#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jyo h GLN 2 N 0.00 0.50 -0.12 1.96 5.75 -2.05 1.00 115.11 122.14 1jyo h GLN 2 Ca 0.00 -0.09 -0.14 0.00 -0.15 0.00 0.00 58.65 58.27 1jyo h GLN 2 Cb 0.00 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.46 1jyo h GLN 2 CO 0.00 0.50 -0.54 0.00 -2.65 0.00 0.00 178.83 176.14 1jyo h ALA 3 N 1.56 0.85 -0.28 3.38 0.00 -2.04 -1.03 119.26 121.69 1jyo h ALA 3 Ca 0.11 -0.50 -0.12 0.00 0.00 0.00 0.00 54.91 54.40 1jyo h ALA 3 Cb 0.26 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1jyo h ALA 3 CO 0.00 0.69 -0.28 0.45 0.00 0.00 0.00 179.25 180.11 1jyo h HIS 4 N 0.28 0.83 -0.83 0.00 3.86 -1.73 -1.62 115.15 115.93 1jyo h HIS 4 Ca 0.01 -0.25 -0.02 0.00 -1.16 0.00 0.00 60.37 58.95 1jyo h HIS 4 Cb 1.04 -0.17 -0.04 0.00 1.06 0.00 0.00 27.41 29.30 1jyo h HIS 4 CO 0.03 0.99 0.44 1.96 0.86 0.00 0.00 177.93 182.20 1jyo h GLN 5 N 0.43 1.16 -0.39 2.45 1.08 -0.71 -1.12 115.11 118.01 1jyo h GLN 5 Ca 0.05 -0.14 -0.09 0.00 -1.45 0.00 0.00 58.65 57.02 1jyo h GLN 5 Cb 0.84 -0.22 -0.02 0.00 -0.05 0.00 0.00 27.48 28.03 1jyo h GLN 5 CO 0.07 0.86 -0.11 -0.44 -0.95 0.00 0.00 178.83 178.26 1jyo h ASP 6 N 1.15 0.66 0.08 1.46 3.32 -1.07 -1.47 116.42 120.56 1jyo h ASP 6 Ca 0.29 -0.19 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 1jyo h ASP 6 Cb 0.05 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.42 1jyo h ASP 6 CO -0.04 0.81 -0.04 0.40 -1.72 0.00 0.00 179.24 178.65 1jyo h ILE 7 N 0.62 1.15 0.00 0.35 2.04 -0.72 -2.40 117.51 118.55 1jyo h ILE 7 Ca 0.11 -0.86 -0.04 0.00 1.00 0.00 0.00 64.86 65.08 1jyo h ILE 7 Cb 0.55 1.70 -0.01 0.00 -0.74 0.00 0.00 36.82 38.33 1jyo h ILE 7 CO 0.03 0.21 -0.17 -0.29 0.00 0.00 0.00 178.15 177.93 1jyo h ILE 8 N -0.50 0.55 -0.39 -0.67 2.10 -1.19 -1.75 117.51 115.65 1jyo h ILE 8 Ca -0.01 -0.81 -0.09 0.00 1.08 0.00 0.00 64.86 65.03 1jyo h ILE 8 Cb 0.42 1.54 -0.01 0.00 -1.09 0.00 0.00 36.82 37.68 1jyo h ILE 8 CO 0.02 0.17 -0.11 0.00 -1.08 0.00 0.00 178.15 177.14 1jyo h ALA 9 N 1.83 0.55 -0.71 0.18 0.00 -1.19 0.33 119.26 120.25 1jyo h ALA 9 Ca -0.00 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 1jyo h ALA 9 Cb 0.53 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1jyo h ALA 9 CO 0.02 0.43 0.34 -0.91 0.00 0.00 0.00 179.25 179.13 1jyo h ASN 10 N 0.58 0.93 -0.25 0.00 2.35 -0.83 -1.57 115.58 116.80 1jyo h ASN 10 Ca 0.10 -0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 1jyo h ASN 10 Cb 0.64 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.76 1jyo h ASN 10 CO 0.04 0.81 0.16 0.40 -1.65 0.00 0.00 177.43 177.19 1jyo h ILE 11 N 0.99 1.06 -0.84 2.81 1.08 -1.09 -2.47 117.51 119.04 1jyo h ILE 11 Ca 0.24 -0.11 0.12 0.00 -0.39 0.00 0.00 64.86 64.72 1jyo h ILE 11 Cb 0.13 0.70 -0.08 0.00 -3.07 0.00 0.00 36.82 34.50 1jyo h ILE 11 CO -0.03 0.06 0.47 1.23 -0.69 0.00 0.00 178.15 179.19 1jyo h GLY 12 N 0.33 1.34 0.62 5.37 0.00 -0.39 -1.89 103.07 108.46 1jyo h GLY 12 Ca 0.09 -0.30 0.05 0.00 0.00 0.00 0.00 47.33 47.18 1jyo h GLY 12 CO -0.02 0.06 0.15 0.83 0.00 0.00 0.00 176.54 177.56 1jyo h GLU 13 N 0.74 0.30 0.00 4.80 5.08 -0.84 0.24 114.58 124.90 1jyo h GLU 13 Ca 0.43 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.70 1jyo h GLU 13 Cb 0.49 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1jyo h GLU 13 CO -0.29 0.20 -0.33 0.87 -1.00 0.00 0.00 179.01 178.45 1jyo h LYS 14 N 0.31 0.00 -0.00 2.33 1.79 -1.14 -2.86 116.57 117.00 1jyo h LYS 14 Ca 0.19 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.66 1jyo h LYS 14 Cb 0.18 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.83 1jyo h LYS 14 CO -0.20 0.33 -0.55 1.28 -1.08 0.00 0.00 179.45 179.23 1jyo n LEU 15 N -4.02 0.71 0.00 2.94 4.77 -0.81 -4.98 117.00 115.61 1jyo n LEU 15 Ca -0.02 -0.15 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 1jyo n LEU 15 Cb 0.38 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1jyo n LEU 15 CO 0.38 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 1jyo n GLY 16 N 1.47 0.60 3.21 -0.72 0.00 0.72 -5.07 105.19 105.41 1jyo n GLY 16 Ca 0.06 -0.79 -0.13 0.00 0.00 0.00 0.00 46.02 45.17 1jyo n GLY 16 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1jyo s LEU 17 N 0.00 0.82 -0.90 0.99 0.05 -0.47 -5.02 118.68 114.15 1jyo s LEU 17 Ca 0.00 0.50 -0.24 0.00 0.05 0.00 0.00 54.13 54.43 1jyo s LEU 17 Cb 0.00 1.12 -0.02 0.00 -2.05 0.00 0.00 46.19 45.24 1jyo s LEU 17 CO 0.00 -0.19 1.81 -2.16 -0.55 0.00 0.00 176.35 175.26 1jyo s PRO 18 N -0.20 2.81 0.21 1.48 0.04 -1.26 -4.08 135.00 134.01 1jyo s PRO 18 Ca -0.03 -0.40 -0.17 0.00 0.04 0.00 0.00 61.00 60.43 1jyo s PRO 18 Cb -0.03 -5.05 -0.08 0.00 0.04 0.00 0.00 34.50 29.38 1jyo s PRO 18 CO 0.01 -3.03 0.68 -0.51 0.04 0.00 0.00 177.00 174.19 1jyo s LEU 19 N 8.74 4.30 0.11 -3.56 1.43 -1.26 -5.07 118.68 123.38 1jyo s LEU 19 Ca 0.64 1.30 -0.17 0.00 -1.03 0.00 0.00 54.13 54.86 1jyo s LEU 19 Cb -0.06 -3.57 0.04 0.00 0.03 0.00 0.00 46.19 42.64 1jyo s LEU 19 CO -0.01 0.02 0.43 0.28 0.23 0.00 0.00 176.35 177.30 1jyo s THR 20 N -1.57 0.06 0.07 5.49 -1.32 -1.26 -4.03 115.64 113.07 1jyo s THR 20 Ca 0.43 -0.48 -0.10 0.00 -1.21 0.00 0.00 61.69 60.33 1jyo s THR 20 Cb -0.15 -1.11 -0.06 0.00 -1.51 0.00 0.00 72.50 69.67 1jyo s THR 20 CO 0.20 -0.26 0.40 -0.36 -2.21 0.00 0.00 174.62 172.38 1jyo s PHE 21 N -3.56 3.60 0.13 9.09 0.40 -1.26 -4.52 117.98 121.86 1jyo s PHE 21 Ca 0.01 0.80 -0.01 0.00 -0.60 0.00 0.00 56.93 57.14 1jyo s PHE 21 Cb 0.01 -2.17 0.03 0.00 0.51 0.00 0.00 43.02 41.40 1jyo s PHE 21 CO -0.10 0.54 0.18 -0.40 0.70 0.00 0.00 175.22 176.13 1jyo n ASP 22 N 1.02 0.18 0.30 1.36 5.75 -0.06 -4.82 116.55 120.29 1jyo n ASP 22 Ca -0.09 -1.17 0.18 0.00 -0.01 0.00 0.00 54.79 53.70 1jyo n ASP 22 Cb 0.52 -0.12 0.97 0.00 -1.03 0.00 0.00 41.12 41.46 1jyo n ASP 22 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 1jyo h ASP 23 N -0.14 0.00 -0.53 -1.12 3.32 -1.99 0.10 116.42 116.06 1jyo h ASP 23 Ca -0.06 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.95 1jyo h ASP 23 Cb 0.20 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.73 1jyo h ASP 23 CO 0.06 0.00 0.05 0.59 -1.72 0.00 0.00 179.24 178.22 1jyo n ASN 24 N -2.85 5.08 -2.69 6.45 3.02 -1.26 -4.93 115.26 118.08 1jyo n ASN 24 Ca -0.02 -3.03 -0.20 0.00 -0.03 0.00 0.00 54.58 51.30 1jyo n ASN 24 Cb 0.16 -0.66 0.00 0.00 -0.61 0.00 0.00 39.78 38.68 1jyo n ASN 24 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1jyo n ASN 25 N 0.17 -5.35 -4.35 6.41 3.02 0.35 -4.89 115.26 110.62 1jyo n ASN 25 Ca 0.29 -0.09 -0.24 0.00 -0.03 0.00 0.00 54.58 54.51 1jyo n ASN 25 Cb 1.16 -4.42 -0.12 0.00 -0.61 0.00 0.00 39.78 35.79 1jyo n ASN 25 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1jyo s GLN 26 N -5.33 1.30 -0.08 3.52 -0.21 -1.26 -1.16 119.66 116.44 1jyo s GLN 26 Ca 0.13 -1.37 -0.02 0.00 0.02 0.00 0.00 55.36 54.11 1jyo s GLN 26 Cb -0.06 -1.50 0.04 0.00 1.00 0.00 0.00 33.01 32.49 1jyo s GLN 26 CO 0.16 0.32 0.04 0.00 -2.12 0.00 0.00 175.29 173.70 1jyo s LEU 28 N 2.08 4.13 0.03 0.00 1.43 -1.26 -0.99 118.68 124.10 1jyo s LEU 28 Ca 0.04 0.34 0.01 0.00 -1.03 0.00 0.00 54.13 53.49 1jyo s LEU 28 Cb -0.13 -2.10 -0.02 0.00 0.03 0.00 0.00 46.19 43.96 1jyo s LEU 28 CO -0.05 0.37 -0.06 -0.76 0.23 0.00 0.00 176.35 176.08 1jyo s LEU 29 N -1.20 2.25 -0.16 1.79 1.43 0.65 -5.01 118.68 118.43 1jyo s LEU 29 Ca 0.17 -0.53 0.01 0.00 -1.03 0.00 0.00 54.13 52.76 1jyo s LEU 29 Cb -0.12 -0.06 0.02 0.00 0.03 0.00 0.00 46.19 46.06 1jyo s LEU 29 CO 0.07 -0.24 -0.18 -0.22 0.23 0.00 0.00 176.35 176.01 1jyo s LEU 30 N -1.52 1.94 -0.08 1.79 2.96 -1.26 -1.19 118.68 121.33 1jyo s LEU 30 Ca -0.12 -0.57 0.01 0.00 -0.22 0.00 0.00 54.13 53.23 1jyo s LEU 30 Cb -0.10 -1.34 -0.03 0.00 0.50 0.00 0.00 46.19 45.22 1jyo s LEU 30 CO -0.00 -0.01 -0.10 -0.76 -1.32 0.00 0.00 176.35 174.16 1jyo s LEU 31 N 1.26 2.96 0.00 -0.68 1.43 0.47 -4.59 118.68 119.53 1jyo s LEU 31 Ca 0.02 -0.13 0.00 0.00 -1.03 0.00 0.00 54.13 52.99 1jyo s LEU 31 Cb -0.13 -1.64 0.00 0.00 0.03 0.00 0.00 46.19 44.45 1jyo s LEU 31 CO -0.10 0.31 0.00 0.47 0.23 0.00 0.00 176.35 177.26 1jyo n ASP 32 N 2.55 -2.52 0.00 2.29 8.00 -1.26 -1.66 116.55 123.95 1jyo n ASP 32 Ca -0.18 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.32 1jyo n ASP 32 Cb 0.53 -1.84 0.00 0.00 -0.02 0.00 0.00 41.12 39.79 1jyo n ASP 32 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1jyo n SER 33 N 0.98 0.00 0.00 -2.24 3.41 -1.26 -4.77 113.62 109.74 1jyo n SER 33 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1jyo n SER 33 Cb 0.21 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.16 1jyo n SER 33 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1jyo n ASP 34 N 0.00 0.00 -4.40 4.04 -0.08 -0.91 -5.06 116.55 110.14 1jyo n ASP 34 Ca 0.00 -0.86 -0.38 0.00 -1.51 0.00 0.00 54.79 52.04 1jyo n ASP 34 Cb 0.00 0.00 -0.12 0.00 2.34 0.00 0.00 41.12 43.34 1jyo n ASP 34 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1jyo s ILE 35 N 0.00 4.36 -0.28 5.18 -1.09 -0.66 -4.97 121.20 123.74 1jyo s ILE 35 Ca 0.00 -0.57 -0.11 0.00 -2.23 0.00 0.00 60.65 57.74 1jyo s ILE 35 Cb 0.00 -3.25 -0.05 0.00 -1.58 0.00 0.00 42.46 37.58 1jyo s ILE 35 CO 0.00 0.04 0.19 -0.36 -1.23 0.00 0.00 174.94 173.58 1jyo s PHE 36 N 1.56 3.22 0.03 3.97 0.40 -1.26 -0.40 117.98 125.50 1jyo s PHE 36 Ca 0.04 0.12 0.04 0.00 -0.60 0.00 0.00 56.93 56.53 1jyo s PHE 36 Cb -0.17 -2.38 -0.02 0.00 0.51 0.00 0.00 43.02 40.96 1jyo s PHE 36 CO 0.05 -0.16 -0.13 0.99 0.70 0.00 0.00 175.22 176.66 1jyo s THR 37 N 1.76 1.05 0.01 0.64 2.01 -0.33 -2.46 115.64 118.31 1jyo s THR 37 Ca 0.07 -0.89 0.05 0.00 0.31 0.00 0.00 61.69 61.23 1jyo s THR 37 Cb -0.16 -0.94 -0.02 0.00 0.01 0.00 0.00 72.50 71.39 1jyo s THR 37 CO 0.11 0.05 -0.17 -0.55 -0.69 0.00 0.00 174.62 173.37 1jyo s SER 38 N -0.96 1.99 -0.09 3.53 0.15 0.40 -0.25 113.70 118.46 1jyo s SER 38 Ca 0.02 -0.37 0.04 0.00 0.70 0.00 0.00 55.95 56.34 1jyo s SER 38 Cb -0.07 -0.19 -0.00 0.00 -1.71 0.00 0.00 66.02 64.04 1jyo s SER 38 CO 0.01 0.17 -0.24 -0.63 1.20 0.00 0.00 173.24 173.75 1jyo s ILE 39 N -0.54 2.02 -0.10 6.45 1.01 -0.16 -1.18 121.20 128.70 1jyo s ILE 39 Ca 0.06 -1.01 0.00 0.00 0.00 0.00 0.00 60.65 59.70 1jyo s ILE 39 Cb -0.07 -1.74 0.02 0.00 0.01 0.00 0.00 42.46 40.68 1jyo s ILE 39 CO 0.00 0.55 -0.08 -0.70 0.00 0.00 0.00 174.94 174.72 1jyo s GLU 40 N 0.27 1.46 -0.12 2.79 2.12 0.10 -0.98 118.70 124.34 1jyo s GLU 40 Ca -0.16 -0.25 -0.29 0.00 0.36 0.00 0.00 54.97 54.62 1jyo s GLU 40 Cb -0.17 -1.46 -0.01 0.00 0.26 0.00 0.00 34.13 32.75 1jyo s GLU 40 CO 0.08 -0.20 1.03 0.00 -0.54 0.00 0.00 175.26 175.63 1jyo s ALA 41 N 1.46 3.45 -0.25 6.30 0.00 -0.31 -0.20 121.76 132.21 1jyo s ALA 41 Ca -0.00 0.37 -0.04 0.00 0.00 0.00 0.00 51.96 52.29 1jyo s ALA 41 Cb -0.13 -3.46 0.09 0.00 0.00 0.00 0.00 23.12 19.62 1jyo s ALA 41 CO -0.05 -0.68 0.12 0.21 0.00 0.00 0.00 175.76 175.36 1jyo s LYS 42 N 2.19 0.15 4.51 0.00 2.20 -0.04 -4.86 119.74 123.89 1jyo s LYS 42 Ca 0.48 -0.37 0.00 0.00 -0.36 0.00 0.00 55.97 55.72 1jyo s LYS 42 Cb -0.18 -1.38 0.00 0.00 -1.51 0.00 0.00 37.83 34.76 1jyo s LYS 42 CO 0.17 -0.90 0.00 -0.25 -0.36 0.00 0.00 175.35 174.00 1jyo n ASP 43 N 5.26 0.00 -0.34 1.43 8.00 -1.26 -1.31 116.55 128.33 1jyo n ASP 43 Ca -0.06 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.44 1jyo n ASP 43 Cb 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.54 1jyo n ASP 43 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1jyo n ASP 44 N -0.69 0.06 -4.17 -2.24 8.00 -1.26 -4.89 116.55 111.36 1jyo n ASP 44 Ca 0.00 -0.17 -0.11 0.00 0.71 0.00 0.00 54.79 55.21 1jyo n ASP 44 Cb 0.00 -0.03 -0.09 0.00 -0.02 0.00 0.00 41.12 40.98 1jyo n ASP 44 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 1jyo s ILE 45 N -1.32 0.01 -0.08 0.53 -4.36 -0.43 -4.87 121.20 110.68 1jyo s ILE 45 Ca 0.00 -1.91 0.04 0.00 -0.26 0.00 0.00 60.65 58.52 1jyo s ILE 45 Cb 0.00 -2.41 -0.01 0.00 1.25 0.00 0.00 42.46 41.29 1jyo s ILE 45 CO 0.00 -0.05 -0.21 0.26 0.24 0.00 0.00 174.94 175.18 1jyo s TRP 46 N -4.13 2.58 -0.21 1.37 0.52 -0.76 -0.86 118.94 117.44 1jyo s TRP 46 Ca 0.35 -0.74 -0.08 0.00 0.02 0.00 0.00 56.10 55.66 1jyo s TRP 46 Cb 0.06 -1.68 -0.04 0.00 -1.15 0.00 0.00 33.47 30.66 1jyo s TRP 46 CO 0.10 -0.23 0.07 -0.51 0.02 0.00 0.00 176.95 176.41 1jyo s LEU 47 N 0.02 3.68 -0.15 2.99 2.01 0.72 -0.56 118.68 127.38 1jyo s LEU 47 Ca -0.08 -0.04 -0.07 0.00 0.01 0.00 0.00 54.13 53.95 1jyo s LEU 47 Cb -0.15 -1.96 -0.04 0.00 0.01 0.00 0.00 46.19 44.05 1jyo s LEU 47 CO 0.05 0.08 0.10 -0.76 1.01 0.00 0.00 176.35 176.83 1jyo s LEU 48 N 0.95 4.09 -0.05 1.79 1.43 0.40 -0.72 118.68 126.57 1jyo s LEU 48 Ca 0.04 0.27 0.04 0.00 -1.03 0.00 0.00 54.13 53.45 1jyo s LEU 48 Cb -0.14 -2.01 0.00 0.00 0.03 0.00 0.00 46.19 44.07 1jyo s LEU 48 CO 0.03 0.30 -0.15 0.20 0.23 0.00 0.00 176.35 176.96 1jyo s ASN 49 N -0.35 1.93 -0.17 2.29 -0.87 -0.32 -1.33 114.94 116.11 1jyo s ASN 49 Ca 0.10 -0.32 -0.03 0.00 -1.57 0.00 0.00 52.86 51.05 1jyo s ASN 49 Cb -0.12 -0.62 0.05 0.00 -0.02 0.00 0.00 41.25 40.55 1jyo s ASN 49 CO 0.01 0.11 0.03 -0.83 -2.57 0.00 0.00 177.10 173.86 1jyo s GLY 50 N 0.21 0.64 0.30 0.66 0.00 0.43 -0.45 107.32 109.11 1jyo s GLY 50 Ca -0.06 -0.57 -0.30 0.00 0.00 0.00 0.00 44.72 43.79 1jyo s GLY 50 CO 0.02 1.40 1.57 -0.29 0.00 0.00 0.00 173.10 175.81 1jyo s MET 51 N 1.90 4.13 -0.01 2.90 1.75 -1.03 -0.65 119.30 128.28 1jyo s MET 51 Ca 0.00 2.57 -0.01 0.00 -1.25 0.00 0.00 55.69 57.00 1jyo s MET 51 Cb -0.16 -3.02 -0.00 0.00 2.84 0.00 0.00 34.83 34.49 1jyo s MET 51 CO -0.08 -0.61 -0.02 -0.89 -0.65 0.00 0.00 175.02 172.78 1jyo n ILE 52 N 1.93 0.11 -3.63 10.11 2.08 0.01 -4.70 119.36 125.26 1jyo n ILE 52 Ca 0.07 0.35 -0.15 0.00 0.56 0.00 0.00 62.75 63.58 1jyo n ILE 52 Cb 0.38 -1.41 -0.07 0.00 -0.75 0.00 0.00 39.64 37.79 1jyo n ILE 52 CO 0.00 0.00 0.00 0.27 0.56 0.00 0.00 176.55 177.38 1jyo s ILE 53 N -1.12 0.03 0.18 1.39 -4.36 -1.15 -4.84 121.20 111.33 1jyo s ILE 53 Ca -0.02 -0.27 -0.30 0.00 -0.26 0.00 0.00 60.65 59.80 1jyo s ILE 53 Cb 0.00 -0.86 -0.08 0.00 1.25 0.00 0.00 42.46 42.77 1jyo s ILE 53 CO 0.02 -0.15 1.13 -2.16 0.24 0.00 0.00 174.94 174.02 1jyo s PRO 54 N -1.67 4.56 -0.03 0.37 0.04 -1.26 -1.00 135.00 136.01 1jyo s PRO 54 Ca -0.10 1.76 0.01 0.00 0.04 0.00 0.00 61.00 62.71 1jyo s PRO 54 Cb -0.02 -3.27 0.02 0.00 0.04 0.00 0.00 34.50 31.27 1jyo s PRO 54 CO 0.04 0.02 -0.04 -1.17 0.04 0.00 0.00 177.00 175.89 1jyo s LEU 55 N -0.29 1.42 0.27 -3.56 2.96 0.11 -2.03 118.68 117.55 1jyo s LEU 55 Ca 0.51 -0.10 -0.31 0.00 -0.22 0.00 0.00 54.13 54.00 1jyo s LEU 55 Cb -0.30 -0.38 -0.12 0.00 0.50 0.00 0.00 46.19 45.89 1jyo s LEU 55 CO 0.35 -0.04 1.59 -0.24 -1.32 0.00 0.00 176.35 176.69 1jyo n SER 56 N 3.87 3.70 0.07 3.68 2.88 -1.26 -4.40 113.62 122.15 1jyo n SER 56 Ca -0.24 1.13 0.09 0.00 -1.33 0.00 0.00 58.87 58.52 1jyo n SER 56 Cb 0.52 -1.56 0.38 0.00 -0.75 0.00 0.00 64.21 62.79 1jyo n SER 56 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1jyo n PRO 57 N 2.42 0.10 -2.28 -1.46 -0.04 -1.26 -2.38 135.00 130.09 1jyo n PRO 57 Ca 0.10 0.41 -0.23 0.00 -0.04 0.00 0.00 63.50 63.74 1jyo n PRO 57 Cb 0.35 -1.71 0.01 0.00 -0.04 0.00 0.00 33.50 32.12 1jyo n PRO 57 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1jyo n VAL 58 N -1.90 2.33 0.31 0.52 0.24 -1.26 -4.82 118.33 113.75 1jyo n VAL 58 Ca 0.02 -4.39 0.14 0.00 -2.04 0.00 0.00 64.34 58.07 1jyo n VAL 58 Cb 0.15 -0.98 0.65 0.00 -1.47 0.00 0.00 33.84 32.19 1jyo n VAL 58 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1jyo n GLY 60 N -0.40 2.33 0.24 0.00 0.00 -1.26 -4.60 105.19 101.50 1jyo n GLY 60 Ca 0.00 -1.79 0.02 0.00 0.00 0.00 0.00 46.02 44.26 1jyo n GLY 60 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1jyo h ASP 61 N 0.00 -0.01 -0.43 1.61 3.32 -1.99 -2.28 116.42 116.64 1jyo h ASP 61 Ca 0.00 0.13 0.07 0.00 0.02 0.00 0.00 57.03 57.25 1jyo h ASP 61 Cb 0.00 0.18 -0.06 0.00 0.22 0.00 0.00 39.33 39.66 1jyo h ASP 61 CO 0.00 -0.01 0.05 -1.28 -1.72 0.00 0.00 179.24 176.28 1jyo h SER 62 N 0.26 -0.06 -0.13 6.45 0.87 -1.99 0.16 113.55 119.10 1jyo h SER 62 Ca 0.35 0.08 -0.06 0.00 -1.23 0.00 0.00 61.79 60.93 1jyo h SER 62 Cb 0.55 0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 62.64 1jyo h SER 62 CO -0.45 0.00 -0.16 0.40 -0.53 0.00 0.00 176.83 176.10 1jyo h ILE 63 N 0.17 1.36 -0.42 2.23 2.04 -1.72 -1.69 117.51 119.48 1jyo h ILE 63 Ca 0.21 -1.35 0.04 0.00 1.00 0.00 0.00 64.86 64.76 1jyo h ILE 63 Cb 0.28 1.94 -0.04 0.00 -0.74 0.00 0.00 36.82 38.26 1jyo h ILE 63 CO -0.30 0.39 0.19 -0.50 0.00 0.00 0.00 178.15 177.93 1jyo h TRP 64 N -0.06 0.35 -0.65 1.37 -0.00 -1.25 -1.99 115.95 113.72 1jyo h TRP 64 Ca 0.02 0.02 -0.04 0.00 -0.00 0.00 0.00 58.89 58.89 1jyo h TRP 64 Cb 0.70 -0.10 -0.03 0.00 -0.00 0.00 0.00 29.16 29.74 1jyo h TRP 64 CO 0.09 0.17 0.26 -0.09 -0.00 0.00 0.00 178.44 178.87 1jyo h ARG 65 N 0.39 0.98 -0.62 0.49 2.43 -0.67 -0.47 114.38 116.91 1jyo h ARG 65 Ca 0.18 -0.18 0.01 0.00 -0.81 0.00 0.00 59.98 59.18 1jyo h ARG 65 Cb 0.11 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.48 1jyo h ARG 65 CO -0.15 0.83 0.41 0.37 -1.51 0.00 0.00 179.97 179.92 1jyo h GLN 66 N 0.93 0.81 -0.19 0.20 4.15 -1.01 -0.09 115.11 119.90 1jyo h GLN 66 Ca 0.22 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.58 1jyo h GLN 66 Cb 0.22 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.72 1jyo h GLN 66 CO -0.02 0.53 0.10 0.82 -1.93 0.00 0.00 178.83 178.34 1jyo h ILE 67 N 0.83 1.12 0.00 2.39 2.04 -1.05 -1.40 117.51 121.44 1jyo h ILE 67 Ca 0.23 -0.34 -0.06 0.00 1.00 0.00 0.00 64.86 65.70 1jyo h ILE 67 Cb -0.08 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 1jyo h ILE 67 CO -0.06 0.12 -0.28 -0.03 0.00 0.00 0.00 178.15 177.90 1jyo h MET 68 N 0.20 0.00 -0.31 2.37 4.05 -0.74 -1.02 114.93 119.48 1jyo h MET 68 Ca 0.07 0.00 -0.17 0.00 -0.28 0.00 0.00 59.70 59.32 1jyo h MET 68 Cb 0.09 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 30.89 1jyo h MET 68 CO -0.01 0.28 -0.48 0.28 0.23 0.00 0.00 176.91 177.21 1jyo h VAL 69 N 0.00 1.28 -0.62 -5.77 2.07 -0.77 -2.77 116.25 109.67 1jyo h VAL 69 Ca -0.00 -1.66 -0.00 0.00 0.82 0.00 0.00 66.70 65.85 1jyo h VAL 69 Cb 0.50 1.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.82 1jyo h VAL 69 CO 0.04 0.54 0.38 0.40 0.02 0.00 0.00 177.57 178.95 1jyo h ILE 70 N 0.65 1.17 -0.85 4.57 2.04 -0.37 -0.84 117.51 123.88 1jyo h ILE 70 Ca 0.03 -0.37 0.17 0.00 1.00 0.00 0.00 64.86 65.68 1jyo h ILE 70 Cb 1.09 0.29 -0.06 0.00 -0.74 0.00 0.00 36.82 37.40 1jyo h ILE 70 CO 0.11 0.18 0.56 0.78 0.00 0.00 0.00 178.15 179.78 1jyo h ASN 71 N 0.85 0.49 -0.57 1.72 2.35 -0.92 0.06 115.58 119.55 1jyo h ASN 71 Ca 0.22 0.04 -0.08 0.00 -0.55 0.00 0.00 56.30 55.93 1jyo h ASN 71 Cb -0.04 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.25 1jyo h ASN 71 CO -0.04 0.23 0.04 1.23 -1.65 0.00 0.00 177.43 177.24 1jyo h GLY 72 N 0.51 1.06 0.96 2.83 0.00 -1.13 -0.79 103.07 106.51 1jyo h GLY 72 Ca 0.43 -0.75 -0.03 0.00 0.00 0.00 0.00 47.33 46.98 1jyo h GLY 72 CO -0.17 0.69 0.15 0.83 0.00 0.00 0.00 176.54 178.05 1jyo h GLU 73 N 0.88 0.70 -0.49 4.80 5.08 -0.99 -2.28 114.58 122.27 1jyo h GLU 73 Ca 0.17 -0.15 -0.05 0.00 -1.00 0.00 0.00 59.36 58.34 1jyo h GLU 73 Cb 0.49 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 1jyo h GLU 73 CO 0.02 0.67 0.13 -0.07 -1.00 0.00 0.00 179.01 178.75 1jyo h LEU 74 N 0.60 0.74 -1.43 1.33 3.38 -1.01 -3.01 115.31 115.92 1jyo h LEU 74 Ca 0.15 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 1jyo h LEU 74 Cb 0.25 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1jyo h LEU 74 CO -0.01 0.78 0.03 0.00 0.09 0.00 0.00 178.44 179.33 1jyo h ALA 75 N 1.00 1.54 -0.80 1.53 0.00 -0.98 -0.90 119.26 120.65 1jyo h ALA 75 Ca 0.16 -0.14 0.09 0.00 0.00 0.00 0.00 54.91 55.01 1jyo h ALA 75 Cb 0.32 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 1jyo h ALA 75 CO 0.00 0.34 0.52 0.00 0.00 0.00 0.00 179.25 180.11 1jyo h ALA 76 N 1.64 1.71 -0.21 0.00 0.00 -1.27 -2.06 119.26 119.07 1jyo h ALA 76 Ca 0.09 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1jyo h ALA 76 Cb 0.22 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1jyo h ALA 76 CO 0.00 0.14 -0.00 0.09 0.00 0.00 0.00 179.25 179.48 1jyo n ASN 77 N -4.50 3.55 -4.04 0.00 3.02 -1.04 -4.98 115.26 107.26 1jyo n ASN 77 Ca 0.13 -3.05 -0.29 0.00 -0.03 0.00 0.00 54.58 51.34 1jyo n ASN 77 Cb 0.29 -0.53 -0.02 0.00 -0.61 0.00 0.00 39.78 38.91 1jyo n ASN 77 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1jyo n ASN 78 N -0.71 -1.53 0.06 6.41 4.05 -0.78 -4.87 115.26 117.89 1jyo n ASN 78 Ca 0.21 -1.00 0.12 0.00 0.45 0.00 0.00 54.58 54.36 1jyo n ASN 78 Cb 0.85 -3.00 0.15 0.00 1.23 0.00 0.00 39.78 39.01 1jyo n ASN 78 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 177.26 173.88 1jyo h GLU 79 N -1.75 0.00 0.00 1.20 4.39 -1.47 -3.49 114.58 113.45 1jyo h GLU 79 Ca -0.62 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.08 1jyo h GLU 79 Cb 1.38 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.03 1jyo h GLU 79 CO 0.68 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.94 1jyo n GLY 80 N 1.33 0.88 3.04 -3.84 0.00 -1.26 -4.80 105.19 100.54 1jyo n GLY 80 Ca 0.03 -1.91 -0.24 0.00 0.00 0.00 0.00 46.02 43.90 1jyo n GLY 80 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jyo s THR 81 N -1.41 1.09 -0.13 2.61 2.01 0.63 -4.17 115.64 116.27 1jyo s THR 81 Ca 0.00 -0.49 -0.20 0.00 0.31 0.00 0.00 61.69 61.31 1jyo s THR 81 Cb 0.00 -0.98 -0.04 0.00 0.01 0.00 0.00 72.50 71.49 1jyo s THR 81 CO 0.00 0.34 0.59 -0.76 -0.69 0.00 0.00 174.62 174.10 1jyo s LEU 82 N 0.43 4.25 0.20 4.42 1.43 -1.26 -0.55 118.68 127.58 1jyo s LEU 82 Ca -0.09 0.93 0.02 0.00 -1.03 0.00 0.00 54.13 53.96 1jyo s LEU 82 Cb -0.13 -2.87 -0.05 0.00 0.03 0.00 0.00 46.19 43.17 1jyo s LEU 82 CO 0.02 -0.12 -0.00 0.00 0.23 0.00 0.00 176.35 176.49 1jyo s ALA 83 N 1.07 1.53 -0.12 4.21 0.00 -0.14 -4.99 121.76 123.32 1jyo s ALA 83 Ca 0.30 -1.66 0.02 0.00 0.00 0.00 0.00 51.96 50.62 1jyo s ALA 83 Cb -0.16 0.53 -0.00 0.00 0.00 0.00 0.00 23.12 23.49 1jyo s ALA 83 CO 0.13 -0.29 -0.19 -0.47 0.00 0.00 0.00 175.76 174.93 1jyo s TYR 84 N -3.57 2.68 -0.52 0.00 5.04 -1.26 -1.48 117.35 118.25 1jyo s TYR 84 Ca 0.26 -1.00 -0.14 0.00 -2.44 0.00 0.00 57.07 53.74 1jyo s TYR 84 Cb 0.06 -1.79 0.12 0.00 0.35 0.00 0.00 41.96 40.70 1jyo s TYR 84 CO 0.06 -0.41 0.45 0.42 -1.34 0.00 0.00 175.55 174.73 1jyo s ILE 85 N 0.51 5.00 0.15 3.14 -1.09 -0.46 -4.97 121.20 123.48 1jyo s ILE 85 Ca -0.13 -1.50 -0.18 0.00 -2.23 0.00 0.00 60.65 56.61 1jyo s ILE 85 Cb -0.17 -4.19 0.03 0.00 -1.58 0.00 0.00 42.46 36.56 1jyo s ILE 85 CO 0.05 -0.81 1.69 -0.78 -1.23 0.00 0.00 174.94 173.86 1jyo h ASP 86 N 8.78 -0.24 0.02 3.58 3.58 -1.97 0.17 116.42 130.34 1jyo h ASP 86 Ca -0.28 0.09 -0.00 0.00 0.42 0.00 0.00 57.03 57.25 1jyo h ASP 86 Cb 1.10 0.17 -0.00 0.00 1.72 0.00 0.00 39.33 42.32 1jyo h ASP 86 CO 0.98 -0.08 -0.01 0.00 -2.88 0.00 0.00 179.24 177.25 1jyo h ALA 87 N 1.29 1.54 -0.01 -0.78 0.00 -1.98 -2.24 119.26 117.10 1jyo h ALA 87 Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1jyo h ALA 87 Cb 0.22 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1jyo h ALA 87 CO -0.29 0.01 -0.61 0.00 0.00 0.00 0.00 179.25 178.35 1jyo n ALA 88 N -2.33 3.80 -3.94 0.00 0.00 -0.82 -4.99 120.51 112.23 1jyo n ALA 88 Ca -0.03 -0.51 -0.26 0.00 0.00 0.00 0.00 53.44 52.64 1jyo n ALA 88 Cb 0.09 -0.61 -0.01 0.00 0.00 0.00 0.00 19.45 18.91 1jyo n ALA 88 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1jyo n GLU 89 N -0.86 -3.52 -4.36 0.00 1.02 0.53 -4.85 120.64 108.60 1jyo n GLU 89 Ca 0.05 0.43 -0.19 0.00 -0.02 0.00 0.00 57.16 57.43 1jyo n GLU 89 Cb 0.30 -4.66 -0.14 0.00 -0.02 0.00 0.00 31.44 26.92 1jyo n GLU 89 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1jyo s THR 90 N -3.87 0.84 -0.21 2.62 2.01 -1.10 0.05 115.64 115.99 1jyo s THR 90 Ca 0.07 -0.65 -0.12 0.00 0.31 0.00 0.00 61.69 61.30 1jyo s THR 90 Cb -0.04 -0.74 -0.05 0.00 0.01 0.00 0.00 72.50 71.68 1jyo s THR 90 CO 0.88 0.10 0.21 -0.22 -0.69 0.00 0.00 174.62 174.90 1jyo s LEU 91 N -0.62 4.17 0.10 4.42 2.96 -0.17 -1.35 118.68 128.19 1jyo s LEU 91 Ca 0.02 0.28 0.02 0.00 -0.22 0.00 0.00 54.13 54.23 1jyo s LEU 91 Cb -0.06 -2.21 -0.04 0.00 0.50 0.00 0.00 46.19 44.39 1jyo s LEU 91 CO 0.00 0.09 -0.08 -1.48 -1.32 0.00 0.00 176.35 173.56 1jyo s LEU 92 N 0.77 2.48 -0.15 -0.68 2.34 -0.55 -0.81 118.68 122.08 1jyo s LEU 92 Ca 0.11 -0.94 -0.09 0.00 0.06 0.00 0.00 54.13 53.27 1jyo s LEU 92 Cb -0.13 -0.15 -0.04 0.00 -0.56 0.00 0.00 46.19 45.31 1jyo s LEU 92 CO 0.03 -0.40 0.15 -0.22 -1.06 0.00 0.00 176.35 174.86 1jyo s LEU 93 N -2.85 4.32 -0.03 1.48 2.96 0.17 -0.97 118.68 123.76 1jyo s LEU 93 Ca 0.10 0.40 0.03 0.00 -0.22 0.00 0.00 54.13 54.44 1jyo s LEU 93 Cb 0.02 -2.11 -0.00 0.00 0.50 0.00 0.00 46.19 44.60 1jyo s LEU 93 CO -0.03 0.30 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.54 1jyo s ILE 94 N -0.41 1.13 -0.16 6.68 1.01 0.28 -0.42 121.20 129.30 1jyo s ILE 94 Ca 0.13 -0.55 -0.13 0.00 0.00 0.00 0.00 60.65 60.10 1jyo s ILE 94 Cb -0.12 -0.98 0.04 0.00 0.01 0.00 0.00 42.46 41.42 1jyo s ILE 94 CO 0.02 0.33 0.41 -2.28 0.00 0.00 0.00 174.94 173.42 1jyo s HIS 95 N 0.10 -0.49 -0.14 3.97 2.46 -0.44 -0.27 115.29 120.48 1jyo s HIS 95 Ca -0.03 1.15 -0.09 0.00 0.47 0.00 0.00 55.06 56.55 1jyo s HIS 95 Cb -0.10 0.18 -0.05 0.00 -0.13 0.00 0.00 32.58 32.49 1jyo s HIS 95 CO 0.01 -0.25 0.18 0.00 -2.47 0.00 0.00 174.74 172.22 1jyo s ALA 96 N 0.51 3.77 -0.31 1.58 0.00 -1.26 -0.45 121.76 125.60 1jyo s ALA 96 Ca -0.02 -0.59 -0.10 0.00 0.00 0.00 0.00 51.96 51.24 1jyo s ALA 96 Cb -0.04 -2.12 -0.01 0.00 0.00 0.00 0.00 23.12 20.95 1jyo s ALA 96 CO -0.03 0.41 0.17 0.42 0.00 0.00 0.00 175.76 176.73 1jyo s ILE 97 N -0.45 4.76 -0.32 0.00 1.01 0.28 -4.95 121.20 121.53 1jyo s ILE 97 Ca 0.14 -0.36 0.20 0.00 0.00 0.00 0.00 60.65 60.63 1jyo s ILE 97 Cb -0.12 -3.42 -0.29 0.00 0.01 0.00 0.00 42.46 38.64 1jyo s ILE 97 CO 0.03 0.06 0.58 0.35 0.00 0.00 0.00 174.94 175.96 1jyo n THR 98 N 5.01 0.00 -3.50 2.92 -2.24 -1.26 -1.83 114.28 113.37 1jyo n THR 98 Ca -0.14 -0.33 -0.42 0.00 -2.27 0.00 0.00 64.05 60.89 1jyo n THR 98 Cb 0.49 0.33 -0.08 0.00 -2.10 0.00 0.00 70.33 68.98 1jyo n THR 98 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1jyo s ASP 99 N -3.90 5.81 -0.28 3.42 -1.08 -1.26 -4.89 116.67 114.49 1jyo s ASP 99 Ca -0.03 -1.81 0.11 0.00 -0.52 0.00 0.00 52.55 50.31 1jyo s ASP 99 Cb 0.14 -2.06 0.57 0.00 -1.46 0.00 0.00 42.92 40.12 1jyo s ASP 99 CO 0.84 -0.70 1.56 0.18 0.52 0.00 0.00 175.17 177.57 1jyo n LEU 100 N 4.99 4.68 0.05 -1.34 4.77 -1.26 -4.63 117.00 124.26 1jyo n LEU 100 Ca -0.10 -3.43 0.12 0.00 -0.03 0.00 0.00 56.01 52.58 1jyo n LEU 100 Cb 0.41 -0.65 0.24 0.00 -2.33 0.00 0.00 43.42 41.09 1jyo n LEU 100 CO 0.45 0.98 0.47 0.35 -1.33 0.00 0.00 177.39 178.30 1jyo n THR 101 N -0.77 0.28 -3.73 -5.08 -2.24 -1.26 -4.82 114.28 96.65 1jyo n THR 101 Ca 0.34 -0.20 -0.25 0.00 -2.27 0.00 0.00 64.05 61.67 1jyo n THR 101 Cb 1.12 -0.12 -0.17 0.00 -2.10 0.00 0.00 70.33 69.06 1jyo n THR 101 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1jyo s ASN 102 N -3.91 2.10 0.15 3.42 3.84 -1.26 -5.06 114.94 114.22 1jyo s ASN 102 Ca 0.08 -0.39 -0.27 0.00 0.21 0.00 0.00 52.86 52.50 1jyo s ASN 102 Cb 0.15 -0.45 0.00 0.00 -0.55 0.00 0.00 41.25 40.39 1jyo s ASN 102 CO 0.69 -0.25 1.58 0.74 -2.79 0.00 0.00 177.10 177.07 1jyo h THR 103 N 6.41 0.14 0.00 -5.21 2.02 -1.97 -1.13 112.91 113.17 1jyo h THR 103 Ca -0.17 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 66.97 1jyo h THR 103 Cb 1.13 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 1jyo h THR 103 CO 0.28 0.00 -0.18 1.88 0.37 0.00 0.00 175.52 177.87 1jyo h TYR 104 N -0.34 0.00 -0.16 3.16 -1.99 -1.98 -1.59 116.97 114.06 1jyo h TYR 104 Ca 0.13 0.00 -0.15 0.00 2.00 0.00 0.00 58.73 60.71 1jyo h TYR 104 Cb 0.58 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.30 1jyo h TYR 104 CO -0.58 0.18 -0.53 1.25 -0.00 0.00 0.00 178.16 178.48 1jyo h HIS 105 N 0.00 0.58 -0.38 4.88 2.76 -1.70 -0.81 115.15 120.48 1jyo h HIS 105 Ca -0.00 -0.20 -0.15 0.00 -2.20 0.00 0.00 60.37 57.82 1jyo h HIS 105 Cb 0.47 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 29.31 1jyo h HIS 105 CO 0.00 0.90 -0.35 0.82 -1.30 0.00 0.00 177.93 178.00 1jyo h ILE 106 N 0.36 1.27 -0.90 6.26 2.04 -0.55 -1.94 117.51 124.06 1jyo h ILE 106 Ca 0.01 -1.52 0.00 0.00 1.00 0.00 0.00 64.86 64.35 1jyo h ILE 106 Cb 1.05 1.35 -0.04 0.00 -0.74 0.00 0.00 36.82 38.44 1jyo h ILE 106 CO 0.10 0.51 0.58 0.40 0.00 0.00 0.00 178.15 179.73 1jyo h ILE 107 N 0.73 1.24 -0.64 -0.67 1.08 -1.05 0.81 117.51 119.01 1jyo h ILE 107 Ca 0.07 -0.46 -0.01 0.00 -0.39 0.00 0.00 64.86 64.07 1jyo h ILE 107 Cb 0.93 -0.07 -0.03 0.00 -3.07 0.00 0.00 36.82 34.58 1jyo h ILE 107 CO 0.09 0.23 0.37 -1.28 -0.69 0.00 0.00 178.15 176.87 1jyo h SER 108 N 1.22 0.78 -0.08 1.72 0.87 -0.81 0.49 113.55 117.75 1jyo h SER 108 Ca 0.33 -0.08 -0.13 0.00 -1.23 0.00 0.00 61.79 60.68 1jyo h SER 108 Cb -0.11 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 61.64 1jyo h SER 108 CO -0.07 0.63 -0.39 1.56 -0.53 0.00 0.00 176.83 178.03 1jyo h GLN 109 N 0.87 0.60 -0.54 2.24 4.20 -0.73 -1.99 115.11 119.76 1jyo h GLN 109 Ca 0.23 -0.30 -0.11 0.00 0.06 0.00 0.00 58.65 58.53 1jyo h GLN 109 Cb 0.01 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 1jyo h GLN 109 CO -0.04 0.89 -0.09 -0.07 -0.67 0.00 0.00 178.83 178.85 1jyo h LEU 110 N 0.50 1.02 0.16 1.46 3.38 -0.49 -2.31 115.31 119.03 1jyo h LEU 110 Ca 0.04 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 1jyo h LEU 110 Cb 0.89 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1jyo h LEU 110 CO 0.08 1.12 -0.08 -0.08 0.09 0.00 0.00 178.44 179.57 1jyo h GLU 111 N 0.90 -0.21 -0.55 1.13 4.81 -0.68 -1.47 114.58 118.51 1jyo h GLU 111 Ca 0.14 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.40 1jyo h GLU 111 Cb 0.66 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.06 1jyo h GLU 111 CO 0.05 -0.14 0.36 0.77 -0.73 0.00 0.00 179.01 179.32 1jyo h SER 112 N -0.22 0.61 -0.00 1.04 0.02 -1.32 -1.29 113.55 112.39 1jyo h SER 112 Ca -0.02 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.91 1jyo h SER 112 Cb 0.17 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.56 1jyo h SER 112 CO 0.03 0.44 -0.00 0.15 -1.14 0.00 0.00 176.83 176.31 1jyo h PHE 113 N 0.72 0.01 -0.77 3.45 3.57 -1.13 -0.71 116.94 122.08 1jyo h PHE 113 Ca 0.20 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.69 1jyo h PHE 113 Cb -0.05 -0.00 -0.04 0.00 2.79 0.00 0.00 35.95 38.65 1jyo h PHE 113 CO -0.00 0.31 0.44 0.28 -2.23 0.00 0.00 178.31 177.12 1jyo h VAL 114 N -0.30 1.22 -0.23 1.41 2.07 -0.98 0.91 116.25 120.35 1jyo h VAL 114 Ca 0.00 -0.52 -0.13 0.00 0.82 0.00 0.00 66.70 66.87 1jyo h VAL 114 Cb 0.31 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 1jyo h VAL 114 CO 0.00 0.24 -0.40 0.78 0.02 0.00 0.00 177.57 178.21 1jyo h ASN 115 N 1.07 0.58 -0.35 0.57 2.35 -1.17 -0.83 115.58 117.80 1jyo h ASN 115 Ca 0.27 -0.25 -0.10 0.00 -0.55 0.00 0.00 56.30 55.67 1jyo h ASN 115 Cb -0.01 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 1jyo h ASN 115 CO -0.05 0.91 -0.19 -0.61 -1.65 0.00 0.00 177.43 175.85 1jyo h GLN 116 N 0.45 0.74 -0.66 0.81 5.75 -0.54 -0.82 115.11 120.85 1jyo h GLN 116 Ca 0.04 -0.33 0.01 0.00 -0.15 0.00 0.00 58.65 58.22 1jyo h GLN 116 Cb 0.89 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 29.39 1jyo h GLN 116 CO 0.08 0.95 0.43 0.37 -2.65 0.00 0.00 178.83 178.01 1jyo h GLN 117 N 0.53 0.86 -0.45 1.69 4.15 -0.67 -0.11 115.11 121.10 1jyo h GLN 117 Ca 0.08 -0.05 -0.05 0.00 0.77 0.00 0.00 58.65 59.39 1jyo h GLN 117 Cb 0.73 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 28.21 1jyo h GLN 117 CO 0.05 0.57 0.08 1.49 -1.93 0.00 0.00 178.83 179.10 1jyo h GLU 118 N 0.88 0.73 -0.74 1.69 4.81 -0.98 -1.50 114.58 119.48 1jyo h GLU 118 Ca 0.24 -0.19 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 1jyo h GLU 118 Cb -0.09 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.17 1jyo h GLU 118 CO -0.06 0.75 0.37 0.00 -0.73 0.00 0.00 179.01 179.34 1jyo h ALA 119 N 0.95 0.95 -0.34 2.92 0.00 -0.74 -2.00 119.26 121.01 1jyo h ALA 119 Ca 0.14 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 1jyo h ALA 119 Cb 0.36 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1jyo h ALA 119 CO 0.01 0.50 -0.33 -0.07 0.00 0.00 0.00 179.25 179.36 1jyo h LEU 120 N 1.03 0.78 -0.85 0.00 3.38 -0.88 -2.01 115.31 116.77 1jyo h LEU 120 Ca 0.26 -0.33 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 1jyo h LEU 120 Cb 0.09 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 1jyo h LEU 120 CO -0.04 1.05 0.36 0.11 0.09 0.00 0.00 178.44 180.02 1jyo h LYS 121 N 0.63 1.20 -0.64 1.13 1.57 -1.05 -0.50 116.57 118.91 1jyo h LYS 121 Ca 0.07 -0.20 -0.08 0.00 -1.87 0.00 0.00 60.65 58.57 1jyo h LYS 121 Cb 0.86 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.94 1jyo h LYS 121 CO 0.08 0.95 0.09 -0.91 -0.57 0.00 0.00 179.45 179.09 1jyo h ASN 122 N 1.18 1.01 0.00 0.86 -0.26 -1.15 0.71 115.58 117.93 1jyo h ASN 122 Ca 0.28 -0.24 -0.19 0.00 -0.56 0.00 0.00 56.30 55.59 1jyo h ASN 122 Cb 0.17 -0.27 -0.00 0.00 -1.06 0.00 0.00 38.32 37.16 1jyo h ASN 122 CO -0.03 1.01 -0.67 0.40 -1.06 0.00 0.00 177.43 177.08 1jyo h ILE 123 N 0.99 1.32 -0.07 2.81 2.04 -0.94 -3.33 117.51 120.32 1jyo h ILE 123 Ca 0.19 -1.94 0.00 0.00 1.00 0.00 0.00 64.86 64.12 1jyo h ILE 123 Cb 0.44 1.91 0.00 0.00 -0.74 0.00 0.00 36.82 38.42 1jyo h ILE 123 CO 0.01 0.60 0.00 0.18 0.00 0.00 0.00 178.15 178.95 1jyo n LEU 124 N -3.92 2.76 -0.30 1.44 4.77 -0.24 -4.62 117.00 116.88 1jyo n LEU 124 Ca -0.05 -1.08 0.12 0.00 -0.03 0.00 0.00 56.01 54.97 1jyo n LEU 124 Cb 0.68 -0.03 0.29 0.00 -2.33 0.00 0.00 43.42 42.03 1jyo n LEU 124 CO 0.49 0.50 1.05 -0.61 -1.33 0.00 0.00 177.39 177.49 1jyo h GLN 125 N 3.93 0.42 0.00 3.23 5.75 -0.97 -0.13 115.11 127.34 1jyo h GLN 125 Ca 0.00 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.47 1jyo h GLN 125 Cb 0.85 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 29.30 1jyo h GLN 125 CO 0.00 0.28 0.02 1.05 -2.65 0.00 0.00 178.83 177.53 1jyo h GLU 126 N 0.43 0.00 -0.02 1.69 4.11 -1.86 -1.16 114.58 117.77 1jyo h GLU 126 Ca 0.54 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.97 1jyo h GLU 126 Cb 0.99 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.24 1jyo h GLU 126 CO -0.50 0.00 -0.30 0.66 0.07 0.00 0.00 179.01 178.94 1jyo n TYR 127 N -2.28 0.00 -1.86 2.06 0.53 -0.06 -4.97 117.16 110.58 1jyo n TYR 127 Ca -0.01 0.00 -0.40 0.00 -1.02 0.00 0.00 57.90 56.47 1jyo n TYR 127 Cb 0.06 -0.02 0.01 0.00 -1.03 0.00 0.00 39.34 38.35 1jyo n TYR 127 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1jyo s ALA 128 N -2.34 3.30 0.33 -0.72 0.00 -0.44 -4.72 121.76 117.18 1jyo s ALA 128 Ca 0.23 1.43 -0.28 0.00 0.00 0.00 0.00 51.96 53.34 1jyo s ALA 128 Cb 0.19 -3.57 -0.13 0.00 0.00 0.00 0.00 23.12 19.61 1jyo s ALA 128 CO 0.48 -1.08 1.13 1.63 0.00 0.00 0.00 175.76 177.93 1jyo n LYS 129 N 0.00 1.69 0.00 0.00 5.02 -0.86 -5.02 118.16 118.99 1jyo n LYS 129 Ca 0.04 0.59 0.14 0.00 -2.02 0.00 0.00 58.31 57.06 1jyo n LYS 129 Cb 0.42 -2.08 0.53 0.00 -0.02 0.00 0.00 35.03 33.88 1jyo n LYS 129 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16