#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 0.79 3.80 0.00 0.00 -1.26 -5.14 105.19 103.39 1x37 n GLY 2 Ca 0.00 -0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 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 0.25 3.05 0.45 1.61 -0.85 -1.26 -5.06 117.35 115.54 1x37 s TYR 3 Ca 0.22 1.54 0.01 0.00 -0.52 0.00 0.00 57.07 58.32 1x37 s TYR 3 Cb 0.32 -3.01 -0.00 0.00 0.38 0.00 0.00 41.96 39.65 1x37 s TYR 3 CO -0.06 -0.85 0.03 0.25 -1.52 0.00 0.00 175.55 173.40 1x37 n THR 4 N -1.39 0.00 -0.17 -3.49 -2.24 -1.26 -4.95 114.28 100.78 1x37 n THR 4 Ca 0.09 -2.24 -0.03 0.00 -2.27 0.00 0.00 64.05 59.60 1x37 n THR 4 Cb 0.53 0.53 0.04 0.00 -2.10 0.00 0.00 70.33 69.33 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 0.05 -0.78 3.07 -1.99 -1.10 114.58 113.81 1x37 h GLU 5 Ca -0.37 0.00 0.03 0.00 -0.50 0.00 0.00 59.36 58.52 1x37 h GLU 5 Cb 1.18 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 29.04 1x37 h GLU 5 CO 0.61 -0.01 -0.36 0.82 -1.40 0.00 0.00 179.01 178.66 1x37 h ILE 6 N -0.02 0.24 -0.20 3.13 2.04 -1.99 -0.86 117.51 119.84 1x37 h ILE 6 Ca 0.25 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.14 1x37 h ILE 6 Cb 0.40 0.24 -0.07 0.00 -0.74 0.00 0.00 36.82 36.65 1x37 h ILE 6 CO -0.55 0.00 -0.53 -0.33 0.00 0.00 0.00 178.15 176.74 1x37 h GLU 7 N -0.55 -0.50 -0.85 2.37 3.07 -1.65 0.84 114.58 117.32 1x37 h GLU 7 Ca 0.05 0.03 0.22 0.00 -0.50 0.00 0.00 59.36 59.16 1x37 h GLU 7 Cb 0.61 0.11 -0.14 0.00 -0.84 0.00 0.00 28.75 28.49 1x37 h GLU 7 CO -0.26 -0.33 0.14 0.87 -1.40 0.00 0.00 179.01 178.03 1x37 h LYS 8 N -0.52 0.16 0.42 2.33 1.57 -0.81 -0.12 116.57 119.59 1x37 h LYS 8 Ca 0.04 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 1x37 h LYS 8 Cb 0.64 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.92 1x37 h LYS 8 CO -0.47 0.10 -0.20 1.25 -0.57 0.00 0.00 179.45 179.56 1x37 h LEU 9 N 0.16 -0.48 0.04 2.94 6.46 0.54 0.33 115.31 125.29 1x37 h LEU 9 Ca 0.51 0.02 0.01 0.00 -0.12 0.00 0.00 57.88 58.30 1x37 h LEU 9 Cb 0.99 0.13 -0.04 0.00 -0.73 0.00 0.00 40.66 41.00 1x37 h LEU 9 CO -0.68 -0.34 -0.44 -0.08 -0.62 0.00 0.00 178.44 176.28 1x37 h GLU 10 N -0.57 -0.56 0.67 1.25 4.57 0.49 -1.48 114.58 118.94 1x37 h GLU 10 Ca -0.06 0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.13 1x37 h GLU 10 Cb 0.44 0.13 0.01 0.00 -0.16 0.00 0.00 28.75 29.16 1x37 h GLU 10 CO 0.09 -0.38 -0.32 -0.84 -1.18 0.00 0.00 179.01 176.39 1x37 h ILE 11 N -0.58 0.00 -1.09 2.32 3.07 -1.30 -1.80 117.51 118.12 1x37 h ILE 11 Ca 0.00 -0.16 0.42 0.00 1.55 0.00 0.00 64.86 66.68 1x37 h ILE 11 Cb 0.61 0.00 -0.15 0.00 -0.27 0.00 0.00 36.82 37.00 1x37 h ILE 11 CO -0.27 0.00 0.64 0.52 -1.05 0.00 0.00 178.15 177.99 1x37 n VAL 12 N -4.85 -0.33 0.14 0.16 0.31 0.11 0.72 118.33 114.60 1x37 n VAL 12 Ca -0.11 1.82 -0.24 0.00 -0.01 0.00 0.00 64.34 65.80 1x37 n VAL 12 Cb 0.35 -2.97 -0.16 0.00 -0.91 0.00 0.00 33.84 30.15 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 0.51 0.00 5.55 1.63 -1.15 -3.30 116.57 119.81 1x37 h LYS 13 Ca 0.81 -0.87 0.00 0.00 -0.85 0.00 0.00 60.65 59.74 1x37 h LYS 13 Cb 2.35 0.33 0.00 0.00 -0.60 0.00 0.00 32.23 34.30 1x37 h LYS 13 CO -0.61 1.42 -0.02 -0.44 -3.45 0.00 0.00 179.45 176.35 1x37 h ASP 14 N 0.14 0.00 -1.08 4.20 3.32 0.12 -3.37 116.42 119.75 1x37 h ASP 14 Ca -0.26 0.00 0.43 0.00 0.02 0.00 0.00 57.03 57.22 1x37 h ASP 14 Cb 2.16 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 41.54 1x37 h ASP 14 CO 0.26 0.17 0.61 0.00 -1.72 0.00 0.00 179.24 178.57 1x37 n HIS 15 N -2.92 1.06 -0.34 4.55 1.44 0.83 -0.54 115.22 119.31 1x37 n HIS 15 Ca -0.00 1.07 0.22 0.00 -2.01 0.00 0.00 57.72 57.00 1x37 n HIS 15 Cb 0.01 -1.48 0.48 0.00 0.12 0.00 0.00 29.99 29.12 1x37 n HIS 15 CO 0.00 0.00 0.00 1.37 -2.81 0.00 0.00 176.34 174.90 1x37 h LEU 16 N 0.00 0.51 0.00 2.39 8.10 -1.69 0.15 115.31 124.77 1x37 h LEU 16 Ca 0.85 0.11 -0.00 0.00 0.11 0.00 0.00 57.88 58.95 1x37 h LEU 16 Cb 2.36 0.03 -0.00 0.00 -0.44 0.00 0.00 40.66 42.61 1x37 h LEU 16 CO -0.70 0.07 -0.01 -0.07 -4.11 0.00 0.00 178.44 173.61 1x37 h LEU 17 N 0.43 0.00 -0.06 0.17 3.38 -1.03 -3.31 115.31 114.89 1x37 h LEU 17 Ca 0.63 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 58.29 1x37 h LEU 17 Cb 1.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.24 1x37 h LEU 17 CO -0.38 0.64 -0.11 -0.65 0.09 0.00 0.00 178.44 178.03 1x37 h PRO 18 N -1.00 0.19 -0.99 1.13 0.11 -1.60 -1.37 132.00 128.46 1x37 h PRO 18 Ca -0.00 -0.12 0.16 0.00 0.11 0.00 0.00 66.00 66.15 1x37 h PRO 18 Cb 0.28 0.01 -0.10 0.00 0.11 0.00 0.00 31.00 31.30 1x37 h PRO 18 CO -0.00 0.69 0.61 -0.22 -0.21 0.00 0.00 178.00 178.87 1x37 h LYS 19 N -0.29 0.82 0.09 1.05 3.64 -0.93 0.02 116.57 120.97 1x37 h LYS 19 Ca 0.00 -0.05 -0.13 0.00 -1.27 0.00 0.00 60.65 59.20 1x37 h LYS 19 Cb 0.68 -0.18 0.01 0.00 -0.41 0.00 0.00 32.23 32.33 1x37 h LYS 19 CO 0.03 0.54 -0.58 1.96 -2.27 0.00 0.00 179.45 179.12 1x37 h GLN 20 N 0.84 0.20 -0.84 1.90 4.20 -1.64 -3.30 115.11 116.46 1x37 h GLN 20 Ca 0.54 -0.34 0.04 0.00 0.06 0.00 0.00 58.65 58.95 1x37 h GLN 20 Cb 0.74 0.13 -0.05 0.00 0.30 0.00 0.00 27.48 28.59 1x37 h GLN 20 CO -0.34 1.16 0.55 0.97 -0.67 0.00 0.00 178.83 180.51 1x37 h ILE 21 N -0.58 1.13 0.00 2.54 6.09 -0.79 -1.99 117.51 123.91 1x37 h ILE 21 Ca -0.11 -0.35 0.00 0.00 -1.37 0.00 0.00 64.86 63.03 1x37 h ILE 21 Cb 1.44 0.00 0.00 0.00 0.47 0.00 0.00 36.82 38.73 1x37 h ILE 21 CO 0.10 0.19 0.00 0.29 -3.07 0.00 0.00 178.15 175.65 1x37 n LYS 22 N -4.45 0.00 -0.32 2.19 5.02 -0.05 0.45 118.16 121.00 1x37 n LYS 22 Ca 0.11 0.00 0.32 0.00 -2.02 0.00 0.00 58.31 56.72 1x37 n LYS 22 Cb 0.12 -0.73 0.59 0.00 -0.02 0.00 0.00 35.03 34.99 1x37 n LYS 22 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1x37 n GLU 23 N -0.44 -0.06 0.10 1.97 0.00 -1.24 0.14 120.64 121.11 1x37 n GLU 23 Ca 0.00 1.38 -0.22 0.00 0.00 0.00 0.00 57.16 58.33 1x37 n GLU 23 Cb 0.00 -2.48 -0.15 0.00 0.00 0.00 0.00 31.44 28.81 1x37 n GLU 23 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1x37 h HIS 24 N 0.00 0.74 -1.26 4.31 -0.00 -1.42 -3.31 115.15 114.21 1x37 h HIS 24 Ca 0.85 -0.54 0.46 0.00 -0.00 0.00 0.00 60.37 61.13 1x37 h HIS 24 Cb 2.24 -0.03 -0.15 0.00 -0.00 0.00 0.00 27.41 29.47 1x37 h HIS 24 CO -0.02 1.53 0.78 0.41 -0.00 0.00 0.00 177.93 180.63 1x37 n GLY 25 N 1.73 -0.80 0.30 2.45 0.00 1.58 -0.24 105.19 110.20 1x37 n GLY 25 Ca -0.18 0.76 0.29 0.00 0.00 0.00 0.00 46.02 46.89 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 -4.83 0.28 -4.94 0.99 0.00 -1.04 -4.18 117.00 103.28 1x37 n LEU 26 Ca 0.39 1.38 -0.24 0.00 0.00 0.00 0.00 56.01 57.55 1x37 n LEU 26 Cb 1.47 -0.68 -0.00 0.00 0.00 0.00 0.00 43.42 44.21 1x37 n LEU 26 CO 0.13 -1.54 0.25 -0.54 0.00 0.00 0.00 177.39 175.69 1x37 s LYS 27 N -5.25 3.31 0.97 1.96 1.02 0.66 -5.03 119.74 117.37 1x37 s LYS 27 Ca -0.07 -0.34 -0.15 0.00 0.02 0.00 0.00 55.97 55.42 1x37 s LYS 27 Cb 0.29 -2.58 -0.07 0.00 -0.52 0.00 0.00 37.83 34.94 1x37 s LYS 27 CO 0.68 -0.07 -0.29 0.36 -0.92 0.00 0.00 175.35 175.11 1x37 n LYS 28 N -1.97 -0.11 -1.51 1.68 2.85 -1.26 -4.38 118.16 113.46 1x37 n LYS 28 Ca -0.02 -0.02 -0.32 0.00 -1.05 0.00 0.00 58.31 56.91 1x37 n LYS 28 Cb 0.57 -1.36 -0.16 0.00 -0.65 0.00 0.00 35.03 33.42 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 1.47 -0.02 -2.90 -5.58 3.41 -1.26 -4.73 113.62 104.00 1x37 n SER 29 Ca 0.02 -0.28 -0.21 0.00 -0.26 0.00 0.00 58.87 58.14 1x37 n SER 29 Cb 0.55 -0.90 -0.02 0.00 -0.26 0.00 0.00 64.21 63.57 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 9.89 2.85 -3.24 4.04 5.15 -1.26 -1.34 115.26 131.35 1x37 n ASN 30 Ca 0.62 -3.32 0.03 0.00 -0.60 0.00 0.00 54.58 51.32 1x37 n ASN 30 Cb 0.15 -0.56 -0.02 0.00 -0.53 0.00 0.00 39.78 38.83 1x37 n ASN 30 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1x37 s LEU 31 N -3.09 -1.28 -0.48 1.20 2.96 -1.26 -4.24 118.68 112.49 1x37 s LEU 31 Ca 0.42 0.96 0.08 0.00 -0.22 0.00 0.00 54.13 55.37 1x37 s LEU 31 Cb 0.35 2.14 0.29 0.00 0.50 0.00 0.00 46.19 49.47 1x37 s LEU 31 CO -0.10 -0.24 0.71 0.00 -1.32 0.00 0.00 176.35 175.39 1x37 n GLN 32 N 5.43 1.67 -3.16 1.98 3.00 0.42 -4.78 117.38 121.94 1x37 n GLN 32 Ca -0.03 -3.91 -0.39 0.00 -0.01 0.00 0.00 57.00 52.66 1x37 n GLN 32 Cb 0.51 -1.77 -0.06 0.00 0.00 0.00 0.00 30.24 28.92 1x37 n GLN 32 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 1x37 s LEU 33 N -2.22 4.23 0.30 1.08 0.20 -1.26 -1.74 118.68 119.27 1x37 s LEU 33 Ca 0.40 0.92 -0.07 0.00 0.69 0.00 0.00 54.13 56.06 1x37 s LEU 33 Cb 0.23 -2.88 -0.06 0.00 -0.43 0.00 0.00 46.19 43.05 1x37 s LEU 33 CO -0.08 -0.15 0.61 -0.13 -0.29 0.00 0.00 176.35 176.30 1x37 s ARG 34 N 1.23 3.71 0.15 1.98 0.52 -1.26 -4.98 118.95 120.29 1x37 s ARG 34 Ca 0.30 0.18 -0.16 0.00 -0.52 0.00 0.00 55.73 55.53 1x37 s ARG 34 Cb -0.16 -2.58 0.01 0.00 0.52 0.00 0.00 34.95 32.73 1x37 s ARG 34 CO 0.12 0.17 1.77 -0.44 0.02 0.00 0.00 175.30 176.95 1x37 h ASP 35 N 1.76 0.48 -0.80 0.23 5.19 -1.97 -2.54 116.42 118.78 1x37 h ASP 35 Ca -0.47 -0.06 0.19 0.00 -0.62 0.00 0.00 57.03 56.07 1x37 h ASP 35 Cb 1.18 -0.12 -0.13 0.00 0.18 0.00 0.00 39.33 40.44 1x37 h ASP 35 CO 0.66 0.40 0.07 0.06 -3.12 0.00 0.00 179.24 177.31 1x37 h GLN 36 N 0.52 0.13 0.50 3.56 3.07 -1.99 -0.62 115.11 120.29 1x37 h GLN 36 Ca 0.14 -0.01 -0.02 0.00 0.09 0.00 0.00 58.65 58.85 1x37 h GLN 36 Cb 0.01 -0.03 0.00 0.00 0.08 0.00 0.00 27.48 27.54 1x37 h GLN 36 CO -0.03 0.09 -0.24 0.00 0.09 0.00 0.00 178.83 178.74 1x37 h ALA 37 N 1.73 -0.68 -1.05 0.06 0.00 -1.81 -1.49 119.26 116.03 1x37 h ALA 37 Ca 0.46 -0.18 0.35 0.00 0.00 0.00 0.00 54.91 55.54 1x37 h ALA 37 Cb 0.84 0.26 -0.15 0.00 0.00 0.00 0.00 17.79 18.74 1x37 h ALA 37 CO -0.67 -0.81 0.61 0.82 0.00 0.00 0.00 179.25 179.20 1x37 h ILE 38 N -0.82 0.25 -0.27 0.00 1.08 -0.85 0.84 117.51 117.74 1x37 h ILE 38 Ca -0.07 -0.09 -0.18 0.00 -0.39 0.00 0.00 64.86 64.13 1x37 h ILE 38 Cb 0.58 -0.03 -0.00 0.00 -3.07 0.00 0.00 36.82 34.30 1x37 h ILE 38 CO 0.11 0.05 -0.56 -0.07 -0.69 0.00 0.00 178.15 176.99 1x37 h LEU 39 N 0.25 0.92 0.74 1.44 3.38 -0.81 -3.16 115.31 118.07 1x37 h LEU 39 Ca 0.75 -0.50 -0.04 0.00 0.09 0.00 0.00 57.88 58.19 1x37 h LEU 39 Cb 1.87 -0.26 0.01 0.00 0.09 0.00 0.00 40.66 42.36 1x37 h LEU 39 CO -0.58 1.28 -0.35 0.44 0.09 0.00 0.00 178.44 179.32 1x37 h ASP 40 N 0.63 -0.84 -0.10 -0.43 5.19 0.17 -1.04 116.42 120.01 1x37 h ASP 40 Ca 0.01 0.02 0.01 0.00 -0.62 0.00 0.00 57.03 56.46 1x37 h ASP 40 Cb 1.16 0.22 -0.02 0.00 0.18 0.00 0.00 39.33 40.86 1x37 h ASP 40 CO 0.12 -0.58 -0.15 -0.29 -3.12 0.00 0.00 179.24 175.22 1x37 h ILE 41 N -1.01 0.00 -1.03 0.35 2.10 -1.35 0.22 117.51 116.78 1x37 h ILE 41 Ca -0.10 0.00 0.28 0.00 1.08 0.00 0.00 64.86 66.12 1x37 h ILE 41 Cb 0.76 0.00 -0.13 0.00 -1.09 0.00 0.00 36.82 36.37 1x37 h ILE 41 CO 0.17 0.00 0.62 -0.29 -1.08 0.00 0.00 178.15 177.57 1x37 h ILE 42 N -0.11 0.44 -0.96 2.19 2.10 -1.58 0.50 117.51 120.08 1x37 h ILE 42 Ca 0.02 -0.15 0.10 0.00 1.08 0.00 0.00 64.86 65.91 1x37 h ILE 42 Cb 0.16 -0.04 -0.08 0.00 -1.09 0.00 0.00 36.82 35.77 1x37 h ILE 42 CO -0.15 0.08 0.60 -0.09 -1.08 0.00 0.00 178.15 177.51 1x37 h ARG 43 N 0.44 0.96 0.24 2.19 2.43 0.78 1.68 114.38 123.10 1x37 h ARG 43 Ca 0.67 -0.06 -0.33 0.00 -0.81 0.00 0.00 59.98 59.46 1x37 h ARG 43 Cb 1.50 -0.22 0.03 0.00 -0.42 0.00 0.00 29.97 30.87 1x37 h ARG 43 CO -0.47 0.64 -1.46 1.88 -1.51 0.00 0.00 179.97 179.05 1x37 h TYR 44 N 0.99 0.92 0.04 2.20 0.05 0.95 -3.39 116.97 118.73 1x37 h TYR 44 Ca 0.46 -0.67 -0.00 0.00 0.05 0.00 0.00 58.73 58.57 1x37 h TYR 44 Cb 0.39 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 38.09 1x37 h TYR 44 CO -0.02 1.53 -0.02 1.88 -1.05 0.00 0.00 178.16 180.48 1x37 h TYR 45 N 0.14 -0.04 0.00 4.88 -1.99 -0.39 -3.37 116.97 116.19 1x37 h TYR 45 Ca -0.24 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.49 1x37 h TYR 45 Cb 2.15 0.01 0.00 0.00 2.00 0.00 0.00 36.73 40.89 1x37 h TYR 45 CO 0.12 -0.03 0.00 2.41 -0.00 0.00 0.00 178.16 180.66 1x37 n THR 46 N -2.96 0.00 -2.09 -2.88 -1.04 0.57 -4.79 114.28 101.09 1x37 n THR 46 Ca -0.01 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.72 1x37 n THR 46 Cb 0.02 -0.49 -0.05 0.00 -1.82 0.00 0.00 70.33 67.99 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 -0.98 2.61 0.57 -2.82 1.70 -1.26 -4.93 118.95 113.84 1x37 s ARG 47 Ca 0.00 -0.58 -0.21 0.00 -0.47 0.00 0.00 55.73 54.48 1x37 s ARG 47 Cb 0.00 -5.13 -0.04 0.00 -0.57 0.00 0.00 34.95 29.21 1x37 s ARG 47 CO 0.00 -3.46 1.34 -1.83 -1.08 0.00 0.00 175.30 170.27 1x37 s GLU 48 N 6.73 2.98 0.00 3.89 -1.05 -1.26 -4.93 118.70 125.06 1x37 s GLU 48 Ca 0.68 2.18 0.00 0.00 -0.15 0.00 0.00 54.97 57.69 1x37 s GLU 48 Cb -0.05 -2.14 0.00 0.00 -0.44 0.00 0.00 34.13 31.50 1x37 s GLU 48 CO 0.02 -1.30 0.00 0.00 0.95 0.00 0.00 175.26 174.93 1x37 n ALA 49 N -1.27 0.00 -1.14 -0.84 0.00 -1.26 -5.11 120.51 110.88 1x37 n ALA 49 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1x37 n ALA 49 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.91 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 -4.29 0.37 0.00 0.00 -1.26 -4.08 105.19 95.94 1x37 n GLY 50 Ca 0.00 -0.73 0.04 0.00 0.00 0.00 0.00 46.02 45.33 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 1.57 1.06 -0.96 1.61 -1.51 -2.00 -2.31 116.25 113.70 1x37 h VAL 51 Ca 0.00 -0.38 0.22 0.00 -1.23 0.00 0.00 66.70 65.31 1x37 h VAL 51 Cb 0.00 -0.16 -0.18 0.00 -2.13 0.00 0.00 31.29 28.82 1x37 h VAL 51 CO 0.00 0.20 -0.12 -0.09 -1.23 0.00 0.00 177.57 176.34 1x37 h ARG 52 N 1.12 0.01 0.02 5.19 9.65 -1.99 0.30 114.38 128.67 1x37 h ARG 52 Ca 0.43 -0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 59.31 1x37 h ARG 52 Cb 0.22 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.80 1x37 h ARG 52 CO -0.18 0.01 -0.01 0.77 2.80 0.00 0.00 179.97 183.36 1x37 h SER 53 N 0.01 -0.02 -0.32 -3.80 0.02 -1.56 -1.52 113.55 106.36 1x37 h SER 53 Ca 0.52 -0.34 0.07 0.00 -0.84 0.00 0.00 61.79 61.20 1x37 h SER 53 Cb 0.92 0.01 -0.08 0.00 0.14 0.00 0.00 62.40 63.38 1x37 h SER 53 CO -0.95 0.33 -0.25 0.25 -1.14 0.00 0.00 176.83 175.08 1x37 h LEU 54 N -0.38 -0.82 -1.09 5.07 5.85 -0.55 0.35 115.31 123.74 1x37 h LEU 54 Ca -0.00 0.16 0.11 0.00 0.84 0.00 0.00 57.88 58.98 1x37 h LEU 54 Cb 0.36 0.40 -0.08 0.00 0.37 0.00 0.00 40.66 41.71 1x37 h LEU 54 CO 0.00 -0.28 0.61 -0.33 -0.34 0.00 0.00 178.44 178.11 1x37 h GLU 55 N -0.22 0.94 -0.76 1.25 5.08 -0.53 0.01 114.58 120.35 1x37 h GLU 55 Ca 0.16 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.42 1x37 h GLU 55 Cb 0.47 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 1x37 h GLU 55 CO -0.45 0.62 0.30 -0.09 -1.00 0.00 0.00 179.01 178.39 1x37 h ARG 56 N 0.97 1.13 0.02 2.33 2.43 0.64 0.25 114.38 122.15 1x37 h ARG 56 Ca 0.46 -0.20 -0.00 0.00 -0.81 0.00 0.00 59.98 59.43 1x37 h ARG 56 Cb 0.44 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 1x37 h ARG 56 CO -0.22 0.92 -0.01 0.37 -1.51 0.00 0.00 179.97 179.52 1x37 h GLN 57 N 1.10 -0.03 -0.46 0.20 5.75 0.11 0.18 115.11 121.96 1x37 h GLN 57 Ca 0.25 0.00 -0.07 0.00 -0.15 0.00 0.00 58.65 58.69 1x37 h GLN 57 Cb 0.21 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.75 1x37 h GLN 57 CO -0.02 0.14 0.03 -0.07 -2.65 0.00 0.00 178.83 176.27 1x37 h LEU 58 N -0.20 0.78 -1.23 -2.39 3.38 -1.16 -1.84 115.31 112.65 1x37 h LEU 58 Ca -0.00 -0.29 0.05 0.00 0.09 0.00 0.00 57.88 57.73 1x37 h LEU 58 Cb 0.18 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.68 1x37 h LEU 58 CO 0.00 0.87 0.54 0.00 0.09 0.00 0.00 178.44 179.95 1x37 h ALA 59 N 0.93 1.54 0.64 1.53 0.00 -0.36 -0.81 119.26 122.72 1x37 h ALA 59 Ca 0.14 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1x37 h ALA 59 Cb 0.46 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 17.99 1x37 h ALA 59 CO 0.02 0.36 -0.31 0.00 0.00 0.00 0.00 179.25 179.32 1x37 h ALA 60 N 1.53 -1.16 -0.84 0.00 0.00 0.10 -1.15 119.26 117.75 1x37 h ALA 60 Ca 0.34 -0.19 0.15 0.00 0.00 0.00 0.00 54.91 55.21 1x37 h ALA 60 Cb 0.12 0.33 -0.09 0.00 0.00 0.00 0.00 17.79 18.14 1x37 h ALA 60 CO -0.11 -1.09 0.42 0.97 0.00 0.00 0.00 179.25 179.43 1x37 h ILE 61 N -0.90 0.72 0.00 0.00 2.10 -1.16 0.32 117.51 118.59 1x37 h ILE 61 Ca -0.09 -0.21 0.00 0.00 1.08 0.00 0.00 64.86 65.65 1x37 h ILE 61 Cb 0.65 0.07 0.00 0.00 -1.09 0.00 0.00 36.82 36.45 1x37 h ILE 61 CO 0.14 0.11 0.00 0.00 -1.08 0.00 0.00 178.15 177.32 1x37 h ARG 63 N 0.00 -0.06 -1.05 0.00 3.08 -1.13 0.72 114.38 115.95 1x37 h ARG 63 Ca 0.00 0.00 0.39 0.00 0.07 0.00 0.00 59.98 60.45 1x37 h ARG 63 Cb 0.00 0.01 -0.16 0.00 0.08 0.00 0.00 29.97 29.90 1x37 h ARG 63 CO 0.00 -0.04 0.59 -0.22 -1.07 0.00 0.00 179.97 179.24 1x37 h LYS 64 N -0.06 0.10 -0.26 0.04 1.63 -0.34 4.12 116.57 121.80 1x37 h LYS 64 Ca 0.25 -0.01 -0.17 0.00 -0.85 0.00 0.00 60.65 59.88 1x37 h LYS 64 Cb 0.44 -0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 32.04 1x37 h LYS 64 CO -0.57 0.07 -0.50 0.00 -3.45 0.00 0.00 179.45 175.00 1x37 h ALA 65 N 1.90 0.62 -0.90 5.00 0.00 0.17 -2.81 119.26 123.23 1x37 h ALA 65 Ca 0.81 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 1x37 h ALA 65 Cb 2.13 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 19.79 1x37 h ALA 65 CO -0.67 0.68 0.54 0.00 0.00 0.00 0.00 179.25 179.80 1x37 h ALA 66 N 0.86 1.25 -0.73 0.00 0.00 0.91 -2.18 119.26 119.37 1x37 h ALA 66 Ca 0.02 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 1x37 h ALA 66 Cb 1.07 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 1x37 h ALA 66 CO 0.11 0.64 0.21 -0.22 0.00 0.00 0.00 179.25 179.98 1x37 h LYS 67 N 1.25 1.14 0.00 0.00 3.64 -0.54 -2.01 116.57 120.06 1x37 h LYS 67 Ca 0.32 -0.25 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1x37 h LYS 67 Cb -0.05 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.61 1x37 h LYS 67 CO -0.06 0.98 0.54 0.00 -2.27 0.00 0.00 179.45 178.65 1x37 h ALA 68 N 1.13 1.44 -0.05 5.00 0.00 -1.13 0.38 119.26 126.02 1x37 h ALA 68 Ca 0.23 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.16 1x37 h ALA 68 Cb 0.33 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1x37 h ALA 68 CO -0.00 -0.44 0.05 0.82 0.00 0.00 0.00 179.25 179.67 1x37 h ILE 69 N 0.00 0.60 0.00 0.00 1.08 -1.45 0.25 117.51 118.00 1x37 h ILE 69 Ca 0.00 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.43 1x37 h ILE 69 Cb 1.09 0.96 -0.01 0.00 -3.07 0.00 0.00 36.82 35.79 1x37 h ILE 69 CO 0.00 0.00 -0.20 -0.37 -0.69 0.00 0.00 178.15 176.89 1x37 h VAL 70 N 0.00 0.93 -0.13 1.67 -1.51 -0.47 -2.07 116.25 114.66 1x37 h VAL 70 Ca 0.02 -0.75 -0.06 0.00 -1.23 0.00 0.00 66.70 64.69 1x37 h VAL 70 Cb 0.12 1.43 -0.04 0.00 -2.13 0.00 0.00 31.29 30.67 1x37 h VAL 70 CO -0.00 0.20 0.08 0.00 -1.23 0.00 0.00 177.57 176.61 1x37 n ALA 71 N -2.40 2.91 -2.93 5.19 0.00 0.08 -4.90 120.51 118.44 1x37 n ALA 71 Ca -0.02 -0.40 -0.01 0.00 0.00 0.00 0.00 53.44 53.01 1x37 n ALA 71 Cb 0.28 -1.06 -0.01 0.00 0.00 0.00 0.00 19.45 18.66 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 0.23 -2.21 0.00 0.00 2.13 -0.78 -5.02 120.64 114.99 1x37 n GLU 72 Ca 0.08 1.93 0.00 0.00 0.66 0.00 0.00 57.16 59.83 1x37 n GLU 72 Cb 0.62 -2.73 0.00 0.00 0.27 0.00 0.00 31.44 29.59 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 1.65 0.00 -3.81 5.31 -0.58 -1.26 -5.05 120.64 116.90 1x37 n GLU 73 Ca -0.10 0.00 -0.04 0.00 -0.42 0.00 0.00 57.16 56.60 1x37 n GLU 73 Cb 0.29 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.16 1x37 n GLU 73 CO 0.00 0.00 0.00 -0.98 -0.48 0.00 0.00 177.13 175.67 1x37 s ARG 74 N 0.80 1.42 0.64 3.49 1.70 -1.26 -5.15 118.95 120.59 1x37 s ARG 74 Ca 0.00 -0.85 -0.05 0.00 -0.47 0.00 0.00 55.73 54.36 1x37 s ARG 74 Cb 0.00 0.44 0.04 0.00 -0.57 0.00 0.00 34.95 34.86 1x37 s ARG 74 CO 0.00 -0.66 0.93 0.15 -1.08 0.00 0.00 175.30 174.64 1x37 s LYS 75 N -2.86 2.51 -0.46 3.89 3.01 -1.26 -4.58 119.74 119.99 1x37 s LYS 75 Ca 0.16 -0.25 -0.30 0.00 -1.01 0.00 0.00 55.97 54.56 1x37 s LYS 75 Cb -0.03 -2.26 0.04 0.00 -1.01 0.00 0.00 37.83 34.58 1x37 s LYS 75 CO 0.05 -0.95 0.64 0.54 0.51 0.00 0.00 175.35 176.14 1x37 n ARG 76 N -2.70 -2.08 -2.13 1.68 1.74 -0.45 -4.78 116.66 107.94 1x37 n ARG 76 Ca 0.07 1.66 -0.43 0.00 -0.77 0.00 0.00 57.85 58.38 1x37 n ARG 76 Cb 0.59 -3.39 -0.03 0.00 -1.02 0.00 0.00 32.46 28.62 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 -1.93 3.76 -0.12 0.55 1.01 -1.26 -4.67 121.20 118.54 1x37 s ILE 77 Ca 0.32 0.89 -0.21 0.00 0.00 0.00 0.00 60.65 61.66 1x37 s ILE 77 Cb -0.05 -3.67 -0.04 0.00 0.01 0.00 0.00 42.46 38.71 1x37 s ILE 77 CO 0.84 -0.19 0.61 -0.89 0.00 0.00 0.00 174.94 175.31 1x37 s THR 78 N 4.50 5.09 0.11 2.92 2.01 -1.26 -0.43 115.64 128.57 1x37 s THR 78 Ca 0.69 1.22 0.04 0.00 0.31 0.00 0.00 61.69 63.95 1x37 s THR 78 Cb -0.27 -3.94 -0.04 0.00 0.01 0.00 0.00 72.50 68.26 1x37 s THR 78 CO 0.27 0.24 0.05 -0.69 -0.69 0.00 0.00 174.62 173.80 1x37 s VAL 79 N 1.04 4.26 0.31 3.82 1.01 -0.71 -4.95 120.40 125.17 1x37 s VAL 79 Ca 0.31 -0.97 -0.12 0.00 0.00 0.00 0.00 61.98 61.20 1x37 s VAL 79 Cb -0.16 -3.08 0.02 0.00 0.00 0.00 0.00 36.38 33.16 1x37 s VAL 79 CO 0.13 0.05 0.59 0.42 0.00 0.00 0.00 175.10 176.29 1x37 s THR 80 N -1.46 0.00 0.67 3.92 -4.23 -1.26 -4.16 115.64 109.11 1x37 s THR 80 Ca 0.28 -1.31 0.42 0.00 -1.18 0.00 0.00 61.69 59.90 1x37 s THR 80 Cb -0.11 -2.46 0.42 0.00 1.34 0.00 0.00 72.50 71.69 1x37 s THR 80 CO 0.21 0.00 2.28 1.05 -0.54 0.00 0.00 174.62 177.62 1x37 h GLU 81 N 2.12 0.00 0.00 3.99 -0.00 -1.92 -1.34 114.58 117.43 1x37 h GLU 81 Ca -0.27 0.00 -0.00 0.00 -0.00 0.00 0.00 59.36 59.09 1x37 h GLU 81 Cb 1.25 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 30.00 1x37 h GLU 81 CO 0.36 0.00 -0.51 1.17 -0.00 0.00 0.00 179.01 180.03 1x37 n LYS 82 N -3.05 0.45 -0.35 1.06 4.81 -1.26 -4.19 118.16 115.63 1x37 n LYS 82 Ca -0.03 0.53 0.24 0.00 -0.87 0.00 0.00 58.31 58.18 1x37 n LYS 82 Cb 0.14 -1.70 0.48 0.00 0.02 0.00 0.00 35.03 33.97 1x37 n LYS 82 CO 0.00 0.00 0.00 -0.91 1.17 0.00 0.00 177.40 177.66 1x37 h ASN 83 N -1.00 0.51 -0.99 3.14 2.35 -1.89 -1.03 115.58 116.67 1x37 h ASN 83 Ca -0.00 0.15 0.13 0.00 -0.55 0.00 0.00 56.30 56.02 1x37 h ASN 83 Cb 0.51 0.08 -0.14 0.00 0.05 0.00 0.00 38.32 38.82 1x37 h ASN 83 CO -0.00 -0.03 -0.47 -0.11 -1.65 0.00 0.00 177.43 175.17 1x37 n LEU 84 N -4.87 -0.81 -0.35 1.61 0.00 -0.52 0.18 117.00 112.23 1x37 n LEU 84 Ca 0.30 1.75 0.10 0.00 0.00 0.00 0.00 56.01 58.16 1x37 n LEU 84 Cb 0.96 -0.33 0.29 0.00 0.00 0.00 0.00 43.42 44.34 1x37 n LEU 84 CO 0.16 -1.51 1.22 1.56 0.00 0.00 0.00 177.39 178.82 1x37 h GLN 85 N 0.00 0.83 -1.00 1.96 4.20 -1.39 0.25 115.11 119.96 1x37 h GLN 85 Ca 0.27 -0.05 0.02 0.00 0.06 0.00 0.00 58.65 58.95 1x37 h GLN 85 Cb 0.52 -0.19 -0.05 0.00 0.30 0.00 0.00 27.48 28.05 1x37 h GLN 85 CO -0.96 0.55 0.66 -0.44 -0.67 0.00 0.00 178.83 177.97 1x37 h ASP 86 N 0.86 1.13 0.00 1.46 5.19 0.18 1.03 116.42 126.26 1x37 h ASP 86 Ca 0.53 -0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.92 1x37 h ASP 86 Cb 0.71 -0.27 0.00 0.00 0.18 0.00 0.00 39.33 39.95 1x37 h ASP 86 CO -0.31 0.79 -0.01 -0.26 -3.12 0.00 0.00 179.24 176.34 1x37 h PHE 87 N 1.32 0.00 0.49 4.55 0.04 0.33 -3.40 116.94 120.26 1x37 h PHE 87 Ca 0.38 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 61.13 1x37 h PHE 87 Cb -0.08 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.08 1x37 h PHE 87 CO -0.00 0.00 -0.24 0.82 -0.60 0.00 0.00 178.31 178.29 1x37 h ILE 88 N -0.24 0.24 -3.36 -0.55 2.04 -0.71 -3.50 117.51 111.44 1x37 h ILE 88 Ca 0.00 -0.51 0.00 0.00 1.00 0.00 0.00 64.86 65.35 1x37 h ILE 88 Cb 0.01 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 36.45 1x37 h ILE 88 CO 0.00 0.05 -0.83 0.61 0.00 0.00 0.00 178.15 177.97 1x37 n GLY 89 N -0.21 -4.39 2.67 5.37 0.00 0.35 -4.93 105.19 104.06 1x37 n GLY 89 Ca -0.10 -0.77 -0.03 0.00 0.00 0.00 0.00 46.02 45.12 1x37 n GLY 89 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1x37 n LYS 90 N -1.20 -4.02 -1.33 1.61 3.00 -1.26 -4.96 118.16 110.00 1x37 n LYS 90 Ca 0.00 3.11 -0.29 0.00 -0.00 0.00 0.00 58.31 61.13 1x37 n LYS 90 Cb 0.08 -5.18 0.16 0.00 0.00 0.00 0.00 35.03 30.09 1x37 n LYS 90 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 1x37 s ARG 91 N -1.16 0.59 -0.18 1.64 1.70 -1.26 -5.02 118.95 115.25 1x37 s ARG 91 Ca -0.14 0.35 -0.16 0.00 -0.47 0.00 0.00 55.73 55.30 1x37 s ARG 91 Cb 0.01 -1.77 -0.06 0.00 -0.57 0.00 0.00 34.95 32.56 1x37 s ARG 91 CO 0.78 -2.59 -0.32 -0.89 -1.08 0.00 0.00 175.30 171.21 1x37 n ILE 92 N -4.05 1.49 -2.12 4.99 5.41 -1.26 -4.96 119.36 118.86 1x37 n ILE 92 Ca 0.06 0.11 -0.34 0.00 1.00 0.00 0.00 62.75 63.58 1x37 n ILE 92 Cb 0.58 -2.32 0.01 0.00 -0.71 0.00 0.00 39.64 37.21 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 -2.77 2.67 -0.47 1.39 0.40 -1.26 -5.01 117.98 112.92 1x37 s PHE 93 Ca -0.28 1.55 0.03 0.00 -0.60 0.00 0.00 56.93 57.63 1x37 s PHE 93 Cb 0.05 -3.25 0.13 0.00 0.51 0.00 0.00 43.02 40.46 1x37 s PHE 93 CO 0.41 -1.59 0.23 1.03 0.70 0.00 0.00 175.22 176.00 1x37 s ARG 94 N -3.52 1.64 0.00 0.44 0.52 -1.26 -5.08 118.95 111.69 1x37 s ARG 94 Ca 0.71 -2.29 0.00 0.00 -0.52 0.00 0.00 55.73 53.63 1x37 s ARG 94 Cb -0.23 -2.90 0.00 0.00 0.52 0.00 0.00 34.95 32.35 1x37 s ARG 94 CO 0.31 -1.11 0.21 0.98 0.02 0.00 0.00 175.30 175.70