#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 5.97 0.83 1.61 1.04 -1.26 -4.99 113.70 116.90 2yqm s SER 2 Ca 0.00 -0.03 -0.06 0.00 0.48 0.00 0.00 55.95 56.34 2yqm s SER 2 Cb 0.00 -2.55 0.17 0.00 0.10 0.00 0.00 66.02 63.75 2yqm s SER 2 CO 0.00 -1.90 1.14 -0.94 0.98 0.00 0.00 173.24 172.52 2yqm s SER 3 N 4.85 3.72 0.00 7.02 1.04 -1.26 -5.00 113.70 124.07 2yqm s SER 3 Ca 0.48 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.61 2yqm s SER 3 Cb -0.10 0.14 0.00 0.00 0.10 0.00 0.00 66.02 66.16 2yqm s SER 3 CO 0.20 -2.31 0.00 0.61 0.98 0.00 0.00 173.24 172.72 2yqm n GLY 4 N -3.22 0.06 3.59 7.32 0.00 -1.26 -5.17 105.19 106.51 2yqm n GLY 4 Ca 0.17 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.08 2yqm n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yqm s SER 5 N -0.00 -0.44 -0.14 1.61 0.15 -1.26 -5.12 113.70 108.50 2yqm s SER 5 Ca 0.00 0.61 -0.29 0.00 0.70 0.00 0.00 55.95 56.98 2yqm s SER 5 Cb 0.00 0.54 -0.06 0.00 -1.71 0.00 0.00 66.02 64.79 2yqm s SER 5 CO 0.00 -0.32 2.02 -0.55 1.20 0.00 0.00 173.24 175.59 2yqm s SER 6 N -0.69 5.96 -0.45 5.45 0.15 -1.26 -4.86 113.70 117.99 2yqm s SER 6 Ca -0.02 2.08 0.03 0.00 0.70 0.00 0.00 55.95 58.74 2yqm s SER 6 Cb -0.02 -2.52 0.23 0.00 -1.71 0.00 0.00 66.02 62.00 2yqm s SER 6 CO 0.01 -1.53 0.93 0.61 1.20 0.00 0.00 173.24 174.45 2yqm n GLY 7 N 5.16 -0.72 2.59 9.45 0.00 -1.26 -5.04 105.19 115.36 2yqm n GLY 7 Ca 0.24 0.56 -0.27 0.00 0.00 0.00 0.00 46.02 46.56 2yqm n GLY 7 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2yqm n ILE 8 N 2.19 1.31 -3.55 -0.61 2.08 -1.26 -4.87 119.36 114.64 2yqm n ILE 8 Ca 0.11 -4.73 -0.19 0.00 0.56 0.00 0.00 62.75 58.50 2yqm n ILE 8 Cb 0.62 -2.07 0.06 0.00 -0.75 0.00 0.00 39.64 37.51 2yqm n ILE 8 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 2yqm n LYS 9 N 1.60 -5.79 -4.07 0.38 5.02 -1.26 -4.99 118.16 109.05 2yqm n LYS 9 Ca 0.25 0.74 -0.34 0.00 -2.02 0.00 0.00 58.31 56.94 2yqm n LYS 9 Cb 0.41 -5.54 -0.14 0.00 -0.02 0.00 0.00 35.03 29.73 2yqm n LYS 9 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2yqm s GLU 10 N -5.64 3.33 0.05 1.97 2.56 -1.26 -5.11 118.70 114.60 2yqm s GLU 10 Ca 0.00 -0.66 0.09 0.00 0.00 0.00 0.00 54.97 54.41 2yqm s GLU 10 Cb -0.00 -2.89 -0.03 0.00 2.00 0.00 0.00 34.13 33.21 2yqm s GLU 10 CO 0.77 -0.13 -0.26 0.08 -0.56 0.00 0.00 175.26 175.16 2yqm s VAL 11 N 1.27 2.09 -0.30 3.70 1.01 -1.26 -5.08 120.40 121.83 2yqm s VAL 11 Ca 0.03 -1.38 -0.14 0.00 0.00 0.00 0.00 61.98 60.49 2yqm s VAL 11 Cb -0.14 -1.79 0.14 0.00 0.00 0.00 0.00 36.38 34.59 2yqm s VAL 11 CO -0.03 0.34 0.89 0.21 0.00 0.00 0.00 175.10 176.51 2yqm s ASN 12 N -1.26 -0.71 -0.04 3.32 3.84 -1.26 -5.04 114.94 113.80 2yqm s ASN 12 Ca 0.11 1.02 0.17 0.00 0.21 0.00 0.00 52.86 54.38 2yqm s ASN 12 Cb -0.10 1.64 0.32 0.00 -0.55 0.00 0.00 41.25 42.56 2yqm s ASN 12 CO 0.02 -0.15 1.14 0.00 -2.79 0.00 0.00 177.10 175.32 2yqm n GLN 13 N 4.66 0.29 -2.97 0.43 1.13 -1.26 -4.90 117.38 114.75 2yqm n GLN 13 Ca -0.13 -1.97 -0.15 0.00 -1.94 0.00 0.00 57.00 52.80 2yqm n GLN 13 Cb 0.54 -0.42 0.00 0.00 0.11 0.00 0.00 30.24 30.47 2yqm n GLN 13 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2yqm n ALA 14 N 0.06 0.57 -1.54 -1.58 0.00 -1.26 -5.00 120.51 111.76 2yqm n ALA 14 Ca 0.07 -2.43 -0.28 0.00 0.00 0.00 0.00 53.44 50.80 2yqm n ALA 14 Cb 0.95 -1.06 -0.05 0.00 0.00 0.00 0.00 19.45 19.30 2yqm n ALA 14 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2yqm n LEU 15 N 1.07 6.59 -4.66 0.00 4.77 -1.26 -4.93 117.00 118.58 2yqm n LEU 15 Ca 0.15 -4.16 -0.32 0.00 -0.03 0.00 0.00 56.01 51.66 2yqm n LEU 15 Cb 0.62 -1.22 -0.09 0.00 -2.33 0.00 0.00 43.42 40.40 2yqm n LEU 15 CO 0.12 1.74 -0.34 -0.75 -1.33 0.00 0.00 177.39 176.83 2yqm s LYS 16 N -1.97 2.70 0.00 3.23 2.20 -1.26 -5.00 119.74 119.64 2yqm s LYS 16 Ca 0.58 -0.67 0.00 0.00 -0.36 0.00 0.00 55.97 55.53 2yqm s LYS 16 Cb 0.39 -2.61 0.00 0.00 -1.51 0.00 0.00 37.83 34.10 2yqm s LYS 16 CO -0.24 0.61 0.00 0.41 -0.36 0.00 0.00 175.35 175.76 2yqm n GLY 17 N 1.33 -1.19 3.50 5.54 0.00 -1.26 -5.16 105.19 107.95 2yqm n GLY 17 Ca -0.14 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.39 2yqm n GLY 17 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2yqm s HIS 18 N 0.00 -0.51 -0.47 1.61 -3.43 -1.26 -5.12 115.29 106.11 2yqm s HIS 18 Ca 0.00 0.94 0.04 0.00 -0.80 0.00 0.00 55.06 55.24 2yqm s HIS 18 Cb 0.00 0.31 0.12 0.00 -1.43 0.00 0.00 32.58 31.58 2yqm s HIS 18 CO 0.00 -0.25 0.21 0.00 -2.00 0.00 0.00 174.74 172.70 2yqm s ALA 19 N 1.83 3.08 -0.29 -1.38 0.00 -1.26 -5.05 121.76 118.70 2yqm s ALA 19 Ca -0.05 -3.04 -0.16 0.00 0.00 0.00 0.00 51.96 48.71 2yqm s ALA 19 Cb -0.04 -2.09 0.14 0.00 0.00 0.00 0.00 23.12 21.13 2yqm s ALA 19 CO -0.15 -1.95 0.95 1.67 0.00 0.00 0.00 175.76 176.27 2yqm s TRP 20 N 0.03 -0.63 -0.17 0.00 1.48 -1.26 -5.15 118.94 113.24 2yqm s TRP 20 Ca 0.16 1.25 0.01 0.00 -1.06 0.00 0.00 56.10 56.45 2yqm s TRP 20 Cb -0.24 0.38 0.02 0.00 -1.16 0.00 0.00 33.47 32.47 2yqm s TRP 20 CO -0.02 -0.31 -0.18 -0.51 -4.06 0.00 0.00 176.95 171.86 2yqm s LEU 21 N 1.49 2.00 -0.05 -4.66 1.02 -1.26 -5.11 118.68 112.11 2yqm s LEU 21 Ca -0.09 -0.60 0.02 0.00 0.02 0.00 0.00 54.13 53.48 2yqm s LEU 21 Cb -0.04 -1.39 0.02 0.00 0.02 0.00 0.00 46.19 44.80 2yqm s LEU 21 CO -0.16 -0.02 -0.08 -0.54 0.02 0.00 0.00 176.35 175.58 2yqm s LYS 22 N 1.35 1.14 -0.33 1.70 1.02 -1.26 -5.11 119.74 118.26 2yqm s LYS 22 Ca 0.05 -0.25 0.02 0.00 0.02 0.00 0.00 55.97 55.81 2yqm s LYS 22 Cb -0.13 -1.03 0.10 0.00 -0.52 0.00 0.00 37.83 36.25 2yqm s LYS 22 CO -0.12 -0.00 0.06 -0.51 -0.92 0.00 0.00 175.35 173.86 2yqm s ASP 23 N 0.67 4.49 -0.02 2.83 1.01 -1.26 -4.96 116.67 119.42 2yqm s ASP 23 Ca -0.11 -1.95 -0.04 0.00 0.71 0.00 0.00 52.55 51.16 2yqm s ASP 23 Cb -0.14 -1.35 -0.01 0.00 1.01 0.00 0.00 42.92 42.43 2yqm s ASP 23 CO 0.02 -0.39 -0.08 0.47 0.21 0.00 0.00 175.17 175.40 2yqm n ASP 24 N 4.47 0.66 0.02 0.27 9.92 -1.26 -5.05 116.55 125.58 2yqm n ASP 24 Ca 0.01 0.10 0.00 0.00 -0.53 0.00 0.00 54.79 54.38 2yqm n ASP 24 Cb 0.42 -0.38 0.00 0.00 -0.64 0.00 0.00 41.12 40.52 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 -3.14 0.00 -3.64 -1.24 1.02 -1.26 -5.13 120.64 107.25 2yqm n GLU 25 Ca -0.03 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.05 2yqm n GLU 25 Cb 0.11 -0.08 -0.07 0.00 -0.02 0.00 0.00 31.44 31.38 2yqm n GLU 25 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2yqm s ALA 26 N -2.00 -2.05 -0.10 0.62 0.00 -1.26 -5.05 121.76 111.91 2yqm s ALA 26 Ca 0.00 2.23 0.04 0.00 0.00 0.00 0.00 51.96 54.23 2yqm s ALA 26 Cb 0.00 -1.53 -0.08 0.00 0.00 0.00 0.00 23.12 21.50 2yqm s ALA 26 CO 0.00 -0.34 -0.04 2.41 0.00 0.00 0.00 175.76 177.78 2yqm n THR 27 N 3.66 0.60 -4.06 0.00 -1.04 -1.26 -5.06 114.28 107.12 2yqm n THR 27 Ca -0.18 -0.29 -0.09 0.00 -2.04 0.00 0.00 64.05 61.45 2yqm n THR 27 Cb 0.58 -0.84 -0.11 0.00 -1.82 0.00 0.00 70.33 68.14 2yqm n THR 27 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 2yqm s HIS 28 N -2.21 0.53 0.93 -1.42 3.76 -1.26 -3.74 115.29 111.87 2yqm s HIS 28 Ca -0.10 -0.78 -0.11 0.00 -0.15 0.00 0.00 55.06 53.91 2yqm s HIS 28 Cb 0.03 -0.35 0.09 0.00 1.11 0.00 0.00 32.58 33.47 2yqm s HIS 28 CO 0.29 -0.23 0.80 0.00 -0.85 0.00 0.00 174.74 174.74 2yqm n ARG 30 N -3.03 2.62 0.16 0.00 3.00 -1.24 -3.96 116.66 114.21 2yqm n ARG 30 Ca 0.09 -3.06 0.00 0.00 -0.00 0.00 0.00 57.85 54.89 2yqm n ARG 30 Cb 0.53 -1.98 0.00 0.00 0.00 0.00 0.00 32.46 31.00 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 -0.75 0.00 0.11 -0.14 7.27 -1.26 -4.92 117.38 117.68 2yqm n GLN 31 Ca 0.37 0.00 0.01 0.00 0.07 0.00 0.00 57.00 57.45 2yqm n GLN 31 Cb 1.20 0.00 -0.02 0.00 2.41 0.00 0.00 30.24 33.83 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 -3.17 -2.15 -4.61 0.00 1.02 -1.25 -5.02 120.64 105.44 2yqm n GLU 33 Ca -0.01 0.73 -0.24 0.00 -0.02 0.00 0.00 57.16 57.61 2yqm n GLU 33 Cb 0.78 -5.14 -0.16 0.00 -0.02 0.00 0.00 31.44 26.90 2yqm n GLU 33 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2yqm s LYS 34 N -4.23 1.62 0.16 3.49 1.02 -1.26 -4.89 119.74 115.65 2yqm s LYS 34 Ca 0.36 -0.44 -0.34 0.00 0.02 0.00 0.00 55.97 55.57 2yqm s LYS 34 Cb -0.05 -1.37 -0.14 0.00 -0.52 0.00 0.00 37.83 35.75 2yqm s LYS 34 CO 0.62 0.08 1.47 -1.91 -0.92 0.00 0.00 175.35 174.69 2yqm n GLU 35 N 3.60 1.87 -2.49 1.68 2.13 -1.26 -3.53 120.64 122.64 2yqm n GLU 35 Ca -0.21 0.67 -0.40 0.00 0.66 0.00 0.00 57.16 57.87 2yqm n GLU 35 Cb 0.52 -2.38 -0.04 0.00 0.27 0.00 0.00 31.44 29.81 2yqm n GLU 35 CO 0.00 0.00 0.00 -0.06 -0.41 0.00 0.00 177.13 176.66 2yqm s PHE 36 N 0.58 3.60 0.48 4.31 0.08 -1.25 -5.01 117.98 120.77 2yqm s PHE 36 Ca 0.78 1.69 0.02 0.00 0.12 0.00 0.00 56.93 59.54 2yqm s PHE 36 Cb -0.74 -3.27 -0.02 0.00 -0.57 0.00 0.00 43.02 38.41 2yqm s PHE 36 CO 0.43 -0.53 0.02 -1.12 -0.10 0.00 0.00 175.22 173.92 2yqm s SER 37 N -0.79 3.86 0.12 1.36 0.01 -1.21 -5.01 113.70 112.05 2yqm s SER 37 Ca 0.45 -1.61 -0.17 0.00 1.31 0.00 0.00 55.95 55.93 2yqm s SER 37 Cb -0.31 0.38 -0.04 0.00 0.21 0.00 0.00 66.02 66.26 2yqm s SER 37 CO 0.40 -0.80 1.65 0.40 0.41 0.00 0.00 173.24 175.30 2yqm h ILE 38 N 1.49 1.19 0.00 1.44 5.03 -2.00 -2.80 117.51 121.87 2yqm h ILE 38 Ca -0.43 -0.59 -0.11 0.00 -0.12 0.00 0.00 64.86 63.61 2yqm h ILE 38 Cb 1.30 0.97 -0.02 0.00 -3.03 0.00 0.00 36.82 36.04 2yqm h ILE 38 CO 0.73 0.21 -0.50 -1.28 -0.68 0.00 0.00 178.15 176.62 2yqm h SER 39 N 0.38 0.00 -2.58 1.72 0.87 -2.02 -3.33 113.55 108.59 2yqm h SER 39 Ca 0.11 0.00 -0.76 0.00 -1.23 0.00 0.00 61.79 59.91 2yqm h SER 39 Cb 0.20 0.00 -0.31 0.00 -0.44 0.00 0.00 62.40 61.86 2yqm h SER 39 CO -0.01 0.50 0.54 -1.14 -0.53 0.00 0.00 176.83 176.20 2yqm n ARG 40 N -3.47 4.37 -0.77 2.24 0.63 -1.06 -5.05 116.66 113.56 2yqm n ARG 40 Ca 0.00 -4.63 -0.29 0.00 -0.92 0.00 0.00 57.85 52.01 2yqm n ARG 40 Cb 0.62 -2.44 0.21 0.00 0.45 0.00 0.00 32.46 31.30 2yqm n ARG 40 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 2yqm s ARG 41 N -3.23 -0.03 0.28 -0.14 0.52 -1.21 -3.28 118.95 111.85 2yqm s ARG 41 Ca 0.36 0.92 -0.01 0.00 -0.52 0.00 0.00 55.73 56.48 2yqm s ARG 41 Cb 0.12 -1.65 -0.04 0.00 0.52 0.00 0.00 34.95 33.90 2yqm s ARG 41 CO 0.01 -3.15 0.48 -1.59 0.02 0.00 0.00 175.30 171.07 2yqm s LYS 42 N -4.64 3.53 -0.06 3.54 -2.85 -1.26 -4.30 119.74 113.69 2yqm s LYS 42 Ca 0.67 -0.29 0.01 0.00 -1.00 0.00 0.00 55.97 55.36 2yqm s LYS 42 Cb -0.22 -2.73 0.02 0.00 -2.06 0.00 0.00 37.83 32.83 2yqm s LYS 42 CO 0.61 0.27 -0.07 -1.01 0.10 0.00 0.00 175.35 175.25 2yqm s HIS 43 N -2.09 1.03 -0.36 1.78 3.76 0.67 -4.98 115.29 115.10 2yqm s HIS 43 Ca 0.40 -0.36 -0.26 0.00 -0.15 0.00 0.00 55.06 54.69 2yqm s HIS 43 Cb -0.10 -0.86 0.01 0.00 1.11 0.00 0.00 32.58 32.74 2yqm s HIS 43 CO 0.32 -0.27 0.92 -1.01 -0.85 0.00 0.00 174.74 173.85 2yqm s HIS 44 N 1.06 3.09 0.45 1.40 0.09 -1.26 -2.64 115.29 117.48 2yqm s HIS 44 Ca -0.08 0.79 -0.23 0.00 -0.00 0.00 0.00 55.06 55.53 2yqm s HIS 44 Cb -0.14 -3.61 -0.09 0.00 -0.00 0.00 0.00 32.58 28.73 2yqm s HIS 44 CO -0.01 -0.80 1.02 0.00 -0.00 0.00 0.00 174.74 174.95 2yqm n ARG 46 N -0.05 4.31 0.00 0.00 3.00 -1.26 -3.54 116.66 119.12 2yqm n ARG 46 Ca 0.10 -2.76 0.00 0.00 -0.01 0.00 0.00 57.85 55.18 2yqm n ARG 46 Cb 0.41 -2.13 0.00 0.00 0.00 0.00 0.00 32.46 30.74 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 0.62 0.00 0.13 0.55 5.15 -1.26 -4.89 115.26 115.57 2yqm n ASN 47 Ca 0.24 0.00 0.01 0.00 -0.60 0.00 0.00 54.58 54.23 2yqm n ASN 47 Cb 1.05 0.00 0.09 0.00 -0.53 0.00 0.00 39.78 40.39 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 0.89 -0.32 3.35 0.00 0.00 -1.23 -5.04 105.19 102.83 2yqm n GLY 49 Ca 0.01 0.04 -0.19 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.06 1.62 -0.31 1.61 3.76 -1.26 -4.89 115.29 112.76 2yqm s HIS 50 Ca 0.07 -1.34 -0.14 0.00 -0.15 0.00 0.00 55.06 53.50 2yqm s HIS 50 Cb -0.01 -0.89 -0.03 0.00 1.11 0.00 0.00 32.58 32.77 2yqm s HIS 50 CO 0.27 -0.49 0.30 0.42 -0.85 0.00 0.00 174.74 174.40 2yqm s ILE 51 N -3.59 5.22 0.12 0.60 -1.09 -1.26 -2.33 121.20 118.88 2yqm s ILE 51 Ca 0.35 0.17 0.01 0.00 -2.23 0.00 0.00 60.65 58.95 2yqm s ILE 51 Cb 0.05 -3.70 -0.04 0.00 -1.58 0.00 0.00 42.46 37.19 2yqm s ILE 51 CO 0.17 0.07 -0.01 -0.36 -1.23 0.00 0.00 174.94 173.58 2yqm s PHE 52 N 1.92 0.92 0.14 3.97 0.08 -1.08 -3.66 117.98 120.27 2yqm s PHE 52 Ca 0.10 -1.05 0.02 0.00 0.12 0.00 0.00 56.93 56.12 2yqm s PHE 52 Cb -0.16 -0.54 0.03 0.00 -0.57 0.00 0.00 43.02 41.77 2yqm s PHE 52 CO 0.11 -0.29 0.20 0.00 -0.10 0.00 0.00 175.22 175.14 2yqm h ASN 54 N -0.02 0.35 -0.11 0.00 -0.73 -1.88 0.24 115.58 113.43 2yqm h ASN 54 Ca -0.07 -0.52 0.03 0.00 1.87 0.00 0.00 56.30 57.61 2yqm h ASN 54 Cb 0.29 -0.10 -0.00 0.00 0.27 0.00 0.00 38.32 38.77 2yqm h ASN 54 CO 0.09 0.81 0.13 0.74 -0.37 0.00 0.00 177.43 178.82 2yqm h THR 55 N -0.09 0.47 0.00 -3.57 2.02 -1.96 -1.30 112.91 108.48 2yqm h THR 55 Ca 0.01 0.00 -0.34 0.00 0.77 0.00 0.00 66.41 66.85 2yqm h THR 55 Cb 0.73 0.90 -0.06 0.00 -1.74 0.00 0.00 68.15 67.97 2yqm h THR 55 CO 0.04 0.00 -2.13 0.00 0.37 0.00 0.00 175.52 173.80 2yqm n SER 57 N -2.86 6.79 -2.21 0.00 3.41 0.83 -2.12 113.62 117.46 2yqm n SER 57 Ca -0.27 -3.80 -0.25 0.00 -0.26 0.00 0.00 58.87 54.29 2yqm n SER 57 Cb 1.12 -0.86 0.16 0.00 -0.26 0.00 0.00 64.21 64.36 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 -0.63 4.37 -3.82 4.04 2.88 -0.66 -4.72 113.62 115.08 2yqm n SER 58 Ca 0.52 -3.60 -0.12 0.00 -1.33 0.00 0.00 58.87 54.34 2yqm n SER 58 Cb 0.48 -0.86 -0.10 0.00 -0.75 0.00 0.00 64.21 62.98 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 -1.32 -0.12 0.30 -3.46 0.01 -1.26 -5.10 114.94 103.99 2yqm s ASN 59 Ca 0.57 0.10 0.10 0.00 -0.71 0.00 0.00 52.86 52.92 2yqm s ASN 59 Cb 0.47 0.33 -0.06 0.00 0.41 0.00 0.00 41.25 42.40 2yqm s ASN 59 CO 0.09 -0.29 -0.13 -1.61 -1.51 0.00 0.00 177.10 173.64 2yqm s GLU 60 N -0.85 1.68 -0.21 -0.60 2.02 -1.26 -1.44 118.70 118.04 2yqm s GLU 60 Ca -0.09 -1.82 -0.24 0.00 0.02 0.00 0.00 54.97 52.84 2yqm s GLU 60 Cb -0.05 -1.59 0.06 0.00 0.10 0.00 0.00 34.13 32.66 2yqm s GLU 60 CO 0.02 0.20 0.65 -1.17 0.02 0.00 0.00 175.26 174.98 2yqm s LEU 61 N -3.52 -0.50 -0.60 1.80 2.96 -1.06 -4.92 118.68 112.85 2yqm s LEU 61 Ca 0.30 1.21 -0.26 0.00 -0.22 0.00 0.00 54.13 55.16 2yqm s LEU 61 Cb -0.00 2.27 0.04 0.00 0.50 0.00 0.00 46.19 48.99 2yqm s LEU 61 CO 0.14 -0.28 1.11 0.00 -1.32 0.00 0.00 176.35 176.00 2yqm s ALA 62 N 0.10 3.02 0.36 5.97 0.00 -1.26 -3.00 121.76 126.96 2yqm s ALA 62 Ca -0.02 -1.10 -0.02 0.00 0.00 0.00 0.00 51.96 50.83 2yqm s ALA 62 Cb -0.04 -3.96 -0.04 0.00 0.00 0.00 0.00 23.12 19.09 2yqm s ALA 62 CO 0.02 -2.67 0.60 -0.51 0.00 0.00 0.00 175.76 173.20 2yqm s LEU 63 N 4.68 3.94 0.36 0.00 1.43 -1.26 -4.95 118.68 122.88 2yqm s LEU 63 Ca 0.36 0.60 0.27 0.00 -1.03 0.00 0.00 54.13 54.33 2yqm s LEU 63 Cb -0.10 -3.47 1.13 0.00 0.03 0.00 0.00 46.19 43.79 2yqm s LEU 63 CO 0.21 -0.34 1.81 1.55 0.23 0.00 0.00 176.35 179.81 2yqm h PRO 64 N 0.80 0.00 0.01 1.29 0.13 -1.98 -3.16 132.00 129.09 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 -0.00 0.77 -0.23 0.00 0.00 178.00 179.16 2yqm h SER 65 N 0.00 -0.01 -2.62 1.44 0.02 -1.97 -3.46 113.55 106.95 2yqm h SER 65 Ca 0.00 -0.79 -0.55 0.00 -0.84 0.00 0.00 61.79 59.60 2yqm h SER 65 Cb 0.40 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.92 2yqm h SER 65 CO 0.00 0.81 -0.47 -0.31 -1.14 0.00 0.00 176.83 175.72 2yqm s TYR 66 N -2.84 3.49 0.12 3.45 2.02 -1.19 -5.03 117.35 117.37 2yqm s TYR 66 Ca -0.17 0.15 -0.13 0.00 -0.37 0.00 0.00 57.07 56.55 2yqm s TYR 66 Cb -0.01 -1.69 -0.06 0.00 -0.40 0.00 0.00 41.96 39.79 2yqm s TYR 66 CO 0.66 0.52 1.45 -1.00 -1.57 0.00 0.00 175.55 175.61 2yqm h PRO 67 N 2.28 0.83 -6.29 -1.71 0.13 -1.89 -3.39 132.00 121.96 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 0.01 -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 -0.04 0.86 -2.85 -1.26 -4.94 119.74 109.34 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 -0.05 0.00 -2.06 0.00 0.00 37.83 33.65 2yqm s LYS 68 CO 0.86 0.39 1.48 -1.25 0.10 0.00 0.00 175.35 176.93 2yqm s PRO 69 N -3.34 4.23 0.50 1.78 0.04 -1.26 -4.62 135.00 132.33 2yqm s PRO 69 Ca 0.29 2.02 0.08 0.00 0.04 0.00 0.00 61.00 63.43 2yqm s PRO 69 Cb -0.07 -3.74 0.08 0.00 0.04 0.00 0.00 34.50 30.81 2yqm s PRO 69 CO 0.18 -0.70 0.65 1.33 0.04 0.00 0.00 177.00 178.51 2yqm n VAL 70 N 5.05 0.00 -2.76 -0.36 0.24 -1.16 -4.69 118.33 114.65 2yqm n VAL 70 Ca 0.15 -1.68 -0.43 0.00 -2.04 0.00 0.00 64.34 60.34 2yqm n VAL 70 Cb 0.43 -0.53 -0.03 0.00 -1.47 0.00 0.00 33.84 32.24 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 -4.23 3.80 0.50 7.34 3.52 -1.26 -2.55 118.95 126.08 2yqm s ARG 71 Ca 0.50 0.57 0.03 0.00 -0.13 0.00 0.00 55.73 56.70 2yqm s ARG 71 Cb -0.04 -3.83 0.03 0.00 -1.56 0.00 0.00 34.95 29.55 2yqm s ARG 71 CO 0.32 -1.05 0.23 1.33 -0.81 0.00 0.00 175.30 175.32 2yqm n VAL 72 N 6.16 0.00 -3.85 7.11 0.24 -0.52 -4.31 118.33 123.17 2yqm n VAL 72 Ca 0.08 -2.13 -0.25 0.00 -2.04 0.00 0.00 64.34 60.00 2yqm n VAL 72 Cb 0.48 0.14 -0.03 0.00 -1.47 0.00 0.00 33.84 32.97 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 1.74 0.00 0.41 0.00 1.82 -1.79 0.25 116.42 118.85 2yqm h ASP 74 Ca -0.49 0.00 -0.05 0.00 -0.39 0.00 0.00 57.03 56.10 2yqm h ASP 74 Cb 1.20 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.21 2yqm h ASP 74 CO 0.66 0.00 -0.23 -1.28 -1.61 0.00 0.00 179.24 176.78 2yqm h SER 75 N 0.00 0.00 0.02 2.28 0.87 -1.94 -2.21 113.55 112.57 2yqm h SER 75 Ca 0.16 0.00 -0.39 0.00 -1.23 0.00 0.00 61.79 60.33 2yqm h SER 75 Cb 0.69 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.59 2yqm h SER 75 CO -0.00 0.23 -2.41 0.00 -0.53 0.00 0.00 176.83 174.12 2yqm h HIS 77 N -0.05 -0.78 -0.27 0.00 6.17 -0.64 0.20 115.15 119.77 2yqm h HIS 77 Ca -0.56 0.01 -0.07 0.00 0.71 0.00 0.00 60.37 60.46 2yqm h HIS 77 Cb 1.90 0.32 -0.01 0.00 2.52 0.00 0.00 27.41 32.14 2yqm h HIS 77 CO 0.03 -0.41 -0.09 1.15 0.71 0.00 0.00 177.93 179.32 2yqm h THR 78 N -0.56 1.29 -0.20 6.26 2.02 -1.63 -1.90 112.91 118.19 2yqm h THR 78 Ca 0.01 -1.14 0.05 0.00 0.77 0.00 0.00 66.41 66.10 2yqm h THR 78 Cb 0.55 1.47 -0.05 0.00 -1.74 0.00 0.00 68.15 68.38 2yqm h THR 78 CO -0.11 0.36 -0.11 0.25 0.37 0.00 0.00 175.52 176.28 2yqm h LEU 79 N 0.28 -0.36 -1.48 2.58 5.85 -1.56 0.12 115.31 120.75 2yqm h LEU 79 Ca 0.07 0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.82 2yqm h LEU 79 Cb 0.58 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 2yqm h LEU 79 CO 0.03 -0.14 -0.24 -0.07 -0.34 0.00 0.00 178.44 177.68 2yqm h LEU 80 N -0.09 0.04 -0.25 2.25 3.38 -0.60 -2.74 115.31 117.29 2yqm h LEU 80 Ca 0.11 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 2yqm h LEU 80 Cb 0.26 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 2yqm h LEU 80 CO -0.26 0.28 -0.24 -0.07 0.09 0.00 0.00 178.44 178.24 2yqm h LEU 81 N 0.03 0.64 -5.36 1.67 3.38 -0.35 -3.27 115.31 112.04 2yqm h LEU 81 Ca 0.00 -0.47 -0.73 0.00 0.09 0.00 0.00 57.88 56.77 2yqm h LEU 81 Cb 0.44 -0.18 -0.31 0.00 0.09 0.00 0.00 40.66 40.70 2yqm h LEU 81 CO 0.03 0.97 0.55 0.00 0.09 0.00 0.00 178.44 180.08 2yqm n GLN 82 N -4.36 3.79 0.00 1.13 6.02 0.28 -4.63 117.38 119.62 2yqm n GLN 82 Ca -0.04 -4.22 -0.11 0.00 -0.01 0.00 0.00 57.00 52.61 2yqm n GLN 82 Cb 0.43 -2.33 -0.14 0.00 1.02 0.00 0.00 30.24 29.23 2yqm n GLN 82 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 2yqm h ARG 83 N 3.32 0.06 -6.44 -1.09 0.11 -1.55 -3.44 114.38 105.34 2yqm h ARG 83 Ca 0.46 -0.11 -0.56 0.00 0.10 0.00 0.00 59.98 59.87 2yqm h ARG 83 Cb 0.32 0.04 -0.08 0.00 1.11 0.00 0.00 29.97 31.36 2yqm h ARG 83 CO 1.18 0.71 0.91 0.00 0.10 0.00 0.00 179.97 182.88 2yqm s SER 85 N 2.99 5.88 1.26 0.00 1.04 -1.26 -5.08 113.70 118.53 2yqm s SER 85 Ca 0.40 -2.00 -0.16 0.00 0.48 0.00 0.00 55.95 54.68 2yqm s SER 85 Cb -0.08 -2.06 0.32 0.00 0.10 0.00 0.00 66.02 64.29 2yqm s SER 85 CO 0.24 -0.71 0.99 -0.44 0.98 0.00 0.00 173.24 174.30 2yqm s SER 86 N 2.74 0.18 0.17 7.02 0.01 -1.26 -5.04 113.70 117.51 2yqm s SER 86 Ca 0.07 1.33 0.09 0.00 1.31 0.00 0.00 55.95 58.74 2yqm s SER 86 Cb -0.26 -2.03 -0.04 0.00 0.21 0.00 0.00 66.02 63.90 2yqm s SER 86 CO -0.01 -4.67 -0.11 0.28 0.41 0.00 0.00 173.24 169.14 2yqm s THR 87 N -2.36 3.12 -0.20 1.44 -1.32 -1.26 -5.13 115.64 109.93 2yqm s THR 87 Ca 0.69 -1.62 -0.08 0.00 -1.21 0.00 0.00 61.69 59.47 2yqm s THR 87 Cb -0.22 -2.52 0.08 0.00 -1.51 0.00 0.00 72.50 68.33 2yqm s THR 87 CO 0.64 -0.06 0.43 0.00 -2.21 0.00 0.00 174.62 173.41 2yqm s ALA 88 N -1.59 -1.18 -1.66 11.08 0.00 -1.26 -5.36 121.76 121.79 2yqm s ALA 88 Ca 0.23 1.56 0.00 0.00 0.00 0.00 0.00 51.96 53.76 2yqm s ALA 88 Cb -0.09 -1.25 0.00 0.00 0.00 0.00 0.00 23.12 21.78 2yqm s ALA 88 CO 0.14 -0.64 0.42 0.43 0.00 0.00 0.00 175.76 176.11