#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jj2 s TRP 2 N 0.00 3.54 0.22 0.66 1.48 -1.26 -5.07 118.94 118.51 1jj2 s TRP 2 Ca 0.00 1.37 -0.08 0.00 -1.06 0.00 0.00 56.10 56.32 1jj2 s TRP 2 Cb 0.00 -2.62 -0.07 0.00 -1.16 0.00 0.00 33.47 29.62 1jj2 s TRP 2 CO 0.00 0.23 0.52 -0.51 -4.06 0.00 0.00 176.95 173.13 1jj2 s ASP 3 N -1.88 6.58 -0.01 -2.66 1.01 -1.26 -5.04 116.67 113.40 1jj2 s ASP 3 Ca 0.48 0.84 -0.20 0.00 0.71 0.00 0.00 52.55 54.38 1jj2 s ASP 3 Cb -0.14 -2.19 -0.11 0.00 1.01 0.00 0.00 42.92 41.49 1jj2 s ASP 3 CO 0.20 -0.07 0.84 0.58 0.21 0.00 0.00 175.17 176.93 1jj2 h VAL 4 N 1.92 0.00 -3.60 -1.27 2.07 -1.96 -3.40 116.25 110.02 1jj2 h VAL 4 Ca -0.47 -0.43 -0.51 0.00 0.82 0.00 0.00 66.70 66.11 1jj2 h VAL 4 Cb 1.17 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 1jj2 h VAL 4 CO 0.69 0.00 0.30 -0.63 0.02 0.00 0.00 177.57 177.95 1jj2 s ILE 5 N -3.89 4.38 -0.22 4.57 1.01 -1.26 -1.10 121.20 124.69 1jj2 s ILE 5 Ca -0.10 1.96 -0.10 0.00 0.00 0.00 0.00 60.65 62.41 1jj2 s ILE 5 Cb 0.01 -4.27 -0.10 0.00 0.01 0.00 0.00 42.46 38.11 1jj2 s ILE 5 CO 0.31 0.41 -0.28 0.29 0.00 0.00 0.00 174.94 175.68 1jj2 n LYS 6 N 2.21 0.48 0.00 2.79 5.02 0.20 -4.91 118.16 123.95 1jj2 n LYS 6 Ca -0.01 0.20 0.00 0.00 -2.02 0.00 0.00 58.31 56.48 1jj2 n LYS 6 Cb 0.49 -1.31 0.00 0.00 -0.02 0.00 0.00 35.03 34.19 1jj2 n LYS 6 CO 0.00 0.00 0.00 -2.39 -0.52 0.00 0.00 177.40 174.49 1jj2 n HIS 7 N -3.89 0.00 -2.17 2.13 1.44 -1.13 -5.00 115.22 106.61 1jj2 n HIS 7 Ca -0.43 0.00 -0.41 0.00 -2.01 0.00 0.00 57.72 54.87 1jj2 n HIS 7 Cb 0.82 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.91 1jj2 n HIS 7 CO 0.00 0.00 0.00 -2.14 -2.81 0.00 0.00 176.34 171.39 1jj2 s PRO 8 N -2.00 4.40 -0.52 -1.40 0.02 -1.26 -0.77 135.00 133.47 1jj2 s PRO 8 Ca 0.00 2.14 -0.19 0.00 0.02 0.00 0.00 61.00 62.97 1jj2 s PRO 8 Cb 0.00 -3.10 0.06 0.00 0.02 0.00 0.00 34.50 31.48 1jj2 s PRO 8 CO 0.00 -0.15 0.65 -1.58 -0.33 0.00 0.00 177.00 175.60 1jj2 s HIS 9 N -0.96 3.02 -0.32 6.54 2.46 0.56 -4.77 115.29 121.83 1jj2 s HIS 9 Ca 0.50 -0.57 -0.04 0.00 0.47 0.00 0.00 55.06 55.41 1jj2 s HIS 9 Cb -0.38 -3.63 0.04 0.00 -0.13 0.00 0.00 32.58 28.47 1jj2 s HIS 9 CO 0.49 -1.09 0.06 0.54 -2.47 0.00 0.00 174.74 172.27 1jj2 s VAL 10 N 2.72 3.44 0.20 0.89 0.11 -1.26 -4.58 120.40 121.91 1jj2 s VAL 10 Ca 0.15 -1.21 -0.07 0.00 -2.93 0.00 0.00 61.98 57.92 1jj2 s VAL 10 Cb -0.19 -2.95 -0.02 0.00 -1.53 0.00 0.00 36.38 31.69 1jj2 s VAL 10 CO 0.11 -0.13 0.28 0.42 -3.33 0.00 0.00 175.10 172.46 1jj2 s THR 11 N 1.34 0.03 0.21 5.04 -4.23 -1.26 -5.01 115.64 111.76 1jj2 s THR 11 Ca -0.03 -1.60 -0.12 0.00 -1.18 0.00 0.00 61.69 58.76 1jj2 s THR 11 Cb -0.19 -2.14 0.20 0.00 1.34 0.00 0.00 72.50 71.71 1jj2 s THR 11 CO 0.01 -0.15 1.65 -0.33 -0.54 0.00 0.00 174.62 175.27 1jj2 h GLU 12 N 2.50 0.07 -0.78 3.99 3.07 -2.00 0.25 114.58 121.69 1jj2 h GLU 12 Ca -0.31 -0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.52 1jj2 h GLU 12 Cb 1.24 -0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 29.10 1jj2 h GLU 12 CO 0.47 0.05 0.41 -0.22 -1.40 0.00 0.00 179.01 178.31 1jj2 h LYS 13 N 0.07 1.09 -0.07 2.33 3.64 -1.99 -1.67 116.57 119.97 1jj2 h LYS 13 Ca 0.31 -0.13 -0.06 0.00 -1.27 0.00 0.00 60.65 59.50 1jj2 h LYS 13 Cb 0.49 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 1jj2 h LYS 13 CO -0.55 0.82 -0.22 0.00 -2.27 0.00 0.00 179.45 177.22 1jj2 h ALA 14 N 1.35 1.50 -0.21 5.00 0.00 -1.32 -2.31 119.26 123.28 1jj2 h ALA 14 Ca 0.27 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1jj2 h ALA 14 Cb 0.05 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1jj2 h ALA 14 CO -0.04 0.36 -0.13 0.52 0.00 0.00 0.00 179.25 179.96 1jj2 h MET 15 N 0.12 0.45 -0.89 0.00 2.86 -0.28 -1.50 114.93 115.68 1jj2 h MET 15 Ca 0.02 -0.21 0.01 0.00 -2.06 0.00 0.00 59.70 57.46 1jj2 h MET 15 Cb 0.46 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.07 1jj2 h MET 15 CO 0.03 0.76 0.59 -0.91 1.06 0.00 0.00 176.91 178.44 1jj2 h ASN 16 N 0.14 1.02 -0.31 1.22 2.35 -1.14 0.40 115.58 119.25 1jj2 h ASN 16 Ca 0.04 -0.03 -0.11 0.00 -0.55 0.00 0.00 56.30 55.66 1jj2 h ASN 16 Cb 0.64 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.74 1jj2 h ASN 16 CO 0.04 0.74 -0.18 0.44 -1.65 0.00 0.00 177.43 176.82 1jj2 h ASP 17 N 1.21 0.77 0.10 5.81 5.19 -1.32 0.13 116.42 128.32 1jj2 h ASP 17 Ca 0.33 -0.26 -0.01 0.00 -0.62 0.00 0.00 57.03 56.48 1jj2 h ASP 17 Cb -0.13 -0.21 0.00 0.00 0.18 0.00 0.00 39.33 39.17 1jj2 h ASP 17 CO -0.07 0.95 -0.05 -0.03 -3.12 0.00 0.00 179.24 176.91 1jj2 h MET 18 N 0.68 -0.13 -0.27 3.56 4.05 -0.17 0.07 114.93 122.73 1jj2 h MET 18 Ca 0.10 0.01 -0.15 0.00 -0.28 0.00 0.00 59.70 59.38 1jj2 h MET 18 Cb 0.67 0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.49 1jj2 h MET 18 CO 0.05 0.29 -0.44 -0.44 0.23 0.00 0.00 176.91 176.59 1jj2 h ASP 19 N -0.60 0.73 0.00 1.39 3.32 -0.24 -3.02 116.42 118.00 1jj2 h ASP 19 Ca -0.01 -0.34 0.00 0.00 0.02 0.00 0.00 57.03 56.69 1jj2 h ASP 19 Cb 0.48 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.82 1jj2 h ASP 19 CO 0.02 1.06 -1.47 0.49 -1.72 0.00 0.00 179.24 177.63 1jj2 n PHE 20 N -4.02 0.00 -0.48 4.55 0.99 0.45 -4.67 117.46 114.28 1jj2 n PHE 20 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.43 1jj2 n PHE 20 Cb 0.55 -0.27 0.00 0.00 -1.00 0.00 0.00 39.48 38.76 1jj2 n PHE 20 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1jj2 n GLN 21 N -1.87 0.69 -3.21 -1.08 6.02 -0.06 -5.02 117.38 112.85 1jj2 n GLN 21 Ca -0.01 -0.70 -0.23 0.00 -0.01 0.00 0.00 57.00 56.05 1jj2 n GLN 21 Cb 0.40 -0.76 0.05 0.00 1.02 0.00 0.00 30.24 30.95 1jj2 n GLN 21 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1jj2 n ASN 22 N -0.15 -6.10 -4.61 1.08 5.15 -0.80 -4.79 115.26 105.04 1jj2 n ASN 22 Ca 0.00 -0.37 -0.29 0.00 -0.60 0.00 0.00 54.58 53.32 1jj2 n ASN 22 Cb 0.27 -4.89 -0.09 0.00 -0.53 0.00 0.00 39.78 34.54 1jj2 n ASN 22 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1jj2 s LYS 23 N -5.91 2.24 0.03 1.20 1.02 -0.90 -1.37 119.74 116.06 1jj2 s LYS 23 Ca 0.39 -1.05 0.08 0.00 0.02 0.00 0.00 55.97 55.42 1jj2 s LYS 23 Cb -0.18 -2.33 -0.03 0.00 -0.52 0.00 0.00 37.83 34.77 1jj2 s LYS 23 CO 0.49 0.49 -0.24 -0.51 -0.92 0.00 0.00 175.35 174.66 1jj2 s LEU 24 N -2.48 2.27 -0.10 3.17 1.43 0.22 -3.12 118.68 120.07 1jj2 s LEU 24 Ca 0.24 -0.53 0.02 0.00 -1.03 0.00 0.00 54.13 52.83 1jj2 s LEU 24 Cb -0.10 -1.35 -0.02 0.00 0.03 0.00 0.00 46.19 44.75 1jj2 s LEU 24 CO 0.16 0.27 -0.15 -1.10 0.23 0.00 0.00 176.35 175.75 1jj2 s GLN 25 N -1.19 3.10 0.16 1.70 -0.21 -1.26 -0.13 119.66 121.82 1jj2 s GLN 25 Ca 0.12 -0.72 0.05 0.00 0.02 0.00 0.00 55.36 54.82 1jj2 s GLN 25 Cb -0.10 -2.51 -0.05 0.00 1.00 0.00 0.00 33.01 31.36 1jj2 s GLN 25 CO 0.02 0.31 -0.09 -0.06 -2.12 0.00 0.00 175.29 173.35 1jj2 s PHE 26 N 0.08 1.34 -0.28 0.91 0.40 -0.53 -0.32 117.98 119.58 1jj2 s PHE 26 Ca -0.07 -0.76 -0.09 0.00 -0.60 0.00 0.00 56.93 55.41 1jj2 s PHE 26 Cb -0.15 -0.69 -0.03 0.00 0.51 0.00 0.00 43.02 42.66 1jj2 s PHE 26 CO 0.05 0.09 0.14 0.00 0.70 0.00 0.00 175.22 176.20 1jj2 s ALA 27 N -3.31 3.33 0.42 5.36 0.00 0.05 -1.43 121.76 126.19 1jj2 s ALA 27 Ca 0.19 -1.18 0.05 0.00 0.00 0.00 0.00 51.96 51.01 1jj2 s ALA 27 Cb 0.03 -2.31 -0.06 0.00 0.00 0.00 0.00 23.12 20.78 1jj2 s ALA 27 CO 0.02 -0.62 0.02 0.14 0.00 0.00 0.00 175.76 175.32 1jj2 s VAL 28 N 1.67 1.60 0.10 0.00 -7.23 -0.10 -0.63 120.40 115.81 1jj2 s VAL 28 Ca 0.06 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 57.93 1jj2 s VAL 28 Cb -0.16 -2.73 -0.06 0.00 0.56 0.00 0.00 36.38 33.99 1jj2 s VAL 28 CO 0.07 0.00 1.20 -0.62 -0.31 0.00 0.00 175.10 175.45 1jj2 s ASP 29 N -3.71 7.08 0.00 4.85 -1.08 -0.26 -3.29 116.67 120.26 1jj2 s ASP 29 Ca 0.27 2.09 0.04 0.00 -0.52 0.00 0.00 52.55 54.43 1jj2 s ASP 29 Cb 0.07 -2.59 0.23 0.00 -1.46 0.00 0.00 42.92 39.17 1jj2 s ASP 29 CO 0.14 -0.44 0.85 -0.90 0.52 0.00 0.00 175.17 175.33 1jj2 n ASP 30 N 3.52 0.00 -0.20 -0.34 5.75 -1.26 -0.69 116.55 123.33 1jj2 n ASP 30 Ca 0.08 0.05 0.12 0.00 -0.01 0.00 0.00 54.79 55.03 1jj2 n ASP 30 Cb 0.46 -0.15 0.14 0.00 -1.03 0.00 0.00 41.12 40.54 1jj2 n ASP 30 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1jj2 n ARG 31 N -1.15 0.57 -2.85 0.11 1.74 -1.26 -4.93 116.66 108.89 1jj2 n ARG 31 Ca 0.03 -0.41 -0.40 0.00 -0.77 0.00 0.00 57.85 56.29 1jj2 n ARG 31 Cb 0.02 -1.49 -0.05 0.00 -1.02 0.00 0.00 32.46 29.92 1jj2 n ARG 31 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1jj2 s ALA 32 N -2.71 3.32 0.58 7.54 0.00 0.14 -5.07 121.76 125.55 1jj2 s ALA 32 Ca 0.16 0.46 -0.03 0.00 0.00 0.00 0.00 51.96 52.55 1jj2 s ALA 32 Cb 0.18 -3.14 0.03 0.00 0.00 0.00 0.00 23.12 20.18 1jj2 s ALA 32 CO 0.65 0.06 0.86 -1.54 0.00 0.00 0.00 175.76 175.79 1jj2 s SER 33 N -0.27 5.37 0.26 0.00 1.04 -1.26 -4.89 113.70 113.95 1jj2 s SER 33 Ca 0.42 0.40 -0.02 0.00 0.48 0.00 0.00 55.95 57.23 1jj2 s SER 33 Cb -0.23 -1.33 0.43 0.00 0.10 0.00 0.00 66.02 64.99 1jj2 s SER 33 CO 0.27 -1.15 1.85 0.11 0.98 0.00 0.00 173.24 175.31 1jj2 h LYS 34 N -0.12 1.01 -0.53 4.02 1.57 -1.97 -0.52 116.57 120.02 1jj2 h LYS 34 Ca -0.45 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.25 1jj2 h LYS 34 Cb 1.28 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 33.34 1jj2 h LYS 34 CO 0.58 0.67 0.23 0.78 -0.57 0.00 0.00 179.45 181.14 1jj2 h GLY 35 N 1.04 0.84 1.24 3.86 0.00 -1.97 0.70 103.07 108.79 1jj2 h GLY 35 Ca 0.43 -0.44 -0.08 0.00 0.00 0.00 0.00 47.33 47.25 1jj2 h GLY 35 CO -0.21 0.42 0.04 0.83 0.00 0.00 0.00 176.54 177.62 1jj2 h GLU 36 N 0.72 0.92 -0.50 4.80 5.08 -1.74 -1.48 114.58 122.39 1jj2 h GLU 36 Ca 0.18 -0.25 -0.09 0.00 -1.00 0.00 0.00 59.36 58.20 1jj2 h GLU 36 Cb 0.16 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1jj2 h GLU 36 CO -0.02 0.89 -0.06 0.28 -1.00 0.00 0.00 179.01 179.10 1jj2 h VAL 37 N 0.86 1.27 -0.14 3.13 2.07 -0.72 -0.60 116.25 122.12 1jj2 h VAL 37 Ca 0.17 -1.18 -0.00 0.00 0.82 0.00 0.00 66.70 66.51 1jj2 h VAL 37 Cb 0.45 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 1jj2 h VAL 37 CO 0.02 0.41 0.09 0.00 0.02 0.00 0.00 177.57 178.10 1jj2 h ALA 38 N 0.91 0.18 0.67 1.67 0.00 -0.55 -1.42 119.26 120.72 1jj2 h ALA 38 Ca 0.13 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1jj2 h ALA 38 Cb 0.60 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.34 1jj2 h ALA 38 CO 0.04 -0.31 -0.32 -0.44 0.00 0.00 0.00 179.25 178.22 1jj2 h ASP 39 N 0.16 -0.77 -0.72 0.00 3.32 -1.20 -2.38 116.42 114.84 1jj2 h ASP 39 Ca 0.05 -0.01 0.16 0.00 0.02 0.00 0.00 57.03 57.25 1jj2 h ASP 39 Cb 0.03 0.20 -0.13 0.00 0.22 0.00 0.00 39.33 39.65 1jj2 h ASP 39 CO -0.01 -0.45 -0.01 0.00 -1.72 0.00 0.00 179.24 177.05 1jj2 h ALA 40 N -0.87 0.71 -0.89 3.45 0.00 -1.10 -0.52 119.26 120.04 1jj2 h ALA 40 Ca -0.09 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1jj2 h ALA 40 Cb 0.73 0.41 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 1jj2 h ALA 40 CO 0.15 -0.42 0.57 0.28 0.00 0.00 0.00 179.25 179.84 1jj2 h VAL 41 N 0.10 1.24 -0.28 0.00 2.07 -1.19 -2.05 116.25 116.14 1jj2 h VAL 41 Ca 0.39 -0.46 -0.04 0.00 0.82 0.00 0.00 66.70 67.40 1jj2 h VAL 41 Cb 0.66 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 1jj2 h VAL 41 CO -0.64 0.24 0.00 -0.33 0.02 0.00 0.00 177.57 176.86 1jj2 h GLU 42 N 1.22 0.49 0.00 1.57 5.08 -0.58 -2.35 114.58 120.01 1jj2 h GLU 42 Ca 0.32 -0.16 -0.04 0.00 -1.00 0.00 0.00 59.36 58.49 1jj2 h GLU 42 Cb -0.11 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 1jj2 h GLU 42 CO -0.07 0.64 -0.17 0.93 -1.00 0.00 0.00 179.01 179.34 1jj2 h GLU 43 N 0.27 0.00 0.04 2.33 5.08 -1.17 0.51 114.58 121.65 1jj2 h GLU 43 Ca 0.08 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.15 1jj2 h GLU 43 Cb 0.42 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 1jj2 h GLU 43 CO 0.01 0.17 -1.57 1.96 -1.00 0.00 0.00 179.01 178.59 1jj2 h GLN 44 N 0.00 0.09 -0.02 2.33 1.08 -1.26 -3.39 115.11 113.93 1jj2 h GLN 44 Ca -0.00 -0.15 0.00 0.00 -1.45 0.00 0.00 58.65 57.05 1jj2 h GLN 44 Cb 0.42 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.91 1jj2 h GLN 44 CO 0.02 0.80 0.00 0.66 -0.95 0.00 0.00 178.83 179.37 1jj2 n TYR 45 N -3.24 0.02 -3.36 2.96 4.02 -0.89 -5.04 117.16 111.63 1jj2 n TYR 45 Ca -0.15 -0.10 -0.11 0.00 -0.01 0.00 0.00 57.90 57.53 1jj2 n TYR 45 Cb 1.03 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 40.34 1jj2 n TYR 45 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1jj2 n ASP 46 N 0.07 -6.61 -3.61 7.72 -0.08 0.18 -5.02 116.55 109.21 1jj2 n ASP 46 Ca 0.02 -0.45 -0.14 0.00 -1.51 0.00 0.00 54.79 52.70 1jj2 n ASP 46 Cb 0.11 -3.92 -0.07 0.00 2.34 0.00 0.00 41.12 39.58 1jj2 n ASP 46 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 1jj2 s VAL 47 N -3.03 0.00 -0.29 5.18 -7.23 -1.19 -5.07 120.40 108.77 1jj2 s VAL 47 Ca 0.03 -1.76 -0.04 0.00 -1.81 0.00 0.00 61.98 58.40 1jj2 s VAL 47 Cb -0.01 -2.51 0.03 0.00 0.56 0.00 0.00 36.38 34.45 1jj2 s VAL 47 CO 0.81 0.00 0.02 -0.89 -0.31 0.00 0.00 175.10 174.72 1jj2 s THR 48 N -3.55 3.35 -0.19 5.32 2.01 -1.26 -4.60 115.64 116.72 1jj2 s THR 48 Ca 0.34 -1.01 -0.26 0.00 0.31 0.00 0.00 61.69 61.06 1jj2 s THR 48 Cb 0.02 -2.78 -0.01 0.00 0.01 0.00 0.00 72.50 69.74 1jj2 s THR 48 CO 0.18 0.05 0.90 -0.69 -0.69 0.00 0.00 174.62 174.37 1jj2 s VAL 49 N 1.37 4.82 -0.12 3.82 1.01 -1.26 -1.44 120.40 128.61 1jj2 s VAL 49 Ca -0.00 1.75 0.03 0.00 0.00 0.00 0.00 61.98 63.76 1jj2 s VAL 49 Cb -0.18 -4.19 -0.24 0.00 0.00 0.00 0.00 36.38 31.77 1jj2 s VAL 49 CO -0.01 -0.04 0.38 -0.62 0.00 0.00 0.00 175.10 174.81 1jj2 n GLU 50 N 5.57 0.70 -3.56 2.72 -0.58 0.40 -4.91 120.64 120.98 1jj2 n GLU 50 Ca 0.07 0.24 -0.17 0.00 -0.42 0.00 0.00 57.16 56.88 1jj2 n GLU 50 Cb 0.48 -1.70 -0.06 0.00 -0.57 0.00 0.00 31.44 29.58 1jj2 n GLU 50 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 1jj2 s GLN 51 N -2.56 0.97 -0.05 3.49 0.74 -1.11 -5.00 119.66 116.13 1jj2 s GLN 51 Ca -0.16 0.45 0.02 0.00 0.05 0.00 0.00 55.36 55.72 1jj2 s GLN 51 Cb 0.07 0.46 0.01 0.00 1.10 0.00 0.00 33.01 34.66 1jj2 s GLN 51 CO 0.78 -0.26 -0.11 0.08 -0.55 0.00 0.00 175.29 175.23 1jj2 s VAL 52 N -0.74 1.03 -0.05 1.34 1.01 -1.26 -0.45 120.40 121.28 1jj2 s VAL 52 Ca -0.08 -0.43 0.06 0.00 0.00 0.00 0.00 61.98 61.53 1jj2 s VAL 52 Cb -0.02 -0.94 -0.01 0.00 0.00 0.00 0.00 36.38 35.41 1jj2 s VAL 52 CO 0.07 0.33 -0.24 0.20 0.00 0.00 0.00 175.10 175.46 1jj2 s ASN 53 N 0.57 2.89 0.32 3.32 0.02 -0.56 -4.95 114.94 116.54 1jj2 s ASN 53 Ca -0.12 -0.47 0.10 0.00 -1.02 0.00 0.00 52.86 51.35 1jj2 s ASN 53 Cb -0.14 -0.68 -0.06 0.00 0.02 0.00 0.00 41.25 40.39 1jj2 s ASN 53 CO 0.03 0.25 -0.13 0.42 0.02 0.00 0.00 177.10 177.69 1jj2 s THR 54 N -0.24 2.25 -0.23 1.60 -4.23 -1.26 0.27 115.64 113.81 1jj2 s THR 54 Ca -0.00 -2.26 -0.16 0.00 -1.18 0.00 0.00 61.69 58.08 1jj2 s THR 54 Cb -0.12 -2.51 0.07 0.00 1.34 0.00 0.00 72.50 71.28 1jj2 s THR 54 CO 0.02 -0.28 0.59 -1.58 -0.54 0.00 0.00 174.62 172.83 1jj2 s GLN 55 N -3.59 0.63 -0.42 3.99 0.74 -0.01 -4.98 119.66 116.02 1jj2 s GLN 55 Ca 0.31 0.97 -0.20 0.00 0.05 0.00 0.00 55.36 56.49 1jj2 s GLN 55 Cb 0.00 0.18 0.02 0.00 1.10 0.00 0.00 33.01 34.31 1jj2 s GLN 55 CO 0.15 -0.13 0.60 -0.80 -0.55 0.00 0.00 175.29 174.57 1jj2 s ASN 56 N 1.06 6.31 0.60 6.67 0.01 -1.26 -0.16 114.94 128.16 1jj2 s ASN 56 Ca -0.06 -0.31 -0.12 0.00 -0.71 0.00 0.00 52.86 51.66 1jj2 s ASN 56 Cb -0.05 -2.30 -0.05 0.00 0.41 0.00 0.00 41.25 39.25 1jj2 s ASN 56 CO -0.10 -0.71 1.02 -0.89 -1.51 0.00 0.00 177.10 174.91 1jj2 s THR 57 N 2.68 4.68 -1.45 1.60 2.01 0.03 -4.95 115.64 120.24 1jj2 s THR 57 Ca 0.21 0.94 0.00 0.00 0.31 0.00 0.00 61.69 63.15 1jj2 s THR 57 Cb -0.15 -3.84 0.00 0.00 0.01 0.00 0.00 72.50 68.52 1jj2 s THR 57 CO 0.17 -1.05 0.60 0.23 -0.69 0.00 0.00 174.62 173.87 1jj2 n MET 58 N -2.51 0.82 0.00 4.92 2.81 -1.26 -1.55 117.12 120.35 1jj2 n MET 58 Ca 0.06 0.00 0.07 0.00 -1.81 0.00 0.00 57.70 56.02 1jj2 n MET 58 Cb 0.54 -1.22 -0.04 0.00 -0.71 0.00 0.00 33.22 31.79 1jj2 n MET 58 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1jj2 n ASP 59 N -0.18 1.08 0.00 7.83 10.43 -1.26 -4.97 116.55 129.48 1jj2 n ASP 59 Ca 0.00 -1.04 0.00 0.00 2.57 0.00 0.00 54.79 56.32 1jj2 n ASP 59 Cb 0.11 0.73 0.00 0.00 1.84 0.00 0.00 41.12 43.80 1jj2 n ASP 59 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1jj2 n GLY 60 N 1.20 0.73 3.71 0.44 0.00 -0.60 -5.06 105.19 105.62 1jj2 n GLY 60 Ca 0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 1jj2 n GLY 60 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jj2 s GLU 61 N -0.57 2.17 -0.10 1.61 2.02 -1.26 -4.94 118.70 117.63 1jj2 s GLU 61 Ca 0.00 -1.90 -0.03 0.00 0.02 0.00 0.00 54.97 53.05 1jj2 s GLU 61 Cb 0.00 -1.91 -0.03 0.00 0.10 0.00 0.00 34.13 32.29 1jj2 s GLU 61 CO 0.00 -0.11 0.03 0.21 0.02 0.00 0.00 175.26 175.42 1jj2 s LYS 62 N -3.86 3.14 -0.10 1.61 2.20 -1.21 -0.79 119.74 120.74 1jj2 s LYS 62 Ca 0.40 -0.35 0.02 0.00 -0.36 0.00 0.00 55.97 55.67 1jj2 s LYS 62 Cb 0.05 -2.90 -0.02 0.00 -1.51 0.00 0.00 37.83 33.46 1jj2 s LYS 62 CO 0.22 0.69 -0.15 0.21 -0.36 0.00 0.00 175.35 175.95 1jj2 s LYS 63 N -0.82 3.02 -0.11 4.03 2.20 0.77 -0.92 119.74 127.91 1jj2 s LYS 63 Ca 0.13 -0.71 0.04 0.00 -0.36 0.00 0.00 55.97 55.06 1jj2 s LYS 63 Cb -0.12 -2.50 0.00 0.00 -1.51 0.00 0.00 37.83 33.71 1jj2 s LYS 63 CO 0.03 0.36 -0.23 0.00 -0.36 0.00 0.00 175.35 175.14 1jj2 s ALA 64 N -0.04 2.13 -0.49 3.13 0.00 -0.51 -0.83 121.76 125.14 1jj2 s ALA 64 Ca -0.04 -0.96 -0.13 0.00 0.00 0.00 0.00 51.96 50.83 1jj2 s ALA 64 Cb -0.14 -0.84 0.11 0.00 0.00 0.00 0.00 23.12 22.25 1jj2 s ALA 64 CO 0.04 0.21 0.41 0.08 0.00 0.00 0.00 175.76 176.50 1jj2 s VAL 65 N 0.47 4.81 -0.34 0.00 1.01 0.14 -1.45 120.40 125.04 1jj2 s VAL 65 Ca -0.16 -1.49 -0.13 0.00 0.00 0.00 0.00 61.98 60.20 1jj2 s VAL 65 Cb -0.17 -4.05 -0.01 0.00 0.00 0.00 0.00 36.38 32.14 1jj2 s VAL 65 CO 0.06 -0.75 0.24 -0.69 0.00 0.00 0.00 175.10 173.96 1jj2 s VAL 66 N 1.52 5.22 -0.07 2.92 1.01 0.81 -1.50 120.40 130.31 1jj2 s VAL 66 Ca 0.04 -0.26 -0.18 0.00 0.00 0.00 0.00 61.98 61.58 1jj2 s VAL 66 Cb -0.27 -3.69 -0.05 0.00 0.00 0.00 0.00 36.38 32.37 1jj2 s VAL 66 CO 0.02 -0.02 0.48 -0.60 0.00 0.00 0.00 175.10 174.99 1jj2 s ARG 67 N 1.71 4.24 0.35 2.72 3.52 0.40 0.70 118.95 132.60 1jj2 s ARG 67 Ca 0.06 0.49 0.04 0.00 -0.13 0.00 0.00 55.73 56.19 1jj2 s ARG 67 Cb -0.17 -3.37 -0.02 0.00 -1.56 0.00 0.00 34.95 29.83 1jj2 s ARG 67 CO 0.10 0.32 0.51 -0.51 -0.81 0.00 0.00 175.30 174.92 1jj2 s LEU 68 N 0.07 3.96 0.61 -0.88 1.43 -0.47 -0.46 118.68 122.94 1jj2 s LEU 68 Ca 0.26 0.09 -0.15 0.00 -1.03 0.00 0.00 54.13 53.30 1jj2 s LEU 68 Cb -0.16 -2.97 -0.03 0.00 0.03 0.00 0.00 46.19 43.06 1jj2 s LEU 68 CO 0.12 -0.41 1.05 -0.94 0.23 0.00 0.00 176.35 176.40 1jj2 s SER 69 N -4.13 5.74 0.57 2.29 1.04 -0.52 -4.68 113.70 114.02 1jj2 s SER 69 Ca 0.43 1.75 0.28 0.00 0.48 0.00 0.00 55.95 58.89 1jj2 s SER 69 Cb -0.10 -2.52 1.52 0.00 0.10 0.00 0.00 66.02 65.03 1jj2 s SER 69 CO 0.33 -1.20 1.84 -0.33 0.98 0.00 0.00 173.24 174.86 1jj2 h GLU 70 N 0.18 0.00 0.00 4.02 5.08 -1.97 0.40 114.58 122.29 1jj2 h GLU 70 Ca -0.46 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 57.78 1jj2 h GLU 70 Cb 1.22 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.45 1jj2 h GLU 70 CO 0.57 0.00 -0.58 0.22 -1.00 0.00 0.00 179.01 178.22 1jj2 h ASP 71 N 0.00 0.00 -2.50 1.42 1.82 -1.96 -3.44 116.42 111.76 1jj2 h ASP 71 Ca 0.00 0.00 -0.54 0.00 -0.39 0.00 0.00 57.03 56.10 1jj2 h ASP 71 Cb 0.51 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 40.47 1jj2 h ASP 71 CO 0.00 0.58 -0.53 -1.81 -1.61 0.00 0.00 179.24 175.88 1jj2 s ASP 72 N -6.76 5.72 -0.26 2.28 1.01 0.14 -5.10 116.67 113.72 1jj2 s ASP 72 Ca -0.01 -0.10 0.02 0.00 0.71 0.00 0.00 52.55 53.17 1jj2 s ASP 72 Cb 0.12 -1.54 0.07 0.00 1.01 0.00 0.00 42.92 42.57 1jj2 s ASP 72 CO 0.75 0.02 -0.05 -0.62 0.21 0.00 0.00 175.17 175.48 1jj2 s ASP 73 N -3.40 4.13 0.20 0.27 -1.08 -1.26 -4.68 116.67 110.85 1jj2 s ASP 73 Ca 0.32 -1.37 -0.12 0.00 -0.52 0.00 0.00 52.55 50.86 1jj2 s ASP 73 Cb -0.10 -1.32 0.23 0.00 -1.46 0.00 0.00 42.92 40.28 1jj2 s ASP 73 CO 0.25 -0.25 1.68 0.00 0.52 0.00 0.00 175.17 177.37 1jj2 h ALA 74 N 7.87 0.53 -0.85 3.66 0.00 -1.85 -1.44 119.26 127.19 1jj2 h ALA 74 Ca -0.16 0.16 0.20 0.00 0.00 0.00 0.00 54.91 55.10 1jj2 h ALA 74 Cb 1.05 0.26 -0.12 0.00 0.00 0.00 0.00 17.79 18.99 1jj2 h ALA 74 CO 0.44 -0.38 0.33 1.96 0.00 0.00 0.00 179.25 181.60 1jj2 h GLN 75 N 0.13 0.35 -0.03 0.00 4.20 -1.92 -0.87 115.11 116.98 1jj2 h GLN 75 Ca 0.28 -0.02 -0.17 0.00 0.06 0.00 0.00 58.65 58.79 1jj2 h GLN 75 Cb 0.42 -0.08 0.01 0.00 0.30 0.00 0.00 27.48 28.14 1jj2 h GLN 75 CO -0.44 0.23 -0.66 0.93 -0.67 0.00 0.00 178.83 178.22 1jj2 h GLU 76 N 0.36 0.49 -0.57 1.46 5.08 -1.72 -2.54 114.58 117.15 1jj2 h GLU 76 Ca 0.52 -0.50 0.03 0.00 -1.00 0.00 0.00 59.36 58.41 1jj2 h GLU 76 Cb 0.95 0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.31 1jj2 h GLU 76 CO -0.53 1.14 0.38 0.28 -1.00 0.00 0.00 179.01 179.28 1jj2 h VAL 77 N 0.04 1.08 0.00 3.13 2.07 -0.63 -2.28 116.25 119.67 1jj2 h VAL 77 Ca -0.08 -0.23 -0.14 0.00 0.82 0.00 0.00 66.70 67.07 1jj2 h VAL 77 Cb 1.35 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 1jj2 h VAL 77 CO 0.13 0.12 -0.75 0.00 0.02 0.00 0.00 177.57 177.10 1jj2 h ALA 78 N 1.66 0.59 0.00 1.67 0.00 -1.23 -3.32 119.26 118.64 1jj2 h ALA 78 Ca 0.23 -0.63 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 1jj2 h ALA 78 Cb 0.06 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1jj2 h ALA 78 CO -0.06 0.84 -0.05 0.66 0.00 0.00 0.00 179.25 180.63 1jj2 h SER 79 N 0.00 0.00 -0.07 0.00 4.64 -0.95 -2.90 113.55 114.27 1jj2 h SER 79 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1jj2 h SER 79 Cb 1.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.61 1jj2 h SER 79 CO 0.08 0.05 0.00 -2.11 -0.87 0.00 0.00 176.83 173.98 1jj2 n ARG 80 N -3.20 1.33 0.00 4.77 1.85 -1.21 -5.11 116.66 115.10 1jj2 n ARG 80 Ca -0.00 -0.50 0.00 0.00 -1.00 0.00 0.00 57.85 56.35 1jj2 n ARG 80 Cb 0.30 -1.34 0.00 0.00 -1.05 0.00 0.00 32.46 30.37 1jj2 n ARG 80 CO 0.00 0.00 0.00 0.44 -0.01 0.00 0.00 177.63 178.06