#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 3.33 -0.18 1.43 1.02 -1.26 -1.12 119.74 122.95 3f90 s LYS 3 Ca 0.00 -0.48 -0.05 0.00 0.02 0.00 0.00 55.97 55.46 3f90 s LYS 3 Cb 0.00 -3.90 -0.03 0.00 -0.52 0.00 0.00 37.83 33.38 3f90 s LYS 3 CO 0.00 -0.79 -0.00 0.08 -0.92 0.00 0.00 175.35 173.72 3f90 s VAL 4 N 2.33 4.08 -0.20 3.17 1.01 -0.11 -0.68 120.40 129.99 3f90 s VAL 4 Ca 0.16 -0.28 -0.11 0.00 0.00 0.00 0.00 61.98 61.75 3f90 s VAL 4 Cb -0.16 -2.83 -0.05 0.00 0.00 0.00 0.00 36.38 33.35 3f90 s VAL 4 CO 0.14 0.45 0.17 -0.22 0.00 0.00 0.00 175.10 175.64 3f90 s LEU 5 N 0.69 4.19 -0.29 3.92 2.96 -0.59 -0.11 118.68 129.46 3f90 s LEU 5 Ca -0.00 0.25 0.01 0.00 -0.22 0.00 0.00 54.13 54.17 3f90 s LEU 5 Cb -0.14 -2.14 0.06 0.00 0.50 0.00 0.00 46.19 44.46 3f90 s LEU 5 CO 0.02 0.14 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.52 3f90 s ILE 6 N 0.54 2.60 -0.12 6.68 1.01 -0.72 -0.20 121.20 131.00 3f90 s ILE 6 Ca 0.09 -1.56 -0.04 0.00 0.00 0.00 0.00 60.65 59.14 3f90 s ILE 6 Cb -0.12 -2.54 -0.03 0.00 0.01 0.00 0.00 42.46 39.78 3f90 s ILE 6 CO 0.00 -0.11 0.02 -0.69 0.00 0.00 0.00 174.94 174.16 3f90 s VAL 7 N 1.17 4.49 0.02 2.92 1.01 0.24 -1.30 120.40 128.95 3f90 s VAL 7 Ca -0.06 -0.17 0.01 0.00 0.00 0.00 0.00 61.98 61.76 3f90 s VAL 7 Cb -0.20 -2.94 -0.02 0.00 0.00 0.00 0.00 36.38 33.23 3f90 s VAL 7 CO -0.03 0.56 -0.04 0.72 0.00 0.00 0.00 175.10 176.31 3f90 s PHE 8 N -0.46 0.35 -0.19 5.22 -0.12 -0.92 0.26 117.98 122.12 3f90 s PHE 8 Ca 0.09 -0.36 -0.01 0.00 -0.05 0.00 0.00 56.93 56.60 3f90 s PHE 8 Cb -0.12 -0.23 0.01 0.00 -0.63 0.00 0.00 43.02 42.05 3f90 s PHE 8 CO 0.02 -0.10 -0.13 0.20 -0.05 0.00 0.00 175.22 175.16 3f90 s GLY 9 N -1.04 1.48 -0.06 1.99 0.00 0.33 -0.28 107.32 109.74 3f90 s GLY 9 Ca -0.09 -1.19 -0.04 0.00 0.00 0.00 0.00 44.72 43.40 3f90 s GLY 9 CO -0.00 0.32 0.15 -0.45 0.00 0.00 0.00 173.10 173.12 3f90 s SER 10 N 1.33 -0.14 -0.11 1.64 0.15 -1.26 -3.10 113.70 112.21 3f90 s SER 10 Ca 0.05 0.32 0.10 0.00 0.70 0.00 0.00 55.95 57.11 3f90 s SER 10 Cb -0.14 0.25 -0.14 0.00 -1.71 0.00 0.00 66.02 64.29 3f90 s SER 10 CO -0.08 -0.11 0.04 -1.20 1.20 0.00 0.00 173.24 173.09 3f90 n SER 11 N 3.72 2.22 -0.37 5.45 7.64 -1.26 -4.68 113.62 126.34 3f90 n SER 11 Ca -0.21 -0.00 0.07 0.00 1.01 0.00 0.00 58.87 59.74 3f90 n SER 11 Cb 0.55 0.77 0.12 0.00 -1.01 0.00 0.00 64.21 64.63 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 -2.42 1.43 -1.00 0.44 -2.24 -1.26 -5.00 114.28 104.23 3f90 n THR 12 Ca -0.18 -1.91 0.00 0.00 -2.27 0.00 0.00 64.05 59.69 3f90 n THR 12 Cb 0.87 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.10 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 -0.94 0.85 0.10 3.38 0.00 -1.26 -4.92 105.19 102.40 3f90 n GLY 13 Ca 0.13 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.11 0.10 1.61 2.35 -1.95 -1.71 115.58 115.87 3f90 h ASN 14 Ca 0.00 -0.43 -0.06 0.00 -0.55 0.00 0.00 56.30 55.26 3f90 h ASN 14 Cb 0.00 0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 3f90 h ASN 14 CO 0.00 0.53 -0.19 0.74 -1.65 0.00 0.00 177.43 176.86 3f90 h THR 15 N -0.92 1.20 -0.06 2.81 2.02 -1.87 -1.61 112.91 114.48 3f90 h THR 15 Ca -0.01 -0.89 -0.13 0.00 0.77 0.00 0.00 66.41 66.15 3f90 h THR 15 Cb 0.54 1.32 -0.01 0.00 -1.74 0.00 0.00 68.15 68.25 3f90 h THR 15 CO 0.02 0.27 -0.54 -0.08 0.37 0.00 0.00 175.52 175.56 3f90 h GLU 16 N 0.18 0.19 -0.40 6.66 4.81 -1.87 -2.18 114.58 121.97 3f90 h GLU 16 Ca 0.03 -0.11 -0.03 0.00 -0.13 0.00 0.00 59.36 59.12 3f90 h GLU 16 Cb 0.44 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.82 3f90 h GLU 16 CO 0.03 0.68 0.14 1.03 -0.73 0.00 0.00 179.01 180.16 3f90 h SER 17 N 0.14 0.57 -0.71 1.04 0.87 -0.40 -0.69 113.55 114.37 3f90 h SER 17 Ca 0.00 -0.19 -0.04 0.00 -1.23 0.00 0.00 61.79 60.32 3f90 h SER 17 Cb 1.00 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 62.78 3f90 h SER 17 CO 0.08 0.61 0.28 0.40 -0.53 0.00 0.00 176.83 177.67 3f90 h ILE 18 N 0.50 1.25 -0.22 2.23 2.04 -1.25 -2.35 117.51 119.70 3f90 h ILE 18 Ca 0.13 -0.79 -0.09 0.00 1.00 0.00 0.00 64.86 65.10 3f90 h ILE 18 Cb 0.23 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 3f90 h ILE 18 CO -0.01 0.32 -0.27 0.00 0.00 0.00 0.00 178.15 178.20 3f90 h ALA 19 N 1.25 1.13 -0.45 1.87 0.00 -1.10 0.56 119.26 122.51 3f90 h ALA 19 Ca 0.24 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 3f90 h ALA 19 Cb 0.22 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3f90 h ALA 19 CO -0.02 0.55 0.14 1.96 0.00 0.00 0.00 179.25 181.88 3f90 h GLN 20 N 0.38 0.71 0.00 0.00 4.20 -0.85 -1.48 115.11 118.07 3f90 h GLN 20 Ca 0.06 -0.15 -0.07 0.00 0.06 0.00 0.00 58.65 58.54 3f90 h GLN 20 Cb 0.67 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.34 3f90 h GLN 20 CO 0.05 0.68 -0.34 -0.22 -0.67 0.00 0.00 178.83 178.32 3f90 h LYS 21 N 0.60 0.00 -0.32 1.46 1.63 -1.16 -1.84 116.57 116.93 3f90 h LYS 21 Ca 0.15 0.00 -0.16 0.00 -0.85 0.00 0.00 60.65 59.79 3f90 h LYS 21 Cb 0.26 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.89 3f90 h LYS 21 CO -0.00 0.34 -0.42 -0.07 -3.45 0.00 0.00 179.45 175.85 3f90 h LEU 22 N 0.00 0.92 -0.07 5.20 3.38 -0.69 -2.20 115.31 121.85 3f90 h LEU 22 Ca -0.00 -0.50 0.01 0.00 0.09 0.00 0.00 57.88 57.48 3f90 h LEU 22 Cb 0.91 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 3f90 h LEU 22 CO 0.04 1.24 0.03 -0.08 0.09 0.00 0.00 178.44 179.76 3f90 h GLU 23 N 0.63 0.07 -0.12 1.13 4.81 -1.01 -0.95 114.58 119.14 3f90 h GLU 23 Ca 0.04 -0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.30 3f90 h GLU 23 Cb 1.02 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.35 3f90 h GLU 23 CO 0.10 0.04 -0.09 1.49 -0.73 0.00 0.00 179.01 179.82 3f90 h GLU 24 N 0.07 -0.10 0.28 1.92 4.81 -1.33 0.12 114.58 120.34 3f90 h GLU 24 Ca 0.03 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 3f90 h GLU 24 Cb 0.01 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.42 3f90 h GLU 24 CO -0.03 -0.07 -0.13 -0.07 -0.73 0.00 0.00 179.01 177.98 3f90 h LEU 25 N -0.11 -0.31 -1.31 1.64 3.38 -1.33 -0.25 115.31 117.02 3f90 h LEU 25 Ca 0.08 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 3f90 h LEU 25 Cb 0.22 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 3f90 h LEU 25 CO -0.18 -0.11 0.00 0.40 0.09 0.00 0.00 178.44 178.64 3f90 h ILE 26 N -0.50 1.18 0.00 1.22 2.04 -1.08 -1.45 117.51 118.91 3f90 h ILE 26 Ca -0.04 -0.71 -0.07 0.00 1.00 0.00 0.00 64.86 65.04 3f90 h ILE 26 Cb 0.38 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 3f90 h ILE 26 CO 0.06 0.24 -0.35 0.00 0.00 0.00 0.00 178.15 178.10 3f90 h ALA 27 N 1.56 0.83 0.00 1.87 0.00 -0.68 -1.47 119.26 121.36 3f90 h ALA 27 Ca 0.10 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3f90 h ALA 27 Cb 0.29 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3f90 h ALA 27 CO 0.01 0.44 0.00 0.00 0.00 0.00 0.00 179.25 179.70 3f90 n ALA 28 N -2.21 1.85 -0.20 0.00 0.00 -0.11 -1.79 120.51 118.05 3f90 n ALA 28 Ca 0.02 -0.03 0.07 0.00 0.00 0.00 0.00 53.44 53.50 3f90 n ALA 28 Cb 0.61 -1.34 0.29 0.00 0.00 0.00 0.00 19.45 19.01 3f90 n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3f90 n GLY 29 N 0.41 2.26 2.16 0.00 0.00 -0.56 -4.91 105.19 104.54 3f90 n GLY 29 Ca 0.04 -0.67 -0.05 0.00 0.00 0.00 0.00 46.02 45.34 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 0.83 0.79 3.86 -0.02 0.00 -0.74 -5.02 105.19 104.88 3f90 n GLY 30 Ca 0.20 -0.82 -0.21 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.20 2.87 -0.49 1.61 4.02 -1.18 -4.70 115.29 115.21 3f90 s HIS 31 Ca 0.00 -0.33 -0.11 0.00 1.02 0.00 0.00 55.06 55.63 3f90 s HIS 31 Cb 0.00 -1.86 0.12 0.00 -1.02 0.00 0.00 32.58 29.82 3f90 s HIS 31 CO 0.00 0.13 0.39 -1.21 1.02 0.00 0.00 174.74 175.07 3f90 s GLU 32 N -4.02 2.65 0.05 1.40 2.02 -0.28 -4.43 118.70 116.10 3f90 s GLU 32 Ca 0.42 -1.73 -0.03 0.00 0.02 0.00 0.00 54.97 53.66 3f90 s GLU 32 Cb -0.05 -4.04 -0.04 0.00 0.10 0.00 0.00 34.13 30.09 3f90 s GLU 32 CO 0.27 -1.22 0.24 0.14 0.02 0.00 0.00 175.26 174.71 3f90 s VAL 33 N 1.45 5.35 -0.26 2.63 -7.23 -1.26 -0.94 120.40 120.13 3f90 s VAL 33 Ca 0.05 -0.17 0.00 0.00 -1.81 0.00 0.00 61.98 60.05 3f90 s VAL 33 Cb -0.27 -3.60 0.08 0.00 0.56 0.00 0.00 36.38 33.15 3f90 s VAL 33 CO 0.01 0.20 0.01 -0.89 -0.31 0.00 0.00 175.10 174.12 3f90 s THR 34 N -1.46 1.31 0.23 5.32 2.01 0.85 -4.93 115.64 118.98 3f90 s THR 34 Ca 0.33 -1.33 -0.29 0.00 0.31 0.00 0.00 61.69 60.70 3f90 s THR 34 Cb -0.13 -1.78 -0.09 0.00 0.01 0.00 0.00 72.50 70.52 3f90 s THR 34 CO 0.23 -0.34 0.92 -0.22 -0.69 0.00 0.00 174.62 174.52 3f90 s LEU 35 N 1.45 4.64 -0.23 4.42 2.96 -1.26 -1.75 118.68 128.92 3f90 s LEU 35 Ca 0.01 1.92 -0.07 0.00 -0.22 0.00 0.00 54.13 55.77 3f90 s LEU 35 Cb -0.18 -3.58 0.10 0.00 0.50 0.00 0.00 46.19 43.04 3f90 s LEU 35 CO -0.12 0.17 0.48 -0.22 -1.32 0.00 0.00 176.35 175.34 3f90 s LEU 36 N -1.18 -0.79 0.04 -0.68 0.20 -0.42 -4.95 118.68 110.91 3f90 s LEU 36 Ca 0.40 1.11 -0.30 0.00 0.69 0.00 0.00 54.13 56.03 3f90 s LEU 36 Cb -0.26 1.60 -0.05 0.00 -0.43 0.00 0.00 46.19 47.05 3f90 s LEU 36 CO 0.31 -0.23 1.21 0.21 -0.29 0.00 0.00 176.35 177.56 3f90 s ASN 37 N 2.69 7.07 0.27 3.68 3.84 -1.26 -2.17 114.94 129.06 3f90 s ASN 37 Ca -0.02 2.00 -0.01 0.00 0.21 0.00 0.00 52.86 55.03 3f90 s ASN 37 Cb -0.12 -2.58 0.60 0.00 -0.55 0.00 0.00 41.25 38.61 3f90 s ASN 37 CO -0.15 -0.49 1.64 0.00 -2.79 0.00 0.00 177.10 175.31 3f90 h ALA 38 N 6.93 1.08 0.00 1.71 0.00 -0.98 0.24 119.26 128.24 3f90 h ALA 38 Ca -0.41 0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3f90 h ALA 38 Cb 1.21 0.36 0.00 0.00 0.00 0.00 0.00 17.79 19.36 3f90 h ALA 38 CO 0.82 -0.45 0.13 0.00 0.00 0.00 0.00 179.25 179.75 3f90 h ALA 39 N 1.76 1.11 0.00 0.00 0.00 -1.81 0.82 119.26 121.13 3f90 h ALA 39 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.41 3f90 h ALA 39 Cb 0.96 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.75 3f90 h ALA 39 CO -0.66 -0.11 -1.51 -0.25 0.00 0.00 0.00 179.25 176.72 3f90 n ASP 40 N -2.58 0.48 -4.78 0.00 8.00 0.82 -5.01 116.55 113.48 3f90 n ASP 40 Ca -0.02 -0.46 -0.35 0.00 0.71 0.00 0.00 54.79 54.66 3f90 n ASP 40 Cb 0.17 1.50 -0.01 0.00 -0.02 0.00 0.00 41.12 42.76 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 -3.27 2.84 -0.22 2.24 0.00 0.28 -5.04 121.76 118.59 3f90 s ALA 41 Ca -0.00 0.79 -0.01 0.00 0.00 0.00 0.00 51.96 52.73 3f90 s ALA 41 Cb 0.15 -3.33 0.02 0.00 0.00 0.00 0.00 23.12 19.95 3f90 s ALA 41 CO 0.89 -0.58 -0.10 -1.12 0.00 0.00 0.00 175.76 174.85 3f90 s SER 42 N -1.70 3.96 0.27 0.00 0.01 -1.26 -5.03 113.70 109.95 3f90 s SER 42 Ca 0.68 -0.69 -0.00 0.00 1.31 0.00 0.00 55.95 57.25 3f90 s SER 42 Cb -0.23 -1.63 0.51 0.00 0.21 0.00 0.00 66.02 64.89 3f90 s SER 42 CO 0.27 -0.06 1.82 0.00 0.41 0.00 0.00 173.24 175.68 3f90 h ALA 43 N 8.01 1.41 -1.65 1.44 0.00 -1.93 -3.38 119.26 123.17 3f90 h ALA 43 Ca -0.39 0.03 -0.68 0.00 0.00 0.00 0.00 54.91 53.87 3f90 h ALA 43 Cb 1.13 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.76 3f90 h ALA 43 CO 0.60 0.16 1.05 -1.91 0.00 0.00 0.00 179.25 179.16 3f90 n GLU 44 N -4.67 1.52 -4.25 0.00 4.07 -1.26 -2.13 120.64 113.91 3f90 n GLU 44 Ca 0.18 0.54 -0.36 0.00 -0.06 0.00 0.00 57.16 57.46 3f90 n GLU 44 Cb 0.35 -2.36 -0.04 0.00 -0.06 0.00 0.00 31.44 29.33 3f90 n GLU 44 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 3f90 n ASN 45 N 6.53 -2.49 0.02 4.31 3.02 -0.04 -4.83 115.26 121.77 3f90 n ASN 45 Ca 0.27 -1.07 -0.06 0.00 -0.03 0.00 0.00 54.58 53.70 3f90 n ASN 45 Cb 0.20 -2.53 0.13 0.00 -0.61 0.00 0.00 39.78 36.97 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 -1.45 0.50 0.00 3.41 5.85 -1.31 -3.19 115.31 119.13 3f90 h LEU 46 Ca -0.60 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 57.89 3f90 h LEU 46 Cb 1.38 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.27 3f90 h LEU 46 CO 0.78 0.87 -0.39 0.00 -0.34 0.00 0.00 178.44 179.35 3f90 n ALA 47 N -2.50 3.12 -1.68 1.25 0.00 -1.02 -4.89 120.51 114.80 3f90 n ALA 47 Ca -0.02 -0.26 -0.46 0.00 0.00 0.00 0.00 53.44 52.70 3f90 n ALA 47 Cb 0.52 -1.22 -0.04 0.00 0.00 0.00 0.00 19.45 18.70 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 -1.64 3.38 0.00 0.00 9.92 -1.21 -1.29 116.55 125.70 3f90 n ASP 48 Ca 0.05 1.02 0.00 0.00 -0.53 0.00 0.00 54.79 55.34 3f90 n ASP 48 Cb 0.36 -1.42 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 3.92 0.67 3.61 0.44 0.00 -1.26 -5.06 105.19 107.51 3f90 n GLY 49 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.27 3.16 -0.14 1.61 1.51 -0.42 -4.79 117.35 116.02 3f90 s TYR 50 Ca 0.00 -0.01 0.24 0.00 -1.01 0.00 0.00 57.07 56.29 3f90 s TYR 50 Cb 0.00 -1.96 0.65 0.00 -0.11 0.00 0.00 41.96 40.54 3f90 s TYR 50 CO 0.00 0.19 1.71 -0.44 -1.11 0.00 0.00 175.55 175.90 3f90 h ASP 51 N 6.26 0.00 -4.84 2.29 3.32 -1.20 -3.46 116.42 118.79 3f90 h ASP 51 Ca -0.39 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.57 3f90 h ASP 51 Cb 1.18 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.53 3f90 h ASP 51 CO 0.64 0.14 -0.10 0.00 -1.72 0.00 0.00 179.24 178.19 3f90 s ALA 52 N -3.36 -1.17 -0.09 3.45 0.00 -1.22 -3.50 121.76 115.87 3f90 s ALA 52 Ca 0.04 0.81 0.01 0.00 0.00 0.00 0.00 51.96 52.81 3f90 s ALA 52 Cb 0.07 -0.08 0.02 0.00 0.00 0.00 0.00 23.12 23.14 3f90 s ALA 52 CO 0.65 -0.29 -0.09 0.08 0.00 0.00 0.00 175.76 176.10 3f90 s VAL 53 N -1.05 1.07 -0.23 0.00 1.01 -0.42 -1.55 120.40 119.24 3f90 s VAL 53 Ca -0.11 -0.37 -0.06 0.00 0.00 0.00 0.00 61.98 61.44 3f90 s VAL 53 Cb -0.03 -1.04 -0.02 0.00 0.00 0.00 0.00 36.38 35.28 3f90 s VAL 53 CO 0.06 0.36 0.03 -0.76 0.00 0.00 0.00 175.10 174.79 3f90 s LEU 54 N 1.28 3.32 -0.20 3.92 1.43 0.72 -2.36 118.68 126.80 3f90 s LEU 54 Ca -0.03 -0.22 -0.10 0.00 -1.03 0.00 0.00 54.13 52.76 3f90 s LEU 54 Cb -0.14 -1.87 -0.05 0.00 0.03 0.00 0.00 46.19 44.17 3f90 s LEU 54 CO -0.04 0.01 0.12 -0.36 0.23 0.00 0.00 176.35 176.31 3f90 s PHE 55 N 1.34 3.37 -0.11 0.29 0.40 -0.48 -0.59 117.98 122.20 3f90 s PHE 55 Ca 0.05 0.27 0.03 0.00 -0.60 0.00 0.00 56.93 56.68 3f90 s PHE 55 Cb -0.15 -2.16 -0.00 0.00 0.51 0.00 0.00 43.02 41.22 3f90 s PHE 55 CO 0.02 0.24 -0.22 0.20 0.70 0.00 0.00 175.22 176.15 3f90 s GLY 56 N 0.45 1.36 -0.27 4.36 0.00 0.14 -0.44 107.32 112.92 3f90 s GLY 56 Ca 0.07 -0.97 -0.06 0.00 0.00 0.00 0.00 44.72 43.76 3f90 s GLY 56 CO -0.01 -0.30 0.55 0.00 0.00 0.00 0.00 173.10 173.35 3f90 s SER 58 N 2.78 5.60 0.12 0.00 1.04 -1.18 -4.55 113.70 117.50 3f90 s SER 58 Ca 0.04 1.31 0.08 0.00 0.48 0.00 0.00 55.95 57.86 3f90 s SER 58 Cb -0.13 -2.19 -0.04 0.00 0.10 0.00 0.00 66.02 63.76 3f90 s SER 58 CO -0.18 -1.26 -0.14 0.00 0.98 0.00 0.00 173.24 172.64 3f90 s ALA 59 N -3.24 2.83 -0.02 5.32 0.00 -1.26 -0.77 121.76 124.63 3f90 s ALA 59 Ca 0.57 -1.31 0.06 0.00 0.00 0.00 0.00 51.96 51.28 3f90 s ALA 59 Cb -0.12 -0.77 0.10 0.00 0.00 0.00 0.00 23.12 22.32 3f90 s ALA 59 CO 0.53 0.61 1.04 0.91 0.00 0.00 0.00 175.76 178.85 3f90 n TRP 60 N 0.69 0.00 -3.56 0.00 7.02 0.22 -4.90 117.44 116.91 3f90 n TRP 60 Ca -0.14 -0.19 -0.32 0.00 -1.02 0.00 0.00 57.50 55.83 3f90 n TRP 60 Cb 0.53 -0.08 -0.05 0.00 -2.42 0.00 0.00 31.31 29.29 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 -1.36 2.26 -0.04 6.99 0.00 -1.25 -4.90 107.32 109.02 3f90 s GLY 61 Ca 0.09 -0.43 -0.01 0.00 0.00 0.00 0.00 44.72 44.36 3f90 s GLY 61 CO -0.02 -0.32 -0.03 1.98 0.00 0.00 0.00 173.10 174.71 3f90 h MET 62 N 2.73 0.00 0.06 2.90 4.05 -1.97 -3.44 114.93 119.26 3f90 h MET 62 Ca -0.46 0.00 -0.27 0.00 -0.28 0.00 0.00 59.70 58.69 3f90 h MET 62 Cb 1.17 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.94 3f90 h MET 62 CO 0.71 0.00 -1.45 0.93 0.23 0.00 0.00 176.91 177.33 3f90 h GLU 63 N -0.36 0.12 -6.09 0.39 5.08 -2.02 -3.41 114.58 108.29 3f90 h GLU 63 Ca 0.00 -0.20 -0.52 0.00 -1.00 0.00 0.00 59.36 57.64 3f90 h GLU 63 Cb 0.07 0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.35 3f90 h GLU 63 CO 0.00 1.10 -0.43 -0.51 -1.00 0.00 0.00 179.01 178.17 3f90 s ASP 64 N -6.92 4.85 0.07 1.42 1.11 -1.26 -4.93 116.67 111.01 3f90 s ASP 64 Ca -0.25 -0.83 -0.31 0.00 0.18 0.00 0.00 52.55 51.34 3f90 s ASP 64 Cb 0.06 -0.59 -0.06 0.00 1.07 0.00 0.00 42.92 43.40 3f90 s ASP 64 CO 0.68 -0.57 1.28 -0.22 1.18 0.00 0.00 175.17 177.51 3f90 s LEU 65 N -4.03 4.36 -0.32 1.23 1.98 -1.26 -4.13 118.68 116.51 3f90 s LEU 65 Ca 0.45 2.12 -0.01 0.00 -2.89 0.00 0.00 54.13 53.80 3f90 s LEU 65 Cb -0.01 -3.58 0.13 0.00 0.66 0.00 0.00 46.19 43.39 3f90 s LEU 65 CO 0.26 -0.55 0.23 -0.70 -1.89 0.00 0.00 176.35 173.69 3f90 s GLU 66 N 1.18 0.38 0.71 1.98 2.12 -1.26 -4.90 118.70 118.91 3f90 s GLU 66 Ca 0.61 -0.70 -0.16 0.00 0.36 0.00 0.00 54.97 55.08 3f90 s GLU 66 Cb -0.32 -1.01 -0.02 0.00 0.26 0.00 0.00 34.13 33.04 3f90 s GLU 66 CO 0.29 -1.10 0.80 -1.33 -0.54 0.00 0.00 175.26 173.39 3f90 n MET 67 N 4.79 0.46 -1.47 4.30 2.81 -1.26 -0.61 117.12 126.14 3f90 n MET 67 Ca 0.02 0.21 -0.38 0.00 -1.81 0.00 0.00 57.70 55.74 3f90 n MET 67 Cb 0.42 -2.07 0.04 0.00 -0.71 0.00 0.00 33.22 30.90 3f90 n MET 67 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 3f90 n GLN 68 N -1.36 0.54 -0.17 0.03 0.00 0.05 -4.67 117.38 111.80 3f90 n GLN 68 Ca 0.12 0.21 -0.08 0.00 -0.00 0.00 0.00 57.00 57.25 3f90 n GLN 68 Cb 0.49 -1.71 0.01 0.00 0.00 0.00 0.00 30.24 29.03 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 0.29 0.66 -0.32 1.69 1.82 -1.91 -0.37 116.42 118.28 3f90 h ASP 69 Ca -0.45 -0.15 -0.15 0.00 -0.39 0.00 0.00 57.03 55.88 3f90 h ASP 69 Cb 1.40 -0.17 -0.01 0.00 0.68 0.00 0.00 39.33 41.23 3f90 h ASP 69 CO 0.47 0.63 -0.36 0.44 -1.61 0.00 0.00 179.24 178.82 3f90 h ASP 70 N 0.65 0.91 -0.00 2.28 3.32 -1.95 -3.12 116.42 118.51 3f90 h ASP 70 Ca 0.16 -0.40 -0.17 0.00 0.02 0.00 0.00 57.03 56.65 3f90 h ASP 70 Cb 0.16 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.45 3f90 h ASP 70 CO -0.02 1.17 -0.58 0.15 -1.72 0.00 0.00 179.24 178.25 3f90 h PHE 71 N 0.71 0.76 -0.42 4.55 3.57 -1.84 -3.27 116.94 121.00 3f90 h PHE 71 Ca 0.07 -0.28 0.08 0.00 3.53 0.00 0.00 57.97 61.37 3f90 h PHE 71 Cb 0.93 -0.14 -0.08 0.00 2.79 0.00 0.00 35.95 39.45 3f90 h PHE 71 CO 0.05 1.03 -0.07 1.25 -2.23 0.00 0.00 178.31 178.35 3f90 h LEU 72 N 0.45 -0.32 -2.01 0.59 5.85 -1.00 0.16 115.31 119.03 3f90 h LEU 72 Ca 0.00 0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.85 3f90 h LEU 72 Cb 1.14 0.23 -0.00 0.00 0.37 0.00 0.00 40.66 42.40 3f90 h LEU 72 CO 0.11 -0.11 0.03 0.28 -0.34 0.00 0.00 178.44 178.41 3f90 h SER 73 N 0.04 0.00 0.97 1.25 0.02 -1.60 -1.35 113.55 112.88 3f90 h SER 73 Ca 0.21 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.96 3f90 h SER 73 Cb 0.31 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.82 3f90 h SER 73 CO -0.41 0.00 -1.08 0.25 -1.14 0.00 0.00 176.83 174.45 3f90 h LEU 74 N 0.00 0.00 -0.80 5.07 5.85 -1.18 -3.29 115.31 120.97 3f90 h LEU 74 Ca 0.02 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.63 3f90 h LEU 74 Cb 0.08 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 3f90 h LEU 74 CO -0.00 0.85 -0.54 0.15 -0.34 0.00 0.00 178.44 178.56 3f90 h PHE 75 N 0.00 0.00 0.00 1.25 3.57 0.30 -2.64 116.94 119.41 3f90 h PHE 75 Ca -0.08 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.42 3f90 h PHE 75 Cb 1.72 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 40.46 3f90 h PHE 75 CO 0.00 0.54 -0.02 0.93 -2.23 0.00 0.00 178.31 177.53 3f90 h GLU 76 N 0.00 0.00 -0.39 1.11 5.08 -1.41 -2.88 114.58 116.09 3f90 h GLU 76 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3f90 h GLU 76 Cb 1.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.29 3f90 h GLU 76 CO 0.07 0.02 0.00 0.39 -1.00 0.00 0.00 179.01 178.48 3f90 n GLU 77 N -3.11 3.10 -0.13 2.33 1.02 -1.02 -4.60 120.64 118.24 3f90 n GLU 77 Ca 0.01 -2.53 0.28 0.00 -0.02 0.00 0.00 57.16 54.89 3f90 n GLU 77 Cb 0.34 -1.62 0.66 0.00 -0.02 0.00 0.00 31.44 30.80 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 2.44 0.00 0.00 -0.32 -1.00 -1.27 0.58 116.94 117.38 3f90 h PHE 78 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 3f90 h PHE 78 Cb 1.16 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.72 3f90 h PHE 78 CO 0.45 0.00 0.00 -0.40 -1.61 0.00 0.00 178.31 176.75 3f90 n ASP 79 N -3.69 0.59 -0.10 2.17 5.75 -1.26 -3.02 116.55 116.98 3f90 n ASP 79 Ca 0.18 0.68 0.06 0.00 -0.01 0.00 0.00 54.79 55.70 3f90 n ASP 79 Cb 1.09 -0.79 -0.05 0.00 -1.03 0.00 0.00 41.12 40.34 3f90 n ASP 79 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3f90 n ARG 80 N -2.19 2.57 0.08 0.11 1.74 0.20 -4.51 116.66 114.67 3f90 n ARG 80 Ca 0.01 -0.25 -0.05 0.00 -0.77 0.00 0.00 57.85 56.79 3f90 n ARG 80 Cb 0.16 -1.11 0.10 0.00 -1.02 0.00 0.00 32.46 30.60 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 0.51 1.40 -1.33 0.55 2.04 -1.47 -0.08 117.51 119.11 3f90 h ILE 81 Ca 0.00 -2.06 0.00 0.00 1.00 0.00 0.00 64.86 63.80 3f90 h ILE 81 Cb 0.34 2.06 0.00 0.00 -0.74 0.00 0.00 36.82 38.48 3f90 h ILE 81 CO 0.00 0.61 0.00 0.61 0.00 0.00 0.00 178.15 179.37 3f90 n GLY 82 N 0.34 0.46 0.00 5.37 0.00 -1.26 -2.42 105.19 107.68 3f90 n GLY 82 Ca -0.02 -0.32 0.15 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.67 0.00 -4.61 0.99 4.77 -1.26 -4.75 117.00 111.47 3f90 n LEU 83 Ca 0.00 0.19 -0.43 0.00 -0.03 0.00 0.00 56.01 55.74 3f90 n LEU 83 Cb 0.33 -0.19 -0.03 0.00 -2.33 0.00 0.00 43.42 41.20 3f90 n LEU 83 CO 0.00 -0.01 1.76 0.00 -1.33 0.00 0.00 177.39 177.81 3f90 s ALA 84 N -2.38 2.91 0.00 -1.18 0.00 -1.21 -1.38 121.76 118.52 3f90 s ALA 84 Ca 0.34 0.82 0.00 0.00 0.00 0.00 0.00 51.96 53.12 3f90 s ALA 84 Cb 0.20 -4.02 0.00 0.00 0.00 0.00 0.00 23.12 19.30 3f90 s ALA 84 CO 0.41 -2.54 0.00 0.41 0.00 0.00 0.00 175.76 174.05 3f90 n GLY 85 N 5.47 1.54 3.79 0.00 0.00 -0.90 -4.90 105.19 110.20 3f90 n GLY 85 Ca 0.27 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.61 4.36 0.28 1.61 0.52 -0.48 -4.69 118.95 119.95 3f90 s ARG 86 Ca 0.00 0.91 -0.29 0.00 -0.52 0.00 0.00 55.73 55.83 3f90 s ARG 86 Cb 0.00 -3.26 -0.10 0.00 0.52 0.00 0.00 34.95 32.11 3f90 s ARG 86 CO 0.00 0.57 1.26 0.15 0.02 0.00 0.00 175.30 177.31 3f90 s LYS 87 N -0.99 4.43 0.01 3.54 1.02 -1.23 -0.95 119.74 125.57 3f90 s LYS 87 Ca 0.32 2.08 -0.05 0.00 0.02 0.00 0.00 55.97 58.35 3f90 s LYS 87 Cb -0.21 -3.13 -0.01 0.00 -0.52 0.00 0.00 37.83 33.97 3f90 s LYS 87 CO 0.22 -0.12 0.07 0.08 -0.92 0.00 0.00 175.35 174.69 3f90 s VAL 88 N -0.80 0.10 0.10 3.17 1.01 -0.14 -1.29 120.40 122.53 3f90 s VAL 88 Ca 0.50 -0.80 -0.19 0.00 0.00 0.00 0.00 61.98 61.49 3f90 s VAL 88 Cb -0.37 -0.40 0.04 0.00 0.00 0.00 0.00 36.38 35.65 3f90 s VAL 88 CO 0.46 -0.44 0.46 0.00 0.00 0.00 0.00 175.10 175.59 3f90 s ALA 89 N -1.50 -1.14 0.07 5.51 0.00 -0.99 -1.98 121.76 121.73 3f90 s ALA 89 Ca -0.15 0.23 0.04 0.00 0.00 0.00 0.00 51.96 52.09 3f90 s ALA 89 Cb -0.08 0.61 -0.03 0.00 0.00 0.00 0.00 23.12 23.62 3f90 s ALA 89 CO 0.00 -0.61 -0.12 0.00 0.00 0.00 0.00 175.76 175.04 3f90 s ALA 90 N -3.30 1.04 0.19 0.00 0.00 -1.26 -1.39 121.76 117.04 3f90 s ALA 90 Ca -0.00 -1.00 -0.06 0.00 0.00 0.00 0.00 51.96 50.90 3f90 s ALA 90 Cb 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 23.12 23.06 3f90 s ALA 90 CO -0.09 0.08 0.23 -0.59 0.00 0.00 0.00 175.76 175.40 3f90 s PHE 91 N -1.56 0.71 -0.19 0.00 -0.71 0.42 -0.92 117.98 115.72 3f90 s PHE 91 Ca -0.02 -1.03 -0.32 0.00 -1.04 0.00 0.00 56.93 54.53 3f90 s PHE 91 Cb -0.08 -0.24 0.15 0.00 -1.21 0.00 0.00 43.02 41.64 3f90 s PHE 91 CO 0.01 -0.71 1.17 0.00 -1.34 0.00 0.00 175.22 174.35 3f90 s ALA 92 N -4.05 -2.03 -0.02 1.99 0.00 -0.88 -2.04 121.76 114.73 3f90 s ALA 92 Ca 0.26 1.63 -0.02 0.00 0.00 0.00 0.00 51.96 53.83 3f90 s ALA 92 Cb 0.04 -0.61 -0.04 0.00 0.00 0.00 0.00 23.12 22.52 3f90 s ALA 92 CO 0.06 -0.43 0.11 0.45 0.00 0.00 0.00 175.76 175.95 3f90 s SER 93 N -1.61 5.94 0.07 0.00 0.15 -1.26 -2.91 113.70 114.08 3f90 s SER 93 Ca 0.06 0.24 -0.01 0.00 0.70 0.00 0.00 55.95 56.94 3f90 s SER 93 Cb -0.01 -1.78 0.01 0.00 -1.71 0.00 0.00 66.02 62.52 3f90 s SER 93 CO -0.04 0.29 0.11 0.61 1.20 0.00 0.00 173.24 175.41 3f90 n GLY 94 N 1.26 2.50 2.80 9.45 0.00 -0.10 -4.35 105.19 116.74 3f90 n GLY 94 Ca -0.13 -1.28 -0.25 0.00 0.00 0.00 0.00 46.02 44.36 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 -1.40 1.95 0.64 1.61 -1.08 -1.26 -4.20 116.67 112.94 3f90 s ASP 95 Ca 0.04 -0.26 0.42 0.00 -0.52 0.00 0.00 52.55 52.24 3f90 s ASP 95 Cb -0.00 -0.57 2.20 0.00 -1.46 0.00 0.00 42.92 43.09 3f90 s ASP 95 CO 0.03 -0.19 2.29 1.56 0.52 0.00 0.00 175.17 179.38 3f90 h GLN 96 N 8.27 0.00 0.00 4.34 4.20 -1.98 -1.22 115.11 128.72 3f90 h GLN 96 Ca -0.22 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.49 3f90 h GLN 96 Cb 1.12 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.90 3f90 h GLN 96 CO 0.31 0.00 0.00 0.39 -0.67 0.00 0.00 178.83 178.86 3f90 n GLU 97 N -3.09 0.78 -4.18 1.46 1.02 -1.26 -4.72 120.64 110.65 3f90 n GLU 97 Ca -0.02 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 56.89 3f90 n GLU 97 Cb 0.12 -1.24 -0.07 0.00 -0.02 0.00 0.00 31.44 30.24 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 -2.00 2.74 -0.15 -0.32 1.51 -0.46 -5.05 117.35 113.61 3f90 s TYR 98 Ca 0.18 -0.29 0.23 0.00 -1.01 0.00 0.00 57.07 56.17 3f90 s TYR 98 Cb 0.08 -1.43 0.54 0.00 -0.11 0.00 0.00 41.96 41.04 3f90 s TYR 98 CO 0.14 0.47 1.67 1.49 -1.11 0.00 0.00 175.55 178.21 3f90 h GLU 99 N 1.68 0.00 -2.20 -0.62 4.81 -1.85 -3.35 114.58 113.05 3f90 h GLU 99 Ca -0.44 0.00 -0.59 0.00 -0.13 0.00 0.00 59.36 58.19 3f90 h GLU 99 Cb 1.25 0.00 -0.42 0.00 0.63 0.00 0.00 28.75 30.21 3f90 h GLU 99 CO 0.62 0.19 -0.65 0.72 -0.73 0.00 0.00 179.01 179.16 3f90 n HIS 100 N -3.20 3.49 -1.53 0.92 8.25 -1.26 -5.07 115.22 116.82 3f90 n HIS 100 Ca 0.02 -4.07 -0.45 0.00 -0.26 0.00 0.00 57.72 52.96 3f90 n HIS 100 Cb 0.53 -0.53 -0.05 0.00 1.12 0.00 0.00 29.99 31.07 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 0.54 1.74 -4.03 4.41 7.35 -1.26 -1.51 117.46 124.69 3f90 n PHE 101 Ca 0.30 0.06 -0.33 0.00 -0.76 0.00 0.00 57.45 56.72 3f90 n PHE 101 Cb 0.42 -2.64 0.01 0.00 0.35 0.00 0.00 39.48 37.61 3f90 n PHE 101 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3f90 h GLY 103 N -1.87 0.00 2.00 0.00 0.00 -1.61 -2.00 103.07 99.58 3f90 h GLY 103 Ca -0.58 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.73 3f90 h GLY 103 CO 0.71 0.00 -0.09 0.00 0.00 0.00 0.00 176.54 177.16 3f90 h ALA 104 N 2.04 1.60 0.62 3.60 0.00 -1.85 -3.08 119.26 122.19 3f90 h ALA 104 Ca 0.00 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 3f90 h ALA 104 Cb 0.26 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.04 3f90 h ALA 104 CO 0.00 0.11 -0.30 0.28 0.00 0.00 0.00 179.25 179.34 3f90 h VAL 105 N 0.00 0.38 -0.44 0.00 2.07 -1.63 0.19 116.25 116.81 3f90 h VAL 105 Ca -0.00 -0.08 -0.03 0.00 0.82 0.00 0.00 66.70 67.42 3f90 h VAL 105 Cb 0.19 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 3f90 h VAL 105 CO 0.01 0.01 0.16 1.55 0.02 0.00 0.00 177.57 179.32 3f90 h PRO 106 N -0.88 0.64 -0.71 1.57 0.13 -1.76 -1.25 132.00 129.74 3f90 h PRO 106 Ca -0.08 -0.09 -0.00 0.00 -0.87 0.00 0.00 66.00 64.95 3f90 h PRO 106 Cb 0.66 -0.12 -0.03 0.00 0.13 0.00 0.00 31.00 31.64 3f90 h PRO 106 CO 0.14 0.55 0.42 0.00 -0.23 0.00 0.00 178.00 178.88 3f90 h ALA 107 N 1.54 1.42 -0.10 -0.56 0.00 -1.37 0.73 119.26 120.92 3f90 h ALA 107 Ca 0.15 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 3f90 h ALA 107 Cb 0.16 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 3f90 h ALA 107 CO -0.01 0.50 -0.16 0.82 0.00 0.00 0.00 179.25 180.40 3f90 h ILE 108 N 0.97 1.39 -0.54 0.00 2.04 -0.12 -2.86 117.51 118.39 3f90 h ILE 108 Ca 0.25 -1.41 -0.05 0.00 1.00 0.00 0.00 64.86 64.65 3f90 h ILE 108 Cb -0.04 2.08 -0.02 0.00 -0.74 0.00 0.00 36.82 38.10 3f90 h ILE 108 CO -0.05 0.40 0.15 -0.33 0.00 0.00 0.00 178.15 178.33 3f90 h GLU 109 N -0.16 0.85 0.16 2.37 5.08 -0.90 -1.15 114.58 120.84 3f90 h GLU 109 Ca 0.01 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.16 3f90 h GLU 109 Cb 0.73 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.86 3f90 h GLU 109 CO 0.04 0.79 -0.08 0.93 -1.00 0.00 0.00 179.01 179.69 3f90 h GLU 110 N 0.76 -0.21 -0.74 2.33 3.07 -0.95 0.13 114.58 118.96 3f90 h GLU 110 Ca 0.17 0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 59.04 3f90 h GLU 110 Cb 0.31 0.05 -0.04 0.00 -0.84 0.00 0.00 28.75 28.23 3f90 h GLU 110 CO -0.00 -0.01 0.45 -0.09 -1.40 0.00 0.00 179.01 177.96 3f90 h ARG 111 N -0.38 1.01 -0.71 2.33 9.65 -1.49 -0.94 114.38 123.84 3f90 h ARG 111 Ca -0.02 -0.09 -0.05 0.00 -1.10 0.00 0.00 59.98 58.72 3f90 h ARG 111 Cb 0.30 -0.21 -0.03 0.00 -1.39 0.00 0.00 29.97 28.64 3f90 h ARG 111 CO 0.04 0.71 0.25 0.00 2.80 0.00 0.00 179.97 183.77 3f90 h ALA 112 N 1.24 1.11 -0.63 2.80 0.00 -1.09 -2.43 119.26 120.25 3f90 h ALA 112 Ca 0.27 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 3f90 h ALA 112 Cb -0.04 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 3f90 h ALA 112 CO -0.05 0.62 0.06 0.87 0.00 0.00 0.00 179.25 180.75 3f90 h LYS 113 N 1.04 1.07 0.00 0.00 1.57 -0.30 -0.88 116.57 119.07 3f90 h LYS 113 Ca 0.24 -0.31 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3f90 h LYS 113 Cb 0.24 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.44 3f90 h LYS 113 CO -0.01 1.01 0.00 0.93 -0.57 0.00 0.00 179.45 180.80 3f90 h GLU 114 N 0.99 0.00 -0.34 3.15 5.08 -0.77 -2.53 114.58 120.16 3f90 h GLU 114 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 3f90 h GLU 114 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 3f90 h GLU 114 CO 0.02 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.31 3f90 n LEU 115 N -2.74 3.15 0.00 1.33 4.77 -0.92 -4.96 117.00 117.64 3f90 n LEU 115 Ca -0.00 -1.54 0.00 0.00 -0.03 0.00 0.00 56.01 54.43 3f90 n LEU 115 Cb 0.18 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 3f90 n LEU 115 CO 0.20 0.70 0.00 0.61 -1.33 0.00 0.00 177.39 177.57 3f90 n GLY 116 N 1.18 0.42 3.76 -0.72 0.00 -0.95 -3.36 105.19 105.52 3f90 n GLY 116 Ca 0.16 0.00 -0.36 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 -2.00 2.66 -0.32 4.61 0.00 -0.38 -2.11 121.76 124.22 3f90 s ALA 117 Ca 0.00 0.96 -0.08 0.00 0.00 0.00 0.00 51.96 52.83 3f90 s ALA 117 Cb 0.00 -3.42 0.01 0.00 0.00 0.00 0.00 23.12 19.71 3f90 s ALA 117 CO 0.00 -0.98 0.12 0.99 0.00 0.00 0.00 175.76 175.89 3f90 s THR 118 N -1.63 4.20 0.01 0.00 2.01 -0.12 -4.38 115.64 115.72 3f90 s THR 118 Ca 0.74 -0.73 -0.30 0.00 0.31 0.00 0.00 61.69 61.71 3f90 s THR 118 Cb -0.28 -3.22 -0.05 0.00 0.01 0.00 0.00 72.50 68.95 3f90 s THR 118 CO 0.32 -0.02 1.25 -0.63 -0.69 0.00 0.00 174.62 174.84 3f90 s ILE 119 N 1.52 4.03 -1.25 1.82 -1.09 -1.26 -0.97 121.20 124.00 3f90 s ILE 119 Ca 0.02 1.42 0.12 0.00 -2.23 0.00 0.00 60.65 59.98 3f90 s ILE 119 Cb -0.18 -3.91 0.21 0.00 -1.58 0.00 0.00 42.46 37.00 3f90 s ILE 119 CO 0.04 0.04 1.08 2.30 -1.23 0.00 0.00 174.94 177.17 3f90 n ILE 120 N 4.34 0.49 -3.59 2.92 -5.35 -0.84 -4.90 119.36 112.43 3f90 n ILE 120 Ca 0.11 -0.75 -0.11 0.00 -0.27 0.00 0.00 62.75 61.73 3f90 n ILE 120 Cb 0.46 0.88 -0.06 0.00 -1.74 0.00 0.00 39.64 39.18 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 -1.00 -1.92 -0.05 -1.28 0.00 -1.26 -4.59 121.76 111.66 3f90 s ALA 121 Ca 0.19 1.65 -0.29 0.00 0.00 0.00 0.00 51.96 53.51 3f90 s ALA 121 Cb 0.11 -0.83 -0.07 0.00 0.00 0.00 0.00 23.12 22.33 3f90 s ALA 121 CO 0.16 -0.30 1.99 -2.00 0.00 0.00 0.00 175.76 175.61 3f90 s GLU 122 N -0.71 3.87 0.26 0.00 2.12 -1.26 -4.75 118.70 118.23 3f90 s GLU 122 Ca -0.02 2.38 -0.28 0.00 0.36 0.00 0.00 54.97 57.42 3f90 s GLU 122 Cb -0.02 -4.20 -0.15 0.00 0.26 0.00 0.00 34.13 30.03 3f90 s GLU 122 CO 0.01 -1.26 0.83 0.41 -0.54 0.00 0.00 175.26 174.71 3f90 n GLY 123 N 4.83 -0.80 3.65 -1.50 0.00 -1.26 -4.91 105.19 105.20 3f90 n GLY 123 Ca 0.22 0.32 -0.42 0.00 0.00 0.00 0.00 46.02 46.14 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 1.34 4.10 -0.28 0.99 2.96 -0.09 -4.98 118.68 122.72 3f90 s LEU 124 Ca 0.61 1.18 0.01 0.00 -0.22 0.00 0.00 54.13 55.71 3f90 s LEU 124 Cb -0.78 -3.33 0.08 0.00 0.50 0.00 0.00 46.19 42.67 3f90 s LEU 124 CO 0.59 -0.56 0.01 -0.54 -1.32 0.00 0.00 176.35 174.53 3f90 s LYS 125 N 2.89 1.35 0.00 1.98 1.02 -1.26 -2.06 119.74 123.66 3f90 s LYS 125 Ca 0.39 -1.26 0.00 0.00 0.02 0.00 0.00 55.97 55.11 3f90 s LYS 125 Cb -0.15 -2.61 0.00 0.00 -0.52 0.00 0.00 37.83 34.54 3f90 s LYS 125 CO 0.07 -0.79 0.00 0.00 -0.92 0.00 0.00 175.35 173.71 3f90 n MET 126 N 4.60 0.71 -4.31 1.68 0.00 -1.15 -5.04 117.12 113.61 3f90 n MET 126 Ca -0.05 0.00 -0.17 0.00 0.00 0.00 0.00 57.70 57.49 3f90 n MET 126 Cb 0.43 0.00 -0.10 0.00 0.00 0.00 0.00 33.22 33.55 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 -1.17 1.25 2.54 3.17 2.02 -1.26 -0.92 118.70 124.33 3f90 s GLU 127 Ca 0.00 -1.59 0.00 0.00 0.02 0.00 0.00 54.97 53.40 3f90 s GLU 127 Cb 0.00 -0.74 0.00 0.00 0.10 0.00 0.00 34.13 33.49 3f90 s GLU 127 CO 0.00 0.02 0.00 0.41 0.02 0.00 0.00 175.26 175.71 3f90 n GLY 128 N -0.34 0.10 0.00 -1.39 0.00 -1.26 -4.52 105.19 97.77 3f90 n GLY 128 Ca -0.07 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.85 -0.04 0.04 1.61 3.85 -1.26 -4.73 116.55 113.17 3f90 n ASP 129 Ca 0.00 -0.97 -0.01 0.00 -0.71 0.00 0.00 54.79 53.10 3f90 n ASP 129 Cb 0.00 0.00 0.26 0.00 -1.35 0.00 0.00 41.12 40.03 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 -2.00 1.24 0.00 2.12 0.00 -1.79 -2.55 119.26 116.28 3f90 h ALA 130 Ca 0.00 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.56 3f90 h ALA 130 Cb 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3f90 h ALA 130 CO 0.00 0.50 -0.29 0.66 0.00 0.00 0.00 179.25 180.12 3f90 h SER 131 N 0.38 0.00 0.98 0.00 4.64 -1.92 -2.64 113.55 114.99 3f90 h SER 131 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 3f90 h SER 131 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 3f90 h SER 131 CO 0.04 0.29 0.00 -1.13 -0.87 0.00 0.00 176.83 175.16 3f90 h ASN 132 N 0.00 0.00 -0.60 4.97 -1.24 -1.73 -3.34 115.58 113.63 3f90 h ASN 132 Ca -0.00 0.00 -0.32 0.00 0.71 0.00 0.00 56.30 56.69 3f90 h ASN 132 Cb 0.54 0.00 -0.21 0.00 0.73 0.00 0.00 38.32 39.38 3f90 h ASN 132 CO 0.04 0.00 -0.67 -0.67 -1.29 0.00 0.00 177.43 174.83 3f90 n ASP 133 N -2.93 -2.01 0.31 1.15 -0.08 -1.07 -4.99 116.55 106.92 3f90 n ASP 133 Ca 0.01 -3.12 0.18 0.00 -1.51 0.00 0.00 54.79 50.35 3f90 n ASP 133 Cb 0.29 1.11 0.98 0.00 2.34 0.00 0.00 41.12 45.84 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 4.01 0.00 0.08 -0.67 0.13 -1.61 -2.64 132.00 131.30 3f90 h PRO 134 Ca -0.08 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.78 3f90 h PRO 134 Cb 0.99 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.10 3f90 h PRO 134 CO 0.37 0.03 -1.28 0.93 -0.23 0.00 0.00 178.00 177.82 3f90 h GLU 135 N 0.00 0.17 0.02 0.86 5.08 -1.94 -2.73 114.58 116.03 3f90 h GLU 135 Ca -0.00 -0.28 -0.23 0.00 -1.00 0.00 0.00 59.36 57.84 3f90 h GLU 135 Cb 0.15 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.51 3f90 h GLU 135 CO 0.00 1.08 -0.98 0.00 -1.00 0.00 0.00 179.01 178.11 3f90 h ALA 136 N 0.71 0.33 -0.49 3.43 0.00 -1.89 -2.50 119.26 118.85 3f90 h ALA 136 Ca -0.13 -0.73 -0.03 0.00 0.00 0.00 0.00 54.91 54.02 3f90 h ALA 136 Cb 1.93 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.68 3f90 h ALA 136 CO 0.16 0.83 0.20 0.28 0.00 0.00 0.00 179.25 180.72 3f90 h VAL 137 N 0.22 1.21 -0.47 0.00 2.07 -1.58 -2.55 116.25 115.14 3f90 h VAL 137 Ca -0.09 -0.64 -0.06 0.00 0.82 0.00 0.00 66.70 66.74 3f90 h VAL 137 Cb 1.63 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 32.09 3f90 h VAL 137 CO 0.17 0.24 0.05 0.00 0.02 0.00 0.00 177.57 178.05 3f90 h ALA 138 N 1.05 0.62 -0.39 1.67 0.00 -1.49 -1.62 119.26 119.10 3f90 h ALA 138 Ca 0.16 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 3f90 h ALA 138 Cb 0.18 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3f90 h ALA 138 CO -0.01 0.37 -0.01 1.03 0.00 0.00 0.00 179.25 180.62 3f90 h SER 139 N 0.65 0.60 -0.18 0.00 0.87 -1.43 0.30 113.55 114.36 3f90 h SER 139 Ca 0.14 -0.13 -0.07 0.00 -1.23 0.00 0.00 61.79 60.50 3f90 h SER 139 Cb 0.42 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 62.22 3f90 h SER 139 CO 0.01 0.68 -0.16 0.15 -0.53 0.00 0.00 176.83 176.99 3f90 h PHE 140 N 0.60 0.50 -0.47 2.24 3.57 -1.20 -1.90 116.94 120.28 3f90 h PHE 140 Ca 0.12 -0.15 -0.00 0.00 3.53 0.00 0.00 57.97 61.47 3f90 h PHE 140 Cb 0.40 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.01 3f90 h PHE 140 CO 0.02 0.79 0.29 0.00 -2.23 0.00 0.00 178.31 177.17 3f90 h ALA 141 N 0.64 0.60 -0.47 2.41 0.00 -1.09 -1.11 119.26 120.24 3f90 h ALA 141 Ca 0.03 -0.06 0.09 0.00 0.00 0.00 0.00 54.91 54.98 3f90 h ALA 141 Cb 0.70 -0.19 -0.10 0.00 0.00 0.00 0.00 17.79 18.20 3f90 h ALA 141 CO 0.04 0.08 -0.26 1.49 0.00 0.00 0.00 179.25 180.60 3f90 h GLU 142 N 0.63 -0.15 -0.33 0.00 4.81 -0.31 0.35 114.58 119.58 3f90 h GLU 142 Ca 0.17 0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.35 3f90 h GLU 142 Cb -0.02 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 3f90 h GLU 142 CO -0.03 -0.10 -0.02 -0.44 -0.73 0.00 0.00 179.01 177.69 3f90 h ASP 143 N -0.16 0.59 -0.44 1.04 3.32 -1.03 -2.48 116.42 117.27 3f90 h ASP 143 Ca 0.21 -0.32 0.00 0.00 0.02 0.00 0.00 57.03 56.94 3f90 h ASP 143 Cb 0.50 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.87 3f90 h ASP 143 CO -0.57 0.77 0.29 0.58 -1.72 0.00 0.00 179.24 178.60 3f90 h VAL 144 N 0.39 1.12 -0.93 -1.35 2.07 -0.83 -2.67 116.25 114.04 3f90 h VAL 144 Ca 0.09 -0.21 0.11 0.00 0.82 0.00 0.00 66.70 67.50 3f90 h VAL 144 Cb 0.48 0.47 -0.07 0.00 -1.52 0.00 0.00 31.29 30.65 3f90 h VAL 144 CO 0.02 0.11 0.60 -0.07 0.02 0.00 0.00 177.57 178.25 3f90 h LEU 145 N 0.60 0.83 -1.69 2.57 3.38 -0.17 -0.65 115.31 120.18 3f90 h LEU 145 Ca 0.16 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3f90 h LEU 145 Cb -0.07 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.54 3f90 h LEU 145 CO -0.03 0.47 0.00 0.11 0.09 0.00 0.00 178.44 179.08 3f90 h LYS 146 N 0.91 0.00 -0.39 1.13 1.79 -1.08 -1.63 116.57 117.30 3f90 h LYS 146 Ca 0.44 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.91 3f90 h LYS 146 Cb 0.45 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.10 3f90 h LYS 146 CO -0.20 0.00 0.00 1.04 -1.08 0.00 0.00 179.45 179.21 3f90 n GLN 147 N -2.77 2.52 0.00 3.15 1.13 -0.27 -5.12 117.38 116.03 3f90 n GLN 147 Ca -0.00 -2.10 0.13 0.00 -1.94 0.00 0.00 57.00 53.10 3f90 n GLN 147 Cb 0.18 -1.35 0.40 0.00 0.11 0.00 0.00 30.24 29.58 3f90 n GLN 147 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90