#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x37 n GLY 2 N 0.00 -1.66 3.74 0.00 0.00 -1.26 -5.14 105.19 100.87 1x37 n GLY 2 Ca 0.00 0.77 -0.40 0.00 0.00 0.00 0.00 46.02 46.39 1x37 n GLY 2 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1x37 s TYR 3 N 0.00 3.91 0.15 1.61 2.02 -1.26 -5.05 117.35 118.73 1x37 s TYR 3 Ca 0.00 1.87 0.10 0.00 -0.37 0.00 0.00 57.07 58.67 1x37 s TYR 3 Cb 0.00 -3.02 -0.04 0.00 -0.40 0.00 0.00 41.96 38.50 1x37 s TYR 3 CO 0.00 0.31 -0.23 0.95 -1.57 0.00 0.00 175.55 175.02 1x37 s THR 4 N -0.79 2.07 0.34 -0.71 -4.23 -1.26 -5.01 115.64 106.06 1x37 s THR 4 Ca 0.43 -1.83 0.13 0.00 -1.18 0.00 0.00 61.69 59.24 1x37 s THR 4 Cb -0.25 -1.91 0.33 0.00 1.34 0.00 0.00 72.50 72.01 1x37 s THR 4 CO 0.32 -0.09 1.69 -0.33 -0.54 0.00 0.00 174.62 175.66 1x37 h GLU 5 N 3.58 0.40 0.63 3.99 5.08 -1.99 -0.94 114.58 125.33 1x37 h GLU 5 Ca -0.47 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 57.84 1x37 h GLU 5 Cb 1.19 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.35 1x37 h GLU 5 CO 0.44 0.27 -0.39 0.82 -1.00 0.00 0.00 179.01 179.15 1x37 h ILE 6 N 0.41 0.00 -0.38 3.13 1.08 -1.98 0.89 117.51 120.66 1x37 h ILE 6 Ca 0.70 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 65.22 1x37 h ILE 6 Cb 1.53 0.00 -0.08 0.00 -3.07 0.00 0.00 36.82 35.20 1x37 h ILE 6 CO -0.55 0.00 -0.53 -0.08 -0.69 0.00 0.00 178.15 176.30 1x37 h GLU 7 N -0.95 -0.39 -0.99 2.37 4.57 -1.60 0.31 114.58 117.89 1x37 h GLU 7 Ca -0.08 0.03 0.20 0.00 -1.18 0.00 0.00 59.36 58.32 1x37 h GLU 7 Cb 0.77 0.09 -0.11 0.00 -0.16 0.00 0.00 28.75 29.33 1x37 h GLU 7 CO 0.08 -0.26 0.60 0.87 -1.18 0.00 0.00 179.01 179.12 1x37 h LYS 8 N -0.41 0.70 -0.26 1.92 1.57 -1.31 0.13 116.57 118.91 1x37 h LYS 8 Ca 0.08 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1x37 h LYS 8 Cb 0.61 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 1x37 h LYS 8 CO -0.58 0.46 0.08 1.25 -0.57 0.00 0.00 179.45 180.09 1x37 h LEU 9 N 0.72 0.39 0.48 2.94 7.12 0.21 0.18 115.31 127.34 1x37 h LEU 9 Ca 0.59 -0.21 -0.01 0.00 0.13 0.00 0.00 57.88 58.37 1x37 h LEU 9 Cb 0.94 -0.10 -0.02 0.00 -0.53 0.00 0.00 40.66 40.96 1x37 h LEU 9 CO -0.40 0.50 -0.42 -0.33 -0.13 0.00 0.00 178.44 177.66 1x37 h GLU 10 N 0.25 -0.87 0.48 1.25 5.08 0.12 -1.42 114.58 119.48 1x37 h GLU 10 Ca 0.08 0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.48 1x37 h GLU 10 Cb 0.25 0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1x37 h GLU 10 CO -0.00 -0.58 -0.23 -0.84 -1.00 0.00 0.00 179.01 176.36 1x37 h ILE 11 N -0.90 0.00 -1.11 3.13 3.07 -1.31 -0.71 117.51 119.68 1x37 h ILE 11 Ca -0.05 -0.20 0.42 0.00 1.55 0.00 0.00 64.86 66.58 1x37 h ILE 11 Cb 0.78 0.00 -0.15 0.00 -0.27 0.00 0.00 36.82 37.17 1x37 h ILE 11 CO -0.03 0.00 0.65 0.52 -1.05 0.00 0.00 178.15 178.25 1x37 n VAL 12 N -4.30 -0.33 0.12 0.16 0.31 0.62 0.22 118.33 115.13 1x37 n VAL 12 Ca -0.08 1.83 -0.24 0.00 -0.01 0.00 0.00 64.34 65.85 1x37 n VAL 12 Cb 0.26 -2.99 -0.15 0.00 -0.91 0.00 0.00 33.84 30.04 1x37 n VAL 12 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1x37 h LYS 13 N 0.00 0.47 0.21 5.55 3.64 -1.16 -3.26 116.57 122.02 1x37 h LYS 13 Ca 0.82 -0.80 -0.30 0.00 -1.27 0.00 0.00 60.65 59.10 1x37 h LYS 13 Cb 2.38 0.30 0.03 0.00 -0.41 0.00 0.00 32.23 34.52 1x37 h LYS 13 CO -0.61 1.38 -1.37 -0.44 -2.27 0.00 0.00 179.45 176.14 1x37 h ASP 14 N 0.13 0.69 -0.20 4.20 5.19 0.14 -3.37 116.42 123.19 1x37 h ASP 14 Ca -0.28 -0.93 -0.16 0.00 -0.62 0.00 0.00 57.03 55.04 1x37 h ASP 14 Cb 2.14 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 41.41 1x37 h ASP 14 CO 0.23 1.65 -0.45 1.12 -3.12 0.00 0.00 179.24 178.68 1x37 h HIS 15 N -0.02 0.93 -1.08 4.55 2.07 -0.52 -3.27 115.15 117.81 1x37 h HIS 15 Ca -0.25 -0.29 0.41 0.00 -2.85 0.00 0.00 60.37 57.38 1x37 h HIS 15 Cb 2.01 -0.19 -0.14 0.00 2.57 0.00 0.00 27.41 31.66 1x37 h HIS 15 CO 0.14 1.07 0.65 1.47 -3.07 0.00 0.00 177.93 178.19 1x37 n LEU 16 N -4.02 0.25 0.03 6.12 -0.00 -1.23 -0.32 117.00 117.84 1x37 n LEU 16 Ca -0.03 1.37 -0.02 0.00 -0.00 0.00 0.00 56.01 57.34 1x37 n LEU 16 Cb 0.56 -0.67 -0.01 0.00 -0.00 0.00 0.00 43.42 43.30 1x37 n LEU 16 CO 0.48 -1.52 0.20 -0.07 -0.00 0.00 0.00 177.39 176.48 1x37 h LEU 17 N 0.00 -0.08 -0.18 1.47 3.38 -1.81 -3.33 115.31 114.76 1x37 h LEU 17 Ca 0.78 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.72 1x37 h LEU 17 Cb 2.32 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 43.08 1x37 h LEU 17 CO -0.55 -0.00 -0.01 1.55 0.09 0.00 0.00 178.44 179.51 1x37 h PRO 18 N -0.21 0.33 0.00 1.13 0.13 -1.59 -2.31 132.00 129.47 1x37 h PRO 18 Ca -0.01 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 1x37 h PRO 18 Cb 0.08 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.18 1x37 h PRO 18 CO 0.02 0.55 0.00 1.17 -0.23 0.00 0.00 178.00 179.51 1x37 n LYS 19 N -4.70 0.00 0.15 0.86 0.00 0.57 -0.16 118.16 114.88 1x37 n LYS 19 Ca -0.05 0.85 -0.14 0.00 0.00 0.00 0.00 58.31 58.98 1x37 n LYS 19 Cb 0.24 -1.45 -0.08 0.00 0.00 0.00 0.00 35.03 33.74 1x37 n LYS 19 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 1x37 h GLN 20 N 0.00 -0.33 -1.07 1.64 1.08 -1.69 -2.95 115.11 111.80 1x37 h GLN 20 Ca 0.00 0.02 0.30 0.00 -1.45 0.00 0.00 58.65 57.53 1x37 h GLN 20 Cb 0.00 0.07 -0.12 0.00 -0.05 0.00 0.00 27.48 27.38 1x37 h GLN 20 CO 0.00 -0.10 0.66 0.82 -0.95 0.00 0.00 178.83 179.26 1x37 h ILE 21 N -0.51 0.40 0.00 2.54 1.08 -1.24 0.13 117.51 119.91 1x37 h ILE 21 Ca -0.03 -0.13 0.00 0.00 -0.39 0.00 0.00 64.86 64.31 1x37 h ILE 21 Cb 0.38 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.13 1x37 h ILE 21 CO 0.06 0.07 0.00 1.17 -0.69 0.00 0.00 178.15 178.75 1x37 n LYS 22 N -4.81 0.00 -0.36 2.37 4.81 0.78 0.63 118.16 121.57 1x37 n LYS 22 Ca 0.29 0.00 0.31 0.00 -0.87 0.00 0.00 58.31 58.04 1x37 n LYS 22 Cb 0.97 -0.83 0.57 0.00 0.02 0.00 0.00 35.03 35.76 1x37 n LYS 22 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1x37 h GLU 23 N 0.00 0.13 0.21 1.64 4.57 -1.55 1.24 114.58 120.81 1x37 h GLU 23 Ca 0.00 -0.01 -0.32 0.00 -1.18 0.00 0.00 59.36 57.85 1x37 h GLU 23 Cb 0.00 -0.03 0.02 0.00 -0.16 0.00 0.00 28.75 28.58 1x37 h GLU 23 CO 0.00 0.08 -1.44 0.45 -1.18 0.00 0.00 179.01 176.92 1x37 h HIS 24 N 0.13 0.79 -1.28 0.92 3.86 -0.74 -3.29 115.15 115.55 1x37 h HIS 24 Ca 0.80 -0.58 0.46 0.00 -1.16 0.00 0.00 60.37 59.90 1x37 h HIS 24 Cb 2.16 -0.03 -0.15 0.00 1.06 0.00 0.00 27.41 30.45 1x37 h HIS 24 CO -0.01 1.48 0.80 0.41 0.86 0.00 0.00 177.93 181.47 1x37 n GLY 25 N 1.67 -0.82 0.29 2.45 0.00 2.74 -0.08 105.19 111.44 1x37 n GLY 25 Ca -0.15 0.77 0.28 0.00 0.00 0.00 0.00 46.02 46.92 1x37 n GLY 25 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1x37 n LEU 26 N -4.86 0.29 -4.98 0.99 7.94 -1.04 -4.15 117.00 111.18 1x37 n LEU 26 Ca 0.40 1.40 -0.20 0.00 -1.11 0.00 0.00 56.01 56.49 1x37 n LEU 26 Cb 1.50 -0.68 -0.02 0.00 0.53 0.00 0.00 43.42 44.75 1x37 n LEU 26 CO 0.14 -1.56 -0.01 -0.75 -1.11 0.00 0.00 177.39 174.09 1x37 s LYS 27 N -5.27 3.35 0.71 1.96 2.47 0.89 -5.05 119.74 118.79 1x37 s LYS 27 Ca -0.08 -0.83 -0.17 0.00 -1.56 0.00 0.00 55.97 53.34 1x37 s LYS 27 Cb 0.29 -2.87 -0.10 0.00 -1.46 0.00 0.00 37.83 33.70 1x37 s LYS 27 CO 0.67 0.32 0.05 0.36 0.16 0.00 0.00 175.35 176.91 1x37 n LYS 28 N -1.48 0.14 -1.50 4.03 2.85 -1.26 -4.38 118.16 116.55 1x37 n LYS 28 Ca -0.06 0.07 -0.31 0.00 -1.05 0.00 0.00 58.31 56.95 1x37 n LYS 28 Cb 0.57 -1.39 -0.18 0.00 -0.65 0.00 0.00 35.03 33.38 1x37 n LYS 28 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1x37 n SER 29 N 1.37 -0.40 -2.26 -5.58 2.88 -1.26 -4.71 113.62 103.66 1x37 n SER 29 Ca 0.07 -0.24 -0.26 0.00 -1.33 0.00 0.00 58.87 57.11 1x37 n SER 29 Cb 0.50 -0.79 0.01 0.00 -0.75 0.00 0.00 64.21 63.18 1x37 n SER 29 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1x37 n ASN 30 N 8.68 4.95 -3.64 -3.46 4.05 -1.26 -4.00 115.26 120.58 1x37 n ASN 30 Ca 0.65 -3.74 -0.08 0.00 0.45 0.00 0.00 54.58 51.87 1x37 n ASN 30 Cb 0.11 -0.43 -0.07 0.00 1.23 0.00 0.00 39.78 40.63 1x37 n ASN 30 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 177.26 173.99 1x37 s LEU 31 N -3.59 -0.88 -0.42 1.20 2.96 -1.26 -4.27 118.68 112.42 1x37 s LEU 31 Ca 0.50 1.44 0.04 0.00 -0.22 0.00 0.00 54.13 55.89 1x37 s LEU 31 Cb 0.41 2.33 0.17 0.00 0.50 0.00 0.00 46.19 49.61 1x37 s LEU 31 CO -0.08 -0.23 0.38 0.00 -1.32 0.00 0.00 176.35 175.10 1x37 n GLN 32 N 4.02 0.22 -3.22 1.98 1.13 0.55 -4.77 117.38 117.30 1x37 n GLN 32 Ca -0.19 -3.06 -0.39 0.00 -1.94 0.00 0.00 57.00 51.42 1x37 n GLN 32 Cb 0.58 -1.64 -0.05 0.00 0.11 0.00 0.00 30.24 29.24 1x37 n GLN 32 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1x37 s LEU 33 N 0.11 4.31 0.07 1.08 1.02 -1.26 -1.46 118.68 122.55 1x37 s LEU 33 Ca 0.33 0.98 -0.00 0.00 0.02 0.00 0.00 54.13 55.45 1x37 s LEU 33 Cb 0.04 -2.84 -0.04 0.00 0.02 0.00 0.00 46.19 43.36 1x37 s LEU 33 CO -0.18 -0.02 0.23 -0.60 0.02 0.00 0.00 176.35 175.79 1x37 s ARG 34 N 0.56 3.46 0.18 1.70 3.00 -1.24 -4.98 118.95 121.63 1x37 s ARG 34 Ca 0.30 -0.41 -0.21 0.00 -1.00 0.00 0.00 55.73 54.41 1x37 s ARG 34 Cb -0.16 -3.02 0.10 0.00 0.00 0.00 0.00 34.95 31.87 1x37 s ARG 34 CO 0.14 0.59 1.60 -0.44 0.00 0.00 0.00 175.30 177.19 1x37 h ASP 35 N 3.01 -0.99 -0.85 -2.12 5.19 -1.97 0.16 116.42 118.83 1x37 h ASP 35 Ca -0.45 0.19 0.15 0.00 -0.62 0.00 0.00 57.03 56.30 1x37 h ASP 35 Cb 1.16 0.49 -0.10 0.00 0.18 0.00 0.00 39.33 41.07 1x37 h ASP 35 CO 0.75 -0.29 0.44 -0.61 -3.12 0.00 0.00 179.24 176.41 1x37 h GLN 36 N -0.19 0.59 0.00 3.56 5.75 -1.96 -0.93 115.11 121.93 1x37 h GLN 36 Ca 0.20 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.67 1x37 h GLN 36 Cb 0.52 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 28.94 1x37 h GLN 36 CO -0.58 0.39 0.00 0.00 -2.65 0.00 0.00 178.83 176.00 1x37 n ALA 37 N -2.43 -0.31 -0.30 3.38 0.00 0.51 -1.74 120.51 119.63 1x37 n ALA 37 Ca 0.17 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.75 1x37 n ALA 37 Cb 0.45 0.14 0.30 0.00 0.00 0.00 0.00 19.45 20.33 1x37 n ALA 37 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1x37 h ILE 38 N 0.00 0.32 -0.55 0.00 2.04 -1.25 0.25 117.51 118.33 1x37 h ILE 38 Ca 0.00 -0.08 0.11 0.00 1.00 0.00 0.00 64.86 65.89 1x37 h ILE 38 Cb 0.00 0.08 -0.11 0.00 -0.74 0.00 0.00 36.82 36.05 1x37 h ILE 38 CO 0.00 0.04 -0.26 0.25 0.00 0.00 0.00 178.15 178.18 1x37 h LEU 39 N 0.22 -0.91 -1.00 1.44 6.46 -0.72 0.35 115.31 121.16 1x37 h LEU 39 Ca 0.56 0.20 0.00 0.00 -0.12 0.00 0.00 57.88 58.52 1x37 h LEU 39 Cb 1.13 0.48 -0.05 0.00 -0.73 0.00 0.00 40.66 41.49 1x37 h LEU 39 CO -0.64 -0.27 0.62 0.44 -0.62 0.00 0.00 178.44 177.97 1x37 h ASP 40 N -0.12 1.14 0.00 1.25 5.19 0.34 0.97 116.42 125.18 1x37 h ASP 40 Ca 0.24 -0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.61 1x37 h ASP 40 Cb 0.51 -0.29 0.00 0.00 0.18 0.00 0.00 39.33 39.74 1x37 h ASP 40 CO -0.63 0.85 0.00 -0.38 -3.12 0.00 0.00 179.24 175.96 1x37 n ILE 41 N -4.37 0.00 -0.30 0.35 5.41 0.11 -0.53 119.36 120.04 1x37 n ILE 41 Ca 0.11 1.38 0.10 0.00 1.00 0.00 0.00 62.75 65.34 1x37 n ILE 41 Cb 0.03 -2.34 0.26 0.00 -0.71 0.00 0.00 39.64 36.88 1x37 n ILE 41 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 176.55 176.71 1x37 h ILE 42 N 0.00 0.58 -0.98 1.39 3.07 -1.16 0.40 117.51 120.82 1x37 h ILE 42 Ca 0.00 -0.17 0.13 0.00 1.55 0.00 0.00 64.86 66.37 1x37 h ILE 42 Cb 0.00 0.06 -0.08 0.00 -0.27 0.00 0.00 36.82 36.53 1x37 h ILE 42 CO 0.00 0.09 0.62 -0.09 -1.05 0.00 0.00 178.15 177.72 1x37 h ARG 43 N 0.48 0.90 -0.36 0.16 9.65 -0.65 1.77 114.38 126.34 1x37 h ARG 43 Ca 0.51 -0.05 -0.16 0.00 -1.10 0.00 0.00 59.98 59.17 1x37 h ARG 43 Cb 0.87 -0.20 -0.01 0.00 -1.39 0.00 0.00 29.97 29.24 1x37 h ARG 43 CO -0.46 0.60 -0.42 1.88 2.80 0.00 0.00 179.97 184.37 1x37 h TYR 44 N 0.93 1.09 0.00 2.20 -1.99 0.24 -3.38 116.97 116.06 1x37 h TYR 44 Ca 0.49 -0.34 0.00 0.00 2.00 0.00 0.00 58.73 60.88 1x37 h TYR 44 Cb 0.54 -0.22 0.00 0.00 2.00 0.00 0.00 36.73 39.05 1x37 h TYR 44 CO -0.00 1.16 0.00 0.66 -0.00 0.00 0.00 178.16 179.98 1x37 n TYR 45 N -4.04 0.00 -0.66 4.88 4.01 -0.19 -3.91 117.16 117.25 1x37 n TYR 45 Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 1x37 n TYR 45 Cb 0.56 -0.29 0.00 0.00 -0.31 0.00 0.00 39.34 39.30 1x37 n TYR 45 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 1x37 n THR 46 N -2.17 0.00 -2.19 -0.72 -1.04 0.59 -4.85 114.28 103.89 1x37 n THR 46 Ca 0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.59 1x37 n THR 46 Cb 0.00 -0.66 -0.03 0.00 -1.82 0.00 0.00 70.33 67.82 1x37 n THR 46 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1x37 s ARG 47 N -1.32 4.29 0.31 -2.82 1.04 -1.26 -4.99 118.95 114.20 1x37 s ARG 47 Ca 0.00 2.01 -0.25 0.00 -1.04 0.00 0.00 55.73 56.45 1x37 s ARG 47 Cb 0.00 -3.50 -0.10 0.00 -2.04 0.00 0.00 34.95 29.31 1x37 s ARG 47 CO 0.00 -0.55 0.92 -1.83 -0.04 0.00 0.00 175.30 173.80 1x37 s GLU 48 N 2.13 4.56 0.00 3.89 -1.05 -1.26 -4.87 118.70 122.09 1x37 s GLU 48 Ca 0.65 1.28 0.00 0.00 -0.15 0.00 0.00 54.97 56.75 1x37 s GLU 48 Cb -0.33 -2.82 0.00 0.00 -0.44 0.00 0.00 34.13 30.53 1x37 s GLU 48 CO 0.28 0.30 0.00 0.00 0.95 0.00 0.00 175.26 176.79 1x37 n ALA 49 N 0.61 0.00 0.00 -0.84 0.00 -1.26 -5.13 120.51 113.89 1x37 n ALA 49 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1x37 n ALA 49 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 1x37 n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x37 n GLY 50 N 0.00 -1.04 0.25 0.00 0.00 -1.26 -4.40 105.19 98.74 1x37 n GLY 50 Ca 0.00 -1.42 -0.15 0.00 0.00 0.00 0.00 46.02 44.45 1x37 n GLY 50 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1x37 h VAL 51 N 0.00 1.27 -0.99 1.61 -1.51 -2.00 -3.05 116.25 111.59 1x37 h VAL 51 Ca 0.00 -1.75 0.28 0.00 -1.23 0.00 0.00 66.70 64.00 1x37 h VAL 51 Cb 0.00 1.66 -0.14 0.00 -2.13 0.00 0.00 31.29 30.68 1x37 h VAL 51 CO 0.00 0.57 0.55 0.08 -1.23 0.00 0.00 177.57 177.54 1x37 h ARG 52 N 0.66 0.41 0.00 5.19 -0.00 -1.99 0.21 114.38 118.87 1x37 h ARG 52 Ca 0.01 -0.02 -0.00 0.00 -0.00 0.00 0.00 59.98 59.96 1x37 h ARG 52 Cb 1.18 -0.09 0.00 0.00 -0.00 0.00 0.00 29.97 31.06 1x37 h ARG 52 CO 0.13 0.27 -0.00 0.77 -0.00 0.00 0.00 179.97 181.14 1x37 h SER 53 N 0.43 -0.00 -0.70 0.08 0.02 -1.74 -1.48 113.55 110.15 1x37 h SER 53 Ca 0.68 -0.37 0.13 0.00 -0.84 0.00 0.00 61.79 61.39 1x37 h SER 53 Cb 1.43 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 63.88 1x37 h SER 53 CO -0.55 0.37 0.26 -0.07 -1.14 0.00 0.00 176.83 175.70 1x37 h LEU 54 N -0.38 0.22 -1.02 5.07 3.38 -0.66 0.35 115.31 122.28 1x37 h LEU 54 Ca -0.00 0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1x37 h LEU 54 Cb 0.38 0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.18 1x37 h LEU 54 CO 0.00 0.09 0.56 -0.33 0.09 0.00 0.00 178.44 178.85 1x37 h GLU 55 N 0.41 1.23 -0.81 1.13 5.08 -0.72 -1.42 114.58 119.48 1x37 h GLU 55 Ca 0.38 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 58.60 1x37 h GLU 55 Cb 0.55 -0.26 -0.04 0.00 0.50 0.00 0.00 28.75 29.51 1x37 h GLU 55 CO -0.39 0.85 0.36 -0.09 -1.00 0.00 0.00 179.01 178.74 1x37 h ARG 56 N 1.26 1.18 0.21 2.33 9.65 0.69 0.14 114.38 129.83 1x37 h ARG 56 Ca 0.33 -0.19 -0.01 0.00 -1.10 0.00 0.00 59.98 59.01 1x37 h ARG 56 Cb -0.07 -0.20 0.00 0.00 -1.39 0.00 0.00 29.97 28.31 1x37 h ARG 56 CO -0.06 0.93 -0.10 0.37 2.80 0.00 0.00 179.97 183.91 1x37 h GLN 57 N 1.16 -0.27 -0.89 0.20 5.75 0.05 0.16 115.11 121.27 1x37 h GLN 57 Ca 0.27 0.02 -0.02 0.00 -0.15 0.00 0.00 58.65 58.77 1x37 h GLN 57 Cb 0.17 0.06 -0.04 0.00 1.07 0.00 0.00 27.48 28.74 1x37 h GLN 57 CO -0.03 -0.06 0.48 -0.07 -2.65 0.00 0.00 178.83 176.50 1x37 h LEU 58 N -0.44 1.12 -1.17 -2.39 3.38 -1.13 -0.52 115.31 114.17 1x37 h LEU 58 Ca -0.03 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1x37 h LEU 58 Cb 0.33 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 1x37 h LEU 58 CO 0.05 0.90 0.41 0.00 0.09 0.00 0.00 178.44 179.88 1x37 h ALA 59 N 1.28 1.37 0.83 1.53 0.00 -0.49 0.52 119.26 124.30 1x37 h ALA 59 Ca 0.31 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 1x37 h ALA 59 Cb 0.03 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 17.54 1x37 h ALA 59 CO -0.05 0.53 -0.40 0.00 0.00 0.00 0.00 179.25 179.33 1x37 h ALA 60 N 1.46 -1.20 -0.74 0.00 0.00 0.89 -1.78 119.26 117.88 1x37 h ALA 60 Ca 0.26 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1x37 h ALA 60 Cb 0.00 0.43 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 1x37 h ALA 60 CO -0.04 -1.12 0.48 0.97 0.00 0.00 0.00 179.25 179.54 1x37 h ILE 61 N -1.21 1.16 0.02 0.00 2.10 -1.22 0.18 117.51 118.55 1x37 h ILE 61 Ca -0.11 -0.33 -0.00 0.00 1.08 0.00 0.00 64.86 65.49 1x37 h ILE 61 Cb 0.86 0.10 -0.00 0.00 -1.09 0.00 0.00 36.82 36.69 1x37 h ILE 61 CO 0.19 0.18 -0.03 0.00 -1.08 0.00 0.00 178.15 177.41 1x37 h ARG 63 N -0.05 0.69 -1.07 0.00 0.11 -1.31 -0.15 114.38 112.60 1x37 h ARG 63 Ca -0.00 -0.04 0.38 0.00 0.10 0.00 0.00 59.98 60.42 1x37 h ARG 63 Cb 0.04 -0.16 -0.16 0.00 1.11 0.00 0.00 29.97 30.81 1x37 h ARG 63 CO -0.01 0.46 0.62 -0.22 0.10 0.00 0.00 179.97 180.92 1x37 h LYS 64 N 0.71 0.14 -0.08 0.08 3.64 -0.45 2.65 116.57 123.26 1x37 h LYS 64 Ca 0.23 -0.01 -0.23 0.00 -1.27 0.00 0.00 60.65 59.37 1x37 h LYS 64 Cb -0.00 -0.03 0.01 0.00 -0.41 0.00 0.00 32.23 31.79 1x37 h LYS 64 CO -0.09 0.09 -0.86 0.00 -2.27 0.00 0.00 179.45 176.32 1x37 h ALA 65 N 1.85 0.32 -0.95 5.00 0.00 0.11 -2.12 119.26 123.48 1x37 h ALA 65 Ca 0.80 -0.64 0.03 0.00 0.00 0.00 0.00 54.91 55.09 1x37 h ALA 65 Cb 2.10 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.83 1x37 h ALA 65 CO -0.63 0.72 0.62 0.00 0.00 0.00 0.00 179.25 179.96 1x37 h ALA 66 N 0.60 1.23 -0.18 0.00 0.00 0.54 -2.35 119.26 119.10 1x37 h ALA 66 Ca -0.07 -0.05 -0.21 0.00 0.00 0.00 0.00 54.91 54.58 1x37 h ALA 66 Cb 1.49 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1x37 h ALA 66 CO 0.17 0.53 -0.70 -0.22 0.00 0.00 0.00 179.25 179.03 1x37 h LYS 67 N 1.23 0.75 0.00 0.00 3.64 -0.62 -2.91 116.57 118.66 1x37 h LYS 67 Ca 0.37 -0.57 0.00 0.00 -1.27 0.00 0.00 60.65 59.18 1x37 h LYS 67 Cb -0.05 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 1x37 h LYS 67 CO -0.10 1.19 0.27 0.00 -2.27 0.00 0.00 179.45 178.54 1x37 n ALA 68 N -2.58 0.45 0.18 5.00 0.00 -0.80 -2.03 120.51 120.74 1x37 n ALA 68 Ca -0.06 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.42 1x37 n ALA 68 Cb 0.70 -0.45 0.20 0.00 0.00 0.00 0.00 19.45 19.91 1x37 n ALA 68 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1x37 h ILE 69 N 0.00 0.00 0.00 0.00 1.08 -1.54 -1.25 117.51 115.80 1x37 h ILE 69 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1x37 h ILE 69 Cb 0.55 0.17 0.00 0.00 -3.07 0.00 0.00 36.82 34.46 1x37 h ILE 69 CO 0.00 0.00 0.47 0.52 -0.69 0.00 0.00 178.15 178.45 1x37 n VAL 70 N -1.99 0.40 -0.50 1.67 0.31 -0.86 -4.34 118.33 113.02 1x37 n VAL 70 Ca -0.00 0.71 0.00 0.00 -0.01 0.00 0.00 64.34 65.04 1x37 n VAL 70 Cb 0.55 -1.71 0.00 0.00 -0.91 0.00 0.00 33.84 31.77 1x37 n VAL 70 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1x37 n ALA 71 N -1.40 0.00 -1.22 3.52 0.00 -0.48 -5.03 120.51 115.90 1x37 n ALA 71 Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 1x37 n ALA 71 Cb 0.48 0.00 0.11 0.00 0.00 0.00 0.00 19.45 20.03 1x37 n ALA 71 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1x37 s GLU 72 N 0.85 1.97 -0.91 0.00 -1.05 -1.26 -4.85 118.70 113.45 1x37 s GLU 72 Ca 0.00 1.11 -0.25 0.00 -0.15 0.00 0.00 54.97 55.68 1x37 s GLU 72 Cb 0.00 -1.87 -0.06 0.00 -0.44 0.00 0.00 34.13 31.76 1x37 s GLU 72 CO 0.00 -1.82 2.00 -2.00 0.95 0.00 0.00 175.26 174.38 1x37 s GLU 73 N -4.90 2.43 -0.06 -4.83 2.12 -1.26 -4.73 118.70 107.47 1x37 s GLU 73 Ca 0.62 -0.26 0.05 0.00 0.36 0.00 0.00 54.97 55.74 1x37 s GLU 73 Cb -0.18 -5.04 0.26 0.00 0.26 0.00 0.00 34.13 29.43 1x37 s GLU 73 CO 0.56 -3.55 0.95 -2.13 -0.54 0.00 0.00 175.26 170.55 1x37 n ARG 74 N 8.81 2.13 0.00 4.30 0.63 -1.26 -5.01 116.66 126.26 1x37 n ARG 74 Ca 0.41 -0.99 0.00 0.00 -0.92 0.00 0.00 57.85 56.35 1x37 n ARG 74 Cb 0.46 -1.65 0.00 0.00 0.45 0.00 0.00 32.46 31.73 1x37 n ARG 74 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1x37 n LYS 75 N 0.20 0.00 -1.68 -0.14 5.02 -1.26 -4.44 118.16 115.86 1x37 n LYS 75 Ca 0.09 0.00 -0.61 0.00 -2.02 0.00 0.00 58.31 55.77 1x37 n LYS 75 Cb 0.49 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.42 1x37 n LYS 75 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 1x37 n ARG 76 N -0.20 0.54 -2.67 1.97 1.85 -1.26 -4.84 116.66 112.06 1x37 n ARG 76 Ca 0.00 0.20 -0.43 0.00 -1.00 0.00 0.00 57.85 56.62 1x37 n ARG 76 Cb 0.00 -1.78 -0.02 0.00 -1.05 0.00 0.00 32.46 29.61 1x37 n ARG 76 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 1x37 s ILE 77 N 2.40 4.65 -0.12 8.89 1.01 -1.26 -4.84 121.20 131.92 1x37 s ILE 77 Ca 0.98 1.93 -0.18 0.00 0.00 0.00 0.00 60.65 63.38 1x37 s ILE 77 Cb -1.25 -4.33 -0.04 0.00 0.01 0.00 0.00 42.46 36.85 1x37 s ILE 77 CO 0.68 -0.25 0.48 -0.89 0.00 0.00 0.00 174.94 174.96 1x37 s THR 78 N 3.29 5.19 -0.13 2.92 2.01 -1.26 -0.33 115.64 127.33 1x37 s THR 78 Ca 0.44 0.94 -0.02 0.00 0.31 0.00 0.00 61.69 63.36 1x37 s THR 78 Cb -0.14 -3.81 -0.03 0.00 0.01 0.00 0.00 72.50 68.53 1x37 s THR 78 CO 0.08 0.32 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.58 1x37 s VAL 79 N 0.68 3.73 0.00 3.82 1.01 -0.54 -4.96 120.40 124.14 1x37 s VAL 79 Ca 0.26 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 61.81 1x37 s VAL 79 Cb -0.15 -2.60 0.00 0.00 0.00 0.00 0.00 36.38 33.63 1x37 s VAL 79 CO 0.10 0.52 0.00 0.35 0.00 0.00 0.00 175.10 176.07 1x37 n THR 80 N 3.24 0.00 0.10 3.92 -2.24 -1.26 -3.65 114.28 114.39 1x37 n THR 80 Ca -0.18 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.46 1x37 n THR 80 Cb 0.53 0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 68.62 1x37 n THR 80 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1x37 h GLU 81 N 0.00 0.24 0.04 -0.78 4.11 -1.87 -3.12 114.58 113.20 1x37 h GLU 81 Ca 0.00 -0.41 -0.00 0.00 0.07 0.00 0.00 59.36 59.02 1x37 h GLU 81 Cb 0.00 0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1x37 h GLU 81 CO 0.00 1.20 -0.02 0.87 0.07 0.00 0.00 179.01 181.13 1x37 h LYS 82 N 0.07 -0.05 -1.02 1.06 1.57 -1.99 -3.28 116.57 112.93 1x37 h LYS 82 Ca -0.12 0.00 0.27 0.00 -1.87 0.00 0.00 60.65 58.94 1x37 h LYS 82 Cb 1.95 0.01 -0.13 0.00 0.08 0.00 0.00 32.23 34.14 1x37 h LYS 82 CO 0.20 0.59 0.61 -0.91 -0.57 0.00 0.00 179.45 179.36 1x37 h ASN 83 N -0.93 0.59 -0.95 0.86 -0.26 -1.94 -0.42 115.58 112.53 1x37 h ASN 83 Ca -0.01 0.14 0.18 0.00 -0.56 0.00 0.00 56.30 56.05 1x37 h ASN 83 Cb 0.65 0.06 -0.17 0.00 -1.06 0.00 0.00 38.32 37.80 1x37 h ASN 83 CO 0.01 0.04 -0.29 0.25 -1.06 0.00 0.00 177.43 176.37 1x37 h LEU 84 N 0.47 -1.08 -0.99 1.61 7.12 -1.59 1.12 115.31 121.97 1x37 h LEU 84 Ca 0.66 0.29 -0.01 0.00 0.13 0.00 0.00 57.88 58.96 1x37 h LEU 84 Cb 1.43 0.65 -0.04 0.00 -0.53 0.00 0.00 40.66 42.16 1x37 h LEU 84 CO -0.47 -0.31 0.55 1.56 -0.13 0.00 0.00 178.44 179.64 1x37 h GLN 85 N -0.01 1.25 -1.00 1.25 4.20 -1.23 0.68 115.11 120.25 1x37 h GLN 85 Ca 0.41 -0.11 0.04 0.00 0.06 0.00 0.00 58.65 59.06 1x37 h GLN 85 Cb 0.66 -0.26 -0.06 0.00 0.30 0.00 0.00 27.48 28.12 1x37 h GLN 85 CO -0.98 0.87 0.65 0.22 -0.67 0.00 0.00 178.83 178.93 1x37 h ASP 86 N 1.27 1.08 0.00 1.46 3.58 0.12 0.90 116.42 124.83 1x37 h ASP 86 Ca 0.33 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.77 1x37 h ASP 86 Cb -0.06 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 40.75 1x37 h ASP 86 CO -0.06 0.72 -0.02 -0.26 -2.88 0.00 0.00 179.24 176.74 1x37 h PHE 87 N 1.24 0.00 0.22 0.28 0.04 -0.55 -3.42 116.94 114.76 1x37 h PHE 87 Ca 0.41 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.17 1x37 h PHE 87 Cb 0.05 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.20 1x37 h PHE 87 CO -0.00 0.00 -0.11 0.82 -0.60 0.00 0.00 178.31 178.42 1x37 h ILE 88 N -0.43 0.03 0.00 -0.55 2.04 -0.93 -3.45 117.51 114.21 1x37 h ILE 88 Ca 0.00 -0.80 0.00 0.00 1.00 0.00 0.00 64.86 65.06 1x37 h ILE 88 Cb 0.02 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.14 1x37 h ILE 88 CO 0.00 0.01 0.00 0.61 0.00 0.00 0.00 178.15 178.77 1x37 n GLY 89 N 1.02 0.42 3.45 5.37 0.00 0.31 -4.79 105.19 110.97 1x37 n GLY 89 Ca -0.04 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.55 1x37 n GLY 89 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1x37 s LYS 90 N 0.00 3.10 0.00 1.61 2.20 -1.26 -4.97 119.74 120.42 1x37 s LYS 90 Ca 0.00 -0.91 0.00 0.00 -0.36 0.00 0.00 55.97 54.70 1x37 s LYS 90 Cb 0.00 -4.07 0.00 0.00 -1.51 0.00 0.00 37.83 32.25 1x37 s LYS 90 CO 0.00 -1.11 0.00 2.89 -0.36 0.00 0.00 175.35 176.77 1x37 n ARG 91 N 5.91 3.21 0.00 4.03 0.00 -1.26 -5.09 116.66 123.46 1x37 n ARG 91 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.78 1x37 n ARG 91 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 32.92 1x37 n ARG 91 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 1x37 n ILE 92 N 0.00 0.00 -1.41 8.89 5.41 -1.26 -4.91 119.36 126.07 1x37 n ILE 92 Ca 0.00 0.00 -0.39 0.00 1.00 0.00 0.00 62.75 63.36 1x37 n ILE 92 Cb 0.00 -0.32 -0.02 0.00 -0.71 0.00 0.00 39.64 38.59 1x37 n ILE 92 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 1x37 n PHE 93 N -2.21 2.72 -2.03 1.39 3.01 -1.25 -4.87 117.46 114.21 1x37 n PHE 93 Ca 0.00 -2.85 -0.27 0.00 1.01 0.00 0.00 57.45 55.34 1x37 n PHE 93 Cb 0.00 -2.39 -0.05 0.00 -0.01 0.00 0.00 39.48 37.04 1x37 n PHE 93 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 1x37 s ARG 94 N 2.91 2.53 0.00 -1.08 3.52 -1.26 -5.03 118.95 120.53 1x37 s ARG 94 Ca 0.57 -0.17 0.00 0.00 -0.13 0.00 0.00 55.73 56.00 1x37 s ARG 94 Cb 0.15 -4.99 0.00 0.00 -1.56 0.00 0.00 34.95 28.56 1x37 s ARG 94 CO -0.06 -3.36 0.00 0.66 -0.81 0.00 0.00 175.30 171.74