#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ys8 n SER 2 N 0.00 2.00 -4.59 1.61 7.64 -1.26 -4.98 113.62 114.04 2ys8 n SER 2 Ca 0.00 0.17 -0.25 0.00 1.01 0.00 0.00 58.87 59.81 2ys8 n SER 2 Cb 0.00 -0.74 -0.08 0.00 -1.01 0.00 0.00 64.21 62.37 2ys8 n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2ys8 s SER 3 N -6.94 4.29 -1.55 6.43 1.04 -1.26 -5.03 113.70 110.68 2ys8 s SER 3 Ca -0.30 -0.67 -0.10 0.00 0.48 0.00 0.00 55.95 55.36 2ys8 s SER 3 Cb 0.09 -0.72 -0.03 0.00 0.10 0.00 0.00 66.02 65.46 2ys8 s SER 3 CO 0.63 0.05 2.75 0.61 0.98 0.00 0.00 173.24 178.26 2ys8 n GLY 4 N -0.47 4.45 0.41 7.32 0.00 -1.26 -4.76 105.19 110.88 2ys8 n GLY 4 Ca -0.08 -1.62 -0.08 0.00 0.00 0.00 0.00 46.02 44.24 2ys8 n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2ys8 h SER 5 N 5.08 -1.84 -4.95 1.61 0.87 -2.00 -3.44 113.55 108.88 2ys8 h SER 5 Ca 0.80 0.31 -0.02 0.00 -1.23 0.00 0.00 61.79 61.65 2ys8 h SER 5 Cb 0.34 0.85 -0.15 0.00 -0.44 0.00 0.00 62.40 63.00 2ys8 h SER 5 CO 1.75 -0.27 0.24 -0.94 -0.53 0.00 0.00 176.83 177.07 2ys8 s SER 6 N -5.39 -0.58 0.00 6.23 1.04 -1.26 -5.10 113.70 108.65 2ys8 s SER 6 Ca -0.13 0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.52 2ys8 s SER 6 Cb 0.14 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.82 2ys8 s SER 6 CO 0.65 -0.82 0.00 0.61 0.98 0.00 0.00 173.24 174.67 2ys8 n GLY 7 N 0.04 2.78 3.84 7.32 0.00 -1.26 -4.95 105.19 112.96 2ys8 n GLY 7 Ca -0.17 -0.80 -0.28 0.00 0.00 0.00 0.00 46.02 44.78 2ys8 n GLY 7 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ys8 n SER 8 N 0.00 -4.56 -0.08 1.61 3.41 -1.26 -4.91 113.62 107.83 2ys8 n SER 8 Ca 0.00 -0.75 -0.07 0.00 -0.26 0.00 0.00 58.87 57.80 2ys8 n SER 8 Cb 0.00 -4.09 -0.02 0.00 -0.26 0.00 0.00 64.21 59.83 2ys8 n SER 8 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2ys8 n SER 9 N -2.89 1.82 -0.10 4.04 7.64 -1.26 -4.79 113.62 118.08 2ys8 n SER 9 Ca -0.01 0.46 -0.22 0.00 1.01 0.00 0.00 58.87 60.11 2ys8 n SER 9 Cb 0.55 -0.79 -0.12 0.00 -1.01 0.00 0.00 64.21 62.84 2ys8 n SER 9 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ys8 n ALA 10 N -4.04 0.81 -2.32 -0.43 0.00 -1.26 -5.00 120.51 108.28 2ys8 n ALA 10 Ca -0.11 -0.53 -0.25 0.00 0.00 0.00 0.00 53.44 52.56 2ys8 n ALA 10 Cb 0.39 -0.54 0.01 0.00 0.00 0.00 0.00 19.45 19.31 2ys8 n ALA 10 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2ys8 s SER 11 N -6.90 4.72 0.30 0.00 0.01 -1.26 -4.75 113.70 105.81 2ys8 s SER 11 Ca -0.29 -1.18 0.08 0.00 1.31 0.00 0.00 55.95 55.88 2ys8 s SER 11 Cb 0.06 0.43 -0.04 0.00 0.21 0.00 0.00 66.02 66.68 2ys8 s SER 11 CO 0.60 -1.17 0.11 0.72 0.41 0.00 0.00 173.24 173.91 2ys8 s PHE 12 N -2.76 2.79 0.63 2.43 -0.71 -1.26 -4.30 117.98 114.80 2ys8 s PHE 12 Ca 0.39 -0.27 0.04 0.00 -1.04 0.00 0.00 56.93 56.05 2ys8 s PHE 12 Cb -0.03 -1.45 0.10 0.00 -1.21 0.00 0.00 43.02 40.43 2ys8 s PHE 12 CO 0.25 0.46 0.87 0.95 -1.34 0.00 0.00 175.22 176.41 2ys8 s THR 13 N -2.33 2.25 0.06 -4.49 -4.23 -1.26 -5.00 115.64 100.64 2ys8 s THR 13 Ca 0.35 -0.78 -0.29 0.00 -1.18 0.00 0.00 61.69 59.79 2ys8 s THR 13 Cb -0.05 -2.48 -0.18 0.00 1.34 0.00 0.00 72.50 71.14 2ys8 s THR 13 CO 0.22 0.00 1.58 0.11 -0.54 0.00 0.00 174.62 175.99 2ys8 h LYS 14 N -0.13 -0.61 -0.80 3.99 1.79 -2.01 -3.03 116.57 115.77 2ys8 h LYS 14 Ca -0.35 0.04 0.12 0.00 -2.18 0.00 0.00 60.65 58.29 2ys8 h LYS 14 Cb 1.28 0.14 -0.13 0.00 -1.58 0.00 0.00 32.23 31.94 2ys8 h LYS 14 CO 0.42 -0.38 -0.32 0.39 -1.08 0.00 0.00 179.45 178.48 2ys8 n GLU 15 N -5.34 -0.19 0.24 3.15 -0.58 -1.26 0.07 120.64 116.72 2ys8 n GLU 15 Ca -0.12 1.24 -0.17 0.00 -0.42 0.00 0.00 57.16 57.69 2ys8 n GLU 15 Cb 0.28 -1.84 -0.10 0.00 -0.57 0.00 0.00 31.44 29.22 2ys8 n GLU 15 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 2ys8 h GLN 16 N 0.00 -0.88 0.15 3.49 4.20 -1.85 -0.35 115.11 119.87 2ys8 h GLN 16 Ca 0.27 0.06 0.01 0.00 0.06 0.00 0.00 58.65 59.06 2ys8 h GLN 16 Cb 0.48 0.20 -0.04 0.00 0.30 0.00 0.00 27.48 28.41 2ys8 h GLN 16 CO -0.80 -0.59 -0.45 0.00 -0.67 0.00 0.00 178.83 176.32 2ys8 h ALA 17 N -0.84 -0.84 -0.42 3.87 0.00 -0.60 0.53 119.26 120.96 2ys8 h ALA 17 Ca -0.05 -0.09 0.12 0.00 0.00 0.00 0.00 54.91 54.89 2ys8 h ALA 17 Cb 0.82 0.75 -0.02 0.00 0.00 0.00 0.00 17.79 19.34 2ys8 h ALA 17 CO -0.12 -1.04 0.54 -0.44 0.00 0.00 0.00 179.25 178.19 2ys8 h ASP 18 N -0.71 0.00 -0.06 0.00 3.32 -0.26 0.82 116.42 119.53 2ys8 h ASP 18 Ca 0.01 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.98 2ys8 h ASP 18 Cb 0.72 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.27 2ys8 h ASP 18 CO -0.24 0.00 -0.26 0.00 -1.72 0.00 0.00 179.24 177.02 2ys8 h ALA 19 N 1.31 0.12 0.14 3.45 0.00 0.90 -3.10 119.26 122.07 2ys8 h ALA 19 Ca 0.20 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 2ys8 h ALA 19 Cb 1.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2ys8 h ALA 19 CO -0.00 0.13 -0.07 0.82 0.00 0.00 0.00 179.25 180.13 2ys8 h ILE 20 N -0.22 0.92 -0.99 0.00 5.03 -0.29 -0.76 117.51 121.20 2ys8 h ILE 20 Ca -0.01 -0.22 0.26 0.00 -0.12 0.00 0.00 64.86 64.77 2ys8 h ILE 20 Cb 0.90 1.05 -0.06 0.00 -3.03 0.00 0.00 36.82 35.68 2ys8 h ILE 20 CO 0.05 0.05 0.67 0.08 -0.68 0.00 0.00 178.15 178.33 2ys8 h ARG 21 N -0.29 0.21 0.02 2.37 0.11 -1.52 -1.32 114.38 113.97 2ys8 h ARG 21 Ca -0.02 -0.01 -0.00 0.00 0.10 0.00 0.00 59.98 60.05 2ys8 h ARG 21 Cb 0.23 -0.05 0.00 0.00 1.11 0.00 0.00 29.97 31.26 2ys8 h ARG 21 CO 0.03 0.14 -0.01 0.00 0.10 0.00 0.00 179.97 180.23 2ys8 h ARG 22 N 0.22 -0.03 -0.49 0.08 3.08 -1.37 -3.13 114.38 112.75 2ys8 h ARG 22 Ca 0.51 0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.65 2ys8 h ARG 22 Cb 1.60 0.01 -0.10 0.00 0.08 0.00 0.00 29.97 31.56 2ys8 h ARG 22 CO -0.14 0.71 -0.38 0.82 -1.07 0.00 0.00 179.97 179.92 2ys8 h ILE 23 N -0.92 0.15 -0.04 2.04 2.04 -0.08 2.07 117.51 122.77 2ys8 h ILE 23 Ca -0.00 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.87 2ys8 h ILE 23 Cb 0.75 0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 36.98 2ys8 h ILE 23 CO 0.00 0.00 0.05 0.08 0.00 0.00 0.00 178.15 178.28 2ys8 h ARG 24 N -0.25 0.00 -0.27 2.37 0.11 -1.47 0.08 114.38 114.96 2ys8 h ARG 24 Ca 0.18 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.26 2ys8 h ARG 24 Cb 0.56 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.64 2ys8 h ARG 24 CO -0.62 0.00 0.00 0.09 0.10 0.00 0.00 179.97 179.54 2ys8 n ASN 25 N -3.79 3.54 -4.72 0.08 3.02 0.20 -5.01 115.26 108.58 2ys8 n ASN 25 Ca -0.02 -2.72 -0.42 0.00 -0.03 0.00 0.00 54.58 51.39 2ys8 n ASN 25 Cb 0.14 -0.45 -0.03 0.00 -0.61 0.00 0.00 39.78 38.83 2ys8 n ASN 25 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2ys8 s SER 26 N -1.69 7.11 0.40 6.41 0.01 0.64 -4.92 113.70 121.66 2ys8 s SER 26 Ca 0.36 2.07 0.07 0.00 1.31 0.00 0.00 55.95 59.76 2ys8 s SER 26 Cb 0.27 -2.59 0.83 0.00 0.21 0.00 0.00 66.02 64.75 2ys8 s SER 26 CO 0.10 -0.41 2.04 0.11 0.41 0.00 0.00 173.24 175.50 2ys8 h LYS 27 N 6.19 0.58 -2.63 12.44 1.79 -1.88 -3.46 116.57 129.61 2ys8 h LYS 27 Ca -0.43 -0.03 0.12 0.00 -2.18 0.00 0.00 60.65 58.13 2ys8 h LYS 27 Cb 1.21 -0.13 -0.05 0.00 -1.58 0.00 0.00 32.23 31.68 2ys8 h LYS 27 CO 0.78 0.38 0.42 -0.51 -1.08 0.00 0.00 179.45 179.45 2ys8 s ASP 28 N -6.60 -0.12 0.28 0.86 1.01 -1.26 -5.02 116.67 105.81 2ys8 s ASP 28 Ca -0.09 -0.64 0.01 0.00 0.71 0.00 0.00 52.55 52.55 2ys8 s ASP 28 Cb 0.18 0.60 0.64 0.00 1.01 0.00 0.00 42.92 45.34 2ys8 s ASP 28 CO 0.74 -1.15 1.71 0.28 0.21 0.00 0.00 175.17 176.96 2ys8 h SER 29 N 2.00 0.33 -1.00 0.27 0.02 -1.93 0.16 113.55 113.40 2ys8 h SER 29 Ca -0.25 0.14 0.21 0.00 -0.84 0.00 0.00 61.79 61.05 2ys8 h SER 29 Cb 1.23 0.11 -0.11 0.00 0.14 0.00 0.00 62.40 63.77 2ys8 h SER 29 CO 0.30 0.05 0.61 -0.50 -1.14 0.00 0.00 176.83 176.14 2ys8 h TRP 30 N 0.44 1.05 -0.27 3.45 -0.00 -1.95 0.46 115.95 119.13 2ys8 h TRP 30 Ca 0.51 0.03 -0.10 0.00 -0.00 0.00 0.00 58.89 59.34 2ys8 h TRP 30 Cb 0.90 -0.31 -0.01 0.00 -0.00 0.00 0.00 29.16 29.75 2ys8 h TRP 30 CO -0.14 0.16 -0.21 0.22 -0.00 0.00 0.00 178.44 178.47 2ys8 h ASP 31 N 0.68 0.65 0.35 -3.49 1.82 -0.96 0.59 116.42 116.06 2ys8 h ASP 31 Ca 0.61 -0.45 -0.02 0.00 -0.39 0.00 0.00 57.03 56.78 2ys8 h ASP 31 Cb 1.05 -0.18 0.00 0.00 0.68 0.00 0.00 39.33 40.88 2ys8 h ASP 31 CO -0.42 0.96 -0.17 0.24 -1.61 0.00 0.00 179.24 178.24 2ys8 h MET 32 N 0.34 -0.45 0.00 0.28 2.86 -0.66 -3.14 114.93 114.16 2ys8 h MET 32 Ca 0.05 0.03 -0.05 0.00 -2.06 0.00 0.00 59.70 57.67 2ys8 h MET 32 Cb 0.75 0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.51 2ys8 h MET 32 CO 0.05 -0.30 -0.24 -0.07 1.06 0.00 0.00 176.91 177.41 2ys8 h LEU 33 N -0.50 0.00 -0.93 1.22 3.38 -1.13 -3.47 115.31 113.89 2ys8 h LEU 33 Ca -0.05 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 2ys8 h LEU 33 Cb 0.36 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.12 2ys8 h LEU 33 CO 0.08 0.24 -0.05 0.61 0.09 0.00 0.00 178.44 179.41 2ys8 n GLY 34 N -0.63 0.83 3.16 0.83 0.00 0.20 -4.76 105.19 104.81 2ys8 n GLY 34 Ca -0.02 -0.63 -0.22 0.00 0.00 0.00 0.00 46.02 45.16 2ys8 n GLY 34 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2ys8 s VAL 35 N -2.97 1.24 0.75 1.61 -7.23 -0.55 -5.00 120.40 108.24 2ys8 s VAL 35 Ca 0.04 -0.97 -0.15 0.00 -1.81 0.00 0.00 61.98 59.09 2ys8 s VAL 35 Cb -0.02 -1.09 0.04 0.00 0.56 0.00 0.00 36.38 35.87 2ys8 s VAL 35 CO 0.05 0.11 1.21 2.29 -0.31 0.00 0.00 175.10 178.45 2ys8 n LYS 36 N 2.05 0.53 0.01 4.82 0.00 -1.26 -4.43 118.16 119.88 2ys8 n LYS 36 Ca -0.17 0.25 0.07 0.00 -0.00 0.00 0.00 58.31 58.46 2ys8 n LYS 36 Cb 0.54 -2.45 0.32 0.00 -0.00 0.00 0.00 35.03 33.45 2ys8 n LYS 36 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 2ys8 n PRO 37 N -2.67 0.01 -0.89 -1.58 -0.04 -1.26 -2.45 135.00 126.12 2ys8 n PRO 37 Ca 0.14 0.27 0.03 0.00 -0.04 0.00 0.00 63.50 63.90 2ys8 n PRO 37 Cb 0.49 -1.53 0.36 0.00 -0.04 0.00 0.00 33.50 32.78 2ys8 n PRO 37 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ys8 n GLY 38 N -0.03 3.37 3.96 0.55 0.00 -1.26 -4.98 105.19 106.80 2ys8 n GLY 38 Ca 0.03 -0.97 -0.27 0.00 0.00 0.00 0.00 46.02 44.81 2ys8 n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ys8 s ALA 39 N -2.87 2.81 0.39 4.61 0.00 -1.03 -5.12 121.76 120.56 2ys8 s ALA 39 Ca 0.54 -1.45 0.05 0.00 0.00 0.00 0.00 51.96 51.10 2ys8 s ALA 39 Cb 0.42 -2.45 -0.06 0.00 0.00 0.00 0.00 23.12 21.02 2ys8 s ALA 39 CO 0.14 -2.09 0.04 -1.12 0.00 0.00 0.00 175.76 172.73 2ys8 s SER 40 N -4.85 3.26 0.20 0.00 0.01 -1.26 -4.95 113.70 106.11 2ys8 s SER 40 Ca 0.72 -1.44 -0.21 0.00 1.31 0.00 0.00 55.95 56.33 2ys8 s SER 40 Cb -0.04 -0.08 0.14 0.00 0.21 0.00 0.00 66.02 66.24 2ys8 s SER 40 CO 0.50 -0.60 1.57 -0.09 0.41 0.00 0.00 173.24 175.02 2ys8 h ARG 41 N 1.85 -0.10 -0.67 12.44 2.43 -1.94 0.30 114.38 128.68 2ys8 h ARG 41 Ca -0.42 0.01 0.13 0.00 -0.81 0.00 0.00 59.98 58.89 2ys8 h ARG 41 Cb 1.25 0.02 -0.13 0.00 -0.42 0.00 0.00 29.97 30.70 2ys8 h ARG 41 CO 0.74 -0.07 -0.21 0.38 -1.51 0.00 0.00 179.97 179.30 2ys8 h ASP 42 N -0.10 -0.77 0.44 -3.80 3.04 -1.98 0.30 116.42 113.54 2ys8 h ASP 42 Ca 0.26 0.21 -0.02 0.00 -3.24 0.00 0.00 57.03 54.24 2ys8 h ASP 42 Cb 0.56 0.47 0.00 0.00 -1.04 0.00 0.00 39.33 39.32 2ys8 h ASP 42 CO -0.82 -0.25 -0.21 -0.33 -2.04 0.00 0.00 179.24 175.59 2ys8 h GLU 43 N -0.04 -0.57 -1.02 4.15 5.08 -1.17 -0.15 114.58 120.87 2ys8 h GLU 43 Ca 0.31 0.04 0.26 0.00 -1.00 0.00 0.00 59.36 58.97 2ys8 h GLU 43 Cb 0.52 0.13 -0.12 0.00 0.50 0.00 0.00 28.75 29.77 2ys8 h GLU 43 CO -0.71 -0.26 0.61 0.28 -1.00 0.00 0.00 179.01 177.93 2ys8 h VAL 44 N -0.87 0.49 -0.08 3.13 2.07 0.14 0.99 116.25 122.12 2ys8 h VAL 44 Ca -0.06 -0.17 -0.17 0.00 0.82 0.00 0.00 66.70 67.12 2ys8 h VAL 44 Cb 0.56 -0.06 0.01 0.00 -1.52 0.00 0.00 31.29 30.28 2ys8 h VAL 44 CO 0.10 0.09 -0.60 0.78 0.02 0.00 0.00 177.57 177.96 2ys8 h ASN 45 N 0.51 0.66 -0.21 0.57 2.35 -0.33 -2.31 115.58 116.82 2ys8 h ASN 45 Ca 0.66 -0.67 0.05 0.00 -0.55 0.00 0.00 56.30 55.78 2ys8 h ASN 45 Cb 1.36 -0.20 -0.05 0.00 0.05 0.00 0.00 38.32 39.49 2ys8 h ASN 45 CO -0.47 1.23 -0.09 0.50 -1.65 0.00 0.00 177.43 176.95 2ys8 h LYS 46 N 0.14 -0.06 -0.61 0.81 1.63 0.11 0.59 116.57 119.18 2ys8 h LYS 46 Ca -0.05 0.00 -0.09 0.00 -0.85 0.00 0.00 60.65 59.67 2ys8 h LYS 46 Cb 1.26 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.88 2ys8 h LYS 46 CO 0.12 -0.04 0.04 0.00 -3.45 0.00 0.00 179.45 176.12 2ys8 h ALA 47 N 1.12 0.92 -0.52 5.00 0.00 -1.19 -2.74 119.26 121.85 2ys8 h ALA 47 Ca 0.11 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 2ys8 h ALA 47 Cb 0.23 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 2ys8 h ALA 47 CO -0.25 0.65 0.22 -0.92 0.00 0.00 0.00 179.25 178.96 2ys8 h TYR 48 N 0.95 0.74 0.19 0.00 5.03 -0.80 -2.33 116.97 120.75 2ys8 h TYR 48 Ca 0.18 -0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.45 2ys8 h TYR 48 Cb 0.50 -0.23 0.00 0.00 1.55 0.00 0.00 36.73 38.55 2ys8 h TYR 48 CO 0.03 0.56 -0.09 0.00 -1.32 0.00 0.00 178.16 177.35 2ys8 h ARG 49 N 0.74 -0.24 -1.00 1.82 3.08 -0.62 0.25 114.38 118.40 2ys8 h ARG 49 Ca 0.18 0.02 0.35 0.00 0.07 0.00 0.00 59.98 60.59 2ys8 h ARG 49 Cb 0.12 0.06 -0.16 0.00 0.08 0.00 0.00 29.97 30.07 2ys8 h ARG 49 CO -0.02 -0.16 0.55 1.57 -1.07 0.00 0.00 179.97 180.84 2ys8 h LYS 50 N -0.33 0.23 0.29 0.04 2.10 -1.52 -0.34 116.57 117.04 2ys8 h LYS 50 Ca -0.03 -0.01 -0.01 0.00 -2.00 0.00 0.00 60.65 58.60 2ys8 h LYS 50 Cb 0.19 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 31.48 2ys8 h LYS 50 CO 0.04 0.15 -0.14 1.25 -2.00 0.00 0.00 179.45 178.75 2ys8 h LEU 51 N 0.23 -0.33 -0.96 7.07 5.85 -1.40 -3.16 115.31 122.61 2ys8 h LEU 51 Ca 0.76 -0.18 0.33 0.00 0.84 0.00 0.00 57.88 59.64 2ys8 h LEU 51 Cb 1.82 0.09 -0.18 0.00 0.37 0.00 0.00 40.66 42.76 2ys8 h LEU 51 CO -0.65 0.14 0.27 0.00 -0.34 0.00 0.00 178.44 177.86 2ys8 n ALA 52 N -2.62 0.74 -0.30 1.25 0.00 0.86 0.18 120.51 120.63 2ys8 n ALA 52 Ca -0.08 1.01 -0.05 0.00 0.00 0.00 0.00 53.44 54.32 2ys8 n ALA 52 Cb 0.25 -0.87 0.07 0.00 0.00 0.00 0.00 19.45 18.91 2ys8 n ALA 52 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2ys8 h VAL 53 N 0.00 1.26 -0.23 0.00 2.07 -1.41 1.98 116.25 119.93 2ys8 h VAL 53 Ca 0.70 -0.79 -0.15 0.00 0.82 0.00 0.00 66.70 67.28 2ys8 h VAL 53 Cb 1.69 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 2ys8 h VAL 53 CO -0.82 0.33 -0.47 0.25 0.02 0.00 0.00 177.57 176.88 2ys8 h LEU 54 N 1.19 0.64 -2.03 2.57 5.85 0.20 -2.97 115.31 120.76 2ys8 h LEU 54 Ca 0.28 -0.31 0.00 0.00 0.84 0.00 0.00 57.88 58.69 2ys8 h LEU 54 Cb 0.18 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.03 2ys8 h LEU 54 CO -0.03 1.01 0.00 0.18 -0.34 0.00 0.00 178.44 179.27 2ys8 n LEU 55 N -4.00 3.07 -4.60 2.25 4.77 0.11 -4.56 117.00 114.05 2ys8 n LEU 55 Ca -0.02 -1.23 -0.42 0.00 -0.03 0.00 0.00 56.01 54.31 2ys8 n LEU 55 Cb 0.56 -0.15 0.01 0.00 -2.33 0.00 0.00 43.42 41.50 2ys8 n LEU 55 CO 0.46 0.61 0.56 1.57 -1.33 0.00 0.00 177.39 179.26 2ys8 n HIS 56 N 1.29 1.10 -0.06 -1.77 -0.00 0.67 -4.55 115.22 111.90 2ys8 n HIS 56 Ca 0.17 0.58 -0.10 0.00 0.46 0.00 0.00 57.72 58.84 2ys8 n HIS 56 Cb 0.57 -2.22 0.05 0.00 -0.12 0.00 0.00 29.99 28.26 2ys8 n HIS 56 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2ys8 h PRO 57 N 1.59 0.74 -0.00 1.57 0.13 -1.85 1.17 132.00 135.34 2ys8 h PRO 57 Ca -0.43 -0.38 0.00 0.00 -0.87 0.00 0.00 66.00 64.31 2ys8 h PRO 57 Cb 1.34 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.48 2ys8 h PRO 57 CO 0.57 1.00 -0.05 -0.25 -0.23 0.00 0.00 178.00 179.04 2ys8 n ASP 58 N -4.04 0.49 -0.01 1.44 9.92 -1.26 -3.70 116.55 119.40 2ys8 n ASP 58 Ca -0.02 -0.83 -0.00 0.00 -0.53 0.00 0.00 54.79 53.41 2ys8 n ASP 58 Cb 0.53 -0.05 -0.02 0.00 -0.64 0.00 0.00 41.12 40.94 2ys8 n ASP 58 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2ys8 n LYS 59 N -0.79 2.47 -3.93 -1.24 4.76 -1.07 -4.94 118.16 113.42 2ys8 n LYS 59 Ca 0.18 -0.01 -0.31 0.00 -2.87 0.00 0.00 58.31 55.31 2ys8 n LYS 59 Cb 0.24 -1.05 -0.15 0.00 -1.84 0.00 0.00 35.03 32.23 2ys8 n LYS 59 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2ys8 n VAL 61 N 4.51 0.35 -1.68 0.00 0.24 -1.26 -4.47 118.33 116.03 2ys8 n VAL 61 Ca -0.03 -0.32 -0.35 0.00 -2.04 0.00 0.00 64.34 61.60 2ys8 n VAL 61 Cb 0.42 0.11 0.07 0.00 -1.47 0.00 0.00 33.84 32.97 2ys8 n VAL 61 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2ys8 s ALA 62 N -1.68 2.32 0.02 2.33 0.00 -1.26 -4.91 121.76 118.58 2ys8 s ALA 62 Ca 0.16 0.89 0.32 0.00 0.00 0.00 0.00 51.96 53.33 2ys8 s ALA 62 Cb 0.08 -3.45 1.35 0.00 0.00 0.00 0.00 23.12 21.10 2ys8 s ALA 62 CO 0.10 -1.55 1.95 -1.00 0.00 0.00 0.00 175.76 175.27 2ys8 h PRO 63 N 0.18 0.00 0.01 0.00 0.13 -2.03 -3.16 132.00 127.12 2ys8 h PRO 63 Ca -0.49 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.28 2ys8 h PRO 63 Cb 1.29 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.36 2ys8 h PRO 63 CO 0.52 0.00 -2.34 0.41 -0.23 0.00 0.00 178.00 176.36 2ys8 n GLY 64 N -0.02 -0.80 0.33 1.56 0.00 -1.26 -4.40 105.19 100.60 2ys8 n GLY 64 Ca 0.01 -0.26 0.31 0.00 0.00 0.00 0.00 46.02 46.08 2ys8 n GLY 64 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ys8 n SER 65 N -2.95 0.31 0.07 1.61 3.41 -1.19 -0.96 113.62 113.91 2ys8 n SER 65 Ca -0.35 1.52 -0.03 0.00 -0.26 0.00 0.00 58.87 59.74 2ys8 n SER 65 Cb 1.10 -0.74 -0.02 0.00 -0.26 0.00 0.00 64.21 64.29 2ys8 n SER 65 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2ys8 h GLU 66 N 0.00 -0.20 -0.93 4.33 4.57 -1.77 -1.26 114.58 119.32 2ys8 h GLU 66 Ca 0.80 0.01 0.26 0.00 -1.18 0.00 0.00 59.36 59.26 2ys8 h GLU 66 Cb 2.21 0.04 -0.14 0.00 -0.16 0.00 0.00 28.75 30.71 2ys8 h GLU 66 CO -0.68 -0.13 0.41 0.22 -1.18 0.00 0.00 179.01 177.65 2ys8 h ASP 67 N -0.20 0.30 0.32 1.04 3.58 -1.31 -1.83 116.42 118.32 2ys8 h ASP 67 Ca -0.02 0.18 -0.01 0.00 0.42 0.00 0.00 57.03 57.60 2ys8 h ASP 67 Cb 0.16 0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.38 2ys8 h ASP 67 CO 0.01 -0.09 -0.27 0.00 -2.88 0.00 0.00 179.24 176.02 2ys8 h ALA 68 N 1.78 -1.01 -0.93 -0.78 0.00 -1.10 -2.12 119.26 115.10 2ys8 h ALA 68 Ca 0.62 -0.11 0.23 0.00 0.00 0.00 0.00 54.91 55.64 2ys8 h ALA 68 Cb 1.29 0.47 -0.17 0.00 0.00 0.00 0.00 17.79 19.37 2ys8 h ALA 68 CO -0.59 -1.01 -0.06 0.35 0.00 0.00 0.00 179.25 177.93 2ys8 h PHE 69 N -0.57 -0.19 -0.49 0.00 3.57 -0.40 0.49 116.94 119.35 2ys8 h PHE 69 Ca -0.04 0.07 0.08 0.00 3.53 0.00 0.00 57.97 61.61 2ys8 h PHE 69 Cb 0.48 0.23 -0.06 0.00 2.79 0.00 0.00 35.95 39.39 2ys8 h PHE 69 CO -0.11 -0.39 0.13 0.87 -2.23 0.00 0.00 178.31 176.58 2ys8 h LYS 70 N 0.03 0.27 0.11 1.11 1.57 -1.18 -2.42 116.57 116.05 2ys8 h LYS 70 Ca 0.52 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.28 2ys8 h LYS 70 Cb 0.96 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.20 2ys8 h LYS 70 CO -0.89 0.18 -0.09 0.00 -0.57 0.00 0.00 179.45 178.07 2ys8 h ALA 71 N 1.36 -0.19 -0.68 3.86 0.00 0.62 -2.80 119.26 121.43 2ys8 h ALA 71 Ca 0.24 -0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.23 2ys8 h ALA 71 Cb 0.30 0.13 -0.12 0.00 0.00 0.00 0.00 17.79 18.10 2ys8 h ALA 71 CO -0.29 -0.62 -0.39 0.28 0.00 0.00 0.00 179.25 178.23 2ys8 h VAL 72 N -0.22 0.10 0.02 0.00 2.07 -0.81 0.16 116.25 117.57 2ys8 h VAL 72 Ca 0.00 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.55 2ys8 h VAL 72 Cb 0.20 0.10 -0.05 0.00 -1.52 0.00 0.00 31.29 30.02 2ys8 h VAL 72 CO -0.02 0.00 -0.45 0.58 0.02 0.00 0.00 177.57 177.70 2ys8 h VAL 73 N -0.15 0.11 -0.84 2.57 2.07 -1.33 0.32 116.25 119.01 2ys8 h VAL 73 Ca 0.23 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.91 2ys8 h VAL 73 Cb 0.56 0.11 -0.06 0.00 -1.52 0.00 0.00 31.29 30.38 2ys8 h VAL 73 CO -0.75 0.00 0.55 0.78 0.02 0.00 0.00 177.57 178.17 2ys8 h ASN 74 N -0.61 0.49 0.14 0.57 2.35 -1.01 0.06 115.58 117.56 2ys8 h ASN 74 Ca 0.04 0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.81 2ys8 h ASN 74 Cb 0.68 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.99 2ys8 h ASN 74 CO -0.32 0.23 -0.07 0.00 -1.65 0.00 0.00 177.43 175.63 2ys8 h ALA 75 N 1.62 -0.50 0.01 -0.83 0.00 0.81 -2.64 119.26 117.74 2ys8 h ALA 75 Ca 0.43 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.30 2ys8 h ALA 75 Cb 0.90 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 2ys8 h ALA 75 CO -0.17 -0.48 -0.08 -0.09 0.00 0.00 0.00 179.25 178.43 2ys8 h ARG 76 N -0.35 -0.10 -0.97 0.00 2.43 -0.27 0.21 114.38 115.33 2ys8 h ARG 76 Ca -0.02 0.01 0.30 0.00 -0.81 0.00 0.00 59.98 59.46 2ys8 h ARG 76 Cb 0.14 0.02 -0.18 0.00 -0.42 0.00 0.00 29.97 29.54 2ys8 h ARG 76 CO 0.03 -0.07 0.19 1.15 -1.51 0.00 0.00 179.97 179.76 2ys8 h THR 77 N -0.10 0.07 0.76 0.20 2.02 -1.17 0.41 112.91 115.09 2ys8 h THR 77 Ca 0.00 -0.01 -0.04 0.00 0.77 0.00 0.00 66.41 67.13 2ys8 h THR 77 Cb 0.11 0.02 0.01 0.00 -1.74 0.00 0.00 68.15 66.54 2ys8 h THR 77 CO -0.05 0.01 -0.37 0.00 0.37 0.00 0.00 175.52 175.49 2ys8 h ALA 78 N 1.95 -1.02 -0.42 6.16 0.00 -0.99 -3.04 119.26 121.90 2ys8 h ALA 78 Ca 0.65 -0.23 0.07 0.00 0.00 0.00 0.00 54.91 55.40 2ys8 h ALA 78 Cb 1.46 0.40 -0.09 0.00 0.00 0.00 0.00 17.79 19.55 2ys8 h ALA 78 CO -0.84 -1.00 -0.42 -0.07 0.00 0.00 0.00 179.25 176.93 2ys8 h LEU 79 N -1.18 -1.39 -0.96 0.00 3.38 0.14 -0.29 115.31 115.02 2ys8 h LEU 79 Ca -0.10 0.22 0.24 0.00 0.09 0.00 0.00 57.88 58.33 2ys8 h LEU 79 Cb 0.80 0.61 -0.18 0.00 0.09 0.00 0.00 40.66 41.99 2ys8 h LEU 79 CO 0.17 -0.36 -0.02 -0.07 0.09 0.00 0.00 178.44 178.25 2ys8 h LEU 80 N -0.31 -0.54 -1.00 1.67 3.38 -1.13 0.57 115.31 117.95 2ys8 h LEU 80 Ca 0.15 0.27 0.40 0.00 0.09 0.00 0.00 57.88 58.79 2ys8 h LEU 80 Cb 0.58 0.49 -0.18 0.00 0.09 0.00 0.00 40.66 41.64 2ys8 h LEU 80 CO -0.58 -0.32 0.51 0.11 0.09 0.00 0.00 178.44 178.25 2ys8 h LYS 81 N 0.02 0.02 -0.19 1.13 1.79 -0.92 1.60 116.57 120.02 2ys8 h LYS 81 Ca 0.55 -0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.85 2ys8 h LYS 81 Cb 1.07 -0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.71 2ys8 h LYS 81 CO -0.90 0.01 -0.57 -0.97 -1.08 0.00 0.00 179.45 175.94 2ys8 h ASN 82 N 0.02 0.67 -2.79 0.86 -0.00 0.07 -3.41 115.58 110.99 2ys8 h ASN 82 Ca 0.83 -0.36 -0.56 0.00 -0.00 0.00 0.00 56.30 56.20 2ys8 h ASN 82 Cb 2.15 -0.19 -0.04 0.00 -0.00 0.00 0.00 38.32 40.24 2ys8 h ASN 82 CO -0.77 1.09 1.20 -0.63 -0.00 0.00 0.00 177.43 178.32 2ys8 s ILE 83 N -3.97 3.64 -0.05 2.57 1.09 0.54 -4.99 121.20 120.03 2ys8 s ILE 83 Ca -0.08 0.61 0.00 0.00 -1.10 0.00 0.00 60.65 60.08 2ys8 s ILE 83 Cb 0.11 -3.97 -0.03 0.00 -1.06 0.00 0.00 42.46 37.51 2ys8 s ILE 83 CO 0.85 -0.69 -0.03 -0.54 -0.10 0.00 0.00 174.94 174.43 2ys8 s LYS 84 N 5.60 2.81 -0.21 2.79 1.02 -1.26 -4.94 119.74 125.56 2ys8 s LYS 84 Ca 0.69 -0.54 -0.15 0.00 0.02 0.00 0.00 55.97 55.99 2ys8 s LYS 84 Cb -0.17 -2.67 -0.19 0.00 -0.52 0.00 0.00 37.83 34.28 2ys8 s LYS 84 CO 0.30 0.66 0.10 0.45 -0.92 0.00 0.00 175.35 175.95 2ys8 n SER 85 N 1.89 1.95 0.00 2.83 2.88 -1.26 -5.10 113.62 116.81 2ys8 n SER 85 Ca -0.17 0.31 0.00 0.00 -1.33 0.00 0.00 58.87 57.68 2ys8 n SER 85 Cb 0.53 -0.87 0.00 0.00 -0.75 0.00 0.00 64.21 63.12 2ys8 n SER 85 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ys8 n GLY 86 N 1.60 -1.49 3.77 0.46 0.00 -1.26 -5.00 105.19 103.26 2ys8 n GLY 86 Ca -0.38 -1.99 -0.31 0.00 0.00 0.00 0.00 46.02 43.34 2ys8 n GLY 86 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ys8 s PRO 87 N 0.00 2.31 0.01 1.61 0.04 -1.26 -5.07 135.00 132.64 2ys8 s PRO 87 Ca 0.00 1.20 0.03 0.00 0.04 0.00 0.00 61.00 62.27 2ys8 s PRO 87 Cb 0.00 -1.90 -0.01 0.00 0.04 0.00 0.00 34.50 32.62 2ys8 s PRO 87 CO 0.00 -1.60 -0.10 -1.12 0.04 0.00 0.00 177.00 174.22 2ys8 s SER 88 N -3.29 1.19 -0.09 6.66 0.01 -1.26 -5.15 113.70 111.77 2ys8 s SER 88 Ca 0.62 -0.30 -0.01 0.00 1.31 0.00 0.00 55.95 57.57 2ys8 s SER 88 Cb -0.18 -0.09 -0.03 0.00 0.21 0.00 0.00 66.02 65.93 2ys8 s SER 88 CO 0.54 0.05 -0.04 -0.94 0.41 0.00 0.00 173.24 173.26 2ys8 s SER 89 N -0.65 4.86 0.00 2.44 1.04 -1.26 -5.34 113.70 114.79 2ys8 s SER 89 Ca 0.01 0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.45 2ys8 s SER 89 Cb -0.06 -1.39 0.00 0.00 0.10 0.00 0.00 66.02 64.67 2ys8 s SER 89 CO 0.00 0.33 0.31 0.61 0.98 0.00 0.00 173.24 175.47