#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 -0.95 1.19 0.00 0.00 -1.26 -5.17 105.19 99.00 1x37 n GLY 2 Ca 0.00 0.81 -0.09 0.00 0.00 0.00 0.00 46.02 46.74 1x37 n GLY 2 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1x37 n TYR 3 N 0.00 -3.90 -3.92 1.61 4.11 -1.26 -5.11 117.16 108.69 1x37 n TYR 3 Ca 0.00 -0.39 -0.09 0.00 -0.00 0.00 0.00 57.90 57.42 1x37 n TYR 3 Cb 0.00 -0.31 -0.02 0.00 -0.00 0.00 0.00 39.34 39.01 1x37 n TYR 3 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.86 177.81 1x37 s THR 4 N -1.76 0.00 0.18 -3.48 -4.23 -1.26 -4.98 115.64 100.11 1x37 s THR 4 Ca 0.23 -1.19 -0.21 0.00 -1.18 0.00 0.00 61.69 59.34 1x37 s THR 4 Cb -0.01 -2.38 0.10 0.00 1.34 0.00 0.00 72.50 71.56 1x37 s THR 4 CO 0.16 0.00 1.61 -0.33 -0.54 0.00 0.00 174.62 175.52 1x37 h GLU 5 N 2.09 -0.18 0.61 3.99 5.08 -1.99 0.47 114.58 124.65 1x37 h GLU 5 Ca -0.26 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.09 1x37 h GLU 5 Cb 1.25 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.53 1x37 h GLU 5 CO 0.33 -0.12 -0.46 0.82 -1.00 0.00 0.00 179.01 178.58 1x37 h ILE 6 N -0.18 0.00 -0.43 3.13 1.08 -2.00 -1.57 117.51 117.54 1x37 h ILE 6 Ca 0.21 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.76 1x37 h ILE 6 Cb 0.51 0.00 -0.09 0.00 -3.07 0.00 0.00 36.82 34.17 1x37 h ILE 6 CO -0.57 0.00 -0.34 -0.33 -0.69 0.00 0.00 178.15 176.22 1x37 h GLU 7 N -1.03 -0.24 -0.89 2.37 4.39 -1.78 0.19 114.58 117.58 1x37 h GLU 7 Ca -0.08 0.02 0.24 0.00 0.34 0.00 0.00 59.36 59.88 1x37 h GLU 7 Cb 0.85 0.05 -0.14 0.00 -0.10 0.00 0.00 28.75 29.42 1x37 h GLU 7 CO 0.03 -0.16 0.28 -0.22 -1.16 0.00 0.00 179.01 177.78 1x37 h LYS 8 N -0.25 0.23 -0.38 2.33 3.11 0.18 0.38 116.57 122.17 1x37 h LYS 8 Ca 0.18 -0.01 -0.11 0.00 -2.81 0.00 0.00 60.65 57.89 1x37 h LYS 8 Cb 0.55 -0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 31.72 1x37 h LYS 8 CO -0.57 0.15 -0.19 -0.07 -2.81 0.00 0.00 179.45 175.97 1x37 h LEU 9 N 0.24 0.83 0.16 5.20 3.38 0.32 0.22 115.31 125.66 1x37 h LEU 9 Ca 0.57 -0.41 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1x37 h LEU 9 Cb 1.16 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1x37 h LEU 9 CO -0.64 1.05 -0.08 -0.33 0.09 0.00 0.00 178.44 178.53 1x37 h GLU 10 N 0.60 -0.21 0.23 1.13 3.07 0.12 -1.20 114.58 118.32 1x37 h GLU 10 Ca 0.08 0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.95 1x37 h GLU 10 Cb 0.74 0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.70 1x37 h GLU 10 CO 0.06 -0.09 -0.11 -0.84 -1.40 0.00 0.00 179.01 176.62 1x37 h ILE 11 N -0.28 0.00 -1.18 3.13 3.07 -0.79 0.47 117.51 121.94 1x37 h ILE 11 Ca -0.02 -0.20 0.44 0.00 1.55 0.00 0.00 64.86 66.63 1x37 h ILE 11 Cb 0.22 0.00 -0.16 0.00 -0.27 0.00 0.00 36.82 36.61 1x37 h ILE 11 CO 0.04 0.00 0.71 0.52 -1.05 0.00 0.00 178.15 178.37 1x37 n VAL 12 N -3.38 -0.32 0.13 0.16 0.31 0.06 0.27 118.33 115.55 1x37 n VAL 12 Ca -0.04 1.87 -0.24 0.00 -0.01 0.00 0.00 64.34 65.92 1x37 n VAL 12 Cb 0.12 -3.06 -0.16 0.00 -0.91 0.00 0.00 33.84 29.84 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 0.50 0.00 5.55 3.64 -1.18 -3.28 116.57 121.80 1x37 h LYS 13 Ca 0.85 -0.85 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1x37 h LYS 13 Cb 2.51 0.32 -0.00 0.00 -0.41 0.00 0.00 32.23 34.65 1x37 h LYS 13 CO -0.60 1.41 -0.16 -0.44 -2.27 0.00 0.00 179.45 177.40 1x37 h ASP 14 N 0.12 0.00 -0.95 4.20 3.32 0.21 -3.37 116.42 119.95 1x37 h ASP 14 Ca -0.28 -0.59 0.13 0.00 0.02 0.00 0.00 57.03 56.31 1x37 h ASP 14 Cb 2.14 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 41.61 1x37 h ASP 14 CO 0.25 0.88 0.61 1.12 -1.72 0.00 0.00 179.24 180.38 1x37 h HIS 15 N -1.00 1.02 -1.24 4.55 2.07 -0.49 -2.81 115.15 117.25 1x37 h HIS 15 Ca -0.04 0.03 0.45 0.00 -2.85 0.00 0.00 60.37 57.96 1x37 h HIS 15 Cb 0.70 -0.32 -0.15 0.00 2.57 0.00 0.00 27.41 30.20 1x37 h HIS 15 CO 0.15 0.40 0.76 1.47 -3.07 0.00 0.00 177.93 177.64 1x37 n LEU 16 N -4.59 0.25 0.10 6.12 -0.00 -1.24 -0.67 117.00 116.97 1x37 n LEU 16 Ca 0.18 1.44 -0.04 0.00 -0.00 0.00 0.00 56.01 57.59 1x37 n LEU 16 Cb 0.39 -0.71 -0.02 0.00 -0.00 0.00 0.00 43.42 43.08 1x37 n LEU 16 CO 0.28 -1.58 0.26 -0.07 -0.00 0.00 0.00 177.39 176.28 1x37 h LEU 17 N 0.00 -0.23 -0.37 1.47 4.07 -1.74 -3.34 115.31 115.17 1x37 h LEU 17 Ca 0.85 0.01 -0.04 0.00 0.08 0.00 0.00 57.88 58.78 1x37 h LEU 17 Cb 2.60 0.06 -0.01 0.00 1.08 0.00 0.00 40.66 44.39 1x37 h LEU 17 CO -0.55 -0.07 0.07 1.55 -1.08 0.00 0.00 178.44 178.36 1x37 h PRO 18 N -0.47 0.60 0.00 1.13 0.13 -1.58 -2.59 132.00 129.21 1x37 h PRO 18 Ca -0.03 -0.15 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 1x37 h PRO 18 Cb 0.21 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.27 1x37 h PRO 18 CO 0.05 0.65 0.00 1.17 -0.23 0.00 0.00 178.00 179.64 1x37 n LYS 19 N -4.57 0.00 -0.07 0.86 0.00 0.16 -0.38 118.16 114.16 1x37 n LYS 19 Ca -0.01 0.51 -0.08 0.00 0.00 0.00 0.00 58.31 58.72 1x37 n LYS 19 Cb 0.22 -1.14 -0.01 0.00 0.00 0.00 0.00 35.03 34.09 1x37 n LYS 19 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.40 176.84 1x37 h GLN 20 N 0.00 0.23 -1.05 1.64 -0.00 -1.71 -2.11 115.11 112.11 1x37 h GLN 20 Ca 0.00 -0.01 0.28 0.00 -0.00 0.00 0.00 58.65 58.92 1x37 h GLN 20 Cb 0.00 -0.05 -0.11 0.00 -0.00 0.00 0.00 27.48 27.31 1x37 h GLN 20 CO 0.00 0.15 0.65 0.82 -0.00 0.00 0.00 178.83 180.45 1x37 h ILE 21 N 0.24 0.46 0.00 1.86 1.08 -1.28 0.31 117.51 120.18 1x37 h ILE 21 Ca 0.11 -0.14 0.00 0.00 -0.39 0.00 0.00 64.86 64.44 1x37 h ILE 21 Cb 0.06 0.01 0.00 0.00 -3.07 0.00 0.00 36.82 33.82 1x37 h ILE 21 CO -0.10 0.08 0.00 0.29 -0.69 0.00 0.00 178.15 177.73 1x37 n LYS 22 N -4.77 0.00 -0.36 2.37 5.02 0.49 0.55 118.16 121.45 1x37 n LYS 22 Ca 0.28 0.00 0.32 0.00 -2.02 0.00 0.00 58.31 56.89 1x37 n LYS 22 Cb 0.90 -0.77 0.59 0.00 -0.02 0.00 0.00 35.03 35.73 1x37 n LYS 22 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1x37 h GLU 23 N 0.00 0.08 0.22 1.97 4.81 -1.50 1.50 114.58 121.66 1x37 h GLU 23 Ca 0.00 -0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 58.90 1x37 h GLU 23 Cb 0.00 -0.02 0.03 0.00 0.63 0.00 0.00 28.75 29.39 1x37 h GLU 23 CO 0.00 0.05 -1.44 0.45 -0.73 0.00 0.00 179.01 177.34 1x37 h HIS 24 N 0.08 0.86 -1.20 0.92 3.86 -0.41 -3.29 115.15 115.97 1x37 h HIS 24 Ca 0.83 -0.63 0.45 0.00 -1.16 0.00 0.00 60.37 59.86 1x37 h HIS 24 Cb 2.26 -0.03 -0.16 0.00 1.06 0.00 0.00 27.41 30.54 1x37 h HIS 24 CO -0.01 1.50 0.72 0.41 0.86 0.00 0.00 177.93 181.41 1x37 n GLY 25 N 1.68 -0.80 0.30 2.45 0.00 2.17 -0.09 105.19 110.90 1x37 n GLY 25 Ca -0.15 0.79 0.29 0.00 0.00 0.00 0.00 46.02 46.94 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 -4.99 0.30 -4.98 0.99 0.00 -1.04 -4.23 117.00 103.06 1x37 n LEU 26 Ca 0.39 1.46 -0.19 0.00 0.00 0.00 0.00 56.01 57.67 1x37 n LEU 26 Cb 1.44 -0.71 -0.00 0.00 0.00 0.00 0.00 43.42 44.14 1x37 n LEU 26 CO 0.10 -1.63 0.06 -0.54 0.00 0.00 0.00 177.39 175.38 1x37 s LYS 27 N -5.33 3.03 0.87 1.96 1.02 0.87 -5.06 119.74 117.11 1x37 s LYS 27 Ca -0.08 -1.08 -0.15 0.00 0.02 0.00 0.00 55.97 54.68 1x37 s LYS 27 Cb 0.30 -2.78 -0.04 0.00 -0.52 0.00 0.00 37.83 34.79 1x37 s LYS 27 CO 0.70 0.00 0.11 0.36 -0.92 0.00 0.00 175.35 175.60 1x37 n LYS 28 N -1.65 -0.04 -1.51 1.68 0.00 -1.26 -4.45 118.16 110.92 1x37 n LYS 28 Ca 0.01 0.02 -0.29 0.00 -0.00 0.00 0.00 58.31 58.06 1x37 n LYS 28 Cb 0.58 -1.59 -0.16 0.00 -0.00 0.00 0.00 35.03 33.87 1x37 n LYS 28 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1x37 n SER 29 N 0.38 -0.07 -2.67 -5.58 7.64 -1.26 -4.73 113.62 107.33 1x37 n SER 29 Ca 0.06 -0.42 -0.32 0.00 1.01 0.00 0.00 58.87 59.20 1x37 n SER 29 Cb 0.53 -0.91 0.02 0.00 -1.01 0.00 0.00 64.21 62.83 1x37 n SER 29 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1x37 n ASN 30 N 9.96 5.89 -3.64 6.43 4.05 -1.26 -3.83 115.26 132.87 1x37 n ASN 30 Ca 0.62 -3.77 -0.05 0.00 0.45 0.00 0.00 54.58 51.82 1x37 n ASN 30 Cb 0.18 -0.72 -0.06 0.00 1.23 0.00 0.00 39.78 40.41 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 -3.77 -0.96 -0.40 1.20 2.96 -1.26 -4.45 118.68 112.01 1x37 s LEU 31 Ca 0.50 1.47 0.10 0.00 -0.22 0.00 0.00 54.13 55.98 1x37 s LEU 31 Cb 0.42 2.32 0.31 0.00 0.50 0.00 0.00 46.19 49.73 1x37 s LEU 31 CO -0.29 -0.23 0.66 0.00 -1.32 0.00 0.00 176.35 175.18 1x37 n GLN 32 N 4.53 1.03 -3.77 1.98 6.02 0.42 -4.74 117.38 122.85 1x37 n GLN 32 Ca -0.18 -3.43 -0.31 0.00 -0.01 0.00 0.00 57.00 53.07 1x37 n GLN 32 Cb 0.57 -1.56 -0.04 0.00 1.02 0.00 0.00 30.24 30.22 1x37 n GLN 32 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1x37 s LEU 33 N -2.00 4.30 0.27 1.08 0.20 -1.26 -1.64 118.68 119.62 1x37 s LEU 33 Ca 0.39 0.46 0.10 0.00 0.69 0.00 0.00 54.13 55.76 1x37 s LEU 33 Cb 0.27 -3.17 -0.05 0.00 -0.43 0.00 0.00 46.19 42.81 1x37 s LEU 33 CO -0.09 0.09 -0.06 -0.13 -0.29 0.00 0.00 176.35 175.86 1x37 s ARG 34 N -2.66 2.12 0.29 1.98 0.52 -1.25 -4.96 118.95 114.98 1x37 s ARG 34 Ca 0.39 -1.52 0.02 0.00 -0.52 0.00 0.00 55.73 54.09 1x37 s ARG 34 Cb -0.12 -2.05 0.58 0.00 0.52 0.00 0.00 34.95 33.88 1x37 s ARG 34 CO 0.26 0.35 1.83 -0.44 0.02 0.00 0.00 175.30 177.32 1x37 h ASP 35 N 2.00 0.91 -0.83 0.23 3.32 -1.97 -0.42 116.42 119.65 1x37 h ASP 35 Ca -0.43 0.06 0.11 0.00 0.02 0.00 0.00 57.03 56.79 1x37 h ASP 35 Cb 1.25 -0.12 -0.08 0.00 0.22 0.00 0.00 39.33 40.60 1x37 h ASP 35 CO 0.60 0.46 0.46 -0.61 -1.72 0.00 0.00 179.24 178.43 1x37 h GLN 36 N 0.96 0.71 0.00 3.56 4.15 -1.96 -0.26 115.11 122.27 1x37 h GLN 36 Ca 0.51 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.89 1x37 h GLN 36 Cb 0.56 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 28.09 1x37 h GLN 36 CO -0.29 0.47 0.00 0.00 -1.93 0.00 0.00 178.83 177.08 1x37 n ALA 37 N -2.39 -0.26 -0.31 3.38 0.00 -0.17 -1.78 120.51 118.98 1x37 n ALA 37 Ca 0.15 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.72 1x37 n ALA 37 Cb 0.33 0.10 0.31 0.00 0.00 0.00 0.00 19.45 20.20 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 0.46 -0.66 0.00 2.04 -1.54 0.14 117.51 117.96 1x37 h ILE 38 Ca 0.00 -0.13 0.14 0.00 1.00 0.00 0.00 64.86 65.87 1x37 h ILE 38 Cb 0.00 0.04 -0.12 0.00 -0.74 0.00 0.00 36.82 36.00 1x37 h ILE 38 CO 0.00 0.07 -0.05 -0.07 0.00 0.00 0.00 178.15 178.11 1x37 h LEU 39 N 0.39 -0.39 -0.44 1.44 3.38 -0.73 0.48 115.31 119.44 1x37 h LEU 39 Ca 0.57 0.18 -0.15 0.00 0.09 0.00 0.00 57.88 58.56 1x37 h LEU 39 Cb 1.08 0.33 -0.01 0.00 0.09 0.00 0.00 40.66 42.16 1x37 h LEU 39 CO -0.54 -0.16 -0.36 -2.24 0.09 0.00 0.00 178.44 175.23 1x37 h ASP 40 N 0.08 0.97 0.00 -0.43 3.04 0.08 -2.50 116.42 117.64 1x37 h ASP 40 Ca 0.34 -0.43 0.00 0.00 -3.24 0.00 0.00 57.03 53.70 1x37 h ASP 40 Cb 0.56 -0.27 0.00 0.00 -1.04 0.00 0.00 39.33 38.58 1x37 h ASP 40 CO -0.61 1.22 0.00 -0.38 -2.04 0.00 0.00 179.24 177.43 1x37 n ILE 41 N -4.06 0.00 -0.34 4.15 2.08 0.13 -1.21 119.36 120.10 1x37 n ILE 41 Ca -0.02 1.23 0.18 0.00 0.56 0.00 0.00 62.75 64.70 1x37 n ILE 41 Cb 0.53 -1.90 0.39 0.00 -0.75 0.00 0.00 39.64 37.91 1x37 n ILE 41 CO 0.00 0.00 0.00 -0.29 0.56 0.00 0.00 176.55 176.82 1x37 h ILE 42 N 0.00 0.54 -0.95 1.39 2.10 -1.59 0.22 117.51 119.22 1x37 h ILE 42 Ca 0.00 -0.20 0.22 0.00 1.08 0.00 0.00 64.86 65.96 1x37 h ILE 42 Cb 0.00 -0.08 -0.12 0.00 -1.09 0.00 0.00 36.82 35.53 1x37 h ILE 42 CO 0.00 0.10 0.52 -0.09 -1.08 0.00 0.00 178.15 177.60 1x37 h ARG 43 N 0.57 0.54 0.13 2.19 2.43 -0.68 2.59 114.38 122.15 1x37 h ARG 43 Ca 0.64 -0.03 -0.18 0.00 -0.81 0.00 0.00 59.98 59.59 1x37 h ARG 43 Cb 1.24 -0.12 0.02 0.00 -0.42 0.00 0.00 29.97 30.69 1x37 h ARG 43 CO -0.46 0.35 -0.82 1.88 -1.51 0.00 0.00 179.97 179.42 1x37 h TYR 44 N 0.55 0.52 0.34 2.20 0.05 0.73 -3.38 116.97 117.98 1x37 h TYR 44 Ca 0.59 -0.38 -0.02 0.00 0.05 0.00 0.00 58.73 58.98 1x37 h TYR 44 Cb 1.07 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.79 1x37 h TYR 44 CO -0.06 1.31 -0.17 1.88 -1.05 0.00 0.00 178.16 180.08 1x37 h TYR 45 N -0.40 -0.43 0.00 4.88 0.05 -0.50 -3.35 116.97 117.22 1x37 h TYR 45 Ca -0.15 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.62 1x37 h TYR 45 Cb 1.62 0.14 0.00 0.00 1.01 0.00 0.00 36.73 39.51 1x37 h TYR 45 CO 0.20 -0.27 0.00 2.41 -1.05 0.00 0.00 178.16 179.45 1x37 n THR 46 N -5.06 0.00 -2.46 -2.88 -1.04 0.86 -4.88 114.28 98.81 1x37 n THR 46 Ca -0.06 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.53 1x37 n THR 46 Cb 0.18 -0.52 -0.03 0.00 -1.82 0.00 0.00 70.33 68.15 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 -1.03 4.40 0.00 -2.82 1.04 -1.26 -4.97 118.95 114.31 1x37 s ARG 47 Ca 0.00 1.69 0.00 0.00 -1.04 0.00 0.00 55.73 56.38 1x37 s ARG 47 Cb 0.00 -3.46 0.00 0.00 -2.04 0.00 0.00 34.95 29.45 1x37 s ARG 47 CO 0.00 -0.33 0.00 -1.91 -0.04 0.00 0.00 175.30 173.02 1x37 n GLU 48 N 4.54 0.00 -3.74 3.89 2.13 -1.26 -4.80 120.64 121.40 1x37 n GLU 48 Ca 0.10 0.00 -0.25 0.00 0.66 0.00 0.00 57.16 57.67 1x37 n GLU 48 Cb 0.47 -0.02 0.04 0.00 0.27 0.00 0.00 31.44 32.20 1x37 n GLU 48 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1x37 n ALA 49 N -2.70 -1.64 -0.15 4.31 0.00 -1.26 -4.51 120.51 114.55 1x37 n ALA 49 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1x37 n ALA 49 Cb 0.00 -3.45 0.00 0.00 0.00 0.00 0.00 19.45 16.00 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 -1.64 -2.98 0.37 0.00 0.00 -1.26 -4.47 105.19 95.21 1x37 n GLY 50 Ca -0.13 -0.94 0.08 0.00 0.00 0.00 0.00 46.02 45.03 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 0.94 -0.95 1.61 -1.51 -1.97 -2.05 116.25 112.31 1x37 h VAL 51 Ca 0.00 -0.31 0.30 0.00 -1.23 0.00 0.00 66.70 65.46 1x37 h VAL 51 Cb 0.00 -0.05 -0.18 0.00 -2.13 0.00 0.00 31.29 28.94 1x37 h VAL 51 CO 0.00 0.16 0.16 -1.14 -1.23 0.00 0.00 177.57 175.52 1x37 n ARG 52 N -4.56 -0.07 0.22 5.19 3.00 -1.26 -0.11 116.66 119.06 1x37 n ARG 52 Ca 0.17 1.40 -0.14 0.00 -0.00 0.00 0.00 57.85 59.27 1x37 n ARG 52 Cb 0.34 -2.29 -0.08 0.00 0.00 0.00 0.00 32.46 30.44 1x37 n ARG 52 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.63 178.40 1x37 h SER 53 N 0.00 -0.48 -0.47 6.15 0.02 -1.59 -1.25 113.55 115.94 1x37 h SER 53 Ca 0.64 -0.11 0.09 0.00 -0.84 0.00 0.00 61.79 61.58 1x37 h SER 53 Cb 1.45 0.12 -0.10 0.00 0.14 0.00 0.00 62.40 64.02 1x37 h SER 53 CO -0.85 -0.13 -0.21 0.25 -1.14 0.00 0.00 176.83 174.75 1x37 h LEU 54 N -0.87 -0.73 -1.07 5.07 6.46 -0.58 0.46 115.31 124.05 1x37 h LEU 54 Ca -0.06 0.17 0.14 0.00 -0.12 0.00 0.00 57.88 58.01 1x37 h LEU 54 Cb 0.56 0.40 -0.09 0.00 -0.73 0.00 0.00 40.66 40.80 1x37 h LEU 54 CO 0.09 -0.24 0.62 -0.33 -0.62 0.00 0.00 178.44 177.96 1x37 h GLU 55 N -0.11 0.86 -0.71 1.25 5.08 -0.59 0.82 114.58 121.18 1x37 h GLU 55 Ca 0.22 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.48 1x37 h GLU 55 Cb 0.46 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 1x37 h GLU 55 CO -0.54 0.57 0.24 -0.09 -1.00 0.00 0.00 179.01 178.19 1x37 h ARG 56 N 0.88 1.08 -0.16 2.33 9.65 0.11 0.31 114.38 128.59 1x37 h ARG 56 Ca 0.50 -0.21 -0.00 0.00 -1.10 0.00 0.00 59.98 59.17 1x37 h ARG 56 Cb 0.63 -0.17 -0.01 0.00 -1.39 0.00 0.00 29.97 29.03 1x37 h ARG 56 CO -0.27 0.91 0.08 0.37 2.80 0.00 0.00 179.97 183.86 1x37 h GLN 57 N 1.05 0.23 -0.21 0.20 4.15 0.75 0.21 115.11 121.49 1x37 h GLN 57 Ca 0.23 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.61 1x37 h GLN 57 Cb 0.27 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.90 1x37 h GLN 57 CO -0.01 0.25 0.06 -0.07 -1.93 0.00 0.00 178.83 177.12 1x37 h LEU 58 N 0.15 0.31 -1.21 -2.39 3.38 -1.10 -0.35 115.31 114.10 1x37 h LEU 58 Ca 0.06 -0.22 0.07 0.00 0.09 0.00 0.00 57.88 57.88 1x37 h LEU 58 Cb 0.09 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.70 1x37 h LEU 58 CO -0.01 0.45 0.56 0.00 0.09 0.00 0.00 178.44 179.54 1x37 h ALA 59 N 0.87 1.59 0.42 1.53 0.00 -0.77 0.10 119.26 123.00 1x37 h ALA 59 Ca 0.07 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1x37 h ALA 59 Cb 0.26 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1x37 h ALA 59 CO -0.00 0.27 -0.20 0.00 0.00 0.00 0.00 179.25 179.32 1x37 h ALA 60 N 1.54 -0.56 -0.86 0.00 0.00 0.06 -1.90 119.26 117.53 1x37 h ALA 60 Ca 0.38 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1x37 h ALA 60 Cb 0.27 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1x37 h ALA 60 CO -0.15 -0.68 0.55 0.97 0.00 0.00 0.00 179.25 179.95 1x37 h ILE 61 N -0.84 1.23 0.18 0.00 2.10 -0.75 0.24 117.51 119.67 1x37 h ILE 61 Ca -0.06 -0.45 -0.01 0.00 1.08 0.00 0.00 64.86 65.42 1x37 h ILE 61 Cb 0.55 -0.02 -0.00 0.00 -1.09 0.00 0.00 36.82 36.26 1x37 h ILE 61 CO 0.09 0.23 -0.13 0.00 -1.08 0.00 0.00 178.15 177.26 1x37 h ARG 63 N -0.30 0.54 -1.05 0.00 0.11 -1.32 0.25 114.38 112.62 1x37 h ARG 63 Ca -0.02 -0.03 0.37 0.00 0.10 0.00 0.00 59.98 60.39 1x37 h ARG 63 Cb 0.24 -0.12 -0.16 0.00 1.11 0.00 0.00 29.97 31.05 1x37 h ARG 63 CO 0.01 0.36 0.60 -0.22 0.10 0.00 0.00 179.97 180.82 1x37 h LYS 64 N 0.55 0.18 -0.15 0.08 3.64 -0.42 2.69 116.57 123.13 1x37 h LYS 64 Ca 0.20 -0.01 -0.21 0.00 -1.27 0.00 0.00 60.65 59.36 1x37 h LYS 64 Cb 0.05 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 1x37 h LYS 64 CO -0.10 0.12 -0.73 0.00 -2.27 0.00 0.00 179.45 176.47 1x37 h ALA 65 N 1.86 0.42 -0.90 5.00 0.00 0.08 -2.15 119.26 123.58 1x37 h ALA 65 Ca 0.78 -0.59 0.08 0.00 0.00 0.00 0.00 54.91 55.18 1x37 h ALA 65 Cb 1.99 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 19.67 1x37 h ALA 65 CO -0.63 0.70 0.56 0.00 0.00 0.00 0.00 179.25 179.88 1x37 h ALA 66 N 0.69 1.27 -0.11 0.00 0.00 0.57 -1.85 119.26 119.84 1x37 h ALA 66 Ca -0.04 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.65 1x37 h ALA 66 Cb 1.34 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.91 1x37 h ALA 66 CO 0.14 0.27 -0.82 0.87 0.00 0.00 0.00 179.25 179.71 1x37 h LYS 67 N 0.98 0.71 0.00 0.00 1.57 -0.91 -2.91 116.57 116.01 1x37 h LYS 67 Ca 0.41 -0.61 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 1x37 h LYS 67 Cb 0.26 0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.71 1x37 h LYS 67 CO -0.20 1.22 0.07 0.00 -0.57 0.00 0.00 179.45 179.97 1x37 n ALA 68 N -2.60 0.86 -0.39 3.86 0.00 -0.70 -2.50 120.51 119.04 1x37 n ALA 68 Ca -0.07 0.00 0.37 0.00 0.00 0.00 0.00 53.44 53.73 1x37 n ALA 68 Cb 0.77 -0.67 0.73 0.00 0.00 0.00 0.00 19.45 20.27 1x37 n ALA 68 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1x37 h ILE 69 N 0.00 0.34 -0.30 0.00 6.09 -1.45 0.96 117.51 123.15 1x37 h ILE 69 Ca 0.00 -0.02 0.09 0.00 -1.37 0.00 0.00 64.86 63.56 1x37 h ILE 69 Cb 0.14 0.29 -0.01 0.00 0.47 0.00 0.00 36.82 37.71 1x37 h ILE 69 CO 0.00 0.01 0.24 0.58 -3.07 0.00 0.00 178.15 175.91 1x37 h VAL 70 N 0.05 0.71 -1.43 2.19 2.07 -1.79 -3.37 116.25 114.68 1x37 h VAL 70 Ca 0.64 0.00 -0.41 0.00 0.82 0.00 0.00 66.70 67.75 1x37 h VAL 70 Cb 2.43 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 32.99 1x37 h VAL 70 CO -0.06 0.00 1.09 0.00 0.02 0.00 0.00 177.57 178.62 1x37 s ALA 71 N -4.91 1.92 0.05 1.67 0.00 0.33 -4.42 121.76 116.41 1x37 s ALA 71 Ca -0.05 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 50.93 1x37 s ALA 71 Cb 0.18 -4.41 0.00 0.00 0.00 0.00 0.00 23.12 18.88 1x37 s ALA 71 CO 0.66 -4.32 0.00 -1.91 0.00 0.00 0.00 175.76 170.19 1x37 n GLU 72 N 9.04 -5.18 -1.52 0.00 4.07 -1.26 -4.44 120.64 121.35 1x37 n GLU 72 Ca 0.29 3.73 -0.15 0.00 -0.06 0.00 0.00 57.16 60.97 1x37 n GLU 72 Cb 0.50 -4.57 -0.11 0.00 -0.06 0.00 0.00 31.44 27.19 1x37 n GLU 72 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1x37 n GLU 73 N 1.89 0.34 -4.72 5.31 1.02 -1.26 -4.86 120.64 118.34 1x37 n GLU 73 Ca 0.00 -0.68 -0.33 0.00 -0.02 0.00 0.00 57.16 56.13 1x37 n GLU 73 Cb 0.00 -2.88 -0.14 0.00 -0.02 0.00 0.00 31.44 28.40 1x37 n GLU 73 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1x37 s ARG 74 N 8.20 3.26 0.09 3.49 0.52 -1.26 -5.10 118.95 128.15 1x37 s ARG 74 Ca 0.98 -0.65 -0.23 0.00 -0.52 0.00 0.00 55.73 55.31 1x37 s ARG 74 Cb -0.31 -2.64 -0.07 0.00 0.52 0.00 0.00 34.95 32.46 1x37 s ARG 74 CO 0.22 0.31 0.70 -1.59 0.02 0.00 0.00 175.30 174.96 1x37 s LYS 75 N 0.11 4.43 0.07 3.54 -2.85 -1.26 -4.71 119.74 119.06 1x37 s LYS 75 Ca -0.05 0.98 0.00 0.00 -1.00 0.00 0.00 55.97 55.90 1x37 s LYS 75 Cb -0.15 -3.29 0.00 0.00 -2.06 0.00 0.00 37.83 32.34 1x37 s LYS 75 CO 0.04 0.50 0.00 0.54 0.10 0.00 0.00 175.35 176.53 1x37 n ARG 76 N 2.03 -4.95 -3.40 1.78 1.74 -1.25 -4.89 116.66 107.72 1x37 n ARG 76 Ca -0.06 3.55 -0.40 0.00 -0.77 0.00 0.00 57.85 60.17 1x37 n ARG 76 Cb 0.50 -4.32 -0.09 0.00 -1.02 0.00 0.00 32.46 27.53 1x37 n ARG 76 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1x37 s ILE 77 N -0.54 5.17 0.16 0.55 1.01 -1.26 -4.88 121.20 121.41 1x37 s ILE 77 Ca 0.00 0.26 -0.29 0.00 0.00 0.00 0.00 60.65 60.61 1x37 s ILE 77 Cb 0.00 -3.77 -0.07 0.00 0.01 0.00 0.00 42.46 38.63 1x37 s ILE 77 CO 0.00 0.01 0.93 -0.89 0.00 0.00 0.00 174.94 174.99 1x37 s THR 78 N 2.04 4.34 -0.36 2.92 2.01 -1.26 -0.44 115.64 124.90 1x37 s THR 78 Ca 0.13 2.03 0.01 0.00 0.31 0.00 0.00 61.69 64.18 1x37 s THR 78 Cb -0.16 -4.30 0.11 0.00 0.01 0.00 0.00 72.50 68.15 1x37 s THR 78 CO 0.11 0.40 0.12 -0.69 -0.69 0.00 0.00 174.62 173.87 1x37 s VAL 79 N -0.52 1.50 0.00 3.82 1.01 -0.65 -4.92 120.40 120.63 1x37 s VAL 79 Ca 0.44 -2.02 0.00 0.00 0.00 0.00 0.00 61.98 60.40 1x37 s VAL 79 Cb -0.24 -2.10 0.00 0.00 0.00 0.00 0.00 36.38 34.03 1x37 s VAL 79 CO 0.30 -0.70 0.00 0.41 0.00 0.00 0.00 175.10 175.11 1x37 n THR 80 N 4.32 0.00 -0.07 3.92 -1.04 -1.26 -3.90 114.28 116.25 1x37 n THR 80 Ca 0.02 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 61.99 1x37 n THR 80 Cb 0.40 0.00 -0.13 0.00 -1.82 0.00 0.00 70.33 68.78 1x37 n THR 80 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 1x37 n GLU 81 N 0.00 1.11 -0.02 -2.82 0.28 -1.26 -4.33 120.64 113.60 1x37 n GLU 81 Ca 0.00 -0.04 -0.17 0.00 -0.16 0.00 0.00 57.16 56.79 1x37 n GLU 81 Cb 0.00 -1.43 -0.14 0.00 1.43 0.00 0.00 31.44 31.30 1x37 n GLU 81 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 1x37 h LYS 82 N 0.00 0.13 -1.02 3.44 1.79 -2.01 -3.29 116.57 115.62 1x37 h LYS 82 Ca -0.36 -0.23 0.27 0.00 -2.18 0.00 0.00 60.65 58.16 1x37 h LYS 82 Cb 1.77 0.09 -0.12 0.00 -1.58 0.00 0.00 32.23 32.39 1x37 h LYS 82 CO 0.02 1.11 0.61 -0.91 -1.08 0.00 0.00 179.45 179.20 1x37 h ASN 83 N -0.72 0.59 -0.72 0.86 -0.26 -1.93 -1.68 115.58 111.72 1x37 h ASN 83 Ca -0.06 0.14 0.07 0.00 -0.56 0.00 0.00 56.30 55.88 1x37 h ASN 83 Cb 1.29 0.06 -0.09 0.00 -1.06 0.00 0.00 38.32 38.51 1x37 h ASN 83 CO 0.07 0.04 -0.47 -0.07 -1.06 0.00 0.00 177.43 175.94 1x37 h LEU 84 N 0.48 -1.70 -1.04 1.61 3.38 -1.75 1.09 115.31 117.37 1x37 h LEU 84 Ca 0.66 0.25 0.33 0.00 0.09 0.00 0.00 57.88 59.22 1x37 h LEU 84 Cb 1.42 0.74 -0.15 0.00 0.09 0.00 0.00 40.66 42.77 1x37 h LEU 84 CO -0.47 -0.21 0.59 1.56 0.09 0.00 0.00 178.44 180.00 1x37 h GLN 85 N -0.06 0.30 -0.74 1.13 4.20 -1.49 0.98 115.11 119.44 1x37 h GLN 85 Ca 0.12 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.75 1x37 h GLN 85 Cb 0.36 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.04 1x37 h GLN 85 CO -0.71 0.20 0.25 0.22 -0.67 0.00 0.00 178.83 178.12 1x37 h ASP 86 N 0.31 1.06 0.00 1.46 1.82 0.11 0.71 116.42 121.89 1x37 h ASP 86 Ca 0.74 -0.19 0.00 0.00 -0.39 0.00 0.00 57.03 57.19 1x37 h ASP 86 Cb 1.73 -0.28 0.00 0.00 0.68 0.00 0.00 39.33 41.47 1x37 h ASP 86 CO -0.59 0.97 -0.01 -0.26 -1.61 0.00 0.00 179.24 177.74 1x37 h PHE 87 N 1.09 0.00 0.10 0.28 0.04 0.20 -3.40 116.94 115.25 1x37 h PHE 87 Ca 0.24 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 61.01 1x37 h PHE 87 Cb 0.28 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.43 1x37 h PHE 87 CO 0.02 0.00 -0.05 0.82 -0.60 0.00 0.00 178.31 178.51 1x37 h ILE 88 N -0.44 1.04 -5.72 -0.55 2.04 -0.70 -3.48 117.51 109.71 1x37 h ILE 88 Ca 0.00 -1.36 -0.34 0.00 1.00 0.00 0.00 64.86 64.16 1x37 h ILE 88 Cb 0.01 1.81 0.15 0.00 -0.74 0.00 0.00 36.82 38.05 1x37 h ILE 88 CO 0.00 0.29 -0.80 0.61 0.00 0.00 0.00 178.15 178.26 1x37 n GLY 89 N 0.83 -0.46 3.62 5.37 0.00 0.25 -4.98 105.19 109.82 1x37 n GLY 89 Ca -0.08 0.17 -0.02 0.00 0.00 0.00 0.00 46.02 46.09 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 -5.36 0.55 0.35 1.61 2.20 -1.26 -5.05 119.74 112.77 1x37 s LYS 90 Ca 0.06 -0.27 -0.17 0.00 -0.36 0.00 0.00 55.97 55.24 1x37 s LYS 90 Cb -0.01 0.21 0.05 0.00 -1.51 0.00 0.00 37.83 36.57 1x37 s LYS 90 CO 0.75 -0.25 0.80 -0.98 -0.36 0.00 0.00 175.35 175.32 1x37 s ARG 91 N -2.64 2.09 0.00 4.03 1.70 -1.26 -5.00 118.95 117.86 1x37 s ARG 91 Ca 0.11 -1.32 0.00 0.00 -0.47 0.00 0.00 55.73 54.05 1x37 s ARG 91 Cb 0.01 0.60 0.00 0.00 -0.57 0.00 0.00 34.95 34.99 1x37 s ARG 91 CO -0.04 -0.98 0.00 -0.89 -1.08 0.00 0.00 175.30 172.32 1x37 n ILE 92 N -0.53 0.00 -3.29 4.99 5.41 -1.26 -5.06 119.36 119.61 1x37 n ILE 92 Ca -0.07 0.00 -0.38 0.00 1.00 0.00 0.00 62.75 63.29 1x37 n ILE 92 Cb 0.60 -0.16 -0.06 0.00 -0.71 0.00 0.00 39.64 39.31 1x37 n ILE 92 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 1x37 s PHE 93 N -1.33 3.48 -0.62 1.39 0.40 -1.26 -5.03 117.98 115.01 1x37 s PHE 93 Ca 0.00 0.87 -0.05 0.00 -0.60 0.00 0.00 56.93 57.16 1x37 s PHE 93 Cb 0.00 -2.59 0.16 0.00 0.51 0.00 0.00 43.02 41.10 1x37 s PHE 93 CO 0.00 0.10 0.46 0.50 0.70 0.00 0.00 175.22 176.98 1x37 s ARG 94 N 0.87 2.64 0.00 0.44 3.52 -1.26 -4.98 118.95 120.18 1x37 s ARG 94 Ca 0.26 -2.42 0.00 0.00 -0.13 0.00 0.00 55.73 53.44 1x37 s ARG 94 Cb -0.15 -3.82 0.00 0.00 -1.56 0.00 0.00 34.95 29.42 1x37 s ARG 94 CO 0.10 -1.18 0.00 0.66 -0.81 0.00 0.00 175.30 174.07