#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 -1.26 3.75 0.00 0.00 -1.26 -5.14 105.19 101.28 1x37 n GLY 2 Ca 0.00 0.47 -0.40 0.00 0.00 0.00 0.00 46.02 46.09 1x37 n GLY 2 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1x37 s TYR 3 N 0.00 3.72 0.00 1.61 1.13 -1.26 -4.94 117.35 117.61 1x37 s TYR 3 Ca 0.00 1.75 0.00 0.00 -1.41 0.00 0.00 57.07 57.41 1x37 s TYR 3 Cb 0.00 -3.18 0.00 0.00 -1.10 0.00 0.00 41.96 37.68 1x37 s TYR 3 CO 0.00 -0.22 0.00 0.25 -2.51 0.00 0.00 175.55 173.07 1x37 n THR 4 N 1.64 0.00 -0.22 -3.49 -2.24 -1.26 -4.93 114.28 103.78 1x37 n THR 4 Ca -0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1x37 n THR 4 Cb 0.46 0.00 0.08 0.00 -2.10 0.00 0.00 70.33 68.77 1x37 n THR 4 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1x37 h GLU 5 N 0.00 0.02 0.46 -0.78 5.08 -1.98 0.37 114.58 117.75 1x37 h GLU 5 Ca 0.00 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1x37 h GLU 5 Cb 0.00 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1x37 h GLU 5 CO 0.00 0.01 -0.29 0.82 -1.00 0.00 0.00 179.01 178.56 1x37 h ILE 6 N 0.02 0.41 -0.06 3.13 2.04 -1.99 -0.64 117.51 120.43 1x37 h ILE 6 Ca 0.32 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.21 1x37 h ILE 6 Cb 0.49 0.41 -0.05 0.00 -0.74 0.00 0.00 36.82 36.93 1x37 h ILE 6 CO -0.64 0.00 -0.29 -0.08 0.00 0.00 0.00 178.15 177.14 1x37 h GLU 7 N -0.71 -0.39 -0.91 2.37 4.57 -1.59 0.15 114.58 118.07 1x37 h GLU 7 Ca -0.05 0.03 0.21 0.00 -1.18 0.00 0.00 59.36 58.36 1x37 h GLU 7 Cb 0.58 0.09 -0.12 0.00 -0.16 0.00 0.00 28.75 29.15 1x37 h GLU 7 CO 0.05 -0.26 0.45 0.87 -1.18 0.00 0.00 179.01 178.94 1x37 h LYS 8 N -0.40 0.49 -0.46 1.92 1.57 -0.12 0.17 116.57 119.74 1x37 h LYS 8 Ca 0.08 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.76 1x37 h LYS 8 Cb 0.52 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 1x37 h LYS 8 CO -0.29 0.32 0.04 -0.07 -0.57 0.00 0.00 179.45 178.89 1x37 h LEU 9 N 0.50 0.77 0.45 2.94 3.38 0.53 0.22 115.31 124.11 1x37 h LEU 9 Ca 0.56 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 58.23 1x37 h LEU 9 Cb 0.99 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 1x37 h LEU 9 CO -0.47 0.86 -0.28 -0.08 0.09 0.00 0.00 178.44 178.55 1x37 h GLU 10 N 0.65 -0.68 0.35 1.13 4.57 0.11 -1.40 114.58 119.31 1x37 h GLU 10 Ca 0.14 0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.35 1x37 h GLU 10 Cb 0.44 0.15 0.00 0.00 -0.16 0.00 0.00 28.75 29.19 1x37 h GLU 10 CO 0.02 -0.45 -0.17 -0.84 -1.18 0.00 0.00 179.01 176.38 1x37 h ILE 11 N -0.71 0.00 -1.09 2.32 3.07 -1.17 -0.49 117.51 119.44 1x37 h ILE 11 Ca -0.05 -0.31 0.42 0.00 1.55 0.00 0.00 64.86 66.47 1x37 h ILE 11 Cb 0.58 0.00 -0.16 0.00 -0.27 0.00 0.00 36.82 36.97 1x37 h ILE 11 CO 0.05 0.00 0.63 0.52 -1.05 0.00 0.00 178.15 178.30 1x37 n VAL 12 N -4.13 -0.35 0.10 0.16 0.31 0.78 0.62 118.33 115.82 1x37 n VAL 12 Ca -0.06 1.89 -0.23 0.00 -0.01 0.00 0.00 64.34 65.93 1x37 n VAL 12 Cb 0.19 -3.08 -0.15 0.00 -0.91 0.00 0.00 33.84 29.89 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 0.44 0.00 5.55 3.11 -1.24 -3.19 116.57 121.24 1x37 h LYS 13 Ca 0.83 -0.75 0.00 0.00 -2.81 0.00 0.00 60.65 57.92 1x37 h LYS 13 Cb 2.36 0.28 0.00 0.00 -1.00 0.00 0.00 32.23 33.87 1x37 h LYS 13 CO -0.65 1.36 0.00 -3.47 -2.81 0.00 0.00 179.45 173.88 1x37 n ASP 14 N -3.81 0.00 -0.47 4.20 2.03 0.20 -3.61 116.55 115.10 1x37 n ASP 14 Ca -0.18 0.56 0.40 0.00 0.52 0.00 0.00 54.79 56.09 1x37 n ASP 14 Cb 1.02 -0.38 0.67 0.00 -0.72 0.00 0.00 41.12 41.72 1x37 n ASP 14 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1x37 n HIS 15 N -1.63 0.69 -0.26 -0.67 1.44 0.48 -1.28 115.22 114.00 1x37 n HIS 15 Ca 0.00 0.70 0.22 0.00 -2.01 0.00 0.00 57.72 56.63 1x37 n HIS 15 Cb 0.00 -1.14 0.41 0.00 0.12 0.00 0.00 29.99 29.38 1x37 n HIS 15 CO 0.00 0.00 0.00 -0.11 -2.81 0.00 0.00 176.34 173.42 1x37 n LEU 16 N -4.70 0.18 0.00 2.39 0.00 -1.20 -0.34 117.00 113.32 1x37 n LEU 16 Ca 0.40 1.35 0.00 0.00 0.00 0.00 0.00 56.01 57.76 1x37 n LEU 16 Cb 1.56 -0.61 0.00 0.00 0.00 0.00 0.00 43.42 44.37 1x37 n LEU 16 CO 0.18 -1.47 0.00 0.18 0.00 0.00 0.00 177.39 176.28 1x37 n LEU 17 N -4.92 0.18 -0.06 -1.96 4.77 -0.40 -4.17 117.00 110.44 1x37 n LEU 17 Ca 0.27 0.46 -0.09 0.00 -0.03 0.00 0.00 56.01 56.62 1x37 n LEU 17 Cb 0.93 -0.47 -0.02 0.00 -2.33 0.00 0.00 43.42 41.52 1x37 n LEU 17 CO -0.01 -0.47 0.96 1.55 -1.33 0.00 0.00 177.39 178.09 1x37 h PRO 18 N 0.00 0.28 -0.76 3.23 0.13 -1.66 0.40 132.00 133.63 1x37 h PRO 18 Ca 0.00 -0.02 0.10 0.00 -0.87 0.00 0.00 66.00 65.21 1x37 h PRO 18 Cb 0.00 -0.06 -0.12 0.00 0.13 0.00 0.00 31.00 30.95 1x37 h PRO 18 CO 0.00 0.19 -0.49 -0.22 -0.23 0.00 0.00 178.00 177.25 1x37 h LYS 19 N 0.29 -0.14 0.05 0.86 3.11 -0.92 0.26 116.57 120.08 1x37 h LYS 19 Ca 0.10 0.01 -0.07 0.00 -2.81 0.00 0.00 60.65 57.88 1x37 h LYS 19 Cb -0.00 0.03 0.01 0.00 -1.00 0.00 0.00 32.23 31.27 1x37 h LYS 19 CO -0.05 -0.09 -0.30 1.96 -2.81 0.00 0.00 179.45 178.16 1x37 h GLN 20 N -0.14 0.10 -0.96 1.90 1.08 -1.70 -3.32 115.11 112.06 1x37 h GLN 20 Ca 0.19 -0.17 0.19 0.00 -1.45 0.00 0.00 58.65 57.41 1x37 h GLN 20 Cb 0.53 0.06 -0.09 0.00 -0.05 0.00 0.00 27.48 27.94 1x37 h GLN 20 CO -0.81 1.08 0.61 0.82 -0.95 0.00 0.00 178.83 179.59 1x37 h ILE 21 N -0.79 0.72 0.00 2.54 1.08 -0.62 -0.95 117.51 119.50 1x37 h ILE 21 Ca -0.05 -0.23 0.00 0.00 -0.39 0.00 0.00 64.86 64.19 1x37 h ILE 21 Cb 1.22 0.01 0.00 0.00 -3.07 0.00 0.00 36.82 34.98 1x37 h ILE 21 CO 0.05 0.12 0.00 0.29 -0.69 0.00 0.00 178.15 177.92 1x37 n LYS 22 N -4.65 0.00 -0.33 2.37 5.02 0.87 0.45 118.16 121.90 1x37 n LYS 22 Ca 0.21 0.00 0.31 0.00 -2.02 0.00 0.00 58.31 56.81 1x37 n LYS 22 Cb 0.59 -0.69 0.57 0.00 -0.02 0.00 0.00 35.03 35.49 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 0.06 0.18 1.97 4.81 -1.66 1.35 114.58 121.29 1x37 h GLU 23 Ca 0.00 -0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 58.91 1x37 h GLU 23 Cb 0.00 -0.01 0.01 0.00 0.63 0.00 0.00 28.75 29.38 1x37 h GLU 23 CO 0.00 0.04 -1.49 0.45 -0.73 0.00 0.00 179.01 177.29 1x37 h HIS 24 N 0.06 0.69 -1.32 0.92 3.86 -1.25 -3.30 115.15 114.81 1x37 h HIS 24 Ca 0.83 -0.50 0.46 0.00 -1.16 0.00 0.00 60.37 60.00 1x37 h HIS 24 Cb 2.17 -0.03 -0.13 0.00 1.06 0.00 0.00 27.41 30.48 1x37 h HIS 24 CO -0.01 1.47 0.85 0.41 0.86 0.00 0.00 177.93 181.51 1x37 n GLY 25 N 1.68 -0.80 0.29 2.45 0.00 1.58 -0.28 105.19 110.11 1x37 n GLY 25 Ca -0.16 0.73 0.27 0.00 0.00 0.00 0.00 46.02 46.86 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 -4.64 0.25 -4.93 0.99 0.00 -1.04 -4.04 117.00 103.59 1x37 n LEU 26 Ca 0.39 1.27 -0.27 0.00 0.00 0.00 0.00 56.01 57.40 1x37 n LEU 26 Cb 1.50 -0.62 -0.03 0.00 0.00 0.00 0.00 43.42 44.27 1x37 n LEU 26 CO 0.17 -1.41 -0.03 -0.54 0.00 0.00 0.00 177.39 175.58 1x37 s LYS 27 N -5.14 3.49 0.79 1.96 1.02 0.61 -5.04 119.74 117.43 1x37 s LYS 27 Ca -0.07 -0.44 -0.17 0.00 0.02 0.00 0.00 55.97 55.31 1x37 s LYS 27 Cb 0.27 -2.89 -0.13 0.00 -0.52 0.00 0.00 37.83 34.55 1x37 s LYS 27 CO 0.63 0.45 -0.39 0.36 -0.92 0.00 0.00 175.35 175.48 1x37 n LYS 28 N -0.59 0.01 -1.50 1.68 2.85 -1.26 -4.27 118.16 115.08 1x37 n LYS 28 Ca -0.06 0.01 -0.32 0.00 -1.05 0.00 0.00 58.31 56.89 1x37 n LYS 28 Cb 0.54 -1.10 -0.18 0.00 -0.65 0.00 0.00 35.03 33.64 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 2.63 -0.39 -2.61 -5.58 2.88 -1.26 -4.72 113.62 104.57 1x37 n SER 29 Ca 0.03 -0.19 -0.24 0.00 -1.33 0.00 0.00 58.87 57.15 1x37 n SER 29 Cb 0.52 -0.79 -0.00 0.00 -0.75 0.00 0.00 64.21 63.19 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 8.67 3.98 -3.64 -3.46 2.85 -1.26 -3.23 115.26 119.17 1x37 n ASN 30 Ca 0.66 -3.52 -0.07 0.00 -0.11 0.00 0.00 54.58 51.53 1x37 n ASN 30 Cb 0.10 -0.49 -0.07 0.00 1.24 0.00 0.00 39.78 40.56 1x37 n ASN 30 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 1x37 s LEU 31 N -3.42 -0.88 -0.38 1.20 2.96 -1.26 -4.16 118.68 112.74 1x37 s LEU 31 Ca 0.44 1.43 0.02 0.00 -0.22 0.00 0.00 54.13 55.81 1x37 s LEU 31 Cb 0.39 2.33 0.16 0.00 0.50 0.00 0.00 46.19 49.57 1x37 s LEU 31 CO -0.14 -0.23 0.33 -1.10 -1.32 0.00 0.00 176.35 173.89 1x37 s GLN 32 N 1.44 0.70 -0.12 1.98 -0.21 0.48 -4.73 119.66 119.19 1x37 s GLN 32 Ca -0.09 -1.35 -0.14 0.00 0.02 0.00 0.00 55.36 53.80 1x37 s GLN 32 Cb -0.05 -1.06 -0.05 0.00 1.00 0.00 0.00 33.01 32.86 1x37 s GLN 32 CO -0.17 -1.26 0.33 -0.51 -2.12 0.00 0.00 175.29 171.56 1x37 s LEU 33 N 0.93 4.30 0.45 2.90 1.43 -1.26 -0.99 118.68 126.43 1x37 s LEU 33 Ca 0.22 0.63 -0.04 0.00 -1.03 0.00 0.00 54.13 53.91 1x37 s LEU 33 Cb -0.13 -2.43 -0.03 0.00 0.03 0.00 0.00 46.19 43.63 1x37 s LEU 33 CO -0.06 0.14 0.72 -0.13 0.23 0.00 0.00 176.35 177.26 1x37 s ARG 34 N 0.13 3.52 0.19 1.70 0.52 -1.25 -4.98 118.95 118.76 1x37 s ARG 34 Ca 0.19 0.05 -0.11 0.00 -0.52 0.00 0.00 55.73 55.34 1x37 s ARG 34 Cb -0.14 -2.45 0.11 0.00 0.52 0.00 0.00 34.95 32.99 1x37 s ARG 34 CO 0.06 -0.12 1.77 -0.44 0.02 0.00 0.00 175.30 176.60 1x37 h ASP 35 N 0.36 0.88 -1.01 0.23 3.32 -1.98 -2.49 116.42 115.74 1x37 h ASP 35 Ca -0.48 -0.14 0.06 0.00 0.02 0.00 0.00 57.03 56.50 1x37 h ASP 35 Cb 1.21 -0.23 -0.07 0.00 0.22 0.00 0.00 39.33 40.47 1x37 h ASP 35 CO 0.61 0.77 0.65 -0.61 -1.72 0.00 0.00 179.24 178.95 1x37 h GLN 36 N 0.93 1.16 0.00 3.56 4.15 -1.97 -1.16 115.11 121.78 1x37 h GLN 36 Ca 0.23 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.58 1x37 h GLN 36 Cb 0.13 -0.26 0.00 0.00 0.21 0.00 0.00 27.48 27.56 1x37 h GLN 36 CO -0.03 0.77 0.00 0.00 -1.93 0.00 0.00 178.83 177.64 1x37 n ALA 37 N -2.37 -0.36 -0.34 3.38 0.00 -0.95 -0.33 120.51 119.55 1x37 n ALA 37 Ca 0.15 0.00 0.26 0.00 0.00 0.00 0.00 53.44 53.86 1x37 n ALA 37 Cb 0.17 0.00 0.51 0.00 0.00 0.00 0.00 19.45 20.13 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 0.24 -0.57 0.00 1.08 -1.51 0.93 117.51 117.67 1x37 h ILE 38 Ca 0.00 -0.09 -0.10 0.00 -0.39 0.00 0.00 64.86 64.29 1x37 h ILE 38 Cb 0.00 -0.03 -0.02 0.00 -3.07 0.00 0.00 36.82 33.70 1x37 h ILE 38 CO 0.00 0.05 -0.02 -0.07 -0.69 0.00 0.00 178.15 177.41 1x37 h LEU 39 N 0.25 0.99 0.37 1.44 3.38 -1.03 -2.85 115.31 117.87 1x37 h LEU 39 Ca 0.76 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 58.43 1x37 h LEU 39 Cb 1.85 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 42.33 1x37 h LEU 39 CO -0.61 1.06 -0.18 -0.78 0.09 0.00 0.00 178.44 178.02 1x37 h ASP 40 N 0.92 -0.43 -1.04 -0.43 3.58 0.39 -1.15 116.42 118.27 1x37 h ASP 40 Ca 0.16 0.01 0.35 0.00 0.42 0.00 0.00 57.03 57.98 1x37 h ASP 40 Cb 0.57 0.11 -0.15 0.00 1.72 0.00 0.00 39.33 41.57 1x37 h ASP 40 CO 0.03 -0.12 0.60 -0.29 -2.88 0.00 0.00 179.24 176.58 1x37 h ILE 41 N -0.87 0.22 0.01 2.25 2.10 -1.27 0.51 117.51 120.46 1x37 h ILE 41 Ca -0.05 -0.08 -0.27 0.00 1.08 0.00 0.00 64.86 65.54 1x37 h ILE 41 Cb 0.38 -0.03 0.02 0.00 -1.09 0.00 0.00 36.82 36.11 1x37 h ILE 41 CO 0.08 0.04 -1.06 0.40 -1.08 0.00 0.00 178.15 176.54 1x37 h ILE 42 N 0.23 1.29 -0.48 2.19 2.04 -1.52 -2.25 117.51 119.01 1x37 h ILE 42 Ca 0.77 -2.29 -0.13 0.00 1.00 0.00 0.00 64.86 64.20 1x37 h ILE 42 Cb 1.89 2.42 -0.01 0.00 -0.74 0.00 0.00 36.82 40.38 1x37 h ILE 42 CO -0.61 0.71 -0.21 0.03 0.00 0.00 0.00 178.15 178.07 1x37 h ARG 43 N 0.37 0.97 0.08 2.37 3.08 0.12 0.26 114.38 121.63 1x37 h ARG 43 Ca -0.13 -0.41 -0.29 0.00 0.07 0.00 0.00 59.98 59.23 1x37 h ARG 43 Cb 1.71 -0.04 0.02 0.00 0.08 0.00 0.00 29.97 31.75 1x37 h ARG 43 CO 0.20 1.08 -1.17 1.88 -1.07 0.00 0.00 179.97 180.89 1x37 h TYR 44 N 0.84 0.98 0.00 3.04 -1.99 -0.71 -3.38 116.97 115.75 1x37 h TYR 44 Ca 0.11 -0.59 0.00 0.00 2.00 0.00 0.00 58.73 60.25 1x37 h TYR 44 Cb 0.78 -0.09 0.00 0.00 2.00 0.00 0.00 36.73 39.42 1x37 h TYR 44 CO 0.05 1.43 -0.08 1.88 -0.00 0.00 0.00 178.16 181.44 1x37 h TYR 45 N 0.30 0.00 -0.37 4.88 -1.99 -1.41 -3.31 116.97 115.08 1x37 h TYR 45 Ca -0.16 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.53 1x37 h TYR 45 Cb 1.84 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 40.55 1x37 h TYR 45 CO 0.11 0.00 -0.04 2.41 -0.00 0.00 0.00 178.16 180.64 1x37 n THR 46 N -4.31 0.00 -1.43 -2.88 -1.04 0.93 -4.70 114.28 100.84 1x37 n THR 46 Ca -0.01 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.66 1x37 n THR 46 Cb 0.04 -0.50 0.06 0.00 -1.82 0.00 0.00 70.33 68.11 1x37 n THR 46 CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 1x37 n ARG 47 N -0.05 2.61 -0.09 -2.82 1.85 -1.26 -4.40 116.66 112.49 1x37 n ARG 47 Ca -0.02 -3.14 -0.17 0.00 -1.00 0.00 0.00 57.85 53.53 1x37 n ARG 47 Cb 0.22 -2.21 -0.13 0.00 -1.05 0.00 0.00 32.46 29.29 1x37 n ARG 47 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 177.63 176.77 1x37 n GLU 48 N -0.63 0.68 -3.78 2.89 0.00 -1.26 -5.00 120.64 113.53 1x37 n GLU 48 Ca 0.57 0.15 -0.28 0.00 0.00 0.00 0.00 57.16 57.60 1x37 n GLU 48 Cb 0.55 -1.57 0.02 0.00 0.00 0.00 0.00 31.44 30.43 1x37 n GLU 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1x37 n ALA 49 N -3.07 -2.29 0.00 -1.84 0.00 -1.26 -4.61 120.51 107.44 1x37 n ALA 49 Ca -0.39 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 52.80 1x37 n ALA 49 Cb 1.04 -2.89 0.00 0.00 0.00 0.00 0.00 19.45 17.59 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 -1.78 4.23 0.19 0.00 0.00 -1.26 -4.89 105.19 101.67 1x37 n GLY 50 Ca -0.20 -1.51 -0.18 0.00 0.00 0.00 0.00 46.02 44.13 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 2.02 1.32 -0.65 1.61 -1.51 -1.99 -2.86 116.25 114.19 1x37 h VAL 51 Ca 0.00 -2.06 0.11 0.00 -1.23 0.00 0.00 66.70 63.52 1x37 h VAL 51 Cb 0.00 2.27 -0.12 0.00 -2.13 0.00 0.00 31.29 31.31 1x37 h VAL 51 CO 0.00 0.63 -0.36 0.03 -1.23 0.00 0.00 177.57 176.64 1x37 h ARG 52 N 0.30 -0.14 -0.59 5.19 2.47 -1.93 0.21 114.38 119.89 1x37 h ARG 52 Ca -0.08 0.01 -0.09 0.00 -1.26 0.00 0.00 59.98 58.56 1x37 h ARG 52 Cb 1.45 0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 29.78 1x37 h ARG 52 CO 0.16 -0.10 0.01 0.77 0.56 0.00 0.00 179.97 181.37 1x37 h SER 53 N -0.15 1.02 0.19 7.04 0.02 -1.81 -1.74 113.55 118.12 1x37 h SER 53 Ca 0.24 -0.30 0.01 0.00 -0.84 0.00 0.00 61.79 60.89 1x37 h SER 53 Cb 0.56 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 62.79 1x37 h SER 53 CO -0.73 1.07 -0.47 0.25 -1.14 0.00 0.00 176.83 175.81 1x37 h LEU 54 N 0.93 -1.40 -1.28 5.07 6.46 -0.46 0.23 115.31 124.87 1x37 h LEU 54 Ca 0.17 0.14 0.12 0.00 -0.12 0.00 0.00 57.88 58.19 1x37 h LEU 54 Cb 0.55 0.50 -0.07 0.00 -0.73 0.00 0.00 40.66 40.91 1x37 h LEU 54 CO 0.03 -0.53 0.56 1.05 -0.62 0.00 0.00 178.44 178.93 1x37 h GLU 55 N -0.74 0.73 -0.71 1.25 4.11 -0.82 -0.81 114.58 117.59 1x37 h GLU 55 Ca -0.02 -0.04 -0.05 0.00 0.07 0.00 0.00 59.36 59.32 1x37 h GLU 55 Cb 0.71 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 1x37 h GLU 55 CO -0.21 0.48 0.26 -0.09 0.07 0.00 0.00 179.01 179.51 1x37 h ARG 56 N 0.75 1.09 -0.18 1.06 2.43 -0.13 0.29 114.38 119.68 1x37 h ARG 56 Ca 0.42 -0.22 -0.02 0.00 -0.81 0.00 0.00 59.98 59.36 1x37 h ARG 56 Cb 0.58 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.96 1x37 h ARG 56 CO -0.19 0.91 0.03 0.37 -1.51 0.00 0.00 179.97 179.59 1x37 h GLN 57 N 1.03 0.30 -0.50 0.20 4.15 0.80 0.27 115.11 121.36 1x37 h GLN 57 Ca 0.23 -0.08 -0.12 0.00 0.77 0.00 0.00 58.65 59.45 1x37 h GLN 57 Cb 0.26 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.90 1x37 h GLN 57 CO -0.01 0.46 -0.15 -0.07 -1.93 0.00 0.00 178.83 177.13 1x37 h LEU 58 N 0.09 1.00 -1.21 -2.39 3.38 -1.23 -2.00 115.31 112.96 1x37 h LEU 58 Ca 0.06 -0.37 0.01 0.00 0.09 0.00 0.00 57.88 57.66 1x37 h LEU 58 Cb 0.31 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 1x37 h LEU 58 CO 0.00 1.14 0.53 0.00 0.09 0.00 0.00 178.44 180.21 1x37 h ALA 59 N 0.89 1.42 0.71 1.53 0.00 -0.29 0.14 119.26 123.67 1x37 h ALA 59 Ca 0.12 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1x37 h ALA 59 Cb 0.72 -0.33 0.01 0.00 0.00 0.00 0.00 17.79 18.19 1x37 h ALA 59 CO 0.06 0.54 -0.34 0.00 0.00 0.00 0.00 179.25 179.50 1x37 h ALA 60 N 1.49 -1.17 -0.94 0.00 0.00 -0.39 -1.71 119.26 116.54 1x37 h ALA 60 Ca 0.30 -0.21 0.07 0.00 0.00 0.00 0.00 54.91 55.06 1x37 h ALA 60 Cb -0.13 0.37 -0.07 0.00 0.00 0.00 0.00 17.79 17.97 1x37 h ALA 60 CO -0.06 -1.10 0.60 0.97 0.00 0.00 0.00 179.25 179.66 1x37 h ILE 61 N -1.03 1.06 0.00 0.00 2.10 -1.22 0.15 117.51 118.57 1x37 h ILE 61 Ca -0.10 -0.37 0.00 0.00 1.08 0.00 0.00 64.86 65.47 1x37 h ILE 61 Cb 0.73 -0.12 0.00 0.00 -1.09 0.00 0.00 36.82 36.35 1x37 h ILE 61 CO 0.16 0.20 0.00 0.00 -1.08 0.00 0.00 178.15 177.43 1x37 h ARG 63 N 0.00 0.37 -1.05 0.00 3.08 -1.26 0.20 114.38 115.72 1x37 h ARG 63 Ca 0.00 -0.02 0.38 0.00 0.07 0.00 0.00 59.98 60.41 1x37 h ARG 63 Cb 0.00 -0.08 -0.16 0.00 0.08 0.00 0.00 29.97 29.81 1x37 h ARG 63 CO 0.00 0.25 0.60 -0.22 -1.07 0.00 0.00 179.97 179.53 1x37 h LYS 64 N 0.38 0.15 -0.10 0.04 1.63 -0.52 2.61 116.57 120.76 1x37 h LYS 64 Ca 0.28 -0.01 -0.22 0.00 -0.85 0.00 0.00 60.65 59.85 1x37 h LYS 64 Cb 0.33 -0.03 0.01 0.00 -0.60 0.00 0.00 32.23 31.93 1x37 h LYS 64 CO -0.28 0.10 -0.82 0.00 -3.45 0.00 0.00 179.45 174.99 1x37 h ALA 65 N 1.87 0.36 0.17 5.00 0.00 0.69 -3.01 119.26 124.35 1x37 h ALA 65 Ca 0.80 -0.63 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1x37 h ALA 65 Cb 2.06 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.83 1x37 h ALA 65 CO -0.64 0.72 -0.10 0.00 0.00 0.00 0.00 179.25 179.22 1x37 h ALA 66 N 0.65 -0.25 -0.97 0.00 0.00 0.54 -2.27 119.26 116.96 1x37 h ALA 66 Ca -0.06 -0.05 0.14 0.00 0.00 0.00 0.00 54.91 54.94 1x37 h ALA 66 Cb 1.44 0.12 -0.08 0.00 0.00 0.00 0.00 17.79 19.27 1x37 h ALA 66 CO 0.16 -0.65 0.61 -0.22 0.00 0.00 0.00 179.25 179.15 1x37 h LYS 67 N -0.26 0.84 0.00 0.00 1.63 -0.74 0.24 116.57 118.28 1x37 h LYS 67 Ca -0.02 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.73 1x37 h LYS 67 Cb 0.22 -0.19 0.00 0.00 -0.60 0.00 0.00 32.23 31.66 1x37 h LYS 67 CO 0.02 0.55 0.14 0.00 -3.45 0.00 0.00 179.45 176.72 1x37 n ALA 68 N -2.38 0.71 -0.04 5.00 0.00 -0.85 -1.80 120.51 121.15 1x37 n ALA 68 Ca 0.19 0.00 0.24 0.00 0.00 0.00 0.00 53.44 53.87 1x37 n ALA 68 Cb 0.42 -0.64 0.72 0.00 0.00 0.00 0.00 19.45 19.96 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 0.53 0.00 0.00 6.09 -0.58 0.30 117.51 123.85 1x37 h ILE 69 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1x37 h ILE 69 Cb 0.28 0.62 0.00 0.00 0.47 0.00 0.00 36.82 38.19 1x37 h ILE 69 CO 0.00 0.00 0.07 1.33 -3.07 0.00 0.00 178.15 176.48 1x37 n VAL 70 N -4.09 1.12 0.00 2.19 0.24 -0.74 -3.63 118.33 113.42 1x37 n VAL 70 Ca 0.13 0.35 0.00 0.00 -2.04 0.00 0.00 64.34 62.78 1x37 n VAL 70 Cb 0.76 -1.35 0.00 0.00 -1.47 0.00 0.00 33.84 31.78 1x37 n VAL 70 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1x37 n ALA 71 N -1.25 0.00 -0.65 2.33 0.00 0.10 -4.71 120.51 116.33 1x37 n ALA 71 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 1x37 n ALA 71 Cb 0.07 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.43 1x37 n ALA 71 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1x37 n GLU 72 N 0.00 1.30 0.00 0.00 2.13 -1.26 -4.84 120.64 117.97 1x37 n GLU 72 Ca 0.00 -0.57 0.00 0.00 0.66 0.00 0.00 57.16 57.25 1x37 n GLU 72 Cb 0.00 -1.71 0.00 0.00 0.27 0.00 0.00 31.44 30.00 1x37 n GLU 72 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1x37 n GLU 73 N 2.43 0.00 0.00 5.31 1.02 -1.24 -4.68 120.64 123.48 1x37 n GLU 73 Ca 0.25 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.39 1x37 n GLU 73 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.02 1x37 n GLU 73 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1x37 n ARG 74 N 0.00 0.00 -1.48 3.49 3.00 -1.26 -4.82 116.66 115.60 1x37 n ARG 74 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 57.85 57.98 1x37 n ARG 74 Cb 0.00 -0.26 -0.07 0.00 0.00 0.00 0.00 32.46 32.13 1x37 n ARG 74 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1x37 n LYS 75 N 0.00 -3.47 -3.07 -0.14 4.81 -1.26 -4.88 118.16 110.15 1x37 n LYS 75 Ca 0.00 2.80 -0.05 0.00 -0.87 0.00 0.00 58.31 60.19 1x37 n LYS 75 Cb 0.00 -3.87 0.01 0.00 0.02 0.00 0.00 35.03 31.18 1x37 n LYS 75 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1x37 n ARG 76 N -3.90 -1.52 -2.99 1.64 1.74 -1.20 -4.85 116.66 105.59 1x37 n ARG 76 Ca -0.07 1.51 -0.42 0.00 -0.77 0.00 0.00 57.85 58.10 1x37 n ARG 76 Cb 0.62 -2.66 -0.05 0.00 -1.02 0.00 0.00 32.46 29.35 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 -1.34 4.77 -0.09 0.55 1.01 -1.26 -4.86 121.20 119.99 1x37 s ILE 77 Ca 0.06 0.86 -0.24 0.00 0.00 0.00 0.00 60.65 61.34 1x37 s ILE 77 Cb -0.01 -4.17 -0.03 0.00 0.01 0.00 0.00 42.46 38.25 1x37 s ILE 77 CO 0.38 -0.39 0.72 0.42 0.00 0.00 0.00 174.94 176.07 1x37 s THR 78 N 3.00 5.02 -0.47 2.92 -4.23 -1.26 -0.39 115.64 120.23 1x37 s THR 78 Ca 0.30 1.46 -0.11 0.00 -1.18 0.00 0.00 61.69 62.16 1x37 s THR 78 Cb -0.14 -4.05 0.11 0.00 1.34 0.00 0.00 72.50 69.76 1x37 s THR 78 CO 0.16 0.21 0.36 -0.69 -0.54 0.00 0.00 174.62 174.12 1x37 s VAL 79 N 1.06 4.52 0.33 2.29 1.01 -0.16 -4.94 120.40 124.52 1x37 s VAL 79 Ca 0.37 -1.57 0.05 0.00 0.00 0.00 0.00 61.98 60.83 1x37 s VAL 79 Cb -0.17 -3.88 -0.02 0.00 0.00 0.00 0.00 36.38 32.31 1x37 s VAL 79 CO 0.17 -0.71 0.48 -0.89 0.00 0.00 0.00 175.10 174.15 1x37 s THR 80 N 1.45 4.45 0.54 3.92 2.01 -1.26 -3.97 115.64 122.78 1x37 s THR 80 Ca 0.04 -0.87 0.39 0.00 0.31 0.00 0.00 61.69 61.56 1x37 s THR 80 Cb -0.26 -3.57 0.58 0.00 0.01 0.00 0.00 72.50 69.26 1x37 s THR 80 CO 0.01 -0.26 1.76 1.05 -0.69 0.00 0.00 174.62 176.49 1x37 h GLU 81 N 0.87 0.02 0.15 4.92 4.11 -1.95 -1.20 114.58 121.49 1x37 h GLU 81 Ca -0.48 -0.00 -0.01 0.00 0.07 0.00 0.00 59.36 58.94 1x37 h GLU 81 Cb 1.25 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1x37 h GLU 81 CO 0.56 0.01 -0.07 -0.22 0.07 0.00 0.00 179.01 179.36 1x37 h LYS 82 N 0.02 -0.19 -1.24 1.06 3.64 -2.00 -3.25 116.57 114.60 1x37 h LYS 82 Ca 0.64 0.01 0.44 0.00 -1.27 0.00 0.00 60.65 60.47 1x37 h LYS 82 Cb 2.53 0.04 -0.15 0.00 -0.41 0.00 0.00 32.23 34.25 1x37 h LYS 82 CO -0.03 -0.13 0.77 -0.91 -2.27 0.00 0.00 179.45 176.88 1x37 h ASN 83 N -0.52 0.27 -0.93 4.20 2.35 -1.67 -0.66 115.58 118.62 1x37 h ASN 83 Ca -0.02 0.18 0.12 0.00 -0.55 0.00 0.00 56.30 56.02 1x37 h ASN 83 Cb 0.15 0.18 -0.13 0.00 0.05 0.00 0.00 38.32 38.57 1x37 h ASN 83 CO 0.03 -0.27 -0.45 -0.11 -1.65 0.00 0.00 177.43 174.98 1x37 n LEU 84 N -4.88 -0.78 -0.37 1.61 0.00 -0.55 0.13 117.00 112.16 1x37 n LEU 84 Ca 0.38 1.63 -0.01 0.00 0.00 0.00 0.00 56.01 58.01 1x37 n LEU 84 Cb 1.41 -0.30 0.13 0.00 0.00 0.00 0.00 43.42 44.67 1x37 n LEU 84 CO 0.14 -1.40 1.29 0.06 0.00 0.00 0.00 177.39 177.48 1x37 h GLN 85 N 0.00 1.28 -0.95 1.96 3.07 -1.28 -1.25 115.11 117.94 1x37 h GLN 85 Ca 0.24 -0.08 0.13 0.00 0.09 0.00 0.00 58.65 59.03 1x37 h GLN 85 Cb 0.47 -0.29 -0.08 0.00 0.08 0.00 0.00 27.48 27.67 1x37 h GLN 85 CO -0.90 0.85 0.60 -0.44 0.09 0.00 0.00 178.83 179.03 1x37 h ASP 86 N 1.32 0.81 0.05 0.06 3.32 0.98 1.90 116.42 124.86 1x37 h ASP 86 Ca 0.38 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.47 1x37 h ASP 86 Cb -0.09 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.34 1x37 h ASP 86 CO -0.10 0.43 -0.02 -0.26 -1.72 0.00 0.00 179.24 177.57 1x37 h PHE 87 N 0.87 -0.06 0.29 4.55 0.04 -0.39 -3.40 116.94 118.84 1x37 h PHE 87 Ca 0.47 -0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.22 1x37 h PHE 87 Cb 0.57 0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.74 1x37 h PHE 87 CO -0.00 -0.04 -0.14 0.82 -0.60 0.00 0.00 178.31 178.35 1x37 h ILE 88 N -0.84 0.00 0.00 -0.55 2.04 -1.16 -3.49 117.51 113.51 1x37 h ILE 88 Ca -0.01 -0.48 0.00 0.00 1.00 0.00 0.00 64.86 65.37 1x37 h ILE 88 Cb 0.05 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.13 1x37 h ILE 88 CO 0.01 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.77 1x37 n GLY 89 N 0.58 3.56 2.38 5.37 0.00 0.65 -5.03 105.19 112.70 1x37 n GLY 89 Ca -0.05 -0.56 -0.08 0.00 0.00 0.00 0.00 46.02 45.33 1x37 n GLY 89 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1x37 n LYS 90 N 0.00 0.62 -4.08 1.61 2.85 -1.26 -4.69 118.16 113.21 1x37 n LYS 90 Ca 0.00 -1.67 -0.27 0.00 -1.05 0.00 0.00 58.31 55.31 1x37 n LYS 90 Cb 0.00 1.83 -0.03 0.00 -0.65 0.00 0.00 35.03 36.18 1x37 n LYS 90 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 1x37 s ARG 91 N -2.29 2.25 0.00 -1.58 0.52 -1.26 -4.91 118.95 111.67 1x37 s ARG 91 Ca 0.15 -2.08 0.00 0.00 -0.52 0.00 0.00 55.73 53.28 1x37 s ARG 91 Cb -0.02 -1.98 0.00 0.00 0.52 0.00 0.00 34.95 33.47 1x37 s ARG 91 CO 0.11 -0.53 0.00 -0.89 0.02 0.00 0.00 175.30 174.01 1x37 n ILE 92 N -1.63 0.00 -2.76 1.52 2.08 -1.26 -4.90 119.36 112.41 1x37 n ILE 92 Ca -0.05 0.21 -0.42 0.00 0.56 0.00 0.00 62.75 63.04 1x37 n ILE 92 Cb 0.65 -1.16 -0.03 0.00 -0.75 0.00 0.00 39.64 38.35 1x37 n ILE 92 CO 0.00 0.00 0.00 -0.36 0.56 0.00 0.00 176.55 176.75 1x37 s PHE 93 N -0.42 3.33 -0.92 1.39 0.08 -1.24 -4.97 117.98 115.22 1x37 s PHE 93 Ca 0.00 1.33 -0.02 0.00 0.12 0.00 0.00 56.93 58.36 1x37 s PHE 93 Cb 0.00 -3.17 0.25 0.00 -0.57 0.00 0.00 43.02 39.52 1x37 s PHE 93 CO 0.00 -0.44 0.95 -2.13 -0.10 0.00 0.00 175.22 173.50 1x37 n ARG 94 N 6.14 3.06 -0.64 0.44 0.63 -1.26 -4.94 116.66 120.10 1x37 n ARG 94 Ca 0.09 -4.52 0.00 0.00 -0.92 0.00 0.00 57.85 52.50 1x37 n ARG 94 Cb 0.47 -2.42 0.00 0.00 0.45 0.00 0.00 32.46 30.95 1x37 n ARG 94 CO 0.00 0.00 0.00 0.98 -2.51 0.00 0.00 177.63 176.10