#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 3.47 -0.14 1.43 1.02 -1.26 -1.31 119.74 122.95 3f90 s LYS 3 Ca 0.00 -0.38 -0.03 0.00 0.02 0.00 0.00 55.97 55.58 3f90 s LYS 3 Cb 0.00 -3.85 -0.03 0.00 -0.52 0.00 0.00 37.83 33.44 3f90 s LYS 3 CO 0.00 -0.67 -0.05 0.08 -0.92 0.00 0.00 175.35 173.79 3f90 s VAL 4 N 2.25 3.76 -0.21 3.17 1.01 0.09 -0.39 120.40 130.09 3f90 s VAL 4 Ca 0.15 -0.41 -0.08 0.00 0.00 0.00 0.00 61.98 61.64 3f90 s VAL 4 Cb -0.16 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 3f90 s VAL 4 CO 0.13 0.51 0.08 -0.22 0.00 0.00 0.00 175.10 175.60 3f90 s LEU 5 N 0.19 3.74 -0.36 3.92 2.96 -0.32 -0.61 118.68 128.20 3f90 s LEU 5 Ca -0.03 -0.00 -0.05 0.00 -0.22 0.00 0.00 54.13 53.83 3f90 s LEU 5 Cb -0.14 -1.97 0.07 0.00 0.50 0.00 0.00 46.19 44.65 3f90 s LEU 5 CO 0.03 0.10 0.13 -0.63 -1.32 0.00 0.00 176.35 174.66 3f90 s ILE 6 N 0.82 3.51 -0.14 6.68 1.01 -0.62 0.07 121.20 132.54 3f90 s ILE 6 Ca 0.04 -1.49 -0.06 0.00 0.00 0.00 0.00 60.65 59.14 3f90 s ILE 6 Cb -0.13 -3.13 -0.04 0.00 0.01 0.00 0.00 42.46 39.17 3f90 s ILE 6 CO 0.02 -0.35 0.08 -0.69 0.00 0.00 0.00 174.94 174.00 3f90 s VAL 7 N 1.30 4.97 -0.00 2.92 1.01 0.20 -1.07 120.40 129.72 3f90 s VAL 7 Ca 0.01 0.02 -0.01 0.00 0.00 0.00 0.00 61.98 62.00 3f90 s VAL 7 Cb -0.21 -3.19 -0.00 0.00 0.00 0.00 0.00 36.38 32.98 3f90 s VAL 7 CO -0.00 0.54 0.02 0.72 0.00 0.00 0.00 175.10 176.38 3f90 s PHE 8 N -0.36 0.02 -0.19 5.22 -0.12 -0.71 0.47 117.98 122.32 3f90 s PHE 8 Ca 0.10 -0.04 -0.03 0.00 -0.05 0.00 0.00 56.93 56.90 3f90 s PHE 8 Cb -0.12 -0.03 -0.02 0.00 -0.63 0.00 0.00 43.02 42.23 3f90 s PHE 8 CO 0.02 -0.06 -0.05 0.20 -0.05 0.00 0.00 175.22 175.28 3f90 s GLY 9 N -0.30 1.64 -0.12 1.99 0.00 0.27 -0.43 107.32 110.37 3f90 s GLY 9 Ca -0.03 -1.00 -0.07 0.00 0.00 0.00 0.00 44.72 43.61 3f90 s GLY 9 CO -0.00 0.17 0.29 -0.45 0.00 0.00 0.00 173.10 173.11 3f90 s SER 10 N 0.93 -0.33 -0.16 1.64 0.15 -1.26 -3.13 113.70 111.55 3f90 s SER 10 Ca -0.00 0.62 0.12 0.00 0.70 0.00 0.00 55.95 57.38 3f90 s SER 10 Cb -0.15 0.52 -0.18 0.00 -1.71 0.00 0.00 66.02 64.51 3f90 s SER 10 CO 0.01 -0.16 0.02 -1.20 1.20 0.00 0.00 173.24 173.11 3f90 n SER 11 N 3.96 1.43 -0.33 5.45 7.64 -1.26 -4.67 113.62 125.83 3f90 n SER 11 Ca -0.22 -0.02 0.06 0.00 1.01 0.00 0.00 58.87 59.70 3f90 n SER 11 Cb 0.55 0.69 0.09 0.00 -1.01 0.00 0.00 64.21 64.52 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 -2.65 1.14 -0.56 0.44 -2.24 -1.26 -5.01 114.28 104.13 3f90 n THR 12 Ca -0.26 -1.45 0.00 0.00 -2.27 0.00 0.00 64.05 60.06 3f90 n THR 12 Cb 0.98 0.09 0.00 0.00 -2.10 0.00 0.00 70.33 69.29 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 -0.80 1.26 0.10 3.38 0.00 -1.26 -4.92 105.19 102.95 3f90 n GLY 13 Ca 0.10 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.54 1.61 2.35 -1.95 -0.59 115.58 116.35 3f90 h ASN 14 Ca 0.00 -0.47 -0.05 0.00 -0.55 0.00 0.00 56.30 55.22 3f90 h ASN 14 Cb 0.00 0.03 -0.03 0.00 0.05 0.00 0.00 38.32 38.37 3f90 h ASN 14 CO 0.00 0.49 0.15 0.74 -1.65 0.00 0.00 177.43 177.15 3f90 h THR 15 N -0.77 1.23 0.00 2.81 2.02 -1.87 -1.68 112.91 114.65 3f90 h THR 15 Ca -0.01 -0.85 -0.03 0.00 0.77 0.00 0.00 66.41 66.29 3f90 h THR 15 Cb 0.57 0.63 -0.00 0.00 -1.74 0.00 0.00 68.15 67.61 3f90 h THR 15 CO 0.02 0.32 -0.16 -0.08 0.37 0.00 0.00 175.52 175.99 3f90 h GLU 16 N 0.87 0.00 -0.14 6.66 4.81 -1.85 -1.56 114.58 123.37 3f90 h GLU 16 Ca 0.19 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.37 3f90 h GLU 16 Cb 0.31 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.68 3f90 h GLU 16 CO -0.00 0.16 -0.13 1.03 -0.73 0.00 0.00 179.01 179.34 3f90 h SER 17 N 0.00 0.35 -0.86 1.04 0.87 -0.24 -2.13 113.55 112.58 3f90 h SER 17 Ca -0.00 -0.47 -0.02 0.00 -1.23 0.00 0.00 61.79 60.06 3f90 h SER 17 Cb 0.63 -0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 62.46 3f90 h SER 17 CO 0.02 0.75 0.44 0.40 -0.53 0.00 0.00 176.83 177.91 3f90 h ILE 18 N -0.04 1.26 -0.60 2.23 2.04 -1.11 -2.59 117.51 118.69 3f90 h ILE 18 Ca 0.02 -0.68 -0.03 0.00 1.00 0.00 0.00 64.86 65.17 3f90 h ILE 18 Cb 0.64 0.12 -0.03 0.00 -0.74 0.00 0.00 36.82 36.81 3f90 h ILE 18 CO 0.03 0.30 0.25 0.00 0.00 0.00 0.00 178.15 178.73 3f90 h ALA 19 N 1.27 1.31 -0.38 1.87 0.00 -1.22 0.82 119.26 122.92 3f90 h ALA 19 Ca 0.30 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3f90 h ALA 19 Cb 0.07 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3f90 h ALA 19 CO -0.04 0.52 0.15 1.96 0.00 0.00 0.00 179.25 181.84 3f90 h GLN 20 N 0.86 0.57 0.00 0.00 4.20 -1.01 -1.46 115.11 118.26 3f90 h GLN 20 Ca 0.21 -0.10 -0.13 0.00 0.06 0.00 0.00 58.65 58.69 3f90 h GLN 20 Cb 0.15 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 3f90 h GLN 20 CO -0.02 0.54 -0.61 -0.22 -0.67 0.00 0.00 178.83 177.85 3f90 h LYS 21 N 0.47 0.00 -0.54 1.46 1.63 -1.15 -1.60 116.57 116.85 3f90 h LYS 21 Ca 0.13 0.00 -0.11 0.00 -0.85 0.00 0.00 60.65 59.82 3f90 h LYS 21 Cb 0.18 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.79 3f90 h LYS 21 CO -0.01 0.61 -0.08 -0.07 -3.45 0.00 0.00 179.45 176.45 3f90 h LEU 22 N 0.00 0.98 0.36 5.20 3.38 -0.70 -1.26 115.31 123.28 3f90 h LEU 22 Ca -0.01 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.64 3f90 h LEU 22 Cb 1.10 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.58 3f90 h LEU 22 CO 0.08 1.08 -0.19 -0.08 0.09 0.00 0.00 178.44 179.43 3f90 h GLU 23 N 0.89 -0.49 -0.54 1.13 4.81 -0.93 -0.98 114.58 118.46 3f90 h GLU 23 Ca 0.14 0.03 0.08 0.00 -0.13 0.00 0.00 59.36 59.49 3f90 h GLU 23 Cb 0.63 0.11 -0.06 0.00 0.63 0.00 0.00 28.75 30.06 3f90 h GLU 23 CO 0.04 -0.33 0.19 1.49 -0.73 0.00 0.00 179.01 179.68 3f90 h GLU 24 N -0.51 0.36 0.01 1.92 4.81 -1.21 0.18 114.58 120.14 3f90 h GLU 24 Ca -0.05 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.16 3f90 h GLU 24 Cb 0.40 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.70 3f90 h GLU 24 CO 0.07 0.24 -0.00 -0.07 -0.73 0.00 0.00 179.01 178.52 3f90 h LEU 25 N 0.37 -0.01 -1.27 1.64 3.38 -1.17 -0.51 115.31 117.74 3f90 h LEU 25 Ca 0.27 -0.38 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 3f90 h LEU 25 Cb 0.31 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 3f90 h LEU 25 CO -0.28 0.38 -0.17 0.40 0.09 0.00 0.00 178.44 178.86 3f90 h ILE 26 N -0.39 1.21 0.00 1.22 2.04 -0.98 -1.96 117.51 118.65 3f90 h ILE 26 Ca -0.00 -0.95 -0.11 0.00 1.00 0.00 0.00 64.86 64.80 3f90 h ILE 26 Cb 0.39 1.27 -0.02 0.00 -0.74 0.00 0.00 36.82 37.72 3f90 h ILE 26 CO 0.00 0.30 -0.54 0.00 0.00 0.00 0.00 178.15 177.91 3f90 h ALA 27 N 1.56 0.73 0.00 1.87 0.00 -0.61 -1.65 119.26 121.16 3f90 h ALA 27 Ca 0.05 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3f90 h ALA 27 Cb 0.47 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3f90 h ALA 27 CO 0.03 0.67 0.00 0.00 0.00 0.00 0.00 179.25 179.95 3f90 n ALA 28 N -2.27 1.75 0.38 0.00 0.00 -0.20 -1.24 120.51 118.93 3f90 n ALA 28 Ca 0.01 -0.06 0.10 0.00 0.00 0.00 0.00 53.44 53.49 3f90 n ALA 28 Cb 0.69 -1.26 0.26 0.00 0.00 0.00 0.00 19.45 19.14 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 0.14 1.44 1.98 0.00 0.00 -0.63 -4.93 105.19 103.20 3f90 n GLY 29 Ca 0.04 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 1.37 0.40 3.90 -0.02 0.00 -0.37 -5.04 105.19 105.42 3f90 n GLY 30 Ca 0.18 -0.98 -0.21 0.00 0.00 0.00 0.00 46.02 45.02 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 3.07 -0.48 1.61 4.02 -1.21 -4.70 115.29 115.61 3f90 s HIS 31 Ca 0.00 -0.20 -0.16 0.00 1.02 0.00 0.00 55.06 55.72 3f90 s HIS 31 Cb 0.00 -1.73 0.07 0.00 -1.02 0.00 0.00 32.58 29.91 3f90 s HIS 31 CO 0.00 0.25 0.41 -1.21 1.02 0.00 0.00 174.74 175.21 3f90 s GLU 32 N -4.00 2.99 0.09 1.40 2.02 -0.43 -4.44 118.70 116.32 3f90 s GLU 32 Ca 0.39 -1.33 0.02 0.00 0.02 0.00 0.00 54.97 54.06 3f90 s GLU 32 Cb -0.08 -4.14 -0.04 0.00 0.10 0.00 0.00 34.13 29.98 3f90 s GLU 32 CO 0.28 -1.04 0.18 0.14 0.02 0.00 0.00 175.26 174.83 3f90 s VAL 33 N 1.69 5.06 -0.20 2.63 -7.23 -1.26 -0.73 120.40 120.37 3f90 s VAL 33 Ca 0.05 -0.60 -0.01 0.00 -1.81 0.00 0.00 61.98 59.60 3f90 s VAL 33 Cb -0.24 -3.49 0.06 0.00 0.56 0.00 0.00 36.38 33.26 3f90 s VAL 33 CO 0.07 0.08 -0.01 -0.89 -0.31 0.00 0.00 175.10 174.04 3f90 s THR 34 N -1.53 0.92 0.19 5.32 2.01 0.22 -4.93 115.64 117.84 3f90 s THR 34 Ca 0.33 -0.75 -0.22 0.00 0.31 0.00 0.00 61.69 61.37 3f90 s THR 34 Cb -0.12 -1.29 -0.08 0.00 0.01 0.00 0.00 72.50 71.02 3f90 s THR 34 CO 0.26 -0.11 0.73 -0.22 -0.69 0.00 0.00 174.62 174.60 3f90 s LEU 35 N 1.69 4.45 -0.25 4.42 2.96 -1.26 -1.58 118.68 129.11 3f90 s LEU 35 Ca -0.02 1.50 -0.09 0.00 -0.22 0.00 0.00 54.13 55.30 3f90 s LEU 35 Cb -0.17 -3.42 0.11 0.00 0.50 0.00 0.00 46.19 43.20 3f90 s LEU 35 CO -0.07 0.12 0.55 -0.22 -1.32 0.00 0.00 176.35 175.41 3f90 s LEU 36 N -1.59 -0.87 -0.04 -0.68 0.20 -0.23 -4.95 118.68 110.52 3f90 s LEU 36 Ca 0.39 1.31 -0.30 0.00 0.69 0.00 0.00 54.13 56.22 3f90 s LEU 36 Cb -0.19 1.89 -0.03 0.00 -0.43 0.00 0.00 46.19 47.42 3f90 s LEU 36 CO 0.23 -0.22 1.10 0.21 -0.29 0.00 0.00 176.35 177.38 3f90 s ASN 37 N 2.59 7.17 0.36 3.68 3.84 -1.26 -1.74 114.94 129.57 3f90 s ASN 37 Ca -0.05 1.74 0.15 0.00 0.21 0.00 0.00 52.86 54.91 3f90 s ASN 37 Cb -0.11 -2.56 1.03 0.00 -0.55 0.00 0.00 41.25 39.06 3f90 s ASN 37 CO -0.16 -0.47 1.73 0.00 -2.79 0.00 0.00 177.10 175.41 3f90 h ALA 38 N 7.12 2.05 -0.01 1.71 0.00 -1.09 0.41 119.26 129.45 3f90 h ALA 38 Ca -0.36 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3f90 h ALA 38 Cb 1.18 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 3f90 h ALA 38 CO 0.84 -0.52 0.13 0.00 0.00 0.00 0.00 179.25 179.69 3f90 h ALA 39 N 1.69 1.15 0.00 0.00 0.00 -1.81 -0.49 119.26 119.80 3f90 h ALA 39 Ca 0.65 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.56 3f90 h ALA 39 Cb 1.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.27 3f90 h ALA 39 CO -0.42 -0.13 -1.60 -0.25 0.00 0.00 0.00 179.25 176.86 3f90 n ASP 40 N -3.05 0.42 -4.77 0.00 8.00 0.14 -5.00 116.55 112.30 3f90 n ASP 40 Ca -0.02 -0.39 -0.37 0.00 0.71 0.00 0.00 54.79 54.72 3f90 n ASP 40 Cb 0.19 1.60 -0.01 0.00 -0.02 0.00 0.00 41.12 42.88 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 -3.29 2.92 -0.21 2.24 0.00 -0.19 -5.04 121.76 118.19 3f90 s ALA 41 Ca -0.02 0.90 -0.02 0.00 0.00 0.00 0.00 51.96 52.82 3f90 s ALA 41 Cb 0.15 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.89 3f90 s ALA 41 CO 0.88 -0.66 -0.09 -1.12 0.00 0.00 0.00 175.76 174.77 3f90 s SER 42 N -1.45 3.96 0.22 0.00 0.01 -1.26 -5.03 113.70 110.15 3f90 s SER 42 Ca 0.65 -0.50 -0.08 0.00 1.31 0.00 0.00 55.95 57.34 3f90 s SER 42 Cb -0.27 -1.66 0.29 0.00 0.21 0.00 0.00 66.02 64.58 3f90 s SER 42 CO 0.33 -0.02 1.81 0.00 0.41 0.00 0.00 173.24 175.76 3f90 h ALA 43 N 8.06 0.97 -1.29 1.44 0.00 -1.93 -3.37 119.26 123.13 3f90 h ALA 43 Ca -0.42 0.02 -0.70 0.00 0.00 0.00 0.00 54.91 53.81 3f90 h ALA 43 Cb 1.15 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 3f90 h ALA 43 CO 0.61 0.06 1.19 -1.91 0.00 0.00 0.00 179.25 179.20 3f90 n GLU 44 N -4.78 1.16 -4.07 0.00 4.07 -1.26 -1.80 120.64 113.96 3f90 n GLU 44 Ca 0.10 0.38 -0.33 0.00 -0.06 0.00 0.00 57.16 57.25 3f90 n GLU 44 Cb 0.20 -2.29 -0.00 0.00 -0.06 0.00 0.00 31.44 29.29 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 7.73 -3.52 -0.05 4.31 3.02 -0.39 -4.86 115.26 121.49 3f90 n ASN 45 Ca 0.35 -0.92 -0.10 0.00 -0.03 0.00 0.00 54.58 53.88 3f90 n ASN 45 Cb 0.18 -3.25 0.06 0.00 -0.61 0.00 0.00 39.78 36.16 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 -1.76 0.76 0.00 3.41 5.85 -1.26 -3.19 115.31 119.12 3f90 h LEU 46 Ca -0.59 -0.34 0.00 0.00 0.84 0.00 0.00 57.88 57.79 3f90 h LEU 46 Cb 1.38 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.20 3f90 h LEU 46 CO 0.72 1.06 -0.26 0.00 -0.34 0.00 0.00 178.44 179.63 3f90 n ALA 47 N -2.52 2.64 -1.68 1.25 0.00 -1.11 -4.88 120.51 114.21 3f90 n ALA 47 Ca -0.02 -0.15 -0.49 0.00 0.00 0.00 0.00 53.44 52.79 3f90 n ALA 47 Cb 0.53 -1.34 -0.05 0.00 0.00 0.00 0.00 19.45 18.59 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 -2.00 3.18 0.00 0.00 9.92 -1.21 -1.21 116.55 125.24 3f90 n ASP 48 Ca 0.05 1.02 0.00 0.00 -0.53 0.00 0.00 54.79 55.33 3f90 n ASP 48 Cb 0.41 -1.36 0.00 0.00 -0.64 0.00 0.00 41.12 39.53 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 4.01 0.61 3.57 0.44 0.00 -1.26 -5.06 105.19 107.49 3f90 n GLY 49 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.30 3.09 0.25 1.61 1.51 -0.35 -4.81 117.35 116.36 3f90 s TYR 50 Ca 0.00 -0.10 0.07 0.00 -1.01 0.00 0.00 57.07 56.02 3f90 s TYR 50 Cb 0.00 -1.93 0.28 0.00 -0.11 0.00 0.00 41.96 40.20 3f90 s TYR 50 CO 0.00 0.13 1.58 -0.44 -1.11 0.00 0.00 175.55 175.71 3f90 h ASP 51 N 6.29 0.16 -4.69 2.29 3.32 -1.02 -3.46 116.42 119.32 3f90 h ASP 51 Ca -0.37 -0.10 -0.16 0.00 0.02 0.00 0.00 57.03 56.42 3f90 h ASP 51 Cb 1.19 -0.05 -0.22 0.00 0.22 0.00 0.00 39.33 40.47 3f90 h ASP 51 CO 0.62 0.74 -0.54 0.00 -1.72 0.00 0.00 179.24 178.34 3f90 s ALA 52 N -3.69 -0.26 -0.12 3.45 0.00 -1.17 -3.43 121.76 116.54 3f90 s ALA 52 Ca -0.03 -0.08 0.00 0.00 0.00 0.00 0.00 51.96 51.85 3f90 s ALA 52 Cb 0.12 0.04 0.02 0.00 0.00 0.00 0.00 23.12 23.30 3f90 s ALA 52 CO 0.78 -0.17 -0.10 0.08 0.00 0.00 0.00 175.76 176.36 3f90 s VAL 53 N -1.05 1.20 -0.24 0.00 1.01 -0.61 -1.17 120.40 119.53 3f90 s VAL 53 Ca -0.11 -0.41 -0.09 0.00 0.00 0.00 0.00 61.98 61.37 3f90 s VAL 53 Cb -0.06 -1.17 -0.04 0.00 0.00 0.00 0.00 36.38 35.10 3f90 s VAL 53 CO 0.01 0.39 0.12 -0.76 0.00 0.00 0.00 175.10 174.86 3f90 s LEU 54 N 1.53 3.77 -0.18 3.92 1.43 0.11 -2.26 118.68 127.00 3f90 s LEU 54 Ca 0.03 -0.05 -0.09 0.00 -1.03 0.00 0.00 54.13 52.99 3f90 s LEU 54 Cb -0.13 -2.01 -0.05 0.00 0.03 0.00 0.00 46.19 44.03 3f90 s LEU 54 CO -0.08 0.02 0.11 -0.36 0.23 0.00 0.00 176.35 176.27 3f90 s PHE 55 N 1.34 3.37 -0.07 0.29 0.40 -0.32 -0.63 117.98 122.36 3f90 s PHE 55 Ca 0.06 0.26 0.05 0.00 -0.60 0.00 0.00 56.93 56.70 3f90 s PHE 55 Cb -0.15 -2.11 -0.00 0.00 0.51 0.00 0.00 43.02 41.27 3f90 s PHE 55 CO 0.05 0.29 -0.23 0.20 0.70 0.00 0.00 175.22 176.23 3f90 s GLY 56 N 0.21 1.24 -0.29 4.36 0.00 0.18 -1.08 107.32 111.94 3f90 s GLY 56 Ca 0.07 -0.95 -0.09 0.00 0.00 0.00 0.00 44.72 43.76 3f90 s GLY 56 CO -0.01 -0.46 0.62 0.00 0.00 0.00 0.00 173.10 173.25 3f90 s SER 58 N 2.86 5.67 0.15 0.00 1.04 -1.18 -4.56 113.70 117.67 3f90 s SER 58 Ca -0.02 1.16 0.09 0.00 0.48 0.00 0.00 55.95 57.65 3f90 s SER 58 Cb -0.12 -2.05 -0.04 0.00 0.10 0.00 0.00 66.02 63.91 3f90 s SER 58 CO -0.18 -1.18 -0.12 0.00 0.98 0.00 0.00 173.24 172.73 3f90 s ALA 59 N -3.27 2.87 -0.00 5.32 0.00 -1.26 -0.96 121.76 124.45 3f90 s ALA 59 Ca 0.57 -1.40 0.14 0.00 0.00 0.00 0.00 51.96 51.27 3f90 s ALA 59 Cb -0.11 -0.74 0.23 0.00 0.00 0.00 0.00 23.12 22.50 3f90 s ALA 59 CO 0.51 0.54 1.09 0.91 0.00 0.00 0.00 175.76 178.81 3f90 n TRP 60 N 0.39 0.00 -3.82 0.00 7.02 0.63 -4.89 117.44 116.76 3f90 n TRP 60 Ca -0.13 -0.28 -0.34 0.00 -1.02 0.00 0.00 57.50 55.73 3f90 n TRP 60 Cb 0.54 -0.10 -0.05 0.00 -2.42 0.00 0.00 31.31 29.27 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 -1.55 2.22 -0.02 6.99 0.00 -1.25 -4.90 107.32 108.80 3f90 s GLY 61 Ca 0.18 -0.65 -0.01 0.00 0.00 0.00 0.00 44.72 44.24 3f90 s GLY 61 CO -0.09 -0.48 0.12 1.98 0.00 0.00 0.00 173.10 174.62 3f90 h MET 62 N 3.98 -0.04 0.06 2.90 4.05 -1.98 -3.43 114.93 120.46 3f90 h MET 62 Ca -0.50 0.00 -0.28 0.00 -0.28 0.00 0.00 59.70 58.64 3f90 h MET 62 Cb 1.20 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.98 3f90 h MET 62 CO 0.67 -0.03 -1.51 0.93 0.23 0.00 0.00 176.91 177.20 3f90 h GLU 63 N -0.31 0.12 -6.15 0.39 5.08 -2.03 -3.41 114.58 108.28 3f90 h GLU 63 Ca -0.00 -0.21 -0.50 0.00 -1.00 0.00 0.00 59.36 57.64 3f90 h GLU 63 Cb 0.03 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.32 3f90 h GLU 63 CO 0.01 1.10 -0.41 -0.51 -1.00 0.00 0.00 179.01 178.20 3f90 s ASP 64 N -6.94 5.01 -0.05 1.42 1.11 -1.26 -4.93 116.67 111.03 3f90 s ASP 64 Ca -0.25 -0.73 -0.30 0.00 0.18 0.00 0.00 52.55 51.45 3f90 s ASP 64 Cb 0.06 -0.65 -0.04 0.00 1.07 0.00 0.00 42.92 43.36 3f90 s ASP 64 CO 0.68 -0.56 1.34 -0.22 1.18 0.00 0.00 175.17 177.58 3f90 s LEU 65 N -4.06 4.28 -0.28 1.23 1.98 -1.26 -4.17 118.68 116.40 3f90 s LEU 65 Ca 0.45 1.96 -0.03 0.00 -2.89 0.00 0.00 54.13 53.63 3f90 s LEU 65 Cb -0.03 -3.55 0.09 0.00 0.66 0.00 0.00 46.19 43.36 3f90 s LEU 65 CO 0.27 -0.70 0.10 -0.70 -1.89 0.00 0.00 176.35 173.43 3f90 s GLU 66 N 2.68 0.43 0.87 1.98 2.12 -1.26 -4.93 118.70 120.59 3f90 s GLU 66 Ca 0.61 -0.68 -0.12 0.00 0.36 0.00 0.00 54.97 55.14 3f90 s GLU 66 Cb -0.28 -1.64 0.09 0.00 0.26 0.00 0.00 34.13 32.56 3f90 s GLU 66 CO 0.23 -0.93 0.97 -1.33 -0.54 0.00 0.00 175.26 173.67 3f90 n MET 67 N 5.08 -0.13 -1.59 4.30 2.81 -1.26 -0.27 117.12 126.07 3f90 n MET 67 Ca -0.05 0.03 -0.37 0.00 -1.81 0.00 0.00 57.70 55.50 3f90 n MET 67 Cb 0.43 -2.25 0.06 0.00 -0.71 0.00 0.00 33.22 30.75 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 -3.10 0.81 -0.16 0.03 0.00 -0.14 -4.61 117.38 110.21 3f90 n GLN 68 Ca 0.11 0.32 -0.09 0.00 -0.00 0.00 0.00 57.00 57.34 3f90 n GLN 68 Cb 0.52 -2.17 -0.00 0.00 0.00 0.00 0.00 30.24 28.58 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 0.33 0.68 -0.42 1.69 1.82 -1.92 -0.35 116.42 118.25 3f90 h ASP 69 Ca -0.48 -0.23 -0.07 0.00 -0.39 0.00 0.00 57.03 55.86 3f90 h ASP 69 Cb 1.36 -0.18 -0.01 0.00 0.68 0.00 0.00 39.33 41.18 3f90 h ASP 69 CO 0.50 0.73 -0.00 0.44 -1.61 0.00 0.00 179.24 179.30 3f90 h ASP 70 N 0.60 0.73 0.37 2.28 3.32 -1.95 -3.08 116.42 118.68 3f90 h ASP 70 Ca 0.14 -0.31 -0.13 0.00 0.02 0.00 0.00 57.03 56.75 3f90 h ASP 70 Cb 0.31 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 3f90 h ASP 70 CO -0.00 0.86 -0.55 0.15 -1.72 0.00 0.00 179.24 177.98 3f90 h PHE 71 N 0.57 0.24 -0.72 4.55 3.57 -1.84 -3.17 116.94 120.14 3f90 h PHE 71 Ca 0.12 -0.08 0.05 0.00 3.53 0.00 0.00 57.97 61.59 3f90 h PHE 71 Cb 0.49 -0.05 -0.05 0.00 2.79 0.00 0.00 35.95 39.13 3f90 h PHE 71 CO 0.04 0.70 0.42 1.25 -2.23 0.00 0.00 178.31 178.49 3f90 h LEU 72 N 0.15 0.66 -1.75 0.59 5.85 -0.97 0.16 115.31 119.99 3f90 h LEU 72 Ca 0.00 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 3f90 h LEU 72 Cb 1.01 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.92 3f90 h LEU 72 CO 0.08 0.43 -0.14 0.28 -0.34 0.00 0.00 178.44 178.75 3f90 h SER 73 N 0.79 0.00 0.97 1.25 0.02 -1.53 -2.11 113.55 112.95 3f90 h SER 73 Ca 0.31 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 61.12 3f90 h SER 73 Cb 0.14 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.66 3f90 h SER 73 CO -0.16 0.14 -1.10 0.25 -1.14 0.00 0.00 176.83 174.83 3f90 h LEU 74 N 0.00 0.00 -0.45 5.07 5.85 -1.31 -3.30 115.31 121.16 3f90 h LEU 74 Ca -0.00 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 3f90 h LEU 74 Cb 0.27 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 3f90 h LEU 74 CO 0.02 0.54 -0.34 0.15 -0.34 0.00 0.00 178.44 178.47 3f90 h PHE 75 N 0.00 0.00 0.00 1.25 3.57 -0.18 -2.80 116.94 118.79 3f90 h PHE 75 Ca -0.10 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.40 3f90 h PHE 75 Cb 1.50 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.24 3f90 h PHE 75 CO 0.00 0.34 0.00 0.93 -2.23 0.00 0.00 178.31 177.35 3f90 h GLU 76 N 0.00 0.00 -0.29 1.11 5.08 -1.48 -3.08 114.58 115.93 3f90 h GLU 76 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3f90 h GLU 76 Cb 1.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.34 3f90 h GLU 76 CO 0.04 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 178.44 3f90 n GLU 77 N -2.85 2.87 -0.32 2.33 1.02 -1.09 -4.63 120.64 117.97 3f90 n GLU 77 Ca 0.03 -2.44 0.35 0.00 -0.02 0.00 0.00 57.16 55.08 3f90 n GLU 77 Cb 0.39 -1.55 0.74 0.00 -0.02 0.00 0.00 31.44 31.00 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 1.81 0.00 0.00 -0.32 -1.00 -1.41 0.64 116.94 116.66 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 1.08 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.64 3f90 h PHE 78 CO 0.35 0.00 0.00 0.38 -1.61 0.00 0.00 178.31 177.43 3f90 h ASP 79 N 0.00 0.00 0.00 2.17 2.03 -1.86 -3.02 116.42 115.74 3f90 h ASP 79 Ca 0.57 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.87 3f90 h ASP 79 Cb 2.35 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.85 3f90 h ASP 79 CO -0.01 0.00 -1.28 0.54 -1.03 0.00 0.00 179.24 177.46 3f90 n ARG 80 N -2.64 0.86 -0.01 4.15 1.74 0.22 -4.41 116.66 116.57 3f90 n ARG 80 Ca -0.01 -0.07 -0.03 0.00 -0.77 0.00 0.00 57.85 56.97 3f90 n ARG 80 Cb 0.13 -1.39 0.22 0.00 -1.02 0.00 0.00 32.46 30.40 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 0.00 1.24 -2.34 0.55 2.04 -1.45 -1.04 117.51 116.51 3f90 h ILE 81 Ca 0.00 -1.09 0.00 0.00 1.00 0.00 0.00 64.86 64.77 3f90 h ILE 81 Cb 0.61 1.16 0.00 0.00 -0.74 0.00 0.00 36.82 37.84 3f90 h ILE 81 CO 0.00 0.36 0.00 0.61 0.00 0.00 0.00 178.15 179.12 3f90 n GLY 82 N -0.55 0.89 0.03 5.37 0.00 -1.26 -2.74 105.19 106.93 3f90 n GLY 82 Ca 0.01 -0.40 0.13 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.16 0.45 -4.52 0.99 4.77 -1.26 -4.71 117.00 111.56 3f90 n LEU 83 Ca 0.00 0.07 -0.47 0.00 -0.03 0.00 0.00 56.01 55.58 3f90 n LEU 83 Cb 0.39 -0.28 -0.05 0.00 -2.33 0.00 0.00 43.42 41.15 3f90 n LEU 83 CO 0.00 0.11 1.83 0.00 -1.33 0.00 0.00 177.39 178.00 3f90 n ALA 84 N -1.38 1.41 -0.01 -1.18 0.00 -1.21 -0.59 120.51 117.55 3f90 n ALA 84 Ca 0.07 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3f90 n ALA 84 Cb 0.33 -2.73 0.00 0.00 0.00 0.00 0.00 19.45 17.05 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 6.19 0.93 3.81 0.00 0.00 -0.69 -4.90 105.19 110.51 3f90 n GLY 85 Ca 0.36 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.69 4.25 0.36 1.61 0.52 0.24 -4.74 118.95 120.50 3f90 s ARG 86 Ca 0.00 0.80 -0.27 0.00 -0.52 0.00 0.00 55.73 55.73 3f90 s ARG 86 Cb 0.00 -3.23 -0.09 0.00 0.52 0.00 0.00 34.95 32.15 3f90 s ARG 86 CO 0.00 0.62 1.26 0.15 0.02 0.00 0.00 175.30 177.36 3f90 s LYS 87 N -1.16 4.23 -0.06 3.54 1.02 -1.22 -0.73 119.74 125.36 3f90 s LYS 87 Ca 0.30 2.10 -0.06 0.00 0.02 0.00 0.00 55.97 58.33 3f90 s LYS 87 Cb -0.20 -2.93 0.02 0.00 -0.52 0.00 0.00 37.83 34.19 3f90 s LYS 87 CO 0.20 -0.25 0.17 0.08 -0.92 0.00 0.00 175.35 174.63 3f90 s VAL 88 N -1.22 0.01 0.05 3.17 1.01 -0.21 -1.58 120.40 121.63 3f90 s VAL 88 Ca 0.52 -0.06 -0.01 0.00 0.00 0.00 0.00 61.98 62.43 3f90 s VAL 88 Cb -0.37 -0.27 -0.04 0.00 0.00 0.00 0.00 36.38 35.70 3f90 s VAL 88 CO 0.48 -0.03 -0.03 0.00 0.00 0.00 0.00 175.10 175.52 3f90 s ALA 89 N -0.04 0.50 0.03 5.51 0.00 -0.96 -2.35 121.76 124.45 3f90 s ALA 89 Ca -0.01 -1.19 0.02 0.00 0.00 0.00 0.00 51.96 50.78 3f90 s ALA 89 Cb -0.02 0.26 -0.02 0.00 0.00 0.00 0.00 23.12 23.35 3f90 s ALA 89 CO 0.00 -0.36 -0.08 0.00 0.00 0.00 0.00 175.76 175.33 3f90 s ALA 90 N -3.82 0.60 0.19 0.00 0.00 -1.26 -1.17 121.76 116.30 3f90 s ALA 90 Ca 0.06 -0.64 -0.05 0.00 0.00 0.00 0.00 51.96 51.33 3f90 s ALA 90 Cb 0.07 -0.01 -0.03 0.00 0.00 0.00 0.00 23.12 23.15 3f90 s ALA 90 CO -0.10 0.03 0.21 -0.59 0.00 0.00 0.00 175.76 175.32 3f90 s PHE 91 N -1.03 0.85 -0.13 0.00 -0.71 -0.24 -0.23 117.98 116.48 3f90 s PHE 91 Ca -0.06 -1.14 -0.30 0.00 -1.04 0.00 0.00 56.93 54.39 3f90 s PHE 91 Cb -0.08 -0.32 0.13 0.00 -1.21 0.00 0.00 43.02 41.53 3f90 s PHE 91 CO 0.00 -0.71 1.02 0.00 -1.34 0.00 0.00 175.22 174.19 3f90 s ALA 92 N -4.09 -1.93 0.02 1.99 0.00 -0.58 -2.22 121.76 114.95 3f90 s ALA 92 Ca 0.30 1.47 0.00 0.00 0.00 0.00 0.00 51.96 53.73 3f90 s ALA 92 Cb 0.05 -0.41 -0.04 0.00 0.00 0.00 0.00 23.12 22.72 3f90 s ALA 92 CO 0.08 -0.43 0.11 0.45 0.00 0.00 0.00 175.76 175.97 3f90 s SER 93 N -1.57 5.80 0.02 0.00 0.15 -1.26 -2.71 113.70 114.12 3f90 s SER 93 Ca 0.02 0.14 -0.01 0.00 0.70 0.00 0.00 55.95 56.81 3f90 s SER 93 Cb -0.01 -1.67 0.00 0.00 -1.71 0.00 0.00 66.02 62.63 3f90 s SER 93 CO -0.02 0.24 0.03 0.61 1.20 0.00 0.00 173.24 175.29 3f90 n GLY 94 N 0.88 2.09 2.80 9.45 0.00 0.03 -4.36 105.19 116.08 3f90 n GLY 94 Ca -0.11 -1.06 -0.23 0.00 0.00 0.00 0.00 46.02 44.61 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 -1.09 1.63 0.57 1.61 -1.08 -1.26 -4.09 116.67 112.96 3f90 s ASP 95 Ca 0.01 -0.12 0.30 0.00 -0.52 0.00 0.00 52.55 52.21 3f90 s ASP 95 Cb -0.00 -0.51 1.75 0.00 -1.46 0.00 0.00 42.92 42.70 3f90 s ASP 95 CO 0.01 -0.17 2.21 1.56 0.52 0.00 0.00 175.17 179.29 3f90 h GLN 96 N 8.21 0.00 0.00 4.34 4.20 -1.99 -1.82 115.11 128.06 3f90 h GLN 96 Ca -0.23 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.48 3f90 h GLN 96 Cb 1.13 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.91 3f90 h GLN 96 CO 0.30 0.04 0.00 0.39 -0.67 0.00 0.00 178.83 178.89 3f90 n GLU 97 N -3.74 0.59 -4.35 1.46 1.02 -1.26 -4.67 120.64 109.69 3f90 n GLU 97 Ca -0.03 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 56.88 3f90 n GLU 97 Cb 0.13 -1.06 -0.08 0.00 -0.02 0.00 0.00 31.44 30.41 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 2.57 0.16 -0.32 1.51 -0.68 -5.05 117.35 113.53 3f90 s TYR 98 Ca 0.03 -0.26 0.16 0.00 -1.01 0.00 0.00 57.07 55.99 3f90 s TYR 98 Cb 0.01 -1.13 0.48 0.00 -0.11 0.00 0.00 41.96 41.21 3f90 s TYR 98 CO 0.03 0.65 1.65 1.49 -1.11 0.00 0.00 175.55 178.25 3f90 h GLU 99 N 2.00 0.00 -2.29 -0.62 4.81 -1.83 -3.34 114.58 113.31 3f90 h GLU 99 Ca -0.43 0.00 -0.63 0.00 -0.13 0.00 0.00 59.36 58.17 3f90 h GLU 99 Cb 1.25 0.00 -0.40 0.00 0.63 0.00 0.00 28.75 30.23 3f90 h GLU 99 CO 0.60 0.49 -0.39 0.72 -0.73 0.00 0.00 179.01 179.70 3f90 n HIS 100 N -3.55 3.60 -1.54 0.92 8.25 -1.26 -5.06 115.22 116.58 3f90 n HIS 100 Ca -0.00 -3.88 -0.47 0.00 -0.26 0.00 0.00 57.72 53.11 3f90 n HIS 100 Cb 0.59 -0.64 -0.05 0.00 1.12 0.00 0.00 29.99 31.01 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 0.52 1.83 -4.12 4.41 7.35 -1.26 -1.68 117.46 124.51 3f90 n PHE 101 Ca 0.31 0.05 -0.31 0.00 -0.76 0.00 0.00 57.45 56.73 3f90 n PHE 101 Cb 0.39 -2.64 -0.03 0.00 0.35 0.00 0.00 39.48 37.55 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 -1.66 0.00 1.85 0.00 0.00 -1.67 -2.67 103.07 98.91 3f90 h GLY 103 Ca -0.61 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.72 3f90 h GLY 103 CO 0.71 0.00 0.10 0.00 0.00 0.00 0.00 176.54 177.35 3f90 h ALA 104 N 1.98 1.88 0.55 3.60 0.00 -1.85 -2.95 119.26 122.47 3f90 h ALA 104 Ca -0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3f90 h ALA 104 Cb 0.47 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3f90 h ALA 104 CO 0.00 0.11 -0.34 0.28 0.00 0.00 0.00 179.25 179.30 3f90 h VAL 105 N 0.21 0.30 -0.02 0.00 2.07 -1.75 0.33 116.25 117.40 3f90 h VAL 105 Ca 0.06 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.54 3f90 h VAL 105 Cb -0.01 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.05 3f90 h VAL 105 CO -0.01 0.00 -0.17 1.55 0.02 0.00 0.00 177.57 178.96 3f90 h PRO 106 N -0.85 0.03 -0.40 1.57 0.13 -1.75 -0.92 132.00 129.81 3f90 h PRO 106 Ca -0.07 -0.01 -0.07 0.00 -0.87 0.00 0.00 66.00 64.98 3f90 h PRO 106 Cb 0.69 -0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.80 3f90 h PRO 106 CO 0.07 0.20 -0.06 0.00 -0.23 0.00 0.00 178.00 177.98 3f90 h ALA 107 N 1.80 1.15 -0.06 -0.56 0.00 -1.22 -0.72 119.26 119.65 3f90 h ALA 107 Ca 0.00 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.59 3f90 h ALA 107 Cb 0.32 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3f90 h ALA 107 CO 0.02 0.54 -0.17 0.82 0.00 0.00 0.00 179.25 180.46 3f90 h ILE 108 N 0.63 1.44 -0.40 0.00 2.04 0.26 -2.92 117.51 118.55 3f90 h ILE 108 Ca 0.12 -1.56 -0.03 0.00 1.00 0.00 0.00 64.86 64.39 3f90 h ILE 108 Cb 0.48 2.31 -0.02 0.00 -0.74 0.00 0.00 36.82 38.85 3f90 h ILE 108 CO 0.02 0.43 0.13 -0.33 0.00 0.00 0.00 178.15 178.41 3f90 h GLU 109 N -0.30 0.62 0.09 2.37 5.08 -1.10 -0.77 114.58 120.56 3f90 h GLU 109 Ca -0.01 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.22 3f90 h GLU 109 Cb 0.79 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.95 3f90 h GLU 109 CO 0.04 0.61 -0.04 0.93 -1.00 0.00 0.00 179.01 179.54 3f90 h GLU 110 N 0.50 -0.11 -0.40 2.33 3.07 -1.23 0.27 114.58 119.00 3f90 h GLU 110 Ca 0.13 0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 58.96 3f90 h GLU 110 Cb 0.24 0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.16 3f90 h GLU 110 CO -0.01 -0.03 0.08 -0.09 -1.40 0.00 0.00 179.01 177.56 3f90 h ARG 111 N -0.17 0.61 -0.14 2.33 9.65 -1.48 -1.25 114.38 123.93 3f90 h ARG 111 Ca -0.01 -0.11 -0.14 0.00 -1.10 0.00 0.00 59.98 58.61 3f90 h ARG 111 Cb 0.14 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 28.61 3f90 h ARG 111 CO 0.02 0.58 -0.52 0.00 2.80 0.00 0.00 179.97 182.84 3f90 h ALA 112 N 1.50 0.85 -0.29 2.80 0.00 -0.78 -2.75 119.26 120.59 3f90 h ALA 112 Ca 0.13 -0.49 -0.16 0.00 0.00 0.00 0.00 54.91 54.39 3f90 h ALA 112 Cb 0.26 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3f90 h ALA 112 CO 0.00 0.68 -0.47 0.87 0.00 0.00 0.00 179.25 180.33 3f90 h LYS 113 N 0.30 0.76 0.00 0.00 1.57 -0.02 0.75 116.57 119.93 3f90 h LYS 113 Ca 0.01 -0.44 -0.01 0.00 -1.87 0.00 0.00 60.65 58.34 3f90 h LYS 113 Cb 1.02 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.36 3f90 h LYS 113 CO 0.09 1.06 -0.05 0.93 -0.57 0.00 0.00 179.45 180.91 3f90 h GLU 114 N 0.61 0.00 -0.14 3.15 5.08 -1.11 -2.48 114.58 119.68 3f90 h GLU 114 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3f90 h GLU 114 Cb 1.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.29 3f90 h GLU 114 CO 0.10 0.05 0.00 1.28 -1.00 0.00 0.00 179.01 179.45 3f90 n LEU 115 N -3.35 2.94 0.00 1.33 4.77 -1.05 -4.94 117.00 116.70 3f90 n LEU 115 Ca -0.02 -1.09 0.00 0.00 -0.03 0.00 0.00 56.01 54.88 3f90 n LEU 115 Cb 0.20 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 3f90 n LEU 115 CO 0.26 0.54 0.00 0.61 -1.33 0.00 0.00 177.39 177.48 3f90 n GLY 116 N 1.37 0.64 3.77 -0.72 0.00 -0.93 -3.34 105.19 105.97 3f90 n GLY 116 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 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 2.39 -0.32 4.61 0.00 0.24 -1.71 121.76 124.97 3f90 s ALA 117 Ca 0.00 0.52 -0.03 0.00 0.00 0.00 0.00 51.96 52.45 3f90 s ALA 117 Cb 0.00 -3.32 0.05 0.00 0.00 0.00 0.00 23.12 19.85 3f90 s ALA 117 CO 0.00 -1.42 0.04 0.99 0.00 0.00 0.00 175.76 175.37 3f90 s THR 118 N -2.42 3.16 -0.10 0.00 2.01 0.10 -4.44 115.64 113.93 3f90 s THR 118 Ca 0.66 -1.41 -0.30 0.00 0.31 0.00 0.00 61.69 60.96 3f90 s THR 118 Cb -0.20 -2.85 -0.03 0.00 0.01 0.00 0.00 72.50 69.42 3f90 s THR 118 CO 0.45 -0.18 1.42 -0.63 -0.69 0.00 0.00 174.62 174.99 3f90 s ILE 119 N 1.27 3.96 -2.13 1.82 -1.09 -1.26 -1.04 121.20 122.73 3f90 s ILE 119 Ca -0.03 1.19 0.19 0.00 -2.23 0.00 0.00 60.65 59.76 3f90 s ILE 119 Cb -0.20 -3.77 0.27 0.00 -1.58 0.00 0.00 42.46 37.19 3f90 s ILE 119 CO -0.01 -0.09 1.21 2.30 -1.23 0.00 0.00 174.94 177.13 3f90 n ILE 120 N 5.31 0.33 -3.48 2.92 -5.35 -0.99 -4.92 119.36 113.18 3f90 n ILE 120 Ca 0.15 -0.66 -0.10 0.00 -0.27 0.00 0.00 62.75 61.87 3f90 n ILE 120 Cb 0.44 1.11 -0.02 0.00 -1.74 0.00 0.00 39.64 39.42 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 -1.40 -1.75 -0.24 -1.28 0.00 -1.26 -4.56 121.76 111.27 3f90 s ALA 121 Ca 0.28 0.84 -0.29 0.00 0.00 0.00 0.00 51.96 52.79 3f90 s ALA 121 Cb 0.17 0.56 -0.02 0.00 0.00 0.00 0.00 23.12 23.84 3f90 s ALA 121 CO 0.25 -0.71 1.55 -2.00 0.00 0.00 0.00 175.76 174.85 3f90 s GLU 122 N -3.29 3.81 0.23 0.00 2.12 -1.26 -4.81 118.70 115.50 3f90 s GLU 122 Ca 0.03 1.55 -0.27 0.00 0.36 0.00 0.00 54.97 56.65 3f90 s GLU 122 Cb -0.01 -4.00 -0.17 0.00 0.26 0.00 0.00 34.13 30.21 3f90 s GLU 122 CO -0.10 -1.27 0.52 0.41 -0.54 0.00 0.00 175.26 174.28 3f90 n GLY 123 N 4.60 -1.72 3.64 -1.50 0.00 -1.26 -4.88 105.19 104.07 3f90 n GLY 123 Ca 0.18 0.30 -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 2.89 4.09 -0.30 0.99 2.96 0.68 -4.97 118.68 125.03 3f90 s LEU 124 Ca 0.63 0.91 0.01 0.00 -0.22 0.00 0.00 54.13 55.46 3f90 s LEU 124 Cb -0.88 -3.04 0.09 0.00 0.50 0.00 0.00 46.19 42.86 3f90 s LEU 124 CO 0.57 -0.42 0.03 -0.54 -1.32 0.00 0.00 176.35 174.67 3f90 s LYS 125 N 2.53 1.26 0.03 1.98 1.02 -1.26 -1.52 119.74 123.78 3f90 s LYS 125 Ca 0.31 -1.34 0.00 0.00 0.02 0.00 0.00 55.97 54.97 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 0.09 -0.85 0.01 0.00 -0.92 0.00 0.00 175.35 173.68 3f90 n MET 126 N 4.58 0.58 -4.46 1.68 0.00 -1.10 -5.05 117.12 113.35 3f90 n MET 126 Ca -0.03 -0.23 -0.22 0.00 0.00 0.00 0.00 57.70 57.21 3f90 n MET 126 Cb 0.43 0.15 -0.10 0.00 0.00 0.00 0.00 33.22 33.69 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 -2.10 1.63 2.44 3.17 2.02 -1.26 -0.79 118.70 123.80 3f90 s GLU 127 Ca 0.02 -1.84 0.00 0.00 0.02 0.00 0.00 54.97 53.17 3f90 s GLU 127 Cb 0.00 -1.24 0.00 0.00 0.10 0.00 0.00 34.13 32.99 3f90 s GLU 127 CO 0.01 0.03 0.00 0.41 0.02 0.00 0.00 175.26 175.73 3f90 n GLY 128 N -0.65 0.44 0.55 -1.39 0.00 -1.26 -4.55 105.19 98.33 3f90 n GLY 128 Ca -0.05 -0.85 -0.04 0.00 0.00 0.00 0.00 46.02 45.08 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 -3.11 0.02 -0.02 1.61 3.85 -1.26 -4.68 116.55 112.96 3f90 n ASP 129 Ca 0.00 -1.07 -0.02 0.00 -0.71 0.00 0.00 54.79 52.99 3f90 n ASP 129 Cb 0.00 -0.14 0.24 0.00 -1.35 0.00 0.00 41.12 39.87 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 -1.96 1.24 0.00 2.12 0.00 -1.80 -2.58 119.26 116.28 3f90 h ALA 130 Ca -0.06 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.54 3f90 h ALA 130 Cb 0.17 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3f90 h ALA 130 CO 0.04 0.50 -0.25 0.66 0.00 0.00 0.00 179.25 180.20 3f90 h SER 131 N 0.53 0.00 0.53 0.00 4.64 -1.93 -2.60 113.55 114.73 3f90 h SER 131 Ca 0.10 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.39 3f90 h SER 131 Cb 0.45 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.54 3f90 h SER 131 CO 0.02 0.25 -0.15 -1.13 -0.87 0.00 0.00 176.83 174.95 3f90 h ASN 132 N 0.00 0.00 -1.01 4.97 -1.24 -1.75 -3.34 115.58 113.21 3f90 h ASN 132 Ca -0.00 0.00 -0.39 0.00 0.71 0.00 0.00 56.30 56.62 3f90 h ASN 132 Cb 0.47 0.00 -0.27 0.00 0.73 0.00 0.00 38.32 39.26 3f90 h ASN 132 CO 0.03 0.15 -0.80 -0.67 -1.29 0.00 0.00 177.43 174.86 3f90 n ASP 133 N -3.56 -1.38 0.30 1.15 -0.08 -1.01 -4.98 116.55 107.00 3f90 n ASP 133 Ca -0.01 -2.99 0.19 0.00 -1.51 0.00 0.00 54.79 50.46 3f90 n ASP 133 Cb 0.30 0.60 0.94 0.00 2.34 0.00 0.00 41.12 45.29 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 4.02 0.00 0.00 -0.67 0.13 -1.61 -2.69 132.00 131.18 3f90 h PRO 134 Ca -0.04 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.96 3f90 h PRO 134 Cb 0.96 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.06 3f90 h PRO 134 CO 0.39 0.03 -0.85 0.93 -0.23 0.00 0.00 178.00 178.27 3f90 h GLU 135 N 0.00 0.00 0.18 0.86 5.08 -1.94 -2.58 114.58 116.19 3f90 h GLU 135 Ca -0.00 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.03 3f90 h GLU 135 Cb 0.23 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.49 3f90 h GLU 135 CO 0.00 0.48 -1.57 0.00 -1.00 0.00 0.00 179.01 176.92 3f90 h ALA 136 N 1.42 0.09 -0.43 3.43 0.00 -1.88 -2.69 119.26 119.21 3f90 h ALA 136 Ca -0.06 -1.03 0.01 0.00 0.00 0.00 0.00 54.91 53.84 3f90 h ALA 136 Cb 1.49 0.29 -0.03 0.00 0.00 0.00 0.00 17.79 19.55 3f90 h ALA 136 CO 0.07 0.96 0.27 0.28 0.00 0.00 0.00 179.25 180.82 3f90 h VAL 137 N 0.11 1.07 -0.14 0.00 2.07 -1.60 -1.85 116.25 115.91 3f90 h VAL 137 Ca -0.27 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.06 3f90 h VAL 137 Cb 2.09 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 32.33 3f90 h VAL 137 CO 0.20 0.10 0.08 0.00 0.02 0.00 0.00 177.57 177.97 3f90 h ALA 138 N 1.18 0.18 0.00 1.67 0.00 -1.54 -1.34 119.26 119.41 3f90 h ALA 138 Ca 0.17 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 3f90 h ALA 138 Cb -0.02 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3f90 h ALA 138 CO -0.06 -0.30 -0.21 1.03 0.00 0.00 0.00 179.25 179.71 3f90 h SER 139 N 0.13 0.00 -0.11 0.00 0.87 -1.38 0.10 113.55 113.17 3f90 h SER 139 Ca 0.05 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.49 3f90 h SER 139 Cb 0.06 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 3f90 h SER 139 CO -0.01 0.21 -0.40 0.15 -0.53 0.00 0.00 176.83 176.25 3f90 h PHE 140 N 0.00 0.61 -0.41 2.24 3.57 -0.98 -2.61 116.94 119.35 3f90 h PHE 140 Ca -0.00 -0.26 0.00 0.00 3.53 0.00 0.00 57.97 61.24 3f90 h PHE 140 Cb 0.37 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.99 3f90 h PHE 140 CO 0.00 1.01 0.26 0.00 -2.23 0.00 0.00 178.31 177.35 3f90 h ALA 141 N 0.48 0.53 -0.35 2.41 0.00 -0.86 -1.15 119.26 120.32 3f90 h ALA 141 Ca -0.02 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 54.92 3f90 h ALA 141 Cb 1.03 -0.17 -0.09 0.00 0.00 0.00 0.00 17.79 18.57 3f90 h ALA 141 CO 0.08 -0.00 -0.36 1.49 0.00 0.00 0.00 179.25 180.46 3f90 h GLU 142 N 0.55 -0.29 0.09 0.00 4.81 -0.82 0.37 114.58 119.30 3f90 h GLU 142 Ca 0.15 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.40 3f90 h GLU 142 Cb -0.04 0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.41 3f90 h GLU 142 CO -0.03 -0.20 -0.04 -0.44 -0.73 0.00 0.00 179.01 177.57 3f90 h ASP 143 N -0.30 -0.11 -0.40 1.04 5.19 -1.17 -2.08 116.42 118.60 3f90 h ASP 143 Ca 0.15 -0.08 0.07 0.00 -0.62 0.00 0.00 57.03 56.54 3f90 h ASP 143 Cb 0.56 0.03 -0.06 0.00 0.18 0.00 0.00 39.33 40.04 3f90 h ASP 143 CO -0.52 0.02 0.05 0.58 -3.12 0.00 0.00 179.24 176.25 3f90 h VAL 144 N -0.22 0.76 -0.70 -1.35 2.07 -0.98 -1.96 116.25 113.86 3f90 h VAL 144 Ca -0.01 -0.06 0.14 0.00 0.82 0.00 0.00 66.70 67.59 3f90 h VAL 144 Cb 0.18 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 30.48 3f90 h VAL 144 CO 0.02 0.03 0.47 -0.07 0.02 0.00 0.00 177.57 178.04 3f90 h LEU 145 N 0.17 0.35 0.00 2.57 3.38 -0.05 -0.61 115.31 121.12 3f90 h LEU 145 Ca 0.19 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3f90 h LEU 145 Cb 0.25 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3f90 h LEU 145 CO -0.28 0.19 0.00 0.29 0.09 0.00 0.00 178.44 178.73 3f90 n LYS 146 N -4.47 0.07 -0.07 1.13 4.76 -0.74 -2.34 118.16 116.50 3f90 n LYS 146 Ca 0.13 0.16 0.03 0.00 -2.87 0.00 0.00 58.31 55.75 3f90 n LYS 146 Cb 0.50 -1.50 0.06 0.00 -1.84 0.00 0.00 35.03 32.25 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 -1.45 2.51 0.00 1.97 1.13 -0.25 -5.11 117.38 116.19 3f90 n GLN 147 Ca 0.06 -1.63 0.13 0.00 -1.94 0.00 0.00 57.00 53.62 3f90 n GLN 147 Cb 0.21 -1.12 0.35 0.00 0.11 0.00 0.00 30.24 29.79 3f90 n GLN 147 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90