#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m60 s ASP 2 N 0.00 0.14 0.21 1.61 1.01 -1.26 -4.77 116.67 113.61 1m60 s ASP 2 Ca 0.00 -0.02 -0.08 0.00 0.71 0.00 0.00 52.55 53.17 1m60 s ASP 2 Cb 0.00 -0.02 0.15 0.00 1.01 0.00 0.00 42.92 44.06 1m60 s ASP 2 CO 0.00 0.00 1.77 0.58 0.21 0.00 0.00 175.17 177.73 1m60 h VAL 3 N 5.22 1.26 -0.35 -1.27 2.07 -1.83 0.19 116.25 121.54 1m60 h VAL 3 Ca -0.27 -0.85 -0.05 0.00 0.82 0.00 0.00 66.70 66.35 1m60 h VAL 3 Cb 1.20 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 1m60 h VAL 3 CO 0.51 0.35 0.01 -0.33 0.02 0.00 0.00 177.57 178.12 1m60 h GLU 4 N 1.16 0.61 -0.20 1.57 5.08 -1.97 0.31 114.58 121.14 1m60 h GLU 4 Ca 0.26 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1m60 h GLU 4 Cb 0.24 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1m60 h GLU 4 CO -0.02 0.72 0.10 0.87 -1.00 0.00 0.00 179.01 179.68 1m60 h LYS 5 N 0.43 0.28 -0.96 2.33 1.57 -1.89 -2.87 116.57 115.45 1m60 h LYS 5 Ca 0.10 -0.04 0.19 0.00 -1.87 0.00 0.00 60.65 59.04 1m60 h LYS 5 Cb 0.44 -0.05 -0.11 0.00 0.08 0.00 0.00 32.23 32.59 1m60 h LYS 5 CO 0.02 0.28 0.55 0.78 -0.57 0.00 0.00 179.45 180.50 1m60 h GLY 6 N 0.20 1.69 0.18 3.86 0.00 -0.00 0.20 103.07 109.20 1m60 h GLY 6 Ca 0.07 -0.31 0.01 0.00 0.00 0.00 0.00 47.33 47.10 1m60 h GLY 6 CO -0.01 -0.11 -0.51 0.50 0.00 0.00 0.00 176.54 176.42 1m60 h LYS 7 N 0.67 -0.74 0.15 4.80 1.79 -0.20 0.29 116.57 123.33 1m60 h LYS 7 Ca 0.56 0.05 0.01 0.00 -2.18 0.00 0.00 60.65 59.10 1m60 h LYS 7 Cb 0.91 0.17 -0.03 0.00 -1.58 0.00 0.00 32.23 31.69 1m60 h LYS 7 CO -0.41 -0.49 -0.26 0.87 -1.08 0.00 0.00 179.45 178.08 1m60 h LYS 8 N -0.77 -0.47 -0.76 3.15 1.79 -0.94 0.76 116.57 119.33 1m60 h LYS 8 Ca -0.02 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 1m60 h LYS 8 Cb 0.75 0.11 -0.04 0.00 -1.58 0.00 0.00 32.23 31.47 1m60 h LYS 8 CO -0.24 -0.31 0.48 0.82 -1.08 0.00 0.00 179.45 179.12 1m60 h ILE 9 N -0.49 1.20 -0.18 1.86 1.08 -0.66 0.20 117.51 120.53 1m60 h ILE 9 Ca 0.02 -0.40 0.02 0.00 -0.39 0.00 0.00 64.86 64.11 1m60 h ILE 9 Cb 0.50 0.11 -0.02 0.00 -3.07 0.00 0.00 36.82 34.34 1m60 h ILE 9 CO -0.13 0.20 0.05 0.15 -0.69 0.00 0.00 178.15 177.73 1m60 h PHE 10 N 1.03 0.09 -0.40 1.37 3.04 -0.10 0.14 116.94 122.11 1m60 h PHE 10 Ca 0.28 0.01 -0.04 0.00 3.98 0.00 0.00 57.97 62.20 1m60 h PHE 10 Cb -0.09 -0.01 -0.02 0.00 2.56 0.00 0.00 35.95 38.39 1m60 h PHE 10 CO -0.02 0.04 0.08 0.28 -2.02 0.00 0.00 178.31 176.68 1m60 h VAL 11 N 0.13 1.18 0.34 1.41 2.07 0.06 0.34 116.25 121.79 1m60 h VAL 11 Ca 0.08 -0.67 -0.02 0.00 0.82 0.00 0.00 66.70 66.91 1m60 h VAL 11 Cb 0.06 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 1m60 h VAL 11 CO -0.09 0.24 -0.16 1.56 0.02 0.00 0.00 177.57 179.14 1m60 h GLN 12 N 0.57 -0.44 0.01 1.57 4.20 -0.20 -3.30 115.11 117.52 1m60 h GLN 12 Ca 0.13 0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.82 1m60 h GLN 12 Cb 0.24 0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.11 1m60 h GLN 12 CO -0.00 -0.12 -0.26 0.87 -0.67 0.00 0.00 178.83 178.66 1m60 h LYS 13 N -0.90 0.02 0.00 1.46 1.79 -0.53 -3.42 116.57 115.00 1m60 h LYS 13 Ca -0.05 -0.04 -0.36 0.00 -2.18 0.00 0.00 60.65 58.02 1m60 h LYS 13 Cb 0.53 0.02 -0.07 0.00 -1.58 0.00 0.00 32.23 31.13 1m60 h LYS 13 CO 0.08 1.02 -2.34 0.00 -1.08 0.00 0.00 179.45 177.12 1m60 h ALA 15 N 0.83 1.64 -0.67 0.00 0.00 -1.41 0.24 119.26 119.89 1m60 h ALA 15 Ca -0.53 0.31 0.20 0.00 0.00 0.00 0.00 54.91 54.88 1m60 h ALA 15 Cb 2.15 0.47 -0.03 0.00 0.00 0.00 0.00 17.79 20.38 1m60 h ALA 15 CO 0.01 -0.75 0.65 1.96 0.00 0.00 0.00 179.25 181.13 1m60 h GLN 16 N 0.01 0.00 0.00 0.00 4.20 -1.81 -3.28 115.11 114.23 1m60 h GLN 16 Ca 0.72 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.43 1m60 h GLN 16 Cb 1.70 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.48 1m60 h GLN 16 CO -0.85 0.00 -0.59 0.00 -0.67 0.00 0.00 178.83 176.72 1m60 s HIS 18 N -1.63 2.47 -0.48 0.00 3.76 0.31 -0.42 115.29 119.29 1m60 s HIS 18 Ca 0.00 -0.45 0.06 0.00 -0.15 0.00 0.00 55.06 54.52 1m60 s HIS 18 Cb 0.00 -1.40 0.22 0.00 1.11 0.00 0.00 32.58 32.51 1m60 s HIS 18 CO 0.00 0.55 0.76 -2.37 -0.85 0.00 0.00 174.74 172.82 1m60 n THR 19 N -0.86 -0.16 -1.13 1.30 5.66 -1.26 -3.80 114.28 114.04 1m60 n THR 19 Ca -0.05 -1.73 -0.33 0.00 -3.05 0.00 0.00 64.05 58.90 1m60 n THR 19 Cb 0.63 0.74 -0.02 0.00 -1.55 0.00 0.00 70.33 70.12 1m60 n THR 19 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 175.07 172.57 1m60 n VAL 20 N 2.16 3.45 -3.40 1.08 3.14 -1.26 -3.30 118.33 120.20 1m60 n VAL 20 Ca 0.15 -2.16 -0.23 0.00 -2.96 0.00 0.00 64.34 59.14 1m60 n VAL 20 Cb 0.58 -2.43 -0.10 0.00 -1.06 0.00 0.00 33.84 30.84 1m60 n VAL 20 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 1m60 s GLU 21 N 2.84 0.61 -0.31 1.45 2.12 -1.26 -4.75 118.70 119.41 1m60 s GLU 21 Ca 0.56 -1.15 -0.00 0.00 0.36 0.00 0.00 54.97 54.74 1m60 s GLU 21 Cb 0.15 -1.02 -0.00 0.00 0.26 0.00 0.00 34.13 33.52 1m60 s GLU 21 CO -0.04 -1.22 0.26 1.63 -0.54 0.00 0.00 175.26 175.35 1m60 n LYS 22 N 4.06 -1.66 -2.79 4.30 5.02 -1.26 -3.80 118.16 122.03 1m60 n LYS 22 Ca 0.13 0.22 -0.09 0.00 -2.02 0.00 0.00 58.31 56.55 1m60 n LYS 22 Cb 0.41 -3.33 0.03 0.00 -0.02 0.00 0.00 35.03 32.13 1m60 n LYS 22 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1m60 n GLY 23 N -1.05 0.24 3.71 0.72 0.00 -1.26 -5.03 105.19 102.50 1m60 n GLY 23 Ca -0.07 -0.27 -0.29 0.00 0.00 0.00 0.00 46.02 45.39 1m60 n GLY 23 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1m60 s GLY 24 N -3.32 1.56 -0.05 -0.02 0.00 -1.21 -4.93 107.32 99.36 1m60 s GLY 24 Ca 0.13 -0.43 -0.30 0.00 0.00 0.00 0.00 44.72 44.12 1m60 s GLY 24 CO 0.30 0.17 1.45 0.54 0.00 0.00 0.00 173.10 175.56 1m60 s LYS 25 N -5.06 4.24 -1.25 2.90 1.02 -1.26 -4.67 119.74 115.66 1m60 s LYS 25 Ca 0.65 1.97 -0.14 0.00 0.02 0.00 0.00 55.97 58.47 1m60 s LYS 25 Cb -0.17 -3.72 -0.04 0.00 -0.52 0.00 0.00 37.83 33.37 1m60 s LYS 25 CO 0.56 -0.68 2.27 0.72 -0.92 0.00 0.00 175.35 177.30 1m60 n HIS 26 N 6.10 2.67 0.00 3.18 8.25 -1.26 -4.17 115.22 129.99 1m60 n HIS 26 Ca 0.14 -2.59 0.00 0.00 -0.26 0.00 0.00 57.72 55.02 1m60 n HIS 26 Cb 0.44 -2.23 0.00 0.00 1.12 0.00 0.00 29.99 29.32 1m60 n HIS 26 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1m60 n LYS 27 N 5.67 0.00 0.00 -0.41 4.81 -1.21 -4.59 118.16 122.43 1m60 n LYS 27 Ca 0.55 0.47 0.00 0.00 -0.87 0.00 0.00 58.31 58.46 1m60 n LYS 27 Cb 0.34 -1.32 0.00 0.00 0.02 0.00 0.00 35.03 34.06 1m60 n LYS 27 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1m60 n THR 28 N -1.90 0.00 -3.88 3.15 -1.04 0.28 -5.02 114.28 105.87 1m60 n THR 28 Ca 0.00 -0.41 -0.10 0.00 -2.04 0.00 0.00 64.05 61.50 1m60 n THR 28 Cb 0.00 0.94 -0.09 0.00 -1.82 0.00 0.00 70.33 69.37 1m60 n THR 28 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1m60 s GLY 29 N -1.03 0.10 0.85 3.41 0.00 0.44 -4.93 107.32 106.16 1m60 s GLY 29 Ca 0.00 -0.42 -0.09 0.00 0.00 0.00 0.00 44.72 44.21 1m60 s GLY 29 CO 0.00 -0.58 1.17 2.56 0.00 0.00 0.00 173.10 176.25 1m60 s PRO 30 N -2.66 1.13 -0.35 2.90 0.04 -1.26 -4.14 135.00 130.66 1m60 s PRO 30 Ca -0.04 -0.74 -0.29 0.00 0.04 0.00 0.00 61.00 59.97 1m60 s PRO 30 Cb -0.01 -2.07 -0.01 0.00 0.04 0.00 0.00 34.50 32.45 1m60 s PRO 30 CO -0.05 -1.96 1.61 -0.80 0.04 0.00 0.00 177.00 175.84 1m60 s ASN 31 N -4.82 6.15 0.00 6.66 0.02 -1.26 -4.60 114.94 117.09 1m60 s ASN 31 Ca 0.70 1.14 -0.01 0.00 -1.02 0.00 0.00 52.86 53.67 1m60 s ASN 31 Cb -0.04 -2.53 -0.03 0.00 0.02 0.00 0.00 41.25 38.66 1m60 s ASN 31 CO 0.49 -1.53 1.70 0.18 0.02 0.00 0.00 177.10 177.96 1m60 n LEU 32 N 9.41 3.97 -4.56 0.60 4.77 -1.26 -4.87 117.00 125.06 1m60 n LEU 32 Ca 0.20 -1.90 -0.13 0.00 -0.03 0.00 0.00 56.01 54.14 1m60 n LEU 32 Cb 0.47 -0.87 -0.09 0.00 -2.33 0.00 0.00 43.42 40.59 1m60 n LEU 32 CO 0.69 0.81 1.15 1.57 -1.33 0.00 0.00 177.39 180.28 1m60 n HIS 33 N 1.79 1.02 0.00 -1.77 -0.00 -1.26 -3.35 115.22 111.65 1m60 n HIS 33 Ca 0.05 -0.09 0.00 0.00 0.46 0.00 0.00 57.72 58.15 1m60 n HIS 33 Cb 0.42 -2.58 0.00 0.00 -0.12 0.00 0.00 29.99 27.71 1m60 n HIS 33 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1m60 n GLY 34 N 6.47 0.76 0.09 1.57 0.00 -1.24 -4.93 105.19 107.91 1m60 n GLY 34 Ca 0.44 -0.67 -0.17 0.00 0.00 0.00 0.00 46.02 45.62 1m60 n GLY 34 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1m60 h LEU 35 N 0.00 0.21 -8.64 0.99 3.38 -0.88 -3.41 115.31 106.97 1m60 h LEU 35 Ca 0.00 -0.97 -0.50 0.00 0.09 0.00 0.00 57.88 56.50 1m60 h LEU 35 Cb 0.00 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1m60 h LEU 35 CO 0.00 1.17 1.47 -0.36 0.09 0.00 0.00 178.44 180.81 1m60 s PHE 36 N -2.35 1.40 0.00 1.13 0.08 -1.25 -0.29 117.98 116.70 1m60 s PHE 36 Ca -0.16 1.05 0.00 0.00 0.12 0.00 0.00 56.93 57.94 1m60 s PHE 36 Cb -0.01 -3.88 0.00 0.00 -0.57 0.00 0.00 43.02 38.56 1m60 s PHE 36 CO 0.75 -2.65 0.00 0.41 -0.10 0.00 0.00 175.22 173.63 1m60 n GLY 37 N 5.79 1.33 3.76 4.36 0.00 0.44 -5.01 105.19 115.86 1m60 n GLY 37 Ca 0.28 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.91 1m60 n GLY 37 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1m60 s ARG 38 N -0.40 4.52 0.25 1.61 3.52 0.60 -4.71 118.95 124.35 1m60 s ARG 38 Ca 0.00 1.74 -0.11 0.00 -0.13 0.00 0.00 55.73 57.24 1m60 s ARG 38 Cb 0.00 -3.04 -0.08 0.00 -1.56 0.00 0.00 34.95 30.28 1m60 s ARG 38 CO 0.00 0.12 0.59 0.21 -0.81 0.00 0.00 175.30 175.41 1m60 s LYS 39 N -1.69 3.84 0.75 5.12 2.20 -1.26 -0.57 119.74 128.13 1m60 s LYS 39 Ca 0.48 0.35 -0.15 0.00 -0.36 0.00 0.00 55.97 56.29 1m60 s LYS 39 Cb -0.30 -2.60 0.04 0.00 -1.51 0.00 0.00 37.83 33.46 1m60 s LYS 39 CO 0.38 0.28 1.17 0.25 -0.36 0.00 0.00 175.35 177.07 1m60 n THR 40 N -0.21 2.99 0.00 3.43 -2.24 -1.26 -4.53 114.28 112.46 1m60 n THR 40 Ca 0.01 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 1m60 n THR 40 Cb 0.53 -1.26 0.00 0.00 -2.10 0.00 0.00 70.33 67.50 1m60 n THR 40 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1m60 n GLY 41 N 0.77 1.46 3.77 3.38 0.00 -1.26 -4.10 105.19 109.21 1m60 n GLY 41 Ca 0.14 -0.48 -0.29 0.00 0.00 0.00 0.00 46.02 45.39 1m60 n GLY 41 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1m60 n GLN 42 N 0.00 -2.15 -3.46 1.61 6.02 -1.26 -4.92 117.38 113.22 1m60 n GLN 42 Ca 0.00 0.45 -0.27 0.00 -0.01 0.00 0.00 57.00 57.18 1m60 n GLN 42 Cb 0.00 -4.31 -0.09 0.00 1.02 0.00 0.00 30.24 26.86 1m60 n GLN 42 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1m60 n ALA 43 N -4.27 3.45 -0.34 -1.58 0.00 -1.26 -4.96 120.51 111.55 1m60 n ALA 43 Ca -0.18 -4.25 0.01 0.00 0.00 0.00 0.00 53.44 49.03 1m60 n ALA 43 Cb 0.63 -0.89 0.16 0.00 0.00 0.00 0.00 19.45 19.34 1m60 n ALA 43 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1m60 h PRO 44 N 4.52 1.07 0.00 0.00 0.13 -1.99 -0.57 132.00 135.16 1m60 h PRO 44 Ca 0.17 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1m60 h PRO 44 Cb 0.75 -0.24 0.00 0.00 0.13 0.00 0.00 31.00 31.64 1m60 h PRO 44 CO 0.68 0.71 0.00 0.41 -0.23 0.00 0.00 178.00 179.57 1m60 n GLY 45 N -1.35 -0.93 2.73 1.56 0.00 -1.26 -4.23 105.19 101.71 1m60 n GLY 45 Ca 0.14 -0.14 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 1m60 n GLY 45 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1m60 n PHE 46 N -0.87 -2.57 -1.67 1.61 7.35 -0.29 -4.96 117.46 116.06 1m60 n PHE 46 Ca 0.17 -1.35 -0.44 0.00 -0.76 0.00 0.00 57.45 55.07 1m60 n PHE 46 Cb 0.08 1.41 -0.03 0.00 0.35 0.00 0.00 39.48 41.28 1m60 n PHE 46 CO 0.00 0.00 0.00 2.41 -0.76 0.00 0.00 176.76 178.41 1m60 n THR 47 N 1.91 0.61 -0.78 -2.13 -1.04 -0.82 -4.64 114.28 107.39 1m60 n THR 47 Ca 0.09 -0.11 -0.33 0.00 -2.04 0.00 0.00 64.05 61.66 1m60 n THR 47 Cb 0.64 -2.15 0.11 0.00 -1.82 0.00 0.00 70.33 67.11 1m60 n THR 47 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1m60 n TYR 48 N 6.74 -1.44 0.46 -1.42 0.18 -1.26 -4.89 117.16 115.53 1m60 n TYR 48 Ca 0.20 0.34 0.06 0.00 1.88 0.00 0.00 57.90 60.38 1m60 n TYR 48 Cb 0.37 -1.47 0.28 0.00 -0.38 0.00 0.00 39.34 38.14 1m60 n TYR 48 CO 0.00 0.00 0.00 2.41 -2.08 0.00 0.00 176.86 177.19 1m60 n THR 49 N -4.06 1.06 0.00 -3.48 -1.04 -1.26 -4.87 114.28 100.62 1m60 n THR 49 Ca -0.00 0.26 0.00 0.00 -2.04 0.00 0.00 64.05 62.27 1m60 n THR 49 Cb 0.63 -1.05 0.00 0.00 -1.82 0.00 0.00 70.33 68.09 1m60 n THR 49 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1m60 n ASP 50 N -1.46 0.00 -0.22 8.00 2.03 -1.26 -4.73 116.55 118.91 1m60 n ASP 50 Ca 0.04 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.29 1m60 n ASP 50 Cb 0.14 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.54 1m60 n ASP 50 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1m60 h ALA 51 N 0.00 -0.07 -2.54 -1.67 0.00 -1.89 0.53 119.26 113.61 1m60 h ALA 51 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1m60 h ALA 51 Cb 0.00 0.83 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1m60 h ALA 51 CO 0.00 -0.70 0.00 0.09 0.00 0.00 0.00 179.25 178.64 1m60 n ASN 52 N -5.43 0.00 0.00 0.00 4.13 -1.26 -2.10 115.26 110.59 1m60 n ASN 52 Ca 0.04 0.57 0.00 0.00 1.68 0.00 0.00 54.58 56.87 1m60 n ASN 52 Cb 0.36 -0.08 0.00 0.00 -1.54 0.00 0.00 39.78 38.52 1m60 n ASN 52 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 1m60 n LYS 53 N -0.73 0.00 0.09 3.52 3.00 -1.24 -0.82 118.16 121.98 1m60 n LYS 53 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 58.31 58.25 1m60 n LYS 53 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 35.03 35.08 1m60 n LYS 53 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.40 176.49 1m60 h ASN 54 N 0.00 0.22 -0.88 3.14 2.35 0.63 -3.16 115.58 117.87 1m60 h ASN 54 Ca 0.00 -0.15 0.08 0.00 -0.55 0.00 0.00 56.30 55.67 1m60 h ASN 54 Cb 0.00 -0.06 -0.06 0.00 0.05 0.00 0.00 38.32 38.25 1m60 h ASN 54 CO 0.00 0.90 0.57 0.11 -1.65 0.00 0.00 177.43 177.36 1m60 h LYS 55 N 0.11 0.91 -4.89 0.81 1.79 -0.74 -3.46 116.57 111.11 1m60 h LYS 55 Ca -0.03 -0.05 -0.41 0.00 -2.18 0.00 0.00 60.65 57.98 1m60 h LYS 55 Cb 1.34 -0.21 0.08 0.00 -1.58 0.00 0.00 32.23 31.86 1m60 h LYS 55 CO 0.11 0.60 -0.63 0.41 -1.08 0.00 0.00 179.45 178.87 1m60 n GLY 56 N -1.41 -0.53 0.00 3.86 0.00 -1.20 -4.99 105.19 100.92 1m60 n GLY 56 Ca 0.14 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.33 1m60 n GLY 56 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1m60 n ILE 57 N -4.65 0.00 -3.81 -0.61 -5.35 -1.26 -4.75 119.36 98.94 1m60 n ILE 57 Ca -0.08 0.00 -0.26 0.00 -0.27 0.00 0.00 62.75 62.14 1m60 n ILE 57 Cb 0.60 -0.71 -0.17 0.00 -1.74 0.00 0.00 39.64 37.62 1m60 n ILE 57 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 1m60 s THR 58 N 0.00 0.71 -0.03 7.28 2.01 -1.26 -4.12 115.64 120.24 1m60 s THR 58 Ca 0.00 -0.36 -0.30 0.00 0.31 0.00 0.00 61.69 61.33 1m60 s THR 58 Cb 0.00 -0.97 -0.05 0.00 0.01 0.00 0.00 72.50 71.49 1m60 s THR 58 CO 0.00 0.08 1.43 0.26 -0.69 0.00 0.00 174.62 175.70 1m60 s TRP 59 N 1.80 2.70 0.28 4.92 0.23 0.26 -4.79 118.94 124.34 1m60 s TRP 59 Ca 0.02 0.73 -0.02 0.00 -2.03 0.00 0.00 56.10 54.80 1m60 s TRP 59 Cb -0.15 -3.69 -0.02 0.00 0.03 0.00 0.00 33.47 29.64 1m60 s TRP 59 CO -0.07 -2.60 0.32 -1.59 0.96 0.00 0.00 176.95 173.97 1m60 s LYS 60 N 2.82 1.58 0.20 4.98 -2.85 -1.26 -0.42 119.74 124.79 1m60 s LYS 60 Ca 0.64 -1.67 -0.19 0.00 -1.00 0.00 0.00 55.97 53.74 1m60 s LYS 60 Cb -0.31 0.37 0.17 0.00 -2.06 0.00 0.00 37.83 36.00 1m60 s LYS 60 CO 0.25 -0.60 1.57 1.05 0.10 0.00 0.00 175.35 177.72 1m60 h GLU 61 N 2.31 -0.09 0.00 1.78 4.11 -1.97 0.47 114.58 121.19 1m60 h GLU 61 Ca -0.30 0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.14 1m60 h GLU 61 Cb 1.24 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1m60 h GLU 61 CO 0.42 -0.06 0.00 0.39 0.07 0.00 0.00 179.01 179.83 1m60 n GLU 62 N -5.45 0.00 -0.31 1.06 1.02 -1.26 -0.62 120.64 115.08 1m60 n GLU 62 Ca 0.07 0.57 0.16 0.00 -0.02 0.00 0.00 57.16 57.94 1m60 n GLU 62 Cb 0.37 -1.39 0.34 0.00 -0.02 0.00 0.00 31.44 30.74 1m60 n GLU 62 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 1m60 h THR 63 N 0.00 0.24 1.00 2.62 1.35 -1.80 0.19 112.91 116.52 1m60 h THR 63 Ca 0.00 -0.06 -0.05 0.00 -0.55 0.00 0.00 66.41 65.75 1m60 h THR 63 Cb 0.00 0.05 0.01 0.00 -1.73 0.00 0.00 68.15 66.48 1m60 h THR 63 CO 0.00 0.03 -0.49 -0.07 -0.25 0.00 0.00 175.52 174.74 1m60 h LEU 64 N 0.18 -1.16 -2.15 3.87 3.38 -0.77 0.10 115.31 118.77 1m60 h LEU 64 Ca 0.61 0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.68 1m60 h LEU 64 Cb 1.31 0.30 -0.01 0.00 0.09 0.00 0.00 40.66 42.36 1m60 h LEU 64 CO -0.70 -0.82 0.18 0.00 0.09 0.00 0.00 178.44 177.19 1m60 h MET 65 N -1.35 0.00 0.34 1.13 -0.00 0.80 0.97 114.93 116.81 1m60 h MET 65 Ca -0.14 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.55 1m60 h MET 65 Cb 1.04 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.64 1m60 h MET 65 CO 0.22 0.00 -0.16 0.93 -0.00 0.00 0.00 176.91 177.90 1m60 h GLU 66 N 0.00 -0.44 -0.92 -0.10 4.39 -0.49 -2.78 114.58 114.24 1m60 h GLU 66 Ca 0.10 0.03 0.16 0.00 0.34 0.00 0.00 59.36 59.99 1m60 h GLU 66 Cb 0.45 0.10 -0.10 0.00 -0.10 0.00 0.00 28.75 29.11 1m60 h GLU 66 CO -0.00 -0.29 0.52 -0.92 -1.16 0.00 0.00 179.01 177.16 1m60 h TYR 67 N -0.95 0.92 0.00 4.33 3.20 -0.45 0.83 116.97 124.84 1m60 h TYR 67 Ca -0.05 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.86 1m60 h TYR 67 Cb 0.35 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.35 1m60 h TYR 67 CO 0.02 0.23 0.00 -0.07 -1.64 0.00 0.00 178.16 176.70 1m60 h LEU 68 N 0.72 0.00 0.20 2.82 3.38 -0.91 0.46 115.31 121.97 1m60 h LEU 68 Ca 0.51 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.47 1m60 h LEU 68 Cb 0.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1m60 h LEU 68 CO -0.36 0.00 -0.09 -0.08 0.09 0.00 0.00 178.44 178.00 1m60 h GLU 69 N 0.00 -0.25 -2.23 1.13 4.22 -0.65 -0.54 114.58 116.25 1m60 h GLU 69 Ca 0.00 0.02 -0.58 0.00 0.08 0.00 0.00 59.36 58.88 1m60 h GLU 69 Cb 0.45 0.06 -0.40 0.00 0.50 0.00 0.00 28.75 29.36 1m60 h GLU 69 CO 0.00 -0.17 -0.90 -1.71 -2.18 0.00 0.00 179.01 174.05 1m60 n ASN 70 N -4.50 1.21 0.10 1.04 2.85 0.07 -4.24 115.26 111.79 1m60 n ASN 70 Ca -0.03 -2.87 -0.02 0.00 -0.11 0.00 0.00 54.58 51.56 1m60 n ASN 70 Cb 0.10 -0.64 0.24 0.00 1.24 0.00 0.00 39.78 40.72 1m60 n ASN 70 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1m60 h PRO 71 N 4.51 0.22 -0.27 1.20 0.13 -1.18 -2.76 132.00 133.84 1m60 h PRO 71 Ca 0.15 -0.10 -0.11 0.00 -0.87 0.00 0.00 66.00 65.07 1m60 h PRO 71 Cb 0.82 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.93 1m60 h PRO 71 CO 0.56 0.59 -0.29 -0.22 -0.23 0.00 0.00 178.00 178.42 1m60 h LYS 72 N 0.18 0.55 -0.12 0.86 3.64 -1.86 0.78 116.57 120.61 1m60 h LYS 72 Ca 0.02 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 1m60 h LYS 72 Cb 0.80 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.59 1m60 h LYS 72 CO 0.06 0.78 0.06 0.87 -2.27 0.00 0.00 179.45 178.96 1m60 h LYS 73 N 0.48 0.13 0.81 1.90 1.79 -1.88 -2.84 116.57 116.97 1m60 h LYS 73 Ca 0.06 -0.01 -0.04 0.00 -2.18 0.00 0.00 60.65 58.49 1m60 h LYS 73 Cb 0.74 -0.03 0.01 0.00 -1.58 0.00 0.00 32.23 31.37 1m60 h LYS 73 CO 0.06 0.09 -0.40 1.88 -1.08 0.00 0.00 179.45 179.99 1m60 h TYR 74 N 0.14 -1.05 -3.41 -1.35 -1.99 -1.46 -3.42 116.97 104.43 1m60 h TYR 74 Ca 0.05 -0.02 -0.60 0.00 2.00 0.00 0.00 58.73 60.15 1m60 h TYR 74 Cb -0.00 0.35 -0.40 0.00 2.00 0.00 0.00 36.73 38.68 1m60 h TYR 74 CO -0.08 -0.64 -0.76 0.42 -0.00 0.00 0.00 178.16 177.10 1m60 s ILE 75 N -5.44 1.33 0.31 -2.88 1.01 0.25 -5.00 121.20 110.77 1m60 s ILE 75 Ca -0.16 -1.51 -0.01 0.00 0.00 0.00 0.00 60.65 58.97 1m60 s ILE 75 Cb 0.02 -1.88 0.27 0.00 0.01 0.00 0.00 42.46 40.87 1m60 s ILE 75 CO 0.49 -0.48 1.97 1.55 0.00 0.00 0.00 174.94 178.47 1m60 h PRO 76 N 7.96 1.04 -0.98 2.79 0.13 -1.74 -0.94 132.00 140.26 1m60 h PRO 76 Ca -0.13 -0.06 -0.27 0.00 -0.87 0.00 0.00 66.00 64.67 1m60 h PRO 76 Cb 1.04 -0.23 -0.16 0.00 0.13 0.00 0.00 31.00 31.77 1m60 h PRO 76 CO 0.46 0.69 0.34 0.41 -0.23 0.00 0.00 178.00 179.67 1m60 n GLY 77 N -1.41 3.33 3.62 1.56 0.00 -1.26 -4.88 105.19 106.15 1m60 n GLY 77 Ca 0.10 -0.61 -0.43 0.00 0.00 0.00 0.00 46.02 45.08 1m60 n GLY 77 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1m60 s THR 78 N -1.88 3.03 -0.06 2.61 -1.32 -0.36 -4.78 115.64 112.88 1m60 s THR 78 Ca 0.32 0.03 -0.00 0.00 -1.21 0.00 0.00 61.69 60.83 1m60 s THR 78 Cb 0.27 -3.03 0.04 0.00 -1.51 0.00 0.00 72.50 68.27 1m60 s THR 78 CO 0.06 -0.01 1.93 1.17 -2.21 0.00 0.00 174.62 175.56 1m60 n LYS 79 N 8.27 1.15 -3.81 7.08 0.00 -1.26 -4.58 118.16 125.02 1m60 n LYS 79 Ca 0.26 -0.30 -0.31 0.00 0.00 0.00 0.00 58.31 57.96 1m60 n LYS 79 Cb 0.43 -1.12 -0.10 0.00 0.00 0.00 0.00 35.03 34.25 1m60 n LYS 79 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.40 177.28 1m60 n MET 80 N 1.21 2.13 -1.78 1.64 1.56 -1.26 -5.02 117.12 115.59 1m60 n MET 80 Ca 0.06 -4.50 -0.19 0.00 -0.27 0.00 0.00 57.70 52.80 1m60 n MET 80 Cb 0.52 -2.33 -0.07 0.00 2.15 0.00 0.00 33.22 33.49 1m60 n MET 80 CO 0.00 0.00 0.00 -1.50 -0.73 0.00 0.00 175.97 173.74 1m60 s ILE 81 N -1.48 3.21 0.06 1.12 1.10 -1.26 -4.83 121.20 119.12 1m60 s ILE 81 Ca 0.26 -0.23 -0.09 0.00 -0.51 0.00 0.00 60.65 60.08 1m60 s ILE 81 Cb -0.05 -3.66 -0.00 0.00 0.15 0.00 0.00 42.46 38.90 1m60 s ILE 81 CO -0.15 -0.43 0.18 0.12 -2.11 0.00 0.00 174.94 172.55 1m60 s PHE 82 N 13.27 0.11 0.13 3.50 5.36 -1.26 -5.08 117.98 134.01 1m60 s PHE 82 Ca 0.81 -0.44 -0.12 0.00 -0.96 0.00 0.00 56.93 56.23 1m60 s PHE 82 Cb -0.08 -0.06 -0.07 0.00 -0.34 0.00 0.00 43.02 42.47 1m60 s PHE 82 CO 0.07 -0.48 1.43 0.00 -1.46 0.00 0.00 175.22 174.79 1m60 h ALA 83 N 3.15 0.49 -1.16 11.12 0.00 -1.96 -3.50 119.26 127.41 1m60 h ALA 83 Ca -0.33 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.10 1m60 h ALA 83 Cb 1.19 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1m60 h ALA 83 CO 0.52 0.64 0.00 0.41 0.00 0.00 0.00 179.25 180.82 1m60 n GLY 84 N 0.26 -1.38 3.15 0.00 0.00 -1.26 -4.89 105.19 101.07 1m60 n GLY 84 Ca -0.04 -0.77 -0.43 0.00 0.00 0.00 0.00 46.02 44.79 1m60 n GLY 84 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1m60 n ILE 85 N 1.21 3.89 -0.25 -0.61 5.41 -0.21 -4.83 119.36 123.97 1m60 n ILE 85 Ca 0.00 -3.88 0.01 0.00 1.00 0.00 0.00 62.75 59.88 1m60 n ILE 85 Cb 0.00 -2.46 0.05 0.00 -0.71 0.00 0.00 39.64 36.52 1m60 n ILE 85 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 1m60 n LYS 86 N 6.43 -0.12 -1.54 0.38 4.81 -1.26 -4.18 118.16 122.68 1m60 n LYS 86 Ca 0.47 1.01 -0.34 0.00 -0.87 0.00 0.00 58.31 58.57 1m60 n LYS 86 Cb 0.41 -1.50 -0.07 0.00 0.02 0.00 0.00 35.03 33.90 1m60 n LYS 86 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1m60 n LYS 87 N -4.99 0.74 -0.32 1.64 5.02 -1.26 -4.84 118.16 114.15 1m60 n LYS 87 Ca 0.08 -0.10 0.05 0.00 -2.02 0.00 0.00 58.31 56.32 1m60 n LYS 87 Cb 0.28 -3.01 0.12 0.00 -0.02 0.00 0.00 35.03 32.41 1m60 n LYS 87 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1m60 n LYS 88 N 8.77 -0.09 -0.18 1.97 4.76 -1.26 -1.12 118.16 131.01 1m60 n LYS 88 Ca 0.45 1.38 -0.01 0.00 -2.87 0.00 0.00 58.31 57.26 1m60 n LYS 88 Cb 0.42 -2.07 0.09 0.00 -1.84 0.00 0.00 35.03 31.63 1m60 n LYS 88 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 1m60 h THR 89 N 0.00 0.75 -0.80 -0.18 1.35 -1.92 0.25 112.91 112.35 1m60 h THR 89 Ca 0.42 -0.11 -0.01 0.00 -0.55 0.00 0.00 66.41 66.15 1m60 h THR 89 Cb 0.64 0.39 -0.04 0.00 -1.73 0.00 0.00 68.15 67.41 1m60 h THR 89 CO -0.91 0.06 0.47 -0.33 -0.25 0.00 0.00 175.52 174.55 1m60 h GLU 90 N 0.33 1.10 -0.40 4.72 5.08 -1.46 -2.07 114.58 121.88 1m60 h GLU 90 Ca 0.28 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 58.49 1m60 h GLU 90 Cb 0.36 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 1m60 h GLU 90 CO -0.31 0.79 0.09 0.00 -1.00 0.00 0.00 179.01 178.57 1m60 h ARG 91 N 1.10 0.65 -0.60 2.33 3.08 -0.48 -2.27 114.38 118.20 1m60 h ARG 91 Ca 0.29 -0.16 0.12 0.00 0.07 0.00 0.00 59.98 60.29 1m60 h ARG 91 Cb -0.01 -0.08 -0.11 0.00 0.08 0.00 0.00 29.97 29.85 1m60 h ARG 91 CO -0.05 0.68 -0.08 0.93 -1.07 0.00 0.00 179.97 180.38 1m60 h GLU 92 N 0.51 0.05 -1.00 0.04 5.08 -0.19 0.25 114.58 119.32 1m60 h GLU 92 Ca 0.13 -0.00 0.14 0.00 -1.00 0.00 0.00 59.36 58.63 1m60 h GLU 92 Cb 0.33 -0.01 -0.09 0.00 0.50 0.00 0.00 28.75 29.48 1m60 h GLU 92 CO 0.00 0.03 0.62 -0.44 -1.00 0.00 0.00 179.01 178.22 1m60 h ASP 93 N 0.05 0.87 -0.01 1.42 3.32 -1.02 0.23 116.42 121.28 1m60 h ASP 93 Ca 0.30 0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.41 1m60 h ASP 93 Cb 0.47 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.92 1m60 h ASP 93 CO -0.57 0.41 -0.01 -0.07 -1.72 0.00 0.00 179.24 177.29 1m60 h LEU 94 N 0.91 0.02 -0.96 1.55 3.38 -0.08 -1.50 115.31 118.62 1m60 h LEU 94 Ca 0.52 -0.49 0.05 0.00 0.09 0.00 0.00 57.88 58.06 1m60 h LEU 94 Cb 0.63 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.31 1m60 h LEU 94 CO -0.31 0.50 0.62 0.40 0.09 0.00 0.00 178.44 179.74 1m60 h ILE 95 N -0.47 1.12 0.34 1.22 1.08 -0.15 0.22 117.51 120.87 1m60 h ILE 95 Ca 0.00 -0.40 -0.00 0.00 -0.39 0.00 0.00 64.86 64.07 1m60 h ILE 95 Cb 0.50 -0.14 -0.03 0.00 -3.07 0.00 0.00 36.82 34.08 1m60 h ILE 95 CO 0.00 0.21 -0.39 0.00 -0.69 0.00 0.00 178.15 177.29 1m60 h ALA 96 N 1.42 -0.81 -0.74 1.87 0.00 -0.49 0.11 119.26 120.62 1m60 h ALA 96 Ca 0.40 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.20 1m60 h ALA 96 Cb 0.09 0.57 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 1m60 h ALA 96 CO -0.15 -1.00 0.49 -0.92 0.00 0.00 0.00 179.25 177.67 1m60 h TYR 97 N -0.76 0.92 -0.77 0.00 3.20 -0.48 0.01 116.97 119.10 1m60 h TYR 97 Ca -0.02 0.02 0.17 0.00 3.14 0.00 0.00 58.73 62.04 1m60 h TYR 97 Cb 0.70 -0.31 -0.12 0.00 1.54 0.00 0.00 36.73 38.54 1m60 h TYR 97 CO -0.24 0.57 0.18 -0.07 -1.64 0.00 0.00 178.16 176.96 1m60 h LEU 98 N 0.99 -0.01 0.00 2.82 4.07 -0.37 0.19 115.31 122.99 1m60 h LEU 98 Ca 0.28 0.16 0.00 0.00 0.08 0.00 0.00 57.88 58.40 1m60 h LEU 98 Cb -0.09 0.22 0.00 0.00 1.08 0.00 0.00 40.66 41.87 1m60 h LEU 98 CO -0.07 -0.07 0.00 0.29 -1.08 0.00 0.00 178.44 177.52 1m60 n LYS 99 N -5.18 0.08 -2.67 1.13 5.02 0.37 0.12 118.16 117.04 1m60 n LYS 99 Ca 0.15 0.25 -0.16 0.00 -2.02 0.00 0.00 58.31 56.54 1m60 n LYS 99 Cb 0.50 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 34.02 1m60 n LYS 99 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1m60 n LYS 100 N -1.36 1.87 0.18 1.97 5.02 0.54 -4.17 118.16 122.21 1m60 n LYS 100 Ca 0.03 -3.69 0.00 0.00 -2.02 0.00 0.00 58.31 52.63 1m60 n LYS 100 Cb 0.08 -1.61 0.00 0.00 -0.02 0.00 0.00 35.03 33.48 1m60 n LYS 100 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1m60 n ALA 101 N -0.16 0.74 -1.41 7.82 0.00 -0.08 -4.86 120.51 122.57 1m60 n ALA 101 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.34 1m60 n ALA 101 Cb 0.74 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.22 1m60 n ALA 101 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1m60 n THR 102 N -3.31 3.35 0.00 0.00 -2.24 0.12 -4.45 114.28 107.74 1m60 n THR 102 Ca 0.00 -2.97 0.00 0.00 -2.27 0.00 0.00 64.05 58.81 1m60 n THR 102 Cb 0.00 -1.33 0.00 0.00 -2.10 0.00 0.00 70.33 66.90 1m60 n THR 102 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1m60 n ASN 103 N -0.08 0.00 0.00 3.42 5.15 -1.20 -0.65 115.26 121.90 1m60 n ASN 103 Ca 0.50 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.48 1m60 n ASN 103 Cb 0.51 0.27 0.00 0.00 -0.53 0.00 0.00 39.78 40.04 1m60 n ASN 103 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87