#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bo9 n PHE 2 N 0.00 -5.07 -3.78 -1.42 -0.00 -1.26 -4.96 117.46 100.98 1bo9 n PHE 2 Ca 0.00 3.05 -0.28 0.00 -0.00 0.00 0.00 57.45 60.22 1bo9 n PHE 2 Cb 0.00 -3.77 -0.12 0.00 -0.00 0.00 0.00 39.48 35.59 1bo9 n PHE 2 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 1bo9 s ASN 3 N -0.54 3.94 -1.26 -2.13 4.22 -1.26 -5.03 114.94 112.88 1bo9 s ASN 3 Ca 0.00 -3.48 -0.19 0.00 -2.14 0.00 0.00 52.86 47.05 1bo9 s ASN 3 Cb 0.00 -1.32 0.01 0.00 1.28 0.00 0.00 41.25 41.22 1bo9 s ASN 3 CO 0.00 -0.14 1.84 -0.81 -2.04 0.00 0.00 177.10 175.95 1bo9 n PRO 4 N 2.43 2.62 0.00 3.55 -0.04 -1.26 -3.11 135.00 139.18 1bo9 n PRO 4 Ca 0.19 -2.93 0.00 0.00 -0.04 0.00 0.00 63.50 60.72 1bo9 n PRO 4 Cb 0.37 -3.54 0.00 0.00 -0.04 0.00 0.00 33.50 30.29 1bo9 n PRO 4 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1bo9 n SER 5 N 10.13 0.00 0.22 3.54 2.88 -1.26 -4.92 113.62 124.20 1bo9 n SER 5 Ca 0.48 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 58.10 1bo9 n SER 5 Cb 0.46 0.00 0.47 0.00 -0.75 0.00 0.00 64.21 64.38 1bo9 n SER 5 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1bo9 h SER 6 N 0.00 0.00 1.36 -3.46 0.87 -1.99 -2.02 113.55 108.30 1bo9 h SER 6 Ca 0.00 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.52 1bo9 h SER 6 Cb 0.00 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 1bo9 h SER 6 CO 0.00 0.27 -0.18 -0.78 -0.53 0.00 0.00 176.83 175.61 1bo9 h ASP 7 N 0.00 0.00 0.63 6.23 1.82 -1.90 -1.59 116.42 121.61 1bo9 h ASP 7 Ca -0.00 0.00 -0.27 0.00 -0.39 0.00 0.00 57.03 56.37 1bo9 h ASP 7 Cb 0.69 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.68 1bo9 h ASP 7 CO 0.03 0.18 -1.42 0.58 -1.61 0.00 0.00 179.24 177.00 1bo9 h VAL 8 N 0.00 1.23 0.00 2.25 2.07 -1.67 -2.84 116.25 117.30 1bo9 h VAL 8 Ca -0.00 -2.96 0.00 0.00 0.82 0.00 0.00 66.70 64.56 1bo9 h VAL 8 Cb 0.91 2.68 0.00 0.00 -1.52 0.00 0.00 31.29 33.36 1bo9 h VAL 8 CO 0.02 0.77 -0.54 0.00 0.02 0.00 0.00 177.57 177.84 1bo9 h ALA 9 N 0.80 0.71 0.06 1.67 0.00 -1.39 -1.46 119.26 119.65 1bo9 h ALA 9 Ca -0.19 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.41 1bo9 h ALA 9 Cb 1.94 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.70 1bo9 h ALA 9 CO 0.13 0.00 -1.71 0.00 0.00 0.00 0.00 179.25 177.66 1bo9 h ALA 10 N 2.15 0.56 0.00 0.00 0.00 -1.39 -1.93 119.26 118.65 1bo9 h ALA 10 Ca 0.00 -1.34 -0.25 0.00 0.00 0.00 0.00 54.91 53.32 1bo9 h ALA 10 Cb 0.93 0.47 -0.04 0.00 0.00 0.00 0.00 17.79 19.15 1bo9 h ALA 10 CO 0.00 1.40 -1.30 1.37 0.00 0.00 0.00 179.25 180.72 1bo9 h LEU 11 N 0.03 0.01 -0.02 0.00 8.10 -1.60 -1.13 115.31 120.70 1bo9 h LEU 11 Ca -0.30 -0.02 -0.17 0.00 0.11 0.00 0.00 57.88 57.50 1bo9 h LEU 11 Cb 2.01 -0.00 0.01 0.00 -0.44 0.00 0.00 40.66 42.24 1bo9 h LEU 11 CO 0.10 1.02 -0.66 -0.74 -4.11 0.00 0.00 178.44 174.05 1bo9 h HIS 12 N 0.00 0.69 0.00 0.17 2.76 -1.39 -2.28 115.15 115.11 1bo9 h HIS 12 Ca -0.13 -0.37 -0.00 0.00 -2.20 0.00 0.00 60.37 57.67 1bo9 h HIS 12 Cb 1.88 -0.08 -0.00 0.00 1.55 0.00 0.00 27.41 30.75 1bo9 h HIS 12 CO 0.00 1.18 -0.01 -0.22 -1.30 0.00 0.00 177.93 177.59 1bo9 h LYS 13 N 0.01 0.00 -0.09 5.26 3.64 -1.44 -0.37 116.57 123.58 1bo9 h LYS 13 Ca -0.08 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 59.06 1bo9 h LYS 13 Cb 1.35 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.18 1bo9 h LYS 13 CO 0.13 0.01 -0.90 0.00 -2.27 0.00 0.00 179.45 176.42 1bo9 h ALA 14 N 1.99 0.24 0.00 5.00 0.00 -1.16 -2.69 119.26 122.64 1bo9 h ALA 14 Ca -0.00 -0.64 -0.05 0.00 0.00 0.00 0.00 54.91 54.21 1bo9 h ALA 14 Cb 0.84 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1bo9 h ALA 14 CO 0.00 0.69 -0.26 0.82 0.00 0.00 0.00 179.25 180.50 1bo9 h ILE 15 N 0.48 0.52 -0.33 0.00 2.04 -1.29 -2.88 117.51 116.05 1bo9 h ILE 15 Ca -0.09 -1.41 0.00 0.00 1.00 0.00 0.00 64.86 64.37 1bo9 h ILE 15 Cb 1.53 2.00 0.00 0.00 -0.74 0.00 0.00 36.82 39.61 1bo9 h ILE 15 CO 0.18 0.25 0.00 0.23 0.00 0.00 0.00 178.15 178.81 1bo9 n MET 16 N -3.27 2.32 -0.11 2.37 2.81 -0.16 -3.99 117.12 117.09 1bo9 n MET 16 Ca 0.01 -1.41 0.06 0.00 -1.81 0.00 0.00 57.70 54.55 1bo9 n MET 16 Cb 0.54 -1.55 0.22 0.00 -0.71 0.00 0.00 33.22 31.72 1bo9 n MET 16 CO 0.00 0.00 0.00 1.55 1.51 0.00 0.00 175.97 179.03 1bo9 n VAL 17 N 0.45 0.30 -2.27 2.03 3.14 -1.04 -4.89 118.33 116.05 1bo9 n VAL 17 Ca 0.13 -0.33 -0.05 0.00 -2.96 0.00 0.00 64.34 61.13 1bo9 n VAL 17 Cb 0.49 0.19 -0.01 0.00 -1.06 0.00 0.00 33.84 33.45 1bo9 n VAL 17 CO 0.00 0.00 0.00 2.29 -6.46 0.00 0.00 176.83 172.66 1bo9 n LYS 18 N 0.22 -2.44 -0.35 1.45 2.85 -1.26 -4.47 118.16 114.16 1bo9 n LYS 18 Ca 0.11 0.25 -0.01 0.00 -1.05 0.00 0.00 58.31 57.62 1bo9 n LYS 18 Cb 0.24 -4.73 -0.01 0.00 -0.65 0.00 0.00 35.03 29.89 1bo9 n LYS 18 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1bo9 n GLY 19 N -0.54 0.44 2.88 2.58 0.00 -1.26 -5.09 105.19 104.19 1bo9 n GLY 19 Ca -0.06 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.94 1bo9 n GLY 19 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1bo9 n VAL 20 N 0.00 -7.32 -0.14 1.61 0.31 -1.26 -4.75 118.33 106.77 1bo9 n VAL 20 Ca -0.02 1.36 0.20 0.00 -0.01 0.00 0.00 64.34 65.87 1bo9 n VAL 20 Cb 0.30 -4.85 0.60 0.00 -0.91 0.00 0.00 33.84 28.97 1bo9 n VAL 20 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 1bo9 h ASP 21 N 3.99 0.22 -3.58 4.52 3.58 -1.87 -3.44 116.42 119.83 1bo9 h ASP 21 Ca -0.16 0.02 -0.19 0.00 0.42 0.00 0.00 57.03 57.12 1bo9 h ASP 21 Cb 0.59 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.59 1bo9 h ASP 21 CO 0.03 0.10 -0.22 1.21 -2.88 0.00 0.00 179.24 177.47 1bo9 n GLU 22 N -4.42 -2.16 -0.82 0.28 2.13 -1.26 -4.65 120.64 109.74 1bo9 n GLU 22 Ca 0.15 0.47 -0.03 0.00 0.66 0.00 0.00 57.16 58.41 1bo9 n GLU 22 Cb 0.67 -4.96 -0.03 0.00 0.27 0.00 0.00 31.44 27.39 1bo9 n GLU 22 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1bo9 n ALA 23 N -1.79 2.88 0.00 4.31 0.00 -1.26 -4.89 120.51 119.75 1bo9 n ALA 23 Ca -0.11 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 52.75 1bo9 n ALA 23 Cb 0.52 -0.25 0.00 0.00 0.00 0.00 0.00 19.45 19.73 1bo9 n ALA 23 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1bo9 n THR 24 N 0.04 0.00 -0.09 0.00 -1.04 -1.26 -4.55 114.28 107.38 1bo9 n THR 24 Ca -0.13 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 61.80 1bo9 n THR 24 Cb 0.66 -0.46 0.08 0.00 -1.82 0.00 0.00 70.33 68.79 1bo9 n THR 24 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 1bo9 h ILE 25 N 0.00 1.27 0.00 12.58 5.03 -1.93 -1.67 117.51 132.79 1bo9 h ILE 25 Ca 0.00 -1.32 0.00 0.00 -0.12 0.00 0.00 64.86 63.42 1bo9 h ILE 25 Cb 0.05 1.18 0.00 0.00 -3.03 0.00 0.00 36.82 35.02 1bo9 h ILE 25 CO 0.00 0.44 0.00 -0.38 -0.68 0.00 0.00 178.15 177.53 1bo9 n ILE 26 N -4.12 0.46 0.03 -0.67 5.41 -1.26 -1.83 119.36 117.38 1bo9 n ILE 26 Ca 0.00 -0.21 -0.07 0.00 1.00 0.00 0.00 62.75 63.47 1bo9 n ILE 26 Cb 0.43 -0.57 -0.12 0.00 -0.71 0.00 0.00 39.64 38.66 1bo9 n ILE 26 CO 0.00 0.00 0.00 -0.78 0.00 0.00 0.00 176.55 175.77 1bo9 h ASP 27 N 0.00 0.00 0.39 4.38 3.58 -1.59 -3.34 116.42 119.83 1bo9 h ASP 27 Ca 0.00 0.00 -0.22 0.00 0.42 0.00 0.00 57.03 57.23 1bo9 h ASP 27 Cb 0.68 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.69 1bo9 h ASP 27 CO 0.00 0.96 -1.80 -0.38 -2.88 0.00 0.00 179.24 175.15 1bo9 n ILE 28 N -3.19 1.15 0.31 2.25 5.41 -0.70 -2.97 119.36 121.61 1bo9 n ILE 28 Ca -0.08 -0.73 0.20 0.00 1.00 0.00 0.00 62.75 63.15 1bo9 n ILE 28 Cb 0.98 -0.61 0.95 0.00 -0.71 0.00 0.00 39.64 40.24 1bo9 n ILE 28 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1bo9 h LEU 29 N 0.00 0.00 0.00 1.39 3.38 -1.50 -2.05 115.31 116.53 1bo9 h LEU 29 Ca -0.26 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.47 1bo9 h LEU 29 Cb 1.75 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.46 1bo9 h LEU 29 CO 0.04 0.00 -1.90 0.35 0.09 0.00 0.00 178.44 177.02 1bo9 n THR 30 N -3.09 0.90 0.23 0.22 -2.24 -1.25 -4.39 114.28 104.65 1bo9 n THR 30 Ca -0.01 -0.54 0.08 0.00 -2.27 0.00 0.00 64.05 61.31 1bo9 n THR 30 Cb 0.19 -0.69 0.57 0.00 -2.10 0.00 0.00 70.33 68.31 1bo9 n THR 30 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1bo9 h LYS 31 N 0.00 0.00 -6.31 -0.78 1.57 -1.41 -3.43 116.57 106.21 1bo9 h LYS 31 Ca -0.36 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 57.89 1bo9 h LYS 31 Cb 1.79 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.09 1bo9 h LYS 31 CO 0.01 0.20 -0.18 0.50 -0.57 0.00 0.00 179.45 179.41 1bo9 s ARG 32 N -4.29 2.26 0.00 3.15 6.06 -0.79 -4.98 118.95 120.35 1bo9 s ARG 32 Ca -0.03 -1.85 0.00 0.00 -2.50 0.00 0.00 55.73 51.35 1bo9 s ARG 32 Cb 0.14 -2.38 0.00 0.00 0.06 0.00 0.00 34.95 32.77 1bo9 s ARG 32 CO 0.65 -0.78 0.00 -1.71 -2.50 0.00 0.00 175.30 170.96 1bo9 n ASN 33 N -2.04 0.00 -0.08 -2.12 5.15 -1.26 -4.92 115.26 109.99 1bo9 n ASN 33 Ca 0.08 -0.63 -0.10 0.00 -0.60 0.00 0.00 54.58 53.33 1bo9 n ASN 33 Cb 0.63 0.00 -0.15 0.00 -0.53 0.00 0.00 39.78 39.73 1bo9 n ASN 33 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1bo9 n ASN 34 N -1.88 0.27 0.25 1.20 3.02 -1.26 -3.99 115.26 112.88 1bo9 n ASN 34 Ca 0.00 0.12 0.14 0.00 -0.03 0.00 0.00 54.58 54.81 1bo9 n ASN 34 Cb 0.00 0.68 0.57 0.00 -0.61 0.00 0.00 39.78 40.42 1bo9 n ASN 34 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1bo9 h ALA 35 N 0.99 1.01 0.00 5.41 0.00 -1.90 -2.19 119.26 122.58 1bo9 h ALA 35 Ca -0.47 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1bo9 h ALA 35 Cb 2.18 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.96 1bo9 h ALA 35 CO 0.04 0.11 -0.25 1.04 0.00 0.00 0.00 179.25 180.19 1bo9 n GLN 36 N -3.22 0.12 0.16 0.00 1.13 -1.26 -3.60 117.38 110.71 1bo9 n GLN 36 Ca 0.01 0.06 -0.07 0.00 -1.94 0.00 0.00 57.00 55.06 1bo9 n GLN 36 Cb 0.37 -1.60 -0.03 0.00 0.11 0.00 0.00 30.24 29.08 1bo9 n GLN 36 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1bo9 h ARG 37 N 0.00 -0.43 0.00 -1.09 -0.00 -1.52 -0.68 114.38 110.66 1bo9 h ARG 37 Ca 0.00 0.03 0.00 0.00 -0.50 0.00 0.00 59.98 59.51 1bo9 h ARG 37 Cb 0.60 0.10 0.00 0.00 0.00 0.00 0.00 29.97 30.67 1bo9 h ARG 37 CO 0.00 -0.28 0.00 -0.56 0.00 0.00 0.00 179.97 179.13 1bo9 h GLN 38 N -0.79 0.00 0.00 0.04 -0.00 -1.72 -0.48 115.11 112.16 1bo9 h GLN 38 Ca -0.05 0.00 -0.23 0.00 -0.00 0.00 0.00 58.65 58.38 1bo9 h GLN 38 Cb 0.34 0.00 -0.04 0.00 -0.00 0.00 0.00 27.48 27.78 1bo9 h GLN 38 CO 0.07 0.00 -1.28 1.96 -0.00 0.00 0.00 178.83 179.59 1bo9 h GLN 39 N 0.00 0.00 0.00 0.06 4.20 -1.60 -3.24 115.11 114.52 1bo9 h GLN 39 Ca 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1bo9 h GLN 39 Cb 0.10 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.88 1bo9 h GLN 39 CO 0.00 0.67 -0.05 0.82 -0.67 0.00 0.00 178.83 179.60 1bo9 h ILE 40 N 0.00 0.09 0.00 2.54 2.04 0.50 -2.95 117.51 119.73 1bo9 h ILE 40 Ca -0.14 -0.95 -0.03 0.00 1.00 0.00 0.00 64.86 64.74 1bo9 h ILE 40 Cb 1.81 1.88 -0.00 0.00 -0.74 0.00 0.00 36.82 39.76 1bo9 h ILE 40 CO 0.09 0.04 -0.16 0.11 0.00 0.00 0.00 178.15 178.24 1bo9 h LYS 41 N 0.00 0.00 0.55 2.37 1.57 -1.44 -2.41 116.57 117.22 1bo9 h LYS 41 Ca -0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1bo9 h LYS 41 Cb 0.88 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.19 1bo9 h LYS 41 CO 0.01 0.16 -0.27 0.00 -0.57 0.00 0.00 179.45 178.78 1bo9 h ALA 42 N 1.84 -0.74 -1.00 3.86 0.00 -1.66 -1.61 119.26 119.95 1bo9 h ALA 42 Ca -0.00 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.73 1bo9 h ALA 42 Cb 0.40 0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.42 1bo9 h ALA 42 CO 0.02 -0.73 0.66 0.00 0.00 0.00 0.00 179.25 179.21 1bo9 h ALA 43 N -1.01 1.27 -0.36 0.00 0.00 -1.68 -1.40 119.26 116.07 1bo9 h ALA 43 Ca -0.08 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 1bo9 h ALA 43 Cb 0.62 -0.41 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1bo9 h ALA 43 CO 0.12 0.66 0.04 -0.92 0.00 0.00 0.00 179.25 179.16 1bo9 h TYR 44 N 1.36 0.56 -0.57 0.00 3.20 -1.48 -1.76 116.97 118.28 1bo9 h TYR 44 Ca 0.37 -0.04 -0.09 0.00 3.14 0.00 0.00 58.73 62.10 1bo9 h TYR 44 Cb -0.16 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 37.93 1bo9 h TYR 44 CO -0.00 0.51 -0.01 1.25 -1.64 0.00 0.00 178.16 178.28 1bo9 h LEU 45 N 0.53 0.96 0.91 2.82 5.85 -0.25 -2.39 115.31 123.74 1bo9 h LEU 45 Ca 0.12 -0.26 -0.04 0.00 0.84 0.00 0.00 57.88 58.53 1bo9 h LEU 45 Cb 0.27 -0.26 0.01 0.00 0.37 0.00 0.00 40.66 41.05 1bo9 h LEU 45 CO 0.00 1.02 -0.44 1.56 -0.34 0.00 0.00 178.44 180.24 1bo9 h GLN 46 N 0.90 -1.18 0.00 1.25 1.08 -0.65 0.27 115.11 116.78 1bo9 h GLN 46 Ca 0.16 0.08 0.00 0.00 -1.45 0.00 0.00 58.65 57.44 1bo9 h GLN 46 Cb 0.53 0.27 0.00 0.00 -0.05 0.00 0.00 27.48 28.23 1bo9 h GLN 46 CO 0.03 -0.79 0.00 0.39 -0.95 0.00 0.00 178.83 177.51 1bo9 n GLU 47 N -5.32 0.00 -0.00 1.46 -0.58 -0.96 -3.90 120.64 111.33 1bo9 n GLU 47 Ca -0.15 0.22 -0.11 0.00 -0.42 0.00 0.00 57.16 56.70 1bo9 n GLU 47 Cb 0.48 -1.19 -0.05 0.00 -0.57 0.00 0.00 31.44 30.11 1bo9 n GLU 47 CO 0.00 0.00 0.00 1.79 -0.48 0.00 0.00 177.13 178.44 1bo9 h THR 48 N 0.00 1.01 0.00 2.62 1.35 -1.58 -3.47 112.91 112.84 1bo9 h THR 48 Ca 0.00 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 65.82 1bo9 h THR 48 Cb 0.00 0.88 0.00 0.00 -1.73 0.00 0.00 68.15 67.30 1bo9 h THR 48 CO 0.00 0.02 0.00 0.61 -0.25 0.00 0.00 175.52 175.90 1bo9 n GLY 49 N -1.12 1.70 3.96 5.82 0.00 0.93 -5.05 105.19 111.42 1bo9 n GLY 49 Ca -0.05 -0.17 -0.23 0.00 0.00 0.00 0.00 46.02 45.57 1bo9 n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bo9 s LYS 50 N 0.00 2.62 0.74 1.61 3.01 -1.26 -4.86 119.74 121.60 1bo9 s LYS 50 Ca 0.00 -0.56 -0.11 0.00 -1.01 0.00 0.00 55.97 54.29 1bo9 s LYS 50 Cb 0.00 -2.42 0.04 0.00 -1.01 0.00 0.00 37.83 34.43 1bo9 s LYS 50 CO 0.00 -0.72 1.10 -1.25 0.51 0.00 0.00 175.35 174.99 1bo9 s PRO 51 N -4.83 2.55 0.28 -1.68 0.04 -1.26 -3.98 135.00 126.12 1bo9 s PRO 51 Ca 0.56 0.51 0.22 0.00 0.04 0.00 0.00 61.00 62.33 1bo9 s PRO 51 Cb -0.10 -1.98 0.11 0.00 0.04 0.00 0.00 34.50 32.56 1bo9 s PRO 51 CO 0.40 -1.26 1.23 1.25 0.04 0.00 0.00 177.00 178.66 1bo9 h LEU 52 N -0.82 0.00 0.00 -3.56 5.85 -1.94 -3.21 115.31 111.63 1bo9 h LEU 52 Ca -0.46 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.19 1bo9 h LEU 52 Cb 1.26 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.28 1bo9 h LEU 52 CO 0.62 0.06 -0.50 -0.78 -0.34 0.00 0.00 178.44 177.50 1bo9 h ASP 53 N 0.00 0.00 -0.50 1.25 3.58 -1.97 -3.02 116.42 115.76 1bo9 h ASP 53 Ca -0.01 -0.51 -0.00 0.00 0.42 0.00 0.00 57.03 56.93 1bo9 h ASP 53 Cb 1.06 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.08 1bo9 h ASP 53 CO 0.01 1.04 0.29 -0.08 -2.88 0.00 0.00 179.24 177.62 1bo9 h GLU 54 N -1.00 0.68 0.64 0.28 4.57 -1.99 -0.46 114.58 117.31 1bo9 h GLU 54 Ca -0.12 -0.07 -0.03 0.00 -1.18 0.00 0.00 59.36 57.97 1bo9 h GLU 54 Cb 0.85 -0.14 0.01 0.00 -0.16 0.00 0.00 28.75 29.31 1bo9 h GLU 54 CO -0.07 0.51 -0.31 1.15 -1.18 0.00 0.00 179.01 179.11 1bo9 h THR 55 N 0.67 0.35 0.00 0.32 2.02 -1.73 -2.01 112.91 112.52 1bo9 h THR 55 Ca 0.18 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.28 1bo9 h THR 55 Cb 0.01 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 66.80 1bo9 h THR 55 CO -0.03 0.01 0.05 -0.07 0.37 0.00 0.00 175.52 175.84 1bo9 h LEU 56 N -0.92 0.00 -0.25 2.58 3.38 -1.44 -1.03 115.31 117.64 1bo9 h LEU 56 Ca -0.09 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.67 1bo9 h LEU 56 Cb 0.68 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 1bo9 h LEU 56 CO 0.14 0.00 -0.88 0.50 0.09 0.00 0.00 178.44 178.29 1bo9 h LYS 57 N 0.00 0.36 0.00 1.13 3.64 -0.34 -3.23 116.57 118.14 1bo9 h LYS 57 Ca 0.00 -0.37 0.00 0.00 -1.27 0.00 0.00 60.65 59.01 1bo9 h LYS 57 Cb 0.09 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1bo9 h LYS 57 CO 0.00 1.04 -0.80 1.63 -2.27 0.00 0.00 179.45 179.05 1bo9 n LYS 58 N -3.75 0.16 0.51 1.90 5.02 -0.50 -4.38 118.16 117.12 1bo9 n LYS 58 Ca -0.05 0.01 -0.20 0.00 -2.02 0.00 0.00 58.31 56.04 1bo9 n LYS 58 Cb 0.80 -1.56 -0.10 0.00 -0.02 0.00 0.00 35.03 34.15 1bo9 n LYS 58 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1bo9 h ALA 59 N 2.75 -1.30 -3.71 7.82 0.00 -1.27 -3.44 119.26 120.11 1bo9 h ALA 59 Ca 0.00 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.55 1bo9 h ALA 59 Cb 0.63 0.50 0.02 0.00 0.00 0.00 0.00 17.79 18.94 1bo9 h ALA 59 CO 0.00 -1.21 0.03 1.28 0.00 0.00 0.00 179.25 179.36 1bo9 n LEU 60 N -5.64 0.00 0.00 0.00 4.77 -1.26 -4.85 117.00 110.03 1bo9 n LEU 60 Ca -0.16 -0.32 0.00 0.00 -0.03 0.00 0.00 56.01 55.50 1bo9 n LEU 60 Cb 0.51 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 1bo9 n LEU 60 CO 0.39 -0.60 0.00 0.35 -1.33 0.00 0.00 177.39 176.20 1bo9 n THR 61 N -1.82 0.00 -1.83 -5.08 -2.24 -1.26 -4.83 114.28 97.22 1bo9 n THR 61 Ca 0.03 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.41 1bo9 n THR 61 Cb 0.10 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.32 1bo9 n THR 61 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bo9 n GLY 62 N -0.68 4.91 2.41 3.38 0.00 -1.26 -4.63 105.19 109.32 1bo9 n GLY 62 Ca 0.00 -1.90 -0.18 0.00 0.00 0.00 0.00 46.02 43.94 1bo9 n GLY 62 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1bo9 n HIS 63 N 2.49 -0.12 0.02 1.61 -0.00 -1.26 -4.81 115.22 113.14 1bo9 n HIS 63 Ca 0.65 0.00 -0.22 0.00 -0.00 0.00 0.00 57.72 58.15 1bo9 n HIS 63 Cb 0.25 -3.20 -0.14 0.00 -0.00 0.00 0.00 29.99 26.91 1bo9 n HIS 63 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.34 176.27 1bo9 h LEU 64 N 0.00 0.44 -1.46 0.27 3.38 -1.94 -3.32 115.31 112.68 1bo9 h LEU 64 Ca -0.38 -0.91 -0.05 0.00 0.09 0.00 0.00 57.88 56.62 1bo9 h LEU 64 Cb 1.20 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 1bo9 h LEU 64 CO 0.55 1.80 -0.26 1.05 0.09 0.00 0.00 178.44 181.67 1bo9 h GLU 65 N -0.03 0.00 0.00 1.13 4.11 -1.87 -2.02 114.58 115.90 1bo9 h GLU 65 Ca -0.39 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.01 1bo9 h GLU 65 Cb 1.98 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.22 1bo9 h GLU 65 CO 0.09 0.26 -0.16 0.93 0.07 0.00 0.00 179.01 180.20 1bo9 h GLU 66 N 0.00 0.00 0.04 1.06 4.39 -1.93 -1.58 114.58 116.56 1bo9 h GLU 66 Ca -0.00 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.56 1bo9 h GLU 66 Cb 0.56 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.20 1bo9 h GLU 66 CO 0.03 0.16 -0.73 0.28 -1.16 0.00 0.00 179.01 177.59 1bo9 h VAL 67 N 0.00 1.36 -0.01 3.13 2.07 -1.48 -3.07 116.25 118.25 1bo9 h VAL 67 Ca -0.00 -2.33 0.00 0.00 0.82 0.00 0.00 66.70 65.19 1bo9 h VAL 67 Cb 0.28 2.91 -0.00 0.00 -1.52 0.00 0.00 31.29 32.96 1bo9 h VAL 67 CO 0.02 0.55 0.02 0.58 0.02 0.00 0.00 177.57 178.76 1bo9 h VAL 68 N -0.79 0.28 0.01 2.57 2.07 -1.34 -0.92 116.25 118.13 1bo9 h VAL 68 Ca -0.18 0.00 -0.26 0.00 0.82 0.00 0.00 66.70 67.09 1bo9 h VAL 68 Cb 1.31 0.98 -0.04 0.00 -1.52 0.00 0.00 31.29 32.03 1bo9 h VAL 68 CO -0.03 0.00 -1.39 0.25 0.02 0.00 0.00 177.57 176.42 1bo9 h LEU 69 N 0.00 0.05 -0.60 2.57 5.85 -1.38 -3.33 115.31 118.47 1bo9 h LEU 69 Ca 0.00 -0.07 -0.13 0.00 0.84 0.00 0.00 57.88 58.52 1bo9 h LEU 69 Cb 0.04 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 1bo9 h LEU 69 CO -0.00 1.06 -0.33 0.00 -0.34 0.00 0.00 178.44 178.83 1bo9 h ALA 70 N 0.93 0.78 -0.78 1.25 0.00 -1.08 -2.97 119.26 117.40 1bo9 h ALA 70 Ca -0.16 -0.42 -0.57 0.00 0.00 0.00 0.00 54.91 53.76 1bo9 h ALA 70 Cb 1.91 -0.13 -0.23 0.00 0.00 0.00 0.00 17.79 19.35 1bo9 h ALA 70 CO 0.11 0.65 0.70 1.47 0.00 0.00 0.00 179.25 182.19 1bo9 n LEU 71 N -4.07 7.13 -0.01 0.00 -0.00 -0.96 -4.17 117.00 114.92 1bo9 n LEU 71 Ca -0.01 -4.08 0.04 0.00 -0.00 0.00 0.00 56.01 51.96 1bo9 n LEU 71 Cb 0.50 -1.06 -0.04 0.00 -0.00 0.00 0.00 43.42 42.81 1bo9 n LEU 71 CO 0.46 1.50 -0.00 -0.11 -0.00 0.00 0.00 177.39 179.23 1bo9 n LEU 72 N -0.20 0.43 0.00 1.47 0.00 -1.12 -4.82 117.00 112.75 1bo9 n LEU 72 Ca 0.50 -0.52 0.00 0.00 0.00 0.00 0.00 56.01 55.99 1bo9 n LEU 72 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.96 1bo9 n LEU 72 CO 0.55 0.10 0.00 2.29 0.00 0.00 0.00 177.39 180.34