#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ysm n SER 2 N 0.00 1.42 -3.65 1.61 2.88 -1.26 -4.99 113.62 109.64 2ysm n SER 2 Ca 0.00 1.12 -0.02 0.00 -1.33 0.00 0.00 58.87 58.65 2ysm n SER 2 Cb 0.00 -1.33 -0.06 0.00 -0.75 0.00 0.00 64.21 62.06 2ysm n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2ysm s SER 3 N -0.60 -0.32 -0.36 -3.46 0.15 -1.26 -5.13 113.70 102.72 2ysm s SER 3 Ca 0.60 0.53 -0.23 0.00 0.70 0.00 0.00 55.95 57.55 2ysm s SER 3 Cb -0.63 1.03 0.01 0.00 -1.71 0.00 0.00 66.02 64.72 2ysm s SER 3 CO 0.59 -0.09 0.75 -0.83 1.20 0.00 0.00 173.24 174.87 2ysm s GLY 4 N 1.03 1.68 0.10 9.45 0.00 -1.26 -4.86 107.32 113.46 2ysm s GLY 4 Ca -0.06 -0.68 0.00 0.00 0.00 0.00 0.00 44.72 43.98 2ysm s GLY 4 CO -0.12 1.70 0.00 -1.26 0.00 0.00 0.00 173.10 173.42 2ysm n SER 5 N 6.32 0.98 0.14 1.64 2.88 -1.26 -4.92 113.62 119.41 2ysm n SER 5 Ca 0.02 0.14 -0.06 0.00 -1.33 0.00 0.00 58.87 57.64 2ysm n SER 5 Cb 0.48 -0.29 -0.03 0.00 -0.75 0.00 0.00 64.21 63.63 2ysm n SER 5 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2ysm h SER 6 N 0.00 -0.35 0.00 -3.46 0.87 -2.03 -3.50 113.55 105.09 2ysm h SER 6 Ca 0.00 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 2ysm h SER 6 Cb 0.00 0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.05 2ysm h SER 6 CO 0.00 -0.06 0.00 0.61 -0.53 0.00 0.00 176.83 176.85 2ysm n GLY 7 N 0.37 1.61 3.55 5.77 0.00 -1.26 -5.02 105.19 110.21 2ysm n GLY 7 Ca -0.05 -0.52 -0.41 0.00 0.00 0.00 0.00 46.02 45.03 2ysm n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ysm s ALA 8 N -1.48 2.76 0.30 4.61 0.00 -1.26 -4.95 121.76 121.74 2ysm s ALA 8 Ca 0.00 -1.77 0.03 0.00 0.00 0.00 0.00 51.96 50.22 2ysm s ALA 8 Cb 0.00 -4.35 -0.04 0.00 0.00 0.00 0.00 23.12 18.74 2ysm s ALA 8 CO 0.00 -3.39 0.16 -0.80 0.00 0.00 0.00 175.76 171.72 2ysm s ASN 9 N 4.23 1.48 0.43 0.00 0.01 -1.26 -4.87 114.94 114.95 2ysm s ASN 9 Ca 0.39 -1.55 -0.25 0.00 -0.71 0.00 0.00 52.86 50.74 2ysm s ASN 9 Cb -0.05 0.38 -0.08 0.00 0.41 0.00 0.00 41.25 41.91 2ysm s ASN 9 CO 0.04 -0.88 1.32 0.00 -1.51 0.00 0.00 177.10 176.07 2ysm n ALA 11 N -0.12 2.47 -0.05 0.00 0.00 -1.16 -2.04 120.51 119.62 2ysm n ALA 11 Ca 0.05 -0.73 -0.08 0.00 0.00 0.00 0.00 53.44 52.68 2ysm n ALA 11 Cb 0.44 -0.99 -0.04 0.00 0.00 0.00 0.00 19.45 18.86 2ysm n ALA 11 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2ysm n VAL 12 N 0.86 0.50 -0.06 0.00 0.31 -1.26 -4.81 118.33 113.87 2ysm n VAL 12 Ca 0.17 -0.16 -0.05 0.00 -0.01 0.00 0.00 64.34 64.30 2ysm n VAL 12 Cb 0.46 -1.27 -0.12 0.00 -0.91 0.00 0.00 33.84 32.01 2ysm n VAL 12 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ysm n ASP 14 N -2.47 -2.50 -3.99 0.00 -0.08 -0.87 -5.00 116.55 101.65 2ysm n ASP 14 Ca -0.21 -0.21 -0.11 0.00 -1.51 0.00 0.00 54.79 52.75 2ysm n ASP 14 Cb 0.89 -2.14 -0.12 0.00 2.34 0.00 0.00 41.12 42.09 2ysm n ASP 14 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 2ysm s SER 15 N -3.37 0.42 0.03 1.67 0.01 -1.26 -4.80 113.70 106.41 2ysm s SER 15 Ca 0.07 -0.43 -0.21 0.00 1.31 0.00 0.00 55.95 56.69 2ysm s SER 15 Cb -0.03 0.06 -0.15 0.00 0.21 0.00 0.00 66.02 66.11 2ysm s SER 15 CO 0.26 -0.21 1.34 1.55 0.41 0.00 0.00 173.24 176.59 2ysm h PRO 16 N 4.87 0.31 0.00 12.44 0.13 -1.97 -3.15 132.00 144.64 2ysm h PRO 16 Ca -0.32 -0.17 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2ysm h PRO 16 Cb 1.21 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2ysm h PRO 16 CO 0.43 0.71 0.00 0.41 -0.23 0.00 0.00 178.00 179.32 2ysm n GLY 17 N 0.20 1.78 3.75 1.56 0.00 -1.26 -4.25 105.19 106.97 2ysm n GLY 17 Ca -0.06 0.18 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 2ysm n GLY 17 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2ysm s ASP 18 N -3.18 5.74 -0.11 1.61 -1.08 -1.26 -5.00 116.67 113.38 2ysm s ASP 18 Ca 0.00 0.26 0.10 0.00 -0.52 0.00 0.00 52.55 52.40 2ysm s ASP 18 Cb 0.00 -1.77 -0.24 0.00 -1.46 0.00 0.00 42.92 39.45 2ysm s ASP 18 CO 0.00 0.36 0.40 0.18 0.52 0.00 0.00 175.17 176.64 2ysm n LEU 19 N 2.26 1.08 0.09 -1.34 7.99 -1.26 -3.93 117.00 121.88 2ysm n LEU 19 Ca -0.19 0.24 -0.11 0.00 -0.01 0.00 0.00 56.01 55.94 2ysm n LEU 19 Cb 0.54 -0.02 -0.07 0.00 -0.11 0.00 0.00 43.42 43.75 2ysm n LEU 19 CO 0.30 0.53 0.40 -0.07 -1.51 0.00 0.00 177.39 177.04 2ysm h LEU 20 N 0.01 -0.24 -0.77 2.23 4.07 -1.96 -3.28 115.31 115.37 2ysm h LEU 20 Ca -0.40 -0.28 0.17 0.00 0.08 0.00 0.00 57.88 57.46 2ysm h LEU 20 Cb 2.07 0.06 -0.11 0.00 1.08 0.00 0.00 40.66 43.76 2ysm h LEU 20 CO 0.06 0.27 0.21 0.44 -1.08 0.00 0.00 178.44 178.33 2ysm h ASP 21 N -0.88 0.05 -4.12 -0.43 3.32 -1.98 -3.41 116.42 108.96 2ysm h ASP 21 Ca -0.03 0.15 -0.47 0.00 0.02 0.00 0.00 57.03 56.70 2ysm h ASP 21 Cb 0.51 0.20 0.14 0.00 0.22 0.00 0.00 39.33 40.39 2ysm h ASP 21 CO 0.05 -0.04 0.27 0.00 -1.72 0.00 0.00 179.24 177.80 2ysm s GLN 22 N -6.02 1.20 0.26 3.56 -2.07 -1.24 -4.29 119.66 111.06 2ysm s GLN 22 Ca -0.13 0.55 0.07 0.00 -1.82 0.00 0.00 55.36 54.03 2ysm s GLN 22 Cb 0.22 -1.82 -0.04 0.00 -1.09 0.00 0.00 33.01 30.28 2ysm s GLN 22 CO 0.76 -2.21 0.19 -0.06 -1.32 0.00 0.00 175.29 172.65 2ysm s PHE 23 N -3.09 3.07 -0.25 9.60 0.40 0.05 -4.91 117.98 122.84 2ysm s PHE 23 Ca 0.63 -0.13 0.01 0.00 -0.60 0.00 0.00 56.93 56.84 2ysm s PHE 23 Cb -0.16 -1.42 0.07 0.00 0.51 0.00 0.00 43.02 42.01 2ysm s PHE 23 CO 0.55 0.50 -0.04 0.12 0.70 0.00 0.00 175.22 177.05 2ysm s PHE 24 N -2.16 2.56 0.76 0.36 5.36 -1.26 -2.73 117.98 120.88 2ysm s PHE 24 Ca 0.33 -1.93 -0.15 0.00 -0.96 0.00 0.00 56.93 54.23 2ysm s PHE 24 Cb -0.08 -1.74 0.02 0.00 -0.34 0.00 0.00 43.02 40.88 2ysm s PHE 24 CO 0.25 -0.81 0.93 0.00 -1.46 0.00 0.00 175.22 174.13 2ysm n THR 26 N -2.79 1.35 0.10 0.00 -2.24 -1.23 -3.34 114.28 106.13 2ysm n THR 26 Ca 0.12 -0.76 -0.04 0.00 -2.27 0.00 0.00 64.05 61.10 2ysm n THR 26 Cb 0.50 -0.67 -0.02 0.00 -2.10 0.00 0.00 70.33 68.04 2ysm n THR 26 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2ysm h THR 27 N 0.00 0.00 0.09 4.28 2.02 -1.93 -3.40 112.91 113.98 2ysm h THR 27 Ca -0.53 -0.26 -0.26 0.00 0.77 0.00 0.00 66.41 66.13 2ysm h THR 27 Cb 2.12 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 68.52 2ysm h THR 27 CO 0.00 0.00 -1.36 0.00 0.37 0.00 0.00 175.52 174.53 2ysm n GLY 29 N 1.70 0.97 4.00 0.00 0.00 -1.21 -5.04 105.19 105.61 2ysm n GLY 29 Ca -0.26 -0.18 -0.22 0.00 0.00 0.00 0.00 46.02 45.36 2ysm n GLY 29 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ysm s GLN 30 N -1.30 1.92 0.01 1.61 -1.52 -1.26 -4.77 119.66 114.36 2ysm s GLN 30 Ca 0.00 -1.25 0.07 0.00 -1.95 0.00 0.00 55.36 52.23 2ysm s GLN 30 Cb 0.00 -2.44 -0.02 0.00 -0.22 0.00 0.00 33.01 30.33 2ysm s GLN 30 CO 0.00 -1.22 -0.23 -1.01 -0.25 0.00 0.00 175.29 172.59 2ysm s HIS 31 N -2.97 2.01 -0.21 0.91 3.76 -1.26 -2.38 115.29 115.15 2ysm s HIS 31 Ca 0.64 -0.38 -0.09 0.00 -0.15 0.00 0.00 55.06 55.08 2ysm s HIS 31 Cb -0.06 -1.25 0.08 0.00 1.11 0.00 0.00 32.58 32.46 2ysm s HIS 31 CO 0.42 0.03 0.48 0.71 -0.85 0.00 0.00 174.74 175.53 2ysm s TYR 32 N -0.65 -0.82 0.71 1.40 2.02 -1.10 -2.98 117.35 115.93 2ysm s TYR 32 Ca 0.09 1.60 -0.13 0.00 -0.37 0.00 0.00 57.07 58.26 2ysm s TYR 32 Cb -0.09 0.39 0.02 0.00 -0.40 0.00 0.00 41.96 41.88 2ysm s TYR 32 CO 0.00 -0.45 1.09 -1.01 -1.57 0.00 0.00 175.55 173.61 2ysm s HIS 33 N 2.03 2.69 0.33 2.71 3.76 -1.26 -0.77 115.29 124.78 2ysm s HIS 33 Ca -0.06 1.53 0.08 0.00 -0.15 0.00 0.00 55.06 56.46 2ysm s HIS 33 Cb -0.10 -3.07 0.59 0.00 1.11 0.00 0.00 32.58 31.12 2ysm s HIS 33 CO -0.14 -1.64 1.79 0.78 -0.85 0.00 0.00 174.74 174.68 2ysm h GLY 34 N -0.54 0.26 0.01 -2.22 0.00 -1.87 -3.10 103.07 95.60 2ysm h GLY 34 Ca -0.45 -0.21 -0.00 0.00 0.00 0.00 0.00 47.33 46.67 2ysm h GLY 34 CO 0.53 0.19 -0.00 1.98 0.00 0.00 0.00 176.54 179.24 2ysm h MET 35 N 0.22 -0.00 -1.00 4.80 1.85 -1.93 0.43 114.93 119.30 2ysm h MET 35 Ca 0.03 0.00 0.37 0.00 -0.61 0.00 0.00 59.70 59.49 2ysm h MET 35 Cb 0.63 0.00 -0.18 0.00 0.43 0.00 0.00 31.60 32.48 2ysm h MET 35 CO 0.05 0.68 0.41 0.00 -0.40 0.00 0.00 176.91 177.64 2ysm n LEU 37 N -5.30 0.54 -2.07 0.00 4.32 -1.17 -4.99 117.00 108.32 2ysm n LEU 37 Ca 0.34 0.07 -0.10 0.00 -0.02 0.00 0.00 56.01 56.29 2ysm n LEU 37 Cb 1.12 -0.06 0.04 0.00 -1.62 0.00 0.00 43.42 42.90 2ysm n LEU 37 CO -0.00 -0.03 0.10 0.47 -1.22 0.00 0.00 177.39 176.71 2ysm n ASP 38 N -2.22 -3.35 -4.72 -1.43 8.00 0.45 -5.04 116.55 108.24 2ysm n ASP 38 Ca -0.00 -0.28 -0.31 0.00 0.71 0.00 0.00 54.79 54.91 2ysm n ASP 38 Cb 0.50 -2.72 -0.08 0.00 -0.02 0.00 0.00 41.12 38.80 2ysm n ASP 38 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2ysm s ILE 39 N -3.16 4.25 -0.45 0.53 1.01 0.13 -4.99 121.20 118.52 2ysm s ILE 39 Ca 0.18 -0.77 -0.24 0.00 0.00 0.00 0.00 60.65 59.81 2ysm s ILE 39 Cb -0.08 -2.99 0.03 0.00 0.01 0.00 0.00 42.46 39.43 2ysm s ILE 39 CO 0.35 0.21 0.87 0.00 0.00 0.00 0.00 174.94 176.38 2ysm s ALA 40 N -1.26 3.27 -0.15 9.38 0.00 -1.26 -4.65 121.76 127.09 2ysm s ALA 40 Ca 0.25 -0.85 -0.32 0.00 0.00 0.00 0.00 51.96 51.03 2ysm s ALA 40 Cb -0.12 -3.57 -0.10 0.00 0.00 0.00 0.00 23.12 19.34 2ysm s ALA 40 CO 0.17 -1.97 2.04 0.28 0.00 0.00 0.00 175.76 176.27 2ysm n VAL 41 N 6.28 0.48 -4.22 0.00 0.31 -1.26 -4.96 118.33 114.96 2ysm n VAL 41 Ca 0.05 -0.23 -0.16 0.00 -0.01 0.00 0.00 64.34 63.99 2ysm n VAL 41 Cb 0.48 -2.08 -0.11 0.00 -0.91 0.00 0.00 33.84 31.23 2ysm n VAL 41 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 2ysm s THR 42 N 5.82 1.14 -2.00 2.52 -4.23 -1.26 -5.02 115.64 112.61 2ysm s THR 42 Ca 0.97 -1.75 0.11 0.00 -1.18 0.00 0.00 61.69 59.84 2ysm s THR 42 Cb -0.60 -1.52 0.30 0.00 1.34 0.00 0.00 72.50 72.03 2ysm s THR 42 CO 0.46 -0.54 1.07 -0.81 -0.54 0.00 0.00 174.62 174.26 2ysm n PRO 43 N 0.40 0.49 -0.12 3.99 -0.04 -1.26 -2.79 135.00 135.67 2ysm n PRO 43 Ca -0.15 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.06 2ysm n PRO 43 Cb 0.58 -1.34 -0.09 0.00 -0.04 0.00 0.00 33.50 32.61 2ysm n PRO 43 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2ysm n LEU 44 N -0.84 1.79 -0.02 1.53 0.00 -1.26 -4.51 117.00 113.69 2ysm n LEU 44 Ca 0.08 0.26 -0.11 0.00 0.00 0.00 0.00 56.01 56.24 2ysm n LEU 44 Cb 0.04 -0.72 -0.06 0.00 0.00 0.00 0.00 43.42 42.68 2ysm n LEU 44 CO 0.06 0.53 0.85 0.11 0.00 0.00 0.00 177.39 178.94 2ysm h LYS 45 N -0.80 0.16 -0.99 1.96 1.57 -1.71 -2.83 116.57 113.93 2ysm h LYS 45 Ca -0.61 -0.02 0.35 0.00 -1.87 0.00 0.00 60.65 58.50 2ysm h LYS 45 Cb 1.55 -0.03 -0.18 0.00 0.08 0.00 0.00 32.23 33.66 2ysm h LYS 45 CO -0.35 0.23 0.34 0.00 -0.57 0.00 0.00 179.45 179.10 2ysm h ARG 46 N 0.05 0.03 -5.65 3.15 3.08 -1.78 -2.21 114.38 111.06 2ysm h ARG 46 Ca 0.04 -0.00 -0.46 0.00 0.07 0.00 0.00 59.98 59.62 2ysm h ARG 46 Cb 0.12 -0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.17 2ysm h ARG 46 CO -0.00 0.02 1.61 0.00 -1.07 0.00 0.00 179.97 180.52 2ysm s ALA 47 N -5.72 1.68 -1.44 0.04 0.00 -1.07 -2.86 121.76 112.39 2ysm s ALA 47 Ca -0.11 -0.04 -0.06 0.00 0.00 0.00 0.00 51.96 51.75 2ysm s ALA 47 Cb 0.32 -4.34 0.04 0.00 0.00 0.00 0.00 23.12 19.13 2ysm s ALA 47 CO 0.78 -4.42 0.71 0.41 0.00 0.00 0.00 175.76 173.24 2ysm n GLY 48 N 5.97 -0.34 3.27 0.00 0.00 -1.26 -4.87 105.19 107.96 2ysm n GLY 48 Ca 0.35 0.15 -0.36 0.00 0.00 0.00 0.00 46.02 46.16 2ysm n GLY 48 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 2ysm n TRP 49 N -4.43 -2.72 -4.48 1.61 -0.00 -0.83 -4.73 117.44 101.86 2ysm n TRP 49 Ca -0.17 0.24 -0.28 0.00 -0.00 0.00 0.00 57.50 57.29 2ysm n TRP 49 Cb 0.62 -1.70 -0.17 0.00 -0.00 0.00 0.00 31.31 30.06 2ysm n TRP 49 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 177.69 177.04 2ysm s GLN 50 N -2.26 2.22 0.69 5.87 -0.21 -1.26 -3.57 119.66 121.14 2ysm s GLN 50 Ca 0.55 -0.56 -0.13 0.00 0.02 0.00 0.00 55.36 55.24 2ysm s GLN 50 Cb -0.31 -1.88 0.01 0.00 1.00 0.00 0.00 33.01 31.83 2ysm s GLN 50 CO 0.69 -0.05 1.08 0.00 -2.12 0.00 0.00 175.29 174.88 2ysm n PRO 52 N -2.86 0.20 0.03 0.00 -0.04 -1.26 -0.04 135.00 131.03 2ysm n PRO 52 Ca 0.09 0.15 0.11 0.00 -0.04 0.00 0.00 63.50 63.81 2ysm n PRO 52 Cb 0.53 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.41 2ysm n PRO 52 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2ysm n GLU 53 N -1.29 0.53 -0.03 0.54 -0.58 -1.26 -4.43 120.64 114.11 2ysm n GLU 53 Ca 0.07 -0.06 -0.03 0.00 -0.42 0.00 0.00 57.16 56.71 2ysm n GLU 53 Cb 0.12 -1.62 -0.06 0.00 -0.57 0.00 0.00 31.44 29.32 2ysm n GLU 53 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2ysm n LYS 55 N -2.26 1.44 -3.80 0.00 4.81 0.94 -4.98 118.16 114.30 2ysm n LYS 55 Ca -0.11 0.53 -0.08 0.00 -0.87 0.00 0.00 58.31 57.77 2ysm n LYS 55 Cb 0.73 -2.42 -0.03 0.00 0.02 0.00 0.00 35.03 33.33 2ysm n LYS 55 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 2ysm s VAL 56 N -1.34 0.01 0.71 3.15 -7.23 -1.26 -4.94 120.40 109.49 2ysm s VAL 56 Ca 0.72 -0.89 -0.16 0.00 -1.81 0.00 0.00 61.98 59.84 2ysm s VAL 56 Cb -0.43 -1.83 0.00 0.00 0.56 0.00 0.00 36.38 34.69 2ysm s VAL 56 CO 0.49 -0.02 0.97 0.00 -0.31 0.00 0.00 175.10 176.23 2ysm n GLN 58 N -1.80 0.73 -0.01 0.00 1.13 -1.12 -3.02 117.38 113.28 2ysm n GLN 58 Ca 0.13 -0.10 -0.20 0.00 -1.94 0.00 0.00 57.00 54.89 2ysm n GLN 58 Cb 0.49 -1.28 -0.14 0.00 0.11 0.00 0.00 30.24 29.42 2ysm n GLN 58 CO 0.00 0.00 0.00 -0.91 -1.44 0.00 0.00 177.06 174.71 2ysm h ASN 59 N 0.00 0.28 0.00 1.08 2.35 -1.91 -3.40 115.58 113.98 2ysm h ASN 59 Ca 0.00 -0.87 -0.23 0.00 -0.55 0.00 0.00 56.30 54.65 2ysm h ASN 59 Cb 0.56 -0.09 -0.04 0.00 0.05 0.00 0.00 38.32 38.79 2ysm h ASN 59 CO 0.00 1.41 -1.87 0.00 -1.65 0.00 0.00 177.43 175.32 2ysm n LYS 61 N -2.51 -4.17 -3.72 0.00 4.76 -1.17 -5.03 118.16 106.31 2ysm n LYS 61 Ca -0.21 0.54 -0.27 0.00 -2.87 0.00 0.00 58.31 55.50 2ysm n LYS 61 Cb 0.90 -4.63 -0.17 0.00 -1.84 0.00 0.00 35.03 29.30 2ysm n LYS 61 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 2ysm s GLN 62 N -4.85 0.57 -0.06 1.97 -0.21 -1.26 -4.89 119.66 110.92 2ysm s GLN 62 Ca 0.00 -0.29 -0.28 0.00 0.02 0.00 0.00 55.36 54.81 2ysm s GLN 62 Cb -0.00 -1.89 -0.02 0.00 1.00 0.00 0.00 33.01 32.10 2ysm s GLN 62 CO 0.46 -0.59 0.93 -1.54 -2.12 0.00 0.00 175.29 172.44 2ysm s SER 63 N 1.91 7.23 0.04 5.90 1.04 -1.26 -4.53 113.70 124.03 2ysm s SER 63 Ca 0.00 1.49 0.00 0.00 0.48 0.00 0.00 55.95 57.93 2ysm s SER 63 Cb -0.16 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.43 2ysm s SER 63 CO -0.08 -0.32 0.00 0.61 0.98 0.00 0.00 173.24 174.44 2ysm n GLY 64 N 3.06 -0.82 3.39 7.32 0.00 -1.26 -5.06 105.19 111.82 2ysm n GLY 64 Ca 0.06 0.30 -0.45 0.00 0.00 0.00 0.00 46.02 45.93 2ysm n GLY 64 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ysm s GLU 65 N -2.00 3.76 -0.05 1.61 8.01 -1.26 -4.86 118.70 123.91 2ysm s GLU 65 Ca 0.00 -2.35 -0.22 0.00 0.01 0.00 0.00 54.97 52.41 2ysm s GLU 65 Cb 0.00 -4.71 -0.17 0.00 -4.31 0.00 0.00 34.13 24.94 2ysm s GLU 65 CO 0.00 -1.52 0.91 -0.44 0.01 0.00 0.00 175.26 174.22 2ysm h ASP 66 N 7.89 -0.14 -0.18 -0.19 5.19 -1.97 -1.76 116.42 125.25 2ysm h ASP 66 Ca 0.17 -0.42 0.04 0.00 -0.62 0.00 0.00 57.03 56.20 2ysm h ASP 66 Cb 0.99 0.04 -0.07 0.00 0.18 0.00 0.00 39.33 40.46 2ysm h ASP 66 CO 0.98 0.44 -0.49 -1.28 -3.12 0.00 0.00 179.24 175.77 2ysm h SER 67 N -0.82 -1.58 -0.83 6.45 0.87 -2.05 -1.44 113.55 114.16 2ysm h SER 67 Ca -0.02 0.20 0.01 0.00 -1.23 0.00 0.00 61.79 60.76 2ysm h SER 67 Cb 0.55 0.63 -0.04 0.00 -0.44 0.00 0.00 62.40 63.10 2ysm h SER 67 CO 0.03 -0.45 0.55 0.11 -0.53 0.00 0.00 176.83 176.54 2ysm h LYS 68 N -0.51 1.08 -6.20 2.24 1.57 -1.98 -3.43 116.57 109.34 2ysm h LYS 68 Ca 0.06 -0.06 -0.71 0.00 -1.87 0.00 0.00 60.65 58.06 2ysm h LYS 68 Cb 0.65 -0.24 0.03 0.00 0.08 0.00 0.00 32.23 32.75 2ysm h LYS 68 CO -0.45 0.71 0.72 -0.12 -0.57 0.00 0.00 179.45 179.74 2ysm n MET 69 N -4.52 1.17 -2.94 3.15 1.56 -0.54 -4.30 117.12 110.70 2ysm n MET 69 Ca 0.09 0.43 -0.43 0.00 -0.27 0.00 0.00 57.70 57.52 2ysm n MET 69 Cb 0.03 -2.10 -0.05 0.00 2.15 0.00 0.00 33.22 33.25 2ysm n MET 69 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 2ysm s LEU 70 N 2.29 4.17 -0.67 -0.89 1.43 0.21 -4.92 118.68 120.31 2ysm s LEU 70 Ca 0.93 0.10 -0.23 0.00 -1.03 0.00 0.00 54.13 53.89 2ysm s LEU 70 Cb -1.02 -3.02 0.06 0.00 0.03 0.00 0.00 46.19 42.25 2ysm s LEU 70 CO 0.58 -0.86 1.01 -0.69 0.23 0.00 0.00 176.35 176.62 2ysm s VAL 71 N 3.28 4.23 -0.06 -1.59 1.01 -1.26 -2.74 120.40 123.26 2ysm s VAL 71 Ca 0.31 -0.19 -0.38 0.00 0.00 0.00 0.00 61.98 61.72 2ysm s VAL 71 Cb -0.12 -4.71 -0.16 0.00 0.00 0.00 0.00 36.38 31.38 2ysm s VAL 71 CO 0.21 -1.50 1.51 0.00 0.00 0.00 0.00 175.10 175.31 2ysm n ASP 73 N 3.69 2.87 0.00 0.00 9.92 -1.16 -1.66 116.55 130.21 2ysm n ASP 73 Ca 0.22 -2.38 0.00 0.00 -0.53 0.00 0.00 54.79 52.10 2ysm n ASP 73 Cb 0.16 -0.58 0.00 0.00 -0.64 0.00 0.00 41.12 40.07 2ysm n ASP 73 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 2ysm n THR 74 N 0.09 0.00 -0.03 -3.53 -1.04 -1.26 -4.92 114.28 103.59 2ysm n THR 74 Ca 0.13 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 62.13 2ysm n THR 74 Cb 0.71 -1.02 -0.05 0.00 -1.82 0.00 0.00 70.33 68.15 2ysm n THR 74 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2ysm n ASP 76 N -2.14 -3.43 -0.07 0.00 2.03 -0.66 -4.57 116.55 107.70 2ysm n ASP 76 Ca -0.09 -0.54 -0.04 0.00 0.52 0.00 0.00 54.79 54.64 2ysm n ASP 76 Cb 0.61 -4.37 -0.02 0.00 -0.72 0.00 0.00 41.12 36.63 2ysm n ASP 76 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2ysm h LYS 77 N -1.33 0.00 0.00 -0.67 1.79 -1.92 -3.44 116.57 111.00 2ysm h LYS 77 Ca -0.50 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.97 2ysm h LYS 77 Cb 1.27 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.92 2ysm h LYS 77 CO 0.40 0.03 0.00 0.41 -1.08 0.00 0.00 179.45 179.21 2ysm n GLY 78 N 1.64 2.88 3.00 3.86 0.00 -1.26 -4.28 105.19 111.02 2ysm n GLY 78 Ca -0.06 -0.87 -0.14 0.00 0.00 0.00 0.00 46.02 44.95 2ysm n GLY 78 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2ysm s TYR 79 N 0.00 -0.40 1.41 1.61 2.02 -1.11 -2.80 117.35 118.09 2ysm s TYR 79 Ca 0.00 0.93 -0.22 0.00 -0.37 0.00 0.00 57.07 57.41 2ysm s TYR 79 Cb 0.00 -0.05 0.36 0.00 -0.40 0.00 0.00 41.96 41.88 2ysm s TYR 79 CO 0.00 -0.34 0.93 -1.01 -1.57 0.00 0.00 175.55 173.56 2ysm s HIS 80 N 2.33 -0.51 -0.12 2.71 3.76 -1.26 -0.62 115.29 121.59 2ysm s HIS 80 Ca 0.01 0.64 0.17 0.00 -0.15 0.00 0.00 55.06 55.73 2ysm s HIS 80 Cb -0.12 -2.88 -0.13 0.00 1.11 0.00 0.00 32.58 30.56 2ysm s HIS 80 CO -0.08 -4.97 0.84 1.79 -0.85 0.00 0.00 174.74 171.46 2ysm h THR 81 N -3.41 0.51 -0.44 1.30 1.35 -1.84 -3.35 112.91 107.02 2ysm h THR 81 Ca -0.45 -2.00 -0.11 0.00 -0.55 0.00 0.00 66.41 63.29 2ysm h THR 81 Cb 1.34 2.04 -0.07 0.00 -1.73 0.00 0.00 68.15 69.74 2ysm h THR 81 CO 0.30 0.29 0.07 2.22 -0.25 0.00 0.00 175.52 178.15 2ysm n PHE 82 N -2.90 1.49 0.00 4.73 -1.74 -1.26 0.72 117.46 118.50 2ysm n PHE 82 Ca -0.09 -1.14 0.00 0.00 -0.56 0.00 0.00 57.45 55.66 2ysm n PHE 82 Cb 0.84 -0.48 0.00 0.00 1.52 0.00 0.00 39.48 41.36 2ysm n PHE 82 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2ysm s LEU 84 N -2.64 3.14 -0.30 0.00 1.43 -1.26 -4.91 118.68 114.14 2ysm s LEU 84 Ca 0.00 1.51 -0.00 0.00 -1.03 0.00 0.00 54.13 54.61 2ysm s LEU 84 Cb 0.00 -4.45 0.10 0.00 0.03 0.00 0.00 46.19 41.87 2ysm s LEU 84 CO 0.00 -1.24 0.08 0.00 0.23 0.00 0.00 176.35 175.42 2ysm s GLN 85 N -5.11 0.86 1.03 1.70 -2.07 -1.26 -1.56 119.66 113.24 2ysm s GLN 85 Ca 0.57 -1.14 -0.17 0.00 -1.82 0.00 0.00 55.36 52.80 2ysm s GLN 85 Cb -0.13 -2.19 0.26 0.00 -1.09 0.00 0.00 33.01 29.86 2ysm s GLN 85 CO 0.54 -0.94 0.91 -0.35 -1.32 0.00 0.00 175.29 174.14 2ysm n PRO 86 N 4.77 -2.80 -3.17 9.60 -0.04 -1.26 -5.13 135.00 136.97 2ysm n PRO 86 Ca -0.02 -1.46 -0.26 0.00 -0.04 0.00 0.00 63.50 61.71 2ysm n PRO 86 Cb 0.42 -1.37 -0.01 0.00 -0.04 0.00 0.00 33.50 32.50 2ysm n PRO 86 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2ysm s VAL 87 N -2.66 5.03 -1.06 0.52 -7.23 -0.60 -4.95 120.40 109.44 2ysm s VAL 87 Ca 0.59 -0.13 -0.07 0.00 -1.81 0.00 0.00 61.98 60.57 2ysm s VAL 87 Cb -0.06 -3.82 0.27 0.00 0.56 0.00 0.00 36.38 33.33 2ysm s VAL 87 CO 0.46 -0.57 1.08 0.23 -0.31 0.00 0.00 175.10 175.99 2ysm n MET 88 N -1.66 3.43 -0.21 4.82 2.81 0.22 -4.90 117.12 121.63 2ysm n MET 88 Ca -0.02 -4.48 0.20 0.00 -1.81 0.00 0.00 57.70 51.59 2ysm n MET 88 Cb 0.55 -2.51 0.37 0.00 -0.71 0.00 0.00 33.22 30.92 2ysm n MET 88 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2ysm n LYS 89 N 2.45 -0.04 -4.32 0.03 4.76 -1.26 -4.49 118.16 115.29 2ysm n LYS 89 Ca 0.24 0.90 -0.21 0.00 -2.87 0.00 0.00 58.31 56.37 2ysm n LYS 89 Cb 0.38 -1.60 -0.08 0.00 -1.84 0.00 0.00 35.03 31.89 2ysm n LYS 89 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 2ysm s SER 90 N -4.71 1.90 -0.21 4.39 0.01 -1.26 -5.02 113.70 108.80 2ysm s SER 90 Ca -0.06 -1.76 -0.03 0.00 1.31 0.00 0.00 55.95 55.41 2ysm s SER 90 Cb 0.22 0.57 -0.01 0.00 0.21 0.00 0.00 66.02 67.01 2ysm s SER 90 CO 0.50 -1.05 -0.06 -0.69 0.41 0.00 0.00 173.24 172.35 2ysm s VAL 91 N -3.39 3.24 -1.75 3.43 1.01 -1.26 -4.98 120.40 116.71 2ysm s VAL 91 Ca 0.38 -0.54 0.15 0.00 0.00 0.00 0.00 61.98 61.97 2ysm s VAL 91 Cb 0.02 -2.46 0.36 0.00 0.00 0.00 0.00 36.38 34.31 2ysm s VAL 91 CO 0.26 0.45 1.37 -0.81 0.00 0.00 0.00 175.10 176.37 2ysm n PRO 92 N 4.61 0.37 -2.77 2.72 -0.04 -1.26 -4.83 135.00 133.80 2ysm n PRO 92 Ca -0.18 0.06 -0.16 0.00 -0.04 0.00 0.00 63.50 63.18 2ysm n PRO 92 Cb 0.51 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.44 2ysm n PRO 92 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2ysm n THR 93 N -1.13 0.00 -2.45 0.52 -2.24 -1.26 -4.71 114.28 103.01 2ysm n THR 93 Ca 0.10 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.70 2ysm n THR 93 Cb 0.08 -0.18 0.02 0.00 -2.10 0.00 0.00 70.33 68.15 2ysm n THR 93 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2ysm n ASN 94 N -1.22 3.60 -2.56 3.42 4.13 -1.26 -4.98 115.26 116.38 2ysm n ASN 94 Ca 0.04 -3.25 -0.00 0.00 1.68 0.00 0.00 54.58 53.05 2ysm n ASN 94 Cb 0.32 -0.44 0.00 0.00 -1.54 0.00 0.00 39.78 38.12 2ysm n ASN 94 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2ysm n GLY 95 N -0.48 -0.93 3.78 7.41 0.00 -1.26 -4.99 105.19 108.72 2ysm n GLY 95 Ca 0.29 0.26 -0.35 0.00 0.00 0.00 0.00 46.02 46.22 2ysm n GLY 95 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2ysm s TRP 96 N -3.01 2.69 -0.07 1.61 -0.00 -1.26 -4.92 118.94 113.99 2ysm s TRP 96 Ca 0.01 1.55 0.02 0.00 -0.00 0.00 0.00 56.10 57.67 2ysm s TRP 96 Cb -0.00 -3.25 0.01 0.00 -0.00 0.00 0.00 33.47 30.23 2ysm s TRP 96 CO 0.51 -1.53 -0.11 0.21 -0.00 0.00 0.00 176.95 176.02 2ysm s LYS 97 N -3.41 1.63 0.38 5.86 2.20 -1.26 -3.00 119.74 122.14 2ysm s LYS 97 Ca 0.71 -0.38 -0.26 0.00 -0.36 0.00 0.00 55.97 55.69 2ysm s LYS 97 Cb -0.23 -1.39 -0.09 0.00 -1.51 0.00 0.00 37.83 34.62 2ysm s LYS 97 CO 0.29 -0.01 1.13 0.00 -0.36 0.00 0.00 175.35 176.39 2ysm h LYS 99 N 2.79 -0.05 -0.92 0.00 3.11 -2.00 0.62 116.57 120.13 2ysm h LYS 99 Ca -0.48 0.00 0.36 0.00 -2.81 0.00 0.00 60.65 57.72 2ysm h LYS 99 Cb 1.23 0.01 -0.14 0.00 -1.00 0.00 0.00 32.23 32.33 2ysm h LYS 99 CO 0.63 -0.03 0.53 -1.71 -2.81 0.00 0.00 179.45 176.06 2ysm n ASN 100 N -4.90 0.26 -0.06 4.20 2.85 -1.26 0.61 115.26 116.95 2ysm n ASN 100 Ca 0.01 1.31 -0.16 0.00 -0.11 0.00 0.00 54.58 55.63 2ysm n ASN 100 Cb 0.23 -0.64 -0.13 0.00 1.24 0.00 0.00 39.78 40.48 2ysm n ASN 100 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2ysm h ARG 102 N -0.93 0.19 -3.69 0.00 3.08 0.25 -3.42 114.38 109.85 2ysm h ARG 102 Ca -0.06 -0.01 -0.53 0.00 0.07 0.00 0.00 59.98 59.44 2ysm h ARG 102 Cb 1.11 -0.04 0.01 0.00 0.08 0.00 0.00 29.97 31.13 2ysm h ARG 102 CO -0.01 0.13 0.36 -0.89 -1.07 0.00 0.00 179.97 178.49 2ysm n ILE 103 N -4.52 0.00 -3.31 2.04 2.08 -0.23 -4.90 119.36 110.52 2ysm n ILE 103 Ca 0.30 0.00 -0.24 0.00 0.56 0.00 0.00 62.75 63.37 2ysm n ILE 103 Cb 1.18 -0.26 -0.01 0.00 -0.75 0.00 0.00 39.64 39.80 2ysm n ILE 103 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2ysm s ILE 105 N -2.34 5.14 -0.99 0.00 -1.09 -1.26 -5.00 121.20 115.65 2ysm s ILE 105 Ca 0.41 -1.01 -0.08 0.00 -2.23 0.00 0.00 60.65 57.74 2ysm s ILE 105 Cb -0.10 -4.21 0.25 0.00 -1.58 0.00 0.00 42.46 36.82 2ysm s ILE 105 CO 0.37 -0.69 0.94 -0.55 -1.23 0.00 0.00 174.94 173.78 2ysm s SER 106 N 2.81 6.83 0.14 3.58 0.15 -1.26 -5.02 113.70 120.93 2ysm s SER 106 Ca 0.06 -3.41 0.01 0.00 0.70 0.00 0.00 55.95 53.31 2ysm s SER 106 Cb -0.24 -2.13 0.01 0.00 -1.71 0.00 0.00 66.02 61.95 2ysm s SER 106 CO 0.07 -0.32 0.06 0.61 1.20 0.00 0.00 173.24 174.86 2ysm n GLY 107 N 2.91 3.42 3.63 9.45 0.00 -1.26 -5.07 105.19 118.26 2ysm n GLY 107 Ca 0.21 -2.23 -0.43 0.00 0.00 0.00 0.00 46.02 43.57 2ysm n GLY 107 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ysm s PRO 108 N -2.56 3.82 -0.20 1.61 0.04 -1.26 -5.00 135.00 131.46 2ysm s PRO 108 Ca 0.05 1.68 -0.04 0.00 0.04 0.00 0.00 61.00 62.72 2ysm s PRO 108 Cb -0.00 -4.03 -0.02 0.00 0.04 0.00 0.00 34.50 30.49 2ysm s PRO 108 CO 0.03 -1.26 -0.02 -1.12 0.04 0.00 0.00 177.00 174.67 2ysm s SER 109 N 4.13 4.68 1.05 6.66 0.01 -1.26 -5.10 113.70 123.87 2ysm s SER 109 Ca 0.71 -0.24 -0.23 0.00 1.31 0.00 0.00 55.95 57.50 2ysm s SER 109 Cb -0.25 -1.79 -0.04 0.00 0.21 0.00 0.00 66.02 64.15 2ysm s SER 109 CO 0.29 0.06 -0.73 -1.54 0.41 0.00 0.00 173.24 171.73 2ysm n SER 110 N 4.25 -2.68 0.00 2.44 3.41 -1.26 -5.32 113.62 114.46 2ysm n SER 110 Ca -0.17 -0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.36 2ysm n SER 110 Cb 0.52 -0.72 0.00 0.00 -0.26 0.00 0.00 64.21 63.74 2ysm n SER 110 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49