#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yqm s SER 2 N 0.00 -0.40 0.01 1.61 0.15 -1.26 -5.14 113.70 108.67 2yqm s SER 2 Ca 0.00 -1.71 -0.05 0.00 0.70 0.00 0.00 55.95 54.90 2yqm s SER 2 Cb 0.00 1.23 -0.01 0.00 -1.71 0.00 0.00 66.02 65.53 2yqm s SER 2 CO 0.00 -0.14 0.07 -0.44 1.20 0.00 0.00 173.24 173.93 2yqm s SER 3 N 1.09 0.12 0.00 5.45 0.01 -1.26 -5.14 113.70 113.97 2yqm s SER 3 Ca 0.24 -0.36 0.00 0.00 1.31 0.00 0.00 55.95 57.14 2yqm s SER 3 Cb -0.04 0.17 0.00 0.00 0.21 0.00 0.00 66.02 66.36 2yqm s SER 3 CO -0.07 -0.37 0.00 0.61 0.41 0.00 0.00 173.24 173.82 2yqm n GLY 4 N 1.39 -0.55 3.35 3.44 0.00 -1.26 -5.17 105.19 106.39 2yqm n GLY 4 Ca -0.23 -0.82 -0.12 0.00 0.00 0.00 0.00 46.02 44.86 2yqm n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yqm s SER 5 N -4.00 -0.34 -0.39 1.61 1.04 -1.26 -5.13 113.70 105.23 2yqm s SER 5 Ca 0.00 -0.13 0.01 0.00 0.48 0.00 0.00 55.95 56.31 2yqm s SER 5 Cb 0.00 0.49 0.19 0.00 0.10 0.00 0.00 66.02 66.80 2yqm s SER 5 CO 0.00 -0.83 0.83 -0.55 0.98 0.00 0.00 173.24 173.68 2yqm s SER 6 N -2.54 -0.99 -0.03 7.02 0.15 -1.26 -5.01 113.70 111.04 2yqm s SER 6 Ca 0.00 -0.66 0.06 0.00 0.70 0.00 0.00 55.95 56.05 2yqm s SER 6 Cb 0.01 1.27 0.11 0.00 -1.71 0.00 0.00 66.02 65.70 2yqm s SER 6 CO -0.09 -0.09 1.05 0.61 1.20 0.00 0.00 173.24 175.92 2yqm n GLY 7 N 3.78 1.42 3.40 9.45 0.00 -1.26 -5.06 105.19 116.92 2yqm n GLY 7 Ca 0.10 -0.32 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 2yqm n GLY 7 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2yqm s ILE 8 N -0.57 3.06 0.15 -0.61 1.01 -1.26 -5.12 121.20 117.85 2yqm s ILE 8 Ca 0.10 -0.68 0.04 0.00 0.00 0.00 0.00 60.65 60.11 2yqm s ILE 8 Cb 0.10 -2.26 -0.04 0.00 0.01 0.00 0.00 42.46 40.27 2yqm s ILE 8 CO -0.02 0.54 0.17 -0.54 0.00 0.00 0.00 174.94 175.10 2yqm s LYS 9 N 0.03 3.07 0.07 2.79 1.02 -1.26 -5.11 119.74 120.35 2yqm s LYS 9 Ca -0.04 -0.76 -0.18 0.00 0.02 0.00 0.00 55.97 55.01 2yqm s LYS 9 Cb -0.14 -2.76 0.06 0.00 -0.52 0.00 0.00 37.83 34.47 2yqm s LYS 9 CO 0.04 0.51 0.83 -1.91 -0.92 0.00 0.00 175.35 173.90 2yqm n GLU 10 N -0.30 0.33 -1.64 1.68 2.13 -1.26 -5.14 120.64 116.43 2yqm n GLU 10 Ca -0.08 -0.86 -0.43 0.00 0.66 0.00 0.00 57.16 56.45 2yqm n GLU 10 Cb 0.54 1.24 -0.01 0.00 0.27 0.00 0.00 31.44 33.49 2yqm n GLU 10 CO 0.00 0.00 0.00 1.55 -0.41 0.00 0.00 177.13 178.27 2yqm n VAL 11 N -0.59 2.11 -4.14 6.31 3.14 -1.26 -5.00 118.33 118.91 2yqm n VAL 11 Ca 0.00 -0.50 -0.15 0.00 -2.96 0.00 0.00 64.34 60.73 2yqm n VAL 11 Cb 0.42 -1.29 -0.06 0.00 -1.06 0.00 0.00 33.84 31.85 2yqm n VAL 11 CO 0.00 0.00 0.00 0.20 -6.46 0.00 0.00 176.83 170.57 2yqm s ASN 12 N -0.49 0.93 -0.34 6.55 0.01 -1.26 -5.14 114.94 115.20 2yqm s ASN 12 Ca 0.58 -1.49 -0.06 0.00 -0.71 0.00 0.00 52.86 51.18 2yqm s ASN 12 Cb -0.61 0.60 0.05 0.00 0.41 0.00 0.00 41.25 41.70 2yqm s ASN 12 CO 0.60 -1.19 0.11 -1.58 -1.51 0.00 0.00 177.10 173.53 2yqm s GLN 13 N -3.33 2.58 -0.25 -0.60 0.74 -1.26 -5.05 119.66 112.48 2yqm s GLN 13 Ca 0.33 -1.23 -0.27 0.00 0.05 0.00 0.00 55.36 54.24 2yqm s GLN 13 Cb 0.01 -3.45 0.14 0.00 1.10 0.00 0.00 33.01 30.81 2yqm s GLN 13 CO 0.20 -0.69 1.13 0.00 -0.55 0.00 0.00 175.29 175.38 2yqm s ALA 14 N 1.38 -2.02 -0.47 1.58 0.00 -1.26 -5.13 121.76 115.84 2yqm s ALA 14 Ca -0.01 1.75 -0.13 0.00 0.00 0.00 0.00 51.96 53.57 2yqm s ALA 14 Cb -0.20 -1.29 0.09 0.00 0.00 0.00 0.00 23.12 21.72 2yqm s ALA 14 CO 0.02 -0.23 0.36 -1.17 0.00 0.00 0.00 175.76 174.74 2yqm s LEU 15 N -0.34 5.58 0.31 0.00 2.96 -1.26 -5.07 118.68 120.85 2yqm s LEU 15 Ca 0.03 -1.52 -0.12 0.00 -0.22 0.00 0.00 54.13 52.30 2yqm s LEU 15 Cb -0.03 -2.11 -0.08 0.00 0.50 0.00 0.00 46.19 44.47 2yqm s LEU 15 CO -0.06 -0.65 0.67 -0.75 -1.32 0.00 0.00 176.35 174.24 2yqm s LYS 16 N 1.54 3.87 -0.33 1.98 2.20 -1.26 -4.63 119.74 123.10 2yqm s LYS 16 Ca 0.04 0.46 -0.07 0.00 -0.36 0.00 0.00 55.97 56.04 2yqm s LYS 16 Cb -0.25 -2.50 0.01 0.00 -1.51 0.00 0.00 37.83 33.57 2yqm s LYS 16 CO 0.04 0.17 0.40 0.41 -0.36 0.00 0.00 175.35 176.01 2yqm n GLY 17 N -0.52 -1.03 3.77 5.54 0.00 -1.26 -5.08 105.19 106.61 2yqm n GLY 17 Ca 0.02 0.59 -0.03 0.00 0.00 0.00 0.00 46.02 46.60 2yqm n GLY 17 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2yqm s HIS 18 N -2.33 -0.08 -0.23 1.61 2.46 -1.26 -5.15 115.29 110.31 2yqm s HIS 18 Ca 0.11 -0.24 -0.07 0.00 0.47 0.00 0.00 55.06 55.34 2yqm s HIS 18 Cb -0.03 0.65 -0.03 0.00 -0.13 0.00 0.00 32.58 33.04 2yqm s HIS 18 CO 0.48 -0.80 0.05 0.00 -2.47 0.00 0.00 174.74 172.00 2yqm s ALA 19 N -2.96 3.15 0.49 1.58 0.00 -1.26 -5.10 121.76 117.66 2yqm s ALA 19 Ca 0.14 -1.04 0.05 0.00 0.00 0.00 0.00 51.96 51.11 2yqm s ALA 19 Cb -0.01 -1.97 -0.01 0.00 0.00 0.00 0.00 23.12 21.14 2yqm s ALA 19 CO 0.02 -0.31 0.21 1.67 0.00 0.00 0.00 175.76 177.36 2yqm s TRP 20 N 1.29 2.03 -0.47 0.00 -2.14 -1.26 -5.08 118.94 113.30 2yqm s TRP 20 Ca 0.05 -0.79 -0.27 0.00 2.66 0.00 0.00 56.10 57.75 2yqm s TRP 20 Cb -0.15 -1.85 0.03 0.00 -3.10 0.00 0.00 33.47 28.41 2yqm s TRP 20 CO 0.03 -0.05 1.03 -0.51 -2.66 0.00 0.00 176.95 174.79 2yqm s LEU 21 N -4.04 3.82 -0.20 -4.66 1.43 -1.26 -4.97 118.68 108.80 2yqm s LEU 21 Ca 0.28 0.29 -0.28 0.00 -1.03 0.00 0.00 54.13 53.39 2yqm s LEU 21 Cb 0.01 -3.37 -0.05 0.00 0.03 0.00 0.00 46.19 42.81 2yqm s LEU 21 CO 0.17 -1.15 2.10 -0.54 0.23 0.00 0.00 176.35 177.15 2yqm s LYS 22 N 4.11 3.33 -0.45 1.70 1.02 -1.26 -4.92 119.74 123.26 2yqm s LYS 22 Ca 0.43 2.01 0.02 0.00 0.02 0.00 0.00 55.97 58.45 2yqm s LYS 22 Cb -0.09 -4.31 0.14 0.00 -0.52 0.00 0.00 37.83 33.06 2yqm s LYS 22 CO 0.29 -1.88 0.26 -0.51 -0.92 0.00 0.00 175.35 172.60 2yqm s ASP 23 N 7.28 3.51 0.00 2.83 1.11 -1.26 -5.02 116.67 125.12 2yqm s ASP 23 Ca 0.95 -2.72 0.00 0.00 0.18 0.00 0.00 52.55 50.96 2yqm s ASP 23 Cb -0.33 -0.99 0.00 0.00 1.07 0.00 0.00 42.92 42.68 2yqm s ASP 23 CO 0.35 -0.25 0.79 0.47 1.18 0.00 0.00 175.17 177.71 2yqm n ASP 24 N 3.41 0.00 0.00 0.27 9.92 -1.26 -4.90 116.55 123.99 2yqm n ASP 24 Ca 0.11 0.79 0.00 0.00 -0.53 0.00 0.00 54.79 55.16 2yqm n ASP 24 Cb 0.36 -0.29 0.00 0.00 -0.64 0.00 0.00 41.12 40.55 2yqm n ASP 24 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2yqm n GLU 25 N -1.38 0.00 -2.71 -1.24 1.02 -1.26 -5.07 120.64 109.99 2yqm n GLU 25 Ca 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.09 2yqm n GLU 25 Cb 0.00 0.00 0.04 0.00 -0.02 0.00 0.00 31.44 31.46 2yqm n GLU 25 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2yqm n ALA 26 N -1.94 -2.75 0.09 0.62 0.00 -1.26 -5.01 120.51 110.26 2yqm n ALA 26 Ca 0.00 -0.61 -0.03 0.00 0.00 0.00 0.00 53.44 52.80 2yqm n ALA 26 Cb 0.00 -2.41 -0.06 0.00 0.00 0.00 0.00 19.45 16.98 2yqm n ALA 26 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2yqm h THR 27 N 2.93 1.32 -2.53 0.00 2.02 -1.98 -3.46 112.91 111.21 2yqm h THR 27 Ca -0.08 -2.88 -0.62 0.00 0.77 0.00 0.00 66.41 63.60 2yqm h THR 27 Cb 1.13 2.65 -0.15 0.00 -1.74 0.00 0.00 68.15 70.04 2yqm h THR 27 CO -0.00 0.75 -0.77 -1.00 0.37 0.00 0.00 175.52 174.87 2yqm s HIS 28 N -2.82 2.33 0.59 3.16 3.76 -1.26 -4.02 115.29 117.04 2yqm s HIS 28 Ca 0.02 -0.33 -0.19 0.00 -0.15 0.00 0.00 55.06 54.42 2yqm s HIS 28 Cb 0.09 -1.06 -0.05 0.00 1.11 0.00 0.00 32.58 32.67 2yqm s HIS 28 CO 0.79 0.64 0.94 0.00 -0.85 0.00 0.00 174.74 176.25 2yqm n ARG 30 N -0.90 2.32 0.00 0.00 0.00 -1.16 -3.23 116.66 113.70 2yqm n ARG 30 Ca 0.13 -2.56 0.00 0.00 -0.00 0.00 0.00 57.85 55.43 2yqm n ARG 30 Cb 0.47 -2.01 0.00 0.00 0.00 0.00 0.00 32.46 30.92 2yqm n ARG 30 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 2yqm n GLN 31 N -0.26 0.00 0.06 -0.14 7.27 -1.26 -4.95 117.38 118.10 2yqm n GLN 31 Ca 0.48 0.00 -0.01 0.00 0.07 0.00 0.00 57.00 57.55 2yqm n GLN 31 Cb 0.59 0.00 -0.06 0.00 2.41 0.00 0.00 30.24 33.18 2yqm n GLN 31 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2yqm n GLU 33 N -3.02 -4.43 -4.23 0.00 2.13 -1.20 -4.99 120.64 104.89 2yqm n GLU 33 Ca -0.06 0.77 -0.28 0.00 0.66 0.00 0.00 57.16 58.24 2yqm n GLU 33 Cb 0.84 -5.34 -0.09 0.00 0.27 0.00 0.00 31.44 27.11 2yqm n GLU 33 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 2yqm s LYS 34 N -5.58 2.18 0.04 5.31 1.02 -1.26 -4.87 119.74 116.58 2yqm s LYS 34 Ca 0.28 -1.09 -0.30 0.00 0.02 0.00 0.00 55.97 54.87 2yqm s LYS 34 Cb -0.12 -2.29 -0.06 0.00 -0.52 0.00 0.00 37.83 34.84 2yqm s LYS 34 CO 0.35 0.48 1.24 -2.00 -0.92 0.00 0.00 175.35 174.50 2yqm s GLU 35 N -2.51 4.39 0.46 1.68 2.12 -1.26 -2.76 118.70 120.83 2yqm s GLU 35 Ca 0.24 1.81 -0.24 0.00 0.36 0.00 0.00 54.97 57.14 2yqm s GLU 35 Cb -0.10 -3.39 -0.07 0.00 0.26 0.00 0.00 34.13 30.83 2yqm s GLU 35 CO 0.15 -0.34 1.28 -0.06 -0.54 0.00 0.00 175.26 175.75 2yqm s PHE 36 N 1.37 2.67 0.32 5.30 0.08 -1.26 -5.01 117.98 121.46 2yqm s PHE 36 Ca 0.59 1.43 0.02 0.00 0.12 0.00 0.00 56.93 59.10 2yqm s PHE 36 Cb -0.30 -3.62 -0.01 0.00 -0.57 0.00 0.00 43.02 38.52 2yqm s PHE 36 CO 0.28 -2.17 0.07 0.43 -0.10 0.00 0.00 175.22 173.73 2yqm n SER 37 N -0.41 1.76 0.05 1.36 7.64 -1.01 -5.00 113.62 118.00 2yqm n SER 37 Ca 0.07 -2.60 -0.13 0.00 1.01 0.00 0.00 58.87 57.23 2yqm n SER 37 Cb 0.45 0.59 -0.08 0.00 -1.01 0.00 0.00 64.21 64.17 2yqm n SER 37 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 2yqm h ILE 38 N 1.39 1.03 0.00 0.44 1.08 -2.00 -2.96 117.51 116.50 2yqm h ILE 38 Ca -0.26 -0.25 -0.14 0.00 -0.39 0.00 0.00 64.86 63.82 2yqm h ILE 38 Cb 0.90 1.20 -0.02 0.00 -3.07 0.00 0.00 36.82 35.83 2yqm h ILE 38 CO 0.41 0.06 -0.68 0.77 -0.69 0.00 0.00 178.15 178.03 2yqm h SER 39 N -0.17 0.00 -2.99 1.72 4.64 -2.02 -3.35 113.55 111.38 2yqm h SER 39 Ca -0.01 0.00 -0.80 0.00 -0.47 0.00 0.00 61.79 60.52 2yqm h SER 39 Cb 0.15 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 61.95 2yqm h SER 39 CO 0.01 0.68 0.65 -1.14 -0.87 0.00 0.00 176.83 176.16 2yqm n ARG 40 N -3.60 4.21 -1.13 4.77 3.00 -1.12 -5.03 116.66 117.76 2yqm n ARG 40 Ca -0.00 -4.55 -0.30 0.00 -0.00 0.00 0.00 57.85 53.00 2yqm n ARG 40 Cb 0.70 -2.50 0.22 0.00 0.00 0.00 0.00 32.46 30.87 2yqm n ARG 40 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 2yqm s ARG 41 N -2.52 -0.71 0.11 -0.14 0.52 -1.22 -2.40 118.95 112.59 2yqm s ARG 41 Ca 0.31 0.08 0.06 0.00 -0.52 0.00 0.00 55.73 55.66 2yqm s ARG 41 Cb 0.03 -1.64 -0.04 0.00 0.52 0.00 0.00 34.95 33.81 2yqm s ARG 41 CO 0.07 -3.40 -0.00 -1.59 0.02 0.00 0.00 175.30 170.39 2yqm s LYS 42 N -5.29 2.50 0.31 3.54 -2.85 -1.26 -3.99 119.74 112.70 2yqm s LYS 42 Ca 0.69 -0.91 0.07 0.00 -1.00 0.00 0.00 55.97 54.82 2yqm s LYS 42 Cb -0.12 -2.49 -0.06 0.00 -2.06 0.00 0.00 37.83 33.10 2yqm s LYS 42 CO 0.56 0.52 -0.04 -1.01 0.10 0.00 0.00 175.35 175.48 2yqm s HIS 43 N -1.41 2.10 -0.10 1.78 3.76 -0.37 -4.97 115.29 116.09 2yqm s HIS 43 Ca 0.26 -0.70 0.03 0.00 -0.15 0.00 0.00 55.06 54.50 2yqm s HIS 43 Cb -0.11 -1.27 -0.01 0.00 1.11 0.00 0.00 32.58 32.30 2yqm s HIS 43 CO 0.18 0.31 -0.19 -1.01 -0.85 0.00 0.00 174.74 173.18 2yqm s HIS 44 N -2.95 2.65 0.37 1.40 3.76 -1.26 -2.87 115.29 116.39 2yqm s HIS 44 Ca 0.32 -0.71 -0.23 0.00 -0.15 0.00 0.00 55.06 54.29 2yqm s HIS 44 Cb 0.05 -1.73 -0.10 0.00 1.11 0.00 0.00 32.58 31.91 2yqm s HIS 44 CO 0.14 -0.22 0.92 0.00 -0.85 0.00 0.00 174.74 174.73 2yqm n ARG 46 N -0.08 4.75 0.00 0.00 3.00 -1.26 -3.67 116.66 119.39 2yqm n ARG 46 Ca 0.04 -3.13 0.00 0.00 -0.01 0.00 0.00 57.85 54.75 2yqm n ARG 46 Cb 0.52 -2.22 0.00 0.00 0.00 0.00 0.00 32.46 30.76 2yqm n ARG 46 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 2yqm n ASN 47 N 0.72 0.00 0.15 0.55 5.15 -1.26 -4.89 115.26 115.68 2yqm n ASN 47 Ca 0.28 0.00 0.02 0.00 -0.60 0.00 0.00 54.58 54.28 2yqm n ASN 47 Cb 1.16 0.00 0.15 0.00 -0.53 0.00 0.00 39.78 40.56 2yqm n ASN 47 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2yqm n GLY 49 N 0.77 -0.09 3.44 0.00 0.00 -1.24 -5.05 105.19 103.02 2yqm n GLY 49 Ca 0.01 0.02 -0.22 0.00 0.00 0.00 0.00 46.02 45.83 2yqm n GLY 49 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2yqm s HIS 50 N -3.20 1.84 -0.03 1.61 3.76 -1.26 -4.89 115.29 113.11 2yqm s HIS 50 Ca 0.13 -1.08 -0.13 0.00 -0.15 0.00 0.00 55.06 53.84 2yqm s HIS 50 Cb -0.02 -1.18 -0.05 0.00 1.11 0.00 0.00 32.58 32.44 2yqm s HIS 50 CO 0.39 -0.13 0.34 0.42 -0.85 0.00 0.00 174.74 174.90 2yqm s ILE 51 N -3.37 5.16 0.29 0.60 -1.09 -1.26 -2.84 121.20 118.69 2yqm s ILE 51 Ca 0.34 0.67 -0.10 0.00 -2.23 0.00 0.00 60.65 59.32 2yqm s ILE 51 Cb 0.07 -3.63 0.00 0.00 -1.58 0.00 0.00 42.46 37.33 2yqm s ILE 51 CO 0.15 0.59 0.51 -0.36 -1.23 0.00 0.00 174.94 174.59 2yqm s PHE 52 N -1.03 0.52 0.40 3.97 0.08 -1.14 -3.01 117.98 117.77 2yqm s PHE 52 Ca 0.21 -0.88 0.08 0.00 0.12 0.00 0.00 56.93 56.46 2yqm s PHE 52 Cb -0.15 0.19 0.00 0.00 -0.57 0.00 0.00 43.02 42.49 2yqm s PHE 52 CO 0.11 -1.09 0.53 0.00 -0.10 0.00 0.00 175.22 174.67 2yqm h ASN 54 N 0.74 0.66 0.24 0.00 7.08 -1.90 0.30 115.58 122.71 2yqm h ASN 54 Ca -0.41 0.07 -0.02 0.00 -3.08 0.00 0.00 56.30 52.86 2yqm h ASN 54 Cb 1.27 -0.05 -0.00 0.00 -2.08 0.00 0.00 38.32 37.46 2yqm h ASN 54 CO 0.48 0.33 -0.10 0.74 -2.08 0.00 0.00 177.43 176.80 2yqm h THR 55 N 0.75 0.64 0.00 6.14 2.02 -1.94 -2.23 112.91 118.28 2yqm h THR 55 Ca 0.45 -0.40 -0.26 0.00 0.77 0.00 0.00 66.41 66.97 2yqm h THR 55 Cb 0.54 1.25 -0.04 0.00 -1.74 0.00 0.00 68.15 68.15 2yqm h THR 55 CO -0.31 0.09 -1.63 0.00 0.37 0.00 0.00 175.52 174.05 2yqm n SER 57 N -3.00 6.66 -1.46 0.00 3.41 0.74 -1.56 113.62 118.41 2yqm n SER 57 Ca -0.15 -3.76 -0.11 0.00 -0.26 0.00 0.00 58.87 54.59 2yqm n SER 57 Cb 0.99 -0.93 0.17 0.00 -0.26 0.00 0.00 64.21 64.19 2yqm n SER 57 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2yqm n SER 58 N -0.38 3.22 -3.77 4.04 2.88 -1.12 -4.83 113.62 113.66 2yqm n SER 58 Ca 0.47 -3.78 -0.12 0.00 -1.33 0.00 0.00 58.87 54.11 2yqm n SER 58 Cb 0.33 -0.66 -0.08 0.00 -0.75 0.00 0.00 64.21 63.06 2yqm n SER 58 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 2yqm s ASN 59 N -2.47 -0.13 0.32 -3.46 0.01 -1.26 -5.09 114.94 102.86 2yqm s ASN 59 Ca 0.48 -0.10 0.05 0.00 -0.71 0.00 0.00 52.86 52.58 2yqm s ASN 59 Cb 0.42 0.33 -0.06 0.00 0.41 0.00 0.00 41.25 42.35 2yqm s ASN 59 CO 0.01 -0.53 0.01 -1.61 -1.51 0.00 0.00 177.10 173.47 2yqm s GLU 60 N -2.02 1.65 -0.28 -0.60 2.02 -1.26 -0.94 118.70 117.26 2yqm s GLU 60 Ca -0.09 -1.89 -0.24 0.00 0.02 0.00 0.00 54.97 52.77 2yqm s GLU 60 Cb -0.03 -1.05 0.09 0.00 0.10 0.00 0.00 34.13 33.25 2yqm s GLU 60 CO -0.00 -0.10 0.85 -1.17 0.02 0.00 0.00 175.26 174.86 2yqm s LEU 61 N -3.49 -0.64 -0.65 1.80 2.96 -0.98 -4.90 118.68 112.77 2yqm s LEU 61 Ca 0.34 1.21 -0.27 0.00 -0.22 0.00 0.00 54.13 55.19 2yqm s LEU 61 Cb 0.07 2.21 0.03 0.00 0.50 0.00 0.00 46.19 49.01 2yqm s LEU 61 CO 0.14 -0.21 1.20 0.00 -1.32 0.00 0.00 176.35 176.17 2yqm s ALA 62 N 0.46 2.91 0.37 5.97 0.00 -1.26 -3.05 121.76 127.15 2yqm s ALA 62 Ca 0.00 -1.14 -0.02 0.00 0.00 0.00 0.00 51.96 50.80 2yqm s ALA 62 Cb -0.05 -4.10 -0.04 0.00 0.00 0.00 0.00 23.12 18.94 2yqm s ALA 62 CO -0.04 -2.91 0.60 -0.51 0.00 0.00 0.00 175.76 172.90 2yqm s LEU 63 N 5.16 3.93 0.36 0.00 1.43 -1.26 -4.95 118.68 123.34 2yqm s LEU 63 Ca 0.37 0.61 0.27 0.00 -1.03 0.00 0.00 54.13 54.35 2yqm s LEU 63 Cb -0.09 -3.48 1.13 0.00 0.03 0.00 0.00 46.19 43.78 2yqm s LEU 63 CO 0.20 -0.34 1.81 1.55 0.23 0.00 0.00 176.35 179.79 2yqm h PRO 64 N 0.79 0.00 0.01 1.29 0.13 -1.98 -3.16 132.00 129.08 2yqm h PRO 64 Ca -0.49 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2yqm h PRO 64 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2yqm h PRO 64 CO 0.62 0.00 -0.01 0.77 -0.23 0.00 0.00 178.00 179.16 2yqm h SER 65 N 0.00 -0.01 -2.66 1.44 0.02 -1.97 -3.46 113.55 106.90 2yqm h SER 65 Ca 0.00 -0.78 -0.55 0.00 -0.84 0.00 0.00 61.79 59.62 2yqm h SER 65 Cb 0.40 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.91 2yqm h SER 65 CO 0.00 0.80 -0.45 -0.31 -1.14 0.00 0.00 176.83 175.73 2yqm s TYR 66 N -2.83 3.49 0.12 3.45 2.02 -1.19 -5.03 117.35 117.38 2yqm s TYR 66 Ca -0.17 0.18 -0.13 0.00 -0.37 0.00 0.00 57.07 56.58 2yqm s TYR 66 Cb -0.01 -1.71 -0.06 0.00 -0.40 0.00 0.00 41.96 39.77 2yqm s TYR 66 CO 0.64 0.50 1.45 -1.00 -1.57 0.00 0.00 175.55 175.58 2yqm h PRO 67 N 2.26 0.84 -6.29 -1.71 0.13 -1.89 -3.39 132.00 121.94 2yqm h PRO 67 Ca -0.48 -0.44 -0.58 0.00 -0.87 0.00 0.00 66.00 63.63 2yqm h PRO 67 Cb 1.19 0.02 -0.11 0.00 0.13 0.00 0.00 31.00 32.22 2yqm h PRO 67 CO 0.70 1.08 -0.67 -1.59 -0.23 0.00 0.00 178.00 177.28 2yqm s LYS 68 N -4.38 2.21 -0.09 0.86 -2.85 -1.26 -4.94 119.74 109.29 2yqm s LYS 68 Ca -0.12 -1.35 -0.30 0.00 -1.00 0.00 0.00 55.97 53.20 2yqm s LYS 68 Cb 0.10 -2.17 -0.04 0.00 -2.06 0.00 0.00 37.83 33.66 2yqm s LYS 68 CO 0.86 0.39 1.52 -1.25 0.10 0.00 0.00 175.35 176.97 2yqm s PRO 69 N -3.34 4.20 0.51 1.78 0.04 -1.26 -4.62 135.00 132.31 2yqm s PRO 69 Ca 0.29 2.01 0.07 0.00 0.04 0.00 0.00 61.00 63.40 2yqm s PRO 69 Cb -0.07 -3.89 0.09 0.00 0.04 0.00 0.00 34.50 30.66 2yqm s PRO 69 CO 0.18 -0.79 0.70 1.33 0.04 0.00 0.00 177.00 178.47 2yqm n VAL 70 N 5.40 0.00 -2.90 -0.36 0.24 -1.17 -4.65 118.33 114.88 2yqm n VAL 70 Ca 0.16 -1.56 -0.42 0.00 -2.04 0.00 0.00 64.34 60.48 2yqm n VAL 70 Cb 0.43 -0.67 -0.04 0.00 -1.47 0.00 0.00 33.84 32.09 2yqm n VAL 70 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 2yqm s ARG 71 N -4.28 4.19 0.48 7.34 3.52 -1.26 -2.33 118.95 126.61 2yqm s ARG 71 Ca 0.52 0.94 0.01 0.00 -0.13 0.00 0.00 55.73 57.06 2yqm s ARG 71 Cb -0.04 -3.64 0.01 0.00 -1.56 0.00 0.00 34.95 29.72 2yqm s ARG 71 CO 0.33 -0.50 0.05 1.33 -0.81 0.00 0.00 175.30 175.69 2yqm n VAL 72 N 5.22 0.00 -3.83 7.11 0.24 -0.12 -4.26 118.33 122.69 2yqm n VAL 72 Ca 0.05 -2.22 -0.26 0.00 -2.04 0.00 0.00 64.34 59.88 2yqm n VAL 72 Cb 0.48 0.39 -0.03 0.00 -1.47 0.00 0.00 33.84 33.20 2yqm n VAL 72 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2yqm h ASP 74 N 1.91 0.30 0.12 0.00 1.82 -1.66 0.18 116.42 119.09 2yqm h ASP 74 Ca -0.49 0.01 -0.01 0.00 -0.39 0.00 0.00 57.03 56.15 2yqm h ASP 74 Cb 1.20 -0.05 -0.00 0.00 0.68 0.00 0.00 39.33 41.16 2yqm h ASP 74 CO 0.67 0.17 -0.07 0.28 -1.61 0.00 0.00 179.24 178.68 2yqm h SER 75 N 0.33 0.00 0.02 2.28 0.02 -1.94 -0.37 113.55 113.89 2yqm h SER 75 Ca 0.30 0.00 -0.36 0.00 -0.84 0.00 0.00 61.79 60.89 2yqm h SER 75 Cb 0.72 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.21 2yqm h SER 75 CO -0.08 0.07 -2.03 0.00 -1.14 0.00 0.00 176.83 173.65 2yqm h HIS 77 N -0.66 0.55 -0.05 0.00 6.17 -0.81 0.24 115.15 120.60 2yqm h HIS 77 Ca -0.52 0.03 -0.20 0.00 0.71 0.00 0.00 60.37 60.38 2yqm h HIS 77 Cb 1.63 -0.16 -0.00 0.00 2.52 0.00 0.00 27.41 31.41 2yqm h HIS 77 CO 0.02 0.23 -0.81 1.15 0.71 0.00 0.00 177.93 179.23 2yqm h THR 78 N 0.56 1.38 0.72 6.26 2.02 -1.27 -2.68 112.91 119.91 2yqm h THR 78 Ca 0.29 -2.26 -0.04 0.00 0.77 0.00 0.00 66.41 65.18 2yqm h THR 78 Cb 0.24 2.23 0.01 0.00 -1.74 0.00 0.00 68.15 68.89 2yqm h THR 78 CO -0.22 0.68 -0.35 0.25 0.37 0.00 0.00 175.52 176.25 2yqm h LEU 79 N 0.27 -0.82 -0.35 2.58 5.85 -1.35 -1.43 115.31 120.05 2yqm h LEU 79 Ca -0.05 0.03 0.07 0.00 0.84 0.00 0.00 57.88 58.77 2yqm h LEU 79 Cb 1.42 0.21 -0.07 0.00 0.37 0.00 0.00 40.66 42.59 2yqm h LEU 79 CO 0.14 -0.44 -0.10 -0.07 -0.34 0.00 0.00 178.44 177.63 2yqm h LEU 80 N -1.26 -0.36 -2.16 2.25 3.38 -0.66 0.13 115.31 116.63 2yqm h LEU 80 Ca -0.10 0.11 0.02 0.00 0.09 0.00 0.00 57.88 58.00 2yqm h LEU 80 Cb 0.75 0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.72 2yqm h LEU 80 CO 0.16 -0.13 0.06 -0.07 0.09 0.00 0.00 178.44 178.56 2yqm h LEU 81 N -0.01 0.00 -3.66 1.67 3.38 -1.52 -1.13 115.31 114.03 2yqm h LEU 81 Ca 0.17 0.00 -0.40 0.00 0.09 0.00 0.00 57.88 57.73 2yqm h LEU 81 Cb 0.27 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 40.79 2yqm h LEU 81 CO -0.37 0.00 0.11 0.00 0.09 0.00 0.00 178.44 178.27 2yqm n GLN 82 N -4.24 2.38 -0.07 1.13 1.13 0.27 -4.54 117.38 113.43 2yqm n GLN 82 Ca -0.01 -3.35 -0.13 0.00 -1.94 0.00 0.00 57.00 51.56 2yqm n GLN 82 Cb 0.17 -2.06 -0.05 0.00 0.11 0.00 0.00 30.24 28.41 2yqm n GLN 82 CO 0.00 0.00 0.00 -2.13 -1.44 0.00 0.00 177.06 173.49 2yqm n ARG 83 N -1.02 0.31 -3.29 -1.09 0.63 -0.16 -4.93 116.66 107.11 2yqm n ARG 83 Ca 0.46 0.12 -0.14 0.00 -0.92 0.00 0.00 57.85 57.37 2yqm n ARG 83 Cb 1.07 -1.08 0.04 0.00 0.45 0.00 0.00 32.46 32.93 2yqm n ARG 83 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2yqm h SER 85 N -0.71 0.00 -5.15 0.00 0.02 -1.97 -3.48 113.55 102.25 2yqm h SER 85 Ca -0.43 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 60.18 2yqm h SER 85 Cb 1.23 0.00 0.12 0.00 0.14 0.00 0.00 62.40 63.89 2yqm h SER 85 CO 0.40 0.28 -0.59 -1.20 -1.14 0.00 0.00 176.83 174.58 2yqm n SER 86 N -3.23 -5.63 -4.46 3.07 7.64 -1.26 -4.94 113.62 104.82 2yqm n SER 86 Ca -0.02 -0.47 -0.43 0.00 1.01 0.00 0.00 58.87 58.96 2yqm n SER 86 Cb 0.07 -4.39 -0.03 0.00 -1.01 0.00 0.00 64.21 58.84 2yqm n SER 86 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2yqm s THR 87 N -3.28 4.42 -0.77 0.44 -4.23 -1.26 -4.98 115.64 105.99 2yqm s THR 87 Ca 0.48 -0.74 -0.25 0.00 -1.18 0.00 0.00 61.69 60.00 2yqm s THR 87 Cb -0.21 -4.73 -0.02 0.00 1.34 0.00 0.00 72.50 68.88 2yqm s THR 87 CO 0.63 -1.49 1.82 0.00 -0.54 0.00 0.00 174.62 175.03 2yqm s ALA 88 N 3.70 2.05 0.00 3.99 0.00 -1.26 -5.23 121.76 125.01 2yqm s ALA 88 Ca 0.26 -1.18 0.00 0.00 0.00 0.00 0.00 51.96 51.04 2yqm s ALA 88 Cb -0.13 -4.42 0.00 0.00 0.00 0.00 0.00 23.12 18.57 2yqm s ALA 88 CO 0.04 -4.21 0.00 0.45 0.00 0.00 0.00 175.76 172.04