#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k73 s TRP 2 N 0.00 3.61 0.21 0.66 1.48 -1.26 -5.07 118.94 118.57 1k73 s TRP 2 Ca 0.00 1.48 -0.10 0.00 -1.06 0.00 0.00 56.10 56.42 1k73 s TRP 2 Cb 0.00 -2.70 -0.07 0.00 -1.16 0.00 0.00 33.47 29.54 1k73 s TRP 2 CO 0.00 0.25 0.54 -0.51 -4.06 0.00 0.00 176.95 173.17 1k73 s ASP 3 N -1.75 6.66 -0.01 -2.66 1.01 -1.26 -5.04 116.67 113.63 1k73 s ASP 3 Ca 0.47 0.94 -0.22 0.00 0.71 0.00 0.00 52.55 54.46 1k73 s ASP 3 Cb -0.16 -2.24 -0.13 0.00 1.01 0.00 0.00 42.92 41.41 1k73 s ASP 3 CO 0.21 -0.03 0.94 0.58 0.21 0.00 0.00 175.17 177.07 1k73 h VAL 4 N 2.17 0.20 -3.49 -1.27 2.07 -1.96 -3.40 116.25 110.57 1k73 h VAL 4 Ca -0.47 -0.53 -0.53 0.00 0.82 0.00 0.00 66.70 65.99 1k73 h VAL 4 Cb 1.17 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 1k73 h VAL 4 CO 0.68 0.04 0.21 -0.63 0.02 0.00 0.00 177.57 177.90 1k73 s ILE 5 N -4.09 4.58 -0.27 4.57 1.01 -1.26 -1.38 121.20 124.35 1k73 s ILE 5 Ca -0.12 1.75 -0.13 0.00 0.00 0.00 0.00 60.65 62.16 1k73 s ILE 5 Cb 0.01 -4.17 -0.12 0.00 0.01 0.00 0.00 42.46 38.19 1k73 s ILE 5 CO 0.38 0.39 -0.35 0.29 0.00 0.00 0.00 174.94 175.66 1k73 n LYS 6 N 2.49 0.58 0.00 2.79 5.02 0.58 -4.91 118.16 124.71 1k73 n LYS 6 Ca -0.02 0.25 0.00 0.00 -2.02 0.00 0.00 58.31 56.52 1k73 n LYS 6 Cb 0.50 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 34.03 1k73 n LYS 6 CO 0.00 0.00 0.00 -2.39 -0.52 0.00 0.00 177.40 174.49 1k73 n HIS 7 N -4.16 0.00 -2.24 2.13 1.44 -1.08 -4.99 115.22 106.31 1k73 n HIS 7 Ca -0.53 0.00 -0.41 0.00 -2.01 0.00 0.00 57.72 54.76 1k73 n HIS 7 Cb 0.89 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.97 1k73 n HIS 7 CO 0.00 0.00 0.00 -2.14 -2.81 0.00 0.00 176.34 171.39 1k73 s PRO 8 N -2.00 4.41 -0.60 -1.40 0.02 -1.26 -0.31 135.00 133.86 1k73 s PRO 8 Ca 0.00 2.04 -0.20 0.00 0.02 0.00 0.00 61.00 62.85 1k73 s PRO 8 Cb 0.00 -3.18 0.09 0.00 0.02 0.00 0.00 34.50 31.42 1k73 s PRO 8 CO 0.00 -0.19 0.78 -1.58 -0.33 0.00 0.00 177.00 175.68 1k73 s HIS 9 N -0.16 2.90 -0.35 6.54 2.46 0.28 -4.79 115.29 122.17 1k73 s HIS 9 Ca 0.54 -0.76 -0.08 0.00 0.47 0.00 0.00 55.06 55.23 1k73 s HIS 9 Cb -0.36 -4.05 0.03 0.00 -0.13 0.00 0.00 32.58 28.08 1k73 s HIS 9 CO 0.40 -1.37 0.14 0.54 -2.47 0.00 0.00 174.74 171.98 1k73 s VAL 10 N 3.14 4.10 0.17 0.89 0.11 -1.26 -4.59 120.40 122.96 1k73 s VAL 10 Ca 0.16 -1.00 -0.09 0.00 -2.93 0.00 0.00 61.98 58.11 1k73 s VAL 10 Cb -0.21 -3.30 -0.01 0.00 -1.53 0.00 0.00 36.38 31.34 1k73 s VAL 10 CO 0.08 -0.18 0.30 0.42 -3.33 0.00 0.00 175.10 172.39 1k73 s THR 11 N 1.47 0.06 0.22 5.04 -4.23 -1.26 -5.00 115.64 111.94 1k73 s THR 11 Ca -0.00 -1.35 -0.14 0.00 -1.18 0.00 0.00 61.69 59.03 1k73 s THR 11 Cb -0.19 -1.82 0.26 0.00 1.34 0.00 0.00 72.50 72.09 1k73 s THR 11 CO 0.04 -0.29 1.60 -0.33 -0.54 0.00 0.00 174.62 175.11 1k73 h GLU 12 N 2.52 -0.03 -0.66 3.99 3.07 -1.99 0.31 114.58 121.79 1k73 h GLU 12 Ca -0.31 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.53 1k73 h GLU 12 Cb 1.23 0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 29.11 1k73 h GLU 12 CO 0.48 -0.02 0.34 -0.22 -1.40 0.00 0.00 179.01 178.19 1k73 h LYS 13 N -0.03 0.91 -0.08 2.33 3.64 -1.99 -1.55 116.57 119.81 1k73 h LYS 13 Ca 0.33 -0.11 -0.08 0.00 -1.27 0.00 0.00 60.65 59.52 1k73 h LYS 13 Cb 0.54 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 1k73 h LYS 13 CO -0.74 0.69 -0.34 0.00 -2.27 0.00 0.00 179.45 176.79 1k73 h ALA 14 N 1.46 1.29 -0.20 5.00 0.00 -0.76 -2.37 119.26 123.68 1k73 h ALA 14 Ca 0.23 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1k73 h ALA 14 Cb 0.05 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1k73 h ALA 14 CO -0.03 0.50 -0.07 0.52 0.00 0.00 0.00 179.25 180.16 1k73 h MET 15 N 0.13 0.40 -0.79 0.00 2.86 -0.15 -2.03 114.93 115.35 1k73 h MET 15 Ca 0.02 -0.16 0.05 0.00 -2.06 0.00 0.00 59.70 57.54 1k73 h MET 15 Cb 0.67 -0.02 -0.05 0.00 0.06 0.00 0.00 31.60 32.25 1k73 h MET 15 CO 0.05 0.67 0.49 -0.91 1.06 0.00 0.00 176.91 178.27 1k73 h ASN 16 N 0.11 0.78 -0.47 1.22 2.35 -1.13 0.34 115.58 118.78 1k73 h ASN 16 Ca 0.05 0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.77 1k73 h ASN 16 Cb 0.53 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.72 1k73 h ASN 16 CO 0.02 0.51 0.15 0.44 -1.65 0.00 0.00 177.43 176.90 1k73 h ASP 17 N 0.92 0.73 -0.03 5.81 5.19 -1.35 0.30 116.42 127.98 1k73 h ASP 17 Ca 0.34 -0.12 -0.03 0.00 -0.62 0.00 0.00 57.03 56.60 1k73 h ASP 17 Cb 0.11 -0.19 0.00 0.00 0.18 0.00 0.00 39.33 39.43 1k73 h ASP 17 CO -0.15 0.70 -0.08 -0.03 -3.12 0.00 0.00 179.24 176.56 1k73 h MET 18 N 0.76 0.11 -0.17 3.56 4.05 -0.46 0.54 114.93 123.33 1k73 h MET 18 Ca 0.17 -0.08 -0.21 0.00 -0.28 0.00 0.00 59.70 59.31 1k73 h MET 18 Cb 0.25 0.01 0.01 0.00 -0.80 0.00 0.00 31.60 31.07 1k73 h MET 18 CO -0.01 0.68 -0.71 -0.44 0.23 0.00 0.00 176.91 176.66 1k73 h ASP 19 N -0.45 0.87 0.00 1.39 3.32 -0.30 -3.07 116.42 118.19 1k73 h ASP 19 Ca -0.00 -0.54 0.00 0.00 0.02 0.00 0.00 57.03 56.50 1k73 h ASP 19 Cb 0.69 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.98 1k73 h ASP 19 CO 0.02 1.33 -1.76 0.49 -1.72 0.00 0.00 179.24 177.60 1k73 n PHE 20 N -3.94 0.00 -0.38 4.55 0.99 0.11 -4.64 117.46 114.14 1k73 n PHE 20 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.39 1k73 n PHE 20 Cb 0.71 -0.38 0.00 0.00 -1.00 0.00 0.00 39.48 38.81 1k73 n PHE 20 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1k73 n GLN 21 N -2.08 0.45 -3.24 -1.08 6.02 0.09 -5.02 117.38 112.53 1k73 n GLN 21 Ca -0.02 -0.66 -0.23 0.00 -0.01 0.00 0.00 57.00 56.09 1k73 n GLN 21 Cb 0.51 -0.81 0.05 0.00 1.02 0.00 0.00 30.24 31.02 1k73 n GLN 21 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1k73 n ASN 22 N -0.13 -6.15 -4.55 1.08 5.15 -0.67 -4.79 115.26 105.19 1k73 n ASN 22 Ca 0.00 -0.38 -0.30 0.00 -0.60 0.00 0.00 54.58 53.29 1k73 n ASN 22 Cb 0.20 -4.89 -0.11 0.00 -0.53 0.00 0.00 39.78 34.46 1k73 n ASN 22 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1k73 s LYS 23 N -5.93 2.15 -0.04 1.20 1.02 -0.82 -1.33 119.74 115.98 1k73 s LYS 23 Ca 0.41 -0.99 0.06 0.00 0.02 0.00 0.00 55.97 55.47 1k73 s LYS 23 Cb -0.18 -2.29 -0.02 0.00 -0.52 0.00 0.00 37.83 34.81 1k73 s LYS 23 CO 0.51 0.52 -0.22 -0.51 -0.92 0.00 0.00 175.35 174.74 1k73 s LEU 24 N -1.95 2.30 -0.10 3.17 1.43 0.29 -2.95 118.68 120.87 1k73 s LEU 24 Ca 0.19 -0.39 -0.00 0.00 -1.03 0.00 0.00 54.13 52.91 1k73 s LEU 24 Cb -0.11 -1.43 -0.03 0.00 0.03 0.00 0.00 46.19 44.66 1k73 s LEU 24 CO 0.11 0.31 -0.09 -1.10 0.23 0.00 0.00 176.35 175.81 1k73 s GLN 25 N -0.51 3.08 0.13 1.70 -0.21 -1.26 -0.11 119.66 122.47 1k73 s GLN 25 Ca 0.07 -0.60 0.04 0.00 0.02 0.00 0.00 55.36 54.89 1k73 s GLN 25 Cb -0.11 -2.64 -0.04 0.00 1.00 0.00 0.00 33.01 31.21 1k73 s GLN 25 CO 0.01 0.45 -0.10 -0.06 -2.12 0.00 0.00 175.29 173.47 1k73 s PHE 26 N -0.25 1.21 -0.31 0.91 0.40 -0.12 -0.56 117.98 119.24 1k73 s PHE 26 Ca 0.03 -0.72 -0.11 0.00 -0.60 0.00 0.00 56.93 55.53 1k73 s PHE 26 Cb -0.13 -0.63 -0.02 0.00 0.51 0.00 0.00 43.02 42.75 1k73 s PHE 26 CO 0.03 0.05 0.19 0.00 0.70 0.00 0.00 175.22 176.19 1k73 s ALA 27 N -3.01 3.40 0.38 5.36 0.00 0.58 -1.67 121.76 126.80 1k73 s ALA 27 Ca 0.13 -1.32 0.08 0.00 0.00 0.00 0.00 51.96 50.85 1k73 s ALA 27 Cb 0.01 -2.49 -0.07 0.00 0.00 0.00 0.00 23.12 20.57 1k73 s ALA 27 CO 0.00 -0.85 0.00 0.14 0.00 0.00 0.00 175.76 175.06 1k73 s VAL 28 N 1.68 2.17 0.16 0.00 -7.23 -0.05 -0.31 120.40 116.82 1k73 s VAL 28 Ca 0.06 -2.01 -0.30 0.00 -1.81 0.00 0.00 61.98 57.91 1k73 s VAL 28 Cb -0.17 -2.88 -0.08 0.00 0.56 0.00 0.00 36.38 33.81 1k73 s VAL 28 CO 0.09 -0.08 1.30 -0.62 -0.31 0.00 0.00 175.10 175.48 1k73 s ASP 29 N -3.71 6.92 0.00 4.85 -1.08 -0.48 -3.19 116.67 119.98 1k73 s ASP 29 Ca 0.35 2.31 0.06 0.00 -0.52 0.00 0.00 52.55 54.75 1k73 s ASP 29 Cb 0.06 -2.60 0.34 0.00 -1.46 0.00 0.00 42.92 39.26 1k73 s ASP 29 CO 0.18 -0.54 0.90 -0.90 0.52 0.00 0.00 175.17 175.34 1k73 n ASP 30 N 3.14 0.00 -0.32 -0.34 5.75 -1.26 -1.17 116.55 122.35 1k73 n ASP 30 Ca 0.08 -0.05 0.11 0.00 -0.01 0.00 0.00 54.79 54.92 1k73 n ASP 30 Cb 0.43 -0.10 0.08 0.00 -1.03 0.00 0.00 41.12 40.51 1k73 n ASP 30 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1k73 n ARG 31 N -1.10 0.83 -2.83 0.11 1.74 -1.26 -4.93 116.66 109.22 1k73 n ARG 31 Ca 0.04 -0.64 -0.41 0.00 -0.77 0.00 0.00 57.85 56.08 1k73 n ARG 31 Cb 0.03 -1.49 -0.04 0.00 -1.02 0.00 0.00 32.46 29.94 1k73 n ARG 31 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1k73 s ALA 32 N -2.61 3.26 0.61 7.54 0.00 -0.32 -5.07 121.76 125.16 1k73 s ALA 32 Ca 0.17 0.43 -0.06 0.00 0.00 0.00 0.00 51.96 52.50 1k73 s ALA 32 Cb 0.18 -3.18 0.01 0.00 0.00 0.00 0.00 23.12 20.13 1k73 s ALA 32 CO 0.62 -0.09 0.92 -1.54 0.00 0.00 0.00 175.76 175.67 1k73 s SER 33 N 0.46 5.50 0.24 0.00 1.04 -1.26 -4.89 113.70 114.79 1k73 s SER 33 Ca 0.45 0.70 -0.05 0.00 0.48 0.00 0.00 55.95 57.54 1k73 s SER 33 Cb -0.21 -1.65 0.39 0.00 0.10 0.00 0.00 66.02 64.66 1k73 s SER 33 CO 0.26 -1.13 1.80 0.11 0.98 0.00 0.00 173.24 175.25 1k73 h LYS 34 N -0.24 0.72 -0.33 4.02 1.57 -1.97 -0.18 116.57 120.16 1k73 h LYS 34 Ca -0.45 -0.04 0.03 0.00 -1.87 0.00 0.00 60.65 58.31 1k73 h LYS 34 Cb 1.26 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 33.38 1k73 h LYS 34 CO 0.61 0.48 0.14 0.78 -0.57 0.00 0.00 179.45 180.88 1k73 h GLY 35 N 0.74 0.42 1.03 3.86 0.00 -1.97 0.17 103.07 107.32 1k73 h GLY 35 Ca 0.39 -0.09 -0.05 0.00 0.00 0.00 0.00 47.33 47.58 1k73 h GLY 35 CO -0.26 0.06 0.24 0.83 0.00 0.00 0.00 176.54 177.40 1k73 h GLU 36 N 0.29 1.05 -0.61 4.80 5.08 -1.77 -1.46 114.58 121.96 1k73 h GLU 36 Ca 0.14 -0.21 -0.05 0.00 -1.00 0.00 0.00 59.36 58.24 1k73 h GLU 36 Cb 0.09 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 1k73 h GLU 36 CO -0.12 0.90 0.21 0.28 -1.00 0.00 0.00 179.01 179.27 1k73 h VAL 37 N 0.99 1.24 -0.06 3.13 2.07 -0.55 -0.20 116.25 122.89 1k73 h VAL 37 Ca 0.22 -0.80 -0.00 0.00 0.82 0.00 0.00 66.70 66.94 1k73 h VAL 37 Cb 0.27 0.61 -0.00 0.00 -1.52 0.00 0.00 31.29 30.65 1k73 h VAL 37 CO -0.01 0.31 0.03 0.00 0.02 0.00 0.00 177.57 177.92 1k73 h ALA 38 N 1.07 0.07 0.78 1.67 0.00 -0.31 -1.59 119.26 120.95 1k73 h ALA 38 Ca 0.20 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1k73 h ALA 38 Cb 0.27 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.04 1k73 h ALA 38 CO -0.01 -0.41 -0.37 -0.44 0.00 0.00 0.00 179.25 178.02 1k73 h ASP 39 N 0.03 -0.88 -0.79 0.00 3.32 -1.11 -2.06 116.42 114.93 1k73 h ASP 39 Ca 0.02 0.01 0.19 0.00 0.02 0.00 0.00 57.03 57.27 1k73 h ASP 39 Cb 0.04 0.23 -0.14 0.00 0.22 0.00 0.00 39.33 39.68 1k73 h ASP 39 CO -0.00 -0.57 0.03 0.00 -1.72 0.00 0.00 179.24 176.97 1k73 h ALA 40 N -1.00 0.87 -0.59 3.45 0.00 -1.01 -0.69 119.26 120.29 1k73 h ALA 40 Ca -0.11 0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1k73 h ALA 40 Cb 0.81 0.43 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 1k73 h ALA 40 CO 0.17 -0.44 0.37 0.28 0.00 0.00 0.00 179.25 179.64 1k73 h VAL 41 N 0.11 1.16 -0.33 0.00 2.07 -1.12 -1.98 116.25 116.15 1k73 h VAL 41 Ca 0.44 -0.32 -0.03 0.00 0.82 0.00 0.00 66.70 67.61 1k73 h VAL 41 Cb 0.81 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 1k73 h VAL 41 CO -0.69 0.16 0.10 -0.33 0.02 0.00 0.00 177.57 176.83 1k73 h GLU 42 N 0.80 0.52 0.00 1.57 5.08 -0.42 -2.11 114.58 120.02 1k73 h GLU 42 Ca 0.21 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 58.42 1k73 h GLU 42 Cb -0.06 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 1k73 h GLU 42 CO -0.04 0.56 -0.18 0.93 -1.00 0.00 0.00 179.01 179.27 1k73 h GLU 43 N 0.38 0.00 0.05 2.33 5.08 -1.19 0.46 114.58 121.69 1k73 h GLU 43 Ca 0.11 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.17 1k73 h GLU 43 Cb 0.25 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 1k73 h GLU 43 CO -0.00 0.18 -1.63 1.96 -1.00 0.00 0.00 179.01 178.52 1k73 h GLN 44 N 0.00 0.10 -0.01 2.33 1.08 -1.22 -3.39 115.11 114.00 1k73 h GLN 44 Ca -0.00 -0.18 0.00 0.00 -1.45 0.00 0.00 58.65 57.02 1k73 h GLN 44 Cb 0.41 0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.91 1k73 h GLN 44 CO 0.02 0.82 0.00 0.66 -0.95 0.00 0.00 178.83 179.38 1k73 n TYR 45 N -3.25 0.01 -3.27 2.96 4.02 -0.80 -5.04 117.16 111.78 1k73 n TYR 45 Ca -0.17 -0.02 -0.10 0.00 -0.01 0.00 0.00 57.90 57.60 1k73 n TYR 45 Cb 1.04 -0.00 0.02 0.00 -0.02 0.00 0.00 39.34 40.37 1k73 n TYR 45 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1k73 n ASP 46 N 0.20 -6.89 -3.48 7.72 -0.08 0.16 -5.03 116.55 109.16 1k73 n ASP 46 Ca 0.02 -0.42 -0.16 0.00 -1.51 0.00 0.00 54.79 52.72 1k73 n ASP 46 Cb 0.11 -4.53 -0.07 0.00 2.34 0.00 0.00 41.12 38.96 1k73 n ASP 46 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 1k73 s VAL 47 N -3.12 0.00 -0.29 5.18 -7.23 -1.20 -5.07 120.40 108.67 1k73 s VAL 47 Ca 0.13 -1.85 -0.04 0.00 -1.81 0.00 0.00 61.98 58.42 1k73 s VAL 47 Cb -0.03 -2.53 0.03 0.00 0.56 0.00 0.00 36.38 34.41 1k73 s VAL 47 CO 0.78 0.00 0.02 -0.89 -0.31 0.00 0.00 175.10 174.70 1k73 s THR 48 N -3.46 3.34 -0.24 5.32 2.01 -1.26 -4.63 115.64 116.72 1k73 s THR 48 Ca 0.36 -1.03 -0.27 0.00 0.31 0.00 0.00 61.69 61.06 1k73 s THR 48 Cb 0.02 -2.78 0.01 0.00 0.01 0.00 0.00 72.50 69.75 1k73 s THR 48 CO 0.22 0.04 0.97 -0.69 -0.69 0.00 0.00 174.62 174.47 1k73 s VAL 49 N 1.37 4.72 -0.12 3.82 1.01 -1.26 -1.30 120.40 128.64 1k73 s VAL 49 Ca -0.01 1.84 -0.06 0.00 0.00 0.00 0.00 61.98 63.75 1k73 s VAL 49 Cb -0.18 -4.25 -0.26 0.00 0.00 0.00 0.00 36.38 31.69 1k73 s VAL 49 CO -0.01 -0.17 0.38 -0.62 0.00 0.00 0.00 175.10 174.68 1k73 n GLU 50 N 6.25 0.75 -3.62 2.72 -0.58 0.39 -4.91 120.64 121.65 1k73 n GLU 50 Ca 0.10 0.26 -0.16 0.00 -0.42 0.00 0.00 57.16 56.94 1k73 n GLU 50 Cb 0.47 -1.71 -0.07 0.00 -0.57 0.00 0.00 31.44 29.55 1k73 n GLU 50 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 1k73 s GLN 51 N -2.56 0.90 -0.04 3.49 0.74 -1.11 -5.00 119.66 116.08 1k73 s GLN 51 Ca -0.22 0.10 0.02 0.00 0.05 0.00 0.00 55.36 55.31 1k73 s GLN 51 Cb 0.07 0.42 0.01 0.00 1.10 0.00 0.00 33.01 34.60 1k73 s GLN 51 CO 0.77 -0.27 -0.09 0.08 -0.55 0.00 0.00 175.29 175.24 1k73 s VAL 52 N -1.21 0.82 -0.05 1.34 1.01 -1.26 -0.74 120.40 120.32 1k73 s VAL 52 Ca -0.12 -0.34 0.05 0.00 0.00 0.00 0.00 61.98 61.58 1k73 s VAL 52 Cb -0.02 -0.76 -0.01 0.00 0.00 0.00 0.00 36.38 35.59 1k73 s VAL 52 CO 0.08 0.27 -0.22 0.20 0.00 0.00 0.00 175.10 175.43 1k73 s ASN 53 N 0.49 2.69 0.32 3.32 0.02 -0.42 -4.96 114.94 116.40 1k73 s ASN 53 Ca -0.08 -0.45 0.11 0.00 -1.02 0.00 0.00 52.86 51.42 1k73 s ASN 53 Cb -0.12 -0.73 -0.06 0.00 0.02 0.00 0.00 41.25 40.37 1k73 s ASN 53 CO 0.01 0.21 -0.13 0.42 0.02 0.00 0.00 177.10 177.63 1k73 s THR 54 N -0.10 2.37 -0.24 1.60 -4.23 -1.26 0.06 115.64 113.84 1k73 s THR 54 Ca -0.03 -2.28 -0.17 0.00 -1.18 0.00 0.00 61.69 58.03 1k73 s THR 54 Cb -0.13 -2.51 0.07 0.00 1.34 0.00 0.00 72.50 71.27 1k73 s THR 54 CO 0.03 -0.29 0.61 -1.58 -0.54 0.00 0.00 174.62 172.85 1k73 s GLN 55 N -3.57 0.66 -0.43 3.99 0.74 0.28 -4.97 119.66 116.35 1k73 s GLN 55 Ca 0.32 1.00 -0.20 0.00 0.05 0.00 0.00 55.36 56.53 1k73 s GLN 55 Cb -0.01 0.19 0.02 0.00 1.10 0.00 0.00 33.01 34.32 1k73 s GLN 55 CO 0.16 -0.13 0.60 -0.80 -0.55 0.00 0.00 175.29 174.58 1k73 s ASN 56 N 1.08 6.30 0.59 6.67 0.01 -1.26 0.09 114.94 128.42 1k73 s ASN 56 Ca -0.06 -0.39 -0.12 0.00 -0.71 0.00 0.00 52.86 51.58 1k73 s ASN 56 Cb -0.05 -2.30 -0.05 0.00 0.41 0.00 0.00 41.25 39.26 1k73 s ASN 56 CO -0.10 -0.74 1.00 -0.89 -1.51 0.00 0.00 177.10 174.86 1k73 s THR 57 N 2.68 4.69 -1.15 1.60 2.01 0.56 -4.94 115.64 121.09 1k73 s THR 57 Ca 0.21 0.89 0.00 0.00 0.31 0.00 0.00 61.69 63.10 1k73 s THR 57 Cb -0.15 -3.84 0.00 0.00 0.01 0.00 0.00 72.50 68.52 1k73 s THR 57 CO 0.18 -1.04 0.51 0.23 -0.69 0.00 0.00 174.62 173.81 1k73 n MET 58 N -2.48 0.89 0.00 4.92 2.81 -1.26 -1.51 117.12 120.48 1k73 n MET 58 Ca 0.06 0.00 0.05 0.00 -1.81 0.00 0.00 57.70 56.00 1k73 n MET 58 Cb 0.54 -1.38 -0.04 0.00 -0.71 0.00 0.00 33.22 31.63 1k73 n MET 58 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1k73 n ASP 59 N -0.03 0.73 0.00 7.83 10.43 -1.26 -4.97 116.55 129.28 1k73 n ASP 59 Ca 0.00 -0.86 0.00 0.00 2.57 0.00 0.00 54.79 56.50 1k73 n ASP 59 Cb 0.19 0.85 0.00 0.00 1.84 0.00 0.00 41.12 44.00 1k73 n ASP 59 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1k73 n GLY 60 N 1.17 0.61 3.79 0.44 0.00 -0.57 -5.06 105.19 105.57 1k73 n GLY 60 Ca 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 1k73 n GLY 60 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1k73 s GLU 61 N -0.80 2.43 -0.11 1.61 2.02 -1.26 -4.92 118.70 117.68 1k73 s GLU 61 Ca 0.00 -1.58 -0.05 0.00 0.02 0.00 0.00 54.97 53.36 1k73 s GLU 61 Cb 0.00 -2.23 -0.04 0.00 0.10 0.00 0.00 34.13 31.97 1k73 s GLU 61 CO 0.00 -0.03 0.07 0.21 0.02 0.00 0.00 175.26 175.53 1k73 s LYS 62 N -3.96 3.27 -0.06 1.61 2.20 -1.19 -0.32 119.74 121.27 1k73 s LYS 62 Ca 0.42 -0.27 0.05 0.00 -0.36 0.00 0.00 55.97 55.81 1k73 s LYS 62 Cb -0.02 -3.01 -0.01 0.00 -1.51 0.00 0.00 37.83 33.28 1k73 s LYS 62 CO 0.25 0.71 -0.21 0.21 -0.36 0.00 0.00 175.35 175.94 1k73 s LYS 63 N -0.86 2.62 -0.08 4.03 2.20 0.11 -0.87 119.74 126.89 1k73 s LYS 63 Ca 0.13 -0.84 0.03 0.00 -0.36 0.00 0.00 55.97 54.93 1k73 s LYS 63 Cb -0.12 -2.26 0.01 0.00 -1.51 0.00 0.00 37.83 33.95 1k73 s LYS 63 CO 0.03 0.42 -0.17 0.00 -0.36 0.00 0.00 175.35 175.27 1k73 s ALA 64 N -0.24 1.65 -0.47 3.13 0.00 -0.67 -0.55 121.76 124.61 1k73 s ALA 64 Ca -0.01 -0.66 -0.12 0.00 0.00 0.00 0.00 51.96 51.17 1k73 s ALA 64 Cb -0.13 -0.69 0.10 0.00 0.00 0.00 0.00 23.12 22.39 1k73 s ALA 64 CO 0.03 0.15 0.36 0.08 0.00 0.00 0.00 175.76 176.38 1k73 s VAL 65 N 0.59 4.67 -0.27 0.00 1.01 0.11 -0.95 120.40 125.56 1k73 s VAL 65 Ca -0.15 -1.44 -0.09 0.00 0.00 0.00 0.00 61.98 60.30 1k73 s VAL 65 Cb -0.16 -3.92 -0.03 0.00 0.00 0.00 0.00 36.38 32.26 1k73 s VAL 65 CO 0.05 -0.67 0.14 -0.69 0.00 0.00 0.00 175.10 173.93 1k73 s VAL 66 N 1.50 4.82 -0.13 2.92 1.01 0.84 -1.30 120.40 130.05 1k73 s VAL 66 Ca 0.04 -0.06 -0.13 0.00 0.00 0.00 0.00 61.98 61.83 1k73 s VAL 66 Cb -0.26 -3.31 -0.05 0.00 0.00 0.00 0.00 36.38 32.77 1k73 s VAL 66 CO 0.03 0.25 0.28 -0.60 0.00 0.00 0.00 175.10 175.05 1k73 s ARG 67 N 1.68 4.07 0.37 2.72 3.52 0.08 0.10 118.95 131.50 1k73 s ARG 67 Ca 0.06 0.09 0.04 0.00 -0.13 0.00 0.00 55.73 55.79 1k73 s ARG 67 Cb -0.16 -3.36 -0.01 0.00 -1.56 0.00 0.00 34.95 29.87 1k73 s ARG 67 CO 0.07 0.40 0.54 -0.51 -0.81 0.00 0.00 175.30 174.99 1k73 s LEU 68 N -0.01 3.88 0.59 -0.88 1.43 -0.44 -0.46 118.68 122.78 1k73 s LEU 68 Ca 0.17 0.02 -0.14 0.00 -1.03 0.00 0.00 54.13 53.15 1k73 s LEU 68 Cb -0.13 -2.93 -0.04 0.00 0.03 0.00 0.00 46.19 43.12 1k73 s LEU 68 CO 0.05 -0.51 1.03 -0.94 0.23 0.00 0.00 176.35 176.22 1k73 s SER 69 N -4.17 6.04 0.61 2.29 1.04 -0.42 -4.66 113.70 114.42 1k73 s SER 69 Ca 0.45 1.65 0.27 0.00 0.48 0.00 0.00 55.95 58.80 1k73 s SER 69 Cb -0.10 -2.51 1.50 0.00 0.10 0.00 0.00 66.02 65.01 1k73 s SER 69 CO 0.34 -0.99 1.83 -0.33 0.98 0.00 0.00 173.24 175.06 1k73 h GLU 70 N 0.27 0.00 -0.13 4.02 5.08 -1.97 0.39 114.58 122.24 1k73 h GLU 70 Ca -0.46 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 57.78 1k73 h GLU 70 Cb 1.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 1k73 h GLU 70 CO 0.59 0.00 -0.46 0.22 -1.00 0.00 0.00 179.01 178.36 1k73 h ASP 71 N 0.00 0.35 -2.34 1.42 1.82 -1.96 -3.44 116.42 112.27 1k73 h ASP 71 Ca 0.00 -0.16 -0.50 0.00 -0.39 0.00 0.00 57.03 55.97 1k73 h ASP 71 Cb 0.63 -0.10 -0.03 0.00 0.68 0.00 0.00 39.33 40.51 1k73 h ASP 71 CO 0.00 0.77 -0.47 -1.81 -1.61 0.00 0.00 179.24 176.12 1k73 s ASP 72 N -6.88 6.10 -0.25 2.28 1.01 0.14 -5.10 116.67 113.97 1k73 s ASP 72 Ca -0.05 0.02 0.01 0.00 0.71 0.00 0.00 52.55 53.23 1k73 s ASP 72 Cb 0.13 -1.75 0.07 0.00 1.01 0.00 0.00 42.92 42.38 1k73 s ASP 72 CO 0.79 -0.02 -0.03 -0.62 0.21 0.00 0.00 175.17 175.51 1k73 s ASP 73 N -3.66 3.88 0.20 0.27 -1.08 -1.26 -4.68 116.67 110.33 1k73 s ASP 73 Ca 0.34 -1.26 -0.13 0.00 -0.52 0.00 0.00 52.55 50.97 1k73 s ASP 73 Cb -0.09 -1.15 0.22 0.00 -1.46 0.00 0.00 42.92 40.43 1k73 s ASP 73 CO 0.28 -0.26 1.66 0.00 0.52 0.00 0.00 175.17 177.37 1k73 h ALA 74 N 7.96 0.48 -0.88 3.66 0.00 -1.84 -1.15 119.26 127.47 1k73 h ALA 74 Ca -0.16 0.18 0.21 0.00 0.00 0.00 0.00 54.91 55.14 1k73 h ALA 74 Cb 1.07 0.32 -0.12 0.00 0.00 0.00 0.00 17.79 19.05 1k73 h ALA 74 CO 0.42 -0.41 0.37 1.96 0.00 0.00 0.00 179.25 181.60 1k73 h GLN 75 N 0.08 0.38 -0.00 0.00 4.20 -1.93 -0.81 115.11 117.02 1k73 h GLN 75 Ca 0.27 -0.02 -0.22 0.00 0.06 0.00 0.00 58.65 58.74 1k73 h GLN 75 Cb 0.43 -0.09 0.02 0.00 0.30 0.00 0.00 27.48 28.14 1k73 h GLN 75 CO -0.49 0.25 -0.85 0.93 -0.67 0.00 0.00 178.83 178.00 1k73 h GLU 76 N 0.39 0.58 -0.75 1.46 5.08 -1.66 -2.37 114.58 117.31 1k73 h GLU 76 Ca 0.55 -0.62 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1k73 h GLU 76 Cb 1.03 0.18 -0.04 0.00 0.50 0.00 0.00 28.75 30.42 1k73 h GLU 76 CO -0.53 1.23 0.48 0.28 -1.00 0.00 0.00 179.01 179.48 1k73 h VAL 77 N 0.18 1.20 0.00 3.13 2.07 -0.66 -2.30 116.25 119.86 1k73 h VAL 77 Ca -0.11 -0.39 -0.12 0.00 0.82 0.00 0.00 66.70 66.91 1k73 h VAL 77 Cb 1.53 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 1k73 h VAL 77 CO 0.17 0.20 -0.56 0.00 0.02 0.00 0.00 177.57 177.39 1k73 h ALA 78 N 1.51 0.66 0.00 1.67 0.00 -1.20 -3.30 119.26 118.60 1k73 h ALA 78 Ca 0.27 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1k73 h ALA 78 Cb -0.09 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1k73 h ALA 78 CO -0.06 0.70 -0.06 0.66 0.00 0.00 0.00 179.25 180.50 1k73 h SER 79 N 0.00 0.00 -0.07 0.00 4.64 -0.86 -2.90 113.55 114.37 1k73 h SER 79 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1k73 h SER 79 Cb 1.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.47 1k73 h SER 79 CO 0.07 0.06 0.00 -2.11 -0.87 0.00 0.00 176.83 173.99 1k73 n ARG 80 N -3.22 1.31 0.00 4.77 1.85 -1.20 -5.11 116.66 115.06 1k73 n ARG 80 Ca -0.00 -0.46 0.00 0.00 -1.00 0.00 0.00 57.85 56.38 1k73 n ARG 80 Cb 0.30 -1.34 0.00 0.00 -1.05 0.00 0.00 32.46 30.37 1k73 n ARG 80 CO 0.00 0.00 0.00 0.44 -0.01 0.00 0.00 177.63 178.06