#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 0.81 3.52 0.00 0.00 -1.26 -5.09 105.19 103.17 1x37 n GLY 2 Ca 0.00 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 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 0.19 2.61 0.47 1.61 2.02 -1.26 -5.01 117.35 117.97 1x37 s TYR 3 Ca 0.20 -0.12 -0.22 0.00 -0.37 0.00 0.00 57.07 56.56 1x37 s TYR 3 Cb 0.33 -4.34 -0.08 0.00 -0.40 0.00 0.00 41.96 37.48 1x37 s TYR 3 CO -0.08 -1.65 1.09 0.95 -1.57 0.00 0.00 175.55 174.30 1x37 s THR 4 N 4.56 3.46 0.31 -0.71 -4.23 -1.26 -4.80 115.64 112.97 1x37 s THR 4 Ca 0.31 1.01 0.08 0.00 -1.18 0.00 0.00 61.69 61.90 1x37 s THR 4 Cb -0.12 -3.47 0.31 0.00 1.34 0.00 0.00 72.50 70.56 1x37 s THR 4 CO 0.16 -0.10 1.70 1.05 -0.54 0.00 0.00 174.62 176.89 1x37 h GLU 5 N 1.85 0.44 0.47 3.99 4.11 -1.99 -0.21 114.58 123.23 1x37 h GLU 5 Ca -0.49 -0.03 -0.02 0.00 0.07 0.00 0.00 59.36 58.89 1x37 h GLU 5 Cb 1.23 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1x37 h GLU 5 CO 0.60 0.29 -0.22 0.82 0.07 0.00 0.00 179.01 180.56 1x37 h ILE 6 N 0.45 0.54 -0.06 -1.06 2.04 -1.99 -1.17 117.51 116.26 1x37 h ILE 6 Ca 0.62 -0.05 0.04 0.00 1.00 0.00 0.00 64.86 66.47 1x37 h ILE 6 Cb 1.23 0.57 -0.06 0.00 -0.74 0.00 0.00 36.82 37.82 1x37 h ILE 6 CO -0.53 0.01 -0.40 -0.33 0.00 0.00 0.00 178.15 176.90 1x37 h GLU 7 N -0.66 -0.50 -1.00 2.37 5.08 -1.43 0.13 114.58 118.57 1x37 h GLU 7 Ca -0.06 0.03 0.19 0.00 -1.00 0.00 0.00 59.36 58.52 1x37 h GLU 7 Cb 0.50 0.11 -0.11 0.00 0.50 0.00 0.00 28.75 29.75 1x37 h GLU 7 CO 0.11 -0.33 0.61 0.87 -1.00 0.00 0.00 179.01 179.27 1x37 h LYS 8 N -0.52 0.73 -0.45 2.33 1.57 -1.22 0.75 116.57 119.77 1x37 h LYS 8 Ca 0.06 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.72 1x37 h LYS 8 Cb 0.63 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 1x37 h LYS 8 CO -0.35 0.48 -0.05 -0.07 -0.57 0.00 0.00 179.45 178.89 1x37 h LEU 9 N 0.75 0.81 0.06 2.94 3.38 0.30 0.24 115.31 123.79 1x37 h LEU 9 Ca 0.58 -0.33 0.01 0.00 0.09 0.00 0.00 57.88 58.22 1x37 h LEU 9 Cb 0.93 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 1x37 h LEU 9 CO -0.38 0.95 -0.07 -0.08 0.09 0.00 0.00 178.44 178.95 1x37 h GLU 10 N 0.66 -0.15 0.11 1.13 4.81 0.15 -1.31 114.58 119.98 1x37 h GLU 10 Ca 0.12 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.36 1x37 h GLU 10 Cb 0.57 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.98 1x37 h GLU 10 CO 0.03 -0.10 -0.05 -0.84 -0.73 0.00 0.00 179.01 177.32 1x37 h ILE 11 N -0.16 0.00 -1.10 2.32 3.07 -1.22 -1.47 117.51 118.95 1x37 h ILE 11 Ca 0.01 -0.32 0.42 0.00 1.55 0.00 0.00 64.86 66.52 1x37 h ILE 11 Cb 0.16 0.00 -0.16 0.00 -0.27 0.00 0.00 36.82 36.56 1x37 h ILE 11 CO -0.04 0.00 0.65 0.52 -1.05 0.00 0.00 178.15 178.23 1x37 n VAL 12 N -3.29 -0.34 0.12 0.16 0.31 0.85 0.19 118.33 116.33 1x37 n VAL 12 Ca -0.02 1.86 -0.24 0.00 -0.01 0.00 0.00 64.34 65.93 1x37 n VAL 12 Cb 0.06 -3.03 -0.15 0.00 -0.91 0.00 0.00 33.84 29.81 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 0.48 0.18 5.55 3.11 -1.30 -3.27 116.57 121.31 1x37 h LYS 13 Ca 0.82 -0.81 -0.26 0.00 -2.81 0.00 0.00 60.65 57.59 1x37 h LYS 13 Cb 2.37 0.30 0.02 0.00 -1.00 0.00 0.00 32.23 33.93 1x37 h LYS 13 CO -0.62 1.39 -1.22 -0.44 -2.81 0.00 0.00 179.45 175.75 1x37 h ASP 14 N 0.13 0.59 -0.41 4.20 3.32 0.86 -3.37 116.42 121.74 1x37 h ASP 14 Ca -0.28 -0.92 -0.12 0.00 0.02 0.00 0.00 57.03 55.72 1x37 h ASP 14 Cb 2.14 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 41.48 1x37 h ASP 14 CO 0.24 1.57 -0.21 1.12 -1.72 0.00 0.00 179.24 180.24 1x37 h HIS 15 N -0.16 1.04 -1.11 4.55 2.07 -0.49 -3.24 115.15 117.83 1x37 h HIS 15 Ca -0.23 -0.25 0.42 0.00 -2.85 0.00 0.00 60.37 57.47 1x37 h HIS 15 Cb 1.87 -0.25 -0.15 0.00 2.57 0.00 0.00 27.41 31.45 1x37 h HIS 15 CO 0.16 1.04 0.66 1.47 -3.07 0.00 0.00 177.93 178.18 1x37 n LEU 16 N -4.11 0.26 0.04 6.12 -0.00 -1.23 -0.54 117.00 117.53 1x37 n LEU 16 Ca 0.00 1.43 -0.02 0.00 -0.00 0.00 0.00 56.01 57.43 1x37 n LEU 16 Cb 0.45 -0.70 -0.01 0.00 -0.00 0.00 0.00 43.42 43.16 1x37 n LEU 16 CO 0.46 -1.58 0.23 -0.07 -0.00 0.00 0.00 177.39 176.43 1x37 h LEU 17 N 0.00 -0.10 -0.23 1.47 3.38 -1.80 -3.25 115.31 114.79 1x37 h LEU 17 Ca 0.81 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.77 1x37 h LEU 17 Cb 2.37 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 43.14 1x37 h LEU 17 CO -0.58 -0.02 0.09 1.55 0.09 0.00 0.00 178.44 179.56 1x37 h PRO 18 N -0.21 0.34 -0.62 1.13 0.13 -1.60 -0.38 132.00 130.79 1x37 h PRO 18 Ca -0.01 -0.07 0.13 0.00 -0.87 0.00 0.00 66.00 65.18 1x37 h PRO 18 Cb 0.09 -0.05 -0.12 0.00 0.13 0.00 0.00 31.00 31.05 1x37 h PRO 18 CO 0.02 0.40 -0.13 -0.22 -0.23 0.00 0.00 178.00 177.84 1x37 h LYS 19 N 0.21 0.02 0.00 0.86 1.63 -1.00 -0.67 116.57 117.61 1x37 h LYS 19 Ca 0.08 -0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.86 1x37 h LYS 19 Cb 0.19 -0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.82 1x37 h LYS 19 CO -0.01 0.01 -0.06 1.96 -3.45 0.00 0.00 179.45 177.90 1x37 h GLN 20 N 0.02 0.00 -1.02 1.90 4.20 -1.58 -3.32 115.11 115.30 1x37 h GLN 20 Ca 0.30 0.00 0.25 0.00 0.06 0.00 0.00 58.65 59.26 1x37 h GLN 20 Cb 0.47 0.00 -0.11 0.00 0.30 0.00 0.00 27.48 28.14 1x37 h GLN 20 CO -0.62 0.99 0.64 0.97 -0.67 0.00 0.00 178.83 180.13 1x37 h ILE 21 N -1.00 0.55 0.00 2.54 6.09 -0.84 0.13 117.51 124.98 1x37 h ILE 21 Ca -0.02 -0.17 0.00 0.00 -1.37 0.00 0.00 64.86 63.30 1x37 h ILE 21 Cb 1.00 0.01 0.00 0.00 0.47 0.00 0.00 36.82 38.30 1x37 h ILE 21 CO -0.01 0.09 0.00 1.17 -3.07 0.00 0.00 178.15 176.33 1x37 n LYS 22 N -4.73 0.00 -0.36 2.19 4.81 -0.28 0.55 118.16 120.33 1x37 n LYS 22 Ca 0.26 0.00 0.30 0.00 -0.87 0.00 0.00 58.31 58.00 1x37 n LYS 22 Cb 0.80 -0.80 0.56 0.00 0.02 0.00 0.00 35.03 35.62 1x37 n LYS 22 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1x37 h GLU 23 N 0.00 0.15 0.22 1.64 4.39 -1.65 0.92 114.58 120.25 1x37 h GLU 23 Ca 0.00 -0.01 -0.32 0.00 0.34 0.00 0.00 59.36 59.37 1x37 h GLU 23 Cb 0.00 -0.03 0.03 0.00 -0.10 0.00 0.00 28.75 28.64 1x37 h GLU 23 CO 0.00 0.10 -1.46 0.45 -1.16 0.00 0.00 179.01 176.94 1x37 h HIS 24 N 0.16 0.83 -1.19 4.33 3.86 -0.77 -3.28 115.15 119.09 1x37 h HIS 24 Ca 0.79 -0.61 0.43 0.00 -1.16 0.00 0.00 60.37 59.82 1x37 h HIS 24 Cb 2.12 -0.03 -0.15 0.00 1.06 0.00 0.00 27.41 30.40 1x37 h HIS 24 CO -0.01 1.51 0.72 0.78 0.86 0.00 0.00 177.93 181.79 1x37 h GLY 25 N 0.60 1.75 -0.93 2.45 0.00 2.19 0.24 103.07 109.36 1x37 h GLY 25 Ca -0.24 -0.13 0.38 0.00 0.00 0.00 0.00 47.33 47.34 1x37 h GLY 25 CO 0.25 -0.57 0.52 1.04 0.00 0.00 0.00 176.54 177.77 1x37 n LEU 26 N -4.94 0.30 -5.00 3.11 4.77 -1.04 -4.24 117.00 109.96 1x37 n LEU 26 Ca 0.38 1.45 -0.18 0.00 -0.03 0.00 0.00 56.01 57.63 1x37 n LEU 26 Cb 1.37 -0.71 0.00 0.00 -2.33 0.00 0.00 43.42 41.75 1x37 n LEU 26 CO 0.12 -1.62 0.11 -0.54 -1.33 0.00 0.00 177.39 174.13 1x37 s LYS 27 N -5.32 2.96 0.79 3.23 1.02 0.83 -5.05 119.74 118.21 1x37 s LYS 27 Ca -0.08 -1.12 -0.16 0.00 0.02 0.00 0.00 55.97 54.63 1x37 s LYS 27 Cb 0.30 -2.78 -0.07 0.00 -0.52 0.00 0.00 37.83 34.75 1x37 s LYS 27 CO 0.70 -0.12 0.05 0.36 -0.92 0.00 0.00 175.35 175.42 1x37 n LYS 28 N -1.76 0.07 -1.51 1.68 2.85 -1.26 -4.43 118.16 113.79 1x37 n LYS 28 Ca 0.04 0.05 -0.27 0.00 -1.05 0.00 0.00 58.31 57.08 1x37 n LYS 28 Cb 0.59 -1.48 -0.16 0.00 -0.65 0.00 0.00 35.03 33.32 1x37 n LYS 28 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 1x37 n SER 29 N 0.97 -0.09 -2.93 -5.58 3.41 -1.26 -4.74 113.62 103.40 1x37 n SER 29 Ca 0.06 -0.49 -0.31 0.00 -0.26 0.00 0.00 58.87 57.87 1x37 n SER 29 Cb 0.52 -0.92 -0.01 0.00 -0.26 0.00 0.00 64.21 63.53 1x37 n SER 29 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1x37 n ASN 30 N 10.04 5.42 -3.48 4.04 2.85 -1.26 -4.24 115.26 128.62 1x37 n ASN 30 Ca 0.61 -3.72 0.01 0.00 -0.11 0.00 0.00 54.58 51.37 1x37 n ASN 30 Cb 0.20 -0.70 -0.03 0.00 1.24 0.00 0.00 39.78 40.49 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 -3.72 -1.16 -0.36 1.20 2.96 -1.26 -4.21 118.68 112.13 1x37 s LEU 31 Ca 0.47 1.30 0.01 0.00 -0.22 0.00 0.00 54.13 55.69 1x37 s LEU 31 Cb 0.32 2.20 0.15 0.00 0.50 0.00 0.00 46.19 49.36 1x37 s LEU 31 CO -0.19 -0.22 0.28 -1.58 -1.32 0.00 0.00 176.35 173.32 1x37 s GLN 32 N 2.86 0.58 0.08 1.98 2.00 -0.33 -4.81 119.66 122.03 1x37 s GLN 32 Ca 0.02 -1.14 0.03 0.00 -2.00 0.00 0.00 55.36 52.27 1x37 s GLN 32 Cb -0.12 -1.06 -0.03 0.00 0.80 0.00 0.00 33.01 32.59 1x37 s GLN 32 CO -0.19 -1.20 -0.08 -0.48 -0.50 0.00 0.00 175.29 172.83 1x37 s LEU 33 N 1.21 2.40 0.17 3.68 0.05 -1.26 -0.24 118.68 124.70 1x37 s LEU 33 Ca 0.18 -0.81 0.04 0.00 0.05 0.00 0.00 54.13 53.58 1x37 s LEU 33 Cb -0.20 -0.19 -0.03 0.00 -2.05 0.00 0.00 46.19 43.71 1x37 s LEU 33 CO -0.01 -0.31 0.26 -0.13 -0.55 0.00 0.00 176.35 175.61 1x37 s ARG 34 N -2.83 3.31 0.32 1.48 0.52 -1.19 -4.98 118.95 115.58 1x37 s ARG 34 Ca 0.04 -0.70 0.08 0.00 -0.52 0.00 0.00 55.73 54.63 1x37 s ARG 34 Cb -0.02 -2.87 0.82 0.00 0.52 0.00 0.00 34.95 33.40 1x37 s ARG 34 CO -0.01 0.49 1.76 0.38 0.02 0.00 0.00 175.30 177.94 1x37 h ASP 35 N 2.00 0.72 -0.81 0.23 2.03 -1.94 0.10 116.42 118.75 1x37 h ASP 35 Ca -0.49 0.11 0.18 0.00 -0.73 0.00 0.00 57.03 56.10 1x37 h ASP 35 Cb 1.20 -0.02 -0.11 0.00 -0.83 0.00 0.00 39.33 39.58 1x37 h ASP 35 CO 0.66 0.21 0.30 -0.61 -1.03 0.00 0.00 179.24 178.76 1x37 h GLN 36 N 0.68 0.36 0.00 4.15 4.15 -1.94 -1.47 115.11 121.04 1x37 h GLN 36 Ca 0.60 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 60.00 1x37 h GLN 36 Cb 1.04 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.65 1x37 h GLN 36 CO -0.40 0.24 0.00 0.00 -1.93 0.00 0.00 178.83 176.74 1x37 n ALA 37 N -2.56 -0.00 -0.31 3.38 0.00 0.36 -0.84 120.51 120.54 1x37 n ALA 37 Ca 0.17 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.76 1x37 n ALA 37 Cb 0.52 0.15 0.31 0.00 0.00 0.00 0.00 19.45 20.44 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 0.26 -0.45 0.00 2.04 -1.65 0.15 117.51 117.87 1x37 h ILE 38 Ca 0.00 -0.06 0.09 0.00 1.00 0.00 0.00 64.86 65.89 1x37 h ILE 38 Cb 0.00 0.07 -0.10 0.00 -0.74 0.00 0.00 36.82 36.05 1x37 h ILE 38 CO 0.00 0.03 -0.27 -0.07 0.00 0.00 0.00 178.15 177.84 1x37 h LEU 39 N 0.18 -0.92 -0.76 1.44 3.38 -0.64 -0.15 115.31 117.84 1x37 h LEU 39 Ca 0.58 0.19 -0.06 0.00 0.09 0.00 0.00 57.88 58.67 1x37 h LEU 39 Cb 1.21 0.46 -0.03 0.00 0.09 0.00 0.00 40.66 42.39 1x37 h LEU 39 CO -0.69 -0.28 0.21 0.44 0.09 0.00 0.00 178.44 178.20 1x37 h ASP 40 N -0.18 1.08 0.00 -0.43 5.19 0.13 -2.70 116.42 119.50 1x37 h ASP 40 Ca 0.20 -0.21 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 1x37 h ASP 40 Cb 0.50 -0.28 0.00 0.00 0.18 0.00 0.00 39.33 39.73 1x37 h ASP 40 CO -0.55 1.01 0.00 -0.38 -3.12 0.00 0.00 179.24 176.20 1x37 n ILE 41 N -4.24 0.00 -0.27 0.35 5.41 -0.12 -0.11 119.36 120.38 1x37 n ILE 41 Ca 0.06 1.21 0.09 0.00 1.00 0.00 0.00 62.75 65.10 1x37 n ILE 41 Cb 0.24 -2.02 0.22 0.00 -0.71 0.00 0.00 39.64 37.37 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 0.39 -0.88 1.39 3.07 -1.52 0.14 117.51 120.10 1x37 h ILE 42 Ca 0.00 -0.07 -0.01 0.00 1.55 0.00 0.00 64.86 66.33 1x37 h ILE 42 Cb 0.00 0.16 -0.04 0.00 -0.27 0.00 0.00 36.82 36.67 1x37 h ILE 42 CO 0.00 0.04 0.53 -0.09 -1.05 0.00 0.00 178.15 177.58 1x37 h ARG 43 N 0.21 1.19 -0.81 0.16 1.12 -1.31 2.13 114.38 117.07 1x37 h ARG 43 Ca 0.47 -0.11 -0.03 0.00 -1.11 0.00 0.00 59.98 59.20 1x37 h ARG 43 Cb 0.88 -0.25 -0.04 0.00 -0.01 0.00 0.00 29.97 30.55 1x37 h ARG 43 CO -0.60 0.84 0.38 1.88 -3.11 0.00 0.00 179.97 179.35 1x37 h TYR 44 N 1.21 1.19 0.00 2.20 -1.99 0.23 -3.39 116.97 116.42 1x37 h TYR 44 Ca 0.32 -0.06 -0.20 0.00 2.00 0.00 0.00 58.73 60.78 1x37 h TYR 44 Cb -0.05 -0.37 -0.14 0.00 2.00 0.00 0.00 36.73 38.18 1x37 h TYR 44 CO 0.01 0.87 -0.39 2.48 -0.00 0.00 0.00 178.16 181.12 1x37 n TYR 45 N -4.30 -2.69 0.20 4.88 4.11 -0.87 -3.06 117.16 115.43 1x37 n TYR 45 Ca 0.08 -1.71 -0.15 0.00 -0.00 0.00 0.00 57.90 56.13 1x37 n TYR 45 Cb 0.15 1.52 -0.08 0.00 -0.00 0.00 0.00 39.34 40.93 1x37 n TYR 45 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1x37 h THR 46 N 2.64 0.67 -6.91 -3.48 1.03 0.33 -3.45 112.91 103.74 1x37 h THR 46 Ca -0.15 0.00 -0.33 0.00 -0.01 0.00 0.00 66.41 65.91 1x37 h THR 46 Cb 1.09 0.67 -0.04 0.00 -1.07 0.00 0.00 68.15 68.80 1x37 h THR 46 CO 0.18 0.00 -0.55 -2.11 -0.01 0.00 0.00 175.52 173.03 1x37 n ARG 47 N -5.28 -0.69 -3.71 0.00 1.85 -1.26 -4.90 116.66 102.67 1x37 n ARG 47 Ca -0.10 -0.14 -0.12 0.00 -1.00 0.00 0.00 57.85 56.49 1x37 n ARG 47 Cb 0.20 -1.18 -0.13 0.00 -1.05 0.00 0.00 32.46 30.30 1x37 n ARG 47 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 1x37 s GLU 48 N -6.11 0.23 -0.91 2.89 2.02 -1.26 -5.05 118.70 110.51 1x37 s GLU 48 Ca 0.20 0.61 -0.02 0.00 0.02 0.00 0.00 54.97 55.78 1x37 s GLU 48 Cb -0.11 -0.09 0.34 0.00 0.10 0.00 0.00 34.13 34.37 1x37 s GLU 48 CO 0.54 -0.18 1.95 0.00 0.02 0.00 0.00 175.26 177.59 1x37 n ALA 49 N 4.38 6.35 0.00 5.21 0.00 -1.26 -4.91 120.51 130.27 1x37 n ALA 49 Ca -0.23 -4.31 0.00 0.00 0.00 0.00 0.00 53.44 48.91 1x37 n ALA 49 Cb 0.53 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 17.92 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 -0.36 2.27 0.12 0.00 0.00 -1.26 -5.04 105.19 100.92 1x37 n GLY 50 Ca 0.51 -0.40 -0.20 0.00 0.00 0.00 0.00 46.02 45.93 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 2.35 1.50 -0.88 1.61 -1.51 -1.99 -3.18 116.25 114.15 1x37 h VAL 51 Ca 0.00 -2.55 0.08 0.00 -1.23 0.00 0.00 66.70 63.00 1x37 h VAL 51 Cb 0.00 3.20 -0.11 0.00 -2.13 0.00 0.00 31.29 32.25 1x37 h VAL 51 CO 0.00 0.72 -0.58 0.03 -1.23 0.00 0.00 177.57 176.51 1x37 h ARG 52 N -0.34 -0.08 -0.69 5.19 2.47 -1.99 0.62 114.38 119.55 1x37 h ARG 52 Ca -0.15 0.01 0.07 0.00 -1.26 0.00 0.00 59.98 58.64 1x37 h ARG 52 Cb 1.67 0.02 -0.06 0.00 -1.65 0.00 0.00 29.97 29.95 1x37 h ARG 52 CO 0.16 -0.05 0.38 0.77 0.56 0.00 0.00 179.97 181.78 1x37 h SER 53 N -0.08 0.55 0.01 7.04 0.02 -1.98 -1.76 113.55 117.35 1x37 h SER 53 Ca 0.14 0.04 0.02 0.00 -0.84 0.00 0.00 61.79 61.15 1x37 h SER 53 Cb 0.45 -0.07 -0.05 0.00 0.14 0.00 0.00 62.40 62.87 1x37 h SER 53 CO -0.87 0.35 -0.51 0.25 -1.14 0.00 0.00 176.83 174.90 1x37 h LEU 54 N 0.69 -1.58 -1.11 5.07 5.85 0.14 0.20 115.31 124.56 1x37 h LEU 54 Ca 0.32 0.18 0.24 0.00 0.84 0.00 0.00 57.88 59.45 1x37 h LEU 54 Cb 0.23 0.60 -0.11 0.00 0.37 0.00 0.00 40.66 41.74 1x37 h LEU 54 CO -0.20 -0.50 0.62 -0.33 -0.34 0.00 0.00 178.44 177.68 1x37 h GLU 55 N -0.65 0.55 -0.81 1.25 5.08 -0.28 0.29 114.58 120.00 1x37 h GLU 55 Ca 0.01 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 1x37 h GLU 55 Cb 0.69 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.78 1x37 h GLU 55 CO -0.34 0.36 0.33 -0.09 -1.00 0.00 0.00 179.01 178.28 1x37 h ARG 56 N 0.57 1.20 -0.41 2.33 1.12 0.16 0.85 114.38 120.21 1x37 h ARG 56 Ca 0.62 -0.21 -0.05 0.00 -1.11 0.00 0.00 59.98 59.23 1x37 h ARG 56 Cb 1.23 -0.20 -0.02 0.00 -0.01 0.00 0.00 29.97 30.98 1x37 h ARG 56 CO -0.40 0.96 0.06 1.96 -3.11 0.00 0.00 179.97 179.44 1x37 h GLN 57 N 1.17 0.67 -0.10 0.20 7.50 0.14 0.16 115.11 124.85 1x37 h GLN 57 Ca 0.27 -0.18 -0.01 0.00 0.50 0.00 0.00 58.65 59.23 1x37 h GLN 57 Cb 0.20 -0.08 -0.00 0.00 0.05 0.00 0.00 27.48 27.65 1x37 h GLN 57 CO -0.02 0.72 0.02 -0.07 -1.50 0.00 0.00 178.83 177.98 1x37 h LEU 58 N 0.52 0.16 -1.19 1.46 3.38 -1.00 -1.97 115.31 116.67 1x37 h LEU 58 Ca 0.12 -0.23 0.03 0.00 0.09 0.00 0.00 57.88 57.89 1x37 h LEU 58 Cb 0.38 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.04 1x37 h LEU 58 CO 0.01 0.35 0.56 0.00 0.09 0.00 0.00 178.44 179.45 1x37 h ALA 59 N 0.81 1.48 0.13 1.53 0.00 -0.73 -1.89 119.26 120.60 1x37 h ALA 59 Ca 0.03 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1x37 h ALA 59 Cb 0.26 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1x37 h ALA 59 CO 0.00 0.44 -0.17 0.00 0.00 0.00 0.00 179.25 179.52 1x37 h ALA 60 N 1.51 -0.32 -0.03 0.00 0.00 -0.16 -0.86 119.26 119.39 1x37 h ALA 60 Ca 0.33 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 1x37 h ALA 60 Cb 0.02 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1x37 h ALA 60 CO -0.10 -0.71 0.02 0.97 0.00 0.00 0.00 179.25 179.43 1x37 h ILE 61 N -0.36 1.10 0.00 0.00 2.10 -0.94 0.25 117.51 119.66 1x37 h ILE 61 Ca 0.01 -0.31 0.00 0.00 1.08 0.00 0.00 64.86 65.65 1x37 h ILE 61 Cb 0.36 1.25 0.00 0.00 -1.09 0.00 0.00 36.82 37.34 1x37 h ILE 61 CO -0.07 0.08 0.00 0.00 -1.08 0.00 0.00 178.15 177.08 1x37 h ARG 63 N 0.00 0.27 -1.08 0.00 2.43 -1.24 0.48 114.38 115.25 1x37 h ARG 63 Ca 0.00 -0.02 0.40 0.00 -0.81 0.00 0.00 59.98 59.55 1x37 h ARG 63 Cb 0.00 -0.06 -0.16 0.00 -0.42 0.00 0.00 29.97 29.33 1x37 h ARG 63 CO 0.00 0.18 0.62 -0.22 -1.51 0.00 0.00 179.97 179.04 1x37 h LYS 64 N 0.28 0.11 -0.11 0.20 3.64 -0.32 3.68 116.57 124.05 1x37 h LYS 64 Ca 0.30 -0.01 -0.21 0.00 -1.27 0.00 0.00 60.65 59.46 1x37 h LYS 64 Cb 0.41 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1x37 h LYS 64 CO -0.36 0.07 -0.78 0.00 -2.27 0.00 0.00 179.45 176.11 1x37 h ALA 65 N 1.86 0.41 -0.62 5.00 0.00 0.98 -3.18 119.26 123.72 1x37 h ALA 65 Ca 0.81 -0.61 0.02 0.00 0.00 0.00 0.00 54.91 55.13 1x37 h ALA 65 Cb 2.16 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 19.88 1x37 h ALA 65 CO -0.64 0.72 0.39 0.00 0.00 0.00 0.00 179.25 179.72 1x37 h ALA 66 N 0.70 0.80 -1.00 0.00 0.00 0.81 -1.45 119.26 119.11 1x37 h ALA 66 Ca -0.05 -0.03 0.20 0.00 0.00 0.00 0.00 54.91 55.03 1x37 h ALA 66 Cb 1.39 -0.21 -0.11 0.00 0.00 0.00 0.00 17.79 18.87 1x37 h ALA 66 CO 0.15 0.15 0.61 -0.22 0.00 0.00 0.00 179.25 179.95 1x37 h LYS 67 N 0.78 0.70 0.00 0.00 3.11 -0.64 1.00 116.57 121.53 1x37 h LYS 67 Ca 0.24 -0.04 0.00 0.00 -2.81 0.00 0.00 60.65 58.04 1x37 h LYS 67 Cb -0.02 -0.16 0.00 0.00 -1.00 0.00 0.00 32.23 31.06 1x37 h LYS 67 CO -0.09 0.46 0.00 0.00 -2.81 0.00 0.00 179.45 177.02 1x37 n ALA 68 N -2.34 1.95 0.21 5.00 0.00 -0.55 -3.53 120.51 121.25 1x37 n ALA 68 Ca 0.24 -0.02 0.16 0.00 0.00 0.00 0.00 53.44 53.81 1x37 n ALA 68 Cb 0.60 -1.06 0.64 0.00 0.00 0.00 0.00 19.45 19.64 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 0.11 0.15 0.00 6.09 0.10 0.25 117.51 124.22 1x37 h ILE 69 Ca 0.00 0.00 -0.32 0.00 -1.37 0.00 0.00 64.86 63.17 1x37 h ILE 69 Cb 0.00 0.50 0.00 0.00 0.47 0.00 0.00 36.82 37.79 1x37 h ILE 69 CO 0.00 0.00 -1.61 0.58 -3.07 0.00 0.00 178.15 174.05 1x37 h VAL 70 N 0.00 0.96 -4.56 2.19 2.07 -1.80 -3.43 116.25 111.68 1x37 h VAL 70 Ca 0.10 -2.45 -0.32 0.00 0.82 0.00 0.00 66.70 64.85 1x37 h VAL 70 Cb 1.20 2.73 0.07 0.00 -1.52 0.00 0.00 31.29 33.77 1x37 h VAL 70 CO -0.00 0.79 0.12 0.00 0.02 0.00 0.00 177.57 178.50 1x37 n ALA 71 N -2.91 -0.08 -0.42 1.67 0.00 0.88 -4.94 120.51 114.71 1x37 n ALA 71 Ca -0.25 -1.33 0.00 0.00 0.00 0.00 0.00 53.44 51.86 1x37 n ALA 71 Cb 1.00 0.17 0.00 0.00 0.00 0.00 0.00 19.45 20.62 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 -2.40 0.00 -2.08 0.00 2.13 -1.26 -4.61 120.64 112.41 1x37 n GLU 72 Ca 0.11 0.00 -0.32 0.00 0.66 0.00 0.00 57.16 57.62 1x37 n GLU 72 Cb 0.41 0.00 -0.00 0.00 0.27 0.00 0.00 31.44 32.11 1x37 n GLU 72 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 1x37 s GLU 73 N 0.00 3.63 -0.95 5.31 2.56 -1.26 -5.00 118.70 123.00 1x37 s GLU 73 Ca 0.00 0.93 -0.02 0.00 0.00 0.00 0.00 54.97 55.88 1x37 s GLU 73 Cb 0.00 -2.09 0.27 0.00 2.00 0.00 0.00 34.13 34.31 1x37 s GLU 73 CO 0.00 -0.54 1.09 2.89 -0.56 0.00 0.00 175.26 178.15 1x37 n ARG 74 N -2.19 3.46 -1.33 4.30 1.85 -1.26 -4.86 116.66 116.62 1x37 n ARG 74 Ca 0.07 -4.55 0.00 0.00 -1.00 0.00 0.00 57.85 52.37 1x37 n ARG 74 Cb 0.54 -2.44 0.00 0.00 -1.05 0.00 0.00 32.46 29.51 1x37 n ARG 74 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1x37 n LYS 75 N 1.67 0.00 -1.75 2.89 5.02 -1.26 -5.10 118.16 119.63 1x37 n LYS 75 Ca 0.25 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 56.12 1x37 n LYS 75 Cb 0.37 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.35 1x37 n LYS 75 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 1x37 s ARG 76 N -1.54 4.15 -0.51 1.97 3.03 -1.26 -4.82 118.95 119.97 1x37 s ARG 76 Ca 0.00 2.51 -0.27 0.00 2.03 0.00 0.00 55.73 60.01 1x37 s ARG 76 Cb 0.00 -4.12 -0.04 0.00 -1.03 0.00 0.00 34.95 29.75 1x37 s ARG 76 CO 0.00 -0.93 2.11 0.42 -1.13 0.00 0.00 175.30 175.77 1x37 s ILE 77 N 4.38 3.20 0.06 4.99 -1.09 -1.26 -4.73 121.20 126.74 1x37 s ILE 77 Ca 0.85 0.13 -0.29 0.00 -2.23 0.00 0.00 60.65 59.12 1x37 s ILE 77 Cb -0.40 -3.46 -0.05 0.00 -1.58 0.00 0.00 42.46 36.97 1x37 s ILE 77 CO 0.39 -0.42 0.92 -0.89 -1.23 0.00 0.00 174.94 173.71 1x37 s THR 78 N 10.14 4.68 -0.21 2.92 2.01 -1.26 -1.18 115.64 132.74 1x37 s THR 78 Ca 0.84 1.95 -0.04 0.00 0.31 0.00 0.00 61.69 64.75 1x37 s THR 78 Cb -0.17 -4.27 0.07 0.00 0.01 0.00 0.00 72.50 68.14 1x37 s THR 78 CO 0.25 0.28 0.09 -0.69 -0.69 0.00 0.00 174.62 173.86 1x37 s VAL 79 N 0.32 0.07 0.00 3.82 1.01 0.67 -4.93 120.40 121.36 1x37 s VAL 79 Ca 0.46 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 62.02 1x37 s VAL 79 Cb -0.22 -0.80 0.00 0.00 0.00 0.00 0.00 36.38 35.36 1x37 s VAL 79 CO 0.27 -0.39 0.00 0.35 0.00 0.00 0.00 175.10 175.33 1x37 n THR 80 N 5.21 0.00 -2.37 3.92 -2.24 -1.26 -3.20 114.28 114.34 1x37 n THR 80 Ca -0.07 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.70 1x37 n THR 80 Cb 0.47 -0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.47 1x37 n THR 80 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1x37 n GLU 81 N -0.05 0.40 0.00 -0.78 0.28 -1.26 -2.99 120.64 116.24 1x37 n GLU 81 Ca 0.00 -1.70 0.00 0.00 -0.16 0.00 0.00 57.16 55.30 1x37 n GLU 81 Cb 0.00 0.05 0.00 0.00 1.43 0.00 0.00 31.44 32.92 1x37 n GLU 81 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1x37 n LYS 82 N -0.10 0.00 -0.35 3.44 4.81 -1.26 -4.88 118.16 119.82 1x37 n LYS 82 Ca -0.10 0.00 0.11 0.00 -0.87 0.00 0.00 58.31 57.45 1x37 n LYS 82 Cb 0.90 -0.08 0.30 0.00 0.02 0.00 0.00 35.03 36.17 1x37 n LYS 82 CO 0.00 0.00 0.00 -0.97 1.17 0.00 0.00 177.40 177.60 1x37 h ASN 83 N 0.00 0.83 -0.88 3.14 -1.24 -1.91 0.18 115.58 115.70 1x37 h ASN 83 Ca 0.00 0.07 0.16 0.00 0.71 0.00 0.00 56.30 57.24 1x37 h ASN 83 Cb 0.00 -0.08 -0.10 0.00 0.73 0.00 0.00 38.32 38.87 1x37 h ASN 83 CO 0.00 0.36 0.46 0.17 -1.29 0.00 0.00 177.43 177.13 1x37 h LEU 84 N 0.84 0.55 -1.01 0.34 8.10 -1.92 0.36 115.31 122.58 1x37 h LEU 84 Ca 0.54 0.10 0.09 0.00 0.11 0.00 0.00 57.88 58.72 1x37 h LEU 84 Cb 0.75 0.01 -0.08 0.00 -0.44 0.00 0.00 40.66 40.90 1x37 h LEU 84 CO -0.33 0.21 0.64 -0.61 -4.11 0.00 0.00 178.44 174.25 1x37 h GLN 85 N 0.63 1.07 -0.62 0.17 4.15 -0.98 0.23 115.11 119.75 1x37 h GLN 85 Ca 0.49 -0.06 -0.08 0.00 0.77 0.00 0.00 58.65 59.77 1x37 h GLN 85 Cb 0.73 -0.24 -0.03 0.00 0.21 0.00 0.00 27.48 28.15 1x37 h GLN 85 CO -0.38 0.71 0.08 -0.44 -1.93 0.00 0.00 178.83 176.87 1x37 h ASP 86 N 1.10 0.99 -0.41 -0.69 3.32 -0.23 1.56 116.42 122.06 1x37 h ASP 86 Ca 0.46 -0.24 -0.13 0.00 0.02 0.00 0.00 57.03 57.14 1x37 h ASP 86 Cb 0.31 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 1x37 h ASP 86 CO -0.21 0.99 -0.27 -0.26 -1.72 0.00 0.00 179.24 177.78 1x37 h PHE 87 N 0.96 1.05 0.16 4.55 0.04 -0.21 -3.32 116.94 120.17 1x37 h PHE 87 Ca 0.19 -0.28 -0.01 0.00 2.80 0.00 0.00 57.97 60.67 1x37 h PHE 87 Cb 0.44 -0.24 0.00 0.00 2.20 0.00 0.00 35.95 38.36 1x37 h PHE 87 CO 0.03 1.08 -0.08 0.82 -0.60 0.00 0.00 178.31 179.57 1x37 h ILE 88 N 0.72 0.00 0.00 -0.55 2.04 -0.30 -3.50 117.51 115.92 1x37 h ILE 88 Ca 0.08 -0.81 0.00 0.00 1.00 0.00 0.00 64.86 65.13 1x37 h ILE 88 Cb 0.84 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.92 1x37 h ILE 88 CO 0.07 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.83 1x37 n GLY 89 N 1.24 2.09 3.38 5.37 0.00 0.53 -5.07 105.19 112.73 1x37 n GLY 89 Ca -0.03 -0.48 -0.10 0.00 0.00 0.00 0.00 46.02 45.42 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 1.23 0.42 1.61 2.20 -1.26 -4.74 119.74 119.20 1x37 s LYS 90 Ca 0.00 -1.19 0.04 0.00 -0.36 0.00 0.00 55.97 54.45 1x37 s LYS 90 Cb 0.00 0.39 0.00 0.00 -1.51 0.00 0.00 37.83 36.71 1x37 s LYS 90 CO 0.00 -0.46 0.60 -0.98 -0.36 0.00 0.00 175.35 174.14 1x37 s ARG 91 N -3.98 2.98 -0.02 4.03 1.70 -1.26 -5.07 118.95 117.33 1x37 s ARG 91 Ca 0.19 -0.83 -0.02 0.00 -0.47 0.00 0.00 55.73 54.60 1x37 s ARG 91 Cb 0.03 -2.68 -0.01 0.00 -0.57 0.00 0.00 34.95 31.73 1x37 s ARG 91 CO 0.02 -0.21 -0.03 -0.89 -1.08 0.00 0.00 175.30 173.11 1x37 n ILE 92 N -1.92 0.14 -1.81 4.99 5.41 -1.26 -4.79 119.36 120.12 1x37 n ILE 92 Ca 0.03 0.45 -0.26 0.00 1.00 0.00 0.00 62.75 63.96 1x37 n ILE 92 Cb 0.58 -1.56 -0.05 0.00 -0.71 0.00 0.00 39.64 37.91 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 -1.18 1.44 -1.05 1.39 0.08 -1.17 -4.84 117.98 112.65 1x37 s PHE 93 Ca -0.03 1.25 -0.04 0.00 0.12 0.00 0.00 56.93 58.24 1x37 s PHE 93 Cb 0.00 -3.78 0.30 0.00 -0.57 0.00 0.00 43.02 38.97 1x37 s PHE 93 CO 0.04 -1.93 1.39 2.89 -0.10 0.00 0.00 175.22 177.51 1x37 n ARG 94 N 8.93 4.24 0.00 0.44 1.85 -1.26 -4.94 116.66 125.92 1x37 n ARG 94 Ca 0.38 -4.56 0.13 0.00 -1.00 0.00 0.00 57.85 52.80 1x37 n ARG 94 Cb 0.48 -2.50 0.75 0.00 -1.05 0.00 0.00 32.46 30.15 1x37 n ARG 94 CO 0.00 0.00 0.00 0.98 -0.01 0.00 0.00 177.63 178.60