#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cxc s ARG 8 N 0.00 0.63 -0.16 5.31 1.70 -0.19 -4.97 118.95 121.27 3cxc s ARG 8 Ca 0.00 -0.38 -0.01 0.00 -0.47 0.00 0.00 55.73 54.87 3cxc s ARG 8 Cb 0.00 0.19 -0.01 0.00 -0.57 0.00 0.00 34.95 34.56 3cxc s ARG 8 CO 0.00 -0.29 -0.13 0.08 -1.08 0.00 0.00 175.30 173.88 3cxc s VAL 9 N -2.32 2.93 0.06 4.99 1.01 -1.26 -1.49 120.40 124.33 3cxc s VAL 9 Ca 0.21 -0.68 0.07 0.00 0.00 0.00 0.00 61.98 61.58 3cxc s VAL 9 Cb 0.01 -2.25 -0.03 0.00 0.00 0.00 0.00 36.38 34.11 3cxc s VAL 9 CO -0.01 0.50 -0.20 -0.69 0.00 0.00 0.00 175.10 174.71 3cxc s VAL 10 N 0.75 1.59 -0.37 2.92 1.01 0.11 -4.95 120.40 121.46 3cxc s VAL 10 Ca -0.05 -1.28 -0.13 0.00 0.00 0.00 0.00 61.98 60.52 3cxc s VAL 10 Cb -0.15 -1.41 0.00 0.00 0.00 0.00 0.00 36.38 34.82 3cxc s VAL 10 CO 0.01 0.09 0.26 -0.89 0.00 0.00 0.00 175.10 174.57 3cxc s THR 11 N -0.93 5.19 -0.21 3.92 2.01 -1.26 0.81 115.64 125.17 3cxc s THR 11 Ca 0.06 -0.44 -0.17 0.00 0.31 0.00 0.00 61.69 61.45 3cxc s THR 11 Cb -0.09 -3.77 -0.03 0.00 0.01 0.00 0.00 72.50 68.62 3cxc s THR 11 CO 0.02 -0.13 0.48 -0.63 -0.69 0.00 0.00 174.62 173.67 3cxc s ILE 12 N 1.69 5.13 -0.05 1.82 -1.09 0.51 -4.91 121.20 124.31 3cxc s ILE 12 Ca 0.05 0.85 -0.23 0.00 -2.23 0.00 0.00 60.65 59.10 3cxc s ILE 12 Cb -0.18 -3.80 -0.04 0.00 -1.58 0.00 0.00 42.46 36.86 3cxc s ILE 12 CO 0.10 0.19 0.68 -2.16 -1.23 0.00 0.00 174.94 172.52 3cxc s PRO 13 N 1.65 4.42 -0.34 2.79 0.04 -1.26 -1.86 135.00 140.44 3cxc s PRO 13 Ca 0.22 0.86 0.06 0.00 0.04 0.00 0.00 61.00 62.18 3cxc s PRO 13 Cb -0.15 -3.42 0.46 0.00 0.04 0.00 0.00 34.50 31.43 3cxc s PRO 13 CO 0.09 0.14 1.37 1.28 0.04 0.00 0.00 177.00 179.92 3cxc n LEU 14 N 3.51 5.00 0.19 -3.56 4.77 0.21 -4.66 117.00 122.46 3cxc n LEU 14 Ca -0.02 -4.43 0.07 0.00 -0.03 0.00 0.00 56.01 51.59 3cxc n LEU 14 Cb 0.51 -0.51 0.31 0.00 -2.33 0.00 0.00 43.42 41.40 3cxc n LEU 14 CO 0.46 1.80 0.68 0.08 -1.33 0.00 0.00 177.39 179.08 3cxc h ARG 15 N 1.83 0.00 0.00 3.23 0.11 -1.92 -3.11 114.38 114.51 3cxc h ARG 15 Ca 0.34 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.42 3cxc h ARG 15 Cb 1.39 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.47 3cxc h ARG 15 CO 0.75 0.34 0.00 -0.25 0.10 0.00 0.00 179.97 180.91 3cxc n ASP 16 N -3.41 0.00 -0.51 0.08 8.00 -1.26 -2.70 116.55 116.76 3cxc n ASP 16 Ca 0.00 -1.05 0.14 0.00 0.71 0.00 0.00 54.79 54.59 3cxc n ASP 16 Cb 0.53 0.00 0.48 0.00 -0.02 0.00 0.00 41.12 42.11 3cxc n ASP 16 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3cxc n ALA 17 N -0.89 2.59 0.95 2.24 0.00 -1.18 -3.38 120.51 120.85 3cxc n ALA 17 Ca 0.16 -0.46 0.13 0.00 0.00 0.00 0.00 53.44 53.27 3cxc n ALA 17 Cb 0.07 -1.14 0.38 0.00 0.00 0.00 0.00 19.45 18.77 3cxc n ALA 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3cxc n ARG 18 N 0.22 0.03 0.20 0.00 1.74 -1.10 -3.27 116.66 114.49 3cxc n ARG 18 Ca 0.18 0.01 0.09 0.00 -0.77 0.00 0.00 57.85 57.37 3cxc n ARG 18 Cb 0.37 -1.52 0.16 0.00 -1.02 0.00 0.00 32.46 30.45 3cxc n ARG 18 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3cxc h ALA 19 N 2.95 0.89 -2.79 7.54 0.00 -1.78 -3.44 119.26 122.62 3cxc h ALA 19 Ca 0.00 -0.17 -0.60 0.00 0.00 0.00 0.00 54.91 54.14 3cxc h ALA 19 Cb 0.53 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.22 3cxc h ALA 19 CO 0.00 0.23 -0.20 -2.00 0.00 0.00 0.00 179.25 177.28 3cxc s GLU 20 N -3.17 4.07 0.00 0.00 2.56 -1.20 -5.00 118.70 115.95 3cxc s GLU 20 Ca 0.05 0.39 -0.39 0.00 0.00 0.00 0.00 54.97 55.02 3cxc s GLU 20 Cb 0.06 -3.30 -0.20 0.00 2.00 0.00 0.00 34.13 32.70 3cxc s GLU 20 CO 0.69 0.50 1.05 -0.35 -0.56 0.00 0.00 175.26 176.58 3cxc n PRO 21 N 2.51 0.00 -0.30 4.30 -0.04 -1.26 -4.70 135.00 135.51 3cxc n PRO 21 Ca -0.12 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.45 3cxc n PRO 21 Cb 0.52 -1.47 0.25 0.00 -0.04 0.00 0.00 33.50 32.76 3cxc n PRO 21 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 3cxc h ASN 22 N 2.93 -0.22 0.00 3.54 2.35 -1.89 -0.89 115.58 121.40 3cxc h ASN 22 Ca -0.50 0.22 0.00 0.00 -0.55 0.00 0.00 56.30 55.47 3cxc h ASN 22 Cb 1.40 0.35 0.00 0.00 0.05 0.00 0.00 38.32 40.11 3cxc h ASN 22 CO 0.64 -0.21 0.00 0.00 -1.65 0.00 0.00 177.43 176.20 3cxc n HIS 23 N -5.33 0.00 -1.69 1.19 1.44 -1.26 -2.15 115.22 107.43 3cxc n HIS 23 Ca 0.20 0.00 0.03 0.00 -2.01 0.00 0.00 57.72 55.94 3cxc n HIS 23 Cb 0.64 0.00 0.05 0.00 0.12 0.00 0.00 29.99 30.80 3cxc n HIS 23 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 3cxc n LYS 24 N -0.78 0.43 -0.09 -1.40 5.02 -0.34 -4.43 118.16 116.57 3cxc n LYS 24 Ca 0.04 -1.54 -0.07 0.00 -2.02 0.00 0.00 58.31 54.73 3cxc n LYS 24 Cb 0.02 -0.84 0.01 0.00 -0.02 0.00 0.00 35.03 34.20 3cxc n LYS 24 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3cxc h ARG 25 N 0.00 0.19 -0.05 1.97 3.08 -1.12 -3.01 114.38 115.44 3cxc h ARG 25 Ca -0.00 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.04 3cxc h ARG 25 Cb 1.26 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.26 3cxc h ARG 25 CO 0.00 0.13 -0.05 0.00 -1.07 0.00 0.00 179.97 178.98 3cxc h ALA 26 N 1.23 -0.23 -0.95 0.04 0.00 -1.39 0.17 119.26 118.13 3cxc h ALA 26 Ca 0.15 0.00 0.14 0.00 0.00 0.00 0.00 54.91 55.21 3cxc h ALA 26 Cb 0.15 0.85 -0.15 0.00 0.00 0.00 0.00 17.79 18.64 3cxc h ALA 26 CO -0.19 -0.26 -0.40 -0.44 0.00 0.00 0.00 179.25 177.96 3cxc h ASP 27 N -0.02 -1.48 -0.51 0.00 3.45 -1.82 0.18 116.42 116.23 3cxc h ASP 27 Ca 0.01 0.30 0.05 0.00 0.43 0.00 0.00 57.03 57.82 3cxc h ASP 27 Cb 0.05 0.76 -0.05 0.00 -0.56 0.00 0.00 39.33 39.53 3cxc h ASP 27 CO -0.06 -0.29 0.24 0.50 -1.57 0.00 0.00 179.24 178.06 3cxc h LYS 28 N -0.02 0.46 0.02 3.56 1.63 -1.07 -2.24 116.57 118.91 3cxc h LYS 28 Ca 0.32 -0.03 0.03 0.00 -0.85 0.00 0.00 60.65 60.12 3cxc h LYS 28 Cb 0.58 -0.10 -0.05 0.00 -0.60 0.00 0.00 32.23 32.05 3cxc h LYS 28 CO -0.95 0.30 -0.35 0.00 -3.45 0.00 0.00 179.45 175.00 3cxc h ALA 29 N 1.29 -0.54 -1.18 5.00 0.00 0.22 0.12 119.26 124.17 3cxc h ALA 29 Ca 0.23 -0.03 0.34 0.00 0.00 0.00 0.00 54.91 55.45 3cxc h ALA 29 Cb 0.16 0.61 -0.10 0.00 0.00 0.00 0.00 17.79 18.46 3cxc h ALA 29 CO -0.17 -0.87 0.78 1.98 0.00 0.00 0.00 179.25 180.96 3cxc h MET 30 N -0.52 0.21 -0.03 0.00 1.85 -0.67 0.62 114.93 116.40 3cxc h MET 30 Ca 0.05 -0.01 -0.16 0.00 -0.61 0.00 0.00 59.70 58.97 3cxc h MET 30 Cb 0.59 -0.05 0.01 0.00 0.43 0.00 0.00 31.60 32.59 3cxc h MET 30 CO -0.27 0.14 -0.59 0.82 -0.40 0.00 0.00 176.91 176.61 3cxc h ILE 31 N 0.22 1.40 -0.70 1.77 2.04 -0.31 -3.14 117.51 118.78 3cxc h ILE 31 Ca 0.67 -2.01 0.09 0.00 1.00 0.00 0.00 64.86 64.61 3cxc h ILE 31 Cb 2.04 2.48 -0.07 0.00 -0.74 0.00 0.00 36.82 40.52 3cxc h ILE 31 CO -0.28 0.59 0.36 -0.07 0.00 0.00 0.00 178.15 178.76 3cxc h LEU 32 N -0.03 0.49 0.20 1.44 3.38 0.25 -0.24 115.31 120.80 3cxc h LEU 32 Ca -0.07 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3cxc h LEU 32 Cb 1.28 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.98 3cxc h LEU 32 CO 0.12 0.29 -0.18 0.40 0.09 0.00 0.00 178.44 179.15 3cxc h ILE 33 N 0.62 0.60 -0.41 1.22 2.04 -0.94 0.64 117.51 121.27 3cxc h ILE 33 Ca 0.34 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.26 3cxc h ILE 33 Cb 0.33 0.60 -0.05 0.00 -0.74 0.00 0.00 36.82 36.95 3cxc h ILE 33 CO -0.25 0.00 0.10 -0.09 0.00 0.00 0.00 178.15 177.91 3cxc h ARG 34 N -0.41 0.22 -0.67 2.37 2.43 -1.39 -1.59 114.38 115.34 3cxc h ARG 34 Ca -0.00 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.18 3cxc h ARG 34 Cb 0.38 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.84 3cxc h ARG 34 CO -0.04 0.15 0.44 0.93 -1.51 0.00 0.00 179.97 179.94 3cxc h GLU 35 N 0.23 0.81 0.74 0.20 5.08 -0.61 -1.13 114.58 119.89 3cxc h GLU 35 Ca 0.20 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.47 3cxc h GLU 35 Cb 0.23 -0.18 0.01 0.00 0.50 0.00 0.00 28.75 29.31 3cxc h GLU 35 CO -0.25 0.53 -0.35 1.25 -1.00 0.00 0.00 179.01 179.19 3cxc h HIS 36 N 0.83 -0.92 -0.08 4.33 2.76 0.05 -2.43 115.15 119.70 3cxc h HIS 36 Ca 0.26 -0.02 0.04 0.00 -2.20 0.00 0.00 60.37 58.45 3cxc h HIS 36 Cb 0.02 0.30 -0.06 0.00 1.55 0.00 0.00 27.41 29.22 3cxc h HIS 36 CO -0.00 -0.57 -0.33 -0.07 -1.30 0.00 0.00 177.93 175.66 3cxc h LEU 37 N -1.14 -1.00 -0.86 0.26 3.38 -1.25 0.54 115.31 115.24 3cxc h LEU 37 Ca -0.10 0.14 0.22 0.00 0.09 0.00 0.00 57.88 58.23 3cxc h LEU 37 Cb 0.76 0.42 -0.14 0.00 0.09 0.00 0.00 40.66 41.78 3cxc h LEU 37 CO 0.17 -0.37 0.19 0.00 0.09 0.00 0.00 178.44 178.51 3cxc h ALA 38 N 0.33 1.18 0.29 1.53 0.00 -1.27 0.43 119.26 121.76 3cxc h ALA 38 Ca 0.08 0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 3cxc h ALA 38 Cb 0.56 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.69 3cxc h ALA 38 CO -0.32 -0.46 -0.14 -0.22 0.00 0.00 0.00 179.25 178.11 3cxc h LYS 39 N 0.19 -0.38 0.00 0.00 3.64 -0.72 -0.44 116.57 118.86 3cxc h LYS 39 Ca 0.53 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.92 3cxc h LYS 39 Cb 1.04 0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.95 3cxc h LYS 39 CO -0.66 -0.04 -0.06 0.45 -2.27 0.00 0.00 179.45 176.87 3cxc h HIS 40 N -0.89 0.00 -0.45 1.91 3.86 -0.30 -2.79 115.15 116.49 3cxc h HIS 40 Ca -0.04 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.04 3cxc h HIS 40 Cb 0.51 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 28.91 3cxc h HIS 40 CO 0.04 0.06 0.08 1.19 0.86 0.00 0.00 177.93 180.16 3cxc n PHE 41 N -3.25 1.48 -3.68 2.45 3.01 0.14 -4.98 117.46 112.63 3cxc n PHE 41 Ca -0.01 -1.22 -0.25 0.00 1.01 0.00 0.00 57.45 56.98 3cxc n PHE 41 Cb 0.26 -0.49 0.01 0.00 -0.01 0.00 0.00 39.48 39.24 3cxc n PHE 41 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 3cxc n SER 42 N -0.63 -3.35 -3.96 4.37 7.64 -1.05 -4.95 113.62 111.69 3cxc n SER 42 Ca 0.32 -0.83 -0.09 0.00 1.01 0.00 0.00 58.87 59.27 3cxc n SER 42 Cb 1.10 -1.18 -0.07 0.00 -1.01 0.00 0.00 64.21 63.05 3cxc n SER 42 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3cxc s VAL 43 N -3.19 0.08 0.40 0.44 1.01 -0.18 -4.99 120.40 113.97 3cxc s VAL 43 Ca 0.14 -1.40 -0.22 0.00 0.00 0.00 0.00 61.98 60.50 3cxc s VAL 43 Cb -0.08 -1.79 -0.11 0.00 0.00 0.00 0.00 36.38 34.40 3cxc s VAL 43 CO 0.69 -0.36 0.94 -1.81 0.00 0.00 0.00 175.10 174.57 3cxc s ASP 44 N -2.96 7.03 0.38 3.32 1.11 -1.26 -4.45 116.67 119.84 3cxc s ASP 44 Ca 0.16 1.71 0.27 0.00 0.18 0.00 0.00 52.55 54.88 3cxc s ASP 44 Cb 0.04 -2.55 1.28 0.00 1.07 0.00 0.00 42.92 42.76 3cxc s ASP 44 CO -0.01 -0.29 1.83 -0.33 1.18 0.00 0.00 175.17 177.55 3cxc h GLU 45 N 2.21 0.00 0.00 8.23 5.08 -1.91 -1.08 114.58 127.10 3cxc h GLU 45 Ca -0.48 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 57.72 3cxc h GLU 45 Cb 1.18 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 3cxc h GLU 45 CO 0.62 0.00 -0.72 -0.44 -1.00 0.00 0.00 179.01 177.47 3cxc h ASP 46 N 0.00 0.00 0.74 1.42 3.32 -1.98 -3.22 116.42 116.70 3cxc h ASP 46 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3cxc h ASP 46 Cb 0.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.80 3cxc h ASP 46 CO 0.00 0.72 -0.23 0.00 -1.72 0.00 0.00 179.24 178.01 3cxc n ALA 47 N -2.33 2.90 -2.61 3.45 0.00 -0.42 -4.82 120.51 116.69 3cxc n ALA 47 Ca 0.00 -0.22 -0.42 0.00 0.00 0.00 0.00 53.44 52.80 3cxc n ALA 47 Cb 0.77 -1.31 -0.04 0.00 0.00 0.00 0.00 19.45 18.88 3cxc n ALA 47 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3cxc s VAL 48 N -2.97 4.67 -0.21 0.00 1.01 -1.18 -2.67 120.40 119.05 3cxc s VAL 48 Ca 0.13 1.23 -0.08 0.00 0.00 0.00 0.00 61.98 63.26 3cxc s VAL 48 Cb 0.18 -4.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 3cxc s VAL 48 CO 0.60 -0.41 0.07 -0.60 0.00 0.00 0.00 175.10 174.77 3cxc s ARG 49 N 3.26 3.86 -0.36 2.72 3.52 0.10 -4.99 118.95 127.06 3cxc s ARG 49 Ca 0.36 -0.39 -0.09 0.00 -0.13 0.00 0.00 55.73 55.48 3cxc s ARG 49 Cb -0.13 -3.28 0.03 0.00 -1.56 0.00 0.00 34.95 30.01 3cxc s ARG 49 CO 0.16 0.08 0.17 -0.51 -0.81 0.00 0.00 175.30 174.39 3cxc s LEU 50 N 0.91 4.57 0.28 -0.88 1.43 -1.26 -1.07 118.68 122.64 3cxc s LEU 50 Ca 0.04 -1.02 -0.30 0.00 -1.03 0.00 0.00 54.13 51.81 3cxc s LEU 50 Cb -0.14 -1.97 -0.13 0.00 0.03 0.00 0.00 46.19 43.98 3cxc s LEU 50 CO 0.03 -0.36 1.43 -0.67 0.23 0.00 0.00 176.35 177.01 3cxc n ASP 51 N 4.94 3.04 -0.47 2.29 -0.08 0.95 -4.78 116.55 122.43 3cxc n ASP 51 Ca -0.12 1.16 0.42 0.00 -1.51 0.00 0.00 54.79 54.74 3cxc n ASP 51 Cb 0.46 -1.48 0.70 0.00 2.34 0.00 0.00 41.12 43.13 3cxc n ASP 51 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3cxc h PRO 52 N 3.99 0.00 -0.67 -0.67 0.11 -1.97 0.51 132.00 133.30 3cxc h PRO 52 Ca -0.46 0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.71 3cxc h PRO 52 Cb 1.26 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.33 3cxc h PRO 52 CO 0.74 0.00 0.44 0.66 -0.21 0.00 0.00 178.00 179.63 3cxc h SER 53 N 0.00 0.61 -0.27 -2.05 4.64 -1.93 0.15 113.55 114.70 3cxc h SER 53 Ca 0.72 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.96 3cxc h SER 53 Cb 3.18 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 65.13 3cxc h SER 53 CO -0.01 0.40 -0.16 0.40 -0.87 0.00 0.00 176.83 176.59 3cxc h ILE 54 N 0.69 1.30 -0.10 0.95 2.04 -0.29 -2.52 117.51 119.58 3cxc h ILE 54 Ca 0.29 -1.27 0.01 0.00 1.00 0.00 0.00 64.86 64.89 3cxc h ILE 54 Cb 0.25 1.55 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 3cxc h ILE 54 CO -0.09 0.40 0.01 -1.13 0.00 0.00 0.00 178.15 177.33 3cxc h ASN 55 N 0.32 -0.02 0.37 1.72 -1.24 -1.25 -1.74 115.58 113.72 3cxc h ASN 55 Ca 0.06 0.02 -0.02 0.00 0.71 0.00 0.00 56.30 57.06 3cxc h ASN 55 Cb 0.68 0.03 -0.00 0.00 0.73 0.00 0.00 38.32 39.76 3cxc h ASN 55 CO 0.05 0.00 -0.12 -0.33 -1.29 0.00 0.00 177.43 175.74 3cxc h GLU 56 N 0.04 0.00 -0.01 6.67 5.08 -0.76 -0.88 114.58 124.72 3cxc h GLU 56 Ca 0.04 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 3cxc h GLU 56 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 3cxc h GLU 56 CO -0.07 0.12 -0.03 0.00 -1.00 0.00 0.00 179.01 178.03 3cxc h ALA 57 N 1.88 0.02 -0.42 3.43 0.00 -0.91 -1.62 119.26 121.66 3cxc h ALA 57 Ca -0.00 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 3cxc h ALA 57 Cb 0.33 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3cxc h ALA 57 CO 0.01 -0.17 0.07 0.00 0.00 0.00 0.00 179.25 179.17 3cxc h ALA 58 N 0.44 1.35 -0.32 0.00 0.00 -0.94 -2.37 119.26 117.42 3cxc h ALA 58 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3cxc h ALA 58 Cb 0.60 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3cxc h ALA 58 CO 0.01 0.46 0.00 0.91 0.00 0.00 0.00 179.25 180.62 3cxc n TRP 59 N -4.30 0.41 -0.19 0.00 7.02 -0.37 -4.60 117.44 115.41 3cxc n TRP 59 Ca 0.03 -0.21 -0.05 0.00 -1.02 0.00 0.00 57.50 56.25 3cxc n TRP 59 Cb 0.22 0.00 0.01 0.00 -2.42 0.00 0.00 31.31 29.12 3cxc n TRP 59 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3cxc h ALA 60 N 4.10 -0.03 -0.85 6.99 0.00 -0.73 -2.12 119.26 126.63 3cxc h ALA 60 Ca 0.00 0.16 -0.41 0.00 0.00 0.00 0.00 54.91 54.66 3cxc h ALA 60 Cb 0.65 0.75 -0.24 0.00 0.00 0.00 0.00 17.79 18.95 3cxc h ALA 60 CO 0.00 -0.66 0.52 0.54 0.00 0.00 0.00 179.25 179.64 3cxc n ARG 61 N -5.43 2.40 0.00 0.00 1.74 -1.26 -5.04 116.66 109.08 3cxc n ARG 61 Ca 0.04 -2.71 0.00 0.00 -0.77 0.00 0.00 57.85 54.41 3cxc n ARG 61 Cb 0.35 -2.07 0.00 0.00 -1.02 0.00 0.00 32.46 29.72 3cxc n ARG 61 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3cxc n GLY 62 N -0.79 1.09 0.28 -0.13 0.00 -0.80 -4.07 105.19 100.77 3cxc n GLY 62 Ca 0.50 -1.89 0.12 0.00 0.00 0.00 0.00 46.02 44.75 3cxc n GLY 62 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3cxc h ARG 63 N 0.00 0.00 0.00 1.61 2.43 -1.89 -3.09 114.38 113.43 3cxc h ARG 63 Ca 0.00 0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 58.95 3cxc h ARG 63 Cb 0.00 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.51 3cxc h ARG 63 CO 0.00 0.03 -1.71 0.00 -1.51 0.00 0.00 179.97 176.77 3cxc n ALA 64 N -2.41 1.84 -3.59 2.80 0.00 -1.26 -1.06 120.51 116.83 3cxc n ALA 64 Ca -0.03 -0.74 -0.40 0.00 0.00 0.00 0.00 53.44 52.28 3cxc n ALA 64 Cb 0.11 -0.77 -0.07 0.00 0.00 0.00 0.00 19.45 18.72 3cxc n ALA 64 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3cxc s ASN 65 N -5.67 5.74 -0.01 0.00 0.01 -1.17 -4.64 114.94 109.20 3cxc s ASN 65 Ca -0.05 -2.85 -0.02 0.00 -0.71 0.00 0.00 52.86 49.23 3cxc s ASN 65 Cb 0.08 -1.97 -0.04 0.00 0.41 0.00 0.00 41.25 39.74 3cxc s ASN 65 CO 0.83 -0.42 0.13 -0.89 -1.51 0.00 0.00 177.10 175.23 3cxc s THR 66 N -0.06 5.09 0.42 1.60 2.01 -1.26 -4.07 115.64 119.37 3cxc s THR 66 Ca 0.18 -0.26 -0.25 0.00 0.31 0.00 0.00 61.69 61.66 3cxc s THR 66 Cb -0.17 -3.35 -0.08 0.00 0.01 0.00 0.00 72.50 68.92 3cxc s THR 66 CO -0.05 0.36 1.29 -2.16 -0.69 0.00 0.00 174.62 173.36 3cxc s PRO 67 N -1.78 3.89 0.54 4.92 0.04 -1.26 -4.93 135.00 136.41 3cxc s PRO 67 Ca 0.24 2.12 0.30 0.00 0.04 0.00 0.00 61.00 63.70 3cxc s PRO 67 Cb -0.12 -2.69 1.52 0.00 0.04 0.00 0.00 34.50 33.26 3cxc s PRO 67 CO 0.15 -0.55 2.09 0.66 0.04 0.00 0.00 177.00 179.39 3cxc h SER 68 N 2.53 0.00 -3.95 6.66 4.64 -1.95 -3.43 113.55 118.05 3cxc h SER 68 Ca -0.50 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.49 3cxc h SER 68 Cb 1.25 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.26 3cxc h SER 68 CO 0.62 0.10 -0.31 0.29 -0.87 0.00 0.00 176.83 176.66 3cxc n LYS 69 N -3.52 0.41 -3.37 4.77 5.02 -1.26 0.64 118.16 120.86 3cxc n LYS 69 Ca -0.02 -2.23 0.02 0.00 -2.02 0.00 0.00 58.31 54.07 3cxc n LYS 69 Cb 0.23 1.62 -0.05 0.00 -0.02 0.00 0.00 35.03 36.81 3cxc n LYS 69 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 3cxc s ILE 70 N -2.78 -0.14 -0.16 -0.18 2.07 -0.78 -4.87 121.20 114.36 3cxc s ILE 70 Ca 0.22 0.00 -0.25 0.00 -1.41 0.00 0.00 60.65 59.21 3cxc s ILE 70 Cb 0.01 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.58 3cxc s ILE 70 CO 0.16 0.00 0.80 -0.13 -1.91 0.00 0.00 174.94 173.86 3cxc s ARG 71 N 1.85 4.31 -0.04 3.50 0.52 -1.26 -0.36 118.95 127.47 3cxc s ARG 71 Ca -0.03 0.97 0.03 0.00 -0.52 0.00 0.00 55.73 56.19 3cxc s ARG 71 Cb -0.02 -3.56 0.00 0.00 0.52 0.00 0.00 34.95 31.89 3cxc s ARG 71 CO -0.15 -0.27 -0.14 0.54 0.02 0.00 0.00 175.30 175.30 3cxc s VAL 72 N 1.96 1.17 -0.31 3.52 0.11 0.24 -3.65 120.40 123.44 3cxc s VAL 72 Ca 0.38 -0.57 -0.11 0.00 -2.93 0.00 0.00 61.98 58.75 3cxc s VAL 72 Cb -0.17 -1.02 -0.03 0.00 -1.53 0.00 0.00 36.38 33.63 3cxc s VAL 72 CO 0.13 0.35 0.20 -0.60 -3.33 0.00 0.00 175.10 171.85 3cxc s ARG 73 N 0.17 3.63 0.17 1.54 3.52 -0.14 0.05 118.95 127.89 3cxc s ARG 73 Ca -0.05 -0.54 0.09 0.00 -0.13 0.00 0.00 55.73 55.10 3cxc s ARG 73 Cb -0.11 -3.70 -0.04 0.00 -1.56 0.00 0.00 34.95 29.54 3cxc s ARG 73 CO 0.02 -0.34 -0.18 0.00 -0.81 0.00 0.00 175.30 173.99 3cxc s ALA 74 N 1.71 2.05 0.02 6.12 0.00 -0.55 -1.57 121.76 129.54 3cxc s ALA 74 Ca 0.06 -1.52 0.03 0.00 0.00 0.00 0.00 51.96 50.53 3cxc s ALA 74 Cb -0.17 -0.19 -0.01 0.00 0.00 0.00 0.00 23.12 22.75 3cxc s ALA 74 CO 0.10 0.23 -0.09 0.00 0.00 0.00 0.00 175.76 176.00 3cxc s ALA 75 N -2.11 0.70 -0.02 0.00 0.00 -0.48 -1.02 121.76 118.83 3cxc s ALA 75 Ca 0.17 -0.56 0.05 0.00 0.00 0.00 0.00 51.96 51.62 3cxc s ALA 75 Cb -0.05 -0.09 -0.03 0.00 0.00 0.00 0.00 23.12 22.95 3cxc s ALA 75 CO 0.07 0.11 -0.16 0.50 0.00 0.00 0.00 175.76 176.28 3cxc s ARG 76 N -0.83 2.35 0.00 0.00 3.52 -1.26 -1.70 118.95 121.03 3cxc s ARG 76 Ca -0.02 -0.80 0.00 0.00 -0.13 0.00 0.00 55.73 54.78 3cxc s ARG 76 Cb -0.06 -2.30 0.00 0.00 -1.56 0.00 0.00 34.95 31.03 3cxc s ARG 76 CO 0.00 0.59 0.00 1.97 -0.81 0.00 0.00 175.30 177.06 3cxc n PHE 77 N 2.06 0.00 0.00 5.12 1.16 -0.77 -4.71 117.46 120.32 3cxc n PHE 77 Ca -0.17 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.41 3cxc n PHE 77 Cb 0.52 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.39 3cxc n PHE 77 CO 0.00 0.00 0.00 -1.91 -1.87 0.00 0.00 176.76 172.98 3cxc n GLU 78 N 0.00 0.00 0.00 3.97 2.13 -1.26 -1.76 120.64 123.72 3cxc n GLU 78 Ca 0.00 0.00 0.08 0.00 0.66 0.00 0.00 57.16 57.90 3cxc n GLU 78 Cb 0.00 0.00 0.38 0.00 0.27 0.00 0.00 31.44 32.09 3cxc n GLU 78 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 3cxc n GLU 79 N -1.73 0.10 0.00 5.31 -0.00 -1.26 -3.26 120.64 119.80 3cxc n GLU 79 Ca 0.00 0.18 0.00 0.00 -0.00 0.00 0.00 57.16 57.34 3cxc n GLU 79 Cb 0.00 -1.50 0.00 0.00 -0.00 0.00 0.00 31.44 29.94 3cxc n GLU 79 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 3cxc n GLU 80 N -1.41 3.11 -0.19 3.44 2.13 -1.26 -5.11 120.64 121.34 3cxc n GLU 80 Ca 0.06 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.88 3cxc n GLU 80 Cb 0.17 -0.72 0.00 0.00 0.27 0.00 0.00 31.44 31.16 3cxc n GLU 80 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3cxc n GLY 81 N 1.61 -0.66 3.79 8.31 0.00 -1.20 -5.01 105.19 112.03 3cxc n GLY 81 Ca 0.00 -1.04 -0.05 0.00 0.00 0.00 0.00 46.02 44.92 3cxc n GLY 81 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3cxc s GLU 82 N -3.12 1.45 -0.03 1.61 -1.05 -0.72 -4.79 118.70 112.05 3cxc s GLU 82 Ca 0.00 -0.79 0.02 0.00 -0.15 0.00 0.00 54.97 54.04 3cxc s GLU 82 Cb 0.00 0.50 0.01 0.00 -0.44 0.00 0.00 34.13 34.20 3cxc s GLU 82 CO 0.00 -0.66 -0.05 0.00 0.95 0.00 0.00 175.26 175.49 3cxc s ALA 83 N -3.56 0.62 -0.08 -0.84 0.00 -1.09 -1.85 121.76 114.96 3cxc s ALA 83 Ca 0.11 -0.15 0.02 0.00 0.00 0.00 0.00 51.96 51.95 3cxc s ALA 83 Cb -0.03 -0.30 -0.02 0.00 0.00 0.00 0.00 23.12 22.77 3cxc s ALA 83 CO 0.04 0.06 -0.13 0.42 0.00 0.00 0.00 175.76 176.14 3cxc s ILE 84 N 0.44 3.09 0.12 0.00 1.01 -0.69 -0.72 121.20 124.44 3cxc s ILE 84 Ca -0.06 -0.69 0.00 0.00 0.00 0.00 0.00 60.65 59.91 3cxc s ILE 84 Cb -0.09 -2.24 -0.04 0.00 0.01 0.00 0.00 42.46 40.09 3cxc s ILE 84 CO 0.00 0.57 -0.01 -0.69 0.00 0.00 0.00 174.94 174.81 3cxc s VAL 85 N -0.34 0.44 0.25 2.92 1.01 -0.24 -1.38 120.40 123.07 3cxc s VAL 85 Ca 0.03 -1.92 -0.22 0.00 0.00 0.00 0.00 61.98 59.88 3cxc s VAL 85 Cb -0.13 -1.86 0.03 0.00 0.00 0.00 0.00 36.38 34.42 3cxc s VAL 85 CO 0.02 -0.69 0.71 -1.83 0.00 0.00 0.00 175.10 173.32 3cxc s GLU 86 N -3.93 1.66 1.40 2.72 -1.05 -0.61 -0.04 118.70 118.86 3cxc s GLU 86 Ca 0.17 -0.88 -0.21 0.00 -0.15 0.00 0.00 54.97 53.90 3cxc s GLU 86 Cb 0.07 0.59 0.36 0.00 -0.44 0.00 0.00 34.13 34.71 3cxc s GLU 86 CO -0.02 -0.76 0.93 0.00 0.95 0.00 0.00 175.26 176.37 3cxc s ALA 87 N -3.85 -0.83 0.00 -0.84 0.00 -1.26 -0.97 121.76 114.00 3cxc s ALA 87 Ca 0.09 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.36 3cxc s ALA 87 Cb -0.05 -3.00 0.00 0.00 0.00 0.00 0.00 23.12 20.07 3cxc s ALA 87 CO 0.03 -4.58 0.04 0.39 0.00 0.00 0.00 175.76 171.65