#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 -0.31 -4.74 1.61 7.64 -1.26 -4.87 113.62 111.69 2ysm n SER 2 Ca 0.00 1.01 -0.40 0.00 1.01 0.00 0.00 58.87 60.48 2ysm n SER 2 Cb 0.00 -0.81 -0.05 0.00 -1.01 0.00 0.00 64.21 62.34 2ysm n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2ysm s SER 3 N -0.24 7.41 0.00 6.43 0.01 -1.26 -4.99 113.70 121.06 2ysm s SER 3 Ca 0.73 1.68 0.00 0.00 1.31 0.00 0.00 55.95 59.67 2ysm s SER 3 Cb -1.03 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 62.66 2ysm s SER 3 CO 0.50 0.02 0.00 0.61 0.41 0.00 0.00 173.24 174.78 2ysm n GLY 4 N 2.11 -0.01 3.18 3.44 0.00 -1.26 -5.07 105.19 107.58 2ysm n GLY 4 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 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 0.18 2.73 -0.15 1.61 1.04 -1.26 -5.12 113.70 112.74 2ysm s SER 5 Ca 0.00 -0.48 -0.30 0.00 0.48 0.00 0.00 55.95 55.65 2ysm s SER 5 Cb 0.00 -1.12 0.13 0.00 0.10 0.00 0.00 66.02 65.13 2ysm s SER 5 CO 0.00 0.15 1.02 -0.94 0.98 0.00 0.00 173.24 174.45 2ysm s SER 6 N 0.29 -0.33 0.00 7.02 1.04 -1.26 -5.19 113.70 115.26 2ysm s SER 6 Ca -0.14 0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.58 2ysm s SER 6 Cb -0.16 0.29 0.00 0.00 0.10 0.00 0.00 66.02 66.24 2ysm s SER 6 CO 0.06 -0.36 0.00 0.61 0.98 0.00 0.00 173.24 174.54 2ysm n GLY 7 N 0.51 4.30 2.13 7.32 0.00 -1.26 -5.04 105.19 113.15 2ysm n GLY 7 Ca -0.09 -1.83 -0.15 0.00 0.00 0.00 0.00 46.02 43.96 2ysm n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ysm n ALA 8 N -3.00 5.09 -2.20 4.61 0.00 -1.26 -4.85 120.51 118.91 2ysm n ALA 8 Ca 0.00 -2.61 -0.22 0.00 0.00 0.00 0.00 53.44 50.61 2ysm n ALA 8 Cb 0.00 -1.35 0.02 0.00 0.00 0.00 0.00 19.45 18.12 2ysm n ALA 8 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2ysm s ASN 9 N -1.14 4.93 0.33 0.00 -0.87 -1.26 -4.83 114.94 112.09 2ysm s ASN 9 Ca 0.56 -0.98 -0.29 0.00 -1.57 0.00 0.00 52.86 50.58 2ysm s ASN 9 Cb 0.46 0.23 -0.10 0.00 -0.02 0.00 0.00 41.25 41.82 2ysm s ASN 9 CO 0.12 -1.16 1.29 0.00 -2.57 0.00 0.00 177.10 174.78 2ysm n ALA 11 N 0.83 2.47 -0.03 0.00 0.00 -1.06 -1.56 120.51 121.16 2ysm n ALA 11 Ca -0.00 -0.69 -0.05 0.00 0.00 0.00 0.00 53.44 52.70 2ysm n ALA 11 Cb 0.42 -1.01 -0.03 0.00 0.00 0.00 0.00 19.45 18.84 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 0.70 0.33 -0.03 0.00 0.31 -1.26 -4.81 118.33 113.57 2ysm n VAL 12 Ca 0.16 -0.12 -0.00 0.00 -0.01 0.00 0.00 64.34 64.38 2ysm n VAL 12 Cb 0.40 -0.89 -0.08 0.00 -0.91 0.00 0.00 33.84 32.35 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 -2.14 -2.10 -3.94 0.00 8.00 -0.60 -4.99 116.55 110.78 2ysm n ASP 14 Ca -0.10 -0.36 -0.10 0.00 0.71 0.00 0.00 54.79 54.94 2ysm n ASP 14 Cb 0.57 -3.22 -0.12 0.00 -0.02 0.00 0.00 41.12 38.33 2ysm n ASP 14 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2ysm s SER 15 N -3.78 0.15 -0.02 -2.24 0.01 -1.26 -4.80 113.70 101.76 2ysm s SER 15 Ca 0.01 -0.29 -0.25 0.00 1.31 0.00 0.00 55.95 56.73 2ysm s SER 15 Cb -0.00 0.06 -0.20 0.00 0.21 0.00 0.00 66.02 66.08 2ysm s SER 15 CO 0.43 -0.17 1.23 1.55 0.41 0.00 0.00 173.24 176.69 2ysm h PRO 16 N 5.29 -0.05 0.00 12.44 0.13 -1.96 -3.18 132.00 144.66 2ysm h PRO 16 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2ysm h PRO 16 Cb 1.21 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2ysm h PRO 16 CO 0.45 0.41 0.00 0.41 -0.23 0.00 0.00 178.00 179.05 2ysm n GLY 17 N 0.21 1.67 3.58 1.56 0.00 -1.26 -4.15 105.19 106.80 2ysm n GLY 17 Ca -0.08 0.45 -0.34 0.00 0.00 0.00 0.00 46.02 46.05 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 -3.46 4.91 -0.12 1.61 1.11 -1.26 -5.02 116.67 114.44 2ysm s ASP 18 Ca 0.00 -0.02 -0.17 0.00 0.18 0.00 0.00 52.55 52.54 2ysm s ASP 18 Cb 0.00 -1.54 -0.26 0.00 1.07 0.00 0.00 42.92 42.19 2ysm s ASP 18 CO 0.00 0.28 0.52 -0.07 1.18 0.00 0.00 175.17 177.08 2ysm h LEU 19 N 5.89 0.32 0.18 1.23 -0.00 -1.91 -3.31 115.31 117.70 2ysm h LEU 19 Ca -0.41 -0.82 -0.01 0.00 -0.00 0.00 0.00 57.88 56.63 2ysm h LEU 19 Cb 1.19 -0.10 0.00 0.00 -0.00 0.00 0.00 40.66 41.74 2ysm h LEU 19 CO 0.58 1.58 -0.08 0.25 -0.00 0.00 0.00 178.44 180.76 2ysm h LEU 20 N -0.41 -0.20 -0.95 1.67 5.85 -1.95 -3.14 115.31 116.17 2ysm h LEU 20 Ca -0.30 -0.28 0.28 0.00 0.84 0.00 0.00 57.88 58.43 2ysm h LEU 20 Cb 1.67 0.05 -0.14 0.00 0.37 0.00 0.00 40.66 42.61 2ysm h LEU 20 CO 0.02 0.20 0.44 -0.78 -0.34 0.00 0.00 178.44 177.99 2ysm h ASP 21 N -0.64 0.32 -3.62 1.25 1.82 -1.98 -3.39 116.42 110.18 2ysm h ASP 21 Ca -0.02 0.19 -0.51 0.00 -0.39 0.00 0.00 57.03 56.30 2ysm h ASP 21 Cb 0.47 0.18 -0.03 0.00 0.68 0.00 0.00 39.33 40.63 2ysm h ASP 21 CO 0.04 -0.13 0.18 0.00 -1.61 0.00 0.00 179.24 177.72 2ysm s GLN 22 N -5.78 4.41 0.89 0.28 -2.07 -1.19 -4.21 119.66 112.00 2ysm s GLN 22 Ca -0.11 1.05 -0.12 0.00 -1.82 0.00 0.00 55.36 54.36 2ysm s GLN 22 Cb 0.28 -2.97 0.13 0.00 -1.09 0.00 0.00 33.01 29.36 2ysm s GLN 22 CO 0.78 0.42 1.14 -0.06 -1.32 0.00 0.00 175.29 176.26 2ysm s PHE 23 N -1.44 2.60 -0.05 9.60 0.40 0.25 -4.78 117.98 124.57 2ysm s PHE 23 Ca 0.42 0.84 -0.00 0.00 -0.60 0.00 0.00 56.93 57.59 2ysm s PHE 23 Cb -0.19 -3.40 0.03 0.00 0.51 0.00 0.00 43.02 39.97 2ysm s PHE 23 CO 0.23 -2.24 -0.00 0.12 0.70 0.00 0.00 175.22 174.02 2ysm s PHE 24 N -3.33 0.54 0.57 0.36 5.36 -1.26 -2.84 117.98 117.37 2ysm s PHE 24 Ca 0.63 -0.09 -0.15 0.00 -0.96 0.00 0.00 56.93 56.36 2ysm s PHE 24 Cb -0.14 -0.64 -0.05 0.00 -0.34 0.00 0.00 43.02 41.85 2ysm s PHE 24 CO 0.53 -0.23 1.03 0.00 -1.46 0.00 0.00 175.22 175.08 2ysm n THR 26 N -1.97 1.31 0.07 0.00 -2.24 -1.26 -3.37 114.28 106.82 2ysm n THR 26 Ca 0.08 -0.74 -0.03 0.00 -2.27 0.00 0.00 64.05 61.08 2ysm n THR 26 Cb 0.53 -0.68 -0.02 0.00 -2.10 0.00 0.00 70.33 68.07 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 0.18 4.28 2.02 -1.94 -3.39 112.91 114.06 2ysm h THR 27 Ca -0.52 -0.24 -0.30 0.00 0.77 0.00 0.00 66.41 66.13 2ysm h THR 27 Cb 2.09 0.00 0.02 0.00 -1.74 0.00 0.00 68.15 68.52 2ysm h THR 27 CO 0.00 0.00 -1.44 0.00 0.37 0.00 0.00 175.52 174.45 2ysm n GLY 29 N 1.77 0.85 4.03 0.00 0.00 -1.22 -5.05 105.19 105.57 2ysm n GLY 29 Ca -0.21 -0.35 -0.19 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.56 2.35 0.09 1.61 -1.52 -1.26 -4.80 119.66 113.56 2ysm s GLN 30 Ca 0.00 -1.62 0.08 0.00 -1.95 0.00 0.00 55.36 51.88 2ysm s GLN 30 Cb 0.00 -2.65 -0.03 0.00 -0.22 0.00 0.00 33.01 30.11 2ysm s GLN 30 CO 0.00 -0.81 -0.22 -1.01 -0.25 0.00 0.00 175.29 173.00 2ysm s HIS 31 N -2.64 1.91 -0.25 0.91 3.76 -1.25 -2.34 115.29 115.38 2ysm s HIS 31 Ca 0.61 -0.40 -0.10 0.00 -0.15 0.00 0.00 55.06 55.02 2ysm s HIS 31 Cb -0.06 -1.07 0.10 0.00 1.11 0.00 0.00 32.58 32.66 2ysm s HIS 31 CO 0.38 0.20 0.56 0.71 -0.85 0.00 0.00 174.74 175.73 2ysm s TYR 32 N -1.04 -1.05 0.99 1.40 1.51 -1.13 -2.57 117.35 115.47 2ysm s TYR 32 Ca 0.08 1.94 -0.12 0.00 -1.01 0.00 0.00 57.07 57.95 2ysm s TYR 32 Cb -0.10 0.56 0.19 0.00 -0.11 0.00 0.00 41.96 42.50 2ysm s TYR 32 CO 0.04 -0.55 1.09 -1.01 -1.11 0.00 0.00 175.55 174.00 2ysm s HIS 33 N 2.46 2.04 -0.00 2.71 3.76 -1.26 -0.58 115.29 124.42 2ysm s HIS 33 Ca -0.06 1.10 0.15 0.00 -0.15 0.00 0.00 55.06 56.10 2ysm s HIS 33 Cb -0.11 -3.22 0.25 0.00 1.11 0.00 0.00 32.58 30.61 2ysm s HIS 33 CO -0.16 -2.90 1.52 0.78 -0.85 0.00 0.00 174.74 173.13 2ysm h GLY 34 N -1.91 0.00 0.95 -2.22 0.00 -1.83 -3.16 103.07 94.90 2ysm h GLY 34 Ca -0.54 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 46.47 2ysm h GLY 34 CO 0.56 0.00 -1.74 0.00 0.00 0.00 0.00 176.54 175.35 2ysm h MET 35 N 0.00 0.17 -0.39 4.80 -0.00 -1.93 0.91 114.93 118.49 2ysm h MET 35 Ca -0.01 -0.29 -0.01 0.00 -0.00 0.00 0.00 59.70 59.40 2ysm h MET 35 Cb 1.26 0.11 -0.02 0.00 -0.00 0.00 0.00 31.60 32.95 2ysm h MET 35 CO 0.07 0.94 0.21 0.00 -0.00 0.00 0.00 176.91 178.13 2ysm n LEU 37 N -4.43 1.58 -3.32 0.00 4.77 -1.20 -5.00 117.00 109.41 2ysm n LEU 37 Ca 0.03 -0.89 -0.20 0.00 -0.03 0.00 0.00 56.01 54.91 2ysm n LEU 37 Cb 0.10 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.27 2ysm n LEU 37 CO 0.36 0.31 0.19 0.47 -1.33 0.00 0.00 177.39 177.39 2ysm n ASP 38 N 0.20 -4.89 -4.86 -1.43 8.00 -0.23 -5.00 116.55 108.36 2ysm n ASP 38 Ca 0.05 -0.52 -0.35 0.00 0.71 0.00 0.00 54.79 54.69 2ysm n ASP 38 Cb 0.24 -4.70 -0.06 0.00 -0.02 0.00 0.00 41.12 36.59 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 -3.30 5.25 -0.48 0.53 1.01 0.30 -4.98 121.20 119.53 2ysm s ILE 39 Ca 0.39 -0.06 -0.27 0.00 0.00 0.00 0.00 60.65 60.70 2ysm s ILE 39 Cb -0.17 -3.36 0.03 0.00 0.01 0.00 0.00 42.46 38.97 2ysm s ILE 39 CO 0.67 0.47 1.05 0.00 0.00 0.00 0.00 174.94 177.14 2ysm s ALA 40 N -1.15 3.18 -0.38 9.38 0.00 -1.26 -4.61 121.76 126.91 2ysm s ALA 40 Ca 0.20 -0.63 -0.28 0.00 0.00 0.00 0.00 51.96 51.26 2ysm s ALA 40 Cb -0.12 -3.80 -0.03 0.00 0.00 0.00 0.00 23.12 19.17 2ysm s ALA 40 CO 0.11 -2.20 1.95 0.08 0.00 0.00 0.00 175.76 175.69 2ysm s VAL 41 N 4.20 3.32 0.14 0.00 1.01 -1.26 -4.93 120.40 122.87 2ysm s VAL 41 Ca 0.43 0.30 0.09 0.00 0.00 0.00 0.00 61.98 62.80 2ysm s VAL 41 Cb -0.08 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 2ysm s VAL 41 CO 0.29 -0.39 -0.20 0.42 0.00 0.00 0.00 175.10 175.22 2ysm s THR 42 N 8.14 1.86 -1.66 3.92 -4.23 -1.26 -5.02 115.64 117.39 2ysm s THR 42 Ca 0.83 -1.76 0.15 0.00 -1.18 0.00 0.00 61.69 59.73 2ysm s THR 42 Cb -0.22 -1.76 0.33 0.00 1.34 0.00 0.00 72.50 72.19 2ysm s THR 42 CO 0.31 -0.16 1.38 -0.81 -0.54 0.00 0.00 174.62 174.79 2ysm n PRO 43 N 0.66 0.32 -0.09 3.99 -0.04 -1.26 -2.56 135.00 136.01 2ysm n PRO 43 Ca -0.16 0.09 -0.13 0.00 -0.04 0.00 0.00 63.50 63.26 2ysm n PRO 43 Cb 0.55 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.42 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 -1.17 2.84 0.01 1.53 7.94 -1.26 -4.63 117.00 122.25 2ysm n LEU 44 Ca 0.09 -0.10 -0.12 0.00 -1.11 0.00 0.00 56.01 54.77 2ysm n LEU 44 Cb 0.09 -0.61 -0.08 0.00 0.53 0.00 0.00 43.42 43.35 2ysm n LEU 44 CO 0.10 0.80 0.74 0.50 -1.11 0.00 0.00 177.39 178.42 2ysm h LYS 45 N 0.00 0.02 -0.68 1.96 3.64 -1.66 -3.11 116.57 116.74 2ysm h LYS 45 Ca -0.42 -0.01 0.19 0.00 -1.27 0.00 0.00 60.65 59.14 2ysm h LYS 45 Cb 1.67 -0.00 -0.13 0.00 -0.41 0.00 0.00 32.23 33.36 2ysm h LYS 45 CO -0.06 0.29 0.02 0.54 -2.27 0.00 0.00 179.45 177.96 2ysm n ARG 46 N -4.95 -0.05 -2.87 1.90 1.74 -1.06 -3.63 116.66 107.73 2ysm n ARG 46 Ca -0.08 1.02 -0.41 0.00 -0.77 0.00 0.00 57.85 57.62 2ysm n ARG 46 Cb 0.15 -1.63 -0.04 0.00 -1.02 0.00 0.00 32.46 29.92 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 -5.58 3.28 -0.84 7.54 0.00 -1.18 -3.82 121.76 121.16 2ysm s ALA 47 Ca -0.09 0.38 -0.05 0.00 0.00 0.00 0.00 51.96 52.20 2ysm s ALA 47 Cb 0.20 -3.13 0.01 0.00 0.00 0.00 0.00 23.12 20.19 2ysm s ALA 47 CO 0.53 -0.06 0.67 0.41 0.00 0.00 0.00 175.76 177.31 2ysm n GLY 48 N 2.62 0.03 3.93 0.00 0.00 -1.26 -4.98 105.19 105.53 2ysm n GLY 48 Ca 0.01 -0.13 -0.25 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.15 3.35 -0.25 1.61 -0.00 -1.24 -5.06 118.94 114.20 2ysm s TRP 49 Ca 0.33 0.49 -0.21 0.00 -0.00 0.00 0.00 56.10 56.71 2ysm s TRP 49 Cb -0.15 -2.36 0.07 0.00 -0.00 0.00 0.00 33.47 31.03 2ysm s TRP 49 CO 0.41 -0.39 0.66 -0.65 -0.00 0.00 0.00 176.95 176.98 2ysm s GLN 50 N -4.68 0.74 0.72 5.86 -0.21 -1.26 -4.36 119.66 116.48 2ysm s GLN 50 Ca 0.48 0.98 -0.13 0.00 0.02 0.00 0.00 55.36 56.71 2ysm s GLN 50 Cb -0.10 0.31 0.03 0.00 1.00 0.00 0.00 33.01 34.25 2ysm s GLN 50 CO 0.41 -0.11 1.11 0.00 -2.12 0.00 0.00 175.29 174.59 2ysm n PRO 52 N -2.93 0.41 -0.01 0.00 -0.04 -1.26 0.02 135.00 131.19 2ysm n PRO 52 Ca 0.10 0.04 0.07 0.00 -0.04 0.00 0.00 63.50 63.68 2ysm n PRO 52 Cb 0.52 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.34 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 -1.09 0.65 -0.04 0.54 -0.58 -1.26 -4.54 120.64 114.33 2ysm n GLU 53 Ca 0.10 -0.10 -0.05 0.00 -0.42 0.00 0.00 57.16 56.70 2ysm n GLU 53 Cb 0.07 -1.58 -0.05 0.00 -0.57 0.00 0.00 31.44 29.31 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 -2.46 1.35 -3.91 0.00 4.81 0.10 -4.99 118.16 113.06 2ysm n LYS 55 Ca -0.14 0.50 -0.08 0.00 -0.87 0.00 0.00 58.31 57.72 2ysm n LYS 55 Cb 0.72 -2.30 -0.03 0.00 0.02 0.00 0.00 35.03 33.44 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 -1.36 0.00 0.73 3.15 -7.23 -1.26 -4.92 120.40 109.51 2ysm s VAL 56 Ca 0.71 -1.15 -0.16 0.00 -1.81 0.00 0.00 61.98 59.57 2ysm s VAL 56 Cb -0.45 -2.07 0.01 0.00 0.56 0.00 0.00 36.38 34.42 2ysm s VAL 56 CO 0.51 -0.00 0.98 0.00 -0.31 0.00 0.00 175.10 176.27 2ysm n GLN 58 N -1.92 1.27 -0.01 0.00 1.13 -1.22 -3.01 117.38 113.63 2ysm n GLN 58 Ca 0.13 -0.08 -0.20 0.00 -1.94 0.00 0.00 57.00 54.92 2ysm n GLN 58 Cb 0.49 -1.22 -0.14 0.00 0.11 0.00 0.00 30.24 29.49 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 4.21 -1.89 -3.41 115.58 115.85 2ysm h ASN 59 Ca 0.00 -0.86 -0.16 0.00 1.21 0.00 0.00 56.30 56.49 2ysm h ASN 59 Cb 0.48 -0.09 -0.03 0.00 -1.12 0.00 0.00 38.32 37.56 2ysm h ASN 59 CO 0.00 1.41 -1.68 0.00 -1.29 0.00 0.00 177.43 175.87 2ysm n LYS 61 N -2.30 -3.76 -3.70 0.00 4.76 -1.16 -5.03 118.16 106.96 2ysm n LYS 61 Ca -0.15 0.59 -0.28 0.00 -2.87 0.00 0.00 58.31 55.61 2ysm n LYS 61 Cb 0.75 -4.73 -0.16 0.00 -1.84 0.00 0.00 35.03 29.05 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 -4.68 0.52 0.81 1.97 -0.21 -1.26 -4.89 119.66 111.92 2ysm s GLN 62 Ca 0.08 -0.42 -0.12 0.00 0.02 0.00 0.00 55.36 54.93 2ysm s GLN 62 Cb -0.01 -2.00 0.07 0.00 1.00 0.00 0.00 33.01 32.08 2ysm s GLN 62 CO 0.50 -0.70 1.11 -1.54 -2.12 0.00 0.00 175.29 172.55 2ysm s SER 63 N 1.91 4.46 0.00 5.90 1.04 -1.26 -4.53 113.70 121.22 2ysm s SER 63 Ca 0.01 1.14 0.00 0.00 0.48 0.00 0.00 55.95 57.58 2ysm s SER 63 Cb -0.17 -1.82 0.00 0.00 0.10 0.00 0.00 66.02 64.13 2ysm s SER 63 CO -0.11 -1.97 0.00 0.61 0.98 0.00 0.00 173.24 172.75 2ysm n GLY 64 N -2.43 1.66 3.57 7.32 0.00 -1.26 -5.02 105.19 109.04 2ysm n GLY 64 Ca 0.07 -0.50 -0.14 0.00 0.00 0.00 0.00 46.02 45.45 2ysm n GLY 64 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2ysm s GLU 65 N 0.00 1.32 -0.06 1.61 -1.05 -1.26 -4.70 118.70 114.55 2ysm s GLU 65 Ca 0.00 -0.12 -0.22 0.00 -0.15 0.00 0.00 54.97 54.48 2ysm s GLU 65 Cb 0.00 -4.91 -0.17 0.00 -0.44 0.00 0.00 34.13 28.60 2ysm s GLU 65 CO 0.00 -5.15 0.89 0.38 0.95 0.00 0.00 175.26 172.33 2ysm h ASP 66 N 11.98 -0.12 -0.37 0.83 2.03 -1.95 -2.67 116.42 126.15 2ysm h ASP 66 Ca 0.01 -0.45 0.03 0.00 -0.73 0.00 0.00 57.03 55.89 2ysm h ASP 66 Cb 1.00 0.03 -0.05 0.00 -0.83 0.00 0.00 39.33 39.48 2ysm h ASP 66 CO 1.01 0.48 -0.24 0.28 -1.03 0.00 0.00 179.24 179.74 2ysm h SER 67 N -0.83 -0.87 -0.81 4.15 0.02 -2.03 0.11 113.55 113.28 2ysm h SER 67 Ca -0.01 0.13 0.09 0.00 -0.84 0.00 0.00 61.79 61.16 2ysm h SER 67 Cb 0.57 0.38 -0.07 0.00 0.14 0.00 0.00 62.40 63.42 2ysm h SER 67 CO 0.02 -0.11 0.46 0.11 -1.14 0.00 0.00 176.83 176.18 2ysm h LYS 68 N -0.03 0.75 -6.55 3.45 1.57 -1.97 -3.42 116.57 110.38 2ysm h LYS 68 Ca 0.06 -0.05 -0.60 0.00 -1.87 0.00 0.00 60.65 58.20 2ysm h LYS 68 Cb 0.18 -0.17 0.09 0.00 0.08 0.00 0.00 32.23 32.41 2ysm h LYS 68 CO -0.36 0.50 0.47 -0.12 -0.57 0.00 0.00 179.45 179.36 2ysm n MET 69 N -4.75 1.79 -3.62 3.15 1.56 0.36 -3.87 117.12 111.75 2ysm n MET 69 Ca 0.13 0.63 -0.31 0.00 -0.27 0.00 0.00 57.70 57.89 2ysm n MET 69 Cb 0.27 -2.21 -0.05 0.00 2.15 0.00 0.00 33.22 33.39 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 0.09 4.23 -0.32 -0.89 1.43 -1.00 -4.92 118.68 117.30 2ysm s LEU 70 Ca 0.66 0.62 -0.00 0.00 -1.03 0.00 0.00 54.13 54.38 2ysm s LEU 70 Cb -0.68 -3.36 0.10 0.00 0.03 0.00 0.00 46.19 42.28 2ysm s LEU 70 CO 0.53 0.01 0.11 -0.69 0.23 0.00 0.00 176.35 176.54 2ysm s VAL 71 N -1.73 1.00 1.02 -1.59 1.01 -1.26 -3.08 120.40 115.77 2ysm s VAL 71 Ca 0.42 -1.57 -0.18 0.00 0.00 0.00 0.00 61.98 60.65 2ysm s VAL 71 Cb -0.12 -1.76 -0.02 0.00 0.00 0.00 0.00 36.38 34.49 2ysm s VAL 71 CO 0.25 -0.70 -0.27 0.00 0.00 0.00 0.00 175.10 174.38 2ysm n ASP 73 N 0.31 1.13 0.00 0.00 2.03 -1.19 -3.69 116.55 115.15 2ysm n ASP 73 Ca 0.02 -0.03 0.00 0.00 0.52 0.00 0.00 54.79 55.30 2ysm n ASP 73 Cb 0.60 0.59 0.00 0.00 -0.72 0.00 0.00 41.12 41.59 2ysm n ASP 73 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 2ysm n THR 74 N -2.78 0.00 0.23 5.18 -1.04 -1.26 -4.44 114.28 110.17 2ysm n THR 74 Ca -0.31 0.49 0.13 0.00 -2.04 0.00 0.00 64.05 62.31 2ysm n THR 74 Cb 1.03 -1.47 0.23 0.00 -1.82 0.00 0.00 70.33 68.30 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 -3.10 -3.16 -3.13 0.00 9.92 -1.24 -4.86 116.55 110.98 2ysm n ASP 76 Ca 0.04 -0.77 -0.10 0.00 -0.53 0.00 0.00 54.79 53.42 2ysm n ASP 76 Cb 0.50 -4.50 0.06 0.00 -0.64 0.00 0.00 41.12 36.53 2ysm n ASP 76 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2ysm n LYS 77 N -3.99 0.26 -3.75 -1.24 4.76 -1.26 -4.72 118.16 108.22 2ysm n LYS 77 Ca -0.22 -1.21 -0.24 0.00 -2.87 0.00 0.00 58.31 53.77 2ysm n LYS 77 Cb 0.65 -0.31 -0.17 0.00 -1.84 0.00 0.00 35.03 33.36 2ysm n LYS 77 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2ysm s GLY 78 N -3.63 0.50 -0.13 0.72 0.00 -1.26 -3.04 107.32 100.48 2ysm s GLY 78 Ca 0.30 -0.24 -0.04 0.00 0.00 0.00 0.00 44.72 44.74 2ysm s GLY 78 CO 0.20 1.25 0.22 -0.19 0.00 0.00 0.00 173.10 174.58 2ysm s TYR 79 N 1.97 -0.32 0.31 1.90 2.02 -1.18 -3.37 117.35 118.68 2ysm s TYR 79 Ca 0.04 0.73 -0.30 0.00 -0.37 0.00 0.00 57.07 57.17 2ysm s TYR 79 Cb -0.13 -0.17 -0.11 0.00 -0.40 0.00 0.00 41.96 41.15 2ysm s TYR 79 CO -0.06 -0.37 1.54 -1.01 -1.57 0.00 0.00 175.55 174.08 2ysm s HIS 80 N 2.36 2.76 0.43 2.71 3.76 -1.26 -2.36 115.29 123.68 2ysm s HIS 80 Ca 0.03 0.91 0.22 0.00 -0.15 0.00 0.00 55.06 56.08 2ysm s HIS 80 Cb -0.13 -4.02 1.21 0.00 1.11 0.00 0.00 32.58 30.75 2ysm s HIS 80 CO -0.08 -3.30 1.77 1.79 -0.85 0.00 0.00 174.74 174.07 2ysm h THR 81 N 3.31 0.47 0.00 1.30 1.35 -1.91 1.06 112.91 118.49 2ysm h THR 81 Ca -0.48 -0.10 -0.01 0.00 -0.55 0.00 0.00 66.41 65.27 2ysm h THR 81 Cb 1.22 0.15 -0.00 0.00 -1.73 0.00 0.00 68.15 67.79 2ysm h THR 81 CO 0.75 0.05 -0.22 2.19 -0.25 0.00 0.00 175.52 178.05 2ysm h PHE 82 N 0.30 0.00 -0.37 4.73 -5.15 -1.89 0.68 116.94 115.24 2ysm h PHE 82 Ca 0.61 0.00 -0.13 0.00 -0.20 0.00 0.00 57.97 58.25 2ysm h PHE 82 Cb 1.72 0.00 -0.08 0.00 0.22 0.00 0.00 35.95 37.81 2ysm h PHE 82 CO -0.00 0.05 0.16 0.00 -2.00 0.00 0.00 178.31 176.52 2ysm s LEU 84 N -1.42 2.90 -0.30 0.00 1.43 -1.14 -4.73 118.68 115.43 2ysm s LEU 84 Ca 0.26 -0.16 0.03 0.00 -1.03 0.00 0.00 54.13 53.23 2ysm s LEU 84 Cb 0.21 -1.63 0.08 0.00 0.03 0.00 0.00 46.19 44.88 2ysm s LEU 84 CO 0.06 0.33 -0.02 0.00 0.23 0.00 0.00 176.35 176.96 2ysm s GLN 85 N -0.92 1.73 1.09 1.70 0.00 -1.26 0.66 119.66 122.65 2ysm s GLN 85 Ca 0.13 -1.54 -0.15 0.00 -0.00 0.00 0.00 55.36 53.79 2ysm s GLN 85 Cb -0.11 -2.96 0.23 0.00 0.00 0.00 0.00 33.01 30.18 2ysm s GLN 85 CO 0.02 -0.77 1.10 -1.25 0.00 0.00 0.00 175.29 174.39 2ysm s PRO 86 N 1.07 -0.31 0.52 9.60 0.04 -1.26 -5.13 135.00 139.53 2ysm s PRO 86 Ca 0.02 0.26 -0.17 0.00 0.04 0.00 0.00 61.00 61.15 2ysm s PRO 86 Cb -0.19 -1.67 -0.07 0.00 0.04 0.00 0.00 34.50 32.60 2ysm s PRO 86 CO -0.08 -3.17 1.00 0.08 0.04 0.00 0.00 177.00 174.88 2ysm s VAL 87 N -2.98 4.28 -0.49 -0.36 1.01 0.21 -5.00 120.40 117.06 2ysm s VAL 87 Ca 0.68 1.15 -0.24 0.00 0.00 0.00 0.00 61.98 63.57 2ysm s VAL 87 Cb -0.15 -3.60 0.03 0.00 0.00 0.00 0.00 36.38 32.66 2ysm s VAL 87 CO 0.57 -0.57 0.88 -0.04 0.00 0.00 0.00 175.10 175.94 2ysm s MET 88 N -3.90 3.41 0.47 2.72 -1.94 0.23 -4.90 119.30 115.39 2ysm s MET 88 Ca 0.61 -0.09 0.12 0.00 -1.71 0.00 0.00 55.69 54.63 2ysm s MET 88 Cb -0.12 -3.98 1.09 0.00 2.01 0.00 0.00 34.83 33.84 2ysm s MET 88 CO 0.30 -1.28 2.10 0.87 -0.01 0.00 0.00 175.02 176.99 2ysm h LYS 89 N 9.13 0.20 -4.82 2.03 6.56 -1.95 -3.44 116.57 124.28 2ysm h LYS 89 Ca -0.25 -0.01 -0.38 0.00 -1.06 0.00 0.00 60.65 58.94 2ysm h LYS 89 Cb 1.08 -0.04 -0.14 0.00 -0.57 0.00 0.00 32.23 32.55 2ysm h LYS 89 CO 1.03 0.15 -0.56 -1.54 -2.06 0.00 0.00 179.45 176.47 2ysm s SER 90 N -6.92 1.22 -0.15 0.86 1.04 -1.26 -5.15 113.70 103.33 2ysm s SER 90 Ca -0.06 -1.55 -0.04 0.00 0.48 0.00 0.00 55.95 54.78 2ysm s SER 90 Cb 0.17 0.41 -0.03 0.00 0.10 0.00 0.00 66.02 66.67 2ysm s SER 90 CO 0.70 -0.90 -0.02 -0.69 0.98 0.00 0.00 173.24 173.30 2ysm s VAL 91 N -3.71 4.05 0.98 5.02 1.01 -1.26 -5.06 120.40 121.43 2ysm s VAL 91 Ca 0.37 -0.31 -0.12 0.00 0.00 0.00 0.00 61.98 61.93 2ysm s VAL 91 Cb 0.05 -2.78 0.18 0.00 0.00 0.00 0.00 36.38 33.83 2ysm s VAL 91 CO 0.18 0.50 1.09 -2.16 0.00 0.00 0.00 175.10 174.71 2ysm s PRO 92 N 0.28 0.58 0.00 2.72 0.04 -1.26 -5.01 135.00 132.34 2ysm s PRO 92 Ca -0.02 0.58 0.00 0.00 0.04 0.00 0.00 61.00 61.60 2ysm s PRO 92 Cb -0.14 -1.75 0.00 0.00 0.04 0.00 0.00 34.50 32.65 2ysm s PRO 92 CO 0.02 -2.64 0.00 2.41 0.04 0.00 0.00 177.00 176.83 2ysm n THR 93 N -4.12 0.00 -2.81 1.26 -1.04 -1.26 -4.93 114.28 101.37 2ysm n THR 93 Ca 0.06 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.63 2ysm n THR 93 Cb 0.57 -0.19 -0.02 0.00 -1.82 0.00 0.00 70.33 68.86 2ysm n THR 93 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2ysm s ASN 94 N -2.52 6.69 0.00 8.00 4.22 -1.26 -4.74 114.94 125.33 2ysm s ASN 94 Ca 0.00 -2.11 0.00 0.00 -2.14 0.00 0.00 52.86 48.61 2ysm s ASN 94 Cb 0.00 -2.46 0.00 0.00 1.28 0.00 0.00 41.25 40.07 2ysm s ASN 94 CO 0.00 -1.12 0.00 0.61 -2.04 0.00 0.00 177.10 174.55 2ysm n GLY 95 N 5.58 0.00 3.77 0.45 0.00 -1.26 -4.81 105.19 108.91 2ysm n GLY 95 Ca 0.31 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.51 2.76 -0.18 1.61 -0.00 -1.26 -4.92 118.94 116.45 2ysm s TRP 96 Ca 0.00 1.48 0.01 0.00 -0.00 0.00 0.00 56.10 57.58 2ysm s TRP 96 Cb 0.00 -3.53 0.03 0.00 -0.00 0.00 0.00 33.47 29.97 2ysm s TRP 96 CO 0.00 -1.90 -0.15 0.21 -0.00 0.00 0.00 176.95 175.12 2ysm s LYS 97 N -2.59 2.42 0.91 5.86 2.20 -1.26 -3.16 119.74 124.11 2ysm s LYS 97 Ca 0.63 -0.75 -0.12 0.00 -0.36 0.00 0.00 55.97 55.37 2ysm s LYS 97 Cb -0.33 -2.35 0.13 0.00 -1.51 0.00 0.00 37.83 33.77 2ysm s LYS 97 CO 0.41 -0.29 1.11 0.00 -0.36 0.00 0.00 175.35 176.21 2ysm h LYS 99 N -1.52 -0.86 -0.99 0.00 1.63 -2.00 0.67 116.57 113.51 2ysm h LYS 99 Ca -0.51 0.06 0.29 0.00 -0.85 0.00 0.00 60.65 59.64 2ysm h LYS 99 Cb 1.31 0.19 -0.04 0.00 -0.60 0.00 0.00 32.23 33.09 2ysm h LYS 99 CO 0.59 -0.57 1.16 -1.71 -3.45 0.00 0.00 179.45 175.47 2ysm n ASN 100 N -4.58 0.00 -0.05 4.20 5.15 -1.26 0.23 115.26 118.96 2ysm n ASN 100 Ca -0.11 0.72 -0.17 0.00 -0.60 0.00 0.00 54.58 54.42 2ysm n ASN 100 Cb 0.35 -0.25 -0.14 0.00 -0.53 0.00 0.00 39.78 39.22 2ysm n ASN 100 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2ysm h ARG 102 N 0.03 0.00 -6.48 0.00 0.11 0.54 -3.42 114.38 105.16 2ysm h ARG 102 Ca -0.46 0.00 -0.59 0.00 0.10 0.00 0.00 59.98 59.04 2ysm h ARG 102 Cb 2.02 0.00 0.16 0.00 1.11 0.00 0.00 29.97 33.26 2ysm h ARG 102 CO 0.03 0.00 -0.35 -0.89 0.10 0.00 0.00 179.97 178.87 2ysm n ILE 103 N -3.46 2.18 -2.04 0.08 -0.00 -1.08 -4.84 119.36 110.20 2ysm n ILE 103 Ca 0.11 -0.50 -0.42 0.00 -0.00 0.00 0.00 62.75 61.94 2ysm n ILE 103 Cb 0.88 -0.69 -0.03 0.00 -0.00 0.00 0.00 39.64 39.80 2ysm n ILE 103 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2ysm s ILE 105 N 3.68 5.31 -0.01 0.00 1.10 -1.26 -5.02 121.20 124.99 2ysm s ILE 105 Ca 0.72 0.12 -0.38 0.00 -0.51 0.00 0.00 60.65 60.60 2ysm s ILE 105 Cb -0.33 -3.57 -0.17 0.00 0.15 0.00 0.00 42.46 38.54 2ysm s ILE 105 CO 0.29 0.35 1.40 -0.24 -2.11 0.00 0.00 174.94 174.62 2ysm n SER 106 N 1.05 1.59 -3.52 4.50 2.88 -1.26 -4.94 113.62 113.91 2ysm n SER 106 Ca -0.11 1.12 -0.12 0.00 -1.33 0.00 0.00 58.87 58.43 2ysm n SER 106 Cb 0.53 -1.14 -0.04 0.00 -0.75 0.00 0.00 64.21 62.80 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 1.10 1.10 1.20 0.46 0.00 -1.26 -5.17 107.32 104.74 2ysm s GLY 107 Ca 0.89 -1.27 -0.19 0.00 0.00 0.00 0.00 44.72 44.15 2ysm s GLY 107 CO 0.53 -0.85 1.11 2.56 0.00 0.00 0.00 173.10 176.44 2ysm s PRO 108 N -3.37 -1.19 -0.09 2.90 0.04 -1.26 -5.10 135.00 126.92 2ysm s PRO 108 Ca 0.27 -0.05 -0.31 0.00 0.04 0.00 0.00 61.00 60.95 2ysm s PRO 108 Cb -0.00 -1.60 0.09 0.00 0.04 0.00 0.00 34.50 33.03 2ysm s PRO 108 CO 0.15 -3.69 0.80 0.45 0.04 0.00 0.00 177.00 174.75 2ysm s SER 109 N -3.88 -0.55 0.59 6.66 0.15 -1.26 -5.15 113.70 110.26 2ysm s SER 109 Ca 0.71 0.60 -0.18 0.00 0.70 0.00 0.00 55.95 57.78 2ysm s SER 109 Cb -0.10 0.45 -0.15 0.00 -1.71 0.00 0.00 66.02 64.51 2ysm s SER 109 CO 0.56 -0.51 -0.22 -1.54 1.20 0.00 0.00 173.24 172.74 2ysm n SER 110 N 0.84 -3.98 0.00 5.45 3.41 -1.26 -5.38 113.62 112.70 2ysm n SER 110 Ca -0.16 0.58 0.00 0.00 -0.26 0.00 0.00 58.87 59.03 2ysm n SER 110 Cb 0.57 -0.85 0.00 0.00 -0.26 0.00 0.00 64.21 63.68 2ysm n SER 110 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49