#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cxc s TRP 2 N 0.00 3.69 0.20 0.66 1.48 -1.26 -5.07 118.94 118.64 3cxc s TRP 2 Ca 0.00 1.32 -0.12 0.00 -1.06 0.00 0.00 56.10 56.24 3cxc s TRP 2 Cb 0.00 -2.56 -0.07 0.00 -1.16 0.00 0.00 33.47 29.68 3cxc s TRP 2 CO 0.00 0.42 0.55 -0.51 -4.06 0.00 0.00 176.95 173.35 3cxc s ASP 3 N -1.52 6.71 -0.04 -2.66 1.01 -1.26 -5.03 116.67 113.88 3cxc s ASP 3 Ca 0.39 0.99 -0.22 0.00 0.71 0.00 0.00 52.55 54.42 3cxc s ASP 3 Cb -0.17 -2.26 -0.17 0.00 1.01 0.00 0.00 42.92 41.34 3cxc s ASP 3 CO 0.21 -0.00 0.98 0.58 0.21 0.00 0.00 175.17 177.15 3cxc h VAL 4 N 2.34 0.89 -3.35 -1.27 2.07 -1.97 -3.40 116.25 111.57 3cxc h VAL 4 Ca -0.48 -1.05 -0.57 0.00 0.82 0.00 0.00 66.70 65.42 3cxc h VAL 4 Cb 1.18 1.46 -0.07 0.00 -1.52 0.00 0.00 31.29 32.34 3cxc h VAL 4 CO 0.68 0.21 0.21 -0.63 0.02 0.00 0.00 177.57 178.06 3cxc s ILE 5 N -3.72 4.98 -0.20 4.57 1.01 -1.26 -1.67 121.20 124.90 3cxc s ILE 5 Ca -0.13 1.47 -0.19 0.00 0.00 0.00 0.00 60.65 61.80 3cxc s ILE 5 Cb 0.01 -4.06 -0.16 0.00 0.01 0.00 0.00 42.46 38.25 3cxc s ILE 5 CO 0.51 0.14 0.11 0.29 0.00 0.00 0.00 174.94 175.99 3cxc n LYS 6 N 4.57 0.55 0.00 2.79 5.02 0.34 -4.94 118.16 126.49 3cxc n LYS 6 Ca 0.01 0.55 0.00 0.00 -2.02 0.00 0.00 58.31 56.85 3cxc n LYS 6 Cb 0.50 -1.72 0.00 0.00 -0.02 0.00 0.00 35.03 33.79 3cxc n LYS 6 CO 0.00 0.00 0.00 -2.39 -0.52 0.00 0.00 177.40 174.49 3cxc n HIS 7 N -4.45 0.00 -2.27 2.13 1.44 -1.00 -5.00 115.22 106.07 3cxc n HIS 7 Ca -0.30 0.00 -0.41 0.00 -2.01 0.00 0.00 57.72 55.00 3cxc n HIS 7 Cb 0.64 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.72 3cxc n HIS 7 CO 0.00 0.00 0.00 -2.14 -2.81 0.00 0.00 176.34 171.39 3cxc s PRO 8 N -2.00 4.44 -0.60 -1.40 0.02 -1.26 -0.50 135.00 133.71 3cxc s PRO 8 Ca 0.00 2.02 -0.20 0.00 0.02 0.00 0.00 61.00 62.83 3cxc s PRO 8 Cb 0.00 -3.17 0.08 0.00 0.02 0.00 0.00 34.50 31.43 3cxc s PRO 8 CO 0.00 -0.13 0.79 -1.58 -0.33 0.00 0.00 177.00 175.75 3cxc s HIS 9 N -0.43 2.89 -0.40 6.54 2.46 -0.60 -4.77 115.29 120.98 3cxc s HIS 9 Ca 0.52 -0.69 -0.11 0.00 0.47 0.00 0.00 55.06 55.26 3cxc s HIS 9 Cb -0.36 -4.02 0.06 0.00 -0.13 0.00 0.00 32.58 28.12 3cxc s HIS 9 CO 0.42 -1.37 0.25 0.54 -2.47 0.00 0.00 174.74 172.11 3cxc s VAL 10 N 3.20 4.46 0.11 0.89 0.11 -1.26 -4.61 120.40 123.31 3cxc s VAL 10 Ca 0.17 -1.13 -0.07 0.00 -2.93 0.00 0.00 61.98 58.01 3cxc s VAL 10 Cb -0.20 -3.62 -0.01 0.00 -1.53 0.00 0.00 36.38 31.02 3cxc s VAL 10 CO 0.09 -0.39 0.19 0.42 -3.33 0.00 0.00 175.10 172.08 3cxc s THR 11 N 1.50 0.12 0.28 5.04 -4.23 -1.26 -4.98 115.64 112.10 3cxc s THR 11 Ca 0.02 -1.38 -0.00 0.00 -1.18 0.00 0.00 61.69 59.15 3cxc s THR 11 Cb -0.21 -1.59 0.30 0.00 1.34 0.00 0.00 72.50 72.33 3cxc s THR 11 CO 0.04 -0.55 1.65 -0.33 -0.54 0.00 0.00 174.62 174.90 3cxc h GLU 12 N 2.73 0.20 -0.26 3.99 3.07 -1.99 0.58 114.58 122.90 3cxc h GLU 12 Ca -0.33 -0.01 -0.11 0.00 -0.50 0.00 0.00 59.36 58.41 3cxc h GLU 12 Cb 1.20 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 29.05 3cxc h GLU 12 CO 0.55 0.13 -0.29 -0.22 -1.40 0.00 0.00 179.01 177.79 3cxc h LYS 13 N 0.21 0.52 0.00 2.33 3.64 -1.99 -1.72 116.57 119.57 3cxc h LYS 13 Ca 0.51 -0.21 -0.07 0.00 -1.27 0.00 0.00 60.65 59.60 3cxc h LYS 13 Cb 0.99 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.78 3cxc h LYS 13 CO -0.63 0.76 -0.34 0.00 -2.27 0.00 0.00 179.45 176.96 3cxc h ALA 14 N 1.24 1.42 0.09 5.00 0.00 -0.30 -2.81 119.26 123.90 3cxc h ALA 14 Ca 0.06 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 3cxc h ALA 14 Cb 0.73 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3cxc h ALA 14 CO 0.06 0.43 -0.04 0.52 0.00 0.00 0.00 179.25 180.21 3cxc h MET 15 N 0.00 -0.12 -0.46 0.00 2.86 0.01 -2.84 114.93 114.38 3cxc h MET 15 Ca -0.00 0.01 0.09 0.00 -2.06 0.00 0.00 59.70 57.74 3cxc h MET 15 Cb 0.61 0.03 -0.10 0.00 0.06 0.00 0.00 31.60 32.20 3cxc h MET 15 CO 0.04 0.30 -0.19 -0.91 1.06 0.00 0.00 176.91 177.21 3cxc h ASN 16 N -0.57 -0.67 -0.66 1.22 2.35 -1.21 0.37 115.58 116.41 3cxc h ASN 16 Ca -0.01 0.16 0.04 0.00 -0.55 0.00 0.00 56.30 55.94 3cxc h ASN 16 Cb 0.47 0.38 -0.04 0.00 0.05 0.00 0.00 38.32 39.18 3cxc h ASN 16 CO 0.02 -0.22 0.44 0.44 -1.65 0.00 0.00 177.43 176.45 3cxc h ASP 17 N -0.09 0.66 0.31 5.81 5.19 -1.55 0.32 116.42 127.07 3cxc h ASP 17 Ca 0.22 -0.01 -0.25 0.00 -0.62 0.00 0.00 57.03 56.38 3cxc h ASP 17 Cb 0.43 -0.15 0.01 0.00 0.18 0.00 0.00 39.33 39.80 3cxc h ASP 17 CO -0.53 0.45 -1.05 -0.03 -3.12 0.00 0.00 179.24 174.97 3cxc h MET 18 N 0.77 0.46 0.18 3.56 1.85 -0.81 0.19 114.93 121.13 3cxc h MET 18 Ca 0.27 -0.55 -0.24 0.00 -0.61 0.00 0.00 59.70 58.57 3cxc h MET 18 Cb 0.10 0.17 0.03 0.00 0.43 0.00 0.00 31.60 32.33 3cxc h MET 18 CO -0.08 1.19 -1.07 -0.44 -0.40 0.00 0.00 176.91 176.12 3cxc h ASP 19 N 0.23 0.60 0.27 1.39 3.32 0.11 -3.19 116.42 119.16 3cxc h ASP 19 Ca -0.11 -0.94 -0.04 0.00 0.02 0.00 0.00 57.03 55.95 3cxc h ASP 19 Cb 1.71 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 41.05 3cxc h ASP 19 CO 0.19 1.51 -1.77 0.49 -1.72 0.00 0.00 179.24 177.94 3cxc n PHE 20 N -3.98 0.28 -0.06 4.55 0.99 0.11 -4.61 117.46 114.75 3cxc n PHE 20 Ca -0.15 0.08 0.00 0.00 -0.00 0.00 0.00 57.45 57.38 3cxc n PHE 20 Cb 0.93 -0.68 0.00 0.00 -1.00 0.00 0.00 39.48 38.72 3cxc n PHE 20 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 3cxc n GLN 21 N -2.44 0.21 -3.34 -1.08 6.02 0.47 -5.01 117.38 112.21 3cxc n GLN 21 Ca -0.06 -0.40 -0.16 0.00 -0.01 0.00 0.00 57.00 56.37 3cxc n GLN 21 Cb 0.63 -0.89 0.08 0.00 1.02 0.00 0.00 30.24 31.09 3cxc n GLN 21 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 3cxc n ASN 22 N -0.14 -2.86 -4.11 1.08 5.15 -0.06 -4.83 115.26 109.49 3cxc n ASN 22 Ca 0.00 -0.61 -0.25 0.00 -0.60 0.00 0.00 54.58 53.11 3cxc n ASN 22 Cb 0.01 -4.96 -0.16 0.00 -0.53 0.00 0.00 39.78 34.14 3cxc n ASN 22 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3cxc s LYS 23 N -5.13 1.72 -0.14 1.20 1.02 -0.54 -1.63 119.74 116.25 3cxc s LYS 23 Ca 0.08 -0.57 -0.02 0.00 0.02 0.00 0.00 55.97 55.48 3cxc s LYS 23 Cb -0.01 -1.49 -0.02 0.00 -0.52 0.00 0.00 37.83 35.79 3cxc s LYS 23 CO 0.70 0.21 -0.07 -0.51 -0.92 0.00 0.00 175.35 174.76 3cxc s LEU 24 N 0.12 3.08 -0.10 3.17 1.43 0.28 -2.71 118.68 123.95 3cxc s LEU 24 Ca -0.05 -0.18 -0.05 0.00 -1.03 0.00 0.00 54.13 52.83 3cxc s LEU 24 Cb -0.12 -1.72 -0.04 0.00 0.03 0.00 0.00 46.19 44.34 3cxc s LEU 24 CO 0.02 0.19 0.07 -1.10 0.23 0.00 0.00 176.35 175.77 3cxc s GLN 25 N 0.23 3.22 0.04 1.70 -0.21 -1.26 -0.20 119.66 123.17 3cxc s GLN 25 Ca -0.04 -0.26 0.02 0.00 0.02 0.00 0.00 55.36 55.09 3cxc s GLN 25 Cb -0.14 -3.00 -0.02 0.00 1.00 0.00 0.00 33.01 30.84 3cxc s GLN 25 CO 0.04 0.74 -0.06 -0.06 -2.12 0.00 0.00 175.29 173.83 3cxc s PHE 26 N -0.96 0.55 -0.30 0.91 0.40 0.00 -1.55 117.98 117.03 3cxc s PHE 26 Ca 0.14 -0.50 -0.18 0.00 -0.60 0.00 0.00 56.93 55.79 3cxc s PHE 26 Cb -0.12 -0.34 -0.02 0.00 0.51 0.00 0.00 43.02 43.06 3cxc s PHE 26 CO 0.03 -0.11 0.52 0.00 0.70 0.00 0.00 175.22 176.36 3cxc s ALA 27 N -1.39 3.54 0.22 5.36 0.00 0.35 -0.93 121.76 128.91 3cxc s ALA 27 Ca -0.12 -0.77 0.06 0.00 0.00 0.00 0.00 51.96 51.13 3cxc s ALA 27 Cb -0.10 -2.95 -0.05 0.00 0.00 0.00 0.00 23.12 20.02 3cxc s ALA 27 CO -0.00 -0.95 -0.08 0.14 0.00 0.00 0.00 175.76 174.86 3cxc s VAL 28 N 2.37 1.46 0.18 0.00 -7.23 0.50 -0.50 120.40 117.17 3cxc s VAL 28 Ca 0.20 -2.12 -0.31 0.00 -1.81 0.00 0.00 61.98 57.94 3cxc s VAL 28 Cb -0.15 -2.18 -0.10 0.00 0.56 0.00 0.00 36.38 34.51 3cxc s VAL 28 CO 0.11 -0.49 1.54 -0.62 -0.31 0.00 0.00 175.10 175.33 3cxc s ASP 29 N -3.32 6.60 0.08 4.85 -1.08 -0.67 -3.06 116.67 120.07 3cxc s ASP 29 Ca 0.24 2.62 0.06 0.00 -0.52 0.00 0.00 52.55 54.96 3cxc s ASP 29 Cb 0.02 -2.60 0.32 0.00 -1.46 0.00 0.00 42.92 39.21 3cxc s ASP 29 CO 0.07 -0.80 1.19 -0.90 0.52 0.00 0.00 175.17 175.25 3cxc n ASP 30 N 3.63 0.14 -0.25 -0.34 5.75 -1.26 -0.83 116.55 123.39 3cxc n ASP 30 Ca 0.12 0.56 0.13 0.00 -0.01 0.00 0.00 54.79 55.60 3cxc n ASP 30 Cb 0.39 -0.58 0.45 0.00 -1.03 0.00 0.00 41.12 40.34 3cxc n ASP 30 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3cxc n ARG 31 N -1.69 0.91 -3.13 0.11 1.74 -1.26 -4.88 116.66 108.46 3cxc n ARG 31 Ca -0.00 -0.50 -0.38 0.00 -0.77 0.00 0.00 57.85 56.20 3cxc n ARG 31 Cb 0.02 -1.49 -0.06 0.00 -1.02 0.00 0.00 32.46 29.91 3cxc n ARG 31 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3cxc s ALA 32 N -2.43 3.49 0.63 7.54 0.00 -0.01 -5.08 121.76 125.90 3cxc s ALA 32 Ca 0.27 0.17 0.04 0.00 0.00 0.00 0.00 51.96 52.44 3cxc s ALA 32 Cb 0.20 -2.79 0.10 0.00 0.00 0.00 0.00 23.12 20.63 3cxc s ALA 32 CO 0.49 0.35 0.87 -1.54 0.00 0.00 0.00 175.76 175.93 3cxc s SER 33 N -1.34 4.78 0.15 0.00 1.04 -1.26 -4.90 113.70 112.17 3cxc s SER 33 Ca 0.36 -0.53 -0.13 0.00 0.48 0.00 0.00 55.95 56.13 3cxc s SER 33 Cb -0.19 0.00 0.02 0.00 0.10 0.00 0.00 66.02 65.95 3cxc s SER 33 CO 0.22 -1.54 1.65 0.11 0.98 0.00 0.00 173.24 174.65 3cxc h LYS 34 N -0.14 0.78 -0.38 4.02 1.57 -1.98 0.11 116.57 120.56 3cxc h LYS 34 Ca -0.34 -0.19 0.02 0.00 -1.87 0.00 0.00 60.65 58.26 3cxc h LYS 34 Cb 1.28 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 33.46 3cxc h LYS 34 CO 0.42 0.77 0.20 0.78 -0.57 0.00 0.00 179.45 181.05 3cxc h GLY 35 N 0.66 0.52 0.92 3.86 0.00 -1.97 0.61 103.07 107.66 3cxc h GLY 35 Ca 0.15 -0.15 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 3cxc h GLY 35 CO 0.00 0.12 0.09 0.83 0.00 0.00 0.00 176.54 177.58 3cxc h GLU 36 N 0.42 0.56 -0.93 4.80 5.08 -1.90 -1.51 114.58 121.10 3cxc h GLU 36 Ca 0.15 -0.13 0.05 0.00 -1.00 0.00 0.00 59.36 58.42 3cxc h GLU 36 Cb 0.03 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.15 3cxc h GLU 36 CO -0.09 0.61 0.60 0.28 -1.00 0.00 0.00 179.01 179.41 3cxc h VAL 37 N 0.42 1.12 0.35 3.13 2.07 -0.43 -1.32 116.25 121.58 3cxc h VAL 37 Ca 0.11 -0.39 -0.02 0.00 0.82 0.00 0.00 66.70 67.22 3cxc h VAL 37 Cb 0.30 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 29.96 3cxc h VAL 37 CO 0.00 0.21 -0.17 0.00 0.02 0.00 0.00 177.57 177.63 3cxc h ALA 38 N 1.40 -0.47 0.84 1.67 0.00 -0.49 -2.05 119.26 120.16 3cxc h ALA 38 Ca 0.38 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 3cxc h ALA 38 Cb 0.06 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3cxc h ALA 38 CO -0.14 -0.73 -0.45 -0.44 0.00 0.00 0.00 179.25 177.49 3cxc h ASP 39 N -0.53 -1.08 -0.97 0.00 3.32 -1.08 -1.66 116.42 114.41 3cxc h ASP 39 Ca -0.05 0.05 0.25 0.00 0.02 0.00 0.00 57.03 57.30 3cxc h ASP 39 Cb 0.40 0.30 -0.18 0.00 0.22 0.00 0.00 39.33 40.07 3cxc h ASP 39 CO 0.08 -0.73 0.00 0.00 -1.72 0.00 0.00 179.24 176.87 3cxc h ALA 40 N -1.06 1.09 -0.14 3.45 0.00 -1.27 0.11 119.26 121.43 3cxc h ALA 40 Ca -0.11 0.33 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 3cxc h ALA 40 Cb 0.93 0.59 -0.01 0.00 0.00 0.00 0.00 17.79 19.30 3cxc h ALA 40 CO 0.16 -0.54 0.07 0.28 0.00 0.00 0.00 179.25 179.22 3cxc h VAL 41 N 0.02 1.12 -0.59 0.00 2.07 -1.04 -1.46 116.25 116.36 3cxc h VAL 41 Ca 0.57 -0.34 0.03 0.00 0.82 0.00 0.00 66.70 67.77 3cxc h VAL 41 Cb 1.13 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 31.96 3cxc h VAL 41 CO -0.91 0.11 0.36 -0.33 0.02 0.00 0.00 177.57 176.83 3cxc h GLU 42 N 0.10 0.69 -0.07 1.57 5.08 0.10 -1.82 114.58 120.23 3cxc h GLU 42 Ca 0.05 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.25 3cxc h GLU 42 Cb 0.11 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 3cxc h GLU 42 CO -0.01 0.46 -0.50 0.93 -1.00 0.00 0.00 179.01 178.90 3cxc h GLU 43 N 0.72 0.18 0.04 2.33 5.08 -1.10 0.26 114.58 122.09 3cxc h GLU 43 Ca 0.24 -0.10 -0.23 0.00 -1.00 0.00 0.00 59.36 58.26 3cxc h GLU 43 Cb 0.02 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 3cxc h GLU 43 CO -0.10 0.64 -1.08 1.96 -1.00 0.00 0.00 179.01 179.44 3cxc h GLN 44 N 0.15 0.09 -0.00 2.33 1.08 -0.97 -3.37 115.11 114.41 3cxc h GLN 44 Ca 0.01 -0.16 0.00 0.00 -1.45 0.00 0.00 58.65 57.05 3cxc h GLN 44 Cb 0.93 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 28.42 3cxc h GLN 44 CO 0.07 1.07 0.00 0.66 -0.95 0.00 0.00 178.83 179.68 3cxc n TYR 45 N -3.42 0.00 -3.36 2.96 4.02 -0.71 -5.04 117.16 111.62 3cxc n TYR 45 Ca -0.03 -0.11 -0.17 0.00 -0.01 0.00 0.00 57.90 57.58 3cxc n TYR 45 Cb 0.96 -0.01 0.04 0.00 -0.02 0.00 0.00 39.34 40.32 3cxc n TYR 45 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 3cxc n ASP 46 N -0.08 -6.45 -2.83 7.72 -0.08 0.90 -5.03 116.55 110.70 3cxc n ASP 46 Ca 0.00 -0.67 -0.16 0.00 -1.51 0.00 0.00 54.79 52.46 3cxc n ASP 46 Cb 0.06 -4.53 -0.05 0.00 2.34 0.00 0.00 41.12 38.94 3cxc n ASP 46 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 3cxc n VAL 47 N -3.15 0.00 -4.00 5.18 0.24 -1.18 -5.07 118.33 110.35 3cxc n VAL 47 Ca -0.07 -1.73 -0.34 0.00 -2.04 0.00 0.00 64.34 60.16 3cxc n VAL 47 Cb 0.59 0.77 -0.15 0.00 -1.47 0.00 0.00 33.84 33.58 3cxc n VAL 47 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3cxc s THR 48 N -2.84 2.67 -0.15 3.34 2.01 -1.26 -4.65 115.64 114.76 3cxc s THR 48 Ca 0.23 -0.98 -0.23 0.00 0.31 0.00 0.00 61.69 61.02 3cxc s THR 48 Cb 0.01 -2.30 -0.02 0.00 0.01 0.00 0.00 72.50 70.20 3cxc s THR 48 CO 0.16 0.30 0.71 -0.69 -0.69 0.00 0.00 174.62 174.41 3cxc s VAL 49 N 1.32 4.98 -0.17 3.82 1.01 -1.26 -1.01 120.40 129.09 3cxc s VAL 49 Ca 0.01 1.39 -0.12 0.00 0.00 0.00 0.00 61.98 63.26 3cxc s VAL 49 Cb -0.16 -4.03 -0.22 0.00 0.00 0.00 0.00 36.38 31.97 3cxc s VAL 49 CO -0.07 0.12 0.22 -0.62 0.00 0.00 0.00 175.10 174.76 3cxc n GLU 50 N 4.76 0.67 -3.63 2.72 -0.58 0.85 -4.88 120.64 120.56 3cxc n GLU 50 Ca 0.00 0.37 -0.15 0.00 -0.42 0.00 0.00 57.16 56.97 3cxc n GLU 50 Cb 0.50 -1.70 -0.07 0.00 -0.57 0.00 0.00 31.44 29.60 3cxc n GLU 50 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 3cxc s GLN 51 N -2.48 0.91 -0.01 3.49 0.74 -1.12 -5.00 119.66 116.18 3cxc s GLN 51 Ca -0.27 -0.09 0.02 0.00 0.05 0.00 0.00 55.36 55.08 3cxc s GLN 51 Cb 0.07 0.42 -0.00 0.00 1.10 0.00 0.00 33.01 34.60 3cxc s GLN 51 CO 0.67 -0.29 -0.08 0.08 -0.55 0.00 0.00 175.29 175.12 3cxc s VAL 52 N -1.72 0.67 -0.03 1.34 1.01 -1.26 -0.53 120.40 119.89 3cxc s VAL 52 Ca -0.10 -0.34 0.04 0.00 0.00 0.00 0.00 61.98 61.59 3cxc s VAL 52 Cb -0.02 -0.58 -0.01 0.00 0.00 0.00 0.00 36.38 35.77 3cxc s VAL 52 CO 0.04 0.20 -0.17 0.20 0.00 0.00 0.00 175.10 175.37 3cxc s ASN 53 N -0.01 2.04 0.30 3.32 0.01 0.39 -4.94 114.94 116.04 3cxc s ASN 53 Ca 0.00 -0.33 0.08 0.00 -0.71 0.00 0.00 52.86 51.91 3cxc s ASN 53 Cb -0.05 -0.46 -0.06 0.00 0.41 0.00 0.00 41.25 41.09 3cxc s ASN 53 CO -0.00 0.17 -0.09 0.42 -1.51 0.00 0.00 177.10 176.08 3cxc s THR 54 N -0.09 1.93 -0.23 1.60 -4.23 -1.26 0.96 115.64 114.32 3cxc s THR 54 Ca -0.00 -2.19 -0.13 0.00 -1.18 0.00 0.00 61.69 58.19 3cxc s THR 54 Cb -0.10 -2.47 0.07 0.00 1.34 0.00 0.00 72.50 71.34 3cxc s THR 54 CO 0.01 -0.30 0.57 -1.58 -0.54 0.00 0.00 174.62 172.79 3cxc s GLN 55 N -3.66 0.58 -0.66 3.99 0.74 0.14 -4.99 119.66 115.80 3cxc s GLN 55 Ca 0.30 1.04 -0.22 0.00 0.05 0.00 0.00 55.36 56.52 3cxc s GLN 55 Cb 0.02 0.08 0.07 0.00 1.10 0.00 0.00 33.01 34.28 3cxc s GLN 55 CO 0.13 -0.15 0.96 -0.80 -0.55 0.00 0.00 175.29 174.88 3cxc s ASN 56 N 1.50 6.17 0.64 6.67 0.01 -1.26 0.01 114.94 128.68 3cxc s ASN 56 Ca -0.09 -1.01 -0.17 0.00 -0.71 0.00 0.00 52.86 50.87 3cxc s ASN 56 Cb -0.06 -2.41 -0.01 0.00 0.41 0.00 0.00 41.25 39.17 3cxc s ASN 56 CO -0.16 -1.43 1.19 -0.89 -1.51 0.00 0.00 177.10 174.30 3cxc s THR 57 N 4.01 2.65 -0.61 1.60 2.01 0.48 -4.88 115.64 120.90 3cxc s THR 57 Ca 0.22 0.36 0.00 0.00 0.31 0.00 0.00 61.69 62.58 3cxc s THR 57 Cb -0.17 -3.03 0.00 0.00 0.01 0.00 0.00 72.50 69.31 3cxc s THR 57 CO 0.10 -0.13 0.47 0.23 -0.69 0.00 0.00 174.62 174.60 3cxc n MET 58 N -2.04 0.68 -0.01 4.92 2.81 -1.26 -1.39 117.12 120.83 3cxc n MET 58 Ca 0.13 0.00 0.03 0.00 -1.81 0.00 0.00 57.70 56.05 3cxc n MET 58 Cb 0.50 -1.27 0.03 0.00 -0.71 0.00 0.00 33.22 31.77 3cxc n MET 58 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3cxc n ASP 59 N 0.35 1.64 0.00 7.83 10.43 -1.26 -4.96 116.55 130.57 3cxc n ASP 59 Ca 0.00 -1.36 0.00 0.00 2.57 0.00 0.00 54.79 56.00 3cxc n ASP 59 Cb 0.24 -0.02 0.00 0.00 1.84 0.00 0.00 41.12 43.18 3cxc n ASP 59 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3cxc n GLY 60 N 0.27 1.28 3.88 0.44 0.00 -0.49 -5.03 105.19 105.54 3cxc n GLY 60 Ca 0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 3cxc n GLY 60 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3cxc s GLU 61 N -0.36 2.29 -0.15 1.61 2.02 -1.25 -4.94 118.70 117.92 3cxc s GLU 61 Ca 0.00 -1.94 -0.01 0.00 0.02 0.00 0.00 54.97 53.04 3cxc s GLU 61 Cb 0.00 -2.11 -0.01 0.00 0.10 0.00 0.00 34.13 32.11 3cxc s GLU 61 CO 0.00 -0.49 -0.11 0.21 0.02 0.00 0.00 175.26 174.89 3cxc s LYS 62 N -4.20 3.41 -0.16 1.61 2.20 -1.17 -0.38 119.74 121.04 3cxc s LYS 62 Ca 0.36 -0.66 -0.05 0.00 -0.36 0.00 0.00 55.97 55.26 3cxc s LYS 62 Cb -0.01 -2.72 -0.03 0.00 -1.51 0.00 0.00 37.83 33.56 3cxc s LYS 62 CO 0.22 0.15 -0.00 0.21 -0.36 0.00 0.00 175.35 175.56 3cxc s LYS 63 N 0.53 3.77 -0.11 4.03 2.20 0.10 -0.37 119.74 129.89 3cxc s LYS 63 Ca -0.07 -0.46 0.02 0.00 -0.36 0.00 0.00 55.97 55.10 3cxc s LYS 63 Cb -0.15 -3.01 -0.01 0.00 -1.51 0.00 0.00 37.83 33.15 3cxc s LYS 63 CO 0.04 0.26 -0.19 0.00 -0.36 0.00 0.00 175.35 175.09 3cxc s ALA 64 N 0.35 2.37 -0.37 3.13 0.00 -0.10 -0.68 121.76 126.45 3cxc s ALA 64 Ca -0.02 -0.94 -0.12 0.00 0.00 0.00 0.00 51.96 50.89 3cxc s ALA 64 Cb -0.14 -0.99 0.02 0.00 0.00 0.00 0.00 23.12 22.01 3cxc s ALA 64 CO 0.02 0.27 0.23 0.08 0.00 0.00 0.00 175.76 176.35 3cxc s VAL 65 N 0.35 4.80 -0.19 0.00 1.01 0.27 -0.82 120.40 125.83 3cxc s VAL 65 Ca -0.15 -0.71 -0.05 0.00 0.00 0.00 0.00 61.98 61.07 3cxc s VAL 65 Cb -0.17 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 3cxc s VAL 65 CO 0.07 -0.20 -0.00 -0.69 0.00 0.00 0.00 175.10 174.28 3cxc s VAL 66 N 1.60 4.02 -0.25 2.92 1.01 0.72 -0.47 120.40 129.96 3cxc s VAL 66 Ca 0.03 -0.29 -0.08 0.00 0.00 0.00 0.00 61.98 61.64 3cxc s VAL 66 Cb -0.19 -2.81 -0.04 0.00 0.00 0.00 0.00 36.38 33.35 3cxc s VAL 66 CO 0.08 0.44 0.10 -0.60 0.00 0.00 0.00 175.10 175.12 3cxc s ARG 67 N 0.82 3.77 0.46 2.72 3.52 0.31 0.10 118.95 130.66 3cxc s ARG 67 Ca 0.01 -0.42 -0.11 0.00 -0.13 0.00 0.00 55.73 55.08 3cxc s ARG 67 Cb -0.14 -3.39 -0.06 0.00 -1.56 0.00 0.00 34.95 29.80 3cxc s ARG 67 CO 0.02 -0.12 0.85 -0.51 -0.81 0.00 0.00 175.30 174.72 3cxc s LEU 68 N 1.48 3.69 0.76 -0.88 1.43 -0.64 -0.11 118.68 124.40 3cxc s LEU 68 Ca 0.06 1.22 -0.12 0.00 -1.03 0.00 0.00 54.13 54.26 3cxc s LEU 68 Cb -0.15 -4.14 0.06 0.00 0.03 0.00 0.00 46.19 41.98 3cxc s LEU 68 CO 0.05 -0.52 1.12 -0.94 0.23 0.00 0.00 176.35 176.29 3cxc s SER 69 N -3.41 4.36 0.62 2.29 1.04 -0.18 -4.71 113.70 113.72 3cxc s SER 69 Ca 0.53 1.98 0.31 0.00 0.48 0.00 0.00 55.95 59.25 3cxc s SER 69 Cb -0.10 -2.54 1.71 0.00 0.10 0.00 0.00 66.02 65.19 3cxc s SER 69 CO 0.36 -2.13 2.05 -0.33 0.98 0.00 0.00 173.24 174.16 3cxc h GLU 70 N -0.87 0.00 -0.67 4.02 5.08 -1.97 0.81 114.58 120.98 3cxc h GLU 70 Ca -0.45 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 57.87 3cxc h GLU 70 Cb 1.25 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.47 3cxc h GLU 70 CO 0.50 0.00 0.25 0.22 -1.00 0.00 0.00 179.01 178.98 3cxc h ASP 71 N 0.00 0.91 -2.44 1.42 1.82 -1.96 -3.43 116.42 112.74 3cxc h ASP 71 Ca 0.07 -0.14 -0.50 0.00 -0.39 0.00 0.00 57.03 56.08 3cxc h ASP 71 Cb 0.61 -0.24 -0.01 0.00 0.68 0.00 0.00 39.33 40.36 3cxc h ASP 71 CO -0.00 0.83 -0.41 -1.81 -1.61 0.00 0.00 179.24 176.24 3cxc s ASP 72 N -6.47 6.33 -0.26 2.28 1.01 0.28 -5.10 116.67 114.74 3cxc s ASP 72 Ca -0.11 0.17 0.03 0.00 0.71 0.00 0.00 52.55 53.35 3cxc s ASP 72 Cb 0.16 -1.91 0.06 0.00 1.01 0.00 0.00 42.92 42.24 3cxc s ASP 72 CO 0.81 -0.04 -0.10 -0.62 0.21 0.00 0.00 175.17 175.43 3cxc s ASP 73 N -3.64 4.40 0.19 0.27 -1.08 -1.26 -4.71 116.67 110.84 3cxc s ASP 73 Ca 0.35 -1.40 -0.13 0.00 -0.52 0.00 0.00 52.55 50.84 3cxc s ASP 73 Cb -0.10 -1.52 0.20 0.00 -1.46 0.00 0.00 42.92 40.04 3cxc s ASP 73 CO 0.29 -0.20 1.68 0.00 0.52 0.00 0.00 175.17 177.47 3cxc h ALA 74 N 7.78 0.49 -0.71 3.66 0.00 -1.86 -1.54 119.26 127.08 3cxc h ALA 74 Ca -0.18 0.15 0.16 0.00 0.00 0.00 0.00 54.91 55.03 3cxc h ALA 74 Cb 1.04 0.25 -0.12 0.00 0.00 0.00 0.00 17.79 18.96 3cxc h ALA 74 CO 0.46 -0.38 0.04 1.96 0.00 0.00 0.00 179.25 181.33 3cxc h GLN 75 N 0.13 0.13 -0.25 0.00 4.20 -1.95 -1.35 115.11 116.03 3cxc h GLN 75 Ca 0.26 -0.01 -0.09 0.00 0.06 0.00 0.00 58.65 58.87 3cxc h GLN 75 Cb 0.39 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.13 3cxc h GLN 75 CO -0.42 0.09 -0.20 0.93 -0.67 0.00 0.00 178.83 178.56 3cxc h GLU 76 N 0.14 0.57 -0.63 1.46 5.08 -1.71 -2.32 114.58 117.17 3cxc h GLU 76 Ca 0.39 -0.28 0.05 0.00 -1.00 0.00 0.00 59.36 58.51 3cxc h GLU 76 Cb 0.67 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.88 3cxc h GLU 76 CO -0.60 0.87 0.36 0.28 -1.00 0.00 0.00 179.01 178.92 3cxc h VAL 77 N 0.28 1.00 0.00 3.13 2.07 -0.73 -2.40 116.25 119.60 3cxc h VAL 77 Ca 0.04 -0.23 -0.11 0.00 0.82 0.00 0.00 66.70 67.22 3cxc h VAL 77 Cb 0.74 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 3cxc h VAL 77 CO 0.05 0.12 -0.53 0.00 0.02 0.00 0.00 177.57 177.24 3cxc h ALA 78 N 1.31 1.11 0.00 1.67 0.00 -1.26 -3.20 119.26 118.89 3cxc h ALA 78 Ca 0.27 -0.48 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 3cxc h ALA 78 Cb 0.13 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3cxc h ALA 78 CO -0.15 0.66 -0.11 0.66 0.00 0.00 0.00 179.25 180.30 3cxc h SER 79 N 0.00 0.00 -0.01 0.00 4.64 -0.88 -2.66 113.55 114.65 3cxc h SER 79 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3cxc h SER 79 Cb 0.94 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 3cxc h SER 79 CO 0.07 0.11 0.00 -2.11 -0.87 0.00 0.00 176.83 174.03 3cxc n ARG 80 N -3.41 1.07 0.00 4.77 1.85 -1.21 -5.11 116.66 114.62 3cxc n ARG 80 Ca -0.01 -0.10 0.00 0.00 -1.00 0.00 0.00 57.85 56.74 3cxc n ARG 80 Cb 0.28 -1.45 0.00 0.00 -1.05 0.00 0.00 32.46 30.24 3cxc n ARG 80 CO 0.00 0.00 0.00 0.44 -0.01 0.00 0.00 177.63 178.06