#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yvj s PHE 3 N 0.00 2.98 -0.05 -1.42 0.40 -1.26 -4.52 117.98 114.11 2yvj s PHE 3 Ca 0.00 0.91 0.01 0.00 -0.60 0.00 0.00 56.93 57.25 2yvj s PHE 3 Cb 0.00 -3.88 0.02 0.00 0.51 0.00 0.00 43.02 39.67 2yvj s PHE 3 CO 0.00 -2.97 -0.06 0.99 0.70 0.00 0.00 175.22 173.88 2yvj s THR 4 N 0.22 0.70 -0.46 0.64 2.01 0.16 -4.93 115.64 113.99 2yvj s THR 4 Ca 0.62 -0.21 -0.27 0.00 0.31 0.00 0.00 61.69 62.14 2yvj s THR 4 Cb -0.43 -0.69 -0.04 0.00 0.01 0.00 0.00 72.50 71.35 2yvj s THR 4 CO 0.42 0.26 2.03 -0.75 -0.69 0.00 0.00 174.62 175.89 2yvj s LYS 5 N 0.88 2.74 0.11 4.92 2.36 -1.26 -1.68 119.74 127.81 2yvj s LYS 5 Ca -0.12 1.21 0.17 0.00 -2.55 0.00 0.00 55.97 54.68 2yvj s LYS 5 Cb -0.15 -4.39 -0.09 0.00 -1.05 0.00 0.00 37.83 32.16 2yvj s LYS 5 CO 0.01 -2.56 0.96 0.00 1.55 0.00 0.00 175.35 175.31 2yvj h ALA 6 N 15.61 0.64 -3.00 3.13 0.00 -1.50 -3.48 119.26 130.66 2yvj h ALA 6 Ca -0.29 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 53.90 2yvj h ALA 6 Cb 1.20 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.18 2yvj h ALA 6 CO 1.12 0.80 0.00 0.00 0.00 0.00 0.00 179.25 181.17 2yvj s SER 8 N 2.00 4.85 -0.00 0.00 1.04 -1.26 -0.18 113.70 120.15 2yvj s SER 8 Ca 0.00 -0.70 0.02 0.00 0.48 0.00 0.00 55.95 55.76 2yvj s SER 8 Cb 0.00 -0.79 0.08 0.00 0.10 0.00 0.00 66.02 65.40 2yvj s SER 8 CO 0.00 -0.31 1.03 1.33 0.98 0.00 0.00 173.24 176.27 2yvj n VAL 9 N -1.21 0.13 0.00 5.02 0.24 -0.58 -3.29 118.33 118.64 2yvj n VAL 9 Ca -0.03 -0.12 0.00 0.00 -2.04 0.00 0.00 64.34 62.16 2yvj n VAL 9 Cb 0.61 0.02 0.00 0.00 -1.47 0.00 0.00 33.84 32.99 2yvj n VAL 9 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 2yvj n ASP 10 N -0.23 4.75 -0.22 -1.34 3.85 -1.26 -4.59 116.55 117.51 2yvj n ASP 10 Ca 0.03 0.00 0.19 0.00 -0.71 0.00 0.00 54.79 54.29 2yvj n ASP 10 Cb 0.09 0.38 0.52 0.00 -1.35 0.00 0.00 41.12 40.76 2yvj n ASP 10 CO 0.00 0.00 0.00 -0.33 -1.01 0.00 0.00 177.20 175.86 2yvj h GLU 11 N 0.00 0.38 -4.13 0.11 5.08 -1.96 -3.32 114.58 110.74 2yvj h GLU 11 Ca 0.00 -0.02 -0.67 0.00 -1.00 0.00 0.00 59.36 57.67 2yvj h GLU 11 Cb 1.00 -0.09 -0.38 0.00 0.50 0.00 0.00 28.75 29.78 2yvj h GLU 11 CO 0.00 0.25 -0.60 0.08 -1.00 0.00 0.00 179.01 177.75 2yvj s VAL 12 N -5.41 2.84 0.65 3.13 1.01 -1.25 -4.78 120.40 116.58 2yvj s VAL 12 Ca -0.08 -2.62 -0.01 0.00 0.00 0.00 0.00 61.98 59.27 2yvj s VAL 12 Cb 0.22 -2.97 0.08 0.00 0.00 0.00 0.00 36.38 33.70 2yvj s VAL 12 CO 0.78 -0.72 0.90 -2.16 0.00 0.00 0.00 175.10 173.90 2yvj s PRO 13 N 0.50 2.12 0.30 2.72 0.04 -1.25 -4.76 135.00 134.67 2yvj s PRO 13 Ca 0.13 -0.83 -0.27 0.00 0.04 0.00 0.00 61.00 60.07 2yvj s PRO 13 Cb -0.22 -2.37 -0.14 0.00 0.04 0.00 0.00 34.50 31.81 2yvj s PRO 13 CO -0.04 -1.10 0.81 -2.30 0.04 0.00 0.00 177.00 174.40 2yvj n PRO 14 N -2.64 0.89 -0.92 0.56 -0.02 -1.26 -1.45 135.00 130.16 2yvj n PRO 14 Ca 0.11 0.31 -0.05 0.00 -2.02 0.00 0.00 63.50 61.85 2yvj n PRO 14 Cb 0.60 -1.59 -0.02 0.00 -0.02 0.00 0.00 33.50 32.47 2yvj n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2yvj n GLY 15 N 1.51 0.49 0.57 -1.23 0.00 -0.61 -4.93 105.19 100.99 2yvj n GLY 15 Ca 0.12 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.09 2yvj n GLY 15 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2yvj n GLU 16 N -0.36 1.65 -3.64 1.61 -0.58 -0.53 -4.75 120.64 114.04 2yvj n GLU 16 Ca -0.05 -0.56 -0.05 0.00 -0.42 0.00 0.00 57.16 56.07 2yvj n GLU 16 Cb 0.36 0.12 -0.07 0.00 -0.57 0.00 0.00 31.44 31.28 2yvj n GLU 16 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2yvj s ALA 17 N -2.13 -2.08 -0.16 0.62 0.00 -1.26 -3.11 121.76 113.64 2yvj s ALA 17 Ca 0.02 2.23 0.00 0.00 0.00 0.00 0.00 51.96 54.21 2yvj s ALA 17 Cb -0.00 -1.55 0.00 0.00 0.00 0.00 0.00 23.12 21.57 2yvj s ALA 17 CO 0.01 -0.34 -0.16 -1.17 0.00 0.00 0.00 175.76 174.10 2yvj s LEU 18 N 1.24 2.41 1.09 0.00 0.20 -1.00 -4.81 118.68 117.82 2yvj s LEU 18 Ca -0.07 -0.51 -0.16 0.00 0.69 0.00 0.00 54.13 54.08 2yvj s LEU 18 Cb -0.04 -1.55 0.12 0.00 -0.43 0.00 0.00 46.19 44.29 2yvj s LEU 18 CO -0.15 0.07 0.29 1.67 -0.29 0.00 0.00 176.35 177.94 2yvj n GLN 19 N 4.18 -1.42 -3.69 1.98 7.27 -1.26 -2.85 117.38 121.59 2yvj n GLN 19 Ca -0.19 -0.39 -0.11 0.00 0.07 0.00 0.00 57.00 56.38 2yvj n GLN 19 Cb 0.51 -1.83 -0.11 0.00 2.41 0.00 0.00 30.24 31.22 2yvj n GLN 19 CO 0.00 0.00 0.00 0.14 0.07 0.00 0.00 177.06 177.27 2yvj s VAL 20 N -2.31 -0.17 -0.82 1.69 -7.23 0.22 -4.83 120.40 106.94 2yvj s VAL 20 Ca 0.58 0.14 -0.01 0.00 -1.81 0.00 0.00 61.98 60.88 2yvj s VAL 20 Cb -0.16 -0.56 0.35 0.00 0.56 0.00 0.00 36.38 36.57 2yvj s VAL 20 CO 0.66 0.06 1.83 -0.24 -0.31 0.00 0.00 175.10 177.10 2yvj n SER 21 N 4.55 7.03 -4.57 4.85 2.88 -1.26 0.18 113.62 127.28 2yvj n SER 21 Ca -0.20 -3.79 -0.47 0.00 -1.33 0.00 0.00 58.87 53.09 2yvj n SER 21 Cb 0.53 -0.99 -0.05 0.00 -0.75 0.00 0.00 64.21 62.95 2yvj n SER 21 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 2yvj n HIS 22 N -0.42 1.95 0.00 0.66 -0.00 -1.12 -4.11 115.22 112.17 2yvj n HIS 22 Ca 0.50 0.02 0.00 0.00 -0.00 0.00 0.00 57.72 58.24 2yvj n HIS 22 Cb 0.30 -2.65 0.00 0.00 -0.00 0.00 0.00 29.99 27.63 2yvj n HIS 22 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 2yvj n ASP 23 N 9.80 0.00 -0.20 0.26 9.92 -1.26 0.16 116.55 135.24 2yvj n ASP 23 Ca 0.32 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.58 2yvj n ASP 23 Cb 0.34 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.82 2yvj n ASP 23 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2yvj n ALA 24 N 4.81 1.40 -1.68 2.24 0.00 -1.26 -4.98 120.51 121.03 2yvj n ALA 24 Ca 0.00 -0.58 -0.41 0.00 0.00 0.00 0.00 53.44 52.45 2yvj n ALA 24 Cb 0.00 -0.16 -0.00 0.00 0.00 0.00 0.00 19.45 19.28 2yvj n ALA 24 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2yvj n GLN 25 N 0.00 3.04 -1.70 0.00 6.02 0.42 -4.98 117.38 120.18 2yvj n GLN 25 Ca 0.00 -2.58 -0.43 0.00 -0.01 0.00 0.00 57.00 53.99 2yvj n GLN 25 Cb 0.57 -3.19 -0.03 0.00 1.02 0.00 0.00 30.24 28.61 2yvj n GLN 25 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2yvj n LYS 26 N 5.55 2.72 -4.34 -1.09 4.76 -1.25 -2.79 118.16 121.73 2yvj n LYS 26 Ca 0.56 0.98 -0.21 0.00 -2.87 0.00 0.00 58.31 56.78 2yvj n LYS 26 Cb 0.36 -2.84 -0.16 0.00 -1.84 0.00 0.00 35.03 30.55 2yvj n LYS 26 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2yvj s VAL 27 N 1.66 0.74 -0.10 -0.18 1.01 0.47 -3.36 120.40 120.65 2yvj s VAL 27 Ca 0.78 -0.29 -0.24 0.00 0.00 0.00 0.00 61.98 62.23 2yvj s VAL 27 Cb -0.52 -0.69 -0.03 0.00 0.00 0.00 0.00 36.38 35.14 2yvj s VAL 27 CO 0.35 0.25 0.73 0.00 0.00 0.00 0.00 175.10 176.43 2yvj s ALA 28 N 0.52 3.38 -0.14 5.51 0.00 0.29 0.71 121.76 132.03 2yvj s ALA 28 Ca -0.08 0.09 0.00 0.00 0.00 0.00 0.00 51.96 51.98 2yvj s ALA 28 Cb -0.12 -3.03 -0.01 0.00 0.00 0.00 0.00 23.12 19.97 2yvj s ALA 28 CO 0.01 -0.26 -0.15 0.42 0.00 0.00 0.00 175.76 175.78 2yvj s ILE 29 N 1.18 2.81 0.07 0.00 1.01 -1.13 0.19 121.20 125.33 2yvj s ILE 29 Ca 0.37 -0.73 0.06 0.00 0.00 0.00 0.00 60.65 60.35 2yvj s ILE 29 Cb -0.17 -2.18 -0.03 0.00 0.01 0.00 0.00 42.46 40.09 2yvj s ILE 29 CO 0.17 0.52 -0.17 -0.36 0.00 0.00 0.00 174.94 175.10 2yvj s PHE 30 N 0.55 1.46 -0.28 3.97 0.40 -0.73 -2.36 117.98 120.99 2yvj s PHE 30 Ca -0.09 -0.42 -0.07 0.00 -0.60 0.00 0.00 56.93 55.76 2yvj s PHE 30 Cb -0.16 -0.82 -0.00 0.00 0.51 0.00 0.00 43.02 42.54 2yvj s PHE 30 CO 0.04 0.10 0.07 1.21 0.70 0.00 0.00 175.22 177.33 2yvj s ASN 31 N -1.61 5.04 -0.48 1.36 3.84 -1.18 -1.86 114.94 120.05 2yvj s ASN 31 Ca 0.02 -0.54 -0.00 0.00 0.21 0.00 0.00 52.86 52.55 2yvj s ASN 31 Cb -0.09 -1.88 0.13 0.00 -0.55 0.00 0.00 41.25 38.85 2yvj s ASN 31 CO 0.03 -0.13 0.26 -0.69 -2.79 0.00 0.00 177.10 173.78 2yvj s VAL 32 N 1.53 3.11 0.00 -5.21 1.01 0.12 -1.57 120.40 119.39 2yvj s VAL 32 Ca 0.04 -2.63 0.00 0.00 0.00 0.00 0.00 61.98 59.39 2yvj s VAL 32 Cb -0.16 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.10 2yvj s VAL 32 CO 0.02 -0.75 0.00 0.47 0.00 0.00 0.00 175.10 174.84 2yvj n ASP 33 N 3.91 -1.60 0.00 3.32 10.43 -1.26 -2.15 116.55 129.20 2yvj n ASP 33 Ca 0.03 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.39 2yvj n ASP 33 Cb 0.39 -1.75 0.00 0.00 1.84 0.00 0.00 41.12 41.59 2yvj n ASP 33 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2yvj n GLY 34 N -1.54 0.52 3.54 0.44 0.00 -1.26 -5.10 105.19 101.79 2yvj n GLY 34 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 2yvj n GLY 34 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2yvj s GLU 35 N 0.00 2.45 -0.16 1.61 -6.30 -0.91 -5.10 118.70 110.28 2yvj s GLU 35 Ca 0.00 -0.76 -0.07 0.00 -2.50 0.00 0.00 54.97 51.64 2yvj s GLU 35 Cb 0.00 -2.41 -0.04 0.00 0.00 0.00 0.00 34.13 31.68 2yvj s GLU 35 CO 0.00 0.60 0.07 -0.06 0.02 0.00 0.00 175.26 175.89 2yvj s PHE 36 N -0.91 3.30 -0.12 5.30 0.40 -1.26 0.14 117.98 124.84 2yvj s PHE 36 Ca 0.15 0.18 -0.01 0.00 -0.60 0.00 0.00 56.93 56.65 2yvj s PHE 36 Cb -0.11 -2.03 0.03 0.00 0.51 0.00 0.00 43.02 41.43 2yvj s PHE 36 CO 0.05 0.29 -0.05 -0.06 0.70 0.00 0.00 175.22 176.16 2yvj s PHE 37 N -0.01 1.29 -0.22 0.36 0.40 -0.78 -4.94 117.98 114.09 2yvj s PHE 37 Ca 0.06 -0.66 -0.09 0.00 -0.60 0.00 0.00 56.93 55.65 2yvj s PHE 37 Cb -0.12 -1.13 -0.04 0.00 0.51 0.00 0.00 43.02 42.24 2yvj s PHE 37 CO 0.01 -0.49 0.11 0.00 0.70 0.00 0.00 175.22 175.54 2yvj s ALA 38 N 1.77 3.45 0.49 5.36 0.00 -1.26 -1.78 121.76 129.79 2yvj s ALA 38 Ca 0.04 -0.88 0.02 0.00 0.00 0.00 0.00 51.96 51.14 2yvj s ALA 38 Cb -0.13 -2.13 -0.02 0.00 0.00 0.00 0.00 23.12 20.84 2yvj s ALA 38 CO -0.07 -0.11 0.01 0.95 0.00 0.00 0.00 175.76 176.54 2yvj s THR 39 N 0.91 1.18 0.12 0.00 -4.23 0.49 -1.08 115.64 113.04 2yvj s THR 39 Ca 0.06 -2.00 -0.31 0.00 -1.18 0.00 0.00 61.69 58.26 2yvj s THR 39 Cb -0.13 -2.24 -0.07 0.00 1.34 0.00 0.00 72.50 71.39 2yvj s THR 39 CO 0.03 0.00 1.29 0.00 -0.54 0.00 0.00 174.62 175.40 2yvj s GLN 40 N -3.85 4.39 0.52 3.99 -2.07 -0.42 0.10 119.66 122.33 2yvj s GLN 40 Ca 0.10 1.94 0.31 0.00 -1.82 0.00 0.00 55.36 55.89 2yvj s GLN 40 Cb 0.02 -3.27 1.16 0.00 -1.09 0.00 0.00 33.01 29.83 2yvj s GLN 40 CO 0.05 -0.30 1.91 0.22 -1.32 0.00 0.00 175.29 175.85 2yvj h ASP 41 N 6.33 0.00 -3.42 12.60 3.58 -1.84 -3.40 116.42 130.26 2yvj h ASP 41 Ca -0.43 0.00 -0.59 0.00 0.42 0.00 0.00 57.03 56.43 2yvj h ASP 41 Cb 1.21 0.00 -0.10 0.00 1.72 0.00 0.00 39.33 42.17 2yvj h ASP 41 CO 0.81 0.03 -0.02 -1.10 -2.88 0.00 0.00 179.24 176.08 2yvj s GLN 42 N -3.59 4.23 0.12 0.28 -0.21 -1.26 -0.35 119.66 118.87 2yvj s GLN 42 Ca 0.02 0.48 -0.31 0.00 0.02 0.00 0.00 55.36 55.57 2yvj s GLN 42 Cb 0.08 -3.54 -0.09 0.00 1.00 0.00 0.00 33.01 30.47 2yvj s GLN 42 CO 0.57 -0.10 1.62 0.00 -2.12 0.00 0.00 175.29 175.27 2yvj n THR 44 N 4.36 1.03 -0.01 0.00 -2.24 -1.26 -0.19 114.28 115.96 2yvj n THR 44 Ca 0.15 0.55 -0.00 0.00 -2.27 0.00 0.00 64.05 62.48 2yvj n THR 44 Cb 0.39 -1.53 -0.00 0.00 -2.10 0.00 0.00 70.33 67.10 2yvj n THR 44 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 2yvj h HIS 45 N 0.00 0.00 0.00 4.78 -0.00 -1.89 -3.43 115.15 114.61 2yvj h HIS 45 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.36 2yvj h HIS 45 Cb 0.12 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 27.51 2yvj h HIS 45 CO 0.00 0.00 -0.30 0.41 -0.00 0.00 0.00 177.93 178.04 2yvj n GLY 46 N 1.92 4.49 4.00 5.26 0.00 -1.20 -5.00 105.19 114.66 2yvj n GLY 46 Ca -0.00 -1.12 -0.40 0.00 0.00 0.00 0.00 46.02 44.50 2yvj n GLY 46 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2yvj n GLU 47 N -1.10 -0.47 -3.59 1.61 1.02 0.73 -4.97 120.64 113.87 2yvj n GLU 47 Ca 0.16 0.13 -0.25 0.00 -0.02 0.00 0.00 57.16 57.18 2yvj n GLU 47 Cb 0.69 -2.13 -0.02 0.00 -0.02 0.00 0.00 31.44 29.96 2yvj n GLU 47 CO 0.00 0.00 0.00 -0.46 1.18 0.00 0.00 177.13 177.85 2yvj s TRP 48 N -3.51 3.48 -0.17 -0.32 -0.11 -1.26 -4.76 118.94 112.30 2yvj s TRP 48 Ca 0.37 0.31 -0.29 0.00 1.22 0.00 0.00 56.10 57.71 2yvj s TRP 48 Cb -0.21 -1.84 -0.01 0.00 -1.50 0.00 0.00 33.47 29.91 2yvj s TRP 48 CO 0.89 0.27 1.20 0.45 -4.62 0.00 0.00 176.95 175.13 2yvj s SER 49 N -3.66 7.00 0.01 5.86 0.15 -1.26 -0.50 113.70 121.30 2yvj s SER 49 Ca 0.39 1.63 -0.18 0.00 0.70 0.00 0.00 55.95 58.48 2yvj s SER 49 Cb -0.10 -2.54 -0.32 0.00 -1.71 0.00 0.00 66.02 61.35 2yvj s SER 49 CO 0.32 -0.72 1.00 -0.07 1.20 0.00 0.00 173.24 174.97 2yvj h LEU 50 N 9.48 0.70 -0.38 3.45 3.38 -1.04 -3.31 115.31 127.59 2yvj h LEU 50 Ca -0.26 -0.89 -0.18 0.00 0.09 0.00 0.00 57.88 56.64 2yvj h LEU 50 Cb 1.10 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.62 2yvj h LEU 50 CO 0.96 1.53 -0.58 0.77 0.09 0.00 0.00 178.44 181.21 2yvj h SER 51 N -0.03 0.81 -3.43 -0.43 4.64 -1.91 -3.18 113.55 110.03 2yvj h SER 51 Ca -0.18 -0.45 -0.71 0.00 -0.47 0.00 0.00 61.79 59.97 2yvj h SER 51 Cb 1.84 -0.23 -0.21 0.00 -0.31 0.00 0.00 62.40 63.49 2yvj h SER 51 CO 0.21 1.21 -0.29 -0.70 -0.87 0.00 0.00 176.83 176.39 2yvj s GLU 52 N -4.02 3.02 0.00 4.77 2.12 -1.24 -4.18 118.70 119.16 2yvj s GLU 52 Ca -0.09 -1.03 0.00 0.00 0.36 0.00 0.00 54.97 54.20 2yvj s GLU 52 Cb 0.10 -4.03 0.00 0.00 0.26 0.00 0.00 34.13 30.46 2yvj s GLU 52 CO 0.87 -0.91 0.00 0.41 -0.54 0.00 0.00 175.26 175.09 2yvj n GLY 53 N 5.16 1.56 3.85 -1.50 0.00 -1.26 -4.63 105.19 108.37 2yvj n GLY 53 Ca -0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.63 2yvj n GLY 53 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2yvj s GLY 54 N -1.85 1.60 -0.32 -0.02 0.00 -1.20 -4.52 107.32 101.02 2yvj s GLY 54 Ca 0.00 -0.47 0.03 0.00 0.00 0.00 0.00 44.72 44.29 2yvj s GLY 54 CO 0.00 0.00 0.01 -0.19 0.00 0.00 0.00 173.10 172.92 2yvj s TYR 55 N -3.38 3.51 -0.40 1.90 2.02 0.24 -4.91 117.35 116.33 2yvj s TYR 55 Ca 0.61 -2.75 -0.23 0.00 -0.37 0.00 0.00 57.07 54.34 2yvj s TYR 55 Cb -0.13 -2.59 0.02 0.00 -0.40 0.00 0.00 41.96 38.86 2yvj s TYR 55 CO 0.52 -0.92 0.76 -1.17 -1.57 0.00 0.00 175.55 173.16 2yvj s LEU 56 N 1.00 4.21 -0.46 -1.29 2.96 -1.26 -1.34 118.68 122.50 2yvj s LEU 56 Ca 0.06 0.10 -0.08 0.00 -0.22 0.00 0.00 54.13 53.99 2yvj s LEU 56 Cb -0.19 -2.95 0.12 0.00 0.50 0.00 0.00 46.19 43.66 2yvj s LEU 56 CO -0.08 -0.79 0.32 -0.62 -1.32 0.00 0.00 176.35 173.86 2yvj s ASP 57 N 1.96 5.62 1.08 3.68 2.15 0.26 -4.92 116.67 126.51 2yvj s ASP 57 Ca 0.29 -1.94 0.00 0.00 0.43 0.00 0.00 52.55 51.34 2yvj s ASP 57 Cb -0.13 -1.98 0.00 0.00 -0.30 0.00 0.00 42.92 40.51 2yvj s ASP 57 CO 0.19 -0.67 0.00 0.61 -0.17 0.00 0.00 175.17 175.13 2yvj n GLY 58 N 4.85 2.20 0.21 2.66 0.00 -1.26 -2.84 105.19 111.02 2yvj n GLY 58 Ca -0.07 -0.37 0.07 0.00 0.00 0.00 0.00 46.02 45.66 2yvj n GLY 58 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2yvj n ASP 59 N 9.31 1.76 -4.26 1.61 5.75 -1.26 -4.84 116.55 124.62 2yvj n ASP 59 Ca 0.00 -2.86 -0.35 0.00 -0.01 0.00 0.00 54.79 51.57 2yvj n ASP 59 Cb 0.00 -0.38 -0.14 0.00 -1.03 0.00 0.00 41.12 39.57 2yvj n ASP 59 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2yvj s VAL 60 N -2.19 3.18 -0.24 2.12 1.01 -1.13 -0.86 120.40 122.29 2yvj s VAL 60 Ca 0.25 -0.72 -0.08 0.00 0.00 0.00 0.00 61.98 61.43 2yvj s VAL 60 Cb 0.22 -2.52 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 2yvj s VAL 60 CO 0.02 0.32 0.10 0.54 0.00 0.00 0.00 175.10 176.08 2yvj s VAL 61 N 1.42 4.74 -0.02 2.92 0.11 -0.42 -0.58 120.40 128.58 2yvj s VAL 61 Ca 0.04 -0.03 -0.05 0.00 -2.93 0.00 0.00 61.98 59.01 2yvj s VAL 61 Cb -0.15 -3.21 -0.04 0.00 -1.53 0.00 0.00 36.38 31.45 2yvj s VAL 61 CO -0.04 0.35 0.21 -0.70 -3.33 0.00 0.00 175.10 171.60 2yvj s GLU 62 N 1.28 3.50 -0.11 1.54 2.12 -0.45 -0.62 118.70 125.95 2yvj s GLU 62 Ca 0.06 -0.19 -0.21 0.00 0.36 0.00 0.00 54.97 54.99 2yvj s GLU 62 Cb -0.14 -3.10 -0.04 0.00 0.26 0.00 0.00 34.13 31.11 2yvj s GLU 62 CO 0.05 0.68 0.58 0.00 -0.54 0.00 0.00 175.26 176.03 2yvj h SER 64 N 6.86 0.00 0.48 0.00 4.64 -1.89 0.11 113.55 123.76 2yvj h SER 64 Ca -0.39 -0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.90 2yvj h SER 64 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2yvj h SER 64 CO 0.76 0.00 -0.23 0.25 -0.87 0.00 0.00 176.83 176.74 2yvj h LEU 65 N 0.00 -0.55 -1.03 5.97 5.85 -1.93 -3.38 115.31 120.23 2yvj h LEU 65 Ca 0.00 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 2yvj h LEU 65 Cb 1.00 0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.17 2yvj h LEU 65 CO 0.00 -0.30 -0.02 1.41 -0.34 0.00 0.00 178.44 179.19 2yvj n HIS 66 N -4.25 0.00 -2.11 1.25 8.25 -1.26 -5.00 115.22 112.10 2yvj n HIS 66 Ca -0.08 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.30 2yvj n HIS 66 Cb 0.26 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.36 2yvj n HIS 66 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 2yvj n MET 67 N 0.09 -0.63 -1.60 -0.41 2.81 0.38 -4.71 117.12 113.05 2yvj n MET 67 Ca 0.02 0.40 -0.30 0.00 -1.81 0.00 0.00 57.70 56.02 2yvj n MET 67 Cb 0.10 -4.34 0.09 0.00 -0.71 0.00 0.00 33.22 28.36 2yvj n MET 67 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 2yvj s GLY 68 N -2.65 1.62 -0.13 3.03 0.00 -1.25 -4.70 107.32 103.23 2yvj s GLY 68 Ca 0.00 -0.25 -0.10 0.00 0.00 0.00 0.00 44.72 44.37 2yvj s GLY 68 CO 0.00 0.18 0.33 0.54 0.00 0.00 0.00 173.10 174.15 2yvj s LYS 69 N -5.20 0.36 0.20 2.90 1.02 -0.51 0.27 119.74 118.77 2yvj s LYS 69 Ca 0.61 0.53 0.02 0.00 0.02 0.00 0.00 55.97 57.14 2yvj s LYS 69 Cb -0.14 0.10 -0.05 0.00 -0.52 0.00 0.00 37.83 37.22 2yvj s LYS 69 CO 0.54 -0.08 0.01 -0.06 -0.92 0.00 0.00 175.35 174.83 2yvj s PHE 70 N 0.57 1.34 -0.16 3.18 0.40 0.21 0.23 117.98 123.74 2yvj s PHE 70 Ca -0.03 -1.01 -0.14 0.00 -0.60 0.00 0.00 56.93 55.15 2yvj s PHE 70 Cb -0.05 -0.76 -0.05 0.00 0.51 0.00 0.00 43.02 42.67 2yvj s PHE 70 CO -0.03 -0.18 0.32 0.00 0.70 0.00 0.00 175.22 176.02 2yvj n VAL 72 N 3.60 0.00 -0.04 0.00 0.24 -0.04 0.86 118.33 122.94 2yvj n VAL 72 Ca -0.11 -0.01 -0.08 0.00 -2.04 0.00 0.00 64.34 62.10 2yvj n VAL 72 Cb 0.52 -0.45 -0.14 0.00 -1.47 0.00 0.00 33.84 32.30 2yvj n VAL 72 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2yvj n ARG 73 N -1.29 0.65 0.00 7.34 1.74 -1.26 -4.53 116.66 119.31 2yvj n ARG 73 Ca 0.13 0.17 0.00 0.00 -0.77 0.00 0.00 57.85 57.38 2yvj n ARG 73 Cb 0.26 -1.69 0.00 0.00 -1.02 0.00 0.00 32.46 30.01 2yvj n ARG 73 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2yvj n THR 74 N -2.91 0.00 -0.81 0.55 -2.24 -1.23 -5.00 114.28 102.64 2yvj n THR 74 Ca -0.22 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 2yvj n THR 74 Cb 1.06 0.59 0.00 0.00 -2.10 0.00 0.00 70.33 69.88 2yvj n THR 74 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2yvj n GLY 75 N 1.93 0.57 3.68 3.38 0.00 0.25 -4.66 105.19 110.34 2yvj n GLY 75 Ca 0.00 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 2yvj n GLY 75 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2yvj s LYS 76 N -0.55 4.35 0.10 1.61 2.36 -1.22 0.19 119.74 126.58 2yvj s LYS 76 Ca 0.00 1.21 -0.36 0.00 -2.55 0.00 0.00 55.97 54.27 2yvj s LYS 76 Cb 0.00 -3.56 -0.16 0.00 -1.05 0.00 0.00 37.83 33.05 2yvj s LYS 76 CO 0.00 -0.35 1.38 0.28 1.55 0.00 0.00 175.35 178.21 2yvj n VAL 77 N 4.70 0.01 0.90 4.02 0.31 -1.26 0.01 118.33 127.01 2yvj n VAL 77 Ca 0.07 -0.00 0.10 0.00 -0.01 0.00 0.00 64.34 64.49 2yvj n VAL 77 Cb 0.48 -0.94 -0.03 0.00 -0.91 0.00 0.00 33.84 32.45 2yvj n VAL 77 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2yvj n LYS 78 N 2.66 1.19 -3.55 5.55 4.01 0.13 -4.82 118.16 123.33 2yvj n LYS 78 Ca 0.18 -0.69 0.01 0.00 -0.51 0.00 0.00 58.31 57.30 2yvj n LYS 78 Cb 0.21 -1.41 -0.06 0.00 -0.51 0.00 0.00 35.03 33.26 2yvj n LYS 78 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 2yvj s SER 79 N -2.42 -0.22 1.40 4.39 0.15 -0.79 -4.91 113.70 111.31 2yvj s SER 79 Ca 0.14 0.33 -0.22 0.00 0.70 0.00 0.00 55.95 56.90 2yvj s SER 79 Cb 0.16 1.13 0.36 0.00 -1.71 0.00 0.00 66.02 65.96 2yvj s SER 79 CO 0.59 -0.05 0.94 -2.84 1.20 0.00 0.00 173.24 173.07 2yvj s PRO 80 N 1.39 -2.80 0.52 5.44 0.02 -1.26 -1.43 135.00 136.89 2yvj s PRO 80 Ca -0.07 0.18 0.21 0.00 0.02 0.00 0.00 61.00 61.34 2yvj s PRO 80 Cb -0.03 -1.39 1.33 0.00 0.02 0.00 0.00 34.50 34.43 2yvj s PRO 80 CO -0.13 -4.80 2.06 -1.35 -0.33 0.00 0.00 177.00 172.46 2yvj h PRO 81 N -3.37 0.01 -6.15 5.54 0.11 -1.88 -3.37 132.00 122.90 2yvj h PRO 81 Ca -0.45 -0.00 -0.73 0.00 0.11 0.00 0.00 66.00 64.94 2yvj h PRO 81 Cb 1.34 -0.00 0.06 0.00 0.11 0.00 0.00 31.00 32.50 2yvj h PRO 81 CO 0.30 0.01 0.23 -2.30 -0.21 0.00 0.00 178.00 176.02 2yvj n PRO 82 N -4.45 0.60 -0.07 1.05 -0.02 -1.26 -4.90 135.00 125.95 2yvj n PRO 82 Ca 0.04 0.21 -0.08 0.00 -2.02 0.00 0.00 63.50 61.65 2yvj n PRO 82 Cb 0.37 -1.76 -0.15 0.00 -0.02 0.00 0.00 33.50 31.94 2yvj n PRO 82 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2yvj s GLU 84 N -2.57 2.74 0.79 0.00 2.02 -1.26 -5.01 118.70 115.41 2yvj s GLU 84 Ca -0.08 -0.58 -0.13 0.00 0.02 0.00 0.00 54.97 54.20 2yvj s GLU 84 Cb 0.07 -2.61 0.08 0.00 0.10 0.00 0.00 34.13 31.77 2yvj s GLU 84 CO 0.83 0.65 1.19 -2.14 0.02 0.00 0.00 175.26 175.81 2yvj s PRO 85 N -1.10 1.74 0.10 0.39 0.02 -1.26 -4.68 135.00 130.21 2yvj s PRO 85 Ca 0.15 1.71 -0.30 0.00 0.02 0.00 0.00 61.00 62.58 2yvj s PRO 85 Cb -0.11 -1.79 -0.06 0.00 0.02 0.00 0.00 34.50 32.56 2yvj s PRO 85 CO 0.04 -2.12 0.95 -0.51 -0.33 0.00 0.00 177.00 175.03 2yvj s LEU 86 N -5.65 4.49 0.47 -5.54 1.43 0.50 -4.94 118.68 109.44 2yvj s LEU 86 Ca 0.72 1.77 -0.19 0.00 -1.03 0.00 0.00 54.13 55.40 2yvj s LEU 86 Cb -0.28 -3.57 -0.09 0.00 0.03 0.00 0.00 46.19 42.28 2yvj s LEU 86 CO 0.50 -0.07 0.97 -1.59 0.23 0.00 0.00 176.35 176.39 2yvj s LYS 87 N 0.06 4.06 0.06 1.70 -2.85 -1.26 -4.36 119.74 117.16 2yvj s LYS 87 Ca 0.47 1.10 0.05 0.00 -1.00 0.00 0.00 55.97 56.59 2yvj s LYS 87 Cb -0.23 -2.15 -0.03 0.00 -2.06 0.00 0.00 37.83 33.36 2yvj s LYS 87 CO 0.29 -0.18 -0.14 0.14 0.10 0.00 0.00 175.35 175.56 2yvj s VAL 88 N -2.31 1.12 -0.02 1.79 -7.23 0.48 -1.30 120.40 112.93 2yvj s VAL 88 Ca 0.62 -1.21 -0.05 0.00 -1.81 0.00 0.00 61.98 59.52 2yvj s VAL 88 Cb -0.10 -1.06 -0.04 0.00 0.56 0.00 0.00 36.38 35.73 2yvj s VAL 88 CO 0.20 -0.15 0.21 -0.31 -0.31 0.00 0.00 175.10 174.75 2yvj s TYR 89 N -1.14 3.57 0.64 2.82 1.51 -0.24 -0.31 117.35 124.21 2yvj s TYR 89 Ca -0.01 0.49 -0.18 0.00 -1.01 0.00 0.00 57.07 56.36 2yvj s TYR 89 Cb -0.09 -1.92 -0.02 0.00 -0.11 0.00 0.00 41.96 39.81 2yvj s TYR 89 CO 0.02 0.65 1.09 -2.30 -1.11 0.00 0.00 175.55 173.90 2yvj n PRO 90 N 1.22 0.90 -3.68 -1.71 -0.02 -1.26 -4.32 135.00 126.13 2yvj n PRO 90 Ca -0.13 0.36 -0.13 0.00 -2.02 0.00 0.00 63.50 61.59 2yvj n PRO 90 Cb 0.53 -2.31 -0.13 0.00 -0.02 0.00 0.00 33.50 31.57 2yvj n PRO 90 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 2yvj s ILE 91 N -1.51 -0.32 -0.01 4.25 2.07 -1.25 -2.84 121.20 121.58 2yvj s ILE 91 Ca 0.79 0.23 0.04 0.00 -1.41 0.00 0.00 60.65 60.29 2yvj s ILE 91 Cb -0.39 -0.46 -0.03 0.00 0.13 0.00 0.00 42.46 41.71 2yvj s ILE 91 CO 0.44 0.09 -0.12 -0.13 -1.91 0.00 0.00 174.94 173.32 2yvj s ARG 92 N 2.09 2.44 -0.19 3.50 0.52 0.23 -4.93 118.95 122.62 2yvj s ARG 92 Ca -0.02 -0.76 -0.08 0.00 -0.52 0.00 0.00 55.73 54.35 2yvj s ARG 92 Cb -0.11 -2.40 -0.04 0.00 0.52 0.00 0.00 34.95 32.92 2yvj s ARG 92 CO -0.09 0.60 0.08 0.42 0.02 0.00 0.00 175.30 176.33 2yvj s ILE 93 N -0.88 4.96 -0.58 1.52 1.09 -1.26 0.19 121.20 126.25 2yvj s ILE 93 Ca 0.14 0.03 0.06 0.00 -1.10 0.00 0.00 60.65 59.78 2yvj s ILE 93 Cb -0.11 -3.25 0.23 0.00 -1.06 0.00 0.00 42.46 38.27 2yvj s ILE 93 CO 0.04 0.45 0.62 -0.62 -0.10 0.00 0.00 174.94 175.32 2yvj n GLU 94 N 3.61 1.79 0.00 2.79 1.02 -0.00 -4.98 120.64 124.87 2yvj n GLU 94 Ca -0.16 -4.18 0.00 0.00 -0.02 0.00 0.00 57.16 52.79 2yvj n GLU 94 Cb 0.52 -1.97 0.00 0.00 -0.02 0.00 0.00 31.44 29.97 2yvj n GLU 94 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2yvj n GLY 95 N 1.34 1.44 0.67 0.62 0.00 -1.26 -3.68 105.19 104.32 2yvj n GLY 95 Ca 0.26 -0.49 0.06 0.00 0.00 0.00 0.00 46.02 45.86 2yvj n GLY 95 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2yvj n ARG 96 N 0.00 2.15 -4.48 1.61 0.63 -1.26 -4.92 116.66 110.40 2yvj n ARG 96 Ca 0.00 -1.84 -0.32 0.00 -0.92 0.00 0.00 57.85 54.77 2yvj n ARG 96 Cb 0.00 -1.29 -0.11 0.00 0.45 0.00 0.00 32.46 31.51 2yvj n ARG 96 CO 0.00 0.00 0.00 0.16 -2.51 0.00 0.00 177.63 175.28 2yvj s ASP 97 N -1.03 4.56 -0.34 6.15 1.47 -1.24 -1.53 116.67 124.71 2yvj s ASP 97 Ca 0.23 -0.17 0.02 0.00 1.18 0.00 0.00 52.55 53.82 2yvj s ASP 97 Cb 0.13 -1.04 0.09 0.00 -0.34 0.00 0.00 42.92 41.76 2yvj s ASP 97 CO 0.18 0.28 0.05 -0.69 0.68 0.00 0.00 175.17 175.67 2yvj s VAL 98 N -0.99 2.49 0.11 2.11 1.01 0.75 -0.82 120.40 125.05 2yvj s VAL 98 Ca 0.17 -2.12 -0.31 0.00 0.00 0.00 0.00 61.98 59.72 2yvj s VAL 98 Cb -0.11 -2.73 -0.07 0.00 0.00 0.00 0.00 36.38 33.48 2yvj s VAL 98 CO 0.07 -0.49 1.24 -0.76 0.00 0.00 0.00 175.10 175.16 2yvj s LEU 99 N 1.00 4.39 -0.01 3.92 1.02 0.51 -1.22 118.68 128.29 2yvj s LEU 99 Ca 0.06 2.14 0.01 0.00 0.02 0.00 0.00 54.13 56.36 2yvj s LEU 99 Cb -0.20 -3.59 0.00 0.00 0.02 0.00 0.00 46.19 42.43 2yvj s LEU 99 CO -0.06 -0.48 -0.03 -0.69 0.02 0.00 0.00 176.35 175.10 2yvj s VAL 100 N 0.77 0.29 -0.44 -1.59 1.01 -0.67 0.78 120.40 120.54 2yvj s VAL 100 Ca 0.58 -0.12 -0.04 0.00 0.00 0.00 0.00 61.98 62.40 2yvj s VAL 100 Cb -0.32 -0.27 0.12 0.00 0.00 0.00 0.00 36.38 35.91 2yvj s VAL 100 CO 0.31 0.10 0.25 -0.62 0.00 0.00 0.00 175.10 175.15 2yvj s ASP 101 N 0.13 5.35 0.00 3.32 2.15 -1.13 -0.66 116.67 125.83 2yvj s ASP 101 Ca -0.01 -2.08 0.03 0.00 0.43 0.00 0.00 52.55 50.92 2yvj s ASP 101 Cb -0.04 -1.87 0.15 0.00 -0.30 0.00 0.00 42.92 40.87 2yvj s ASP 101 CO -0.00 -0.56 1.07 0.49 -0.17 0.00 0.00 175.17 176.00 2yvj n PHE 102 N 4.56 0.00 0.00 -5.34 3.01 -1.26 -4.15 117.46 114.28 2yvj n PHE 102 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.44 2yvj n PHE 102 Cb 0.41 -0.45 0.00 0.00 -0.01 0.00 0.00 39.48 39.43 2yvj n PHE 102 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 2yvj n SER 103 N -1.45 0.00 -1.14 4.37 7.64 -1.26 -4.59 113.62 117.18 2yvj n SER 103 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.89 2yvj n SER 103 Cb 0.04 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 2yvj n SER 103 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2yvj n ARG 104 N 0.00 -0.76 -2.67 1.43 0.00 -1.26 -4.79 116.66 108.61 2yvj n ARG 104 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.85 57.43 2yvj n ARG 104 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 32.43 2yvj n ARG 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2yvj s ALA 105 N -0.77 2.93 0.66 5.13 0.00 -1.26 -4.34 121.76 124.11 2yvj s ALA 105 Ca 0.00 -1.39 -0.13 0.00 0.00 0.00 0.00 51.96 50.44 2yvj s ALA 105 Cb 0.00 -4.06 -0.01 0.00 0.00 0.00 0.00 23.12 19.05 2yvj s ALA 105 CO 0.00 -2.95 1.07 0.00 0.00 0.00 0.00 175.76 173.88 2yvj s ALA 106 N 4.98 2.62 0.00 0.00 0.00 0.57 -4.49 121.76 125.44 2yvj s ALA 106 Ca 0.32 0.30 0.00 0.00 0.00 0.00 0.00 51.96 52.58 2yvj s ALA 106 Cb -0.11 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.78 2yvj s ALA 106 CO 0.16 -1.13 0.00 -0.11 0.00 0.00 0.00 175.76 174.68