#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ys8 s SER 2 N 0.00 6.95 -0.16 1.61 0.01 -1.26 -5.00 113.70 115.85 2ys8 s SER 2 Ca 0.00 1.13 -0.32 0.00 1.31 0.00 0.00 55.95 58.07 2ys8 s SER 2 Cb 0.00 -2.31 -0.09 0.00 0.21 0.00 0.00 66.02 63.83 2ys8 s SER 2 CO 0.00 0.30 2.07 -0.24 0.41 0.00 0.00 173.24 175.78 2ys8 n SER 3 N 1.78 3.26 0.00 2.44 2.88 -1.26 -3.78 113.62 118.94 2ys8 n SER 3 Ca -0.12 0.60 0.00 0.00 -1.33 0.00 0.00 58.87 58.02 2ys8 n SER 3 Cb 0.51 -1.44 0.00 0.00 -0.75 0.00 0.00 64.21 62.54 2ys8 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ys8 n GLY 4 N 5.29 0.01 3.11 0.46 0.00 -1.26 -5.12 105.19 107.68 2ys8 n GLY 4 Ca 0.28 0.17 -0.13 0.00 0.00 0.00 0.00 46.02 46.35 2ys8 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ys8 s SER 5 N -0.00 -0.21 0.72 1.61 0.01 -1.25 -5.15 113.70 109.43 2ys8 s SER 5 Ca 0.00 0.39 -0.16 0.00 1.31 0.00 0.00 55.95 57.49 2ys8 s SER 5 Cb 0.00 0.44 0.03 0.00 0.21 0.00 0.00 66.02 66.70 2ys8 s SER 5 CO 0.00 -0.11 1.24 -0.94 0.41 0.00 0.00 173.24 173.84 2ys8 s SER 6 N -0.04 4.18 0.00 2.44 1.04 -1.26 -4.56 113.70 115.51 2ys8 s SER 6 Ca -0.02 2.46 0.00 0.00 0.48 0.00 0.00 55.95 58.88 2ys8 s SER 6 Cb -0.02 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.50 2ys8 s SER 6 CO 0.01 -2.28 0.00 0.61 0.98 0.00 0.00 173.24 172.56 2ys8 n GLY 7 N 0.62 -0.00 3.33 7.32 0.00 -1.26 -4.95 105.19 110.25 2ys8 n GLY 7 Ca 0.14 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.07 2ys8 n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ys8 s SER 8 N -3.38 -0.55 0.22 1.61 0.01 -1.26 -5.07 113.70 105.28 2ys8 s SER 8 Ca 0.00 1.01 0.10 0.00 1.31 0.00 0.00 55.95 58.38 2ys8 s SER 8 Cb 0.00 0.98 -0.04 0.00 0.21 0.00 0.00 66.02 67.17 2ys8 s SER 8 CO 0.00 -0.21 -0.16 -0.44 0.41 0.00 0.00 173.24 172.85 2ys8 s SER 9 N 1.65 3.87 -0.12 2.44 0.01 -1.26 -4.81 113.70 115.49 2ys8 s SER 9 Ca -0.08 -0.78 -0.08 0.00 1.31 0.00 0.00 55.95 56.32 2ys8 s SER 9 Cb -0.09 -0.49 -0.03 0.00 0.21 0.00 0.00 66.02 65.63 2ys8 s SER 9 CO -0.14 0.08 -0.15 0.00 0.41 0.00 0.00 173.24 173.44 2ys8 n ALA 10 N -0.13 0.39 -1.92 1.44 0.00 -1.26 -4.99 120.51 114.04 2ys8 n ALA 10 Ca -0.10 -0.38 -0.30 0.00 0.00 0.00 0.00 53.44 52.67 2ys8 n ALA 10 Cb 0.57 0.01 0.19 0.00 0.00 0.00 0.00 19.45 20.22 2ys8 n ALA 10 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2ys8 s SER 11 N -5.46 3.02 0.43 0.00 1.04 -1.26 -4.55 113.70 106.92 2ys8 s SER 11 Ca -0.13 0.25 0.04 0.00 0.48 0.00 0.00 55.95 56.59 2ys8 s SER 11 Cb 0.02 -0.28 0.00 0.00 0.10 0.00 0.00 66.02 65.87 2ys8 s SER 11 CO 0.19 -2.79 0.61 0.72 0.98 0.00 0.00 173.24 172.95 2ys8 s PHE 12 N -3.89 3.04 0.66 5.02 -0.71 -1.26 -4.86 117.98 115.97 2ys8 s PHE 12 Ca 0.74 -0.08 0.03 0.00 -1.04 0.00 0.00 56.93 56.58 2ys8 s PHE 12 Cb -0.04 -2.31 0.11 0.00 -1.21 0.00 0.00 43.02 39.57 2ys8 s PHE 12 CO 0.53 -0.36 0.91 0.95 -1.34 0.00 0.00 175.22 175.91 2ys8 s THR 13 N -2.43 2.15 0.04 -4.49 -4.23 -1.26 -4.99 115.64 100.43 2ys8 s THR 13 Ca 0.50 -0.75 -0.28 0.00 -1.18 0.00 0.00 61.69 59.98 2ys8 s THR 13 Cb -0.10 -2.40 -0.17 0.00 1.34 0.00 0.00 72.50 71.16 2ys8 s THR 13 CO 0.35 0.00 1.46 0.07 -0.54 0.00 0.00 174.62 175.95 2ys8 h LYS 14 N -0.26 -0.58 -0.90 3.99 2.10 -2.00 -2.92 116.57 116.01 2ys8 h LYS 14 Ca -0.34 0.04 0.13 0.00 -2.00 0.00 0.00 60.65 58.48 2ys8 h LYS 14 Cb 1.27 0.13 -0.14 0.00 -0.90 0.00 0.00 32.23 32.59 2ys8 h LYS 14 CO 0.40 -0.31 -0.37 0.39 -2.00 0.00 0.00 179.45 177.56 2ys8 n GLU 15 N -5.29 -0.23 0.17 0.07 4.71 -1.26 -0.42 120.64 118.40 2ys8 n GLU 15 Ca -0.11 1.39 -0.15 0.00 -0.01 0.00 0.00 57.16 58.28 2ys8 n GLU 15 Cb 0.28 -2.06 -0.08 0.00 -1.01 0.00 0.00 31.44 28.58 2ys8 n GLU 15 CO 0.00 0.00 0.00 1.96 0.09 0.00 0.00 177.13 179.18 2ys8 h GLN 16 N 0.00 -0.69 -0.71 3.49 4.20 -1.86 -1.68 115.11 117.86 2ys8 h GLN 16 Ca 0.30 0.05 0.15 0.00 0.06 0.00 0.00 58.65 59.20 2ys8 h GLN 16 Cb 0.52 0.16 -0.10 0.00 0.30 0.00 0.00 27.48 28.36 2ys8 h GLN 16 CO -0.89 -0.46 0.21 0.00 -0.67 0.00 0.00 178.83 177.01 2ys8 h ALA 17 N -0.27 0.94 0.00 3.87 0.00 -0.56 0.58 119.26 123.81 2ys8 h ALA 17 Ca -0.00 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 2ys8 h ALA 17 Cb 0.69 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 2ys8 h ALA 17 CO -0.16 -0.29 -0.01 -0.44 0.00 0.00 0.00 179.25 178.35 2ys8 h ASP 18 N 0.32 0.00 0.07 0.00 5.19 -0.19 -1.96 116.42 119.86 2ys8 h ASP 18 Ca 0.40 0.00 -0.12 0.00 -0.62 0.00 0.00 57.03 56.68 2ys8 h ASP 18 Cb 0.64 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.16 2ys8 h ASP 18 CO -0.46 0.01 -0.52 0.00 -3.12 0.00 0.00 179.24 175.16 2ys8 h ALA 19 N 1.99 -0.03 -0.23 3.45 0.00 0.11 -3.22 119.26 121.33 2ys8 h ALA 19 Ca -0.00 -0.60 -0.02 0.00 0.00 0.00 0.00 54.91 54.29 2ys8 h ALA 19 Cb 0.13 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2ys8 h ALA 19 CO 0.00 0.24 0.07 0.82 0.00 0.00 0.00 179.25 180.38 2ys8 h ILE 20 N -0.50 1.19 -0.91 0.00 5.03 -0.95 -2.03 117.51 119.34 2ys8 h ILE 20 Ca -0.08 -0.60 0.19 0.00 -0.12 0.00 0.00 64.86 64.24 2ys8 h ILE 20 Cb 1.36 1.17 -0.07 0.00 -3.03 0.00 0.00 36.82 36.24 2ys8 h ILE 20 CO 0.10 0.19 0.59 0.08 -0.68 0.00 0.00 178.15 178.44 2ys8 h ARG 21 N 0.20 0.49 0.22 2.37 0.11 -1.51 -1.86 114.38 114.40 2ys8 h ARG 21 Ca 0.07 -0.03 -0.01 0.00 0.10 0.00 0.00 59.98 60.11 2ys8 h ARG 21 Cb 0.23 -0.11 0.00 0.00 1.11 0.00 0.00 29.97 31.20 2ys8 h ARG 21 CO -0.00 0.33 -0.11 0.00 0.10 0.00 0.00 179.97 180.29 2ys8 h ARG 22 N 0.51 -0.29 -0.89 0.08 3.08 -1.49 -1.36 114.38 114.02 2ys8 h ARG 22 Ca 0.48 0.02 0.24 0.00 0.07 0.00 0.00 59.98 60.78 2ys8 h ARG 22 Cb 1.05 0.07 -0.15 0.00 0.08 0.00 0.00 29.97 31.01 2ys8 h ARG 22 CO -0.21 0.06 0.13 0.82 -1.07 0.00 0.00 179.97 179.70 2ys8 h ILE 23 N -0.94 0.22 0.00 2.04 2.04 -0.81 1.48 117.51 121.54 2ys8 h ILE 23 Ca -0.03 -0.04 -0.14 0.00 1.00 0.00 0.00 64.86 65.65 2ys8 h ILE 23 Cb 0.48 0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.64 2ys8 h ILE 23 CO 0.05 0.02 -0.66 0.08 0.00 0.00 0.00 178.15 177.64 2ys8 h ARG 24 N 0.12 0.00 -0.64 2.37 0.11 -1.43 -3.06 114.38 111.86 2ys8 h ARG 24 Ca 0.54 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.62 2ys8 h ARG 24 Cb 1.09 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.17 2ys8 h ARG 24 CO -0.74 0.66 0.00 0.09 0.10 0.00 0.00 179.97 180.08 2ys8 n ASN 25 N -3.50 4.95 -4.93 0.08 3.02 0.27 -4.96 115.26 110.20 2ys8 n ASN 25 Ca -0.00 -2.61 -0.25 0.00 -0.03 0.00 0.00 54.58 51.69 2ys8 n ASN 25 Cb 0.71 -0.61 0.02 0.00 -0.61 0.00 0.00 39.78 39.29 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 -0.82 5.68 0.00 6.41 0.01 0.43 -4.94 113.70 120.48 2ys8 s SER 26 Ca 0.50 0.58 0.04 0.00 1.31 0.00 0.00 55.95 58.39 2ys8 s SER 26 Cb 0.35 -1.66 -0.04 0.00 0.21 0.00 0.00 66.02 64.87 2ys8 s SER 26 CO 0.20 -0.94 0.20 0.29 0.41 0.00 0.00 173.24 173.41 2ys8 n LYS 27 N -2.42 5.34 -3.73 12.44 5.02 -1.26 -5.03 118.16 128.51 2ys8 n LYS 27 Ca 0.03 -0.03 -0.06 0.00 -2.02 0.00 0.00 58.31 56.23 2ys8 n LYS 27 Cb 0.58 -0.72 -0.02 0.00 -0.02 0.00 0.00 35.03 34.85 2ys8 n LYS 27 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2ys8 s ASP 28 N -1.37 -0.27 0.21 4.39 1.01 -1.26 -5.05 116.67 114.33 2ys8 s ASP 28 Ca 0.02 -0.40 -0.10 0.00 0.71 0.00 0.00 52.55 52.78 2ys8 s ASP 28 Cb 0.03 0.58 0.17 0.00 1.01 0.00 0.00 42.92 44.71 2ys8 s ASP 28 CO 0.17 -1.06 1.88 -1.28 0.21 0.00 0.00 175.17 175.09 2ys8 h SER 29 N 2.00 0.91 -1.08 0.27 0.87 -1.97 -2.14 113.55 112.41 2ys8 h SER 29 Ca -0.23 -0.04 0.29 0.00 -1.23 0.00 0.00 61.79 60.59 2ys8 h SER 29 Cb 1.25 -0.23 -0.10 0.00 -0.44 0.00 0.00 62.40 62.88 2ys8 h SER 29 CO 0.26 0.68 0.69 -0.50 -0.53 0.00 0.00 176.83 177.43 2ys8 h TRP 30 N 1.06 0.65 -0.10 2.24 -0.00 -1.96 0.15 115.95 117.99 2ys8 h TRP 30 Ca 0.28 0.02 -0.10 0.00 -0.00 0.00 0.00 58.89 59.10 2ys8 h TRP 30 Cb -0.09 -0.18 0.00 0.00 -0.00 0.00 0.00 29.16 28.88 2ys8 h TRP 30 CO -0.01 0.01 -0.32 0.22 -0.00 0.00 0.00 178.44 178.33 2ys8 h ASP 31 N 0.35 0.47 0.34 -3.49 1.82 -1.65 0.22 116.42 114.47 2ys8 h ASP 31 Ca 0.63 -0.60 -0.02 0.00 -0.39 0.00 0.00 57.03 56.65 2ys8 h ASP 31 Cb 1.67 -0.14 -0.00 0.00 0.68 0.00 0.00 39.33 41.54 2ys8 h ASP 31 CO -0.33 0.99 -0.20 0.24 -1.61 0.00 0.00 179.24 178.33 2ys8 h MET 32 N -0.03 -0.48 -0.06 0.28 2.86 -0.63 -3.03 114.93 113.85 2ys8 h MET 32 Ca -0.01 0.03 -0.05 0.00 -2.06 0.00 0.00 59.70 57.61 2ys8 h MET 32 Cb 0.95 0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.71 2ys8 h MET 32 CO 0.07 -0.32 -0.21 -0.07 1.06 0.00 0.00 176.91 177.44 2ys8 h LEU 33 N -0.50 0.09 -1.28 1.22 3.38 -1.32 -3.47 115.31 113.43 2ys8 h LEU 33 Ca -0.05 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2ys8 h LEU 33 Cb 0.40 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2ys8 h LEU 33 CO 0.05 0.31 0.00 0.61 0.09 0.00 0.00 178.44 179.50 2ys8 n GLY 34 N -0.82 0.76 3.12 0.83 0.00 0.65 -4.71 105.19 105.02 2ys8 n GLY 34 Ca -0.02 -0.56 -0.12 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.89 0.65 0.62 1.61 -7.23 -0.42 -5.01 120.40 107.72 2ys8 s VAL 35 Ca 0.00 -1.48 -0.17 0.00 -1.81 0.00 0.00 61.98 58.52 2ys8 s VAL 35 Cb 0.00 -1.12 -0.02 0.00 0.56 0.00 0.00 36.38 35.80 2ys8 s VAL 35 CO 0.00 -0.59 1.12 -1.59 -0.31 0.00 0.00 175.10 173.72 2ys8 s LYS 36 N -2.60 2.99 0.00 4.82 0.00 -1.26 -4.48 119.74 119.21 2ys8 s LYS 36 Ca 0.00 1.47 0.15 0.00 0.00 0.00 0.00 55.97 57.59 2ys8 s LYS 36 Cb -0.03 -1.97 0.89 0.00 0.00 0.00 0.00 37.83 36.72 2ys8 s LYS 36 CO -0.02 -1.11 1.31 -0.35 0.00 0.00 0.00 175.35 175.18 2ys8 n PRO 37 N -2.03 0.49 -0.62 1.78 -0.04 -1.26 -2.53 135.00 130.80 2ys8 n PRO 37 Ca 0.11 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.60 2ys8 n PRO 37 Cb 0.52 -1.48 0.20 0.00 -0.04 0.00 0.00 33.50 32.70 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 -0.02 4.98 3.93 0.55 0.00 -1.26 -5.04 105.19 108.33 2ys8 n GLY 38 Ca 0.11 -1.25 -0.25 0.00 0.00 0.00 0.00 46.02 44.63 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 -3.19 3.59 0.52 4.61 0.00 -1.05 -5.10 121.76 121.14 2ys8 s ALA 39 Ca 0.40 -0.77 0.00 0.00 0.00 0.00 0.00 51.96 51.59 2ys8 s ALA 39 Cb 0.37 -2.28 0.02 0.00 0.00 0.00 0.00 23.12 21.23 2ys8 s ALA 39 CO -0.03 -0.15 0.75 -1.12 0.00 0.00 0.00 175.76 175.21 2ys8 s SER 40 N -4.07 5.49 0.24 0.00 0.01 -1.26 -4.85 113.70 109.26 2ys8 s SER 40 Ca 0.43 0.15 -0.07 0.00 1.31 0.00 0.00 55.95 57.77 2ys8 s SER 40 Cb -0.10 -1.17 0.41 0.00 0.21 0.00 0.00 66.02 65.37 2ys8 s SER 40 CO 0.39 -0.98 1.65 -0.09 0.41 0.00 0.00 173.24 174.62 2ys8 h ARG 41 N 0.16 0.14 -0.90 12.44 2.43 -1.95 0.35 114.38 127.05 2ys8 h ARG 41 Ca -0.44 -0.01 0.12 0.00 -0.81 0.00 0.00 59.98 58.84 2ys8 h ARG 41 Cb 1.28 -0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 30.73 2ys8 h ARG 41 CO 0.55 0.09 0.58 0.22 -1.51 0.00 0.00 179.97 179.90 2ys8 h ASP 42 N 0.14 0.74 0.42 -3.80 3.58 -1.99 -1.06 116.42 114.45 2ys8 h ASP 42 Ca 0.39 0.03 -0.02 0.00 0.42 0.00 0.00 57.03 57.86 2ys8 h ASP 42 Cb 0.68 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.62 2ys8 h ASP 42 CO -0.60 0.40 -0.20 -0.33 -2.88 0.00 0.00 179.24 175.63 2ys8 h GLU 43 N 0.80 -0.54 -0.84 0.28 4.39 -0.73 -0.36 114.58 117.58 2ys8 h GLU 43 Ca 0.44 0.04 0.20 0.00 0.34 0.00 0.00 59.36 60.38 2ys8 h GLU 43 Cb 0.56 0.12 -0.12 0.00 -0.10 0.00 0.00 28.75 29.21 2ys8 h GLU 43 CO -0.20 -0.27 0.27 0.28 -1.16 0.00 0.00 179.01 177.93 2ys8 h VAL 44 N -1.06 0.44 -0.25 3.13 2.07 -0.92 0.88 116.25 120.54 2ys8 h VAL 44 Ca -0.06 -0.10 -0.13 0.00 0.82 0.00 0.00 66.70 67.23 2ys8 h VAL 44 Cb 0.52 0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.41 2ys8 h VAL 44 CO 0.09 0.05 -0.33 0.78 0.02 0.00 0.00 177.57 178.19 2ys8 h ASN 45 N 0.30 0.73 -0.80 0.57 2.35 -1.24 -0.27 115.58 117.21 2ys8 h ASN 45 Ca 0.51 -0.50 0.07 0.00 -0.55 0.00 0.00 56.30 55.82 2ys8 h ASN 45 Cb 0.95 -0.21 -0.06 0.00 0.05 0.00 0.00 38.32 39.05 2ys8 h ASN 45 CO -0.56 1.09 0.48 0.11 -1.65 0.00 0.00 177.43 176.90 2ys8 h LYS 46 N 0.39 0.84 0.04 0.81 1.79 0.84 0.28 116.57 121.57 2ys8 h LYS 46 Ca 0.03 -0.05 -0.22 0.00 -2.18 0.00 0.00 60.65 58.23 2ys8 h LYS 46 Cb 0.91 -0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 31.36 2ys8 h LYS 46 CO 0.08 0.56 -1.00 0.00 -1.08 0.00 0.00 179.45 178.01 2ys8 h ALA 47 N 1.40 0.37 -0.21 3.86 0.00 -0.90 -3.13 119.26 120.64 2ys8 h ALA 47 Ca 0.36 -0.79 -0.13 0.00 0.00 0.00 0.00 54.91 54.35 2ys8 h ALA 47 Cb 0.21 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2ys8 h ALA 47 CO -0.19 0.97 -0.40 -0.92 0.00 0.00 0.00 179.25 178.72 2ys8 h TYR 48 N 0.09 0.58 0.41 0.00 5.03 -0.30 -2.89 116.97 119.90 2ys8 h TYR 48 Ca -0.07 -0.16 -0.02 0.00 2.58 0.00 0.00 58.73 61.06 2ys8 h TYR 48 Cb 1.67 -0.13 0.00 0.00 1.55 0.00 0.00 36.73 39.83 2ys8 h TYR 48 CO 0.04 0.82 -0.20 0.00 -1.32 0.00 0.00 178.16 177.49 2ys8 h ARG 49 N 0.41 -0.54 -0.98 1.82 3.08 -0.51 0.16 114.38 117.83 2ys8 h ARG 49 Ca 0.04 0.04 0.31 0.00 0.07 0.00 0.00 59.98 60.43 2ys8 h ARG 49 Cb 0.87 0.12 -0.15 0.00 0.08 0.00 0.00 29.97 30.89 2ys8 h ARG 49 CO 0.07 -0.36 0.50 1.57 -1.07 0.00 0.00 179.97 180.68 2ys8 h LYS 50 N -0.71 0.28 0.32 0.04 2.10 -1.63 -0.69 116.57 116.28 2ys8 h LYS 50 Ca -0.06 -0.02 -0.02 0.00 -2.00 0.00 0.00 60.65 58.56 2ys8 h LYS 50 Cb 0.43 -0.06 0.00 0.00 -0.90 0.00 0.00 32.23 31.70 2ys8 h LYS 50 CO 0.09 0.18 -0.15 1.25 -2.00 0.00 0.00 179.45 178.82 2ys8 h LEU 51 N 0.29 -0.37 -0.93 7.07 5.85 -1.48 -3.06 115.31 122.69 2ys8 h LEU 51 Ca 0.70 -0.16 0.26 0.00 0.84 0.00 0.00 57.88 59.52 2ys8 h LEU 51 Cb 1.58 0.09 -0.16 0.00 0.37 0.00 0.00 40.66 42.54 2ys8 h LEU 51 CO -0.63 0.09 0.15 0.00 -0.34 0.00 0.00 178.44 177.71 2ys8 h ALA 52 N -0.63 1.26 -0.38 1.25 0.00 0.73 1.17 119.26 122.65 2ys8 h ALA 52 Ca -0.04 0.28 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 2ys8 h ALA 52 Cb 0.51 0.45 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 2ys8 h ALA 52 CO 0.07 -0.55 0.16 0.28 0.00 0.00 0.00 179.25 179.21 2ys8 h VAL 53 N 0.09 1.15 0.00 0.00 2.07 -1.26 0.92 116.25 119.22 2ys8 h VAL 53 Ca 0.59 -0.45 -0.17 0.00 0.82 0.00 0.00 66.70 67.49 2ys8 h VAL 53 Cb 1.23 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.66 2ys8 h VAL 53 CO -0.79 0.18 -0.80 0.25 0.02 0.00 0.00 177.57 176.42 2ys8 h LEU 54 N 0.54 0.02 -2.44 2.57 5.85 0.14 -3.13 115.31 118.86 2ys8 h LEU 54 Ca 0.13 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.84 2ys8 h LEU 54 Cb 0.10 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.13 2ys8 h LEU 54 CO -0.01 0.82 0.00 0.18 -0.34 0.00 0.00 178.44 179.08 2ys8 n LEU 55 N -3.60 3.45 -4.61 2.25 4.77 0.12 -4.69 117.00 114.70 2ys8 n LEU 55 Ca -0.01 -1.65 -0.42 0.00 -0.03 0.00 0.00 56.01 53.90 2ys8 n LEU 55 Cb 0.77 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 2ys8 n LEU 55 CO 0.45 0.78 0.60 1.57 -1.33 0.00 0.00 177.39 179.46 2ys8 n HIS 56 N 1.39 1.27 -0.12 -1.77 -0.00 0.31 -4.58 115.22 111.72 2ys8 n HIS 56 Ca 0.19 0.60 -0.13 0.00 0.46 0.00 0.00 57.72 58.84 2ys8 n HIS 56 Cb 0.58 -2.25 -0.02 0.00 -0.12 0.00 0.00 29.99 28.17 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 1.75 0.93 0.00 1.57 0.13 -1.87 0.93 132.00 135.44 2ys8 h PRO 57 Ca -0.43 -0.49 0.00 0.00 -0.87 0.00 0.00 66.00 64.21 2ys8 h PRO 57 Cb 1.33 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.48 2ys8 h PRO 57 CO 0.58 1.14 0.00 -0.25 -0.23 0.00 0.00 178.00 179.25 2ys8 n ASP 58 N -4.07 0.00 -0.01 1.44 9.92 -1.26 -3.40 116.55 119.17 2ys8 n ASP 58 Ca -0.02 -0.55 -0.01 0.00 -0.53 0.00 0.00 54.79 53.67 2ys8 n ASP 58 Cb 0.54 -0.12 -0.02 0.00 -0.64 0.00 0.00 41.12 40.89 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 -1.12 3.29 -3.99 -1.24 5.02 -1.06 -4.95 118.16 114.11 2ys8 n LYS 59 Ca 0.18 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 56.16 2ys8 n LYS 59 Cb 0.15 -1.05 -0.15 0.00 -0.02 0.00 0.00 35.03 33.95 2ys8 n LYS 59 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ys8 n VAL 61 N 4.46 0.23 -1.31 0.00 0.24 -1.26 -4.44 118.33 116.25 2ys8 n VAL 61 Ca -0.05 -0.24 -0.35 0.00 -2.04 0.00 0.00 64.34 61.66 2ys8 n VAL 61 Cb 0.42 0.12 0.11 0.00 -1.47 0.00 0.00 33.84 33.02 2ys8 n VAL 61 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2ys8 n ALA 62 N 0.01 0.30 0.20 2.33 0.00 -1.26 -4.91 120.51 117.18 2ys8 n ALA 62 Ca 0.06 -0.22 0.07 0.00 0.00 0.00 0.00 53.44 53.35 2ys8 n ALA 62 Cb 0.15 -2.26 0.42 0.00 0.00 0.00 0.00 19.45 17.77 2ys8 n ALA 62 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2ys8 h PRO 63 N -0.42 0.00 0.00 0.00 0.13 -2.04 -3.20 132.00 126.47 2ys8 h PRO 63 Ca -0.48 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.32 2ys8 h PRO 63 Cb 1.31 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.38 2ys8 h PRO 63 CO 0.48 0.32 -2.10 0.41 -0.23 0.00 0.00 178.00 176.88 2ys8 n GLY 64 N -0.08 -0.98 0.33 1.56 0.00 -1.26 -4.38 105.19 100.38 2ys8 n GLY 64 Ca -0.01 -0.21 0.15 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.90 -0.09 0.18 1.61 3.41 -1.21 -0.52 113.62 114.10 2ys8 n SER 65 Ca -0.26 1.61 -0.15 0.00 -0.26 0.00 0.00 58.87 59.81 2ys8 n SER 65 Cb 1.11 -0.60 -0.08 0.00 -0.26 0.00 0.00 64.21 64.38 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 -0.73 -0.76 4.33 4.57 -1.76 -1.20 114.58 119.02 2ys8 h GLU 66 Ca 0.59 0.05 0.13 0.00 -1.18 0.00 0.00 59.36 58.94 2ys8 h GLU 66 Cb 1.23 0.17 -0.09 0.00 -0.16 0.00 0.00 28.75 29.90 2ys8 h GLU 66 CO -0.88 -0.49 0.36 0.22 -1.18 0.00 0.00 179.01 177.04 2ys8 h ASP 67 N -0.76 0.41 -0.21 1.04 1.82 -1.06 -1.87 116.42 115.80 2ys8 h ASP 67 Ca -0.03 0.09 0.06 0.00 -0.39 0.00 0.00 57.03 56.75 2ys8 h ASP 67 Cb 0.69 0.03 -0.06 0.00 0.68 0.00 0.00 39.33 40.67 2ys8 h ASP 67 CO -0.13 0.19 -0.21 0.00 -1.61 0.00 0.00 179.24 177.49 2ys8 h ALA 68 N 1.51 -0.09 -0.68 -0.78 0.00 -0.58 -0.52 119.26 118.11 2ys8 h ALA 68 Ca 0.40 0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.45 2ys8 h ALA 68 Cb 0.54 0.43 -0.06 0.00 0.00 0.00 0.00 17.79 18.70 2ys8 h ALA 68 CO -0.34 -0.64 0.37 0.35 0.00 0.00 0.00 179.25 178.99 2ys8 h PHE 69 N -0.22 0.69 -0.27 0.00 3.57 -0.44 -1.47 116.94 118.79 2ys8 h PHE 69 Ca 0.13 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.67 2ys8 h PHE 69 Cb 0.41 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 2ys8 h PHE 69 CO -0.35 0.31 0.13 0.87 -2.23 0.00 0.00 178.31 177.04 2ys8 h LYS 70 N 0.68 0.26 -0.28 1.11 1.57 -0.75 -2.72 116.57 116.44 2ys8 h LYS 70 Ca 0.31 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 59.10 2ys8 h LYS 70 Cb 0.22 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.45 2ys8 h LYS 70 CO -0.20 0.17 0.12 0.00 -0.57 0.00 0.00 179.45 178.97 2ys8 h ALA 71 N 1.15 0.33 -0.49 3.86 0.00 -0.55 -2.69 119.26 120.87 2ys8 h ALA 71 Ca 0.11 0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.13 2ys8 h ALA 71 Cb 0.05 -0.02 -0.10 0.00 0.00 0.00 0.00 17.79 17.71 2ys8 h ALA 71 CO -0.09 -0.28 -0.33 0.28 0.00 0.00 0.00 179.25 178.83 2ys8 h VAL 72 N 0.26 0.20 0.14 0.00 2.07 -0.99 -0.79 116.25 117.15 2ys8 h VAL 72 Ca 0.12 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.66 2ys8 h VAL 72 Cb 0.06 0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 29.99 2ys8 h VAL 72 CO -0.10 0.00 -0.38 0.58 0.02 0.00 0.00 177.57 177.69 2ys8 h VAL 73 N -0.21 0.21 -0.93 2.57 2.07 -1.28 0.21 116.25 118.90 2ys8 h VAL 73 Ca 0.20 0.00 0.27 0.00 0.82 0.00 0.00 66.70 67.99 2ys8 h VAL 73 Cb 0.54 0.21 -0.04 0.00 -1.52 0.00 0.00 31.29 30.49 2ys8 h VAL 73 CO -0.60 0.00 0.68 0.78 0.02 0.00 0.00 177.57 178.45 2ys8 h ASN 74 N -0.63 0.00 0.01 0.57 2.35 -1.05 0.16 115.58 116.99 2ys8 h ASN 74 Ca 0.02 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.77 2ys8 h ASN 74 Cb 0.65 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.02 2ys8 h ASN 74 CO -0.21 0.00 -0.00 0.00 -1.65 0.00 0.00 177.43 175.57 2ys8 h ALA 75 N 1.51 -0.01 0.24 -0.83 0.00 0.34 -3.23 119.26 117.27 2ys8 h ALA 75 Ca 0.44 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.34 2ys8 h ALA 75 Cb 1.80 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.58 2ys8 h ALA 75 CO -0.00 -0.01 -0.22 -0.09 0.00 0.00 0.00 179.25 178.93 2ys8 h ARG 76 N -0.80 -0.43 -0.89 0.00 2.43 -0.18 -0.85 114.38 113.66 2ys8 h ARG 76 Ca -0.00 0.03 0.25 0.00 -0.81 0.00 0.00 59.98 59.45 2ys8 h ARG 76 Cb 0.01 0.10 -0.17 0.00 -0.42 0.00 0.00 29.97 29.49 2ys8 h ARG 76 CO 0.00 -0.29 0.05 2.41 -1.51 0.00 0.00 179.97 180.63 2ys8 n THR 77 N -3.64 -0.38 0.15 0.20 -1.04 0.51 0.29 114.28 110.38 2ys8 n THR 77 Ca -0.05 1.96 -0.14 0.00 -2.04 0.00 0.00 64.05 63.77 2ys8 n THR 77 Cb 0.20 -2.88 -0.08 0.00 -1.82 0.00 0.00 70.33 65.75 2ys8 n THR 77 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2ys8 h ALA 78 N 1.79 -0.36 0.10 2.41 0.00 -1.50 -2.94 119.26 118.75 2ys8 h ALA 78 Ca 0.56 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.34 2ys8 h ALA 78 Cb 1.17 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 19.06 2ys8 h ALA 78 CO -0.83 -0.62 -0.50 -0.07 0.00 0.00 0.00 179.25 177.23 2ys8 h LEU 79 N -0.53 -1.50 -0.99 0.00 3.38 0.13 -2.69 115.31 113.11 2ys8 h LEU 79 Ca -0.04 0.16 0.09 0.00 0.09 0.00 0.00 57.88 58.18 2ys8 h LEU 79 Cb 0.39 0.56 -0.12 0.00 0.09 0.00 0.00 40.66 41.58 2ys8 h LEU 79 CO 0.06 -0.52 -0.58 0.18 0.09 0.00 0.00 178.44 177.68 2ys8 n LEU 80 N -5.27 -1.03 -0.32 1.67 4.77 -0.28 0.90 117.00 117.43 2ys8 n LEU 80 Ca -0.08 1.76 0.32 0.00 -0.03 0.00 0.00 56.01 57.98 2ys8 n LEU 80 Cb 0.38 -0.23 0.58 0.00 -2.33 0.00 0.00 43.42 41.82 2ys8 n LEU 80 CO 0.14 -1.44 1.04 0.29 -1.33 0.00 0.00 177.39 176.10 2ys8 n LYS 81 N -5.24 -0.06 0.07 3.23 5.02 -1.02 0.21 118.16 120.37 2ys8 n LYS 81 Ca 0.02 1.34 -0.13 0.00 -2.02 0.00 0.00 58.31 57.53 2ys8 n LYS 81 Cb 0.26 -2.43 -0.05 0.00 -0.02 0.00 0.00 35.03 32.80 2ys8 n LYS 81 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 2ys8 h ASN 82 N 0.00 0.51 0.00 4.39 -0.26 0.62 -3.16 115.58 117.68 2ys8 h ASN 82 Ca 0.83 -0.42 0.00 0.00 -0.56 0.00 0.00 56.30 56.16 2ys8 h ASN 82 Cb 2.23 -0.16 0.00 0.00 -1.06 0.00 0.00 38.32 39.33 2ys8 h ASN 82 CO -0.74 1.22 0.47 0.40 -1.06 0.00 0.00 177.43 177.72 2ys8 h ILE 83 N 0.21 0.00 0.00 2.81 1.08 0.39 0.22 117.51 122.23 2ys8 h ILE 83 Ca -0.08 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.39 2ys8 h ILE 83 Cb 1.60 0.39 0.00 0.00 -3.07 0.00 0.00 36.82 35.74 2ys8 h ILE 83 CO 0.16 0.00 0.00 0.29 -0.69 0.00 0.00 178.15 177.91 2ys8 n LYS 84 N -2.49 0.85 -0.51 2.37 5.02 -1.15 -4.88 118.16 117.38 2ys8 n LYS 84 Ca -0.01 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.05 2ys8 n LYS 84 Cb 0.49 -1.34 0.18 0.00 -0.02 0.00 0.00 35.03 34.34 2ys8 n LYS 84 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2ys8 n SER 85 N -0.04 -3.04 0.00 4.39 3.41 0.78 -4.48 113.62 114.64 2ys8 n SER 85 Ca 0.00 -0.41 0.00 0.00 -0.26 0.00 0.00 58.87 58.20 2ys8 n SER 85 Cb 0.17 -0.85 0.00 0.00 -0.26 0.00 0.00 64.21 63.27 2ys8 n SER 85 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ys8 n GLY 86 N 2.24 2.43 3.57 5.00 0.00 -1.26 -4.98 105.19 112.20 2ys8 n GLY 86 Ca 0.06 -0.70 -0.28 0.00 0.00 0.00 0.00 46.02 45.10 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 2.53 -0.03 1.61 0.04 -1.26 -4.88 135.00 133.00 2ys8 s PRO 87 Ca 0.00 -0.84 -0.10 0.00 0.04 0.00 0.00 61.00 60.10 2ys8 s PRO 87 Cb 0.00 -5.18 0.02 0.00 0.04 0.00 0.00 34.50 29.38 2ys8 s PRO 87 CO 0.00 -3.75 0.23 0.45 0.04 0.00 0.00 177.00 173.97 2ys8 s SER 88 N 7.06 -0.14 -0.15 6.66 0.15 -1.26 -5.07 113.70 120.96 2ys8 s SER 88 Ca 0.69 0.12 -0.23 0.00 0.70 0.00 0.00 55.95 57.23 2ys8 s SER 88 Cb -0.03 0.34 -0.24 0.00 -1.71 0.00 0.00 66.02 64.38 2ys8 s SER 88 CO 0.08 -0.30 0.54 -1.28 1.20 0.00 0.00 173.24 173.48 2ys8 h SER 89 N 4.64 0.12 0.00 5.45 0.87 -2.07 -3.55 113.55 119.00 2ys8 h SER 89 Ca -0.29 -0.79 0.00 0.00 -1.23 0.00 0.00 61.79 59.48 2ys8 h SER 89 Cb 1.19 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.11 2ys8 h SER 89 CO 0.39 1.34 0.00 0.61 -0.53 0.00 0.00 176.83 178.63