#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 0.15 -0.10 1.61 1.04 -1.26 -5.17 113.70 109.97 2yqm s SER 2 Ca 0.00 -1.01 -0.04 0.00 0.48 0.00 0.00 55.95 55.38 2yqm s SER 2 Cb 0.00 0.38 0.05 0.00 0.10 0.00 0.00 66.02 66.55 2yqm s SER 2 CO 0.00 -0.83 0.22 -0.44 0.98 0.00 0.00 173.24 173.17 2yqm s SER 3 N -3.00 0.09 0.00 7.02 0.01 -1.26 -5.12 113.70 111.45 2yqm s SER 3 Ca 0.20 0.46 0.00 0.00 1.31 0.00 0.00 55.95 57.93 2yqm s SER 3 Cb 0.05 0.41 0.00 0.00 0.21 0.00 0.00 66.02 66.69 2yqm s SER 3 CO 0.01 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.07 2yqm n GLY 4 N 4.69 -1.86 3.57 3.44 0.00 -1.26 -5.05 105.19 108.72 2yqm n GLY 4 Ca -0.17 -1.71 -0.09 0.00 0.00 0.00 0.00 46.02 44.04 2yqm n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yqm s SER 5 N -4.00 -0.09 -0.51 1.61 0.01 -1.26 -5.12 113.70 104.34 2yqm s SER 5 Ca 0.00 -0.92 -0.27 0.00 1.31 0.00 0.00 55.95 56.06 2yqm s SER 5 Cb 0.00 0.58 0.03 0.00 0.21 0.00 0.00 66.02 66.84 2yqm s SER 5 CO 0.00 -1.12 1.08 -0.44 0.41 0.00 0.00 173.24 173.17 2yqm s SER 6 N -3.01 6.52 1.21 2.44 0.01 -1.26 -5.02 113.70 114.59 2yqm s SER 6 Ca 0.22 0.20 -0.14 0.00 1.31 0.00 0.00 55.95 57.54 2yqm s SER 6 Cb -0.00 -2.52 0.29 0.00 0.21 0.00 0.00 66.02 64.00 2yqm s SER 6 CO 0.08 -1.27 0.89 0.61 0.41 0.00 0.00 173.24 173.97 2yqm n GLY 7 N 4.96 -2.31 2.96 3.44 0.00 -1.26 -4.95 105.19 108.03 2yqm n GLY 7 Ca 0.09 -1.20 -0.38 0.00 0.00 0.00 0.00 46.02 44.52 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 -5.06 3.99 -3.05 -0.61 -0.00 -1.26 -4.81 119.36 108.58 2yqm n ILE 8 Ca 0.02 -5.49 -0.01 0.00 -0.00 0.00 0.00 62.75 57.27 2yqm n ILE 8 Cb 0.55 -2.23 0.00 0.00 -0.00 0.00 0.00 39.64 37.96 2yqm n ILE 8 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.55 177.72 2yqm n LYS 9 N 1.67 -1.46 -4.13 0.38 3.00 -1.26 -5.00 118.16 111.36 2yqm n LYS 9 Ca 0.25 1.57 -0.34 0.00 -0.00 0.00 0.00 58.31 59.79 2yqm n LYS 9 Cb 0.37 -5.70 -0.11 0.00 0.00 0.00 0.00 35.03 29.59 2yqm n LYS 9 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 2yqm s GLU 10 N -2.98 3.85 -0.12 1.64 2.12 -1.26 -5.09 118.70 116.86 2yqm s GLU 10 Ca 0.03 -0.41 -0.13 0.00 0.36 0.00 0.00 54.97 54.82 2yqm s GLU 10 Cb -0.01 -3.11 -0.05 0.00 0.26 0.00 0.00 34.13 31.22 2yqm s GLU 10 CO 0.75 0.24 0.29 0.08 -0.54 0.00 0.00 175.26 176.09 2yqm s VAL 11 N 0.43 5.28 -0.41 3.70 1.01 -1.26 -5.04 120.40 124.11 2yqm s VAL 11 Ca 0.01 0.56 0.04 0.00 0.00 0.00 0.00 61.98 62.58 2yqm s VAL 11 Cb -0.13 -3.61 0.17 0.00 0.00 0.00 0.00 36.38 32.80 2yqm s VAL 11 CO 0.01 0.47 0.38 0.20 0.00 0.00 0.00 175.10 176.16 2yqm s ASN 12 N -0.12 1.22 -0.97 3.32 0.01 -1.26 -5.07 114.94 112.07 2yqm s ASN 12 Ca 0.18 -2.59 -0.15 0.00 -0.71 0.00 0.00 52.86 49.59 2yqm s ASN 12 Cb -0.14 0.00 0.18 0.00 0.41 0.00 0.00 41.25 41.71 2yqm s ASN 12 CO 0.06 -0.18 1.08 -1.58 -1.51 0.00 0.00 177.10 174.97 2yqm s GLN 13 N 0.48 3.76 -0.22 -0.60 2.00 -1.26 -4.78 119.66 119.04 2yqm s GLN 13 Ca 0.29 -2.28 0.11 0.00 -2.00 0.00 0.00 55.36 51.48 2yqm s GLN 13 Cb -0.03 -4.77 0.44 0.00 0.80 0.00 0.00 33.01 29.45 2yqm s GLN 13 CO -0.13 -1.57 1.20 0.00 -0.50 0.00 0.00 175.29 174.29 2yqm n ALA 14 N 5.21 3.95 -2.93 1.58 0.00 -1.26 -4.84 120.51 122.21 2yqm n ALA 14 Ca 0.23 -3.36 -0.31 0.00 0.00 0.00 0.00 53.44 50.00 2yqm n ALA 14 Cb 0.46 -0.39 -0.03 0.00 0.00 0.00 0.00 19.45 19.49 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 -0.84 5.22 0.00 0.00 4.77 -1.26 -5.04 117.00 119.84 2yqm n LEU 15 Ca 0.25 -5.56 -0.15 0.00 -0.03 0.00 0.00 56.01 50.52 2yqm n LEU 15 Cb 0.82 -0.76 0.06 0.00 -2.33 0.00 0.00 43.42 41.21 2yqm n LEU 15 CO 0.10 2.21 0.32 2.29 -1.33 0.00 0.00 177.39 180.98 2yqm n LYS 16 N 0.03 0.50 -3.66 3.23 2.85 -1.26 -5.12 118.16 114.73 2yqm n LYS 16 Ca 0.34 -2.25 -0.26 0.00 -1.05 0.00 0.00 58.31 55.10 2yqm n LYS 16 Cb 0.36 -0.28 -0.17 0.00 -0.65 0.00 0.00 35.03 34.28 2yqm n LYS 16 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 2yqm s GLY 17 N -4.13 0.44 0.07 2.58 0.00 -1.26 -5.14 107.32 99.89 2yqm s GLY 17 Ca 0.47 -0.34 0.10 0.00 0.00 0.00 0.00 44.72 44.95 2yqm s GLY 17 CO 0.30 1.56 -0.26 -2.38 0.00 0.00 0.00 173.10 172.33 2yqm s HIS 18 N 2.05 2.28 0.80 1.90 -3.43 -1.26 -5.14 115.29 112.48 2yqm s HIS 18 Ca 0.02 -0.40 -0.09 0.00 -0.80 0.00 0.00 55.06 53.79 2yqm s HIS 18 Cb -0.16 -1.32 0.11 0.00 -1.43 0.00 0.00 32.58 29.79 2yqm s HIS 18 CO -0.08 0.19 1.12 0.00 -2.00 0.00 0.00 174.74 173.98 2yqm s ALA 19 N -0.90 2.92 -0.04 -1.38 0.00 -1.26 -5.10 121.76 116.00 2yqm s ALA 19 Ca 0.12 -1.11 -0.01 0.00 0.00 0.00 0.00 51.96 50.96 2yqm s ALA 19 Cb -0.10 -2.60 0.03 0.00 0.00 0.00 0.00 23.12 20.45 2yqm s ALA 19 CO 0.03 -1.71 0.04 1.67 0.00 0.00 0.00 175.76 175.80 2yqm s TRP 20 N -3.46 0.19 -0.10 0.00 1.48 -1.26 -5.14 118.94 110.66 2yqm s TRP 20 Ca 0.65 0.14 0.03 0.00 -1.06 0.00 0.00 56.10 55.86 2yqm s TRP 20 Cb -0.08 -0.50 0.01 0.00 -1.16 0.00 0.00 33.47 31.74 2yqm s TRP 20 CO 0.48 -0.20 -0.18 -0.51 -4.06 0.00 0.00 176.95 172.48 2yqm s LEU 21 N 1.87 1.87 -0.60 -4.66 1.43 -1.26 -5.02 118.68 112.31 2yqm s LEU 21 Ca 0.02 -0.45 -0.00 0.00 -1.03 0.00 0.00 54.13 52.66 2yqm s LEU 21 Cb -0.12 -1.16 0.45 0.00 0.03 0.00 0.00 46.19 45.39 2yqm s LEU 21 CO -0.03 0.08 1.87 1.17 0.23 0.00 0.00 176.35 179.67 2yqm n LYS 22 N 3.82 2.87 -1.84 1.70 4.81 -1.26 -4.73 118.16 123.54 2yqm n LYS 22 Ca -0.20 -3.47 -0.36 0.00 -0.87 0.00 0.00 58.31 53.41 2yqm n LYS 22 Cb 0.52 -2.29 0.00 0.00 0.02 0.00 0.00 35.03 33.29 2yqm n LYS 22 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2yqm n ASP 23 N -0.87 7.20 -2.83 3.14 -0.08 -1.26 -4.67 116.55 117.17 2yqm n ASP 23 Ca 0.59 -3.59 0.02 0.00 -1.51 0.00 0.00 54.79 50.29 2yqm n ASP 23 Cb 0.71 -1.14 0.00 0.00 2.34 0.00 0.00 41.12 43.03 2yqm n ASP 23 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2yqm s ASP 24 N -0.57 -0.51 -0.16 1.67 2.15 -1.26 -5.07 116.67 112.92 2yqm s ASP 24 Ca 0.53 -0.26 -0.13 0.00 0.43 0.00 0.00 52.55 53.13 2yqm s ASP 24 Cb 0.39 0.65 -0.05 0.00 -0.30 0.00 0.00 42.92 43.61 2yqm s ASP 24 CO -0.32 -0.06 -0.22 -0.62 -0.17 0.00 0.00 175.17 173.79 2yqm n GLU 25 N 3.79 0.49 -3.18 4.34 4.71 -1.26 -5.03 120.64 124.50 2yqm n GLU 25 Ca 0.06 0.42 0.05 0.00 -0.01 0.00 0.00 57.16 57.68 2yqm n GLU 25 Cb 0.62 -1.61 -0.02 0.00 -1.01 0.00 0.00 31.44 29.42 2yqm n GLU 25 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2yqm s ALA 26 N -2.76 -3.48 -0.13 0.62 0.00 -1.26 -5.04 121.76 109.70 2yqm s ALA 26 Ca -0.21 1.50 0.16 0.00 0.00 0.00 0.00 51.96 53.41 2yqm s ALA 26 Cb 0.03 -2.46 -0.24 0.00 0.00 0.00 0.00 23.12 20.45 2yqm s ALA 26 CO 0.32 -1.34 0.34 2.41 0.00 0.00 0.00 175.76 177.49 2yqm n THR 27 N 5.28 1.44 -4.25 0.00 -1.04 -1.26 -4.99 114.28 109.46 2yqm n THR 27 Ca -0.08 -0.82 -0.14 0.00 -2.04 0.00 0.00 64.05 60.97 2yqm n THR 27 Cb 0.54 -0.69 -0.10 0.00 -1.82 0.00 0.00 70.33 68.26 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 -2.57 1.27 0.90 -1.42 3.76 -1.26 -4.26 115.29 111.71 2yqm s HIS 28 Ca -0.08 -0.94 -0.12 0.00 -0.15 0.00 0.00 55.06 53.78 2yqm s HIS 28 Cb 0.07 -0.71 0.10 0.00 1.11 0.00 0.00 32.58 33.15 2yqm s HIS 28 CO 0.83 -0.11 0.91 0.00 -0.85 0.00 0.00 174.74 175.52 2yqm n ARG 30 N -3.22 2.82 0.09 0.00 3.00 -1.22 -3.97 116.66 114.16 2yqm n ARG 30 Ca 0.11 -3.06 0.00 0.00 -0.00 0.00 0.00 57.85 54.89 2yqm n ARG 30 Cb 0.52 -2.04 0.00 0.00 0.00 0.00 0.00 32.46 30.94 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 -0.66 0.00 0.17 -0.14 7.27 -1.26 -4.92 117.38 117.84 2yqm n GLN 31 Ca 0.39 0.00 0.05 0.00 0.07 0.00 0.00 57.00 57.51 2yqm n GLN 31 Cb 1.27 0.00 0.16 0.00 2.41 0.00 0.00 30.24 34.08 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 -3.28 -3.92 -4.76 0.00 1.02 -1.25 -5.02 120.64 103.43 2yqm n GLU 33 Ca 0.01 0.86 -0.26 0.00 -0.02 0.00 0.00 57.16 57.76 2yqm n GLU 33 Cb 0.63 -5.85 -0.16 0.00 -0.02 0.00 0.00 31.44 26.04 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 -4.76 1.94 -0.10 3.49 1.02 -1.26 -4.88 119.74 115.18 2yqm s LYS 34 Ca 0.28 -0.54 -0.36 0.00 0.02 0.00 0.00 55.97 55.37 2yqm s LYS 34 Cb -0.04 -1.59 -0.14 0.00 -0.52 0.00 0.00 37.83 35.55 2yqm s LYS 34 CO 0.74 0.11 1.76 -1.91 -0.92 0.00 0.00 175.35 175.13 2yqm n GLU 35 N 3.57 1.78 -1.77 1.68 2.13 -1.26 -3.74 120.64 123.03 2yqm n GLU 35 Ca -0.21 0.65 -0.41 0.00 0.66 0.00 0.00 57.16 57.85 2yqm n GLU 35 Cb 0.52 -2.42 -0.01 0.00 0.27 0.00 0.00 31.44 29.80 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 3.24 2.72 0.28 4.31 0.08 -1.26 -5.01 117.98 122.34 2yqm s PHE 36 Ca 0.92 0.83 0.11 0.00 0.12 0.00 0.00 56.93 58.92 2yqm s PHE 36 Cb -0.83 -4.07 -0.05 0.00 -0.57 0.00 0.00 43.02 37.50 2yqm s PHE 36 CO 0.54 -3.54 -0.19 -1.12 -0.10 0.00 0.00 175.22 170.82 2yqm s SER 37 N 0.40 3.54 0.20 1.36 0.01 -1.23 -5.01 113.70 112.97 2yqm s SER 37 Ca 0.62 -1.05 -0.11 0.00 1.31 0.00 0.00 55.95 56.72 2yqm s SER 37 Cb -0.48 -0.29 0.25 0.00 0.21 0.00 0.00 66.02 65.71 2yqm s SER 37 CO 0.50 0.00 1.70 0.40 0.41 0.00 0.00 173.24 176.25 2yqm h ILE 38 N 2.26 0.64 0.00 1.44 5.03 -2.00 0.91 117.51 125.80 2yqm h ILE 38 Ca -0.40 -0.07 -0.04 0.00 -0.12 0.00 0.00 64.86 64.23 2yqm h ILE 38 Cb 1.26 0.41 -0.01 0.00 -3.03 0.00 0.00 36.82 35.45 2yqm h ILE 38 CO 0.61 0.04 -0.18 0.77 -0.68 0.00 0.00 178.15 178.71 2yqm h SER 39 N 0.21 0.00 -3.43 1.72 4.64 -2.02 -3.30 113.55 111.37 2yqm h SER 39 Ca 0.29 0.00 -0.73 0.00 -0.47 0.00 0.00 61.79 60.88 2yqm h SER 39 Cb 0.43 0.00 -0.34 0.00 -0.31 0.00 0.00 62.40 62.18 2yqm h SER 39 CO -0.40 0.18 0.01 -0.60 -0.87 0.00 0.00 176.83 175.16 2yqm s ARG 40 N -4.61 3.45 0.96 4.77 3.52 0.31 -5.07 118.95 122.29 2yqm s ARG 40 Ca -0.04 -3.22 -0.11 0.00 -0.13 0.00 0.00 55.73 52.23 2yqm s ARG 40 Cb 0.16 -4.08 0.17 0.00 -1.56 0.00 0.00 34.95 29.63 2yqm s ARG 40 CO 0.69 -1.26 1.09 1.03 -0.81 0.00 0.00 175.30 176.05 2yqm s ARG 41 N -1.25 0.69 0.47 5.12 1.81 -1.23 -3.55 118.95 121.02 2yqm s ARG 41 Ca 0.27 1.12 -0.17 0.00 -1.72 0.00 0.00 55.73 55.24 2yqm s ARG 41 Cb -0.08 -1.72 -0.08 0.00 -0.45 0.00 0.00 34.95 32.61 2yqm s ARG 41 CO -0.11 -2.71 0.94 0.15 -0.68 0.00 0.00 175.30 172.88 2yqm s LYS 42 N -4.71 3.99 -0.07 3.54 1.02 -1.26 -4.00 119.74 118.25 2yqm s LYS 42 Ca 0.66 0.91 -0.02 0.00 0.02 0.00 0.00 55.97 57.54 2yqm s LYS 42 Cb -0.21 -2.19 0.03 0.00 -0.52 0.00 0.00 37.83 34.94 2yqm s LYS 42 CO 0.59 -0.17 0.05 -1.01 -0.92 0.00 0.00 175.35 173.90 2yqm s HIS 43 N -2.47 0.21 0.14 3.18 3.76 0.60 -4.96 115.29 115.75 2yqm s HIS 43 Ca 0.58 0.08 -0.18 0.00 -0.15 0.00 0.00 55.06 55.39 2yqm s HIS 43 Cb -0.10 -0.58 -0.07 0.00 1.11 0.00 0.00 32.58 32.94 2yqm s HIS 43 CO 0.27 -0.27 0.62 -1.01 -0.85 0.00 0.00 174.74 173.50 2yqm s HIS 44 N 2.12 3.72 0.29 1.40 3.76 -1.26 -1.86 115.29 123.46 2yqm s HIS 44 Ca 0.04 1.27 -0.24 0.00 -0.15 0.00 0.00 55.06 55.98 2yqm s HIS 44 Cb -0.13 -2.51 -0.09 0.00 1.11 0.00 0.00 32.58 30.96 2yqm s HIS 44 CO -0.04 0.47 0.87 0.00 -0.85 0.00 0.00 174.74 175.19 2yqm n ARG 46 N 0.65 4.71 0.01 0.00 3.00 -1.26 -3.53 116.66 120.25 2yqm n ARG 46 Ca 0.00 -3.10 0.00 0.00 -0.01 0.00 0.00 57.85 54.74 2yqm n ARG 46 Cb 0.50 -2.21 0.00 0.00 0.00 0.00 0.00 32.46 30.75 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 0.71 0.08 0.06 0.55 5.15 -1.26 -4.89 115.26 115.67 2yqm n ASN 47 Ca 0.27 0.04 -0.03 0.00 -0.60 0.00 0.00 54.58 54.27 2yqm n ASN 47 Cb 1.15 -0.00 -0.08 0.00 -0.53 0.00 0.00 39.78 40.32 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 1.36 -0.59 3.27 0.00 0.00 -1.23 -5.05 105.19 102.95 2yqm n GLY 49 Ca -0.04 0.01 -0.16 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 -2.85 1.43 -0.38 1.61 3.76 -1.26 -4.90 115.29 112.69 2yqm s HIS 50 Ca 0.01 -1.40 -0.16 0.00 -0.15 0.00 0.00 55.06 53.36 2yqm s HIS 50 Cb -0.00 -0.71 0.00 0.00 1.11 0.00 0.00 32.58 32.98 2yqm s HIS 50 CO 0.21 -0.60 0.36 0.42 -0.85 0.00 0.00 174.74 174.27 2yqm s ILE 51 N -3.84 5.17 0.05 0.60 -1.09 -1.26 -2.55 121.20 118.29 2yqm s ILE 51 Ca 0.38 -0.23 0.03 0.00 -2.23 0.00 0.00 60.65 58.60 2yqm s ILE 51 Cb 0.06 -3.90 -0.03 0.00 -1.58 0.00 0.00 42.46 37.02 2yqm s ILE 51 CO 0.16 -0.22 -0.09 -0.36 -1.23 0.00 0.00 174.94 173.20 2yqm s PHE 52 N 1.96 0.79 0.71 3.97 0.08 -0.77 -3.43 117.98 121.28 2yqm s PHE 52 Ca 0.10 -0.51 -0.04 0.00 0.12 0.00 0.00 56.93 56.60 2yqm s PHE 52 Cb -0.17 -0.46 0.10 0.00 -0.57 0.00 0.00 43.02 41.91 2yqm s PHE 52 CO 0.12 -0.06 0.99 0.00 -0.10 0.00 0.00 175.22 176.17 2yqm h ASN 54 N -0.56 0.28 0.35 0.00 -1.24 -1.89 0.25 115.58 112.76 2yqm h ASN 54 Ca -0.41 0.10 -0.03 0.00 0.71 0.00 0.00 56.30 56.67 2yqm h ASN 54 Cb 1.28 0.07 -0.00 0.00 0.73 0.00 0.00 38.32 40.40 2yqm h ASN 54 CO 0.48 0.13 -0.12 0.74 -1.29 0.00 0.00 177.43 177.37 2yqm h THR 55 N 0.45 0.61 -0.65 -3.57 2.02 -1.94 -1.94 112.91 107.89 2yqm h THR 55 Ca 0.38 -0.53 -0.32 0.00 0.77 0.00 0.00 66.41 66.71 2yqm h THR 55 Cb 0.53 1.34 -0.19 0.00 -1.74 0.00 0.00 68.15 68.09 2yqm h THR 55 CO -0.36 0.12 0.26 0.00 0.37 0.00 0.00 175.52 175.91 2yqm n SER 57 N -1.03 -0.87 -2.18 0.00 3.41 -0.58 -3.83 113.62 108.54 2yqm n SER 57 Ca 0.45 -1.70 -0.28 0.00 -0.26 0.00 0.00 58.87 57.07 2yqm n SER 57 Cb 1.33 0.40 0.09 0.00 -0.26 0.00 0.00 64.21 65.77 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 -0.89 6.56 -3.99 4.04 2.88 -0.94 -4.60 113.62 116.69 2yqm n SER 58 Ca -0.11 -3.55 -0.09 0.00 -1.33 0.00 0.00 58.87 53.78 2yqm n SER 58 Cb 0.72 -0.95 -0.11 0.00 -0.75 0.00 0.00 64.21 63.11 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 -1.24 0.26 0.03 -3.46 0.01 -1.26 -5.08 114.94 104.21 2yqm s ASN 59 Ca 0.55 -0.52 0.06 0.00 -0.71 0.00 0.00 52.86 52.24 2yqm s ASN 59 Cb 0.43 0.10 -0.02 0.00 0.41 0.00 0.00 41.25 42.18 2yqm s ASN 59 CO 0.01 -0.31 -0.18 -1.61 -1.51 0.00 0.00 177.10 173.51 2yqm s GLU 60 N -1.55 1.23 -0.07 -0.60 2.02 -1.26 -1.34 118.70 117.13 2yqm s GLU 60 Ca -0.15 -0.83 -0.07 0.00 0.02 0.00 0.00 54.97 53.94 2yqm s GLU 60 Cb -0.09 -1.29 0.02 0.00 0.10 0.00 0.00 34.13 32.87 2yqm s GLU 60 CO -0.01 0.33 0.20 -1.17 0.02 0.00 0.00 175.26 174.63 2yqm s LEU 61 N -1.04 1.24 -0.63 1.80 2.96 -1.10 -4.95 118.68 116.96 2yqm s LEU 61 Ca 0.05 0.36 -0.26 0.00 -0.22 0.00 0.00 54.13 54.07 2yqm s LEU 61 Cb -0.08 0.70 0.04 0.00 0.50 0.00 0.00 46.19 47.35 2yqm s LEU 61 CO 0.01 -0.10 1.12 0.00 -1.32 0.00 0.00 176.35 176.07 2yqm s ALA 62 N -0.01 2.98 0.41 5.97 0.00 -1.26 -3.04 121.76 126.80 2yqm s ALA 62 Ca -0.01 -1.25 -0.03 0.00 0.00 0.00 0.00 51.96 50.67 2yqm s ALA 62 Cb -0.02 -4.00 -0.04 0.00 0.00 0.00 0.00 23.12 19.06 2yqm s ALA 62 CO 0.00 -2.80 0.67 -0.51 0.00 0.00 0.00 175.76 173.12 2yqm s LEU 63 N 4.81 3.83 0.35 0.00 1.43 -1.26 -4.95 118.68 122.89 2yqm s LEU 63 Ca 0.34 0.74 0.27 0.00 -1.03 0.00 0.00 54.13 54.46 2yqm s LEU 63 Cb -0.10 -3.65 1.12 0.00 0.03 0.00 0.00 46.19 43.59 2yqm s LEU 63 CO 0.18 -0.42 1.80 1.55 0.23 0.00 0.00 176.35 179.69 2yqm h PRO 64 N 0.64 0.00 0.00 1.29 0.13 -1.98 -3.15 132.00 128.93 2yqm h PRO 64 Ca -0.48 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.65 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 -3.46 113.55 106.96 2yqm h SER 65 Ca 0.00 -0.81 -0.55 0.00 -0.84 0.00 0.00 61.79 59.58 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 0.82 -0.47 -0.31 -1.14 0.00 0.00 176.83 175.73 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 -0.18 0.14 -0.13 0.00 -0.37 0.00 0.00 57.07 56.54 2yqm s TYR 66 Cb -0.01 -1.68 -0.06 0.00 -0.40 0.00 0.00 41.96 39.80 2yqm s TYR 66 CO 0.67 0.53 1.45 -1.00 -1.57 0.00 0.00 175.55 175.63 2yqm h PRO 67 N 2.30 0.84 -6.29 -1.71 0.13 -1.89 -3.39 132.00 121.98 2yqm h PRO 67 Ca -0.48 -0.44 -0.59 0.00 -0.87 0.00 0.00 66.00 63.62 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 -0.05 0.86 -2.85 -1.26 -4.94 119.74 109.32 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 33.66 2yqm s LYS 68 CO 0.86 0.39 1.49 -1.25 0.10 0.00 0.00 175.35 176.94 2yqm s PRO 69 N -3.33 4.23 0.52 1.78 0.04 -1.26 -4.62 135.00 132.35 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 -3.78 0.08 0.00 0.04 0.00 0.00 34.50 30.77 2yqm s PRO 69 CO 0.18 -0.72 0.68 1.33 0.04 0.00 0.00 177.00 178.51 2yqm n VAL 70 N 5.14 0.00 -2.71 -0.36 0.24 -1.17 -4.69 118.33 114.78 2yqm n VAL 70 Ca 0.15 -1.76 -0.43 0.00 -2.04 0.00 0.00 64.34 60.26 2yqm n VAL 70 Cb 0.43 -0.51 -0.03 0.00 -1.47 0.00 0.00 33.84 32.26 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 -4.33 3.93 0.54 7.34 3.52 -1.26 -2.71 118.95 125.98 2yqm s ARG 71 Ca 0.52 0.79 0.02 0.00 -0.13 0.00 0.00 55.73 56.93 2yqm s ARG 71 Cb -0.04 -3.78 0.02 0.00 -1.56 0.00 0.00 34.95 29.59 2yqm s ARG 71 CO 0.33 -0.97 0.18 0.14 -0.81 0.00 0.00 175.30 174.17 2yqm s VAL 72 N 3.65 1.21 0.27 7.11 -7.23 -0.45 -4.24 120.40 120.73 2yqm s VAL 72 Ca 0.42 -1.79 0.04 0.00 -1.81 0.00 0.00 61.98 58.84 2yqm s VAL 72 Cb -0.11 -2.00 -0.03 0.00 0.56 0.00 0.00 36.38 34.79 2yqm s VAL 72 CO 0.19 0.00 0.42 0.00 -0.31 0.00 0.00 175.10 175.39 2yqm h ASP 74 N 1.06 0.00 0.41 0.00 1.82 -1.95 0.17 116.42 117.93 2yqm h ASP 74 Ca -0.51 0.00 -0.05 0.00 -0.39 0.00 0.00 57.03 56.08 2yqm h ASP 74 Cb 1.23 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.23 2yqm h ASP 74 CO 0.61 0.00 -0.23 -1.28 -1.61 0.00 0.00 179.24 176.74 2yqm h SER 75 N 0.00 0.00 0.01 2.28 0.87 -1.94 -1.98 113.55 112.79 2yqm h SER 75 Ca 0.02 0.00 -0.41 0.00 -1.23 0.00 0.00 61.79 60.17 2yqm h SER 75 Cb 0.09 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 61.99 2yqm h SER 75 CO -0.00 0.23 -2.37 0.00 -0.53 0.00 0.00 176.83 174.16 2yqm h HIS 77 N -0.50 -0.41 -0.29 0.00 6.17 -0.78 0.15 115.15 119.49 2yqm h HIS 77 Ca -0.60 0.02 -0.03 0.00 0.71 0.00 0.00 60.37 60.48 2yqm h HIS 77 Cb 1.74 0.20 -0.01 0.00 2.52 0.00 0.00 27.41 31.86 2yqm h HIS 77 CO -0.01 -0.23 0.08 1.15 0.71 0.00 0.00 177.93 179.63 2yqm h THR 78 N -0.19 1.21 0.51 6.26 2.02 -1.59 -0.84 112.91 120.28 2yqm h THR 78 Ca 0.10 -0.69 -0.02 0.00 0.77 0.00 0.00 66.41 66.57 2yqm h THR 78 Cb 0.34 1.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.85 2yqm h THR 78 CO -0.26 0.23 -0.40 0.25 0.37 0.00 0.00 175.52 175.72 2yqm h LEU 79 N 0.31 -1.05 -0.73 2.58 5.85 -1.54 -1.10 115.31 119.62 2yqm h LEU 79 Ca 0.09 0.07 0.11 0.00 0.84 0.00 0.00 57.88 58.99 2yqm h LEU 79 Cb 0.27 0.33 -0.08 0.00 0.37 0.00 0.00 40.66 41.55 2yqm h LEU 79 CO -0.00 -0.56 0.35 -0.07 -0.34 0.00 0.00 178.44 177.81 2yqm h LEU 80 N -0.87 0.42 -0.12 2.25 3.38 -0.76 0.22 115.31 119.83 2yqm h LEU 80 Ca -0.07 0.07 0.05 0.00 0.09 0.00 0.00 57.88 58.02 2yqm h LEU 80 Cb 0.73 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.43 2yqm h LEU 80 CO 0.01 0.22 -0.26 -0.07 0.09 0.00 0.00 178.44 178.43 2yqm h LEU 81 N 0.56 -0.80 0.00 1.67 3.38 -0.89 -3.31 115.31 115.92 2yqm h LEU 81 Ca 0.37 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.47 2yqm h LEU 81 Cb 0.45 0.35 0.00 0.00 0.09 0.00 0.00 40.66 41.55 2yqm h LEU 81 CO -0.31 -0.31 0.00 0.00 0.09 0.00 0.00 178.44 177.91 2yqm n GLN 82 N -5.38 0.00 -3.29 1.13 6.02 -0.44 -4.99 117.38 110.43 2yqm n GLN 82 Ca -0.03 0.30 -0.11 0.00 -0.01 0.00 0.00 57.00 57.15 2yqm n GLN 82 Cb 0.29 -0.96 0.00 0.00 1.02 0.00 0.00 30.24 30.59 2yqm n GLN 82 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 2yqm n ARG 83 N -1.40 -1.55 -1.96 -1.09 0.63 0.72 -4.96 116.66 107.04 2yqm n ARG 83 Ca 0.00 1.34 -0.03 0.00 -0.92 0.00 0.00 57.85 58.24 2yqm n ARG 83 Cb 0.00 -4.43 0.04 0.00 0.45 0.00 0.00 32.46 28.51 2yqm n ARG 83 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2yqm n SER 85 N -0.69 -4.44 0.03 0.00 7.64 -1.26 -4.92 113.62 109.98 2yqm n SER 85 Ca -0.17 -0.60 -0.19 0.00 1.01 0.00 0.00 58.87 58.92 2yqm n SER 85 Cb 0.83 -4.94 -0.12 0.00 -1.01 0.00 0.00 64.21 58.97 2yqm n SER 85 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2yqm h SER 86 N -2.33 0.61 -3.16 6.43 0.87 -1.98 -3.47 113.55 110.51 2yqm h SER 86 Ca -0.58 -0.81 0.05 0.00 -1.23 0.00 0.00 61.79 59.23 2yqm h SER 86 Cb 1.36 -0.19 -0.25 0.00 -0.44 0.00 0.00 62.40 62.88 2yqm h SER 86 CO 0.55 1.34 0.37 0.42 -0.53 0.00 0.00 176.83 178.98 2yqm s THR 87 N -3.03 0.00 0.80 2.23 -4.23 -1.26 -5.16 115.64 104.99 2yqm s THR 87 Ca -0.12 0.00 -0.14 0.00 -1.18 0.00 0.00 61.69 60.25 2yqm s THR 87 Cb 0.04 -1.00 0.05 0.00 1.34 0.00 0.00 72.50 72.92 2yqm s THR 87 CO 0.85 0.00 0.99 0.00 -0.54 0.00 0.00 174.62 175.91 2yqm n ALA 88 N 2.70 -0.54 0.81 3.99 0.00 -1.26 -5.11 120.51 121.10 2yqm n ALA 88 Ca -0.14 -0.32 0.10 0.00 0.00 0.00 0.00 53.44 53.07 2yqm n ALA 88 Cb 0.56 -2.12 0.08 0.00 0.00 0.00 0.00 19.45 17.97 2yqm n ALA 88 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93