#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 3.41 -0.05 1.43 1.02 -1.26 -1.90 119.74 122.38 3f90 s LYS 3 Ca 0.00 -0.65 0.04 0.00 0.02 0.00 0.00 55.97 55.38 3f90 s LYS 3 Cb 0.00 -3.44 -0.02 0.00 -0.52 0.00 0.00 37.83 33.85 3f90 s LYS 3 CO 0.00 -0.33 -0.16 0.08 -0.92 0.00 0.00 175.35 174.01 3f90 s VAL 4 N 1.59 2.87 -0.26 3.17 1.01 -0.51 -0.28 120.40 127.99 3f90 s VAL 4 Ca 0.05 -0.79 -0.02 0.00 0.00 0.00 0.00 61.98 61.22 3f90 s VAL 4 Cb -0.16 -2.11 0.03 0.00 0.00 0.00 0.00 36.38 34.13 3f90 s VAL 4 CO 0.05 0.58 -0.03 -0.22 0.00 0.00 0.00 175.10 175.47 3f90 s LEU 5 N -0.56 3.38 -0.40 3.92 2.96 -0.17 -0.64 118.68 127.17 3f90 s LEU 5 Ca 0.08 -0.92 -0.14 0.00 -0.22 0.00 0.00 54.13 52.93 3f90 s LEU 5 Cb -0.11 -1.70 0.01 0.00 0.50 0.00 0.00 46.19 44.89 3f90 s LEU 5 CO 0.01 -0.16 0.28 -0.63 -1.32 0.00 0.00 176.35 174.54 3f90 s ILE 6 N 1.33 5.21 -0.15 6.68 1.01 -0.18 0.20 121.20 135.31 3f90 s ILE 6 Ca -0.00 -0.60 -0.03 0.00 0.00 0.00 0.00 60.65 60.02 3f90 s ILE 6 Cb -0.17 -3.86 -0.02 0.00 0.01 0.00 0.00 42.46 38.41 3f90 s ILE 6 CO -0.03 -0.25 -0.06 -0.69 0.00 0.00 0.00 174.94 173.91 3f90 s VAL 7 N 1.68 3.72 0.06 2.92 1.01 0.45 -0.71 120.40 129.52 3f90 s VAL 7 Ca 0.05 -0.42 0.02 0.00 0.00 0.00 0.00 61.98 61.62 3f90 s VAL 7 Cb -0.19 -2.61 -0.03 0.00 0.00 0.00 0.00 36.38 33.55 3f90 s VAL 7 CO 0.10 0.51 -0.07 0.72 0.00 0.00 0.00 175.10 176.36 3f90 s PHE 8 N 0.29 0.70 -0.23 5.22 -0.12 -1.01 0.07 117.98 122.89 3f90 s PHE 8 Ca -0.05 -0.66 -0.00 0.00 -0.05 0.00 0.00 56.93 56.17 3f90 s PHE 8 Cb -0.14 -0.42 0.03 0.00 -0.63 0.00 0.00 43.02 41.85 3f90 s PHE 8 CO 0.03 -0.13 -0.10 0.20 -0.05 0.00 0.00 175.22 175.17 3f90 s GLY 9 N -2.09 1.57 -0.07 1.99 0.00 0.16 -0.02 107.32 108.86 3f90 s GLY 9 Ca -0.03 -1.44 0.02 0.00 0.00 0.00 0.00 44.72 43.27 3f90 s GLY 9 CO -0.02 0.47 -0.12 -0.45 0.00 0.00 0.00 173.10 172.98 3f90 s SER 10 N 1.28 1.85 -0.11 1.64 0.15 -1.26 -3.40 113.70 113.84 3f90 s SER 10 Ca -0.00 -0.31 0.16 0.00 0.70 0.00 0.00 55.95 56.50 3f90 s SER 10 Cb -0.16 -0.85 -0.23 0.00 -1.71 0.00 0.00 66.02 63.07 3f90 s SER 10 CO -0.07 0.03 0.18 -1.20 1.20 0.00 0.00 173.24 173.38 3f90 n SER 11 N 3.87 0.91 0.00 5.45 7.64 -1.26 -4.52 113.62 125.72 3f90 n SER 11 Ca -0.22 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.66 3f90 n SER 11 Cb 0.52 1.24 0.00 0.00 -1.01 0.00 0.00 64.21 64.96 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 -2.43 0.76 -0.19 0.44 -2.24 -1.26 -5.02 114.28 104.34 3f90 n THR 12 Ca -0.18 -0.81 0.00 0.00 -2.27 0.00 0.00 64.05 60.79 3f90 n THR 12 Cb 0.83 0.63 0.00 0.00 -2.10 0.00 0.00 70.33 69.70 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 -0.38 0.94 0.10 3.38 0.00 -1.26 -4.95 105.19 103.02 3f90 n GLY 13 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.12 0.07 1.61 2.35 -1.94 0.11 115.58 117.65 3f90 h ASN 14 Ca 0.00 -0.21 -0.08 0.00 -0.55 0.00 0.00 56.30 55.46 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 0.14 -0.25 0.74 -1.65 0.00 0.00 177.43 176.41 3f90 h THR 15 N -0.39 1.25 -0.80 2.81 2.02 -1.87 -1.57 112.91 114.36 3f90 h THR 15 Ca -0.01 -1.17 -0.05 0.00 0.77 0.00 0.00 66.41 65.95 3f90 h THR 15 Cb 0.32 1.40 -0.04 0.00 -1.74 0.00 0.00 68.15 68.10 3f90 h THR 15 CO 0.02 0.36 0.31 -0.08 0.37 0.00 0.00 175.52 176.51 3f90 h GLU 16 N 0.28 1.20 -0.53 6.66 4.81 -1.83 -1.69 114.58 123.48 3f90 h GLU 16 Ca 0.04 -0.22 -0.11 0.00 -0.13 0.00 0.00 59.36 58.94 3f90 h GLU 16 Cb 0.60 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.77 3f90 h GLU 16 CO 0.04 0.97 -0.09 1.03 -0.73 0.00 0.00 179.01 180.23 3f90 h SER 17 N 1.17 0.98 -0.07 1.04 0.87 -0.32 -0.68 113.55 116.53 3f90 h SER 17 Ca 0.27 -0.31 -0.04 0.00 -1.23 0.00 0.00 61.79 60.47 3f90 h SER 17 Cb 0.23 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.91 3f90 h SER 17 CO -0.02 1.08 -0.07 0.40 -0.53 0.00 0.00 176.83 177.69 3f90 h ILE 18 N 0.88 1.17 -0.08 2.23 2.04 -1.07 -2.50 117.51 120.19 3f90 h ILE 18 Ca 0.14 -0.72 -0.22 0.00 1.00 0.00 0.00 64.86 65.06 3f90 h ILE 18 Cb 0.64 1.10 0.00 0.00 -0.74 0.00 0.00 36.82 37.82 3f90 h ILE 18 CO 0.04 0.23 -0.83 0.00 0.00 0.00 0.00 178.15 177.60 3f90 h ALA 19 N 1.62 0.40 0.15 1.87 0.00 -0.80 -1.68 119.26 120.81 3f90 h ALA 19 Ca 0.07 -0.64 -0.01 0.00 0.00 0.00 0.00 54.91 54.33 3f90 h ALA 19 Cb 0.33 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3f90 h ALA 19 CO 0.02 0.74 -0.07 1.96 0.00 0.00 0.00 179.25 181.89 3f90 h GLN 20 N 0.37 -0.19 -0.39 0.00 4.20 -0.97 -2.04 115.11 116.09 3f90 h GLN 20 Ca -0.06 0.01 0.06 0.00 0.06 0.00 0.00 58.65 58.73 3f90 h GLN 20 Cb 1.45 0.04 -0.06 0.00 0.30 0.00 0.00 27.48 29.21 3f90 h GLN 20 CO 0.15 -0.11 0.06 -0.22 -0.67 0.00 0.00 178.83 178.05 3f90 h LYS 21 N -0.22 0.17 -0.60 1.46 1.63 -1.46 -1.59 116.57 115.96 3f90 h LYS 21 Ca -0.02 -0.01 0.06 0.00 -0.85 0.00 0.00 60.65 59.83 3f90 h LYS 21 Cb 0.17 -0.04 -0.05 0.00 -0.60 0.00 0.00 32.23 31.71 3f90 h LYS 21 CO 0.03 0.11 0.31 -0.07 -3.45 0.00 0.00 179.45 176.39 3f90 h LEU 22 N 0.18 0.45 -1.38 5.20 3.38 -1.25 0.07 115.31 121.97 3f90 h LEU 22 Ca 0.19 0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.23 3f90 h LEU 22 Cb 0.24 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 3f90 h LEU 22 CO -0.27 0.30 0.45 -0.08 0.09 0.00 0.00 178.44 178.93 3f90 h GLU 23 N 0.59 0.78 -0.18 1.13 4.81 -0.80 0.15 114.58 121.06 3f90 h GLU 23 Ca 0.27 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.43 3f90 h GLU 23 Cb 0.18 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 3f90 h GLU 23 CO -0.18 0.51 0.02 1.49 -0.73 0.00 0.00 179.01 180.12 3f90 h GLU 24 N 0.80 0.30 0.00 1.92 4.81 -0.18 -2.24 114.58 119.99 3f90 h GLU 24 Ca 0.28 -0.09 -0.02 0.00 -0.13 0.00 0.00 59.36 59.41 3f90 h GLU 24 Cb 0.11 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.45 3f90 h GLU 24 CO -0.08 0.48 -0.08 -0.07 -0.73 0.00 0.00 179.01 178.53 3f90 h LEU 25 N 0.08 0.00 0.04 1.64 3.38 -0.50 -2.59 115.31 117.36 3f90 h LEU 25 Ca 0.05 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.72 3f90 h LEU 25 Cb 0.33 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 3f90 h LEU 25 CO 0.01 0.08 -1.71 0.40 0.09 0.00 0.00 178.44 177.31 3f90 h ILE 26 N 0.00 0.88 -0.45 1.22 2.04 -0.70 -3.21 117.51 117.29 3f90 h ILE 26 Ca -0.00 -2.67 -0.14 0.00 1.00 0.00 0.00 64.86 63.05 3f90 h ILE 26 Cb 0.90 2.50 -0.01 0.00 -0.74 0.00 0.00 36.82 39.47 3f90 h ILE 26 CO 0.01 0.65 -0.27 0.00 0.00 0.00 0.00 178.15 178.54 3f90 h ALA 27 N 0.73 0.67 0.00 1.87 0.00 -1.45 -2.27 119.26 118.81 3f90 h ALA 27 Ca -0.30 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.20 3f90 h ALA 27 Cb 2.01 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.64 3f90 h ALA 27 CO 0.09 0.67 0.08 0.00 0.00 0.00 0.00 179.25 180.09 3f90 n ALA 28 N -2.52 0.94 1.22 0.00 0.00 -0.98 0.04 120.51 119.21 3f90 n ALA 28 Ca -0.01 0.19 0.13 0.00 0.00 0.00 0.00 53.44 53.75 3f90 n ALA 28 Cb 0.48 -1.19 0.32 0.00 0.00 0.00 0.00 19.45 19.06 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 -1.29 -0.36 0.37 0.00 0.00 -0.86 -4.95 105.19 98.11 3f90 n GLY 29 Ca -0.01 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 1.33 0.59 3.10 -0.02 0.00 0.11 -5.06 105.19 105.24 3f90 n GLY 30 Ca 0.13 -0.28 -0.09 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.82 0.25 -0.36 1.61 4.02 -1.20 -4.05 115.29 113.73 3f90 s HIS 31 Ca 0.00 -0.58 -0.15 0.00 1.02 0.00 0.00 55.06 55.34 3f90 s HIS 31 Cb 0.00 -0.18 -0.00 0.00 -1.02 0.00 0.00 32.58 31.38 3f90 s HIS 31 CO 0.00 -0.36 0.37 -1.21 1.02 0.00 0.00 174.74 174.56 3f90 s GLU 32 N -2.73 3.44 -0.09 1.40 8.01 -0.80 -4.33 118.70 123.60 3f90 s GLU 32 Ca -0.04 -0.52 -0.02 0.00 0.01 0.00 0.00 54.97 54.39 3f90 s GLU 32 Cb -0.00 -3.84 -0.03 0.00 -4.31 0.00 0.00 34.13 25.94 3f90 s GLU 32 CO -0.05 -0.59 0.00 0.08 0.01 0.00 0.00 175.26 174.71 3f90 s VAL 33 N 2.01 4.33 -0.17 2.63 1.01 -1.26 -1.42 120.40 127.53 3f90 s VAL 33 Ca 0.11 -0.24 -0.01 0.00 0.00 0.00 0.00 61.98 61.84 3f90 s VAL 33 Cb -0.17 -2.83 -0.01 0.00 0.00 0.00 0.00 36.38 33.37 3f90 s VAL 33 CO 0.12 0.59 -0.11 -0.89 0.00 0.00 0.00 175.10 174.81 3f90 s THR 34 N -0.76 2.98 -0.26 3.92 2.01 0.19 -4.97 115.64 118.74 3f90 s THR 34 Ca 0.12 -0.66 -0.11 0.00 0.31 0.00 0.00 61.69 61.35 3f90 s THR 34 Cb -0.12 -2.29 -0.05 0.00 0.01 0.00 0.00 72.50 70.06 3f90 s THR 34 CO 0.02 0.49 0.17 -0.22 -0.69 0.00 0.00 174.62 174.40 3f90 s LEU 35 N 0.88 4.06 0.00 4.42 2.96 -1.26 -1.01 118.68 128.73 3f90 s LEU 35 Ca -0.03 0.05 0.05 0.00 -0.22 0.00 0.00 54.13 53.98 3f90 s LEU 35 Cb -0.15 -2.11 -0.02 0.00 0.50 0.00 0.00 46.19 44.41 3f90 s LEU 35 CO -0.00 0.01 -0.17 -0.22 -1.32 0.00 0.00 176.35 174.65 3f90 s LEU 36 N 1.41 2.07 -0.08 -0.68 0.20 0.11 -4.99 118.68 116.71 3f90 s LEU 36 Ca 0.07 -0.35 -0.17 0.00 0.69 0.00 0.00 54.13 54.37 3f90 s LEU 36 Cb -0.15 -0.84 -0.05 0.00 -0.43 0.00 0.00 46.19 44.73 3f90 s LEU 36 CO 0.08 0.18 0.45 0.21 -0.29 0.00 0.00 176.35 176.97 3f90 s ASN 37 N -0.59 6.71 0.49 3.68 3.84 -1.26 -2.41 114.94 125.40 3f90 s ASN 37 Ca 0.06 0.84 0.33 0.00 0.21 0.00 0.00 52.86 54.30 3f90 s ASN 37 Cb -0.07 -2.27 1.73 0.00 -0.55 0.00 0.00 41.25 40.09 3f90 s ASN 37 CO -0.00 0.10 2.01 0.00 -2.79 0.00 0.00 177.10 176.42 3f90 h ALA 38 N 6.13 1.00 0.00 1.71 0.00 -0.78 0.12 119.26 127.44 3f90 h ALA 38 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3f90 h ALA 38 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3f90 h ALA 38 CO 0.72 0.00 -0.17 0.00 0.00 0.00 0.00 179.25 179.80 3f90 h ALA 39 N 2.02 0.90 -0.14 0.00 0.00 -1.81 -3.15 119.26 117.09 3f90 h ALA 39 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3f90 h ALA 39 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3f90 h ALA 39 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.00 3f90 n ASP 40 N -2.56 2.84 -4.91 0.00 8.00 0.39 -5.03 116.55 115.27 3f90 n ASP 40 Ca 0.04 -1.86 -0.27 0.00 0.71 0.00 0.00 54.79 53.42 3f90 n ASP 40 Cb 0.48 -0.08 -0.00 0.00 -0.02 0.00 0.00 41.12 41.49 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 -1.52 3.47 -0.12 2.24 0.00 -0.94 -4.96 121.76 119.92 3f90 s ALA 41 Ca 0.26 -0.59 -0.01 0.00 0.00 0.00 0.00 51.96 51.63 3f90 s ALA 41 Cb 0.17 -2.48 0.03 0.00 0.00 0.00 0.00 23.12 20.85 3f90 s ALA 41 CO 0.25 -0.26 -0.04 -1.12 0.00 0.00 0.00 175.76 174.59 3f90 s SER 42 N -4.06 2.25 0.22 0.00 0.01 -1.26 -5.05 113.70 105.82 3f90 s SER 42 Ca 0.46 -0.38 -0.07 0.00 1.31 0.00 0.00 55.95 57.26 3f90 s SER 42 Cb -0.10 -0.72 0.32 0.00 0.21 0.00 0.00 66.02 65.72 3f90 s SER 42 CO 0.42 -0.18 1.78 0.00 0.41 0.00 0.00 173.24 175.68 3f90 h ALA 43 N 8.21 0.95 -1.22 1.44 0.00 -1.92 -3.37 119.26 123.35 3f90 h ALA 43 Ca -0.24 0.05 -0.66 0.00 0.00 0.00 0.00 54.91 54.06 3f90 h ALA 43 Cb 1.12 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 3f90 h ALA 43 CO 0.36 -0.05 1.42 -1.91 0.00 0.00 0.00 179.25 179.07 3f90 n GLU 44 N -4.87 1.21 -2.83 0.00 4.07 -1.26 -1.62 120.64 115.35 3f90 n GLU 44 Ca 0.10 0.33 -0.22 0.00 -0.06 0.00 0.00 57.16 57.31 3f90 n GLU 44 Cb 0.26 -2.56 0.02 0.00 -0.06 0.00 0.00 31.44 29.10 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 10.02 -6.02 0.18 4.31 4.13 0.25 -4.89 115.26 123.24 3f90 n ASN 45 Ca 0.39 -0.20 0.04 0.00 1.68 0.00 0.00 54.58 56.50 3f90 n ASN 45 Cb 0.26 -4.92 0.47 0.00 -1.54 0.00 0.00 39.78 34.05 3f90 n ASN 45 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 3f90 h LEU 46 N -0.94 0.11 -0.37 3.41 5.85 -1.01 -2.85 115.31 119.51 3f90 h LEU 46 Ca -0.52 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.18 3f90 h LEU 46 Cb 1.37 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.37 3f90 h LEU 46 CO 0.57 0.24 -0.27 0.00 -0.34 0.00 0.00 178.44 178.65 3f90 n ALA 47 N -2.50 3.09 -1.70 1.25 0.00 -0.91 -4.93 120.51 114.80 3f90 n ALA 47 Ca -0.02 -0.37 -0.55 0.00 0.00 0.00 0.00 53.44 52.51 3f90 n ALA 47 Cb 0.23 -1.17 -0.06 0.00 0.00 0.00 0.00 19.45 18.44 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 -0.85 2.69 0.00 0.00 9.92 -1.08 -0.62 116.55 126.61 3f90 n ASP 48 Ca 0.11 1.05 0.00 0.00 -0.53 0.00 0.00 54.79 55.42 3f90 n ASP 48 Cb 0.34 -1.20 0.00 0.00 -0.64 0.00 0.00 41.12 39.61 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 4.26 0.73 3.52 0.44 0.00 -1.26 -5.04 105.19 107.84 3f90 n GLY 49 Ca 0.25 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.54 3.09 0.18 1.61 1.51 0.21 -4.86 117.35 116.55 3f90 s TYR 50 Ca 0.00 -0.24 0.14 0.00 -1.01 0.00 0.00 57.07 55.96 3f90 s TYR 50 Cb 0.00 -2.03 0.40 0.00 -0.11 0.00 0.00 41.96 40.22 3f90 s TYR 50 CO 0.00 -0.04 1.61 -0.44 -1.11 0.00 0.00 175.55 175.57 3f90 h ASP 51 N 6.94 0.00 -4.59 2.29 3.32 -0.95 -3.46 116.42 119.98 3f90 h ASP 51 Ca -0.34 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.61 3f90 h ASP 51 Cb 1.18 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.52 3f90 h ASP 51 CO 0.64 0.55 -0.15 0.00 -1.72 0.00 0.00 179.24 178.56 3f90 s ALA 52 N -3.46 -1.09 -0.14 3.45 0.00 -1.00 -2.93 121.76 116.59 3f90 s ALA 52 Ca -0.00 0.86 0.00 0.00 0.00 0.00 0.00 51.96 52.83 3f90 s ALA 52 Cb 0.11 -0.24 0.02 0.00 0.00 0.00 0.00 23.12 23.02 3f90 s ALA 52 CO 0.74 -0.26 -0.13 0.08 0.00 0.00 0.00 175.76 176.18 3f90 s VAL 53 N -0.73 1.48 -0.21 0.00 1.01 0.24 -1.00 120.40 121.20 3f90 s VAL 53 Ca -0.08 -0.58 -0.11 0.00 0.00 0.00 0.00 61.98 61.21 3f90 s VAL 53 Cb -0.03 -1.40 -0.05 0.00 0.00 0.00 0.00 36.38 34.90 3f90 s VAL 53 CO 0.04 0.44 0.17 -0.76 0.00 0.00 0.00 175.10 174.99 3f90 s LEU 54 N 1.49 4.19 -0.18 3.92 1.43 0.13 -2.80 118.68 126.85 3f90 s LEU 54 Ca 0.04 0.24 -0.04 0.00 -1.03 0.00 0.00 54.13 53.34 3f90 s LEU 54 Cb -0.13 -2.14 -0.02 0.00 0.03 0.00 0.00 46.19 43.92 3f90 s LEU 54 CO -0.10 0.13 -0.03 -0.36 0.23 0.00 0.00 176.35 176.22 3f90 s PHE 55 N 0.60 3.01 -0.17 0.29 0.40 -0.52 -0.41 117.98 121.17 3f90 s PHE 55 Ca 0.09 -0.46 0.00 0.00 -0.60 0.00 0.00 56.93 55.97 3f90 s PHE 55 Cb -0.12 -2.02 0.01 0.00 0.51 0.00 0.00 43.02 41.40 3f90 s PHE 55 CO 0.01 -0.19 -0.17 0.20 0.70 0.00 0.00 175.22 175.77 3f90 s GLY 56 N 0.74 1.44 -0.07 4.36 0.00 0.11 -1.40 107.32 112.49 3f90 s GLY 56 Ca -0.01 -1.14 -0.03 0.00 0.00 0.00 0.00 44.72 43.54 3f90 s GLY 56 CO 0.02 0.17 0.07 0.00 0.00 0.00 0.00 173.10 173.36 3f90 s SER 58 N 2.17 5.87 -0.11 0.00 1.04 -1.22 -4.34 113.70 117.11 3f90 s SER 58 Ca 0.04 1.64 -0.16 0.00 0.48 0.00 0.00 55.95 57.95 3f90 s SER 58 Cb -0.13 -2.51 -0.05 0.00 0.10 0.00 0.00 66.02 63.44 3f90 s SER 58 CO -0.04 -1.11 0.42 0.00 0.98 0.00 0.00 173.24 173.48 3f90 s ALA 59 N -2.80 3.54 -0.30 5.32 0.00 -1.12 -3.12 121.76 123.28 3f90 s ALA 59 Ca 0.59 -0.26 -0.03 0.00 0.00 0.00 0.00 51.96 52.26 3f90 s ALA 59 Cb -0.13 -2.53 0.10 0.00 0.00 0.00 0.00 23.12 20.55 3f90 s ALA 59 CO 0.45 0.11 0.12 -1.58 0.00 0.00 0.00 175.76 174.86 3f90 s TRP 60 N 0.29 0.83 0.22 0.00 0.52 -1.17 -4.92 118.94 114.70 3f90 s TRP 60 Ca 0.23 -1.22 -0.08 0.00 0.02 0.00 0.00 56.10 55.05 3f90 s TRP 60 Cb -0.15 -1.19 0.18 0.00 -1.15 0.00 0.00 33.47 31.16 3f90 s TRP 60 CO 0.09 -0.85 1.85 0.78 0.02 0.00 0.00 176.95 178.84 3f90 h GLY 61 N 8.22 1.23 0.00 0.98 0.00 -1.94 -3.25 103.07 108.31 3f90 h GLY 61 Ca -0.16 -0.54 0.00 0.00 0.00 0.00 0.00 47.33 46.63 3f90 h GLY 61 CO 0.44 0.52 0.00 1.03 0.00 0.00 0.00 176.54 178.53 3f90 n MET 62 N -4.41 1.71 -0.26 4.80 2.81 -1.26 -4.44 117.12 116.06 3f90 n MET 62 Ca 0.08 0.00 0.23 0.00 -1.81 0.00 0.00 57.70 56.20 3f90 n MET 62 Cb 0.08 0.00 0.38 0.00 -0.71 0.00 0.00 33.22 32.97 3f90 n MET 62 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3f90 n GLU 63 N 0.00 -0.02 -1.67 0.03 1.02 -1.26 -3.60 120.64 115.14 3f90 n GLU 63 Ca 0.00 0.73 -0.32 0.00 -0.02 0.00 0.00 57.16 57.55 3f90 n GLU 63 Cb 0.00 -1.42 -0.02 0.00 -0.02 0.00 0.00 31.44 29.97 3f90 n GLU 63 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3f90 n ASP 64 N -3.88 6.88 -4.23 1.62 9.92 -1.26 -4.84 116.55 120.76 3f90 n ASP 64 Ca 0.23 -3.41 -0.33 0.00 -0.53 0.00 0.00 54.79 50.75 3f90 n ASP 64 Cb 0.88 -1.18 -0.09 0.00 -0.64 0.00 0.00 41.12 40.09 3f90 n ASP 64 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 3f90 n LEU 65 N 0.44 -0.84 0.00 0.64 4.77 -1.24 -2.28 117.00 118.50 3f90 n LEU 65 Ca 0.51 -1.17 0.00 0.00 -0.03 0.00 0.00 56.01 55.32 3f90 n LEU 65 Cb 0.43 -1.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.05 3f90 n LEU 65 CO 0.40 0.30 0.00 1.21 -1.33 0.00 0.00 177.39 177.97 3f90 n GLU 66 N -4.11 0.00 -3.99 3.23 4.07 -1.22 -4.94 120.64 113.68 3f90 n GLU 66 Ca -0.15 0.00 -0.22 0.00 -0.06 0.00 0.00 57.16 56.74 3f90 n GLU 66 Cb 0.56 -2.63 -0.02 0.00 -0.06 0.00 0.00 31.44 29.28 3f90 n GLU 66 CO 0.00 0.00 0.00 -1.64 -0.06 0.00 0.00 177.13 175.43 3f90 s MET 67 N 0.00 3.37 0.21 5.31 -1.94 -0.96 -3.04 119.30 122.25 3f90 s MET 67 Ca 0.00 -0.78 -0.32 0.00 -1.71 0.00 0.00 55.69 52.88 3f90 s MET 67 Cb 0.00 -2.86 -0.12 0.00 2.01 0.00 0.00 34.83 33.86 3f90 s MET 67 CO 0.00 0.44 1.69 0.94 -0.01 0.00 0.00 175.02 178.07 3f90 n GLN 68 N -1.29 2.68 0.00 2.03 0.00 -1.18 -4.70 117.38 114.91 3f90 n GLN 68 Ca -0.09 0.96 0.00 0.00 -0.00 0.00 0.00 57.00 57.88 3f90 n GLN 68 Cb 0.57 -2.79 0.00 0.00 0.00 0.00 0.00 30.24 28.02 3f90 n GLN 68 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 3f90 n ASP 69 N 3.67 0.00 0.22 1.69 10.43 -1.26 -1.00 116.55 130.30 3f90 n ASP 69 Ca 0.15 0.00 0.05 0.00 2.57 0.00 0.00 54.79 57.57 3f90 n ASP 69 Cb 0.34 0.00 0.50 0.00 1.84 0.00 0.00 41.12 43.80 3f90 n ASP 69 CO 0.00 0.00 0.00 0.44 -1.07 0.00 0.00 177.20 176.57 3f90 h ASP 70 N 0.00 0.00 0.63 -2.24 3.32 -1.91 -2.62 116.42 113.60 3f90 h ASP 70 Ca 0.00 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.82 3f90 h ASP 70 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3f90 h ASP 70 CO 0.00 0.21 -1.04 0.15 -1.72 0.00 0.00 179.24 176.84 3f90 h PHE 71 N 0.00 0.37 -0.64 4.55 3.57 -1.40 -3.22 116.94 120.16 3f90 h PHE 71 Ca -0.00 -0.23 0.06 0.00 3.53 0.00 0.00 57.97 61.32 3f90 h PHE 71 Cb 0.37 -0.03 -0.05 0.00 2.79 0.00 0.00 35.95 39.03 3f90 h PHE 71 CO 0.00 1.11 0.34 1.25 -2.23 0.00 0.00 178.31 178.79 3f90 h LEU 72 N 0.10 0.50 -1.15 0.59 5.85 -0.67 0.47 115.31 121.00 3f90 h LEU 72 Ca -0.08 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 3f90 h LEU 72 Cb 1.72 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 42.66 3f90 h LEU 72 CO 0.16 0.32 0.35 0.28 -0.34 0.00 0.00 178.44 179.22 3f90 h SER 73 N 0.64 0.85 0.25 1.25 0.02 -1.62 -1.85 113.55 113.08 3f90 h SER 73 Ca 0.29 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.15 3f90 h SER 73 Cb 0.19 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.52 3f90 h SER 73 CO -0.19 0.70 -0.12 0.25 -1.14 0.00 0.00 176.83 176.33 3f90 h LEU 74 N 0.95 -0.29 -0.74 5.07 5.85 -1.33 -3.30 115.31 121.52 3f90 h LEU 74 Ca 0.24 -0.23 0.14 0.00 0.84 0.00 0.00 57.88 58.86 3f90 h LEU 74 Cb 0.05 0.07 -0.14 0.00 0.37 0.00 0.00 40.66 41.02 3f90 h LEU 74 CO -0.04 0.20 -0.28 0.15 -0.34 0.00 0.00 178.44 178.13 3f90 h PHE 75 N -0.91 -0.73 0.00 1.25 3.57 -0.07 0.17 116.94 120.22 3f90 h PHE 75 Ca -0.03 0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.54 3f90 h PHE 75 Cb 0.50 0.43 0.00 0.00 2.79 0.00 0.00 35.95 39.67 3f90 h PHE 75 CO 0.05 -0.37 0.07 0.39 -2.23 0.00 0.00 178.31 176.23 3f90 n GLU 76 N -5.48 0.09 -1.41 1.11 1.02 -0.70 -0.23 120.64 115.04 3f90 n GLU 76 Ca 0.08 0.57 -0.10 0.00 -0.02 0.00 0.00 57.16 57.68 3f90 n GLU 76 Cb 0.38 -1.86 0.10 0.00 -0.02 0.00 0.00 31.44 30.04 3f90 n GLU 76 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3f90 n GLU 77 N -1.97 2.68 -0.37 3.49 1.02 0.59 -4.81 120.64 121.26 3f90 n GLU 77 Ca -0.01 -3.77 0.00 0.00 -0.02 0.00 0.00 57.16 53.36 3f90 n GLU 77 Cb 0.10 -1.96 0.14 0.00 -0.02 0.00 0.00 31.44 29.69 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 1.66 1.23 0.00 -0.32 -1.00 -0.51 -2.25 116.94 115.76 3f90 h PHE 78 Ca 0.20 0.03 0.00 0.00 2.81 0.00 0.00 57.97 61.01 3f90 h PHE 78 Cb 1.31 -0.41 0.00 0.00 3.61 0.00 0.00 35.95 40.46 3f90 h PHE 78 CO 0.80 0.71 0.00 -0.40 -1.61 0.00 0.00 178.31 177.81 3f90 n ASP 79 N -4.44 0.00 -0.02 2.17 5.68 -1.26 -1.05 116.55 117.63 3f90 n ASP 79 Ca 0.14 0.18 0.11 0.00 -0.50 0.00 0.00 54.79 54.72 3f90 n ASP 79 Cb 0.09 -0.33 0.04 0.00 -1.14 0.00 0.00 41.12 39.78 3f90 n ASP 79 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3f90 n ARG 80 N -1.33 0.05 0.08 0.11 1.74 -0.85 -4.37 116.66 112.09 3f90 n ARG 80 Ca 0.06 -0.04 -0.08 0.00 -0.77 0.00 0.00 57.85 57.02 3f90 n ARG 80 Cb 0.12 -1.50 0.04 0.00 -1.02 0.00 0.00 32.46 30.09 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 0.09 1.45 -0.97 0.55 2.04 -1.07 0.74 117.51 120.34 3f90 h ILE 81 Ca 0.00 -2.38 0.00 0.00 1.00 0.00 0.00 64.86 63.48 3f90 h ILE 81 Cb 0.51 2.29 0.00 0.00 -0.74 0.00 0.00 36.82 38.88 3f90 h ILE 81 CO 0.00 0.70 0.00 0.61 0.00 0.00 0.00 178.15 179.46 3f90 n GLY 82 N 0.66 0.59 0.03 5.37 0.00 -1.26 -2.15 105.19 108.43 3f90 n GLY 82 Ca -0.03 -0.29 0.13 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.49 0.35 -4.68 0.99 4.77 -1.26 -4.76 117.00 111.93 3f90 n LEU 83 Ca 0.00 0.44 -0.49 0.00 -0.03 0.00 0.00 56.01 55.93 3f90 n LEU 83 Cb 0.28 -0.39 -0.05 0.00 -2.33 0.00 0.00 43.42 40.93 3f90 n LEU 83 CO 0.00 -0.04 1.38 0.00 -1.33 0.00 0.00 177.39 177.40 3f90 n ALA 84 N -1.61 0.83 -1.24 -1.18 0.00 -1.15 -1.33 120.51 114.83 3f90 n ALA 84 Ca 0.06 0.34 -0.08 0.00 0.00 0.00 0.00 53.44 53.76 3f90 n ALA 84 Cb 0.37 -2.42 -0.04 0.00 0.00 0.00 0.00 19.45 17.37 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 4.05 1.02 3.70 0.00 0.00 -0.62 -4.88 105.19 108.46 3f90 n GLY 85 Ca 0.21 -0.66 -0.24 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.70 2.51 0.15 1.61 0.52 -0.44 -4.92 118.95 115.68 3f90 s ARG 86 Ca 0.00 -1.18 -0.27 0.00 -0.52 0.00 0.00 55.73 53.76 3f90 s ARG 86 Cb 0.00 -2.35 -0.07 0.00 0.52 0.00 0.00 34.95 33.04 3f90 s ARG 86 CO 0.00 0.42 0.84 0.15 0.02 0.00 0.00 175.30 176.72 3f90 s LYS 87 N -3.38 4.64 0.03 3.54 1.02 -1.15 -0.32 119.74 124.11 3f90 s LYS 87 Ca 0.30 1.26 -0.03 0.00 0.02 0.00 0.00 55.97 57.52 3f90 s LYS 87 Cb -0.08 -3.30 -0.02 0.00 -0.52 0.00 0.00 37.83 33.91 3f90 s LYS 87 CO 0.21 0.45 0.03 0.08 -0.92 0.00 0.00 175.35 175.20 3f90 s VAL 88 N -0.76 0.12 0.17 3.17 1.01 0.21 -0.59 120.40 123.74 3f90 s VAL 88 Ca 0.39 -1.03 -0.21 0.00 0.00 0.00 0.00 61.98 61.13 3f90 s VAL 88 Cb -0.23 -0.61 0.06 0.00 0.00 0.00 0.00 36.38 35.59 3f90 s VAL 88 CO 0.27 -0.57 0.57 0.00 0.00 0.00 0.00 175.10 175.38 3f90 s ALA 89 N -2.04 -1.39 0.09 5.51 0.00 -1.12 -1.43 121.76 121.38 3f90 s ALA 89 Ca -0.10 0.26 0.09 0.00 0.00 0.00 0.00 51.96 52.21 3f90 s ALA 89 Cb -0.05 0.85 -0.03 0.00 0.00 0.00 0.00 23.12 23.89 3f90 s ALA 89 CO -0.03 -0.77 -0.23 0.00 0.00 0.00 0.00 175.76 174.73 3f90 s ALA 90 N -3.78 1.98 0.06 0.00 0.00 -1.26 -1.44 121.76 117.31 3f90 s ALA 90 Ca 0.03 -1.27 -0.09 0.00 0.00 0.00 0.00 51.96 50.63 3f90 s ALA 90 Cb -0.01 -0.32 0.00 0.00 0.00 0.00 0.00 23.12 22.79 3f90 s ALA 90 CO -0.10 0.43 0.19 -0.59 0.00 0.00 0.00 175.76 175.69 3f90 s PHE 91 N -1.03 0.10 0.05 0.00 -0.71 -0.50 -0.83 117.98 115.06 3f90 s PHE 91 Ca 0.09 -0.41 -0.22 0.00 -1.04 0.00 0.00 56.93 55.36 3f90 s PHE 91 Cb -0.10 -0.05 0.05 0.00 -1.21 0.00 0.00 43.02 41.72 3f90 s PHE 91 CO 0.04 -0.47 0.50 0.00 -1.34 0.00 0.00 175.22 173.95 3f90 s ALA 92 N -3.09 -1.27 -0.09 1.99 0.00 0.72 -1.81 121.76 118.21 3f90 s ALA 92 Ca -0.01 0.54 0.00 0.00 0.00 0.00 0.00 51.96 52.49 3f90 s ALA 92 Cb 0.01 0.38 -0.03 0.00 0.00 0.00 0.00 23.12 23.49 3f90 s ALA 92 CO -0.07 -0.50 -0.07 0.45 0.00 0.00 0.00 175.76 175.57 3f90 s SER 93 N -1.99 4.61 0.00 0.00 0.15 -1.26 -2.77 113.70 112.45 3f90 s SER 93 Ca -0.05 -0.07 0.00 0.00 0.70 0.00 0.00 55.95 56.53 3f90 s SER 93 Cb -0.01 -1.30 0.00 0.00 -1.71 0.00 0.00 66.02 63.00 3f90 s SER 93 CO -0.02 0.31 0.00 0.61 1.20 0.00 0.00 173.24 175.34 3f90 n GLY 94 N 2.54 2.82 2.86 9.45 0.00 -0.38 -2.80 105.19 119.68 3f90 n GLY 94 Ca -0.18 -0.98 -0.24 0.00 0.00 0.00 0.00 46.02 44.63 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 0.46 1.72 0.57 1.61 -1.08 -1.26 -3.97 116.67 114.72 3f90 s ASP 95 Ca 0.00 -0.19 0.26 0.00 -0.52 0.00 0.00 52.55 52.10 3f90 s ASP 95 Cb 0.00 -0.62 1.62 0.00 -1.46 0.00 0.00 42.92 42.46 3f90 s ASP 95 CO 0.00 -0.13 2.16 1.56 0.52 0.00 0.00 175.17 179.28 3f90 h GLN 96 N 7.99 0.00 0.00 4.34 1.08 -1.97 -2.47 115.11 124.08 3f90 h GLN 96 Ca -0.27 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.93 3f90 h GLN 96 Cb 1.14 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.57 3f90 h GLN 96 CO 0.37 0.00 0.00 0.39 -0.95 0.00 0.00 178.83 178.64 3f90 n GLU 97 N -4.01 0.50 -4.06 1.46 1.02 -1.26 -4.66 120.64 109.63 3f90 n GLU 97 Ca -0.00 0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 56.88 3f90 n GLU 97 Cb 0.21 -1.42 -0.05 0.00 -0.02 0.00 0.00 31.44 30.16 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 3.22 0.42 -0.32 1.51 -0.93 -5.02 117.35 114.22 3f90 s TYR 98 Ca 0.20 -0.01 0.08 0.00 -1.01 0.00 0.00 57.07 56.33 3f90 s TYR 98 Cb 0.09 -1.52 0.88 0.00 -0.11 0.00 0.00 41.96 41.30 3f90 s TYR 98 CO 0.16 0.51 2.05 1.49 -1.11 0.00 0.00 175.55 178.65 3f90 h GLU 99 N 2.13 0.46 -4.11 -0.62 4.81 -1.88 -3.38 114.58 111.99 3f90 h GLU 99 Ca -0.48 -0.04 -0.62 0.00 -0.13 0.00 0.00 59.36 58.09 3f90 h GLU 99 Cb 1.21 -0.10 -0.40 0.00 0.63 0.00 0.00 28.75 30.09 3f90 h GLU 99 CO 0.64 0.33 -0.74 -1.01 -0.73 0.00 0.00 179.01 177.50 3f90 s HIS 100 N -5.37 2.71 -0.57 0.92 3.76 -1.26 -5.08 115.29 110.40 3f90 s HIS 100 Ca -0.08 -2.36 -0.23 0.00 -0.15 0.00 0.00 55.06 52.25 3f90 s HIS 100 Cb 0.17 -2.31 0.05 0.00 1.11 0.00 0.00 32.58 31.60 3f90 s HIS 100 CO 0.73 -0.91 0.90 0.12 -0.85 0.00 0.00 174.74 174.72 3f90 s PHE 101 N 1.27 2.81 -1.07 1.40 5.36 -1.26 -4.25 117.98 122.23 3f90 s PHE 101 Ca 0.10 -0.22 -0.01 0.00 -0.96 0.00 0.00 56.93 55.85 3f90 s PHE 101 Cb -0.18 -4.04 0.00 0.00 -0.34 0.00 0.00 43.02 38.46 3f90 s PHE 101 CO -0.17 -1.37 0.90 0.00 -1.46 0.00 0.00 175.22 173.12 3f90 h GLY 103 N -1.75 0.00 2.00 0.00 0.00 -1.94 -2.61 103.07 98.77 3f90 h GLY 103 Ca -0.52 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.81 3f90 h GLY 103 CO 0.45 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.99 3f90 h ALA 104 N 2.00 1.00 0.45 3.60 0.00 -1.87 -3.09 119.26 121.35 3f90 h ALA 104 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3f90 h ALA 104 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3f90 h ALA 104 CO 0.00 0.00 -0.22 0.28 0.00 0.00 0.00 179.25 179.31 3f90 h VAL 105 N 0.00 0.00 -0.93 0.00 2.07 -1.78 -0.15 116.25 115.46 3f90 h VAL 105 Ca 0.00 -0.21 0.12 0.00 0.82 0.00 0.00 66.70 67.43 3f90 h VAL 105 Cb 0.24 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 29.93 3f90 h VAL 105 CO 0.00 0.00 0.56 1.55 0.02 0.00 0.00 177.57 179.70 3f90 h PRO 106 N -0.82 0.85 -0.74 1.57 0.13 -1.78 -1.33 132.00 129.88 3f90 h PRO 106 Ca -0.06 -0.05 0.08 0.00 -0.87 0.00 0.00 66.00 65.09 3f90 h PRO 106 Cb 0.46 -0.19 -0.06 0.00 0.13 0.00 0.00 31.00 31.34 3f90 h PRO 106 CO 0.10 0.56 0.42 0.00 -0.23 0.00 0.00 178.00 178.85 3f90 h ALA 107 N 1.52 1.03 -0.11 -0.56 0.00 -1.51 0.14 119.26 119.77 3f90 h ALA 107 Ca 0.47 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.38 3f90 h ALA 107 Cb 0.49 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 3f90 h ALA 107 CO -0.28 0.08 -0.02 0.82 0.00 0.00 0.00 179.25 179.85 3f90 h ILE 108 N 0.74 1.28 -0.78 0.00 2.04 -0.12 -1.94 117.51 118.72 3f90 h ILE 108 Ca 0.35 -0.92 0.05 0.00 1.00 0.00 0.00 64.86 65.33 3f90 h ILE 108 Cb 0.27 1.69 -0.05 0.00 -0.74 0.00 0.00 36.82 37.98 3f90 h ILE 108 CO -0.21 0.26 0.48 -0.33 0.00 0.00 0.00 178.15 178.35 3f90 h GLU 109 N -0.11 0.88 0.18 2.37 5.08 -0.92 -0.73 114.58 121.33 3f90 h GLU 109 Ca 0.03 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 3f90 h GLU 109 Cb 0.42 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 3f90 h GLU 109 CO 0.01 0.58 -0.10 0.93 -1.00 0.00 0.00 179.01 179.44 3f90 h GLU 110 N 0.91 -0.25 -0.20 2.33 5.08 -0.67 -1.75 114.58 120.03 3f90 h GLU 110 Ca 0.33 0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.64 3f90 h GLU 110 Cb 0.11 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 3f90 h GLU 110 CO -0.15 -0.17 -0.15 -0.09 -1.00 0.00 0.00 179.01 177.45 3f90 h ARG 111 N -0.26 0.46 -0.66 2.33 9.65 -1.00 -0.70 114.38 124.20 3f90 h ARG 111 Ca -0.02 -0.23 0.03 0.00 -1.10 0.00 0.00 59.98 58.67 3f90 h ARG 111 Cb 0.21 -0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 28.74 3f90 h ARG 111 CO 0.03 0.78 0.41 0.00 2.80 0.00 0.00 179.97 183.99 3f90 h ALA 112 N 0.67 0.87 -0.54 2.80 0.00 -1.19 -1.80 119.26 120.08 3f90 h ALA 112 Ca 0.04 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3f90 h ALA 112 Cb 0.68 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3f90 h ALA 112 CO 0.04 0.16 0.24 -0.22 0.00 0.00 0.00 179.25 179.47 3f90 h LYS 113 N 0.79 0.78 -0.32 0.00 3.64 -1.18 -0.91 116.57 119.38 3f90 h LYS 113 Ca 0.27 -0.12 0.09 0.00 -1.27 0.00 0.00 60.65 59.62 3f90 h LYS 113 Cb 0.04 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 3f90 h LYS 113 CO -0.11 0.66 0.23 0.93 -2.27 0.00 0.00 179.45 178.89 3f90 h GLU 114 N 0.72 0.00 -0.75 1.90 5.08 -0.57 -2.28 114.58 118.68 3f90 h GLU 114 Ca 0.18 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.39 3f90 h GLU 114 Cb 0.15 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.31 3f90 h GLU 114 CO -0.02 0.00 0.19 1.28 -1.00 0.00 0.00 179.01 179.46 3f90 n LEU 115 N -4.38 5.61 0.00 1.33 4.77 -0.53 -4.88 117.00 118.92 3f90 n LEU 115 Ca 0.05 -2.90 0.00 0.00 -0.03 0.00 0.00 56.01 53.12 3f90 n LEU 115 Cb 0.40 -0.71 0.00 0.00 -2.33 0.00 0.00 43.42 40.78 3f90 n LEU 115 CO 0.35 0.72 0.00 0.61 -1.33 0.00 0.00 177.39 177.74 3f90 n GLY 116 N 0.06 1.20 3.78 -0.72 0.00 -0.86 -2.93 105.19 105.74 3f90 n GLY 116 Ca 0.34 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.06 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 -3.07 2.08 -0.23 4.61 0.00 -0.46 -1.59 121.76 123.10 3f90 s ALA 117 Ca 0.00 -0.18 0.02 0.00 0.00 0.00 0.00 51.96 51.79 3f90 s ALA 117 Cb 0.00 -3.12 0.04 0.00 0.00 0.00 0.00 23.12 20.04 3f90 s ALA 117 CO 0.00 -1.88 -0.14 0.99 0.00 0.00 0.00 175.76 174.73 3f90 s THR 118 N -3.11 2.20 -0.06 0.00 2.01 0.56 -4.42 115.64 112.82 3f90 s THR 118 Ca 0.61 -1.32 -0.30 0.00 0.31 0.00 0.00 61.69 61.00 3f90 s THR 118 Cb -0.15 -2.14 -0.05 0.00 0.01 0.00 0.00 72.50 70.17 3f90 s THR 118 CO 0.55 0.21 1.57 -0.63 -0.69 0.00 0.00 174.62 175.63 3f90 s ILE 119 N 1.19 3.69 -0.52 1.82 -1.09 -1.26 -0.61 121.20 124.42 3f90 s ILE 119 Ca -0.03 0.87 0.14 0.00 -2.23 0.00 0.00 60.65 59.40 3f90 s ILE 119 Cb -0.17 -3.56 -0.17 0.00 -1.58 0.00 0.00 42.46 36.98 3f90 s ILE 119 CO -0.08 -0.07 0.53 2.30 -1.23 0.00 0.00 174.94 176.40 3f90 n ILE 120 N 5.38 0.00 -3.83 2.92 -5.35 -0.51 -4.90 119.36 113.06 3f90 n ILE 120 Ca 0.16 -0.21 -0.12 0.00 -0.27 0.00 0.00 62.75 62.32 3f90 n ILE 120 Cb 0.43 0.81 -0.09 0.00 -1.74 0.00 0.00 39.64 39.05 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 -2.48 -0.48 0.37 -1.28 0.00 -1.26 -4.68 121.76 111.94 3f90 s ALA 121 Ca 0.03 -0.04 -0.26 0.00 0.00 0.00 0.00 51.96 51.69 3f90 s ALA 121 Cb 0.10 0.15 -0.09 0.00 0.00 0.00 0.00 23.12 23.29 3f90 s ALA 121 CO 0.58 -0.27 1.20 -2.00 0.00 0.00 0.00 175.76 175.27 3f90 s GLU 122 N -1.72 4.17 0.30 0.00 2.12 -1.26 -4.66 118.70 117.65 3f90 s GLU 122 Ca -0.12 1.94 -0.30 0.00 0.36 0.00 0.00 54.97 56.85 3f90 s GLU 122 Cb -0.05 -2.82 -0.12 0.00 0.26 0.00 0.00 34.13 31.40 3f90 s GLU 122 CO 0.01 -0.25 1.56 0.41 -0.54 0.00 0.00 175.26 176.44 3f90 n GLY 123 N 0.74 1.24 3.56 -1.50 0.00 -1.26 -4.84 105.19 103.13 3f90 n GLY 123 Ca 0.03 0.45 -0.43 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.57 4.11 -0.22 0.99 2.96 -0.01 -4.97 118.68 120.96 3f90 s LEU 124 Ca 0.63 0.13 -0.01 0.00 -0.22 0.00 0.00 54.13 54.66 3f90 s LEU 124 Cb -0.51 -3.09 0.02 0.00 0.50 0.00 0.00 46.19 43.11 3f90 s LEU 124 CO 0.50 -0.93 -0.10 -0.54 -1.32 0.00 0.00 176.35 173.96 3f90 s LYS 125 N 3.46 2.92 0.24 1.98 1.02 -1.26 -0.20 119.74 127.88 3f90 s LYS 125 Ca 0.34 -0.91 -0.12 0.00 0.02 0.00 0.00 55.97 55.30 3f90 s LYS 125 Cb -0.11 -2.85 -0.01 0.00 -0.52 0.00 0.00 37.83 34.33 3f90 s LYS 125 CO 0.23 -0.32 0.43 0.00 -0.92 0.00 0.00 175.35 174.77 3f90 s MET 126 N 1.32 1.48 0.51 1.68 0.23 -1.11 -5.02 119.30 118.38 3f90 s MET 126 Ca 0.02 -1.27 0.09 0.00 -1.03 0.00 0.00 55.69 53.49 3f90 s MET 126 Cb -0.15 0.45 0.05 0.00 -1.53 0.00 0.00 34.83 33.64 3f90 s MET 126 CO -0.07 -0.60 0.67 -1.21 -2.03 0.00 0.00 175.02 171.78 3f90 s GLU 127 N -4.02 2.50 1.69 3.16 2.02 -1.26 -1.25 118.70 121.54 3f90 s GLU 127 Ca 0.23 -1.51 0.00 0.00 0.02 0.00 0.00 54.97 53.71 3f90 s GLU 127 Cb 0.00 -2.64 0.00 0.00 0.10 0.00 0.00 34.13 31.59 3f90 s GLU 127 CO 0.08 -0.60 0.00 0.41 0.02 0.00 0.00 175.26 175.17 3f90 n GLY 128 N -2.04 0.60 4.01 -1.39 0.00 -1.25 -4.70 105.19 100.41 3f90 n GLY 128 Ca 0.11 -0.82 -0.23 0.00 0.00 0.00 0.00 46.02 45.08 3f90 n GLY 128 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3f90 s ASP 129 N -4.00 4.37 0.57 1.61 3.84 -1.26 -4.71 116.67 117.09 3f90 s ASP 129 Ca 0.00 -0.57 0.27 0.00 -0.00 0.00 0.00 52.55 52.25 3f90 s ASP 129 Cb 0.00 0.24 1.52 0.00 -1.38 0.00 0.00 42.92 43.30 3f90 s ASP 129 CO 0.00 -1.86 2.03 0.00 -0.00 0.00 0.00 175.17 175.34 3f90 h ALA 130 N -0.45 2.10 0.00 2.11 0.00 -1.78 0.20 119.26 121.44 3f90 h ALA 130 Ca -0.33 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.48 3f90 h ALA 130 Cb 1.27 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 3f90 h ALA 130 CO 0.38 -0.47 -0.49 0.66 0.00 0.00 0.00 179.25 179.33 3f90 h SER 131 N 0.00 0.00 0.46 0.00 4.64 -1.93 -2.98 113.55 113.75 3f90 h SER 131 Ca 0.16 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.43 3f90 h SER 131 Cb 0.76 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.85 3f90 h SER 131 CO -0.00 0.37 -0.25 -1.13 -0.87 0.00 0.00 176.83 174.94 3f90 h ASN 132 N 0.00 0.00 -0.95 4.97 -1.24 -0.93 -3.37 115.58 114.06 3f90 h ASN 132 Ca -0.02 0.00 -0.38 0.00 0.71 0.00 0.00 56.30 56.61 3f90 h ASN 132 Cb 1.29 0.00 -0.26 0.00 0.73 0.00 0.00 38.32 40.09 3f90 h ASN 132 CO 0.05 0.25 -0.79 -0.67 -1.29 0.00 0.00 177.43 174.98 3f90 n ASP 133 N -3.81 -1.41 -0.31 1.15 -0.08 -1.20 -4.99 116.55 105.90 3f90 n ASP 133 Ca -0.02 -3.03 -0.02 0.00 -1.51 0.00 0.00 54.79 50.21 3f90 n ASP 133 Cb 0.35 0.66 0.10 0.00 2.34 0.00 0.00 41.12 44.57 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 3.95 1.03 -0.78 -0.67 0.13 -1.69 -2.47 132.00 131.50 3f90 h PRO 134 Ca -0.04 -0.06 -0.02 0.00 -0.87 0.00 0.00 66.00 65.00 3f90 h PRO 134 Cb 0.96 -0.23 -0.04 0.00 0.13 0.00 0.00 31.00 31.82 3f90 h PRO 134 CO 0.39 0.68 0.39 0.93 -0.23 0.00 0.00 178.00 180.16 3f90 h GLU 135 N 1.06 1.11 -0.13 0.86 5.08 -1.94 0.19 114.58 120.81 3f90 h GLU 135 Ca 0.33 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 58.51 3f90 h GLU 135 Cb -0.01 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.03 3f90 h GLU 135 CO -0.11 0.85 -0.03 0.00 -1.00 0.00 0.00 179.01 178.72 3f90 h ALA 136 N 1.20 0.17 -0.24 3.43 0.00 -1.94 -1.47 119.26 120.42 3f90 h ALA 136 Ca 0.27 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 55.02 3f90 h ALA 136 Cb 0.09 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.76 3f90 h ALA 136 CO -0.04 -0.09 -0.34 0.28 0.00 0.00 0.00 179.25 179.06 3f90 h VAL 137 N -0.07 0.24 0.00 0.00 2.07 -1.17 -2.11 116.25 115.21 3f90 h VAL 137 Ca 0.03 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.55 3f90 h VAL 137 Cb 0.44 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 3f90 h VAL 137 CO 0.01 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.60 3f90 h ALA 138 N 0.49 1.00 -0.02 1.67 0.00 -0.56 -1.54 119.26 120.30 3f90 h ALA 138 Ca 0.12 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 3f90 h ALA 138 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3f90 h ALA 138 CO -0.43 0.00 -0.17 1.03 0.00 0.00 0.00 179.25 179.68 3f90 h SER 139 N 0.00 0.18 -0.22 0.00 0.87 -0.74 -2.82 113.55 110.82 3f90 h SER 139 Ca 0.00 -0.71 0.06 0.00 -1.23 0.00 0.00 61.79 59.91 3f90 h SER 139 Cb 0.39 -0.05 -0.07 0.00 -0.44 0.00 0.00 62.40 62.23 3f90 h SER 139 CO 0.00 0.86 -0.37 0.15 -0.53 0.00 0.00 176.83 176.94 3f90 h PHE 140 N -0.49 -1.03 -0.35 2.24 3.57 -0.66 0.64 116.94 120.85 3f90 h PHE 140 Ca -0.02 0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.55 3f90 h PHE 140 Cb 0.87 0.49 -0.03 0.00 2.79 0.00 0.00 35.95 40.07 3f90 h PHE 140 CO 0.16 -0.42 0.19 0.00 -2.23 0.00 0.00 178.31 176.01 3f90 h ALA 141 N 0.40 0.44 -0.16 2.41 0.00 -1.51 -0.88 119.26 119.95 3f90 h ALA 141 Ca 0.11 0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.06 3f90 h ALA 141 Cb 0.57 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 3f90 h ALA 141 CO -0.44 -0.17 -0.08 1.49 0.00 0.00 0.00 179.25 180.06 3f90 h GLU 142 N 0.39 -0.06 -0.89 0.00 4.81 -1.20 0.42 114.58 118.06 3f90 h GLU 142 Ca 0.14 0.00 0.15 0.00 -0.13 0.00 0.00 59.36 59.53 3f90 h GLU 142 Cb 0.03 0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.36 3f90 h GLU 142 CO -0.09 -0.04 0.57 -0.44 -0.73 0.00 0.00 179.01 178.29 3f90 h ASP 143 N -0.06 0.62 -0.07 1.04 5.19 -0.27 0.06 116.42 122.93 3f90 h ASP 143 Ca 0.09 0.04 -0.17 0.00 -0.62 0.00 0.00 57.03 56.37 3f90 h ASP 143 Cb 0.19 -0.08 0.01 0.00 0.18 0.00 0.00 39.33 39.63 3f90 h ASP 143 CO -0.20 0.31 -0.61 0.58 -3.12 0.00 0.00 179.24 176.20 3f90 h VAL 144 N 0.66 1.36 0.00 -1.35 2.07 -0.20 -3.24 116.25 115.55 3f90 h VAL 144 Ca 0.45 -1.94 -0.02 0.00 0.82 0.00 0.00 66.70 66.01 3f90 h VAL 144 Cb 0.78 2.29 -0.00 0.00 -1.52 0.00 0.00 31.29 32.83 3f90 h VAL 144 CO -0.21 0.58 -0.08 -0.07 0.02 0.00 0.00 177.57 177.81 3f90 h LEU 145 N 0.13 0.00 -0.60 2.57 3.38 0.12 -0.58 115.31 120.34 3f90 h LEU 145 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3f90 h LEU 145 Cb 1.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.02 3f90 h LEU 145 CO 0.12 0.08 0.00 0.11 0.09 0.00 0.00 178.44 178.85 3f90 h LYS 146 N 0.00 0.00 -0.02 1.13 1.79 -1.07 -3.00 116.57 115.40 3f90 h LYS 146 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3f90 h LYS 146 Cb 0.19 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.84 3f90 h LYS 146 CO 0.01 0.00 -0.11 1.04 -1.08 0.00 0.00 179.45 179.31 3f90 n GLN 147 N -2.35 1.35 0.00 3.15 1.13 -0.25 -5.12 117.38 115.30 3f90 n GLN 147 Ca 0.03 -1.17 0.12 0.00 -1.94 0.00 0.00 57.00 54.05 3f90 n GLN 147 Cb 0.29 -1.26 0.18 0.00 0.11 0.00 0.00 30.24 29.55 3f90 n GLN 147 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90