#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f90 s LYS 3 N 0.00 3.30 0.07 1.43 1.02 -1.26 -0.60 119.74 123.70 3f90 s LYS 3 Ca 0.00 -0.49 0.00 0.00 0.02 0.00 0.00 55.97 55.50 3f90 s LYS 3 Cb 0.00 -3.91 -0.04 0.00 -0.52 0.00 0.00 37.83 33.36 3f90 s LYS 3 CO 0.00 -0.82 0.21 0.08 -0.92 0.00 0.00 175.35 173.90 3f90 s VAL 4 N 2.37 5.34 -0.18 3.17 1.01 -0.58 -0.50 120.40 131.02 3f90 s VAL 4 Ca 0.16 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 61.71 3f90 s VAL 4 Cb -0.16 -3.62 0.03 0.00 0.00 0.00 0.00 36.38 32.64 3f90 s VAL 4 CO 0.15 0.11 -0.13 -0.22 0.00 0.00 0.00 175.10 175.01 3f90 s LEU 5 N -2.59 2.12 -0.33 3.92 2.96 0.36 -1.66 118.68 123.45 3f90 s LEU 5 Ca 0.35 -0.75 -0.08 0.00 -0.22 0.00 0.00 54.13 53.43 3f90 s LEU 5 Cb -0.13 -1.26 0.03 0.00 0.50 0.00 0.00 46.19 45.33 3f90 s LEU 5 CO 0.28 -0.10 0.12 -0.63 -1.32 0.00 0.00 176.35 174.70 3f90 s ILE 6 N 1.40 4.04 -0.09 6.68 1.01 -0.52 0.51 121.20 134.23 3f90 s ILE 6 Ca 0.01 -0.92 0.03 0.00 0.00 0.00 0.00 60.65 59.77 3f90 s ILE 6 Cb -0.15 -3.22 -0.01 0.00 0.01 0.00 0.00 42.46 39.09 3f90 s ILE 6 CO -0.10 -0.11 -0.18 -0.69 0.00 0.00 0.00 174.94 173.87 3f90 s VAL 7 N 1.47 2.69 0.05 2.92 1.01 0.89 -0.92 120.40 128.52 3f90 s VAL 7 Ca 0.01 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.18 3f90 s VAL 7 Cb -0.19 -2.07 -0.03 0.00 0.00 0.00 0.00 36.38 34.09 3f90 s VAL 7 CO 0.04 0.55 -0.05 0.72 0.00 0.00 0.00 175.10 176.36 3f90 s PHE 8 N 0.01 0.58 -0.09 5.22 -0.12 -0.93 -0.70 117.98 121.94 3f90 s PHE 8 Ca -0.06 -0.74 0.03 0.00 -0.05 0.00 0.00 56.93 56.12 3f90 s PHE 8 Cb -0.15 -0.37 0.01 0.00 -0.63 0.00 0.00 43.02 41.88 3f90 s PHE 8 CO 0.05 -0.20 -0.19 0.20 -0.05 0.00 0.00 175.22 175.03 3f90 s GLY 9 N -2.20 1.11 -0.14 1.99 0.00 0.11 -0.16 107.32 108.02 3f90 s GLY 9 Ca -0.03 -0.74 -0.10 0.00 0.00 0.00 0.00 44.72 43.85 3f90 s GLY 9 CO -0.04 -0.13 0.37 -0.45 0.00 0.00 0.00 173.10 172.85 3f90 s SER 10 N 0.49 -0.41 -0.25 1.64 0.15 -1.26 -3.21 113.70 110.85 3f90 s SER 10 Ca -0.17 0.76 0.05 0.00 0.70 0.00 0.00 55.95 57.30 3f90 s SER 10 Cb -0.17 0.71 -0.19 0.00 -1.71 0.00 0.00 66.02 64.66 3f90 s SER 10 CO 0.06 -0.16 -0.17 -1.20 1.20 0.00 0.00 173.24 172.98 3f90 n SER 11 N 3.57 1.59 -0.20 5.45 7.64 -1.26 -4.65 113.62 125.77 3f90 n SER 11 Ca -0.18 -0.11 0.04 0.00 1.01 0.00 0.00 58.87 59.63 3f90 n SER 11 Cb 0.56 -0.12 0.09 0.00 -1.01 0.00 0.00 64.21 63.72 3f90 n SER 11 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3f90 n THR 12 N -3.15 1.37 -0.73 0.44 -2.24 -1.26 -4.99 114.28 103.72 3f90 n THR 12 Ca -0.43 -1.44 0.00 0.00 -2.27 0.00 0.00 64.05 59.91 3f90 n THR 12 Cb 1.02 0.22 0.00 0.00 -2.10 0.00 0.00 70.33 69.47 3f90 n THR 12 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3f90 n GLY 13 N -0.61 0.62 0.12 3.38 0.00 -1.26 -4.96 105.19 102.47 3f90 n GLY 13 Ca 0.08 -0.17 -0.18 0.00 0.00 0.00 0.00 46.02 45.76 3f90 n GLY 13 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3f90 h ASN 14 N 0.00 0.34 0.65 1.61 2.35 -1.94 -2.36 115.58 116.22 3f90 h ASN 14 Ca 0.00 -0.66 -0.19 0.00 -0.55 0.00 0.00 56.30 54.90 3f90 h ASN 14 Cb 0.00 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.25 3f90 h ASN 14 CO 0.00 1.58 -0.88 0.74 -1.65 0.00 0.00 177.43 177.22 3f90 h THR 15 N 0.06 1.52 -0.50 2.81 2.02 -1.84 -2.80 112.91 114.17 3f90 h THR 15 Ca -0.35 -2.70 -0.11 0.00 0.77 0.00 0.00 66.41 64.03 3f90 h THR 15 Cb 2.03 2.50 -0.02 0.00 -1.74 0.00 0.00 68.15 70.93 3f90 h THR 15 CO 0.11 0.78 -0.10 -0.08 0.37 0.00 0.00 175.52 176.61 3f90 h GLU 16 N 0.08 0.96 -0.43 6.66 4.81 -1.85 0.10 114.58 124.91 3f90 h GLU 16 Ca -0.04 -0.35 0.03 0.00 -0.13 0.00 0.00 59.36 58.87 3f90 h GLU 16 Cb 1.52 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.80 3f90 h GLU 16 CO 0.13 1.02 0.22 1.03 -0.73 0.00 0.00 179.01 180.68 3f90 h SER 17 N 0.82 0.33 -0.50 1.04 0.87 -1.41 0.14 113.55 114.83 3f90 h SER 17 Ca 0.13 0.02 -0.10 0.00 -1.23 0.00 0.00 61.79 60.61 3f90 h SER 17 Cb 0.65 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.54 3f90 h SER 17 CO 0.04 0.24 -0.06 0.40 -0.53 0.00 0.00 176.83 176.92 3f90 h ILE 18 N 0.45 1.26 0.12 2.23 2.04 -1.35 -1.42 117.51 120.84 3f90 h ILE 18 Ca 0.18 -1.19 0.01 0.00 1.00 0.00 0.00 64.86 64.87 3f90 h ILE 18 Cb 0.07 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 37.04 3f90 h ILE 18 CO -0.12 0.42 -0.20 0.00 0.00 0.00 0.00 178.15 178.26 3f90 h ALA 19 N 1.05 -0.34 -0.82 1.87 0.00 -0.27 0.06 119.26 120.80 3f90 h ALA 19 Ca 0.15 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.09 3f90 h ALA 19 Cb 0.60 0.31 -0.06 0.00 0.00 0.00 0.00 17.79 18.64 3f90 h ALA 19 CO 0.04 -0.73 0.49 1.96 0.00 0.00 0.00 179.25 181.01 3f90 h GLN 20 N -0.38 0.86 0.00 0.00 4.20 -0.63 -0.90 115.11 118.26 3f90 h GLN 20 Ca 0.02 -0.05 -0.08 0.00 0.06 0.00 0.00 58.65 58.60 3f90 h GLN 20 Cb 0.40 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 3f90 h GLN 20 CO -0.10 0.57 -0.38 -0.22 -0.67 0.00 0.00 178.83 178.03 3f90 h LYS 21 N 0.88 0.00 -0.04 1.46 1.63 -0.94 -2.41 116.57 117.16 3f90 h LYS 21 Ca 0.37 0.00 -0.25 0.00 -0.85 0.00 0.00 60.65 59.91 3f90 h LYS 21 Cb 0.22 0.00 0.02 0.00 -0.60 0.00 0.00 32.23 31.87 3f90 h LYS 21 CO -0.19 0.38 -0.97 -0.07 -3.45 0.00 0.00 179.45 175.14 3f90 h LEU 22 N 0.00 0.89 -1.04 5.20 3.38 -0.31 -2.79 115.31 120.64 3f90 h LEU 22 Ca -0.00 -0.68 0.02 0.00 0.09 0.00 0.00 57.88 57.30 3f90 h LEU 22 Cb 0.76 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.19 3f90 h LEU 22 CO 0.05 1.48 0.65 -0.08 0.09 0.00 0.00 178.44 180.63 3f90 h GLU 23 N 0.42 1.27 -0.48 1.13 4.81 -0.98 0.24 114.58 120.99 3f90 h GLU 23 Ca -0.11 -0.08 -0.03 0.00 -0.13 0.00 0.00 59.36 59.01 3f90 h GLU 23 Cb 1.62 -0.29 -0.02 0.00 0.63 0.00 0.00 28.75 30.69 3f90 h GLU 23 CO 0.19 0.84 0.17 1.49 -0.73 0.00 0.00 179.01 180.97 3f90 h GLU 24 N 1.30 0.73 0.00 1.92 4.81 -1.46 -0.97 114.58 120.92 3f90 h GLU 24 Ca 0.37 -0.15 -0.14 0.00 -0.13 0.00 0.00 59.36 59.31 3f90 h GLU 24 Cb -0.11 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.14 3f90 h GLU 24 CO -0.09 0.68 -0.68 -0.07 -0.73 0.00 0.00 179.01 178.12 3f90 h LEU 25 N 0.64 0.00 0.00 1.64 3.38 -1.11 -0.56 115.31 119.30 3f90 h LEU 25 Ca 0.16 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.07 3f90 h LEU 25 Cb 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3f90 h LEU 25 CO -0.01 0.68 -0.82 0.40 0.09 0.00 0.00 178.44 178.79 3f90 h ILE 26 N 0.00 0.26 0.08 1.22 2.04 -0.52 -3.15 117.51 117.44 3f90 h ILE 26 Ca -0.01 -1.43 -0.26 0.00 1.00 0.00 0.00 64.86 64.16 3f90 h ILE 26 Cb 1.31 1.88 -0.01 0.00 -0.74 0.00 0.00 36.82 39.26 3f90 h ILE 26 CO 0.09 0.15 -1.27 0.00 0.00 0.00 0.00 178.15 177.11 3f90 h ALA 27 N 1.78 0.26 0.00 1.87 0.00 -1.09 -3.02 119.26 119.06 3f90 h ALA 27 Ca -0.04 -0.99 -0.00 0.00 0.00 0.00 0.00 54.91 53.88 3f90 h ALA 27 Cb 1.20 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 3f90 h ALA 27 CO 0.02 1.14 -0.02 0.00 0.00 0.00 0.00 179.25 180.39 3f90 h ALA 28 N 0.72 1.22 -0.11 0.00 0.00 -1.13 0.16 119.26 120.11 3f90 h ALA 28 Ca -0.13 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3f90 h ALA 28 Cb 1.93 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.71 3f90 h ALA 28 CO 0.16 0.02 0.00 0.41 0.00 0.00 0.00 179.25 179.85 3f90 n GLY 29 N -1.02 -0.33 1.87 0.00 0.00 -1.18 -4.89 105.19 99.64 3f90 n GLY 29 Ca -0.03 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.76 3f90 n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f90 n GLY 30 N 0.89 0.50 3.94 -0.02 0.00 0.57 -5.03 105.19 106.03 3f90 n GLY 30 Ca 0.12 -0.29 -0.24 0.00 0.00 0.00 0.00 46.02 45.60 3f90 n GLY 30 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3f90 s HIS 31 N -2.00 3.49 -0.66 1.61 4.02 -1.15 -4.65 115.29 115.95 3f90 s HIS 31 Ca 0.00 0.31 -0.15 0.00 1.02 0.00 0.00 55.06 56.24 3f90 s HIS 31 Cb 0.00 -1.85 0.17 0.00 -1.02 0.00 0.00 32.58 29.88 3f90 s HIS 31 CO 0.00 0.23 0.61 -1.21 1.02 0.00 0.00 174.74 175.39 3f90 s GLU 32 N -3.99 3.22 0.48 1.40 2.02 0.23 -4.36 118.70 117.70 3f90 s GLU 32 Ca 0.39 -2.05 -0.03 0.00 0.02 0.00 0.00 54.97 53.30 3f90 s GLU 32 Cb -0.10 -4.33 -0.02 0.00 0.10 0.00 0.00 34.13 29.79 3f90 s GLU 32 CO 0.33 -1.30 0.76 0.14 0.02 0.00 0.00 175.26 175.20 3f90 s VAL 33 N 0.95 4.46 -0.09 2.63 -7.23 -1.26 -1.52 120.40 118.33 3f90 s VAL 33 Ca 0.10 -0.07 -0.03 0.00 -1.81 0.00 0.00 61.98 60.16 3f90 s VAL 33 Cb -0.21 -3.69 0.04 0.00 0.56 0.00 0.00 36.38 33.08 3f90 s VAL 33 CO -0.02 -0.62 0.06 -0.89 -0.31 0.00 0.00 175.10 173.32 3f90 s THR 34 N -2.71 -0.00 -0.26 5.32 2.01 -0.66 -4.90 115.64 114.43 3f90 s THR 34 Ca 0.48 0.15 -0.13 0.00 0.31 0.00 0.00 61.69 62.50 3f90 s THR 34 Cb -0.10 -0.38 -0.04 0.00 0.01 0.00 0.00 72.50 71.99 3f90 s THR 34 CO 0.42 0.03 0.31 -0.22 -0.69 0.00 0.00 174.62 174.47 3f90 s LEU 35 N 2.12 4.05 -0.04 4.42 2.96 -1.26 -1.44 118.68 129.49 3f90 s LEU 35 Ca 0.04 0.21 0.00 0.00 -0.22 0.00 0.00 54.13 54.16 3f90 s LEU 35 Cb -0.14 -2.32 0.03 0.00 0.50 0.00 0.00 46.19 44.26 3f90 s LEU 35 CO -0.05 -0.12 -0.01 -0.22 -1.32 0.00 0.00 176.35 174.63 3f90 s LEU 36 N 1.84 1.12 -0.00 -0.68 0.20 -0.10 -5.01 118.68 116.06 3f90 s LEU 36 Ca 0.12 -0.06 -0.30 0.00 0.69 0.00 0.00 54.13 54.58 3f90 s LEU 36 Cb -0.16 -0.31 -0.04 0.00 -0.43 0.00 0.00 46.19 45.26 3f90 s LEU 36 CO 0.10 -0.10 1.07 0.21 -0.29 0.00 0.00 176.35 177.34 3f90 s ASN 37 N 1.12 7.23 0.29 3.68 3.84 -1.26 -2.20 114.94 127.65 3f90 s ASN 37 Ca -0.08 1.77 0.03 0.00 0.21 0.00 0.00 52.86 54.79 3f90 s ASN 37 Cb -0.14 -2.57 0.76 0.00 -0.55 0.00 0.00 41.25 38.75 3f90 s ASN 37 CO -0.02 -0.38 1.64 0.00 -2.79 0.00 0.00 177.10 175.56 3f90 h ALA 38 N 6.92 1.35 -0.57 1.71 0.00 -0.88 0.81 119.26 128.59 3f90 h ALA 38 Ca -0.39 0.22 0.16 0.00 0.00 0.00 0.00 54.91 54.91 3f90 h ALA 38 Cb 1.20 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 19.28 3f90 h ALA 38 CO 0.80 -0.49 0.41 0.00 0.00 0.00 0.00 179.25 179.97 3f90 h ALA 39 N 1.80 2.52 -0.06 0.00 0.00 -1.80 0.22 119.26 121.93 3f90 h ALA 39 Ca 0.58 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.47 3f90 h ALA 39 Cb 1.18 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3f90 h ALA 39 CO -0.66 -0.68 0.00 -0.25 0.00 0.00 0.00 179.25 177.66 3f90 n ASP 40 N -4.37 1.99 -4.86 0.00 8.00 0.28 -4.96 116.55 112.63 3f90 n ASP 40 Ca 0.11 -1.68 -0.32 0.00 0.71 0.00 0.00 54.79 53.61 3f90 n ASP 40 Cb 0.64 -0.03 -0.06 0.00 -0.02 0.00 0.00 41.12 41.65 3f90 n ASP 40 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3f90 s ALA 41 N -1.95 3.36 -0.24 2.24 0.00 0.76 -4.96 121.76 120.98 3f90 s ALA 41 Ca 0.35 -0.05 0.03 0.00 0.00 0.00 0.00 51.96 52.29 3f90 s ALA 41 Cb 0.20 -2.71 0.05 0.00 0.00 0.00 0.00 23.12 20.67 3f90 s ALA 41 CO 0.32 0.30 -0.13 -1.12 0.00 0.00 0.00 175.76 175.13 3f90 s SER 42 N -2.44 4.14 0.43 0.00 0.01 -1.26 -5.02 113.70 109.56 3f90 s SER 42 Ca 0.53 -1.23 0.19 0.00 1.31 0.00 0.00 55.95 56.75 3f90 s SER 42 Cb -0.10 -1.52 1.13 0.00 0.21 0.00 0.00 66.02 65.73 3f90 s SER 42 CO 0.20 -0.15 1.87 0.00 0.41 0.00 0.00 173.24 175.57 3f90 h ALA 43 N 7.81 2.26 -2.09 1.44 0.00 -1.93 -3.37 119.26 123.39 3f90 h ALA 43 Ca -0.25 0.01 -0.57 0.00 0.00 0.00 0.00 54.91 54.10 3f90 h ALA 43 Cb 1.06 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 3f90 h ALA 43 CO 0.50 -0.54 1.35 -2.00 0.00 0.00 0.00 179.25 178.56 3f90 s GLU 44 N -5.37 3.53 -1.50 0.00 2.56 -1.26 -2.75 118.70 113.91 3f90 s GLU 44 Ca -0.08 2.11 -0.12 0.00 0.00 0.00 0.00 54.97 56.87 3f90 s GLU 44 Cb 0.22 -4.25 0.07 0.00 2.00 0.00 0.00 34.13 32.17 3f90 s GLU 44 CO 0.78 -1.64 0.99 0.09 -0.56 0.00 0.00 175.26 174.92 3f90 n ASN 45 N 9.92 -4.76 0.15 -1.70 3.02 -0.14 -4.87 115.26 116.89 3f90 n ASN 45 Ca 0.25 -0.76 0.01 0.00 -0.03 0.00 0.00 54.58 54.05 3f90 n ASN 45 Cb 0.44 -4.02 0.31 0.00 -0.61 0.00 0.00 39.78 35.90 3f90 n ASN 45 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 3f90 h LEU 46 N -2.15 0.08 -0.47 3.41 5.85 -1.28 -3.08 115.31 117.68 3f90 h LEU 46 Ca -0.58 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.11 3f90 h LEU 46 Cb 1.37 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.38 3f90 h LEU 46 CO 0.65 0.46 -0.51 0.00 -0.34 0.00 0.00 178.44 178.70 3f90 n ALA 47 N -2.47 3.64 -1.63 1.25 0.00 -1.13 -4.92 120.51 115.25 3f90 n ALA 47 Ca -0.02 -0.51 -0.46 0.00 0.00 0.00 0.00 53.44 52.46 3f90 n ALA 47 Cb 0.43 -0.96 -0.04 0.00 0.00 0.00 0.00 19.45 18.88 3f90 n ALA 47 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3f90 n ASP 48 N -0.77 3.45 0.00 0.00 9.92 -1.17 -1.28 116.55 126.70 3f90 n ASP 48 Ca 0.09 0.71 0.00 0.00 -0.53 0.00 0.00 54.79 55.06 3f90 n ASP 48 Cb 0.38 -1.44 0.00 0.00 -0.64 0.00 0.00 41.12 39.42 3f90 n ASP 48 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3f90 n GLY 49 N 5.01 0.63 3.47 0.44 0.00 -1.26 -5.08 105.19 108.39 3f90 n GLY 49 Ca 0.26 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.94 3f90 n GLY 49 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3f90 s TYR 50 N -2.00 3.02 0.34 1.61 1.51 -0.41 -4.71 117.35 116.71 3f90 s TYR 50 Ca 0.00 -0.38 0.21 0.00 -1.01 0.00 0.00 57.07 55.89 3f90 s TYR 50 Cb 0.00 -1.99 1.06 0.00 -0.11 0.00 0.00 41.96 40.92 3f90 s TYR 50 CO 0.00 -0.12 1.93 -0.44 -1.11 0.00 0.00 175.55 175.81 3f90 h ASP 51 N 6.96 0.00 -4.54 2.29 3.32 -1.10 -3.45 116.42 119.89 3f90 h ASP 51 Ca -0.32 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.60 3f90 h ASP 51 Cb 1.19 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.52 3f90 h ASP 51 CO 0.62 0.24 -0.30 0.00 -1.72 0.00 0.00 179.24 178.07 3f90 s ALA 52 N -4.08 -0.79 -0.14 3.45 0.00 -1.23 -2.85 121.76 116.12 3f90 s ALA 52 Ca -0.02 0.55 0.01 0.00 0.00 0.00 0.00 51.96 52.51 3f90 s ALA 52 Cb 0.13 -0.17 0.02 0.00 0.00 0.00 0.00 23.12 23.10 3f90 s ALA 52 CO 0.65 -0.22 -0.17 0.08 0.00 0.00 0.00 175.76 176.10 3f90 s VAL 53 N -0.74 1.70 -0.25 0.00 1.01 0.14 -0.49 120.40 121.77 3f90 s VAL 53 Ca -0.08 -0.73 -0.08 0.00 0.00 0.00 0.00 61.98 61.08 3f90 s VAL 53 Cb -0.04 -1.55 -0.03 0.00 0.00 0.00 0.00 36.38 34.75 3f90 s VAL 53 CO 0.03 0.48 0.10 -0.76 0.00 0.00 0.00 175.10 174.94 3f90 s LEU 54 N 1.20 3.58 -0.14 3.92 1.43 0.18 -2.48 118.68 126.37 3f90 s LEU 54 Ca -0.01 -0.15 -0.05 0.00 -1.03 0.00 0.00 54.13 52.89 3f90 s LEU 54 Cb -0.14 -1.97 -0.04 0.00 0.03 0.00 0.00 46.19 44.07 3f90 s LEU 54 CO -0.07 -0.03 0.05 -0.36 0.23 0.00 0.00 176.35 176.16 3f90 s PHE 55 N 1.62 3.26 -0.03 0.29 0.40 -0.69 -0.07 117.98 122.75 3f90 s PHE 55 Ca 0.06 0.15 0.05 0.00 -0.60 0.00 0.00 56.93 56.59 3f90 s PHE 55 Cb -0.15 -1.95 -0.01 0.00 0.51 0.00 0.00 43.02 41.42 3f90 s PHE 55 CO 0.05 0.33 -0.18 0.20 0.70 0.00 0.00 175.22 176.33 3f90 s GLY 56 N -0.26 0.91 -0.30 4.36 0.00 0.12 -1.46 107.32 110.69 3f90 s GLY 56 Ca 0.07 -0.74 -0.10 0.00 0.00 0.00 0.00 44.72 43.95 3f90 s GLY 56 CO 0.02 -0.51 0.67 0.00 0.00 0.00 0.00 173.10 173.28 3f90 s SER 58 N 2.86 6.00 0.16 0.00 1.04 -1.20 -4.57 113.70 118.00 3f90 s SER 58 Ca -0.04 1.18 0.08 0.00 0.48 0.00 0.00 55.95 57.65 3f90 s SER 58 Cb -0.12 -2.23 -0.04 0.00 0.10 0.00 0.00 66.02 63.73 3f90 s SER 58 CO -0.19 -0.93 -0.09 0.00 0.98 0.00 0.00 173.24 173.01 3f90 s ALA 59 N -3.11 2.95 0.00 5.32 0.00 -1.26 -0.50 121.76 125.16 3f90 s ALA 59 Ca 0.54 -1.40 0.00 0.00 0.00 0.00 0.00 51.96 51.10 3f90 s ALA 59 Cb -0.11 -0.79 0.00 0.00 0.00 0.00 0.00 23.12 22.22 3f90 s ALA 59 CO 0.51 0.52 0.80 0.91 0.00 0.00 0.00 175.76 178.50 3f90 n TRP 60 N 0.23 0.00 -3.29 0.00 7.02 0.89 -4.88 117.44 117.41 3f90 n TRP 60 Ca -0.12 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.03 3f90 n TRP 60 Cb 0.54 -0.01 -0.06 0.00 -2.42 0.00 0.00 31.31 29.37 3f90 n TRP 60 CO 0.00 0.00 0.00 0.20 -2.02 0.00 0.00 177.69 175.87 3f90 s GLY 61 N -0.63 2.39 -0.20 6.99 0.00 -1.24 -4.89 107.32 109.73 3f90 s GLY 61 Ca 0.00 -0.10 -0.16 0.00 0.00 0.00 0.00 44.72 44.46 3f90 s GLY 61 CO 0.00 0.12 0.16 -0.13 0.00 0.00 0.00 173.10 173.26 3f90 n MET 62 N 0.18 0.63 -0.13 2.90 1.56 -1.26 -4.67 117.12 116.34 3f90 n MET 62 Ca -0.01 0.43 -0.26 0.00 -0.27 0.00 0.00 57.70 57.59 3f90 n MET 62 Cb 0.52 -1.70 -0.09 0.00 2.15 0.00 0.00 33.22 34.11 3f90 n MET 62 CO 0.00 0.00 0.00 0.39 -0.73 0.00 0.00 175.97 175.63 3f90 n GLU 63 N -4.10 0.53 -2.91 2.12 1.02 -1.26 -4.71 120.64 111.33 3f90 n GLU 63 Ca -0.36 0.23 -0.19 0.00 -0.02 0.00 0.00 57.16 56.82 3f90 n GLU 63 Cb 0.82 -1.39 0.04 0.00 -0.02 0.00 0.00 31.44 30.89 3f90 n GLU 63 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3f90 s ASP 64 N -7.20 5.28 -0.18 1.62 1.11 -1.26 -4.92 116.67 111.12 3f90 s ASP 64 Ca -0.35 -0.49 -0.29 0.00 0.18 0.00 0.00 52.55 51.60 3f90 s ASP 64 Cb 0.13 -0.32 0.00 0.00 1.07 0.00 0.00 42.92 43.81 3f90 s ASP 64 CO 0.44 -1.13 1.03 -0.22 1.18 0.00 0.00 175.17 176.47 3f90 s LEU 65 N -4.60 4.16 -0.17 1.23 1.98 -1.26 -4.14 118.68 115.87 3f90 s LEU 65 Ca 0.59 1.44 -0.01 0.00 -2.89 0.00 0.00 54.13 53.25 3f90 s LEU 65 Cb -0.08 -3.55 0.05 0.00 0.66 0.00 0.00 46.19 43.27 3f90 s LEU 65 CO 0.37 -0.58 -0.02 -0.70 -1.89 0.00 0.00 176.35 173.53 3f90 s GLU 66 N 2.74 1.08 0.33 1.98 2.12 -1.26 -4.88 118.70 120.81 3f90 s GLU 66 Ca 0.46 -0.44 -0.28 0.00 0.36 0.00 0.00 54.97 55.07 3f90 s GLU 66 Cb -0.16 -1.95 -0.09 0.00 0.26 0.00 0.00 34.13 32.18 3f90 s GLU 66 CO 0.11 -0.50 1.17 -1.64 -0.54 0.00 0.00 175.26 173.86 3f90 s MET 67 N 1.73 4.38 0.11 4.30 -1.94 -1.26 -0.08 119.30 126.54 3f90 s MET 67 Ca 0.00 1.90 -0.34 0.00 -1.71 0.00 0.00 55.69 55.54 3f90 s MET 67 Cb -0.16 -2.98 -0.18 0.00 2.01 0.00 0.00 34.83 33.52 3f90 s MET 67 CO -0.07 -0.06 0.94 0.94 -0.01 0.00 0.00 175.02 176.76 3f90 n GLN 68 N 0.71 0.35 -0.13 2.03 0.00 0.34 -4.57 117.38 116.11 3f90 n GLN 68 Ca 0.01 0.12 -0.04 0.00 -0.00 0.00 0.00 57.00 57.10 3f90 n GLN 68 Cb 0.45 -1.47 0.04 0.00 0.00 0.00 0.00 30.24 29.26 3f90 n GLN 68 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.06 177.28 3f90 h ASP 69 N 2.53 -0.06 -0.57 1.69 1.82 -1.92 -0.37 116.42 119.54 3f90 h ASP 69 Ca -0.42 0.08 -0.04 0.00 -0.39 0.00 0.00 57.03 56.27 3f90 h ASP 69 Cb 1.41 0.13 -0.03 0.00 0.68 0.00 0.00 39.33 41.52 3f90 h ASP 69 CO 0.64 0.00 0.22 0.44 -1.61 0.00 0.00 179.24 178.93 3f90 h ASP 70 N 0.18 0.83 0.84 2.28 3.32 -1.96 -2.23 116.42 119.69 3f90 h ASP 70 Ca 0.22 -0.12 -0.19 0.00 0.02 0.00 0.00 57.03 56.95 3f90 h ASP 70 Cb 0.29 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 3f90 h ASP 70 CO -0.31 0.77 -0.90 0.15 -1.72 0.00 0.00 179.24 177.23 3f90 h PHE 71 N 0.89 0.05 -1.01 4.55 3.57 -1.76 -3.23 116.94 120.00 3f90 h PHE 71 Ca 0.20 -0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.68 3f90 h PHE 71 Cb 0.21 -0.00 -0.05 0.00 2.79 0.00 0.00 35.95 38.90 3f90 h PHE 71 CO 0.01 0.91 0.67 1.25 -2.23 0.00 0.00 178.31 178.92 3f90 h LEU 72 N 0.01 1.16 -1.95 0.59 5.85 -0.51 0.90 115.31 121.37 3f90 h LEU 72 Ca -0.02 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.65 3f90 h LEU 72 Cb 1.57 -0.29 -0.00 0.00 0.37 0.00 0.00 40.66 42.31 3f90 h LEU 72 CO 0.12 0.84 -0.11 0.28 -0.34 0.00 0.00 178.44 179.23 3f90 h SER 73 N 1.37 0.00 0.40 1.25 0.02 -1.48 -2.37 113.55 112.74 3f90 h SER 73 Ca 0.37 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 61.01 3f90 h SER 73 Cb -0.16 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.34 3f90 h SER 73 CO -0.08 0.11 -1.80 -0.11 -1.14 0.00 0.00 176.83 173.81 3f90 n LEU 74 N -3.68 1.18 -0.19 5.07 7.94 0.05 -4.03 117.00 123.34 3f90 n LEU 74 Ca -0.02 0.35 -0.03 0.00 -1.11 0.00 0.00 56.01 55.20 3f90 n LEU 74 Cb 0.22 -0.07 0.16 0.00 0.53 0.00 0.00 43.42 44.27 3f90 n LEU 74 CO 0.30 0.48 1.02 0.15 -1.11 0.00 0.00 177.39 178.23 3f90 h PHE 75 N 0.01 0.97 0.00 1.96 3.57 0.92 -1.99 116.94 122.39 3f90 h PHE 75 Ca -0.33 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.10 3f90 h PHE 75 Cb 2.03 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 40.48 3f90 h PHE 75 CO 0.01 0.77 0.00 0.93 -2.23 0.00 0.00 178.31 177.80 3f90 h GLU 76 N 0.93 0.00 -0.01 1.11 5.08 -1.57 -2.41 114.58 117.71 3f90 h GLU 76 Ca 0.21 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.57 3f90 h GLU 76 Cb 0.24 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 3f90 h GLU 76 CO -0.01 0.00 -0.37 0.39 -1.00 0.00 0.00 179.01 178.02 3f90 n GLU 77 N -2.41 1.54 0.31 2.33 1.02 -0.76 -4.72 120.64 117.95 3f90 n GLU 77 Ca -0.00 -3.14 0.19 0.00 -0.02 0.00 0.00 57.16 54.19 3f90 n GLU 77 Cb 0.14 -1.60 1.03 0.00 -0.02 0.00 0.00 31.44 30.99 3f90 n GLU 77 CO 0.00 0.00 0.00 0.74 1.18 0.00 0.00 177.13 179.05 3f90 h PHE 78 N 0.78 0.00 0.00 -0.32 -1.00 -1.26 -1.63 116.94 113.52 3f90 h PHE 78 Ca 0.01 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.79 3f90 h PHE 78 Cb 1.02 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.58 3f90 h PHE 78 CO 0.60 0.01 0.00 0.38 -1.61 0.00 0.00 178.31 177.69 3f90 h ASP 79 N 0.00 0.00 0.07 2.17 2.03 -1.85 -3.12 116.42 115.72 3f90 h ASP 79 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3f90 h ASP 79 Cb 0.07 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.57 3f90 h ASP 79 CO 0.00 0.00 -0.61 0.54 -1.03 0.00 0.00 179.24 178.14 3f90 n ARG 80 N -2.79 0.68 -0.03 4.15 1.74 -0.61 -4.44 116.66 115.36 3f90 n ARG 80 Ca 0.03 -0.53 -0.13 0.00 -0.77 0.00 0.00 57.85 56.45 3f90 n ARG 80 Cb 0.41 -1.49 -0.09 0.00 -1.02 0.00 0.00 32.46 30.27 3f90 n ARG 80 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 3f90 h ILE 81 N 1.30 1.36 -0.49 0.55 2.04 -1.46 -0.34 117.51 120.48 3f90 h ILE 81 Ca 0.00 -1.15 0.00 0.00 1.00 0.00 0.00 64.86 64.71 3f90 h ILE 81 Cb 0.62 2.02 0.00 0.00 -0.74 0.00 0.00 36.82 38.72 3f90 h ILE 81 CO 0.00 0.31 0.00 0.61 0.00 0.00 0.00 178.15 179.07 3f90 n GLY 82 N 0.16 0.86 0.45 5.37 0.00 -1.26 -2.39 105.19 108.37 3f90 n GLY 82 Ca -0.08 -0.65 0.13 0.00 0.00 0.00 0.00 46.02 45.42 3f90 n GLY 82 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3f90 n LEU 83 N -0.24 1.63 -4.51 0.99 4.77 -1.26 -4.68 117.00 113.69 3f90 n LEU 83 Ca 0.00 -0.53 -0.46 0.00 -0.03 0.00 0.00 56.01 54.99 3f90 n LEU 83 Cb 0.08 -0.05 -0.06 0.00 -2.33 0.00 0.00 43.42 41.07 3f90 n LEU 83 CO 0.00 0.29 1.86 0.00 -1.33 0.00 0.00 177.39 178.21 3f90 n ALA 84 N -0.06 1.24 -0.25 -1.18 0.00 -1.20 -1.34 120.51 117.71 3f90 n ALA 84 Ca 0.13 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3f90 n ALA 84 Cb 0.41 -2.73 0.00 0.00 0.00 0.00 0.00 19.45 17.13 3f90 n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3f90 n GLY 85 N 6.25 1.61 3.82 0.00 0.00 0.11 -4.89 105.19 112.10 3f90 n GLY 85 Ca 0.38 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.03 3f90 n GLY 85 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3f90 s ARG 86 N -0.31 4.12 0.25 1.61 0.52 -0.45 -4.69 118.95 120.00 3f90 s ARG 86 Ca 0.00 0.66 -0.30 0.00 -0.52 0.00 0.00 55.73 55.57 3f90 s ARG 86 Cb 0.00 -3.08 -0.09 0.00 0.52 0.00 0.00 34.95 32.30 3f90 s ARG 86 CO 0.00 0.55 1.28 0.15 0.02 0.00 0.00 175.30 177.29 3f90 s LYS 87 N -1.55 4.42 0.01 3.54 1.02 -1.13 -1.35 119.74 124.69 3f90 s LYS 87 Ca 0.34 2.06 -0.01 0.00 0.02 0.00 0.00 55.97 58.39 3f90 s LYS 87 Cb -0.17 -3.16 -0.01 0.00 -0.52 0.00 0.00 37.83 33.97 3f90 s LYS 87 CO 0.19 -0.16 0.00 0.08 -0.92 0.00 0.00 175.35 174.54 3f90 s VAL 88 N -0.45 0.05 -0.01 3.17 1.01 0.51 -0.68 120.40 124.00 3f90 s VAL 88 Ca 0.52 -0.43 -0.10 0.00 0.00 0.00 0.00 61.98 61.98 3f90 s VAL 88 Cb -0.37 -0.15 0.01 0.00 0.00 0.00 0.00 36.38 35.88 3f90 s VAL 88 CO 0.43 -0.23 0.21 0.00 0.00 0.00 0.00 175.10 175.51 3f90 s ALA 89 N -0.69 -0.53 0.11 5.51 0.00 -1.04 -2.37 121.76 122.76 3f90 s ALA 89 Ca -0.08 0.11 0.09 0.00 0.00 0.00 0.00 51.96 52.09 3f90 s ALA 89 Cb -0.05 0.06 -0.04 0.00 0.00 0.00 0.00 23.12 23.09 3f90 s ALA 89 CO -0.00 -0.22 -0.20 0.00 0.00 0.00 0.00 175.76 175.34 3f90 s ALA 90 N -1.24 2.61 0.24 0.00 0.00 -1.26 -1.71 121.76 120.40 3f90 s ALA 90 Ca -0.13 -1.36 -0.11 0.00 0.00 0.00 0.00 51.96 50.36 3f90 s ALA 90 Cb -0.06 -0.60 -0.01 0.00 0.00 0.00 0.00 23.12 22.45 3f90 s ALA 90 CO 0.03 0.58 0.43 -0.59 0.00 0.00 0.00 175.76 176.20 3f90 s PHE 91 N -1.10 0.51 -0.07 0.00 -0.71 -0.54 -0.13 117.98 115.93 3f90 s PHE 91 Ca 0.17 -0.85 -0.32 0.00 -1.04 0.00 0.00 56.93 54.89 3f90 s PHE 91 Cb -0.10 0.07 0.14 0.00 -1.21 0.00 0.00 43.02 41.91 3f90 s PHE 91 CO 0.09 -0.95 1.38 0.00 -1.34 0.00 0.00 175.22 174.39 3f90 s ALA 92 N -3.99 -2.39 0.06 1.99 0.00 -0.48 -2.73 121.76 114.22 3f90 s ALA 92 Ca 0.25 0.90 0.06 0.00 0.00 0.00 0.00 51.96 53.18 3f90 s ALA 92 Cb 0.00 0.25 -0.04 0.00 0.00 0.00 0.00 23.12 23.34 3f90 s ALA 92 CO 0.10 -1.03 -0.12 0.45 0.00 0.00 0.00 175.76 175.16 3f90 s SER 93 N -2.94 4.28 0.25 0.00 0.15 -1.26 -3.10 113.70 111.07 3f90 s SER 93 Ca 0.14 -0.34 -0.09 0.00 0.70 0.00 0.00 55.95 56.37 3f90 s SER 93 Cb 0.06 -0.83 0.04 0.00 -1.71 0.00 0.00 66.02 63.58 3f90 s SER 93 CO -0.05 0.23 0.49 0.61 1.20 0.00 0.00 173.24 175.71 3f90 n GLY 94 N 1.16 1.38 3.06 9.45 0.00 0.16 -4.34 105.19 116.05 3f90 n GLY 94 Ca -0.15 -1.17 -0.25 0.00 0.00 0.00 0.00 46.02 44.45 3f90 n GLY 94 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3f90 s ASP 95 N -2.29 1.92 0.49 1.61 -1.08 -1.26 -4.10 116.67 111.96 3f90 s ASP 95 Ca 0.10 -0.32 0.29 0.00 -0.52 0.00 0.00 52.55 52.09 3f90 s ASP 95 Cb -0.03 -0.82 0.91 0.00 -1.46 0.00 0.00 42.92 41.52 3f90 s ASP 95 CO 0.07 0.06 1.81 1.56 0.52 0.00 0.00 175.17 179.20 3f90 h GLN 96 N 6.81 0.00 -0.36 4.34 4.20 -1.99 -2.78 115.11 125.32 3f90 h GLN 96 Ca -0.30 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.41 3f90 h GLN 96 Cb 1.19 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.97 3f90 h GLN 96 CO 0.48 0.00 0.00 0.39 -0.67 0.00 0.00 178.83 179.03 3f90 n GLU 97 N -3.05 0.72 -4.54 1.46 1.02 -1.26 -4.73 120.64 110.25 3f90 n GLU 97 Ca 0.02 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.87 3f90 n GLU 97 Cb 0.40 -1.18 -0.08 0.00 -0.02 0.00 0.00 31.44 30.56 3f90 n GLU 97 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3f90 s TYR 98 N -1.49 2.20 -0.19 -0.32 1.51 -1.05 -5.08 117.35 112.94 3f90 s TYR 98 Ca 0.00 -0.78 0.21 0.00 -1.01 0.00 0.00 57.07 55.49 3f90 s TYR 98 Cb 0.00 -1.75 -0.08 0.00 -0.11 0.00 0.00 41.96 40.02 3f90 s TYR 98 CO 0.00 0.25 0.91 -1.91 -1.11 0.00 0.00 175.55 173.68 3f90 n GLU 99 N -1.19 0.62 -3.08 -0.62 2.13 -1.26 -4.36 120.64 112.87 3f90 n GLU 99 Ca -0.10 0.09 -0.26 0.00 0.66 0.00 0.00 57.16 57.56 3f90 n GLU 99 Cb 0.66 -1.77 -0.05 0.00 0.27 0.00 0.00 31.44 30.55 3f90 n GLU 99 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 3f90 n HIS 100 N -2.65 3.30 -1.55 4.31 8.25 -1.26 -5.05 115.22 120.56 3f90 n HIS 100 Ca -0.03 -3.99 -0.49 0.00 -0.26 0.00 0.00 57.72 52.96 3f90 n HIS 100 Cb 0.61 -0.49 -0.05 0.00 1.12 0.00 0.00 29.99 31.18 3f90 n HIS 100 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3f90 n PHE 101 N 0.11 1.90 -3.95 4.41 7.35 -1.26 -0.52 117.46 125.50 3f90 n PHE 101 Ca 0.30 0.11 -0.32 0.00 -0.76 0.00 0.00 57.45 56.78 3f90 n PHE 101 Cb 0.43 -2.61 -0.03 0.00 0.35 0.00 0.00 39.48 37.62 3f90 n PHE 101 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3f90 n GLY 103 N -1.16 -0.64 0.14 0.00 0.00 0.33 -1.27 105.19 102.59 3f90 n GLY 103 Ca 0.06 -0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.15 3f90 n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f90 h ALA 104 N 2.64 0.64 0.97 4.61 0.00 -1.82 -3.31 119.26 122.99 3f90 h ALA 104 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3f90 h ALA 104 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.80 3f90 h ALA 104 CO 0.00 0.00 -0.47 0.28 0.00 0.00 0.00 179.25 179.06 3f90 h VAL 105 N 0.00 0.03 -0.79 0.00 2.07 -1.45 -0.81 116.25 115.31 3f90 h VAL 105 Ca 0.00 -0.02 0.02 0.00 0.82 0.00 0.00 66.70 67.52 3f90 h VAL 105 Cb 0.99 0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 30.76 3f90 h VAL 105 CO 0.00 0.00 0.52 1.55 0.02 0.00 0.00 177.57 179.66 3f90 h PRO 106 N -1.32 0.99 -0.51 1.57 0.13 -1.75 -1.55 132.00 129.55 3f90 h PRO 106 Ca -0.13 -0.06 0.05 0.00 -0.87 0.00 0.00 66.00 64.99 3f90 h PRO 106 Cb 1.00 -0.22 -0.05 0.00 0.13 0.00 0.00 31.00 31.86 3f90 h PRO 106 CO 0.22 0.65 0.25 0.00 -0.23 0.00 0.00 178.00 178.89 3f90 h ALA 107 N 1.52 0.66 -0.24 -0.56 0.00 -1.61 -1.65 119.26 117.38 3f90 h ALA 107 Ca 0.30 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 3f90 h ALA 107 Cb -0.05 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3f90 h ALA 107 CO -0.08 -0.10 0.09 0.82 0.00 0.00 0.00 179.25 179.98 3f90 h ILE 108 N 0.49 1.18 0.39 0.00 2.04 -0.64 -2.86 117.51 118.11 3f90 h ILE 108 Ca 0.23 -0.55 -0.02 0.00 1.00 0.00 0.00 64.86 65.52 3f90 h ILE 108 Cb 0.16 1.10 0.00 0.00 -0.74 0.00 0.00 36.82 37.34 3f90 h ILE 108 CO -0.17 0.18 -0.19 -0.33 0.00 0.00 0.00 178.15 177.64 3f90 h GLU 109 N 0.22 -0.51 0.22 2.37 5.08 -0.94 -1.66 114.58 119.35 3f90 h GLU 109 Ca 0.08 0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.48 3f90 h GLU 109 Cb 0.20 0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 3f90 h GLU 109 CO -0.01 -0.30 -0.35 0.93 -1.00 0.00 0.00 179.01 178.28 3f90 h GLU 110 N -0.59 -0.62 -0.56 2.33 3.07 -1.39 0.25 114.58 117.07 3f90 h GLU 110 Ca -0.05 0.04 0.16 0.00 -0.50 0.00 0.00 59.36 59.01 3f90 h GLU 110 Cb 0.44 0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 28.47 3f90 h GLU 110 CO 0.09 -0.41 0.44 -0.09 -1.40 0.00 0.00 179.01 177.63 3f90 h ARG 111 N -0.64 0.00 0.02 2.33 9.65 -1.52 0.19 114.38 124.41 3f90 h ARG 111 Ca 0.01 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.89 3f90 h ARG 111 Cb 0.63 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.21 3f90 h ARG 111 CO -0.15 0.00 -0.01 0.00 2.80 0.00 0.00 179.97 182.61 3f90 h ALA 112 N 1.66 -0.03 -1.00 2.80 0.00 -0.17 -2.88 119.26 119.63 3f90 h ALA 112 Ca 0.27 -0.34 0.12 0.00 0.00 0.00 0.00 54.91 54.96 3f90 h ALA 112 Cb 1.14 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.85 3f90 h ALA 112 CO -0.00 -0.06 0.63 0.87 0.00 0.00 0.00 179.25 180.68 3f90 h LYS 113 N -0.94 0.96 -0.87 0.00 1.57 -0.03 -0.12 116.57 117.13 3f90 h LYS 113 Ca -0.00 -0.06 0.10 0.00 -1.87 0.00 0.00 60.65 58.82 3f90 h LYS 113 Cb 0.69 -0.22 -0.06 0.00 0.08 0.00 0.00 32.23 32.72 3f90 h LYS 113 CO 0.01 0.64 0.56 0.93 -0.57 0.00 0.00 179.45 181.02 3f90 h GLU 114 N 0.99 0.82 -0.32 3.15 5.08 -0.70 -1.13 114.58 122.47 3f90 h GLU 114 Ca 0.50 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.81 3f90 h GLU 114 Cb 0.50 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.56 3f90 h GLU 114 CO -0.27 0.54 0.00 1.28 -1.00 0.00 0.00 179.01 179.57 3f90 n LEU 115 N -4.53 1.83 0.00 1.33 4.77 -0.15 -4.89 117.00 115.36 3f90 n LEU 115 Ca 0.15 -0.90 0.00 0.00 -0.03 0.00 0.00 56.01 55.23 3f90 n LEU 115 Cb 0.32 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 3f90 n LEU 115 CO 0.31 0.45 0.00 0.61 -1.33 0.00 0.00 177.39 177.43 3f90 n GLY 116 N 1.06 0.86 3.85 -0.72 0.00 -0.43 -3.26 105.19 106.56 3f90 n GLY 116 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 3f90 n GLY 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f90 s ALA 117 N -2.05 3.11 -0.30 4.61 0.00 -0.63 0.09 121.76 126.59 3f90 s ALA 117 Ca 0.00 0.13 -0.07 0.00 0.00 0.00 0.00 51.96 52.01 3f90 s ALA 117 Cb 0.00 -3.06 0.01 0.00 0.00 0.00 0.00 23.12 20.07 3f90 s ALA 117 CO 0.00 -0.21 0.10 0.99 0.00 0.00 0.00 175.76 176.64 3f90 s THR 118 N -2.59 4.08 0.11 0.00 2.01 -0.46 -4.15 115.64 114.63 3f90 s THR 118 Ca 0.58 -0.68 -0.31 0.00 0.31 0.00 0.00 61.69 61.59 3f90 s THR 118 Cb -0.10 -3.12 -0.08 0.00 0.01 0.00 0.00 72.50 69.21 3f90 s THR 118 CO 0.31 0.05 1.47 -0.63 -0.69 0.00 0.00 174.62 175.14 3f90 s ILE 119 N 1.51 3.13 -0.94 1.82 -1.09 -1.25 -0.36 121.20 124.02 3f90 s ILE 119 Ca 0.03 0.76 0.09 0.00 -2.23 0.00 0.00 60.65 59.30 3f90 s ILE 119 Cb -0.17 -3.49 0.15 0.00 -1.58 0.00 0.00 42.46 37.37 3f90 s ILE 119 CO 0.03 0.04 0.97 2.30 -1.23 0.00 0.00 174.94 177.06 3f90 n ILE 120 N 4.14 0.45 -3.54 2.92 -5.35 -1.00 -4.88 119.36 112.10 3f90 n ILE 120 Ca 0.13 -0.72 -0.10 0.00 -0.27 0.00 0.00 62.75 61.79 3f90 n ILE 120 Cb 0.41 0.88 -0.04 0.00 -1.74 0.00 0.00 39.64 39.15 3f90 n ILE 120 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3f90 s ALA 121 N -0.86 -1.88 -0.12 -1.28 0.00 -1.26 -4.59 121.76 111.78 3f90 s ALA 121 Ca 0.14 1.31 -0.30 0.00 0.00 0.00 0.00 51.96 53.11 3f90 s ALA 121 Cb 0.08 -0.13 -0.03 0.00 0.00 0.00 0.00 23.12 23.05 3f90 s ALA 121 CO 0.12 -0.50 1.29 -2.00 0.00 0.00 0.00 175.76 174.67 3f90 s GLU 122 N -2.10 4.26 0.15 0.00 2.12 -1.26 -4.75 118.70 117.13 3f90 s GLU 122 Ca 0.01 1.73 -0.26 0.00 0.36 0.00 0.00 54.97 56.82 3f90 s GLU 122 Cb -0.01 -3.71 -0.15 0.00 0.26 0.00 0.00 34.13 30.52 3f90 s GLU 122 CO -0.03 -0.64 0.52 0.41 -0.54 0.00 0.00 175.26 174.98 3f90 n GLY 123 N 3.60 -1.35 3.56 -1.50 0.00 -1.26 -4.90 105.19 103.34 3f90 n GLY 123 Ca 0.13 0.35 -0.41 0.00 0.00 0.00 0.00 46.02 46.09 3f90 n GLY 123 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3f90 s LEU 124 N 2.25 4.32 -0.18 0.99 2.96 0.81 -4.96 118.68 124.86 3f90 s LEU 124 Ca 0.59 -0.01 0.01 0.00 -0.22 0.00 0.00 54.13 54.50 3f90 s LEU 124 Cb -0.85 -2.50 0.01 0.00 0.50 0.00 0.00 46.19 43.35 3f90 s LEU 124 CO 0.49 -0.39 -0.18 -0.54 -1.32 0.00 0.00 176.35 174.41 3f90 s LYS 125 N 2.24 3.05 0.11 1.98 1.02 -1.26 -1.38 119.74 125.50 3f90 s LYS 125 Ca 0.16 -0.80 -0.00 0.00 0.02 0.00 0.00 55.97 55.35 3f90 s LYS 125 Cb -0.16 -2.61 0.00 0.00 -0.52 0.00 0.00 37.83 34.54 3f90 s LYS 125 CO 0.12 -0.17 0.14 0.00 -0.92 0.00 0.00 175.35 174.52 3f90 n MET 126 N 4.54 0.20 -4.47 1.68 0.00 -1.18 -5.03 117.12 112.87 3f90 n MET 126 Ca -0.20 -0.91 -0.24 0.00 0.00 0.00 0.00 57.70 56.35 3f90 n MET 126 Cb 0.50 0.85 -0.10 0.00 0.00 0.00 0.00 33.22 34.47 3f90 n MET 126 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 3f90 s GLU 127 N -2.28 1.66 3.59 3.17 2.02 -1.26 -0.67 118.70 124.94 3f90 s GLU 127 Ca 0.10 -1.78 0.00 0.00 0.02 0.00 0.00 54.97 53.30 3f90 s GLU 127 Cb -0.00 -1.65 0.00 0.00 0.10 0.00 0.00 34.13 32.58 3f90 s GLU 127 CO 0.07 0.26 0.00 0.41 0.02 0.00 0.00 175.26 176.02 3f90 n GLY 128 N -0.62 0.92 0.00 -1.39 0.00 -1.26 -4.66 105.19 98.18 3f90 n GLY 128 Ca -0.05 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.26 3f90 n GLY 128 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3f90 n ASP 129 N -2.82 0.00 0.16 1.61 3.85 -1.26 -4.65 116.55 113.43 3f90 n ASP 129 Ca 0.00 -0.73 0.01 0.00 -0.71 0.00 0.00 54.79 53.36 3f90 n ASP 129 Cb 0.00 0.00 0.25 0.00 -1.35 0.00 0.00 41.12 40.02 3f90 n ASP 129 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3f90 h ALA 130 N -1.03 1.08 0.00 2.12 0.00 -1.80 -2.94 119.26 116.70 3f90 h ALA 130 Ca 0.00 -0.47 -0.06 0.00 0.00 0.00 0.00 54.91 54.39 3f90 h ALA 130 Cb 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3f90 h ALA 130 CO 0.00 0.64 -0.28 0.66 0.00 0.00 0.00 179.25 180.28 3f90 h SER 131 N 0.00 0.00 0.85 0.00 4.64 -1.94 -2.83 113.55 114.27 3f90 h SER 131 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3f90 h SER 131 Cb 0.95 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 3f90 h SER 131 CO 0.07 0.28 0.00 -1.13 -0.87 0.00 0.00 176.83 175.17 3f90 h ASN 132 N 0.00 0.00 0.00 4.97 -1.24 -1.81 -3.37 115.58 114.13 3f90 h ASN 132 Ca -0.00 0.00 -0.19 0.00 0.71 0.00 0.00 56.30 56.82 3f90 h ASN 132 Cb 0.90 0.00 -0.14 0.00 0.73 0.00 0.00 38.32 39.81 3f90 h ASN 132 CO 0.04 0.00 -0.38 -0.67 -1.29 0.00 0.00 177.43 175.12 3f90 n ASP 133 N -2.59 -2.48 0.26 1.15 -0.08 -1.15 -5.01 116.55 106.64 3f90 n ASP 133 Ca 0.01 -3.04 0.13 0.00 -1.51 0.00 0.00 54.79 50.38 3f90 n ASP 133 Cb 0.26 1.63 0.67 0.00 2.34 0.00 0.00 41.12 46.02 3f90 n ASP 133 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3f90 h PRO 134 N 3.64 0.00 -0.10 -0.67 0.13 -1.68 -2.44 132.00 130.88 3f90 h PRO 134 Ca -0.16 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.78 3f90 h PRO 134 Cb 1.08 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 3f90 h PRO 134 CO 0.20 0.13 -0.71 0.93 -0.23 0.00 0.00 178.00 178.31 3f90 h GLU 135 N 0.00 0.48 -0.08 0.86 5.08 -1.95 -0.11 114.58 118.86 3f90 h GLU 135 Ca -0.00 -0.38 -0.21 0.00 -1.00 0.00 0.00 59.36 57.78 3f90 h GLU 135 Cb 0.47 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.80 3f90 h GLU 135 CO 0.02 1.01 -0.80 0.00 -1.00 0.00 0.00 179.01 178.23 3f90 h ALA 136 N 0.89 0.46 -0.03 3.43 0.00 -1.85 0.26 119.26 122.42 3f90 h ALA 136 Ca -0.03 -0.63 -0.00 0.00 0.00 0.00 0.00 54.91 54.25 3f90 h ALA 136 Cb 1.29 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 3f90 h ALA 136 CO 0.13 0.75 0.01 0.28 0.00 0.00 0.00 179.25 180.41 3f90 h VAL 137 N 0.34 1.19 0.31 0.00 2.07 -1.44 -2.85 116.25 115.88 3f90 h VAL 137 Ca -0.05 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 66.90 3f90 h VAL 137 Cb 1.41 1.52 -0.03 0.00 -1.52 0.00 0.00 31.29 32.67 3f90 h VAL 137 CO 0.15 0.15 -0.41 0.00 0.02 0.00 0.00 177.57 177.48 3f90 h ALA 138 N 0.78 -0.84 -0.84 1.67 0.00 -0.92 -1.32 119.26 117.79 3f90 h ALA 138 Ca 0.01 -0.12 0.18 0.00 0.00 0.00 0.00 54.91 54.98 3f90 h ALA 138 Cb 0.24 0.62 -0.11 0.00 0.00 0.00 0.00 17.79 18.55 3f90 h ALA 138 CO 0.00 -1.02 0.36 1.03 0.00 0.00 0.00 179.25 179.62 3f90 h SER 139 N -0.77 0.34 -0.50 0.00 0.87 -1.02 0.24 113.55 112.73 3f90 h SER 139 Ca -0.02 0.13 -0.07 0.00 -1.23 0.00 0.00 61.79 60.60 3f90 h SER 139 Cb 0.72 0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.75 3f90 h SER 139 CO -0.12 0.08 0.04 0.15 -0.53 0.00 0.00 176.83 176.44 3f90 h PHE 140 N 0.46 0.92 -0.28 2.24 3.57 -1.20 -0.91 116.94 121.74 3f90 h PHE 140 Ca 0.49 -0.15 -0.06 0.00 3.53 0.00 0.00 57.97 61.78 3f90 h PHE 140 Cb 0.82 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.30 3f90 h PHE 140 CO -0.14 0.85 -0.10 0.00 -2.23 0.00 0.00 178.31 176.69 3f90 h ALA 141 N 0.95 1.32 -0.03 2.41 0.00 -0.24 -1.07 119.26 122.60 3f90 h ALA 141 Ca 0.14 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 3f90 h ALA 141 Cb 0.46 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 3f90 h ALA 141 CO 0.02 0.46 0.02 1.49 0.00 0.00 0.00 179.25 181.23 3f90 h GLU 142 N 0.43 0.04 -0.37 0.00 4.81 0.14 -0.95 114.58 118.68 3f90 h GLU 142 Ca 0.08 -0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.17 3f90 h GLU 142 Cb 0.43 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 3f90 h GLU 142 CO 0.02 0.07 -0.32 -0.44 -0.73 0.00 0.00 179.01 177.62 3f90 h ASP 143 N 0.00 0.91 -0.81 1.04 3.32 -0.93 -2.50 116.42 117.46 3f90 h ASP 143 Ca 0.01 -0.45 0.02 0.00 0.02 0.00 0.00 57.03 56.63 3f90 h ASP 143 Cb 0.04 -0.26 -0.05 0.00 0.22 0.00 0.00 39.33 39.29 3f90 h ASP 143 CO -0.00 1.18 0.52 0.58 -1.72 0.00 0.00 179.24 179.80 3f90 h VAL 144 N 0.66 1.15 -0.36 -1.35 2.07 -1.14 -2.79 116.25 114.50 3f90 h VAL 144 Ca 0.06 -0.35 -0.09 0.00 0.82 0.00 0.00 66.70 67.14 3f90 h VAL 144 Cb 0.90 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 3f90 h VAL 144 CO 0.08 0.19 -0.15 -0.07 0.02 0.00 0.00 177.57 177.64 3f90 h LEU 145 N 1.03 0.63 -1.21 2.57 3.38 -1.00 -2.04 115.31 118.68 3f90 h LEU 145 Ca 0.31 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3f90 h LEU 145 Cb -0.03 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.55 3f90 h LEU 145 CO -0.10 0.80 0.00 0.29 0.09 0.00 0.00 178.44 179.52 3f90 n LYS 146 N -4.16 0.16 0.00 1.13 4.76 -0.96 -2.04 118.16 117.05 3f90 n LYS 146 Ca 0.01 0.57 0.07 0.00 -2.87 0.00 0.00 58.31 56.09 3f90 n LYS 146 Cb 0.37 -1.94 -0.06 0.00 -1.84 0.00 0.00 35.03 31.55 3f90 n LYS 146 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 3f90 n GLN 147 N -2.27 2.07 0.00 1.97 1.13 -0.78 -5.12 117.38 114.38 3f90 n GLN 147 Ca -0.00 -0.19 0.15 0.00 -1.94 0.00 0.00 57.00 55.01 3f90 n GLN 147 Cb 0.10 -1.20 0.64 0.00 0.11 0.00 0.00 30.24 29.88 3f90 n GLN 147 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90