.13 116.57 119.69 3f6s h LYS 113 Ca 0.15 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.43 3f6s h LYS 113 Cb 0.55 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 32.12 3f6s h LYS 113 CO -0.50 0.71 -0.16 0.93 -2.27 0.00 0.00 179.45 178.16 3f6s h GLU 114 N 1.11 0.00 -0.67 1.90 5.08 -0.79 -2.29 114.58 118.92 3f6s h GLU 114 Ca 0.44 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.80 3f6s h GLU 114 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 3f6s h GLU 114 CO -0.19 0.16 0.00 1.28 -1.00 0.00 0.00 179.01 179.26 3f6s n LEU 115 N -4.32 4.31 0.00 1.33 4.77 0.40 -4.91 117.00 118.58 3f6s n LEU 115 Ca -0.02 -2.18 0.00 0.00 -0.03 0.00 0.00 56.01 53.77 3f6s n LEU 115 Cb 0.23 -0.60 0.00 0.00 -2.33 0.00 0.00 43.42 40.72 3f6s n LEU 115 CO 0.36 0.56 0.00 0.61 -1.33 0.00 0.00 177.39 177.59 3f6s n GLY 116 N 0.59 0.57 3.93 -0.72 0.00 -0.86 -2.41 105.19 106.28 3f6s n GLY 116 Ca 0.20 -0.80 -0.26 0.00 0.00 0.00 0.00 46.02 45.17 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 3.69 -0.28 4.61 0.00 -0.86 -0.13 121.76 126.79 3f6s s ALA 117 Ca 0.00 -0.80 -0.09 0.00 0.00 0.00 0.00 51.96 51.07 3f6s s ALA 117 Cb 0.00 -2.15 -0.02 0.00 0.00 0.00 0.00 23.12 20.95 3f6s s ALA 117 CO 0.00 0.11 0.11 0.99 0.00 0.00 0.00 175.76 176.98 3f6s s THR 118 N -2.20 4.50 0.02 0.00 2.01 -0.39 -4.28 115.64 115.32 3f6s s THR 118 Ca 0.41 -0.26 -0.30 0.00 0.31 0.00 0.00 61.69 61.84 3f6s s THR 118 Cb -0.10 -3.20 -0.05 0.00 0.01 0.00 0.00 72.50 69.16 3f6s s THR 118 CO 0.34 0.21 1.25 -0.63 -0.69 0.00 0.00 174.62 175.09 3f6s s ILE 119 N 1.62 3.99 -0.37 1.82 -1.09 -1.26 -0.77 121.20 125.14 3f6s s ILE 119 Ca 0.06 1.39 0.08 0.00 -2.23 0.00 0.00 60.65 59.95 3f6s s ILE 119 Cb -0.16 -3.89 -0.09 0.00 -1.58 0.00 0.00 42.46 36.74 3f6s s ILE 119 CO 0.05 0.06 0.33 2.30 -1.23 0.00 0.00 174.94 176.46 3f6s n ILE 120 N 4.23 0.00 -3.87 2.92 -5.35 -0.36 -4.90 119.36 112.03 3f6s n ILE 120 Ca 0.10 -0.31 -0.09 0.00 -0.27 0.00 0.00 62.75 62.18 3f6s n ILE 120 Cb 0.46 0.99 -0.08 0.00 -1.74 0.00 0.00 39.64 39.27 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 -1.75 -0.23 0.25 -1.28 0.00 -1.26 -4.61 121.76 112.89 3f6s s ALA 121 Ca 0.03 -0.50 -0.30 0.00 0.00 0.00 0.00 51.96 51.19 3f6s s ALA 121 Cb 0.06 0.36 -0.09 0.00 0.00 0.00 0.00 23.12 23.45 3f6s s ALA 121 CO 0.32 -0.42 1.32 -2.00 0.00 0.00 0.00 175.76 174.98 3f6s s GLU 122 N -3.19 4.37 0.29 0.00 2.12 -1.26 -4.75 118.70 116.29 3f6s s GLU 122 Ca -0.00 2.13 -0.29 0.00 0.36 0.00 0.00 54.97 57.16 3f6s s GLU 122 Cb 0.02 -3.14 -0.10 0.00 0.26 0.00 0.00 34.13 31.17 3f6s s GLU 122 CO -0.07 -0.23 1.41 0.20 -0.54 0.00 0.00 175.26 176.02 3f6s s GLY 123 N 0.02 2.57 -0.28 -1.50 0.00 -1.26 -4.87 107.32 102.00 3f6s s GLY 123 Ca 0.54 1.34 -0.26 0.00 0.00 0.00 0.00 44.72 46.33 3f6s s GLY 123 CO 0.44 2.18 0.92 -2.27 0.00 0.00 0.00 173.10 174.36 3f6s s LEU 124 N -0.95 4.05 -0.16 0.66 2.96 0.20 -4.97 118.68 120.47 3f6s s LEU 124 Ca 0.56 0.97 0.02 0.00 -0.22 0.00 0.00 54.13 55.46 3f6s s LEU 124 Cb -0.42 -3.31 0.01 0.00 0.50 0.00 0.00 46.19 42.98 3f6s s LEU 124 CO 0.48 -0.67 -0.21 -0.54 -1.32 0.00 0.00 176.35 174.09 3f6s s LYS 125 N 3.16 3.01 0.27 1.98 1.02 -1.26 -0.37 119.74 127.56 3f6s s LYS 125 Ca 0.38 -0.84 -0.20 0.00 0.02 0.00 0.00 55.97 55.34 3f6s s LYS 125 Cb -0.14 -2.52 0.02 0.00 -0.52 0.00 0.00 37.83 34.67 3f6s s LYS 125 CO 0.11 -0.12 0.69 0.00 -0.92 0.00 0.00 175.35 175.11 3f6s s MET 126 N 1.07 1.75 0.18 1.68 0.23 -1.20 -5.02 119.30 117.99 3f6s s MET 126 Ca -0.00 -1.01 0.08 0.00 -1.03 0.00 0.00 55.69 53.72 3f6s s MET 126 Cb -0.14 0.59 -0.04 0.00 -1.53 0.00 0.00 34.83 33.71 3f6s s MET 126 CO -0.08 -0.79 -0.04 -1.21 -2.03 0.00 0.00 175.02 170.87 3f6s s GLU 127 N -3.93 2.27 2.31 3.16 2.02 -1.26 -1.80 118.70 121.46 3f6s s GLU 127 Ca 0.12 -1.17 0.00 0.00 0.02 0.00 0.00 54.97 53.94 3f6s s GLU 127 Cb -0.05 -2.28 0.00 0.00 0.10 0.00 0.00 34.13 31.90 3f6s s GLU 127 CO 0.07 0.45 0.00 0.41 0.02 0.00 0.00 175.26 176.21 3f6s n GLY 128 N -0.05 -0.83 2.11 -1.39 0.00 -1.26 -4.69 105.19 99.08 3f6s n GLY 128 Ca -0.10 -1.18 -0.11 0.00 0.00 0.00 0.00 46.02 44.63 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 -0.73 0.97 -0.25 1.61 3.85 -1.26 -4.65 116.55 116.08 3f6s n ASP 129 Ca 0.00 -1.74 0.10 0.00 -0.71 0.00 0.00 54.79 52.44 3f6s n ASP 129 Cb 0.00 -0.28 0.36 0.00 -1.35 0.00 0.00 41.12 39.85 3f6s n ASP 129 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3f6s h ALA 130 N -0.05 1.77 0.00 2.12 0.00 -1.82 -1.04 119.26 120.23 3f6s h ALA 130 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3f6s h ALA 130 Cb 0.67 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3f6s h ALA 130 CO 0.20 0.03 0.00 0.66 0.00 0.00 0.00 179.25 180.14 3f6s h SER 131 N 0.74 0.00 0.92 0.00 4.64 -1.95 -3.02 113.55 114.88 3f6s h SER 131 Ca 0.41 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.72 3f6s h SER 131 Cb 0.56 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.64 3f6s h SER 131 CO -0.17 0.00 -0.05 -1.13 -0.87 0.00 0.00 176.83 174.61 3f6s h ASN 132 N 0.00 0.00 0.00 4.97 -1.24 -1.49 -3.39 115.58 114.43 3f6s h ASN 132 Ca 0.00 0.00 -0.19 0.00 0.71 0.00 0.00 56.30 56.82 3f6s h ASN 132 Cb 0.76 0.00 -0.14 0.00 0.73 0.00 0.00 38.32 39.67 3f6s h ASN 132 CO 0.00 0.05 -0.38 -0.67 -1.29 0.00 0.00 177.43 175.14 3f6s n ASP 133 N -3.18 -2.46 0.25 1.15 -0.08 -1.15 -5.00 116.55 106.08 3f6s n ASP 133 Ca 0.00 -3.08 0.08 0.00 -1.51 0.00 0.00 54.79 50.28 3f6s n ASP 133 Cb 0.32 1.65 0.61 0.00 2.34 0.00 0.00 41.12 46.04 3f6s n ASP 133 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3f6s h PRO 134 N 3.57 0.00 -0.53 -0.67 0.13 -1.74 -2.41 132.00 130.34 3f6s h PRO 134 Ca -0.16 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.85 3f6s h PRO 134 Cb 1.08 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.19 3f6s h PRO 134 CO 0.19 0.07 -0.13 0.93 -0.23 0.00 0.00 178.00 178.83 3f6s h GLU 135 N 0.00 1.03 -0.28 0.86 5.08 -1.94 0.11 114.58 119.44 3f6s h GLU 135 Ca -0.00 -0.40 -0.06 0.00 -1.00 0.00 0.00 59.36 57.90 3f6s h GLU 135 Cb 0.13 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 3f6s h GLU 135 CO 0.01 1.08 -0.07 0.00 -1.00 0.00 0.00 179.01 179.03 3f6s h ALA 136 N 0.91 0.38 -0.08 3.43 0.00 -1.85 -1.60 119.26 120.46 3f6s h ALA 136 Ca 0.13 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 3f6s h ALA 136 Cb 0.71 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 3f6s h ALA 136 CO 0.05 0.20 0.05 0.28 0.00 0.00 0.00 179.25 179.84 3f6s h VAL 137 N 0.30 1.05 -0.61 0.00 2.07 -1.46 -2.36 116.25 115.24 3f6s h VAL 137 Ca 0.07 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.48 3f6s h VAL 137 Cb 0.55 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 31.26 3f6s h VAL 137 CO 0.03 0.04 0.39 0.00 0.02 0.00 0.00 177.57 178.05 3f6s h ALA 138 N 1.00 1.54 -0.01 1.67 0.00 -0.72 -1.00 119.26 121.74 3f6s h ALA 138 Ca 0.03 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3f6s h ALA 138 Cb 0.02 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 3f6s h ALA 138 CO -0.01 0.42 0.00 1.03 0.00 0.00 0.00 179.25 180.69 3f6s h SER 139 N 0.83 0.02 -0.42 0.00 0.87 -1.19 -1.74 113.55 111.91 3f6s h SER 139 Ca 0.22 -0.29 0.09 0.00 -1.23 0.00 0.00 61.79 60.57 3f6s h SER 139 Cb -0.07 -0.00 -0.09 0.00 -0.44 0.00 0.00 62.40 61.80 3f6s h SER 139 CO -0.05 0.31 -0.16 0.15 -0.53 0.00 0.00 176.83 176.56 3f6s h PHE 140 N -0.27 -0.37 -0.43 2.24 3.57 -0.96 -1.10 116.94 119.61 3f6s h PHE 140 Ca 0.00 0.04 0.06 0.00 3.53 0.00 0.00 57.97 61.60 3f6s h PHE 140 Cb 0.30 0.23 -0.05 0.00 2.79 0.00 0.00 35.95 39.22 3f6s h PHE 140 CO 0.03 -0.24 0.14 0.00 -2.23 0.00 0.00 178.31 176.01 3f6s h ALA 141 N 1.30 0.51 -0.96 2.41 0.00 -1.16 -1.61 119.26 119.74 3f6s h ALA 141 Ca 0.21 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3f6s h ALA 141 Cb 0.38 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 3f6s h ALA 141 CO -0.47 -0.25 0.62 1.49 0.00 0.00 0.00 179.25 180.64 3f6s h GLU 142 N 0.31 1.29 -0.21 0.00 4.81 -0.58 0.17 114.58 120.37 3f6s h GLU 142 Ca 0.20 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 3f6s h GLU 142 Cb 0.20 -0.28 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 3f6s h GLU 142 CO -0.21 0.87 0.08 -0.44 -0.73 0.00 0.00 179.01 178.57 3f6s h ASP 143 N 1.32 0.30 -0.18 1.04 3.32 -0.68 -0.97 116.42 120.57 3f6s h ASP 143 Ca 0.35 -0.18 0.01 0.00 0.02 0.00 0.00 57.03 57.23 3f6s h ASP 143 Cb -0.11 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 3f6s h ASP 143 CO -0.07 0.39 0.09 0.58 -1.72 0.00 0.00 179.24 178.51 3f6s h VAL 144 N 0.18 1.00 0.00 -1.35 2.07 -1.01 -2.77 116.25 114.38 3f6s h VAL 144 Ca 0.07 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 3f6s h VAL 144 Cb 0.19 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 30.75 3f6s h VAL 144 CO -0.00 0.04 -0.01 -0.07 0.02 0.00 0.00 177.57 177.54 3f6s h LEU 145 N 0.19 0.00 -0.68 2.57 3.38 -0.28 0.48 115.31 120.98 3f6s h LEU 145 Ca 0.07 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 3f6s h LEU 145 Cb 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3f6s h LEU 145 CO -0.05 0.01 -0.38 0.11 0.09 0.00 0.00 178.44 178.23 3f6s h LYS 146 N 0.00 0.00 -0.05 1.13 1.79 -0.89 -3.13 116.57 115.42 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 0.08 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.73 3f6s h LYS 146 CO 0.00 0.38 0.00 1.04 -1.08 0.00 0.00 179.45 179.79 3f6s n GLN 147 N -3.40 2.08 0.00 3.15 1.13 0.14 -5.12 117.38 115.36 3f6s n GLN 147 Ca 0.01 -1.57 0.11 0.00 -1.94 0.00 0.00 57.00 53.60 3f6s n GLN 147 Cb 0.56 -1.47 0.09 0.00 0.11 0.00 0.00 30.24 29.54 3f6s n GLN 147 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90