#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yj9 s TRP 2 N 0.00 3.61 0.14 0.66 1.48 -1.26 -5.09 118.94 118.48 1yj9 s TRP 2 Ca 0.00 0.73 -0.17 0.00 -1.06 0.00 0.00 56.10 55.59 1yj9 s TRP 2 Cb 0.00 -2.10 -0.07 0.00 -1.16 0.00 0.00 33.47 30.13 1yj9 s TRP 2 CO 0.00 0.59 0.60 -0.51 -4.06 0.00 0.00 176.95 173.57 1yj9 s ASP 3 N -1.57 6.96 0.08 -2.66 1.01 -1.26 -5.02 116.67 114.21 1yj9 s ASP 3 Ca 0.28 1.22 -0.16 0.00 0.71 0.00 0.00 52.55 54.60 1yj9 s ASP 3 Cb -0.14 -2.34 -0.10 0.00 1.01 0.00 0.00 42.92 41.34 1yj9 s ASP 3 CO 0.16 0.14 1.39 0.58 0.21 0.00 0.00 175.17 177.64 1yj9 h VAL 4 N 3.01 1.31 -3.47 -1.27 2.07 -1.98 -3.40 116.25 112.52 1yj9 h VAL 4 Ca -0.49 -1.46 -0.63 0.00 0.82 0.00 0.00 66.70 64.94 1yj9 h VAL 4 Cb 1.20 1.69 -0.17 0.00 -1.52 0.00 0.00 31.29 32.49 1yj9 h VAL 4 CO 0.65 0.46 -0.56 -0.63 0.02 0.00 0.00 177.57 177.51 1yj9 s ILE 5 N -4.29 4.84 -0.17 4.57 1.01 -1.26 -2.25 121.20 123.65 1yj9 s ILE 5 Ca -0.13 -0.01 -0.22 0.00 0.00 0.00 0.00 60.65 60.30 1yj9 s ILE 5 Cb 0.08 -3.22 -0.22 0.00 0.01 0.00 0.00 42.46 39.10 1yj9 s ILE 5 CO 0.82 0.40 0.42 0.11 0.00 0.00 0.00 174.94 176.68 1yj9 h LYS 6 N 7.30 0.05 0.00 2.79 1.57 -1.25 -3.48 116.57 123.55 1yj9 h LYS 6 Ca -0.37 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1yj9 h LYS 6 Cb 1.17 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1yj9 h LYS 6 CO 0.66 1.04 0.00 -2.39 -0.57 0.00 0.00 179.45 178.19 1yj9 n HIS 7 N -4.35 0.00 -2.32 -1.35 1.44 -1.03 -5.01 115.22 102.60 1yj9 n HIS 7 Ca -0.25 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.03 1yj9 n HIS 7 Cb 0.69 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.77 1yj9 n HIS 7 CO 0.00 0.00 0.00 -2.14 -2.81 0.00 0.00 176.34 171.39 1yj9 s PRO 8 N -2.00 4.33 -0.70 -1.40 0.02 -1.26 -0.51 135.00 133.49 1yj9 s PRO 8 Ca 0.00 1.85 -0.27 0.00 0.02 0.00 0.00 61.00 62.60 1yj9 s PRO 8 Cb 0.00 -3.50 0.03 0.00 0.02 0.00 0.00 34.50 31.05 1yj9 s PRO 8 CO 0.00 -0.47 1.25 -1.58 -0.33 0.00 0.00 177.00 175.87 1yj9 s HIS 9 N 1.99 2.38 -0.42 6.54 2.46 -0.09 -4.81 115.29 123.35 1yj9 s HIS 9 Ca 0.61 0.06 -0.11 0.00 0.47 0.00 0.00 55.06 56.09 1yj9 s HIS 9 Cb -0.29 -4.59 0.07 0.00 -0.13 0.00 0.00 32.58 27.63 1yj9 s HIS 9 CO 0.26 -1.94 0.27 0.54 -2.47 0.00 0.00 174.74 171.40 1yj9 s VAL 10 N 5.49 4.47 0.18 0.89 0.11 -1.26 -4.59 120.40 125.70 1yj9 s VAL 10 Ca 0.37 -1.23 -0.12 0.00 -2.93 0.00 0.00 61.98 58.07 1yj9 s VAL 10 Cb -0.08 -3.67 0.00 0.00 -1.53 0.00 0.00 36.38 31.10 1yj9 s VAL 10 CO 0.18 -0.46 0.37 0.42 -3.33 0.00 0.00 175.10 172.27 1yj9 s THR 11 N 1.49 0.05 0.18 5.04 -4.23 -1.26 -5.01 115.64 111.89 1yj9 s THR 11 Ca 0.03 -1.24 -0.19 0.00 -1.18 0.00 0.00 61.69 59.11 1yj9 s THR 11 Cb -0.22 -1.83 0.13 0.00 1.34 0.00 0.00 72.50 71.92 1yj9 s THR 11 CO 0.04 -0.21 1.61 -0.33 -0.54 0.00 0.00 174.62 175.19 1yj9 h GLU 12 N 2.41 -0.14 -0.94 3.99 3.07 -1.99 0.22 114.58 121.20 1yj9 h GLU 12 Ca -0.30 0.01 0.04 0.00 -0.50 0.00 0.00 59.36 58.60 1yj9 h GLU 12 Cb 1.24 0.03 -0.05 0.00 -0.84 0.00 0.00 28.75 29.13 1yj9 h GLU 12 CO 0.44 -0.09 0.62 -0.22 -1.40 0.00 0.00 179.01 178.35 1yj9 h LYS 13 N -0.14 1.15 -0.27 2.33 3.64 -1.99 -0.41 116.57 120.88 1yj9 h LYS 13 Ca 0.22 -0.07 -0.08 0.00 -1.27 0.00 0.00 60.65 59.46 1yj9 h LYS 13 Cb 0.50 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 1yj9 h LYS 13 CO -0.58 0.76 -0.17 0.00 -2.27 0.00 0.00 179.45 177.19 1yj9 h ALA 14 N 1.45 1.21 0.24 5.00 0.00 -1.14 -2.68 119.26 123.35 1yj9 h ALA 14 Ca 0.38 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1yj9 h ALA 14 Cb 0.02 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1yj9 h ALA 14 CO -0.12 0.51 -0.11 0.52 0.00 0.00 0.00 179.25 180.05 1yj9 h MET 15 N 0.43 -0.31 -0.37 0.00 2.86 0.93 -1.78 114.93 116.69 1yj9 h MET 15 Ca 0.07 0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.79 1yj9 h MET 15 Cb 0.55 0.07 -0.08 0.00 0.06 0.00 0.00 31.60 32.20 1yj9 h MET 15 CO 0.04 -0.15 -0.53 -0.91 1.06 0.00 0.00 176.91 176.41 1yj9 h ASN 16 N -0.39 -1.76 -1.00 1.22 2.35 -1.05 0.69 115.58 115.64 1yj9 h ASN 16 Ca -0.03 0.23 0.21 0.00 -0.55 0.00 0.00 56.30 56.16 1yj9 h ASN 16 Cb 0.30 0.72 -0.10 0.00 0.05 0.00 0.00 38.32 39.29 1yj9 h ASN 16 CO 0.05 -0.41 0.62 0.44 -1.65 0.00 0.00 177.43 176.48 1yj9 h ASP 17 N -0.41 0.69 0.36 5.81 5.19 -1.40 1.43 116.42 128.09 1yj9 h ASP 17 Ca 0.08 0.09 -0.02 0.00 -0.62 0.00 0.00 57.03 56.57 1yj9 h ASP 17 Cb 0.61 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.09 1yj9 h ASP 17 CO -0.57 0.22 -0.17 -0.03 -3.12 0.00 0.00 179.24 175.57 1yj9 h MET 18 N 0.66 -0.46 0.00 3.56 4.05 0.32 0.34 114.93 123.40 1yj9 h MET 18 Ca 0.57 0.03 0.00 0.00 -0.28 0.00 0.00 59.70 60.03 1yj9 h MET 18 Cb 1.04 0.11 0.00 0.00 -0.80 0.00 0.00 31.60 31.94 1yj9 h MET 18 CO -0.36 -0.14 0.00 -0.25 0.23 0.00 0.00 176.91 176.39 1yj9 n ASP 19 N -5.14 0.22 0.00 1.39 8.00 0.21 -3.11 116.55 118.11 1yj9 n ASP 19 Ca -0.09 0.53 0.00 0.00 0.71 0.00 0.00 54.79 55.94 1yj9 n ASP 19 Cb 0.28 -0.59 0.00 0.00 -0.02 0.00 0.00 41.12 40.79 1yj9 n ASP 19 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1yj9 n PHE 20 N -1.72 0.00 -0.02 1.24 0.99 0.48 -4.82 117.46 113.62 1yj9 n PHE 20 Ca 0.05 0.00 0.01 0.00 -0.00 0.00 0.00 57.45 57.51 1yj9 n PHE 20 Cb 0.30 0.00 0.02 0.00 -1.00 0.00 0.00 39.48 38.79 1yj9 n PHE 20 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1yj9 n GLN 21 N -2.06 2.76 -3.53 -1.08 6.02 0.93 -4.98 117.38 115.45 1yj9 n GLN 21 Ca 0.00 -1.51 -0.21 0.00 -0.01 0.00 0.00 57.00 55.28 1yj9 n GLN 21 Cb 0.47 -1.03 0.08 0.00 1.02 0.00 0.00 30.24 30.78 1yj9 n GLN 21 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1yj9 n ASN 22 N -0.36 -4.36 -4.30 1.08 5.15 -0.10 -4.79 115.26 107.59 1yj9 n ASN 22 Ca 0.01 -0.58 -0.32 0.00 -0.60 0.00 0.00 54.58 53.09 1yj9 n ASN 22 Cb 0.26 -5.06 -0.16 0.00 -0.53 0.00 0.00 39.78 34.29 1yj9 n ASN 22 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1yj9 s LYS 23 N -5.88 2.86 -0.17 1.20 1.02 0.34 -1.63 119.74 117.46 1yj9 s LYS 23 Ca 0.32 -0.83 -0.02 0.00 0.02 0.00 0.00 55.97 55.46 1yj9 s LYS 23 Cb -0.14 -2.33 -0.01 0.00 -0.52 0.00 0.00 37.83 34.83 1yj9 s LYS 23 CO 0.73 0.32 -0.07 -0.51 -0.92 0.00 0.00 175.35 174.90 1yj9 s LEU 24 N 0.01 2.90 -0.11 3.17 1.43 0.29 -1.78 118.68 124.59 1yj9 s LEU 24 Ca -0.07 -0.32 -0.10 0.00 -1.03 0.00 0.00 54.13 52.61 1yj9 s LEU 24 Cb -0.15 -1.70 -0.05 0.00 0.03 0.00 0.00 46.19 44.33 1yj9 s LEU 24 CO 0.05 0.08 0.22 -1.10 0.23 0.00 0.00 176.35 175.83 1yj9 s GLN 25 N 0.85 3.73 0.10 1.70 -0.21 -1.26 0.03 119.66 124.61 1yj9 s GLN 25 Ca -0.02 0.01 0.05 0.00 0.02 0.00 0.00 55.36 55.42 1yj9 s GLN 25 Cb -0.15 -3.25 -0.04 0.00 1.00 0.00 0.00 33.01 30.58 1yj9 s GLN 25 CO 0.01 0.64 -0.12 -0.06 -2.12 0.00 0.00 175.29 173.64 1yj9 s PHE 26 N -0.71 1.22 -0.35 0.91 0.40 0.14 -0.91 117.98 118.68 1yj9 s PHE 26 Ca 0.16 -0.59 -0.12 0.00 -0.60 0.00 0.00 56.93 55.79 1yj9 s PHE 26 Cb -0.13 -0.65 0.00 0.00 0.51 0.00 0.00 43.02 42.75 1yj9 s PHE 26 CO 0.05 0.07 0.21 0.00 0.70 0.00 0.00 175.22 176.26 1yj9 s ALA 27 N -2.17 3.37 0.48 5.36 0.00 0.33 -0.32 121.76 128.81 1yj9 s ALA 27 Ca 0.06 -1.52 0.05 0.00 0.00 0.00 0.00 51.96 50.55 1yj9 s ALA 27 Cb -0.05 -2.59 -0.02 0.00 0.00 0.00 0.00 23.12 20.47 1yj9 s ALA 27 CO 0.02 -1.12 0.16 0.14 0.00 0.00 0.00 175.76 174.95 1yj9 s VAL 28 N 1.64 1.72 0.16 0.00 -7.23 0.39 -0.80 120.40 116.28 1yj9 s VAL 28 Ca 0.04 -1.78 -0.30 0.00 -1.81 0.00 0.00 61.98 58.14 1yj9 s VAL 28 Cb -0.18 -2.50 -0.07 0.00 0.56 0.00 0.00 36.38 34.19 1yj9 s VAL 28 CO 0.08 0.00 1.02 -0.62 -0.31 0.00 0.00 175.10 175.27 1yj9 s ASP 29 N -3.97 7.42 0.21 4.85 -1.08 -0.95 -3.19 116.67 119.96 1yj9 s ASP 29 Ca 0.27 1.95 0.12 0.00 -0.52 0.00 0.00 52.55 54.37 1yj9 s ASP 29 Cb 0.02 -2.60 0.68 0.00 -1.46 0.00 0.00 42.92 39.56 1yj9 s ASP 29 CO 0.15 -0.09 1.34 -0.90 0.52 0.00 0.00 175.17 176.19 1yj9 n ASP 30 N 2.38 0.32 -0.57 -0.34 5.75 -1.26 -1.52 116.55 121.32 1yj9 n ASP 30 Ca 0.02 0.61 0.13 0.00 -0.01 0.00 0.00 54.79 55.54 1yj9 n ASP 30 Cb 0.48 -0.64 0.32 0.00 -1.03 0.00 0.00 41.12 40.25 1yj9 n ASP 30 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1yj9 n ARG 31 N -1.93 1.63 -2.83 0.11 1.74 -1.26 -4.91 116.66 109.22 1yj9 n ARG 31 Ca -0.01 -1.14 -0.41 0.00 -0.77 0.00 0.00 57.85 55.52 1yj9 n ARG 31 Cb 0.10 -1.48 -0.04 0.00 -1.02 0.00 0.00 32.46 30.02 1yj9 n ARG 31 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1yj9 s ALA 32 N -2.15 3.35 0.91 7.54 0.00 -0.58 -5.06 121.76 125.78 1yj9 s ALA 32 Ca 0.30 0.28 -0.14 0.00 0.00 0.00 0.00 51.96 52.40 1yj9 s ALA 32 Cb 0.20 -3.24 0.15 0.00 0.00 0.00 0.00 23.12 20.23 1yj9 s ALA 32 CO 0.39 -0.39 1.24 -1.54 0.00 0.00 0.00 175.76 175.46 1yj9 s SER 33 N 1.02 3.55 0.06 0.00 1.04 -1.26 -4.85 113.70 113.25 1yj9 s SER 33 Ca 0.44 0.54 -0.24 0.00 0.48 0.00 0.00 55.95 57.17 1yj9 s SER 33 Cb -0.18 -0.81 -0.17 0.00 0.10 0.00 0.00 66.02 64.96 1yj9 s SER 33 CO 0.19 -2.49 1.59 0.11 0.98 0.00 0.00 173.24 173.63 1yj9 h LYS 34 N -1.46 -0.03 -0.93 4.02 1.57 -1.97 -1.46 116.57 116.31 1yj9 h LYS 34 Ca -0.46 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.42 1yj9 h LYS 34 Cb 1.28 0.01 -0.07 0.00 0.08 0.00 0.00 32.23 33.53 1yj9 h LYS 34 CO 0.50 0.12 0.57 0.78 -0.57 0.00 0.00 179.45 180.86 1yj9 h GLY 35 N -0.18 1.45 0.76 3.86 0.00 -1.94 0.44 103.07 107.46 1yj9 h GLY 35 Ca -0.00 -0.40 -0.00 0.00 0.00 0.00 0.00 47.33 46.93 1yj9 h GLY 35 CO 0.01 0.21 -0.03 0.83 0.00 0.00 0.00 176.54 177.56 1yj9 h GLU 36 N 0.98 -0.08 -0.90 4.80 5.08 -1.90 -1.15 114.58 121.39 1yj9 h GLU 36 Ca 0.43 0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.92 1yj9 h GLU 36 Cb 0.32 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.52 1yj9 h GLU 36 CO -0.22 0.17 0.58 0.28 -1.00 0.00 0.00 179.01 178.82 1yj9 h VAL 37 N -0.33 0.89 0.76 3.13 2.07 -0.50 -1.54 116.25 120.72 1yj9 h VAL 37 Ca -0.01 -0.27 -0.04 0.00 0.82 0.00 0.00 66.70 67.20 1yj9 h VAL 37 Cb 0.29 0.03 0.01 0.00 -1.52 0.00 0.00 31.29 30.09 1yj9 h VAL 37 CO 0.01 0.14 -0.37 0.00 0.02 0.00 0.00 177.57 177.38 1yj9 h ALA 38 N 1.58 -1.27 -0.35 1.67 0.00 0.38 -2.77 119.26 118.49 1yj9 h ALA 38 Ca 0.44 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1yj9 h ALA 38 Cb 0.59 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1yj9 h ALA 38 CO -0.21 -1.20 0.00 -0.25 0.00 0.00 0.00 179.25 177.59 1yj9 n ASP 39 N -4.76 0.00 -0.18 0.00 8.00 -0.48 -1.92 116.55 117.20 1yj9 n ASP 39 Ca -0.13 0.94 0.10 0.00 0.71 0.00 0.00 54.79 56.41 1yj9 n ASP 39 Cb 0.40 -0.44 0.19 0.00 -0.02 0.00 0.00 41.12 41.25 1yj9 n ASP 39 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1yj9 n ALA 40 N -2.34 0.33 0.01 2.24 0.00 -0.62 0.51 120.51 120.65 1yj9 n ALA 40 Ca 0.00 0.56 -0.13 0.00 0.00 0.00 0.00 53.44 53.87 1yj9 n ALA 40 Cb 0.00 -0.44 -0.09 0.00 0.00 0.00 0.00 19.45 18.92 1yj9 n ALA 40 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1yj9 h VAL 41 N 0.00 1.26 0.00 0.00 2.07 -1.08 -1.27 116.25 117.22 1yj9 h VAL 41 Ca 0.35 -0.92 0.00 0.00 0.82 0.00 0.00 66.70 66.95 1yj9 h VAL 41 Cb 0.77 1.87 0.00 0.00 -1.52 0.00 0.00 31.29 32.41 1yj9 h VAL 41 CO -0.47 0.23 0.14 -0.33 0.02 0.00 0.00 177.57 177.16 1yj9 h GLU 42 N -0.44 0.00 0.00 1.57 5.08 0.69 -2.01 114.58 119.46 1yj9 h GLU 42 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1yj9 h GLU 42 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1yj9 h GLU 42 CO 0.01 0.00 -0.34 0.39 -1.00 0.00 0.00 179.01 178.06 1yj9 n GLU 43 N -2.77 0.27 0.06 2.33 1.02 -0.86 -1.62 120.64 119.08 1yj9 n GLU 43 Ca -0.02 0.38 0.04 0.00 -0.02 0.00 0.00 57.16 57.53 1yj9 n GLU 43 Cb 0.19 -1.28 0.22 0.00 -0.02 0.00 0.00 31.44 30.56 1yj9 n GLU 43 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1yj9 n GLN 44 N -3.66 0.05 0.00 3.49 1.13 -0.50 -2.68 117.38 115.21 1yj9 n GLN 44 Ca -0.05 0.53 0.00 0.00 -1.94 0.00 0.00 57.00 55.55 1yj9 n GLN 44 Cb 0.18 -1.70 0.00 0.00 0.11 0.00 0.00 30.24 28.82 1yj9 n GLN 44 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1yj9 n TYR 45 N -1.77 0.00 -2.81 1.08 4.02 -0.76 -5.09 117.16 111.83 1yj9 n TYR 45 Ca -0.01 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 57.81 1yj9 n TYR 45 Cb 0.05 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.37 1yj9 n TYR 45 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1yj9 n ASP 46 N -0.77 -7.82 -1.03 7.72 -0.08 -0.64 -5.03 116.55 108.89 1yj9 n ASP 46 Ca 0.00 0.58 -0.00 0.00 -1.51 0.00 0.00 54.79 53.85 1yj9 n ASP 46 Cb 0.00 -5.29 0.00 0.00 2.34 0.00 0.00 41.12 38.17 1yj9 n ASP 46 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 1yj9 n VAL 47 N -0.25 0.00 -4.10 5.18 0.24 -1.16 -5.03 118.33 113.21 1yj9 n VAL 47 Ca 0.11 -0.02 -0.33 0.00 -2.04 0.00 0.00 64.34 62.06 1yj9 n VAL 47 Cb 0.42 0.02 -0.16 0.00 -1.47 0.00 0.00 33.84 32.65 1yj9 n VAL 47 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1yj9 s THR 48 N -2.80 2.16 -0.21 3.34 2.01 -1.26 -4.69 115.64 114.19 1yj9 s THR 48 Ca 0.00 -1.01 -0.20 0.00 0.31 0.00 0.00 61.69 60.79 1yj9 s THR 48 Cb -0.00 -1.96 -0.02 0.00 0.01 0.00 0.00 72.50 70.52 1yj9 s THR 48 CO 0.00 0.45 0.62 -0.69 -0.69 0.00 0.00 174.62 174.31 1yj9 s VAL 49 N 1.28 5.02 -0.17 3.82 1.01 -1.26 0.00 120.40 130.10 1yj9 s VAL 49 Ca 0.03 1.15 -0.16 0.00 0.00 0.00 0.00 61.98 63.01 1yj9 s VAL 49 Cb -0.14 -3.93 -0.12 0.00 0.00 0.00 0.00 36.38 32.19 1yj9 s VAL 49 CO -0.11 0.09 0.09 -0.33 0.00 0.00 0.00 175.10 174.84 1yj9 h GLU 50 N 7.59 0.00 -3.16 2.72 4.39 -1.13 -3.46 114.58 121.54 1yj9 h GLU 50 Ca -0.30 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.29 1yj9 h GLU 50 Cb 1.14 0.00 -0.19 0.00 -0.10 0.00 0.00 28.75 29.60 1yj9 h GLU 50 CO 0.77 0.53 -0.27 -1.14 -1.16 0.00 0.00 179.01 177.75 1yj9 s GLN 51 N -2.24 0.73 -0.04 2.33 0.74 -1.16 -5.02 119.66 115.00 1yj9 s GLN 51 Ca -0.20 -0.33 -0.01 0.00 0.05 0.00 0.00 55.36 54.87 1yj9 s GLN 51 Cb 0.03 0.32 0.03 0.00 1.10 0.00 0.00 33.01 34.49 1yj9 s GLN 51 CO 0.41 -0.22 0.02 0.08 -0.55 0.00 0.00 175.29 175.03 1yj9 s VAL 52 N -1.87 0.12 -0.03 1.34 1.01 -1.26 -0.66 120.40 119.04 1yj9 s VAL 52 Ca -0.10 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.09 1yj9 s VAL 52 Cb -0.03 -0.28 -0.03 0.00 0.00 0.00 0.00 36.38 36.04 1yj9 s VAL 52 CO 0.01 0.17 0.00 0.20 0.00 0.00 0.00 175.10 175.49 1yj9 s ASN 53 N 1.56 5.17 0.25 3.32 0.01 0.15 -4.94 114.94 120.46 1yj9 s ASN 53 Ca -0.02 0.05 0.09 0.00 -0.71 0.00 0.00 52.86 52.26 1yj9 s ASN 53 Cb -0.13 -1.39 -0.05 0.00 0.41 0.00 0.00 41.25 40.09 1yj9 s ASN 53 CO -0.03 0.31 -0.14 0.42 -1.51 0.00 0.00 177.10 176.16 1yj9 s THR 54 N -1.02 1.94 -0.26 1.60 -4.23 -1.26 0.26 115.64 112.67 1yj9 s THR 54 Ca 0.17 -2.24 -0.15 0.00 -1.18 0.00 0.00 61.69 58.29 1yj9 s THR 54 Cb -0.11 -2.24 0.08 0.00 1.34 0.00 0.00 72.50 71.56 1yj9 s THR 54 CO 0.08 -0.46 0.65 -1.58 -0.54 0.00 0.00 174.62 172.77 1yj9 s GLN 55 N -3.63 0.67 -0.49 3.99 0.74 0.33 -4.98 119.66 116.29 1yj9 s GLN 55 Ca 0.27 1.16 -0.24 0.00 0.05 0.00 0.00 55.36 56.59 1yj9 s GLN 55 Cb -0.01 0.13 0.03 0.00 1.10 0.00 0.00 33.01 34.27 1yj9 s GLN 55 CO 0.11 -0.15 0.87 -0.80 -0.55 0.00 0.00 175.29 174.76 1yj9 s ASN 56 N 1.54 6.40 0.57 6.67 0.01 -1.26 0.41 114.94 129.27 1yj9 s ASN 56 Ca -0.09 -0.17 -0.17 0.00 -0.71 0.00 0.00 52.86 51.71 1yj9 s ASN 56 Cb -0.05 -2.41 -0.05 0.00 0.41 0.00 0.00 41.25 39.14 1yj9 s ASN 56 CO -0.18 -1.05 1.07 -0.89 -1.51 0.00 0.00 177.10 174.54 1yj9 s THR 57 N 3.60 3.64 -1.23 1.60 2.01 0.11 -4.89 115.64 120.47 1yj9 s THR 57 Ca 0.31 0.87 0.00 0.00 0.31 0.00 0.00 61.69 63.18 1yj9 s THR 57 Cb -0.12 -3.35 0.00 0.00 0.01 0.00 0.00 72.50 69.04 1yj9 s THR 57 CO 0.22 -0.37 0.33 0.23 -0.69 0.00 0.00 174.62 174.34 1yj9 n MET 58 N -1.70 0.54 -0.02 4.92 2.81 -1.26 -1.45 117.12 120.96 1yj9 n MET 58 Ca 0.09 0.00 0.05 0.00 -1.81 0.00 0.00 57.70 56.03 1yj9 n MET 58 Cb 0.52 -1.21 0.05 0.00 -0.71 0.00 0.00 33.22 31.88 1yj9 n MET 58 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1yj9 n ASP 59 N 0.06 1.88 0.00 7.83 10.43 -1.26 -4.96 116.55 130.53 1yj9 n ASP 59 Ca 0.00 -1.45 0.00 0.00 2.57 0.00 0.00 54.79 55.91 1yj9 n ASP 59 Cb 0.10 -0.02 0.00 0.00 1.84 0.00 0.00 41.12 43.04 1yj9 n ASP 59 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1yj9 n GLY 60 N 0.50 0.69 3.44 0.44 0.00 -0.53 -5.03 105.19 104.70 1yj9 n GLY 60 Ca 0.06 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.84 1yj9 n GLY 60 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1yj9 s GLU 61 N -0.23 1.60 -0.22 1.61 2.02 -1.25 -4.91 118.70 117.32 1yj9 s GLU 61 Ca 0.00 -1.70 -0.09 0.00 0.02 0.00 0.00 54.97 53.20 1yj9 s GLU 61 Cb 0.00 -1.69 -0.04 0.00 0.10 0.00 0.00 34.13 32.49 1yj9 s GLU 61 CO 0.00 0.32 0.11 0.21 0.02 0.00 0.00 175.26 175.92 1yj9 s LYS 62 N -3.38 3.94 -0.05 1.61 2.20 -1.19 0.05 119.74 122.92 1yj9 s LYS 62 Ca 0.27 -0.34 -0.09 0.00 -0.36 0.00 0.00 55.97 55.45 1yj9 s LYS 62 Cb -0.05 -3.38 -0.05 0.00 -1.51 0.00 0.00 37.83 32.84 1yj9 s LYS 62 CO 0.13 0.07 0.25 0.21 -0.36 0.00 0.00 175.35 175.65 1yj9 s LYS 63 N 0.97 3.61 -0.06 4.03 2.20 0.16 -0.46 119.74 130.18 1yj9 s LYS 63 Ca 0.05 0.04 0.02 0.00 -0.36 0.00 0.00 55.97 55.72 1yj9 s LYS 63 Cb -0.14 -3.17 0.01 0.00 -1.51 0.00 0.00 37.83 33.03 1yj9 s LYS 63 CO 0.03 0.72 -0.12 0.00 -0.36 0.00 0.00 175.35 175.63 1yj9 s ALA 64 N -1.12 1.23 -0.33 3.13 0.00 0.57 -0.52 121.76 124.71 1yj9 s ALA 64 Ca 0.21 -0.39 -0.10 0.00 0.00 0.00 0.00 51.96 51.68 1yj9 s ALA 64 Cb -0.14 -0.56 0.01 0.00 0.00 0.00 0.00 23.12 22.43 1yj9 s ALA 64 CO 0.10 0.10 0.17 0.08 0.00 0.00 0.00 175.76 176.20 1yj9 s VAL 65 N 0.69 4.51 -0.16 0.00 1.01 0.14 0.26 120.40 126.85 1yj9 s VAL 65 Ca -0.14 -0.64 -0.03 0.00 0.00 0.00 0.00 61.98 61.17 1yj9 s VAL 65 Cb -0.16 -3.39 -0.02 0.00 0.00 0.00 0.00 36.38 32.81 1yj9 s VAL 65 CO 0.03 -0.06 -0.05 -0.69 0.00 0.00 0.00 175.10 174.34 1yj9 s VAL 66 N 1.57 3.74 -0.19 2.92 1.01 0.10 -0.68 120.40 128.89 1yj9 s VAL 66 Ca 0.03 -0.41 -0.05 0.00 0.00 0.00 0.00 61.98 61.55 1yj9 s VAL 66 Cb -0.18 -2.64 -0.03 0.00 0.00 0.00 0.00 36.38 33.53 1yj9 s VAL 66 CO 0.06 0.49 0.01 -0.60 0.00 0.00 0.00 175.10 175.05 1yj9 s ARG 67 N 0.47 3.71 0.55 2.72 3.52 0.16 0.11 118.95 130.19 1yj9 s ARG 67 Ca -0.04 -0.48 -0.07 0.00 -0.13 0.00 0.00 55.73 55.00 1yj9 s ARG 67 Cb -0.14 -3.07 -0.03 0.00 -1.56 0.00 0.00 34.95 30.15 1yj9 s ARG 67 CO 0.03 0.13 0.89 -0.51 -0.81 0.00 0.00 175.30 175.03 1yj9 s LEU 68 N 0.70 3.41 0.85 -0.88 1.43 -0.65 -0.64 118.68 122.91 1yj9 s LEU 68 Ca 0.00 1.05 -0.11 0.00 -1.03 0.00 0.00 54.13 54.05 1yj9 s LEU 68 Cb -0.14 -4.01 0.11 0.00 0.03 0.00 0.00 46.19 42.18 1yj9 s LEU 68 CO 0.02 -0.78 1.10 -0.94 0.23 0.00 0.00 176.35 175.98 1yj9 s SER 69 N -4.17 3.75 0.60 2.29 1.04 0.10 -4.61 113.70 112.70 1yj9 s SER 69 Ca 0.51 1.74 0.29 0.00 0.48 0.00 0.00 55.95 58.98 1yj9 s SER 69 Cb -0.11 -2.39 1.67 0.00 0.10 0.00 0.00 66.02 65.29 1yj9 s SER 69 CO 0.48 -2.50 2.08 -0.33 0.98 0.00 0.00 173.24 173.95 1yj9 h GLU 70 N -1.45 0.00 0.57 4.02 5.08 -1.97 -2.92 114.58 117.90 1yj9 h GLU 70 Ca -0.46 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 57.87 1yj9 h GLU 70 Cb 1.26 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.51 1yj9 h GLU 70 CO 0.51 0.00 -0.27 -0.44 -1.00 0.00 0.00 179.01 177.81 1yj9 h ASP 71 N 0.00 -0.64 -4.22 1.42 3.32 -1.96 -3.44 116.42 110.89 1yj9 h ASP 71 Ca 0.09 0.02 -0.51 0.00 0.02 0.00 0.00 57.03 56.65 1yj9 h ASP 71 Cb 0.55 0.17 0.12 0.00 0.22 0.00 0.00 39.33 40.39 1yj9 h ASP 71 CO -0.00 -0.37 0.36 -1.81 -1.72 0.00 0.00 179.24 175.70 1yj9 s ASP 72 N -3.84 4.67 -0.17 6.45 1.01 -1.10 -5.04 116.67 118.64 1yj9 s ASP 72 Ca -0.11 2.04 0.01 0.00 0.71 0.00 0.00 52.55 55.19 1yj9 s ASP 72 Cb 0.01 -2.55 0.03 0.00 1.01 0.00 0.00 42.92 41.42 1yj9 s ASP 72 CO 0.33 -1.93 -0.14 -0.62 0.21 0.00 0.00 175.17 173.02 1yj9 s ASP 73 N -2.66 3.04 0.17 0.27 -1.08 -1.26 -4.69 116.67 110.46 1yj9 s ASP 73 Ca 0.67 -0.67 -0.21 0.00 -0.52 0.00 0.00 52.55 51.82 1yj9 s ASP 73 Cb -0.21 -1.26 0.09 0.00 -1.46 0.00 0.00 42.92 40.07 1yj9 s ASP 73 CO 0.46 -0.08 1.60 0.00 0.52 0.00 0.00 175.17 177.68 1yj9 h ALA 74 N 8.00 -0.08 -0.17 3.66 0.00 -1.83 -0.77 119.26 128.07 1yj9 h ALA 74 Ca -0.36 0.13 0.05 0.00 0.00 0.00 0.00 54.91 54.73 1yj9 h ALA 74 Cb 1.12 0.67 -0.06 0.00 0.00 0.00 0.00 17.79 19.52 1yj9 h ALA 74 CO 0.53 -0.67 -0.20 1.96 0.00 0.00 0.00 179.25 180.87 1yj9 h GLN 75 N -0.21 -0.22 -0.46 0.00 4.20 -1.94 -0.96 115.11 115.51 1yj9 h GLN 75 Ca 0.19 0.02 0.07 0.00 0.06 0.00 0.00 58.65 58.99 1yj9 h GLN 75 Cb 0.52 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.33 1yj9 h GLN 75 CO -0.56 -0.15 0.31 0.93 -0.67 0.00 0.00 178.83 178.70 1yj9 h GLU 76 N -0.23 0.33 0.15 1.46 5.08 -1.75 -1.08 114.58 118.54 1yj9 h GLU 76 Ca 0.11 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 1yj9 h GLU 76 Cb 0.40 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1yj9 h GLU 76 CO -0.30 0.22 -0.07 0.28 -1.00 0.00 0.00 179.01 178.13 1yj9 h VAL 77 N 0.34 0.00 -1.06 3.13 2.07 -0.31 -3.31 116.25 117.10 1yj9 h VAL 77 Ca 0.21 -0.37 0.31 0.00 0.82 0.00 0.00 66.70 67.66 1yj9 h VAL 77 Cb 0.38 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.10 1yj9 h VAL 77 CO -0.05 0.00 0.76 0.00 0.02 0.00 0.00 177.57 178.30 1yj9 h ALA 78 N -1.54 2.96 -0.69 1.67 0.00 -1.14 -2.23 119.26 118.30 1yj9 h ALA 78 Ca -0.02 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 54.94 1yj9 h ALA 78 Cb 0.16 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 17.96 1yj9 h ALA 78 CO 0.03 -1.27 0.35 0.66 0.00 0.00 0.00 179.25 179.02 1yj9 h SER 79 N 0.02 0.47 0.24 0.00 4.64 -1.28 -2.81 113.55 114.83 1yj9 h SER 79 Ca 0.51 0.05 -0.05 0.00 -0.47 0.00 0.00 61.79 61.83 1yj9 h SER 79 Cb 2.00 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 64.05 1yj9 h SER 79 CO -0.02 0.28 -0.25 0.08 -0.87 0.00 0.00 176.83 176.05 1yj9 h ARG 80 N 0.61 0.01 -0.02 4.77 0.11 -1.55 -3.52 114.38 114.79 1yj9 h ARG 80 Ca 0.33 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.41 1yj9 h ARG 80 Cb 0.32 -0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.40 1yj9 h ARG 80 CO -0.25 0.26 0.00 0.44 0.10 0.00 0.00 179.97 180.52