#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ysm s SER 2 N 0.00 -0.52 -0.28 1.61 0.15 -1.26 -5.12 113.70 108.28 2ysm s SER 2 Ca 0.00 0.91 -0.16 0.00 0.70 0.00 0.00 55.95 57.40 2ysm s SER 2 Cb 0.00 0.80 -0.03 0.00 -1.71 0.00 0.00 66.02 65.08 2ysm s SER 2 CO 0.00 -0.19 0.41 -0.94 1.20 0.00 0.00 173.24 173.72 2ysm s SER 3 N 1.27 6.29 0.00 5.45 1.04 -1.26 -4.93 113.70 121.56 2ysm s SER 3 Ca -0.08 0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.64 2ysm s SER 3 Cb -0.08 -2.23 0.00 0.00 0.10 0.00 0.00 66.02 63.82 2ysm s SER 3 CO -0.11 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.48 2ysm n GLY 4 N 4.64 -1.85 4.00 7.32 0.00 -1.26 -5.00 105.19 113.04 2ysm n GLY 4 Ca -0.07 -1.91 -0.21 0.00 0.00 0.00 0.00 46.02 43.82 2ysm n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ysm s SER 5 N -4.00 4.89 -0.13 1.61 1.04 -1.26 -5.13 113.70 110.72 2ysm s SER 5 Ca 0.00 -0.39 -0.09 0.00 0.48 0.00 0.00 55.95 55.95 2ysm s SER 5 Cb 0.00 -0.23 0.04 0.00 0.10 0.00 0.00 66.02 65.93 2ysm s SER 5 CO 0.00 -1.44 0.32 -0.44 0.98 0.00 0.00 173.24 172.66 2ysm s SER 6 N -4.60 -0.37 -0.34 7.02 0.01 -1.26 -5.05 113.70 109.11 2ysm s SER 6 Ca 0.62 0.68 -0.19 0.00 1.31 0.00 0.00 55.95 58.37 2ysm s SER 6 Cb -0.07 0.62 -0.00 0.00 0.21 0.00 0.00 66.02 66.77 2ysm s SER 6 CO 0.40 -0.15 0.58 -0.83 0.41 0.00 0.00 173.24 173.65 2ysm s GLY 7 N 0.84 1.78 -1.47 3.44 0.00 -1.26 -4.25 107.32 106.41 2ysm s GLY 7 Ca -0.05 -0.89 -0.10 0.00 0.00 0.00 0.00 44.72 43.68 2ysm s GLY 7 CO -0.06 1.38 0.92 0.00 0.00 0.00 0.00 173.10 175.34 2ysm n ALA 8 N 5.88 -1.48 -1.44 3.20 0.00 -1.26 -4.85 120.51 120.55 2ysm n ALA 8 Ca -0.03 0.11 -0.43 0.00 0.00 0.00 0.00 53.44 53.09 2ysm n ALA 8 Cb 0.49 -3.87 -0.00 0.00 0.00 0.00 0.00 19.45 16.07 2ysm n ALA 8 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2ysm n ASN 9 N -2.90 -0.95 -4.68 0.00 6.94 -1.26 -4.34 115.26 108.08 2ysm n ASN 9 Ca -0.05 0.97 -0.45 0.00 -0.02 0.00 0.00 54.58 55.03 2ysm n ASN 9 Cb 0.57 -1.07 -0.04 0.00 -2.36 0.00 0.00 39.78 36.88 2ysm n ASN 9 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2ysm n ALA 11 N 5.69 2.18 -0.03 0.00 0.00 -1.22 0.20 120.51 127.33 2ysm n ALA 11 Ca 0.20 -0.06 -0.06 0.00 0.00 0.00 0.00 53.44 53.51 2ysm n ALA 11 Cb 0.33 -1.16 -0.03 0.00 0.00 0.00 0.00 19.45 18.59 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 -0.75 0.37 0.07 0.00 0.31 -1.26 -4.82 118.33 112.25 2ysm n VAL 12 Ca 0.07 -0.12 0.04 0.00 -0.01 0.00 0.00 64.34 64.32 2ysm n VAL 12 Cb 0.03 -1.21 -0.05 0.00 -0.91 0.00 0.00 33.84 31.70 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 -1.62 -3.91 -3.86 0.00 2.03 0.54 -4.91 116.55 104.82 2ysm n ASP 14 Ca -0.01 -0.61 -0.12 0.00 0.52 0.00 0.00 54.79 54.57 2ysm n ASP 14 Cb 0.17 -4.82 -0.14 0.00 -0.72 0.00 0.00 41.12 35.61 2ysm n ASP 14 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2ysm s SER 15 N -3.86 -0.00 -0.02 1.67 0.01 -1.26 -4.69 113.70 105.54 2ysm s SER 15 Ca 0.19 0.01 -0.25 0.00 1.31 0.00 0.00 55.95 57.21 2ysm s SER 15 Cb -0.02 0.01 -0.19 0.00 0.21 0.00 0.00 66.02 66.03 2ysm s SER 15 CO 0.68 -0.01 1.19 1.55 0.41 0.00 0.00 173.24 177.06 2ysm h PRO 16 N 6.19 -0.12 0.00 12.44 0.13 -1.93 -3.22 132.00 145.49 2ysm h PRO 16 Ca -0.25 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 2ysm h PRO 16 Cb 1.21 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2ysm h PRO 16 CO 0.50 0.33 0.00 0.41 -0.23 0.00 0.00 178.00 179.01 2ysm n GLY 17 N 0.19 1.01 3.46 1.56 0.00 -1.26 -3.63 105.19 106.52 2ysm n GLY 17 Ca -0.09 0.31 -0.38 0.00 0.00 0.00 0.00 46.02 45.87 2ysm n GLY 17 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ysm s ASP 18 N -2.14 5.45 -0.05 1.61 1.11 -1.26 -4.98 116.67 116.41 2ysm s ASP 18 Ca 0.00 -0.35 -0.25 0.00 0.18 0.00 0.00 52.55 52.13 2ysm s ASP 18 Cb 0.00 -1.99 -0.24 0.00 1.07 0.00 0.00 42.92 41.77 2ysm s ASP 18 CO 0.00 -0.12 1.02 -0.07 1.18 0.00 0.00 175.17 177.18 2ysm h LEU 19 N 8.31 0.20 -0.84 1.23 3.38 -1.91 -3.21 115.31 122.47 2ysm h LEU 19 Ca -0.35 -0.78 -0.05 0.00 0.09 0.00 0.00 57.88 56.79 2ysm h LEU 19 Cb 1.16 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.82 2ysm h LEU 19 CO 0.59 0.95 0.24 -0.07 0.09 0.00 0.00 178.44 180.24 2ysm h LEU 20 N -0.53 1.02 -0.52 1.67 3.38 -1.93 -2.90 115.31 115.50 2ysm h LEU 20 Ca -0.03 -0.18 0.09 0.00 0.09 0.00 0.00 57.88 57.86 2ysm h LEU 20 Cb 0.98 -0.27 -0.08 0.00 0.09 0.00 0.00 40.66 41.39 2ysm h LEU 20 CO 0.04 0.94 0.08 -0.78 0.09 0.00 0.00 178.44 178.81 2ysm h ASP 21 N 1.06 -0.06 -3.56 -0.43 1.82 -1.98 -3.40 116.42 109.87 2ysm h ASP 21 Ca 0.23 0.10 -0.52 0.00 -0.39 0.00 0.00 57.03 56.46 2ysm h ASP 21 Cb 0.28 0.15 -0.02 0.00 0.68 0.00 0.00 39.33 40.42 2ysm h ASP 21 CO -0.01 -0.00 0.31 0.00 -1.61 0.00 0.00 179.24 177.93 2ysm s GLN 22 N -6.14 4.68 1.26 0.28 -2.07 -1.10 -4.28 119.66 112.29 2ysm s GLN 22 Ca -0.13 1.37 -0.16 0.00 -1.82 0.00 0.00 55.36 54.62 2ysm s GLN 22 Cb 0.16 -3.36 0.32 0.00 -1.09 0.00 0.00 33.01 29.05 2ysm s GLN 22 CO 0.73 0.28 0.99 -0.06 -1.32 0.00 0.00 175.29 175.91 2ysm s PHE 23 N -0.22 0.74 -0.11 9.60 0.40 -0.16 -4.60 117.98 123.63 2ysm s PHE 23 Ca 0.44 1.00 -0.02 0.00 -0.60 0.00 0.00 56.93 57.75 2ysm s PHE 23 Cb -0.23 -3.02 0.04 0.00 0.51 0.00 0.00 43.02 40.32 2ysm s PHE 23 CO 0.29 -4.31 0.02 0.12 0.70 0.00 0.00 175.22 172.04 2ysm s PHE 24 N -2.37 0.72 0.64 0.36 5.36 -1.26 -2.81 117.98 118.61 2ysm s PHE 24 Ca 0.69 -0.36 -0.15 0.00 -0.96 0.00 0.00 56.93 56.15 2ysm s PHE 24 Cb -0.22 -0.85 -0.01 0.00 -0.34 0.00 0.00 43.02 41.60 2ysm s PHE 24 CO 0.63 -0.42 1.09 0.00 -1.46 0.00 0.00 175.22 175.07 2ysm n THR 26 N -2.30 1.14 0.18 0.00 -2.24 -1.25 -3.46 114.28 106.34 2ysm n THR 26 Ca 0.10 -0.61 -0.07 0.00 -2.27 0.00 0.00 64.05 61.19 2ysm n THR 26 Cb 0.52 -0.79 -0.04 0.00 -2.10 0.00 0.00 70.33 67.92 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 0.10 4.28 2.02 -1.94 -3.39 112.91 113.98 2ysm h THR 27 Ca -0.45 -0.26 -0.29 0.00 0.77 0.00 0.00 66.41 66.18 2ysm h THR 27 Cb 1.91 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 68.30 2ysm h THR 27 CO -0.01 0.00 -1.55 0.00 0.37 0.00 0.00 175.52 174.33 2ysm n GLY 29 N 1.76 1.41 3.94 0.00 0.00 -1.23 -5.06 105.19 106.01 2ysm n GLY 29 Ca -0.28 -0.12 -0.24 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.12 3.37 0.20 1.61 -1.52 -1.26 -4.76 119.66 116.19 2ysm s GLN 30 Ca 0.00 -0.70 0.07 0.00 -1.95 0.00 0.00 55.36 52.77 2ysm s GLN 30 Cb 0.00 -2.89 -0.04 0.00 -0.22 0.00 0.00 33.01 29.86 2ysm s GLN 30 CO 0.00 0.48 0.11 -1.01 -0.25 0.00 0.00 175.29 174.62 2ysm s HIS 31 N -1.85 3.03 -0.27 0.91 3.76 -1.26 -1.32 115.29 118.29 2ysm s HIS 31 Ca 0.34 -0.09 -0.10 0.00 -0.15 0.00 0.00 55.06 55.06 2ysm s HIS 31 Cb -0.10 -1.42 0.11 0.00 1.11 0.00 0.00 32.58 32.28 2ysm s HIS 31 CO 0.28 0.53 0.59 0.71 -0.85 0.00 0.00 174.74 176.00 2ysm s TYR 32 N -1.91 -1.16 0.85 1.40 1.51 -1.12 -3.41 117.35 113.50 2ysm s TYR 32 Ca 0.31 2.08 -0.11 0.00 -1.01 0.00 0.00 57.07 58.33 2ysm s TYR 32 Cb -0.09 0.65 0.11 0.00 -0.11 0.00 0.00 41.96 42.51 2ysm s TYR 32 CO 0.22 -0.60 1.14 -1.01 -1.11 0.00 0.00 175.55 174.20 2ysm s HIS 33 N 2.64 1.93 -0.20 2.71 3.76 -1.26 -0.99 115.29 123.87 2ysm s HIS 33 Ca -0.05 1.71 0.28 0.00 -0.15 0.00 0.00 55.06 56.84 2ysm s HIS 33 Cb -0.11 -3.29 0.84 0.00 1.11 0.00 0.00 32.58 31.13 2ysm s HIS 33 CO -0.17 -2.52 1.79 0.78 -0.85 0.00 0.00 174.74 173.76 2ysm h GLY 34 N -1.43 0.00 0.35 -2.22 0.00 -1.84 -3.22 103.07 94.71 2ysm h GLY 34 Ca -0.44 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.52 2ysm h GLY 34 CO 0.45 0.00 -2.20 -0.13 0.00 0.00 0.00 176.54 174.66 2ysm n MET 35 N -3.04 0.71 0.09 4.80 0.00 -1.26 0.10 117.12 118.52 2ysm n MET 35 Ca 0.02 0.21 0.19 0.00 -0.00 0.00 0.00 57.70 58.12 2ysm n MET 35 Cb 0.42 -1.63 0.74 0.00 0.00 0.00 0.00 33.22 32.75 2ysm n MET 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2ysm n LEU 37 N -4.09 2.41 -3.28 0.00 4.32 -1.22 -4.98 117.00 110.16 2ysm n LEU 37 Ca 0.06 -1.48 -0.24 0.00 -0.02 0.00 0.00 56.01 54.33 2ysm n LEU 37 Cb 0.50 -0.11 0.04 0.00 -1.62 0.00 0.00 43.42 42.23 2ysm n LEU 37 CO 0.32 0.54 0.08 -0.67 -1.22 0.00 0.00 177.39 176.44 2ysm n ASP 38 N 0.57 -5.94 -4.86 -1.43 2.03 0.49 -4.98 116.55 102.43 2ysm n ASP 38 Ca 0.09 -0.40 -0.33 0.00 0.52 0.00 0.00 54.79 54.67 2ysm n ASP 38 Cb 0.35 -4.76 -0.05 0.00 -0.72 0.00 0.00 41.12 35.94 2ysm n ASP 38 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2ysm s ILE 39 N -3.21 5.16 -0.66 5.18 1.01 0.28 -4.98 121.20 123.98 2ysm s ILE 39 Ca 0.42 -0.31 -0.20 0.00 0.00 0.00 0.00 60.65 60.56 2ysm s ILE 39 Cb -0.19 -3.42 0.10 0.00 0.01 0.00 0.00 42.46 38.96 2ysm s ILE 39 CO 0.52 0.29 0.85 0.00 0.00 0.00 0.00 174.94 176.60 2ysm s ALA 40 N -1.32 3.32 -0.34 9.38 0.00 -1.26 -4.39 121.76 127.14 2ysm s ALA 40 Ca 0.27 -2.18 -0.42 0.00 0.00 0.00 0.00 51.96 49.64 2ysm s ALA 40 Cb -0.12 -3.70 -0.16 0.00 0.00 0.00 0.00 23.12 19.13 2ysm s ALA 40 CO 0.19 -2.57 1.75 0.28 0.00 0.00 0.00 175.76 175.41 2ysm n VAL 41 N 5.63 0.23 -4.17 0.00 0.31 -1.26 -4.94 118.33 114.12 2ysm n VAL 41 Ca -0.03 -0.05 -0.15 0.00 -0.01 0.00 0.00 64.34 64.10 2ysm n VAL 41 Cb 0.44 -1.06 -0.11 0.00 -0.91 0.00 0.00 33.84 32.20 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 3.73 0.96 -2.00 2.52 -4.23 -1.26 -5.02 115.64 110.34 2ysm s THR 42 Ca 1.01 -1.58 0.09 0.00 -1.18 0.00 0.00 61.69 60.03 2ysm s THR 42 Cb -1.17 -1.30 0.25 0.00 1.34 0.00 0.00 72.50 71.63 2ysm s THR 42 CO 0.69 -0.51 0.98 -0.81 -0.54 0.00 0.00 174.62 174.43 2ysm n PRO 43 N 0.68 0.49 -0.11 3.99 -0.04 -1.26 -2.95 135.00 135.80 2ysm n PRO 43 Ca -0.17 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.08 2ysm n PRO 43 Cb 0.57 -1.29 -0.08 0.00 -0.04 0.00 0.00 33.50 32.67 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 -0.79 1.80 0.25 1.53 7.94 -1.26 -4.60 117.00 121.87 2ysm n LEU 44 Ca 0.07 0.19 -0.16 0.00 -1.11 0.00 0.00 56.01 55.00 2ysm n LEU 44 Cb 0.03 -0.65 -0.08 0.00 0.53 0.00 0.00 43.42 43.25 2ysm n LEU 44 CO 0.05 0.52 0.68 0.11 -1.11 0.00 0.00 177.39 177.64 2ysm h LYS 45 N -0.63 -0.57 -0.71 1.96 1.57 -1.72 -2.84 116.57 113.63 2ysm h LYS 45 Ca -0.53 0.04 0.28 0.00 -1.87 0.00 0.00 60.65 58.57 2ysm h LYS 45 Cb 1.52 0.13 -0.13 0.00 0.08 0.00 0.00 32.23 33.83 2ysm h LYS 45 CO -0.28 -0.34 0.34 0.54 -0.57 0.00 0.00 179.45 179.13 2ysm n ARG 46 N -5.32 -0.04 -2.59 3.15 1.74 -1.15 -3.30 116.66 109.15 2ysm n ARG 46 Ca -0.11 0.99 -0.43 0.00 -0.77 0.00 0.00 57.85 57.53 2ysm n ARG 46 Cb 0.27 -1.74 -0.02 0.00 -1.02 0.00 0.00 32.46 29.94 2ysm n ARG 46 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2ysm s ALA 47 N -5.14 3.53 -1.23 7.54 0.00 -1.07 -3.87 121.76 121.52 2ysm s ALA 47 Ca -0.07 0.39 -0.08 0.00 0.00 0.00 0.00 51.96 52.21 2ysm s ALA 47 Cb 0.24 -3.51 -0.01 0.00 0.00 0.00 0.00 23.12 19.84 2ysm s ALA 47 CO 0.55 -0.84 0.72 0.41 0.00 0.00 0.00 175.76 176.60 2ysm n GLY 48 N 3.29 -0.62 3.80 0.00 0.00 -1.26 -4.95 105.19 105.45 2ysm n GLY 48 Ca 0.11 0.30 -0.38 0.00 0.00 0.00 0.00 46.02 46.05 2ysm n GLY 48 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2ysm s TRP 49 N -3.61 3.77 -0.21 1.61 -0.00 -1.21 -5.04 118.94 114.25 2ysm s TRP 49 Ca 0.22 1.52 -0.00 0.00 -0.00 0.00 0.00 56.10 57.84 2ysm s TRP 49 Cb -0.07 -2.70 0.05 0.00 -0.00 0.00 0.00 33.47 30.76 2ysm s TRP 49 CO 0.83 0.41 -0.04 -0.65 -0.00 0.00 0.00 176.95 177.51 2ysm s GLN 50 N -1.60 1.40 0.84 5.86 -0.21 -1.26 -3.91 119.66 120.77 2ysm s GLN 50 Ca 0.40 -0.75 -0.16 0.00 0.02 0.00 0.00 55.36 54.87 2ysm s GLN 50 Cb -0.20 -2.34 -0.07 0.00 1.00 0.00 0.00 33.01 31.41 2ysm s GLN 50 CO 0.23 -0.56 0.02 0.00 -2.12 0.00 0.00 175.29 172.87 2ysm n PRO 52 N 0.25 0.34 0.02 0.00 -0.04 -1.26 -0.30 135.00 134.00 2ysm n PRO 52 Ca 0.05 0.08 0.08 0.00 -0.04 0.00 0.00 63.50 63.68 2ysm n PRO 52 Cb 0.52 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.37 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 -1.16 0.64 -0.05 0.54 -0.58 -1.26 -4.47 120.64 114.31 2ysm n GLU 53 Ca 0.09 -0.06 -0.05 0.00 -0.42 0.00 0.00 57.16 56.72 2ysm n GLU 53 Cb 0.09 -1.63 -0.07 0.00 -0.57 0.00 0.00 31.44 29.26 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 -2.45 2.65 -4.25 0.00 4.81 0.59 -5.00 118.16 114.51 2ysm n LYS 55 Ca -0.16 0.93 -0.15 0.00 -0.87 0.00 0.00 58.31 58.06 2ysm n LYS 55 Cb 0.79 -2.66 -0.10 0.00 0.02 0.00 0.00 35.03 33.08 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 -0.94 0.11 -0.02 3.15 -7.23 -1.26 -4.91 120.40 109.29 2ysm s VAL 56 Ca 0.55 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.42 2ysm s VAL 56 Cb -0.48 -2.52 -0.08 0.00 0.56 0.00 0.00 36.38 33.86 2ysm s VAL 56 CO 0.61 0.00 1.93 0.00 -0.31 0.00 0.00 175.10 177.33 2ysm n GLN 58 N 7.61 0.94 -0.08 0.00 1.13 -1.04 0.15 117.38 126.09 2ysm n GLN 58 Ca 0.20 0.00 -0.11 0.00 -1.94 0.00 0.00 57.00 55.15 2ysm n GLN 58 Cb 0.42 -1.13 -0.08 0.00 0.11 0.00 0.00 30.24 29.56 2ysm n GLN 58 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 2ysm n ASN 59 N -0.63 2.65 0.00 1.08 3.02 -1.26 -4.78 115.26 115.33 2ysm n ASN 59 Ca 0.06 -0.08 0.00 0.00 -0.03 0.00 0.00 54.58 54.53 2ysm n ASN 59 Cb 0.03 -0.17 0.00 0.00 -0.61 0.00 0.00 39.78 39.03 2ysm n ASN 59 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ysm n LYS 61 N -1.42 -4.58 -3.74 0.00 4.01 0.39 -5.00 118.16 107.82 2ysm n LYS 61 Ca 0.00 0.74 -0.28 0.00 -0.51 0.00 0.00 58.31 58.26 2ysm n LYS 61 Cb 0.07 -5.38 -0.16 0.00 -0.51 0.00 0.00 35.03 29.05 2ysm n LYS 61 CO 0.00 0.00 0.00 -0.65 -1.11 0.00 0.00 177.40 175.64 2ysm s GLN 62 N -4.88 0.70 0.24 1.97 -0.21 -1.26 -4.87 119.66 111.34 2ysm s GLN 62 Ca 0.12 -0.62 -0.29 0.00 0.02 0.00 0.00 55.36 54.59 2ysm s GLN 62 Cb -0.02 -2.05 -0.09 0.00 1.00 0.00 0.00 33.01 31.85 2ysm s GLN 62 CO 0.64 -0.75 0.91 -1.54 -2.12 0.00 0.00 175.29 172.43 2ysm s SER 63 N 1.79 7.56 0.00 5.90 1.04 -1.26 -4.48 113.70 124.25 2ysm s SER 63 Ca 0.02 1.88 0.00 0.00 0.48 0.00 0.00 55.95 58.33 2ysm s SER 63 Cb -0.17 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.36 2ysm s SER 63 CO -0.14 0.14 0.00 0.61 0.98 0.00 0.00 173.24 174.83 2ysm n GLY 64 N 1.39 0.24 3.60 7.32 0.00 -1.26 -5.11 105.19 111.38 2ysm n GLY 64 Ca -0.02 0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 0.00 3.85 -0.20 1.61 8.01 -1.26 -4.92 118.70 125.79 2ysm s GLU 65 Ca 0.00 0.53 -0.16 0.00 0.01 0.00 0.00 54.97 55.35 2ysm s GLU 65 Cb 0.00 -3.79 -0.10 0.00 -4.31 0.00 0.00 34.13 25.93 2ysm s GLU 65 CO 0.00 -0.86 -0.18 -3.47 0.01 0.00 0.00 175.26 170.76 2ysm n ASP 66 N 6.56 1.89 0.04 -0.19 2.03 -1.26 -3.54 116.55 122.09 2ysm n ASP 66 Ca 0.05 0.43 -0.15 0.00 0.52 0.00 0.00 54.79 55.64 2ysm n ASP 66 Cb 0.48 -0.85 -0.09 0.00 -0.72 0.00 0.00 41.12 39.94 2ysm n ASP 66 CO 0.00 0.00 0.00 -1.28 -1.92 0.00 0.00 177.20 174.00 2ysm h SER 67 N -1.00 -1.63 -0.72 1.67 0.87 -2.04 -1.89 113.55 108.81 2ysm h SER 67 Ca -0.27 0.19 0.03 0.00 -1.23 0.00 0.00 61.79 60.51 2ysm h SER 67 Cb 1.12 0.63 -0.05 0.00 -0.44 0.00 0.00 62.40 63.66 2ysm h SER 67 CO -0.16 -0.51 0.45 0.11 -0.53 0.00 0.00 176.83 176.18 2ysm h LYS 68 N -0.64 0.84 -5.87 2.24 1.57 -1.99 -3.41 116.57 109.31 2ysm h LYS 68 Ca 0.02 -0.05 -0.61 0.00 -1.87 0.00 0.00 60.65 58.14 2ysm h LYS 68 Cb 0.71 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 2ysm h LYS 68 CO -0.38 0.55 1.49 -0.12 -0.57 0.00 0.00 179.45 180.43 2ysm n MET 69 N -4.67 1.20 -2.70 3.15 1.56 -0.71 -3.54 117.12 111.43 2ysm n MET 69 Ca 0.08 0.28 -0.43 0.00 -0.27 0.00 0.00 57.70 57.37 2ysm n MET 69 Cb 0.10 -2.72 -0.03 0.00 2.15 0.00 0.00 33.22 32.72 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 8.37 3.83 -0.43 -0.89 1.43 0.93 -4.83 118.68 127.08 2ysm s LEU 70 Ca 1.08 0.49 -0.22 0.00 -1.03 0.00 0.00 54.13 54.45 2ysm s LEU 70 Cb -0.67 -3.41 0.02 0.00 0.03 0.00 0.00 46.19 42.16 2ysm s LEU 70 CO 0.43 -1.08 0.70 -0.69 0.23 0.00 0.00 176.35 175.94 2ysm s VAL 71 N 4.00 4.76 0.17 -1.59 1.01 -1.26 -2.08 120.40 125.41 2ysm s VAL 71 Ca 0.43 0.30 -0.33 0.00 0.00 0.00 0.00 61.98 62.37 2ysm s VAL 71 Cb -0.09 -4.24 -0.14 0.00 0.00 0.00 0.00 36.38 31.91 2ysm s VAL 71 CO 0.26 -0.62 1.56 0.00 0.00 0.00 0.00 175.10 176.30 2ysm n ASP 73 N 3.23 1.13 0.06 0.00 8.00 -1.24 -2.06 116.55 125.67 2ysm n ASP 73 Ca 0.16 -2.05 0.00 0.00 0.71 0.00 0.00 54.79 53.61 2ysm n ASP 73 Cb 0.29 -0.43 0.00 0.00 -0.02 0.00 0.00 41.12 40.97 2ysm n ASP 73 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2ysm n THR 74 N -0.03 0.99 -0.12 -3.53 -1.04 -1.26 -4.93 114.28 104.36 2ysm n THR 74 Ca 0.02 0.33 -0.20 0.00 -2.04 0.00 0.00 64.05 62.15 2ysm n THR 74 Cb 0.27 -1.45 -0.12 0.00 -1.82 0.00 0.00 70.33 67.21 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 -3.46 -2.19 -0.03 0.00 -0.08 -0.87 -4.74 116.55 105.18 2ysm n ASP 76 Ca -0.46 -0.18 -0.22 0.00 -1.51 0.00 0.00 54.79 52.42 2ysm n ASP 76 Cb 0.97 -1.86 -0.13 0.00 2.34 0.00 0.00 41.12 42.45 2ysm n ASP 76 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 2ysm h LYS 77 N -0.52 0.18 0.00 -0.67 1.57 -1.92 -3.45 116.57 111.75 2ysm h LYS 77 Ca -0.17 -0.30 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 2ysm h LYS 77 Cb 1.10 0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.52 2ysm h LYS 77 CO 0.14 1.15 0.00 0.41 -0.57 0.00 0.00 179.45 180.58 2ysm n GLY 78 N 1.76 1.95 3.04 3.86 0.00 -1.26 -4.32 105.19 110.22 2ysm n GLY 78 Ca -0.31 -1.14 -0.13 0.00 0.00 0.00 0.00 46.02 44.45 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 -0.43 0.24 1.61 2.02 -0.88 -2.48 117.35 117.43 2ysm s TYR 79 Ca 0.00 0.98 -0.30 0.00 -0.37 0.00 0.00 57.07 57.38 2ysm s TYR 79 Cb 0.00 0.02 -0.09 0.00 -0.40 0.00 0.00 41.96 41.49 2ysm s TYR 79 CO 0.00 -0.33 1.19 -1.01 -1.57 0.00 0.00 175.55 173.83 2ysm s HIS 80 N 2.13 3.40 0.26 2.71 3.76 -1.26 -0.05 115.29 126.23 2ysm s HIS 80 Ca -0.02 1.50 -0.05 0.00 -0.15 0.00 0.00 55.06 56.34 2ysm s HIS 80 Cb -0.11 -3.44 0.50 0.00 1.11 0.00 0.00 32.58 30.63 2ysm s HIS 80 CO -0.09 -1.16 1.62 1.79 -0.85 0.00 0.00 174.74 176.05 2ysm h THR 81 N 3.40 0.27 0.00 1.30 1.35 -1.91 1.11 112.91 118.42 2ysm h THR 81 Ca -0.46 -0.03 -0.04 0.00 -0.55 0.00 0.00 66.41 65.33 2ysm h THR 81 Cb 1.22 0.17 -0.01 0.00 -1.73 0.00 0.00 68.15 67.80 2ysm h THR 81 CO 0.71 0.02 -0.17 2.19 -0.25 0.00 0.00 175.52 178.01 2ysm h PHE 82 N 0.08 0.00 -0.24 4.73 -5.15 -1.91 -2.33 116.94 112.12 2ysm h PHE 82 Ca 0.45 0.00 -0.02 0.00 -0.20 0.00 0.00 57.97 58.20 2ysm h PHE 82 Cb 0.82 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.98 2ysm h PHE 82 CO -0.45 0.17 0.03 0.00 -2.00 0.00 0.00 178.31 176.06 2ysm s LEU 84 N -1.07 2.89 -0.30 0.00 1.43 -0.98 -4.71 118.68 115.93 2ysm s LEU 84 Ca 0.21 -0.17 0.03 0.00 -1.03 0.00 0.00 54.13 53.18 2ysm s LEU 84 Cb 0.16 -1.62 0.08 0.00 0.03 0.00 0.00 46.19 44.84 2ysm s LEU 84 CO 0.06 0.31 -0.03 -1.58 0.23 0.00 0.00 176.35 175.33 2ysm s GLN 85 N -0.48 1.91 1.14 1.70 0.74 -1.26 0.60 119.66 124.00 2ysm s GLN 85 Ca 0.06 -1.59 -0.17 0.00 0.05 0.00 0.00 55.36 53.72 2ysm s GLN 85 Cb -0.12 -3.05 0.26 0.00 1.10 0.00 0.00 33.01 31.20 2ysm s GLN 85 CO 0.02 -0.74 1.11 -1.25 -0.55 0.00 0.00 175.29 173.87 2ysm s PRO 86 N 1.02 -0.69 0.34 1.67 0.04 -1.26 -5.13 135.00 130.98 2ysm s PRO 86 Ca 0.00 0.12 -0.16 0.00 0.04 0.00 0.00 61.00 61.00 2ysm s PRO 86 Cb -0.20 -1.64 -0.09 0.00 0.04 0.00 0.00 34.50 32.61 2ysm s PRO 86 CO -0.06 -3.40 0.78 0.08 0.04 0.00 0.00 177.00 174.44 2ysm s VAL 87 N -3.00 4.62 0.09 -0.36 1.01 0.20 -5.01 120.40 117.95 2ysm s VAL 87 Ca 0.69 1.06 -0.22 0.00 0.00 0.00 0.00 61.98 63.51 2ysm s VAL 87 Cb -0.13 -3.62 -0.07 0.00 0.00 0.00 0.00 36.38 32.57 2ysm s VAL 87 CO 0.57 -0.20 0.68 -0.04 0.00 0.00 0.00 175.10 176.11 2ysm s MET 88 N -2.98 4.39 -0.10 2.72 -1.94 -0.91 -4.98 119.30 115.49 2ysm s MET 88 Ca 0.55 0.93 -0.08 0.00 -1.71 0.00 0.00 55.69 55.38 2ysm s MET 88 Cb -0.10 -3.28 -0.27 0.00 2.01 0.00 0.00 34.83 33.18 2ysm s MET 88 CO 0.17 0.52 0.45 0.87 -0.01 0.00 0.00 175.02 177.01 2ysm h LYS 89 N 4.82 0.30 -4.94 2.03 1.79 -1.97 -3.43 116.57 115.18 2ysm h LYS 89 Ca -0.47 -0.52 -0.45 0.00 -2.18 0.00 0.00 60.65 57.03 2ysm h LYS 89 Cb 1.21 0.19 -0.14 0.00 -1.58 0.00 0.00 32.23 31.91 2ysm h LYS 89 CO 0.66 1.25 -0.55 -1.54 -1.08 0.00 0.00 179.45 178.19 2ysm s SER 90 N -7.12 1.84 -0.30 0.86 1.04 -1.26 -5.14 113.70 103.63 2ysm s SER 90 Ca -0.21 -1.57 -0.11 0.00 0.48 0.00 0.00 55.95 54.54 2ysm s SER 90 Cb 0.06 0.38 -0.03 0.00 0.10 0.00 0.00 66.02 66.53 2ysm s SER 90 CO 0.79 -0.88 0.19 -0.69 0.98 0.00 0.00 173.24 173.64 2ysm s VAL 91 N -3.50 5.16 0.15 5.02 1.01 -1.26 -5.07 120.40 121.91 2ysm s VAL 91 Ca 0.34 -0.04 -0.31 0.00 0.00 0.00 0.00 61.98 61.97 2ysm s VAL 91 Cb 0.05 -3.53 -0.08 0.00 0.00 0.00 0.00 36.38 32.81 2ysm s VAL 91 CO 0.17 0.16 1.34 -2.16 0.00 0.00 0.00 175.10 174.60 2ysm s PRO 92 N 1.72 4.36 -0.53 2.72 0.04 -1.26 -4.95 135.00 137.11 2ysm s PRO 92 Ca 0.06 2.04 0.02 0.00 0.04 0.00 0.00 61.00 63.17 2ysm s PRO 92 Cb -0.16 -3.23 0.43 0.00 0.04 0.00 0.00 34.50 31.58 2ysm s PRO 92 CO 0.10 -0.34 1.59 0.25 0.04 0.00 0.00 177.00 178.65 2ysm n THR 93 N 3.34 3.04 0.03 1.26 -2.24 -1.26 -4.59 114.28 113.86 2ysm n THR 93 Ca 0.09 -3.92 0.00 0.00 -2.27 0.00 0.00 64.05 57.95 2ysm n THR 93 Cb 0.43 -1.18 0.00 0.00 -2.10 0.00 0.00 70.33 67.47 2ysm n THR 93 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2ysm n ASN 94 N -0.71 0.10 0.00 3.42 0.23 -1.26 -5.09 115.26 111.94 2ysm n ASN 94 Ca 0.51 0.10 0.00 0.00 -0.53 0.00 0.00 54.58 54.66 2ysm n ASN 94 Cb 0.70 0.03 0.00 0.00 -2.08 0.00 0.00 39.78 38.43 2ysm n ASN 94 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2ysm n GLY 95 N 2.17 -1.35 3.79 4.83 0.00 -1.26 -5.16 105.19 108.21 2ysm n GLY 95 Ca 0.00 0.83 -0.36 0.00 0.00 0.00 0.00 46.02 46.49 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 0.00 3.18 -0.03 1.61 -0.00 -1.26 -5.04 118.94 117.39 2ysm s TRP 96 Ca 0.00 1.62 -0.01 0.00 -0.00 0.00 0.00 56.10 57.71 2ysm s TRP 96 Cb 0.00 -3.13 0.03 0.00 -0.00 0.00 0.00 33.47 30.38 2ysm s TRP 96 CO 0.00 -0.73 0.05 0.21 -0.00 0.00 0.00 176.95 176.48 2ysm s LYS 97 N -2.69 -0.04 0.29 5.86 2.20 -1.26 -3.62 119.74 120.48 2ysm s LYS 97 Ca 0.60 0.27 -0.28 0.00 -0.36 0.00 0.00 55.97 56.20 2ysm s LYS 97 Cb -0.21 -0.33 -0.09 0.00 -1.51 0.00 0.00 37.83 35.69 2ysm s LYS 97 CO 0.26 -0.22 1.02 0.00 -0.36 0.00 0.00 175.35 176.05 2ysm h LYS 99 N 3.63 -0.10 -0.96 0.00 3.64 -2.01 0.55 116.57 121.33 2ysm h LYS 99 Ca -0.46 0.01 0.34 0.00 -1.27 0.00 0.00 60.65 59.27 2ysm h LYS 99 Cb 1.21 0.02 -0.11 0.00 -0.41 0.00 0.00 32.23 32.94 2ysm h LYS 99 CO 0.66 -0.06 0.60 0.09 -2.27 0.00 0.00 179.45 178.47 2ysm n ASN 100 N -4.89 0.18 -0.05 4.20 4.13 -1.26 0.11 115.26 117.67 2ysm n ASN 100 Ca 0.00 1.06 -0.20 0.00 1.68 0.00 0.00 54.58 57.13 2ysm n ASN 100 Cb 0.24 -0.52 -0.13 0.00 -1.54 0.00 0.00 39.78 37.83 2ysm n ASN 100 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2ysm h ARG 102 N -0.74 0.25 -3.47 0.00 3.08 0.30 -3.43 114.38 110.38 2ysm h ARG 102 Ca -0.24 -0.02 -0.47 0.00 0.07 0.00 0.00 59.98 59.32 2ysm h ARG 102 Cb 1.40 -0.06 0.02 0.00 0.08 0.00 0.00 29.97 31.41 2ysm h ARG 102 CO -0.06 0.17 0.14 -0.89 -1.07 0.00 0.00 179.97 178.26 2ysm n ILE 103 N -4.63 0.00 -3.09 2.04 2.08 -0.24 -4.86 119.36 110.66 2ysm n ILE 103 Ca 0.30 0.00 -0.39 0.00 0.56 0.00 0.00 62.75 63.22 2ysm n ILE 103 Cb 1.09 -0.08 -0.06 0.00 -0.75 0.00 0.00 39.64 39.84 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 -1.18 4.74 -0.13 0.00 2.07 -1.26 -5.02 121.20 120.42 2ysm s ILE 105 Ca 0.34 0.73 -0.03 0.00 -1.41 0.00 0.00 60.65 60.28 2ysm s ILE 105 Cb -0.21 -3.81 -0.07 0.00 0.13 0.00 0.00 42.46 38.50 2ysm s ILE 105 CO 0.23 -0.87 -0.14 -0.24 -1.91 0.00 0.00 174.94 172.01 2ysm n SER 106 N -2.13 1.84 -4.84 4.50 2.88 -1.26 -5.02 113.62 109.60 2ysm n SER 106 Ca 0.04 0.06 -0.35 0.00 -1.33 0.00 0.00 58.87 57.30 2ysm n SER 106 Cb 0.54 -0.30 -0.06 0.00 -0.75 0.00 0.00 64.21 63.64 2ysm n SER 106 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2ysm s GLY 107 N -5.21 2.46 -0.55 0.46 0.00 -1.26 -5.00 107.32 98.22 2ysm s GLY 107 Ca -0.17 -0.01 -0.27 0.00 0.00 0.00 0.00 44.72 44.26 2ysm s GLY 107 CO 0.25 0.26 1.82 2.56 0.00 0.00 0.00 173.10 178.00 2ysm s PRO 108 N -2.28 2.81 -0.17 2.90 0.04 -1.26 -4.84 135.00 132.20 2ysm s PRO 108 Ca 0.44 0.78 -0.25 0.00 0.04 0.00 0.00 61.00 62.01 2ysm s PRO 108 Cb -0.14 -4.33 -0.23 0.00 0.04 0.00 0.00 34.50 29.84 2ysm s PRO 108 CO 0.20 -2.50 0.48 0.66 0.04 0.00 0.00 177.00 175.88 2ysm h SER 109 N 14.33 0.02 0.09 6.66 4.64 -2.01 -3.40 113.55 133.88 2ysm h SER 109 Ca -0.27 -0.75 -0.37 0.00 -0.47 0.00 0.00 61.79 59.93 2ysm h SER 109 Cb 1.16 -0.01 -0.05 0.00 -0.31 0.00 0.00 62.40 63.20 2ysm h SER 109 CO 1.18 1.27 -2.22 -1.54 -0.87 0.00 0.00 176.83 174.65 2ysm n SER 110 N -4.49 1.77 0.00 4.97 3.41 -1.26 -5.30 113.62 112.72 2ysm n SER 110 Ca -0.22 0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.45 2ysm n SER 110 Cb 0.60 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 64.12 2ysm n SER 110 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49