#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 1.16 -0.70 1.96 5.75 -2.04 0.19 115.11 121.42 1jyo h GLN 2 Ca 0.00 -0.07 -0.05 0.00 -0.15 0.00 0.00 58.65 58.38 1jyo h GLN 2 Cb 0.00 -0.26 -0.03 0.00 1.07 0.00 0.00 27.48 28.26 1jyo h GLN 2 CO 0.00 0.77 0.25 0.00 -2.65 0.00 0.00 178.83 177.19 1jyo h ALA 3 N 1.36 0.92 -0.74 3.38 0.00 -2.04 0.07 119.26 122.22 1jyo h ALA 3 Ca 0.35 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1jyo h ALA 3 Cb -0.06 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.42 1jyo h ALA 3 CO -0.10 0.57 0.34 0.45 0.00 0.00 0.00 179.25 180.52 1jyo h HIS 4 N 1.02 1.07 -0.79 0.00 3.86 -1.70 -1.92 115.15 116.70 1jyo h HIS 4 Ca 0.23 -0.06 -0.04 0.00 -1.16 0.00 0.00 60.37 59.35 1jyo h HIS 4 Cb 0.26 -0.33 -0.04 0.00 1.06 0.00 0.00 27.41 28.37 1jyo h HIS 4 CO 0.02 0.80 0.35 1.96 0.86 0.00 0.00 177.93 181.91 1jyo h GLN 5 N 1.04 1.15 -0.56 2.45 1.08 0.06 -1.65 115.11 118.67 1jyo h GLN 5 Ca 0.25 -0.18 -0.06 0.00 -1.45 0.00 0.00 58.65 57.20 1jyo h GLN 5 Cb 0.14 -0.20 -0.02 0.00 -0.05 0.00 0.00 27.48 27.35 1jyo h GLN 5 CO -0.03 0.90 0.10 -0.44 -0.95 0.00 0.00 178.83 178.41 1jyo h ASP 6 N 1.13 0.88 0.28 1.46 3.32 -0.59 -1.33 116.42 121.57 1jyo h ASP 6 Ca 0.27 -0.26 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 1jyo h ASP 6 Cb 0.16 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.48 1jyo h ASP 6 CO -0.03 0.91 -0.13 0.40 -1.72 0.00 0.00 179.24 178.67 1jyo h ILE 7 N 0.81 0.76 0.00 0.35 2.04 -1.08 -1.74 117.51 118.66 1jyo h ILE 7 Ca 0.17 -0.26 -0.03 0.00 1.00 0.00 0.00 64.86 65.74 1jyo h ILE 7 Cb 0.40 0.91 -0.00 0.00 -0.74 0.00 0.00 36.82 37.39 1jyo h ILE 7 CO 0.01 0.06 -0.14 -0.29 0.00 0.00 0.00 178.15 177.79 1jyo h ILE 8 N -0.51 0.78 -0.46 -0.67 2.10 -1.28 -1.18 117.51 116.29 1jyo h ILE 8 Ca -0.04 -0.54 -0.13 0.00 1.08 0.00 0.00 64.86 65.23 1jyo h ILE 8 Cb 0.38 1.32 -0.01 0.00 -1.09 0.00 0.00 36.82 37.42 1jyo h ILE 8 CO 0.06 0.14 -0.21 0.00 -1.08 0.00 0.00 178.15 177.05 1jyo h ALA 9 N 1.86 0.64 -0.78 0.18 0.00 -0.99 -1.27 119.26 118.90 1jyo h ALA 9 Ca -0.00 -0.39 0.01 0.00 0.00 0.00 0.00 54.91 54.53 1jyo h ALA 9 Cb 0.31 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1jyo h ALA 9 CO 0.02 0.63 0.52 -0.91 0.00 0.00 0.00 179.25 179.50 1jyo h ASN 10 N 0.80 0.89 -0.51 0.00 2.35 -0.31 -2.01 115.58 116.78 1jyo h ASN 10 Ca 0.10 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.81 1jyo h ASN 10 Cb 0.79 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.92 1jyo h ASN 10 CO 0.07 0.64 0.25 0.40 -1.65 0.00 0.00 177.43 177.13 1jyo h ILE 11 N 1.05 1.19 -0.74 2.81 2.04 -1.13 -2.58 117.51 120.15 1jyo h ILE 11 Ca 0.29 -0.55 0.08 0.00 1.00 0.00 0.00 64.86 65.68 1jyo h ILE 11 Cb -0.10 0.62 -0.06 0.00 -0.74 0.00 0.00 36.82 36.53 1jyo h ILE 11 CO -0.07 0.22 0.41 1.23 0.00 0.00 0.00 178.15 179.94 1jyo h GLY 12 N 0.68 1.12 0.79 5.37 0.00 -0.61 -1.25 103.07 109.17 1jyo h GLY 12 Ca 0.17 -0.28 0.05 0.00 0.00 0.00 0.00 47.33 47.27 1jyo h GLY 12 CO -0.02 0.14 0.53 0.83 0.00 0.00 0.00 176.54 178.02 1jyo h GLU 13 N 0.73 0.97 -0.46 4.80 5.08 -1.00 0.29 114.58 124.99 1jyo h GLU 13 Ca 0.35 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.57 1jyo h GLU 13 Cb 0.27 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1jyo h GLU 13 CO -0.22 0.64 -0.02 0.87 -1.00 0.00 0.00 179.01 179.28 1jyo h LYS 14 N 1.00 0.76 -0.01 2.33 1.79 -0.99 -2.89 116.57 118.57 1jyo h LYS 14 Ca 0.36 -0.21 0.00 0.00 -2.18 0.00 0.00 60.65 58.61 1jyo h LYS 14 Cb 0.10 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 30.66 1jyo h LYS 14 CO -0.15 0.79 -0.12 1.28 -1.08 0.00 0.00 179.45 180.17 1jyo n LEU 15 N -4.21 1.59 -0.10 2.94 4.77 -0.59 -4.96 117.00 116.44 1jyo n LEU 15 Ca 0.02 -0.51 -0.01 0.00 -0.03 0.00 0.00 56.01 55.48 1jyo n LEU 15 Cb 0.31 -0.04 -0.00 0.00 -2.33 0.00 0.00 43.42 41.36 1jyo n LEU 15 CO 0.42 0.27 -0.01 0.61 -1.33 0.00 0.00 177.39 177.35 1jyo n GLY 16 N 1.27 0.42 2.95 -0.72 0.00 0.82 -5.06 105.19 104.88 1jyo n GLY 16 Ca 0.15 -0.98 -0.12 0.00 0.00 0.00 0.00 46.02 45.07 1jyo n GLY 16 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jyo s LEU 17 N -0.27 2.10 -1.16 0.99 1.02 -0.03 -5.00 118.68 116.32 1jyo s LEU 17 Ca 0.00 -0.24 -0.20 0.00 0.02 0.00 0.00 54.13 53.71 1jyo s LEU 17 Cb 0.00 -0.07 0.07 0.00 0.02 0.00 0.00 46.19 46.21 1jyo s LEU 17 CO 0.00 -0.09 1.59 -2.16 0.02 0.00 0.00 176.35 175.70 1jyo s PRO 18 N -0.65 3.81 0.38 1.29 0.04 -1.26 -3.84 135.00 134.77 1jyo s PRO 18 Ca -0.05 -1.63 -0.20 0.00 0.04 0.00 0.00 61.00 59.16 1jyo s PRO 18 Cb -0.05 -5.43 -0.10 0.00 0.04 0.00 0.00 34.50 28.96 1jyo s PRO 18 CO -0.00 -2.21 0.88 -0.51 0.04 0.00 0.00 177.00 175.20 1jyo s LEU 19 N 4.43 4.03 0.14 -3.56 1.43 -1.26 -5.07 118.68 118.82 1jyo s LEU 19 Ca 0.50 1.58 -0.22 0.00 -1.03 0.00 0.00 54.13 54.95 1jyo s LEU 19 Cb 0.02 -4.32 0.06 0.00 0.03 0.00 0.00 46.19 41.98 1jyo s LEU 19 CO -0.01 -0.27 0.57 0.28 0.23 0.00 0.00 176.35 177.16 1jyo s THR 20 N -2.04 0.01 -0.08 5.49 -1.32 -1.26 -4.13 115.64 112.31 1jyo s THR 20 Ca 0.58 -0.09 -0.18 0.00 -1.21 0.00 0.00 61.69 60.80 1jyo s THR 20 Cb -0.11 -1.02 -0.05 0.00 -1.51 0.00 0.00 72.50 69.81 1jyo s THR 20 CO 0.16 -0.05 0.47 -0.36 -2.21 0.00 0.00 174.62 172.63 1jyo s PHE 21 N -3.61 3.58 0.00 9.09 0.40 -1.26 -4.42 117.98 121.76 1jyo s PHE 21 Ca 0.01 0.94 0.00 0.00 -0.60 0.00 0.00 56.93 57.27 1jyo s PHE 21 Cb -0.01 -2.50 0.00 0.00 0.51 0.00 0.00 43.02 41.03 1jyo s PHE 21 CO -0.12 0.29 0.00 -0.40 0.70 0.00 0.00 175.22 175.70 1jyo n ASP 22 N 3.17 0.00 0.30 1.36 5.68 0.39 -4.78 116.55 122.66 1jyo n ASP 22 Ca -0.09 -0.44 0.18 0.00 -0.50 0.00 0.00 54.79 53.94 1jyo n ASP 22 Cb 0.52 0.00 0.92 0.00 -1.14 0.00 0.00 41.12 41.41 1jyo n ASP 22 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1jyo h ASP 23 N 0.00 0.00 -0.59 -1.12 3.32 -1.98 -1.21 116.42 114.83 1jyo h ASP 23 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1jyo h ASP 23 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1jyo h ASP 23 CO 0.00 0.04 0.00 0.59 -1.72 0.00 0.00 179.24 178.15 1jyo n ASN 24 N -3.30 5.37 -2.38 6.45 3.02 -1.26 -4.91 115.26 118.25 1jyo n ASN 24 Ca -0.02 -2.76 -0.20 0.00 -0.03 0.00 0.00 54.58 51.57 1jyo n ASN 24 Cb 0.18 -0.65 0.00 0.00 -0.61 0.00 0.00 39.78 38.70 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 0.79 -5.67 -4.28 6.41 3.02 -0.46 -4.92 115.26 110.15 1jyo n ASN 25 Ca 0.27 -0.08 -0.21 0.00 -0.03 0.00 0.00 54.58 54.53 1jyo n ASN 25 Cb 1.09 -4.65 -0.12 0.00 -0.61 0.00 0.00 39.78 35.49 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 -5.14 1.12 -0.22 3.52 -0.21 -1.26 -1.81 119.66 115.65 1jyo s GLN 26 Ca 0.07 -1.25 0.01 0.00 0.02 0.00 0.00 55.36 54.22 1jyo s GLN 26 Cb -0.03 -1.18 0.05 0.00 1.00 0.00 0.00 33.01 32.85 1jyo s GLN 26 CO 0.09 0.25 -0.09 0.00 -2.12 0.00 0.00 175.29 173.42 1jyo s LEU 28 N 1.36 4.20 0.10 0.00 1.43 -1.26 -0.93 118.68 123.57 1jyo s LEU 28 Ca -0.04 0.41 0.07 0.00 -1.03 0.00 0.00 54.13 53.54 1jyo s LEU 28 Cb -0.18 -2.32 -0.03 0.00 0.03 0.00 0.00 46.19 43.69 1jyo s LEU 28 CO -0.07 0.07 -0.19 -0.76 0.23 0.00 0.00 176.35 175.63 1jyo s LEU 29 N 0.71 2.30 -0.20 1.79 1.43 -0.02 -5.02 118.68 119.66 1jyo s LEU 29 Ca 0.14 -0.67 0.01 0.00 -1.03 0.00 0.00 54.13 52.58 1jyo s LEU 29 Cb -0.13 -0.80 0.04 0.00 0.03 0.00 0.00 46.19 45.33 1jyo s LEU 29 CO 0.04 0.03 -0.12 -0.22 0.23 0.00 0.00 176.35 176.30 1jyo s LEU 30 N -1.87 2.38 -0.14 1.79 2.96 -1.26 -2.04 118.68 120.49 1jyo s LEU 30 Ca 0.05 -0.89 -0.04 0.00 -0.22 0.00 0.00 54.13 53.03 1jyo s LEU 30 Cb -0.10 -1.32 -0.03 0.00 0.50 0.00 0.00 46.19 45.24 1jyo s LEU 30 CO 0.04 -0.12 -0.01 -0.76 -1.32 0.00 0.00 176.35 174.18 1jyo s LEU 31 N 1.34 3.41 -0.99 -0.68 1.43 0.06 -4.46 118.68 118.79 1jyo s LEU 31 Ca -0.01 -0.04 -0.04 0.00 -1.03 0.00 0.00 54.13 53.02 1jyo s LEU 31 Cb -0.16 -1.82 0.03 0.00 0.03 0.00 0.00 46.19 44.28 1jyo s LEU 31 CO -0.09 0.22 0.19 0.47 0.23 0.00 0.00 176.35 177.37 1jyo n ASP 32 N 3.21 -3.33 -3.12 2.29 8.00 -1.26 -1.79 116.55 120.55 1jyo n ASP 32 Ca -0.17 -0.00 -0.18 0.00 0.71 0.00 0.00 54.79 55.14 1jyo n ASP 32 Cb 0.53 -2.82 -0.01 0.00 -0.02 0.00 0.00 41.12 38.79 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 -1.95 -3.05 0.00 -2.24 3.41 -1.26 -4.62 113.62 103.91 1jyo n SER 33 Ca -0.07 -0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.36 1jyo n SER 33 Cb 0.56 -2.58 0.00 0.00 -0.26 0.00 0.00 64.21 61.93 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 -2.05 0.00 -4.27 4.04 -0.08 -0.82 -5.09 116.55 108.27 1jyo n ASP 34 Ca -0.03 0.00 -0.35 0.00 -1.51 0.00 0.00 54.79 52.91 1jyo n ASP 34 Cb 0.54 0.00 -0.14 0.00 2.34 0.00 0.00 41.12 43.86 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 3.17 -0.27 5.18 1.01 -0.74 -4.99 121.20 124.56 1jyo s ILE 35 Ca 0.00 -0.62 -0.12 0.00 0.00 0.00 0.00 60.65 59.91 1jyo s ILE 35 Cb 0.00 -2.46 -0.05 0.00 0.01 0.00 0.00 42.46 39.97 1jyo s ILE 35 CO 0.00 0.40 0.24 0.12 0.00 0.00 0.00 174.94 175.70 1jyo s PHE 36 N 1.44 3.24 -0.03 3.97 5.36 -1.26 -0.76 117.98 129.94 1jyo s PHE 36 Ca 0.05 0.22 0.01 0.00 -0.96 0.00 0.00 56.93 56.25 1jyo s PHE 36 Cb -0.14 -2.43 0.02 0.00 -0.34 0.00 0.00 43.02 40.12 1jyo s PHE 36 CO -0.04 -0.16 -0.04 0.99 -1.46 0.00 0.00 175.22 174.50 1jyo s THR 37 N 1.78 0.47 0.12 0.12 2.01 -0.87 -2.62 115.64 116.65 1jyo s THR 37 Ca 0.09 -0.13 0.09 0.00 0.31 0.00 0.00 61.69 62.05 1jyo s THR 37 Cb -0.16 -0.48 -0.04 0.00 0.01 0.00 0.00 72.50 71.84 1jyo s THR 37 CO 0.10 0.19 -0.22 -0.94 -0.69 0.00 0.00 174.62 173.06 1jyo s SER 38 N 0.64 2.77 -0.11 3.53 1.04 -0.31 -0.84 113.70 120.43 1jyo s SER 38 Ca -0.08 -0.73 0.03 0.00 0.48 0.00 0.00 55.95 55.65 1jyo s SER 38 Cb -0.11 -0.16 0.01 0.00 0.10 0.00 0.00 66.02 65.85 1jyo s SER 38 CO -0.00 0.08 -0.19 -0.63 0.98 0.00 0.00 173.24 173.47 1jyo s ILE 39 N -1.26 1.76 -0.14 -1.02 1.01 -0.11 -1.61 121.20 119.83 1jyo s ILE 39 Ca 0.10 -0.82 0.01 0.00 0.00 0.00 0.00 60.65 59.94 1jyo s ILE 39 Cb -0.09 -1.56 0.02 0.00 0.01 0.00 0.00 42.46 40.83 1jyo s ILE 39 CO 0.05 0.49 -0.16 -0.70 0.00 0.00 0.00 174.94 174.63 1jyo s GLU 40 N 0.70 2.42 -0.11 2.79 2.12 0.31 -0.51 118.70 126.42 1jyo s GLU 40 Ca -0.12 -0.62 -0.30 0.00 0.36 0.00 0.00 54.97 54.30 1jyo s GLU 40 Cb -0.16 -2.12 -0.02 0.00 0.26 0.00 0.00 34.13 32.09 1jyo s GLU 40 CO 0.02 -0.16 1.11 0.00 -0.54 0.00 0.00 175.26 175.70 1jyo s ALA 41 N 1.25 3.51 -0.29 6.30 0.00 -0.75 0.03 121.76 131.81 1jyo s ALA 41 Ca 0.00 0.45 -0.04 0.00 0.00 0.00 0.00 51.96 52.38 1jyo s ALA 41 Cb -0.14 -3.50 0.10 0.00 0.00 0.00 0.00 23.12 19.58 1jyo s ALA 41 CO -0.07 -0.79 0.13 0.21 0.00 0.00 0.00 175.76 175.23 1jyo s LYS 42 N 2.43 0.21 7.08 0.00 2.20 0.07 -4.92 119.74 126.82 1jyo s LYS 42 Ca 0.51 -0.56 0.00 0.00 -0.36 0.00 0.00 55.97 55.56 1jyo s LYS 42 Cb -0.21 -1.18 0.00 0.00 -1.51 0.00 0.00 37.83 34.94 1jyo s LYS 42 CO 0.17 -1.02 0.00 -0.25 -0.36 0.00 0.00 175.35 173.89 1jyo n ASP 43 N 5.22 0.00 0.00 1.43 8.00 -1.26 -1.62 116.55 128.32 1jyo n ASP 43 Ca -0.06 0.00 0.03 0.00 0.71 0.00 0.00 54.79 55.48 1jyo n ASP 43 Cb 0.42 0.00 0.18 0.00 -0.02 0.00 0.00 41.12 41.70 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 3.32 0.00 -4.25 -2.24 8.00 -1.26 -4.92 116.55 115.20 1jyo n ASP 44 Ca 0.00 -0.15 -0.25 0.00 0.71 0.00 0.00 54.79 55.10 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 -2.06 0.79 -0.09 0.53 -4.36 -0.64 -4.86 121.20 110.50 1jyo s ILE 45 Ca 0.09 -2.00 0.04 0.00 -0.26 0.00 0.00 60.65 58.52 1jyo s ILE 45 Cb 0.04 -2.45 -0.00 0.00 1.25 0.00 0.00 42.46 41.30 1jyo s ILE 45 CO 0.07 0.00 -0.22 0.26 0.24 0.00 0.00 174.94 175.29 1jyo s TRP 46 N -3.21 2.36 -0.23 1.37 0.52 -0.76 -0.75 118.94 118.24 1jyo s TRP 46 Ca 0.26 -0.91 -0.08 0.00 0.02 0.00 0.00 56.10 55.39 1jyo s TRP 46 Cb 0.04 -1.59 -0.04 0.00 -1.15 0.00 0.00 33.47 30.74 1jyo s TRP 46 CO 0.14 -0.36 0.09 -0.51 0.02 0.00 0.00 176.95 176.32 1jyo s LEU 47 N 0.29 3.67 -0.14 2.99 2.01 0.10 -0.40 118.68 127.20 1jyo s LEU 47 Ca -0.15 -0.07 -0.08 0.00 0.01 0.00 0.00 54.13 53.83 1jyo s LEU 47 Cb -0.17 -1.97 -0.04 0.00 0.01 0.00 0.00 46.19 44.02 1jyo s LEU 47 CO 0.07 0.04 0.14 -0.76 1.01 0.00 0.00 176.35 176.85 1jyo s LEU 48 N 1.19 4.34 -0.04 1.79 1.43 0.04 -0.53 118.68 126.91 1jyo s LEU 48 Ca 0.05 0.41 0.04 0.00 -1.03 0.00 0.00 54.13 53.60 1jyo s LEU 48 Cb -0.14 -2.08 -0.00 0.00 0.03 0.00 0.00 46.19 43.99 1jyo s LEU 48 CO 0.04 0.34 -0.15 0.20 0.23 0.00 0.00 176.35 177.01 1jyo s ASN 49 N -0.64 1.99 -0.14 2.29 -0.87 -0.63 -1.86 114.94 115.08 1jyo s ASN 49 Ca 0.13 -0.33 -0.03 0.00 -1.57 0.00 0.00 52.86 51.07 1jyo s ASN 49 Cb -0.12 -0.60 0.05 0.00 -0.02 0.00 0.00 41.25 40.56 1jyo s ASN 49 CO 0.02 0.13 0.04 -0.83 -2.57 0.00 0.00 177.10 173.89 1jyo s GLY 50 N 0.14 0.52 0.21 0.66 0.00 0.38 -1.16 107.32 108.07 1jyo s GLY 50 Ca -0.05 -0.37 -0.30 0.00 0.00 0.00 0.00 44.72 43.99 1jyo s GLY 50 CO 0.02 1.41 1.33 -0.29 0.00 0.00 0.00 173.10 175.57 1jyo s MET 51 N 1.98 4.37 0.00 2.90 1.75 -1.08 -1.16 119.30 128.06 1jyo s MET 51 Ca 0.02 2.09 0.00 0.00 -1.25 0.00 0.00 55.69 56.55 1jyo s MET 51 Cb -0.15 -3.18 0.00 0.00 2.84 0.00 0.00 34.83 34.34 1jyo s MET 51 CO -0.07 -0.27 0.00 -0.89 -0.65 0.00 0.00 175.02 173.14 1jyo n ILE 52 N 2.59 0.00 -3.66 10.11 -0.00 -0.77 -4.71 119.36 122.93 1jyo n ILE 52 Ca 0.06 0.45 -0.12 0.00 -0.00 0.00 0.00 62.75 63.14 1jyo n ILE 52 Cb 0.42 -1.45 -0.06 0.00 -0.00 0.00 0.00 39.64 38.56 1jyo n ILE 52 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.55 176.82 1jyo s ILE 53 N -0.92 0.06 0.16 1.39 -4.36 -1.23 -4.85 121.20 111.44 1jyo s ILE 53 Ca 0.00 -0.49 -0.30 0.00 -0.26 0.00 0.00 60.65 59.60 1jyo s ILE 53 Cb 0.00 -1.02 -0.07 0.00 1.25 0.00 0.00 42.46 42.62 1jyo s ILE 53 CO 0.00 -0.27 1.02 -2.16 0.24 0.00 0.00 174.94 173.77 1jyo s PRO 54 N -2.86 4.67 -0.02 0.37 0.04 -1.26 -1.17 135.00 134.76 1jyo s PRO 54 Ca -0.03 1.58 0.02 0.00 0.04 0.00 0.00 61.00 62.61 1jyo s PRO 54 Cb 0.00 -3.32 0.01 0.00 0.04 0.00 0.00 34.50 31.23 1jyo s PRO 54 CO -0.05 0.19 -0.06 -1.17 0.04 0.00 0.00 177.00 175.95 1jyo s LEU 55 N -0.32 1.71 0.30 -3.56 2.96 -0.17 -1.75 118.68 117.86 1jyo s LEU 55 Ca 0.47 -0.13 -0.30 0.00 -0.22 0.00 0.00 54.13 53.95 1jyo s LEU 55 Cb -0.26 -0.42 -0.11 0.00 0.50 0.00 0.00 46.19 45.90 1jyo s LEU 55 CO 0.32 0.03 1.51 -0.55 -1.32 0.00 0.00 176.35 176.34 1jyo s SER 56 N 0.31 6.47 0.03 3.68 0.15 -1.26 -4.47 113.70 118.62 1jyo s SER 56 Ca -0.04 2.87 0.13 0.00 0.70 0.00 0.00 55.95 59.61 1jyo s SER 56 Cb -0.08 -2.64 0.58 0.00 -1.71 0.00 0.00 66.02 62.17 1jyo s SER 56 CO 0.00 -0.82 1.43 -0.81 1.20 0.00 0.00 173.24 174.24 1jyo n PRO 57 N 1.85 0.02 -2.37 5.44 -0.04 -1.26 -2.35 135.00 136.28 1jyo n PRO 57 Ca 0.06 0.31 -0.20 0.00 -0.04 0.00 0.00 63.50 63.63 1jyo n PRO 57 Cb 0.39 -1.55 0.02 0.00 -0.04 0.00 0.00 33.50 32.32 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 -1.59 2.12 0.40 0.52 0.24 -1.26 -4.83 118.33 113.93 1jyo n VAL 58 Ca 0.03 -4.16 0.07 0.00 -2.04 0.00 0.00 64.34 58.23 1jyo n VAL 58 Cb 0.15 -0.64 0.30 0.00 -1.47 0.00 0.00 33.84 32.18 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 -0.25 1.06 0.23 0.00 0.00 -1.26 -4.54 105.19 100.42 1jyo n GLY 60 Ca 0.03 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.29 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 -0.06 -0.41 1.61 3.32 -1.99 -2.34 116.42 116.56 1jyo h ASP 61 Ca 0.00 0.12 0.07 0.00 0.02 0.00 0.00 57.03 57.24 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 -0.02 0.02 0.28 -1.72 0.00 0.00 179.24 177.81 1jyo h SER 62 N 0.22 -0.12 -0.13 6.45 0.02 -1.99 0.16 113.55 118.16 1jyo h SER 62 Ca 0.31 0.09 -0.08 0.00 -0.84 0.00 0.00 61.79 61.27 1jyo h SER 62 Cb 0.47 0.15 -0.00 0.00 0.14 0.00 0.00 62.40 63.16 1jyo h SER 62 CO -0.42 -0.02 -0.22 0.40 -1.14 0.00 0.00 176.83 175.42 1jyo h ILE 63 N 0.14 1.37 -0.08 3.27 2.04 -1.75 -1.94 117.51 120.55 1jyo h ILE 63 Ca 0.20 -1.47 0.02 0.00 1.00 0.00 0.00 64.86 64.61 1jyo h ILE 63 Cb 0.28 2.01 -0.02 0.00 -0.74 0.00 0.00 36.82 38.35 1jyo h ILE 63 CO -0.31 0.43 -0.03 -0.50 0.00 0.00 0.00 178.15 177.73 1jyo h TRP 64 N -0.02 -0.08 -0.89 1.37 -0.00 -1.24 -1.85 115.95 113.24 1jyo h TRP 64 Ca 0.01 0.01 0.00 0.00 -0.00 0.00 0.00 58.89 58.91 1jyo h TRP 64 Cb 0.80 0.05 -0.04 0.00 -0.00 0.00 0.00 29.16 29.96 1jyo h TRP 64 CO 0.10 -0.06 0.57 -0.09 -0.00 0.00 0.00 178.44 178.96 1jyo h ARG 65 N -0.03 1.18 -0.53 0.49 2.43 -0.73 -0.74 114.38 116.46 1jyo h ARG 65 Ca 0.04 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1jyo h ARG 65 Cb 0.09 -0.26 -0.03 0.00 -0.42 0.00 0.00 29.97 29.35 1jyo h ARG 65 CO -0.10 0.80 0.35 0.37 -1.51 0.00 0.00 179.97 179.88 1jyo h GLN 66 N 1.21 0.70 -0.41 0.20 4.15 -1.04 0.83 115.11 120.75 1jyo h GLN 66 Ca 0.32 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.68 1jyo h GLN 66 Cb -0.11 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.41 1jyo h GLN 66 CO -0.07 0.47 0.20 0.82 -1.93 0.00 0.00 178.83 178.32 1jyo h ILE 67 N 0.72 1.18 0.00 2.39 2.04 -0.92 -1.47 117.51 121.44 1jyo h ILE 67 Ca 0.19 -0.51 -0.06 0.00 1.00 0.00 0.00 64.86 65.49 1jyo h ILE 67 Cb -0.07 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 1jyo h ILE 67 CO -0.04 0.19 -0.29 0.24 0.00 0.00 0.00 178.15 178.25 1jyo h MET 68 N 0.53 0.00 -0.07 2.37 2.86 -0.74 -1.49 114.93 118.40 1jyo h MET 68 Ca 0.14 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.57 1jyo h MET 68 Cb 0.12 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.79 1jyo h MET 68 CO -0.02 0.29 -0.82 0.28 1.06 0.00 0.00 176.91 177.70 1jyo h VAL 69 N 0.00 1.36 -0.17 -2.22 2.07 -0.56 -2.98 116.25 113.75 1jyo h VAL 69 Ca -0.00 -2.20 -0.06 0.00 0.82 0.00 0.00 66.70 65.25 1jyo h VAL 69 Cb 0.58 2.19 -0.01 0.00 -1.52 0.00 0.00 31.29 32.53 1jyo h VAL 69 CO 0.04 0.67 -0.16 0.40 0.02 0.00 0.00 177.57 178.53 1jyo h ILE 70 N 0.33 1.21 -0.43 4.57 2.04 -0.65 -2.10 117.51 122.47 1jyo h ILE 70 Ca -0.06 -0.92 0.05 0.00 1.00 0.00 0.00 64.86 64.93 1jyo h ILE 70 Cb 1.43 1.26 -0.02 0.00 -0.74 0.00 0.00 36.82 38.75 1jyo h ILE 70 CO 0.15 0.29 0.29 0.78 0.00 0.00 0.00 178.15 179.66 1jyo h ASN 71 N 0.27 0.35 -0.74 1.72 2.35 -1.13 0.01 115.58 118.41 1jyo h ASN 71 Ca 0.05 -0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.74 1jyo h ASN 71 Cb 0.45 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 38.71 1jyo h ASN 71 CO 0.03 0.24 0.24 1.23 -1.65 0.00 0.00 177.43 177.51 1jyo h GLY 72 N 0.40 1.23 0.79 2.83 0.00 -1.40 -0.93 103.07 106.00 1jyo h GLY 72 Ca 0.18 -0.72 -0.04 0.00 0.00 0.00 0.00 47.33 46.75 1jyo h GLY 72 CO -0.04 0.68 -0.06 0.83 0.00 0.00 0.00 176.54 177.94 1jyo h GLU 73 N 1.10 0.36 -0.16 4.80 5.08 -1.04 -2.67 114.58 122.05 1jyo h GLU 73 Ca 0.24 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1jyo h GLU 73 Cb 0.30 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1jyo h GLU 73 CO -0.01 0.64 0.09 -0.07 -1.00 0.00 0.00 179.01 178.66 1jyo h LEU 74 N 0.07 0.20 -1.94 1.33 3.38 -1.05 -2.94 115.31 114.35 1jyo h LEU 74 Ca 0.04 -0.08 0.02 0.00 0.09 0.00 0.00 57.88 57.95 1jyo h LEU 74 Cb 0.51 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1jyo h LEU 74 CO 0.02 0.23 0.08 0.00 0.09 0.00 0.00 178.44 178.86 1jyo h ALA 75 N 0.98 2.01 -0.60 1.53 0.00 -1.19 -0.56 119.26 121.44 1jyo h ALA 75 Ca 0.06 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1jyo h ALA 75 Cb 0.07 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1jyo h ALA 75 CO -0.01 -0.03 0.28 0.00 0.00 0.00 0.00 179.25 179.49 1jyo h ALA 76 N 1.93 1.37 -0.29 0.00 0.00 -1.28 -2.63 119.26 118.36 1jyo h ALA 76 Ca 0.05 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1jyo h ALA 76 Cb 0.10 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1jyo h ALA 76 CO -0.01 0.49 0.00 0.09 0.00 0.00 0.00 179.25 179.82 1jyo n ASN 77 N -4.35 3.25 -3.88 0.00 3.02 -0.92 -4.98 115.26 107.40 1jyo n ASN 77 Ca 0.05 -2.44 -0.28 0.00 -0.03 0.00 0.00 54.58 51.88 1jyo n ASN 77 Cb 0.13 -0.35 0.02 0.00 -0.61 0.00 0.00 39.78 38.97 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 -0.00 -3.50 0.14 6.41 4.05 -0.43 -4.88 115.26 117.05 1jyo n ASN 78 Ca 0.15 -0.82 0.12 0.00 0.45 0.00 0.00 54.58 54.48 1jyo n ASN 78 Cb 0.61 -3.82 0.13 0.00 1.23 0.00 0.00 39.78 37.93 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 -1.99 0.00 0.00 1.20 4.39 -1.45 -3.49 114.58 113.23 1jyo h GLU 79 Ca -0.59 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.11 1jyo h GLU 79 Cb 1.37 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.02 1jyo h GLU 79 CO 0.65 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.91 1jyo n GLY 80 N 1.19 0.31 2.94 -3.84 0.00 -1.26 -4.81 105.19 99.72 1jyo n GLY 80 Ca 0.03 -1.74 -0.20 0.00 0.00 0.00 0.00 46.02 44.11 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 -2.11 0.61 -0.16 2.61 2.01 0.99 -4.03 115.64 115.56 1jyo s THR 81 Ca 0.00 -0.22 -0.19 0.00 0.31 0.00 0.00 61.69 61.58 1jyo s THR 81 Cb 0.00 -0.59 -0.03 0.00 0.01 0.00 0.00 72.50 71.89 1jyo s THR 81 CO 0.00 0.22 0.55 -0.76 -0.69 0.00 0.00 174.62 173.94 1jyo s LEU 82 N 0.52 4.21 0.15 4.42 1.43 -1.26 -0.64 118.68 127.51 1jyo s LEU 82 Ca -0.07 0.81 0.03 0.00 -1.03 0.00 0.00 54.13 53.86 1jyo s LEU 82 Cb -0.11 -2.78 -0.04 0.00 0.03 0.00 0.00 46.19 43.28 1jyo s LEU 82 CO 0.00 -0.13 -0.04 0.00 0.23 0.00 0.00 176.35 176.41 1jyo s ALA 83 N 1.27 1.30 -0.17 4.21 0.00 0.12 -4.96 121.76 123.52 1jyo s ALA 83 Ca 0.27 -1.51 -0.03 0.00 0.00 0.00 0.00 51.96 50.69 1jyo s ALA 83 Cb -0.16 0.31 -0.02 0.00 0.00 0.00 0.00 23.12 23.25 1jyo s ALA 83 CO 0.11 -0.23 -0.05 -0.47 0.00 0.00 0.00 175.76 175.11 1jyo s TYR 84 N -3.55 2.97 -0.51 0.00 5.04 -1.26 -0.37 117.35 119.66 1jyo s TYR 84 Ca 0.19 -0.54 -0.15 0.00 -2.44 0.00 0.00 57.07 54.13 1jyo s TYR 84 Cb 0.05 -1.99 0.11 0.00 0.35 0.00 0.00 41.96 40.48 1jyo s TYR 84 CO 0.01 -0.22 0.44 0.42 -1.34 0.00 0.00 175.55 174.85 1jyo s ILE 85 N 0.72 5.07 0.16 3.14 1.01 -0.65 -4.98 121.20 125.67 1jyo s ILE 85 Ca -0.02 -1.39 -0.22 0.00 0.00 0.00 0.00 60.65 59.02 1jyo s ILE 85 Cb -0.15 -4.18 0.05 0.00 0.01 0.00 0.00 42.46 38.20 1jyo s ILE 85 CO 0.02 -0.75 1.63 -0.78 0.00 0.00 0.00 174.94 175.06 1jyo h ASP 86 N 8.78 -0.79 0.07 3.58 3.58 -1.97 0.16 116.42 129.83 1jyo h ASP 86 Ca -0.28 0.15 -0.01 0.00 0.42 0.00 0.00 57.03 57.31 1jyo h ASP 86 Cb 1.10 0.38 -0.00 0.00 1.72 0.00 0.00 39.33 42.53 1jyo h ASP 86 CO 0.96 -0.27 -0.06 0.00 -2.88 0.00 0.00 179.24 176.99 1jyo h ALA 87 N 0.88 1.77 -0.01 -0.78 0.00 -1.98 -2.42 119.26 116.72 1jyo h ALA 87 Ca 0.16 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1jyo h ALA 87 Cb 0.46 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1jyo h ALA 87 CO -0.43 0.07 -0.67 0.00 0.00 0.00 0.00 179.25 178.22 1jyo n ALA 88 N -2.47 4.01 -4.03 0.00 0.00 -0.90 -4.98 120.51 112.14 1jyo n ALA 88 Ca -0.03 -0.62 -0.27 0.00 0.00 0.00 0.00 53.44 52.52 1jyo n ALA 88 Cb 0.14 -0.78 -0.03 0.00 0.00 0.00 0.00 19.45 18.78 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 -0.58 -2.91 -4.53 0.00 1.02 0.51 -4.88 120.64 109.27 1jyo n GLU 89 Ca 0.07 0.35 -0.21 0.00 -0.02 0.00 0.00 57.16 57.35 1jyo n GLU 89 Cb 0.41 -4.42 -0.15 0.00 -0.02 0.00 0.00 31.44 27.26 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 -3.98 1.01 -0.13 2.62 2.01 -1.13 -0.99 115.64 115.06 1jyo s THR 90 Ca 0.06 -0.62 -0.22 0.00 0.31 0.00 0.00 61.69 61.23 1jyo s THR 90 Cb -0.03 -0.86 -0.03 0.00 0.01 0.00 0.00 72.50 71.58 1jyo s THR 90 CO 0.91 0.23 0.64 -0.22 -0.69 0.00 0.00 174.62 175.49 1jyo s LEU 91 N -0.44 4.24 -0.01 4.42 2.96 -0.32 -1.64 118.68 127.90 1jyo s LEU 91 Ca 0.04 0.99 0.04 0.00 -0.22 0.00 0.00 54.13 54.99 1jyo s LEU 91 Cb -0.05 -2.95 -0.01 0.00 0.50 0.00 0.00 46.19 43.67 1jyo s LEU 91 CO -0.00 -0.16 -0.14 -0.22 -1.32 0.00 0.00 176.35 174.50 1jyo s LEU 92 N 1.23 2.04 -0.14 -0.68 2.96 0.50 -1.85 118.68 122.73 1jyo s LEU 92 Ca 0.32 -0.27 -0.11 0.00 -0.22 0.00 0.00 54.13 53.85 1jyo s LEU 92 Cb -0.16 -0.70 -0.05 0.00 0.50 0.00 0.00 46.19 45.77 1jyo s LEU 92 CO 0.14 0.16 0.21 -0.22 -1.32 0.00 0.00 176.35 175.32 1jyo s LEU 93 N -0.40 4.30 -0.00 -0.68 2.96 -0.31 0.14 118.68 124.69 1jyo s LEU 93 Ca 0.05 0.46 0.04 0.00 -0.22 0.00 0.00 54.13 54.46 1jyo s LEU 93 Cb -0.06 -2.22 -0.01 0.00 0.50 0.00 0.00 46.19 44.40 1jyo s LEU 93 CO -0.00 0.24 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.51 1jyo s ILE 94 N -0.16 0.93 -0.21 6.68 1.01 0.18 -0.47 121.20 129.17 1jyo s ILE 94 Ca 0.14 -0.57 -0.15 0.00 0.00 0.00 0.00 60.65 60.07 1jyo s ILE 94 Cb -0.12 -0.79 0.06 0.00 0.01 0.00 0.00 42.46 41.62 1jyo s ILE 94 CO 0.03 0.21 0.52 -2.28 0.00 0.00 0.00 174.94 173.42 1jyo s HIS 95 N -0.37 -0.69 -0.14 3.97 2.46 -0.78 -0.01 115.29 119.73 1jyo s HIS 95 Ca 0.04 1.52 -0.09 0.00 0.47 0.00 0.00 55.06 57.00 1jyo s HIS 95 Cb -0.05 0.31 -0.04 0.00 -0.13 0.00 0.00 32.58 32.66 1jyo s HIS 95 CO -0.00 -0.35 0.15 0.00 -2.47 0.00 0.00 174.74 172.07 1jyo s ALA 96 N 0.92 3.80 -0.32 1.58 0.00 -1.26 -0.78 121.76 125.70 1jyo s ALA 96 Ca -0.05 -0.63 -0.12 0.00 0.00 0.00 0.00 51.96 51.16 1jyo s ALA 96 Cb -0.06 -2.07 -0.02 0.00 0.00 0.00 0.00 23.12 20.98 1jyo s ALA 96 CO -0.08 0.44 0.21 0.42 0.00 0.00 0.00 175.76 176.76 1jyo s ILE 97 N -0.52 5.13 -0.34 0.00 1.01 0.46 -4.95 121.20 121.99 1jyo s ILE 97 Ca 0.13 -0.19 0.22 0.00 0.00 0.00 0.00 60.65 60.81 1jyo s ILE 97 Cb -0.12 -3.60 -0.26 0.00 0.01 0.00 0.00 42.46 38.49 1jyo s ILE 97 CO 0.02 0.05 0.69 0.35 0.00 0.00 0.00 174.94 176.06 1jyo n THR 98 N 5.07 0.07 -3.69 2.92 -2.24 -1.26 -1.83 114.28 113.31 1jyo n THR 98 Ca -0.13 -0.36 -0.38 0.00 -2.27 0.00 0.00 64.05 60.91 1jyo n THR 98 Cb 0.50 0.23 -0.10 0.00 -2.10 0.00 0.00 70.33 68.85 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 -4.16 5.43 -0.28 3.42 2.15 -1.26 -4.88 116.67 117.08 1jyo s ASP 99 Ca -0.02 -1.97 0.11 0.00 0.43 0.00 0.00 52.55 51.09 1jyo s ASP 99 Cb 0.14 -1.90 0.61 0.00 -0.30 0.00 0.00 42.92 41.47 1jyo s ASP 99 CO 0.88 -0.60 1.60 0.18 -0.17 0.00 0.00 175.17 177.06 1jyo n LEU 100 N 4.72 4.90 0.10 -1.34 4.77 -1.26 -4.64 117.00 124.26 1jyo n LEU 100 Ca -0.05 -3.36 0.12 0.00 -0.03 0.00 0.00 56.01 52.70 1jyo n LEU 100 Cb 0.41 -0.66 0.25 0.00 -2.33 0.00 0.00 43.42 41.09 1jyo n LEU 100 CO 0.37 0.92 0.61 0.71 -1.33 0.00 0.00 177.39 178.67 1jyo h THR 101 N 1.78 0.00 -3.28 -5.08 1.35 -2.01 -3.45 112.91 102.22 1jyo h THR 101 Ca 0.20 -0.60 -0.51 0.00 -0.55 0.00 0.00 66.41 64.95 1jyo h THR 101 Cb 1.91 1.40 -0.38 0.00 -1.73 0.00 0.00 68.15 69.35 1jyo h THR 101 CO 0.51 0.00 -0.78 0.21 -0.25 0.00 0.00 175.52 175.21 1jyo s ASN 102 N -4.72 2.49 0.15 5.36 3.84 -1.26 -5.05 114.94 115.75 1jyo s ASN 102 Ca 0.08 -0.53 -0.25 0.00 0.21 0.00 0.00 52.86 52.37 1jyo s ASN 102 Cb 0.11 -0.72 0.02 0.00 -0.55 0.00 0.00 41.25 40.11 1jyo s ASN 102 CO 0.67 -0.21 1.60 0.74 -2.79 0.00 0.00 177.10 177.11 1jyo h THR 103 N 6.38 0.22 0.00 -5.21 2.02 -1.97 -0.18 112.91 114.18 1jyo h THR 103 Ca -0.22 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 66.91 1jyo h THR 103 Cb 1.12 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.74 1jyo h THR 103 CO 0.35 0.00 -0.24 1.88 0.37 0.00 0.00 175.52 177.89 1jyo h TYR 104 N -0.32 0.00 -0.09 3.16 -1.99 -1.99 -1.55 116.97 114.19 1jyo h TYR 104 Ca 0.14 0.00 -0.16 0.00 2.00 0.00 0.00 58.73 60.71 1jyo h TYR 104 Cb 0.55 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.27 1jyo h TYR 104 CO -0.51 0.24 -0.62 1.25 -0.00 0.00 0.00 178.16 178.52 1jyo h HIS 105 N 0.00 0.43 -0.47 4.88 2.76 -1.69 -0.75 115.15 120.31 1jyo h HIS 105 Ca -0.00 -0.17 -0.08 0.00 -2.20 0.00 0.00 60.37 57.92 1jyo h HIS 105 Cb 0.54 -0.08 -0.02 0.00 1.55 0.00 0.00 27.41 29.41 1jyo h HIS 105 CO 0.00 0.86 -0.01 0.82 -1.30 0.00 0.00 177.93 178.30 1jyo h ILE 106 N 0.25 1.26 -0.49 6.26 2.04 -0.40 -1.63 117.51 124.80 1jyo h ILE 106 Ca -0.01 -1.08 0.04 0.00 1.00 0.00 0.00 64.86 64.81 1jyo h ILE 106 Cb 1.14 1.03 -0.04 0.00 -0.74 0.00 0.00 36.82 38.22 1jyo h ILE 106 CO 0.10 0.37 0.26 0.40 0.00 0.00 0.00 178.15 179.29 1jyo h ILE 107 N 0.68 0.99 -0.59 -0.67 1.08 -1.01 0.57 117.51 118.56 1jyo h ILE 107 Ca 0.13 -0.18 0.03 0.00 -0.39 0.00 0.00 64.86 64.46 1jyo h ILE 107 Cb 0.52 0.43 -0.04 0.00 -3.07 0.00 0.00 36.82 34.66 1jyo h ILE 107 CO 0.03 0.09 0.35 -1.28 -0.69 0.00 0.00 178.15 176.65 1jyo h SER 108 N 0.52 0.56 -0.57 1.72 0.87 -0.85 0.13 113.55 115.93 1jyo h SER 108 Ca 0.21 0.01 -0.08 0.00 -1.23 0.00 0.00 61.79 60.69 1jyo h SER 108 Cb 0.09 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 61.92 1jyo h SER 108 CO -0.13 0.39 0.04 1.56 -0.53 0.00 0.00 176.83 178.16 1jyo h GLN 109 N 0.69 1.01 -0.56 2.24 4.20 -0.55 -1.44 115.11 120.70 1jyo h GLN 109 Ca 0.24 -0.29 -0.09 0.00 0.06 0.00 0.00 58.65 58.58 1jyo h GLN 109 Cb 0.05 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 1jyo h GLN 109 CO -0.12 0.97 0.00 -0.07 -0.67 0.00 0.00 178.83 178.94 1jyo h LEU 110 N 0.94 0.96 -0.41 1.46 3.38 -0.27 -1.70 115.31 119.67 1jyo h LEU 110 Ca 0.18 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1jyo h LEU 110 Cb 0.49 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1jyo h LEU 110 CO 0.02 1.03 0.23 -0.08 0.09 0.00 0.00 178.44 179.73 1jyo h GLU 111 N 0.87 0.56 -0.66 1.13 4.81 -0.53 -1.41 114.58 119.36 1jyo h GLU 111 Ca 0.16 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.28 1jyo h GLU 111 Cb 0.54 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.77 1jyo h GLU 111 CO 0.03 0.45 0.21 0.77 -0.73 0.00 0.00 179.01 179.73 1jyo h SER 112 N 0.53 0.93 -0.12 1.04 0.02 -1.10 -1.18 113.55 113.67 1jyo h SER 112 Ca 0.14 -0.16 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 1jyo h SER 112 Cb 0.04 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.33 1jyo h SER 112 CO -0.02 0.87 0.04 0.15 -1.14 0.00 0.00 176.83 176.72 1jyo h PHE 113 N 0.97 0.19 -0.67 3.45 3.57 -1.04 -0.93 116.94 122.48 1jyo h PHE 113 Ca 0.22 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.70 1jyo h PHE 113 Cb 0.27 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.92 1jyo h PHE 113 CO 0.02 0.30 0.41 0.28 -2.23 0.00 0.00 178.31 177.10 1jyo h VAL 114 N 0.01 1.19 -0.42 1.41 2.07 -1.09 0.70 116.25 120.11 1jyo h VAL 114 Ca 0.04 -0.39 -0.07 0.00 0.82 0.00 0.00 66.70 67.09 1jyo h VAL 114 Cb 0.20 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.20 1jyo h VAL 114 CO -0.00 0.19 -0.03 0.78 0.02 0.00 0.00 177.57 178.53 1jyo h ASN 115 N 0.91 0.68 -0.41 0.57 2.35 -1.13 0.33 115.58 118.89 1jyo h ASN 115 Ca 0.24 -0.16 -0.11 0.00 -0.55 0.00 0.00 56.30 55.72 1jyo h ASN 115 Cb -0.05 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.13 1jyo h ASN 115 CO -0.05 0.77 -0.17 -0.61 -1.65 0.00 0.00 177.43 175.72 1jyo h GLN 116 N 0.66 0.83 -0.53 0.81 5.75 -0.72 -1.41 115.11 120.50 1jyo h GLN 116 Ca 0.13 -0.35 -0.01 0.00 -0.15 0.00 0.00 58.65 58.26 1jyo h GLN 116 Cb 0.46 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.95 1jyo h GLN 116 CO 0.02 0.98 0.28 0.37 -2.65 0.00 0.00 178.83 177.83 1jyo h GLN 117 N 0.64 0.75 -0.62 1.69 4.15 -0.41 -0.92 115.11 120.39 1jyo h GLN 117 Ca 0.09 -0.09 -0.06 0.00 0.77 0.00 0.00 58.65 59.36 1jyo h GLN 117 Cb 0.72 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 28.24 1jyo h GLN 117 CO 0.05 0.59 0.16 1.49 -1.93 0.00 0.00 178.83 179.19 1jyo h GLU 118 N 0.71 0.97 -0.44 1.69 4.81 -0.83 -1.93 114.58 119.55 1jyo h GLU 118 Ca 0.18 -0.21 -0.11 0.00 -0.13 0.00 0.00 59.36 59.09 1jyo h GLU 118 Cb 0.07 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 1jyo h GLU 118 CO -0.03 0.86 -0.17 0.00 -0.73 0.00 0.00 179.01 178.94 1jyo h ALA 119 N 1.24 0.61 -0.26 2.92 0.00 -0.90 -2.58 119.26 120.28 1jyo h ALA 119 Ca 0.20 -0.36 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 1jyo h ALA 119 Cb 0.32 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1jyo h ALA 119 CO -0.00 0.55 -0.29 -0.07 0.00 0.00 0.00 179.25 179.45 1jyo h LEU 120 N 0.72 0.54 -0.72 0.00 3.38 -1.00 -2.41 115.31 115.82 1jyo h LEU 120 Ca 0.10 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 1jyo h LEU 120 Cb 0.73 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 1jyo h LEU 120 CO 0.06 0.81 0.24 0.11 0.09 0.00 0.00 178.44 179.75 1jyo h LYS 121 N 0.46 1.11 -0.62 1.13 1.57 -1.25 -0.50 116.57 118.46 1jyo h LYS 121 Ca 0.06 -0.23 -0.07 0.00 -1.87 0.00 0.00 60.65 58.55 1jyo h LYS 121 Cb 0.73 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.85 1jyo h LYS 121 CO 0.06 0.94 0.12 -0.97 -0.57 0.00 0.00 179.45 179.03 1jyo h ASN 122 N 1.05 0.97 -0.01 0.86 -1.24 -1.22 0.17 115.58 116.16 1jyo h ASN 122 Ca 0.23 -0.25 -0.16 0.00 0.71 0.00 0.00 56.30 56.83 1jyo h ASN 122 Cb 0.28 -0.26 -0.01 0.00 0.73 0.00 0.00 38.32 39.07 1jyo h ASN 122 CO -0.01 0.97 -0.54 0.40 -1.29 0.00 0.00 177.43 176.96 1jyo h ILE 123 N 0.93 1.31 -0.27 2.57 1.08 -1.19 -3.31 117.51 118.63 1jyo h ILE 123 Ca 0.19 -1.77 0.00 0.00 -0.39 0.00 0.00 64.86 62.89 1jyo h ILE 123 Cb 0.40 1.74 0.00 0.00 -3.07 0.00 0.00 36.82 35.88 1jyo h ILE 123 CO 0.01 0.55 0.00 0.18 -0.69 0.00 0.00 178.15 178.20 1jyo n LEU 124 N -3.97 3.07 -0.31 1.44 4.77 -0.22 -4.63 117.00 117.15 1jyo n LEU 124 Ca -0.03 -1.42 0.10 0.00 -0.03 0.00 0.00 56.01 54.63 1jyo n LEU 124 Cb 0.60 -0.17 0.27 0.00 -2.33 0.00 0.00 43.42 41.79 1jyo n LEU 124 CO 0.47 0.65 1.10 0.06 -1.33 0.00 0.00 177.39 178.34 1jyo h GLN 125 N 3.77 0.56 -0.16 3.23 3.07 -0.75 -1.42 115.11 123.41 1jyo h GLN 125 Ca 0.00 -0.03 0.05 0.00 0.09 0.00 0.00 58.65 58.75 1jyo h GLN 125 Cb 0.86 -0.13 -0.01 0.00 0.08 0.00 0.00 27.48 28.29 1jyo h GLN 125 CO 0.00 0.37 0.14 0.93 0.09 0.00 0.00 178.83 180.36 1jyo h GLU 126 N 0.58 0.00 -0.04 0.06 5.08 -1.85 -1.95 114.58 116.46 1jyo h GLU 126 Ca 0.52 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.88 1jyo h GLU 126 Cb 0.84 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.09 1jyo h GLU 126 CO -0.42 0.00 0.00 0.66 -1.00 0.00 0.00 179.01 178.25 1jyo n TYR 127 N -4.13 0.04 -2.09 4.33 0.53 -0.53 -4.94 117.16 110.37 1jyo n TYR 127 Ca 0.01 -0.02 -0.37 0.00 -1.02 0.00 0.00 57.90 56.50 1jyo n TYR 127 Cb 0.26 0.00 0.02 0.00 -1.03 0.00 0.00 39.34 38.59 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 -1.96 2.75 1.04 -0.72 0.00 -0.74 -4.71 121.76 117.42 1jyo s ALA 128 Ca 0.38 1.01 -0.12 0.00 0.00 0.00 0.00 51.96 53.23 1jyo s ALA 128 Cb 0.20 -3.43 0.21 0.00 0.00 0.00 0.00 23.12 20.10 1jyo s ALA 128 CO 0.32 -0.98 1.07 0.15 0.00 0.00 0.00 175.76 176.32 1jyo s LYS 129 N -3.05 0.06 0.00 0.00 1.02 -0.72 -5.01 119.74 112.04 1jyo s LYS 129 Ca 0.71 0.84 0.00 0.00 0.02 0.00 0.00 55.97 57.55 1jyo s LYS 129 Cb -0.30 -1.67 0.00 0.00 -0.52 0.00 0.00 37.83 35.34 1jyo s LYS 129 CO 0.35 -3.07 0.49 0.28 -0.92 0.00 0.00 175.35 172.48