#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aiu s ASP 3 N 0.00 4.90 0.39 1.61 2.15 -1.26 -4.96 116.67 119.51 2aiu s ASP 3 Ca 0.00 -1.91 0.07 0.00 0.43 0.00 0.00 52.55 51.14 2aiu s ASP 3 Cb 0.00 -1.70 0.81 0.00 -0.30 0.00 0.00 42.92 41.73 2aiu s ASP 3 CO 0.00 -0.39 1.99 0.00 -0.17 0.00 0.00 175.17 176.60 2aiu h ALA 4 N 7.82 1.60 -0.38 3.66 0.00 -1.88 -0.16 119.26 129.93 2aiu h ALA 4 Ca -0.11 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 2aiu h ALA 4 Cb 1.04 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2aiu h ALA 4 CO 0.57 0.31 0.04 0.93 0.00 0.00 0.00 179.25 181.10 2aiu h GLU 5 N 0.45 0.64 -0.51 0.00 4.39 -1.94 0.23 114.58 117.84 2aiu h GLU 5 Ca 0.11 -0.19 -0.08 0.00 0.34 0.00 0.00 59.36 59.54 2aiu h GLU 5 Cb 0.12 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.68 2aiu h GLU 5 CO -0.01 0.72 -0.00 0.00 -1.16 0.00 0.00 179.01 178.56 2aiu h ALA 6 N 0.90 1.03 -0.89 3.43 0.00 -1.81 -2.94 119.26 118.98 2aiu h ALA 6 Ca 0.11 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 2aiu h ALA 6 Cb 0.40 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 2aiu h ALA 6 CO 0.01 0.60 0.48 0.78 0.00 0.00 0.00 179.25 181.12 2aiu h GLY 7 N 0.99 1.34 0.75 0.00 0.00 -0.51 -2.30 103.07 103.34 2aiu h GLY 7 Ca 0.15 -0.62 0.06 0.00 0.00 0.00 0.00 47.33 46.92 2aiu h GLY 7 CO 0.02 0.59 0.54 1.70 0.00 0.00 0.00 176.54 179.40 2aiu h LYS 8 N 1.25 0.97 -0.33 4.80 3.64 -0.37 -0.48 116.57 126.05 2aiu h LYS 8 Ca 0.31 -0.06 -0.15 0.00 -1.27 0.00 0.00 60.65 59.49 2aiu h LYS 8 Cb 0.04 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.63 2aiu h LYS 8 CO -0.05 0.64 -0.38 0.87 -2.27 0.00 0.00 179.45 178.27 2aiu h LYS 9 N 1.00 0.78 -0.77 1.90 1.57 -1.43 -2.28 116.57 117.34 2aiu h LYS 9 Ca 0.37 -0.40 -0.05 0.00 -1.87 0.00 0.00 60.65 58.70 2aiu h LYS 9 Cb 0.14 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 2aiu h LYS 9 CO -0.16 1.02 0.28 0.82 -0.57 0.00 0.00 179.45 180.85 2aiu h ILE 10 N 0.64 1.26 -0.41 1.86 2.04 -0.92 -1.80 117.51 120.19 2aiu h ILE 10 Ca 0.06 -0.85 0.02 0.00 1.00 0.00 0.00 64.86 65.08 2aiu h ILE 10 Cb 0.93 0.37 -0.03 0.00 -0.74 0.00 0.00 36.82 37.35 2aiu h ILE 10 CO 0.09 0.34 0.25 0.15 0.00 0.00 0.00 178.15 178.98 2aiu h PHE 11 N 1.13 0.46 -0.50 1.37 3.57 -0.77 -0.12 116.94 122.09 2aiu h PHE 11 Ca 0.25 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.73 2aiu h PHE 11 Cb 0.25 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.82 2aiu h PHE 11 CO 0.02 0.27 0.16 0.28 -2.23 0.00 0.00 178.31 176.81 2aiu h VAL 12 N 0.50 1.23 -0.61 1.41 2.07 -1.23 0.31 116.25 119.94 2aiu h VAL 12 Ca 0.16 -0.76 -0.10 0.00 0.82 0.00 0.00 66.70 66.82 2aiu h VAL 12 Cb -0.01 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 2aiu h VAL 12 CO -0.07 0.28 -0.01 -0.61 0.02 0.00 0.00 177.57 177.18 2aiu h GLN 13 N 0.67 1.08 0.00 1.57 4.15 -0.99 -3.36 115.11 118.23 2aiu h GLN 13 Ca 0.16 -0.35 0.00 0.00 0.77 0.00 0.00 58.65 59.23 2aiu h GLN 13 Cb 0.27 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 27.86 2aiu h GLN 13 CO -0.01 1.06 -0.81 1.63 -1.93 0.00 0.00 178.83 178.78 2aiu n LYS 14 N -4.18 2.27 -0.00 1.69 5.02 -0.09 -4.88 118.16 118.00 2aiu n LYS 14 Ca 0.03 -0.02 -0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2aiu n LYS 14 Cb 0.36 -0.94 -0.00 0.00 -0.02 0.00 0.00 35.03 34.42 2aiu n LYS 14 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2aiu h ALA 16 N 0.02 2.11 -0.04 0.00 0.00 -1.02 -1.13 119.26 119.20 2aiu h ALA 16 Ca -0.02 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.89 2aiu h ALA 16 Cb 1.04 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 2aiu h ALA 16 CO -0.00 -0.40 0.03 -0.56 0.00 0.00 0.00 179.25 178.32 2aiu h GLN 17 N 0.00 0.00 -0.00 0.00 3.07 -1.86 -3.08 115.11 113.25 2aiu h GLN 17 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.88 2aiu h GLN 17 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.20 2aiu h GLN 17 CO -0.00 0.00 -0.06 0.00 0.09 0.00 0.00 178.83 178.86 2aiu s HIS 19 N -0.89 0.20 0.27 0.00 3.76 -0.69 -0.58 115.29 117.35 2aiu s HIS 19 Ca 0.01 -0.28 0.09 0.00 -0.15 0.00 0.00 55.06 54.73 2aiu s HIS 19 Cb 0.01 -0.14 -0.04 0.00 1.11 0.00 0.00 32.58 33.52 2aiu s HIS 19 CO 0.06 -0.09 0.02 0.95 -0.85 0.00 0.00 174.74 174.83 2aiu s THR 20 N -0.77 3.57 0.00 1.30 -4.23 -1.26 -4.25 115.64 109.99 2aiu s THR 20 Ca -0.08 -1.85 0.00 0.00 -1.18 0.00 0.00 61.69 58.59 2aiu s THR 20 Cb -0.05 -2.92 0.00 0.00 1.34 0.00 0.00 72.50 70.87 2aiu s THR 20 CO -0.00 -0.37 0.00 1.33 -0.54 0.00 0.00 174.62 175.04 2aiu n VAL 21 N -0.94 0.00 -1.53 2.29 0.24 -1.26 -0.95 118.33 116.18 2aiu n VAL 21 Ca -0.07 -0.13 -0.31 0.00 -2.04 0.00 0.00 64.34 61.80 2aiu n VAL 21 Cb 0.59 0.59 0.06 0.00 -1.47 0.00 0.00 33.84 33.61 2aiu n VAL 21 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 2aiu s GLU 22 N -1.24 2.74 0.17 7.34 1.03 -1.26 -3.42 118.70 124.06 2aiu s GLU 22 Ca 0.00 0.94 -0.31 0.00 0.03 0.00 0.00 54.97 55.63 2aiu s GLU 22 Cb 0.00 -1.97 -0.10 0.00 -0.80 0.00 0.00 34.13 31.26 2aiu s GLU 22 CO 0.00 -1.23 1.54 0.21 -1.33 0.00 0.00 175.26 174.45 2aiu s LYS 23 N -5.04 4.23 0.00 -4.83 2.20 -1.26 -1.63 119.74 113.41 2aiu s LYS 23 Ca 0.59 2.34 0.00 0.00 -0.36 0.00 0.00 55.97 58.54 2aiu s LYS 23 Cb -0.14 -3.15 0.00 0.00 -1.51 0.00 0.00 37.83 33.02 2aiu s LYS 23 CO 0.55 -0.57 0.00 0.41 -0.36 0.00 0.00 175.35 175.38 2aiu n GLY 24 N 3.53 0.95 3.72 5.54 0.00 -1.26 -5.02 105.19 112.65 2aiu n GLY 24 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 2aiu n GLY 24 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2aiu s GLY 25 N -2.00 2.17 0.44 -0.02 0.00 -0.64 -4.97 107.32 102.30 2aiu s GLY 25 Ca 0.00 0.76 -0.23 0.00 0.00 0.00 0.00 44.72 45.25 2aiu s GLY 25 CO 0.00 1.16 1.12 0.54 0.00 0.00 0.00 173.10 175.92 2aiu s LYS 26 N -4.12 3.90 0.35 2.90 1.02 -1.26 -4.74 119.74 117.79 2aiu s LYS 26 Ca 0.72 1.66 -0.25 0.00 0.02 0.00 0.00 55.97 58.11 2aiu s LYS 26 Cb -0.27 -2.44 -0.10 0.00 -0.52 0.00 0.00 37.83 34.51 2aiu s LYS 26 CO 0.48 -0.40 0.97 -1.01 -0.92 0.00 0.00 175.35 174.46 2aiu s HIS 27 N -1.61 3.57 0.00 3.18 3.76 -1.26 -4.13 115.29 118.80 2aiu s HIS 27 Ca 0.62 1.74 0.00 0.00 -0.15 0.00 0.00 55.06 57.26 2aiu s HIS 27 Cb -0.26 -2.96 0.00 0.00 1.11 0.00 0.00 32.58 30.48 2aiu s HIS 27 CO 0.31 0.01 0.00 1.63 -0.85 0.00 0.00 174.74 175.84 2aiu n LYS 28 N 0.32 0.75 -0.36 1.40 5.02 -1.26 -4.95 118.16 119.08 2aiu n LYS 28 Ca 0.03 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.30 2aiu n LYS 28 Cb 0.50 0.00 0.11 0.00 -0.02 0.00 0.00 35.03 35.62 2aiu n LYS 28 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 2aiu h THR 29 N 0.00 1.24 -1.61 -0.18 2.02 -1.84 -3.43 112.91 109.11 2aiu h THR 29 Ca 0.00 -0.45 -0.52 0.00 0.77 0.00 0.00 66.41 66.21 2aiu h THR 29 Cb 0.00 -0.18 -0.05 0.00 -1.74 0.00 0.00 68.15 66.18 2aiu h THR 29 CO 0.00 0.24 -0.44 -0.83 0.37 0.00 0.00 175.52 174.86 2aiu s GLY 30 N -3.09 2.14 0.44 2.16 0.00 0.25 -5.07 107.32 104.15 2aiu s GLY 30 Ca -0.13 -1.93 -0.24 0.00 0.00 0.00 0.00 44.72 42.43 2aiu s GLY 30 CO 0.81 -1.76 1.15 2.56 0.00 0.00 0.00 173.10 175.86 2aiu s PRO 31 N -4.01 3.88 0.40 2.90 0.04 -1.26 -4.67 135.00 132.27 2aiu s PRO 31 Ca 0.44 1.75 -0.27 0.00 0.04 0.00 0.00 61.00 62.96 2aiu s PRO 31 Cb -0.01 -2.49 -0.10 0.00 0.04 0.00 0.00 34.50 31.94 2aiu s PRO 31 CO 0.25 -0.44 1.48 1.21 0.04 0.00 0.00 177.00 179.54 2aiu s ASN 32 N -1.34 6.22 -0.02 6.66 3.84 -1.26 -4.43 114.94 124.61 2aiu s ASN 32 Ca 0.61 3.04 0.21 0.00 0.21 0.00 0.00 52.86 56.93 2aiu s ASN 32 Cb -0.28 -2.67 0.64 0.00 -0.55 0.00 0.00 41.25 38.40 2aiu s ASN 32 CO 0.35 -0.96 1.54 0.18 -2.79 0.00 0.00 177.10 175.42 2aiu n LEU 33 N 0.29 4.07 -4.75 3.21 4.77 -0.13 -4.89 117.00 119.58 2aiu n LEU 33 Ca 0.02 -2.09 -0.41 0.00 -0.03 0.00 0.00 56.01 53.49 2aiu n LEU 33 Cb 0.40 -0.49 -0.02 0.00 -2.33 0.00 0.00 43.42 40.97 2aiu n LEU 33 CO 0.63 0.94 1.23 0.86 -1.33 0.00 0.00 177.39 179.72 2aiu s TRP 34 N -1.17 2.80 0.00 -1.77 -0.00 -1.22 -2.10 118.94 115.48 2aiu s TRP 34 Ca 0.48 0.80 0.00 0.00 -0.00 0.00 0.00 56.10 57.39 2aiu s TRP 34 Cb 0.26 -4.03 0.00 0.00 -0.00 0.00 0.00 33.47 29.70 2aiu s TRP 34 CO 0.31 -3.47 0.00 0.41 -0.00 0.00 0.00 176.95 174.20 2aiu n GLY 35 N 2.25 0.76 0.30 5.86 0.00 0.04 -4.97 105.19 109.43 2aiu n GLY 35 Ca 0.08 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.14 2aiu n GLY 35 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2aiu h LEU 36 N 0.00 0.55 -9.71 0.99 5.85 -1.64 -3.41 115.31 107.94 2aiu h LEU 36 Ca 0.00 0.07 -0.52 0.00 0.84 0.00 0.00 57.88 58.27 2aiu h LEU 36 Cb 0.00 -0.03 0.03 0.00 0.37 0.00 0.00 40.66 41.03 2aiu h LEU 36 CO 0.00 0.29 0.58 -0.36 -0.34 0.00 0.00 178.44 178.61 2aiu s PHE 37 N -6.02 3.36 0.00 1.25 0.40 -1.26 -2.45 117.98 113.26 2aiu s PHE 37 Ca -0.12 1.40 0.00 0.00 -0.60 0.00 0.00 56.93 57.61 2aiu s PHE 37 Cb 0.20 -3.49 0.00 0.00 0.51 0.00 0.00 43.02 40.24 2aiu s PHE 37 CO 0.78 -1.38 0.00 0.41 0.70 0.00 0.00 175.22 175.73 2aiu n GLY 38 N 1.98 0.47 3.54 4.36 0.00 0.67 -5.01 105.19 111.19 2aiu n GLY 38 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 2aiu n GLY 38 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2aiu s ARG 39 N -0.28 2.28 0.68 1.61 3.52 -1.02 -4.84 118.95 120.90 2aiu s ARG 39 Ca 0.00 -0.89 -0.15 0.00 -0.13 0.00 0.00 55.73 54.56 2aiu s ARG 39 Cb 0.00 -2.34 0.01 0.00 -1.56 0.00 0.00 34.95 31.06 2aiu s ARG 39 CO 0.00 0.56 1.14 0.15 -0.81 0.00 0.00 175.30 176.34 2aiu s LYS 40 N -1.61 2.56 0.62 5.12 1.02 -1.26 -1.26 119.74 124.94 2aiu s LYS 40 Ca 0.17 1.52 -0.19 0.00 0.02 0.00 0.00 55.97 57.50 2aiu s LYS 40 Cb -0.11 -1.91 -0.02 0.00 -0.52 0.00 0.00 37.83 35.27 2aiu s LYS 40 CO 0.08 -1.46 1.27 0.25 -0.92 0.00 0.00 175.35 174.58 2aiu n THR 41 N -2.52 4.61 -3.21 2.17 -2.24 -0.75 -3.86 114.28 108.49 2aiu n THR 41 Ca 0.11 -0.50 -0.16 0.00 -2.27 0.00 0.00 64.05 61.24 2aiu n THR 41 Cb 0.51 -1.49 0.06 0.00 -2.10 0.00 0.00 70.33 67.31 2aiu n THR 41 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2aiu n GLY 42 N 0.93 -0.12 0.04 3.38 0.00 -1.21 -4.66 105.19 103.55 2aiu n GLY 42 Ca 0.15 -0.03 0.01 0.00 0.00 0.00 0.00 46.02 46.15 2aiu n GLY 42 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2aiu n GLN 43 N -3.59 1.88 -1.83 1.61 6.02 -1.25 -4.78 117.38 115.44 2aiu n GLN 43 Ca -0.05 -1.39 -0.42 0.00 -0.01 0.00 0.00 57.00 55.14 2aiu n GLN 43 Cb 0.56 -0.92 -0.02 0.00 1.02 0.00 0.00 30.24 30.88 2aiu n GLN 43 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2aiu s ALA 44 N -0.97 3.79 0.26 -1.58 0.00 -1.26 -4.89 121.76 117.11 2aiu s ALA 44 Ca 0.04 1.50 -0.30 0.00 0.00 0.00 0.00 51.96 53.20 2aiu s ALA 44 Cb 0.04 -3.64 -0.11 0.00 0.00 0.00 0.00 23.12 19.41 2aiu s ALA 44 CO 0.00 -0.89 1.55 -2.14 0.00 0.00 0.00 175.76 174.28 2aiu s PRO 45 N 0.29 4.18 0.00 0.00 0.02 -1.26 -3.09 135.00 135.14 2aiu s PRO 45 Ca 0.67 2.47 0.00 0.00 0.02 0.00 0.00 61.00 64.16 2aiu s PRO 45 Cb -0.47 -3.06 0.00 0.00 0.02 0.00 0.00 34.50 30.99 2aiu s PRO 45 CO 0.40 -0.57 0.00 0.41 -0.33 0.00 0.00 177.00 176.91 2aiu n GLY 46 N 2.42 0.41 3.74 0.52 0.00 -1.26 -5.01 105.19 106.01 2aiu n GLY 46 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 2aiu n GLY 46 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2aiu s PHE 47 N -1.93 3.30 -0.66 1.61 5.36 -1.18 -5.06 117.98 119.43 2aiu s PHE 47 Ca 0.00 0.30 -0.21 0.00 -0.96 0.00 0.00 56.93 56.06 2aiu s PHE 47 Cb 0.00 -1.84 0.09 0.00 -0.34 0.00 0.00 43.02 40.93 2aiu s PHE 47 CO 0.00 0.55 0.87 -1.12 -1.46 0.00 0.00 175.22 174.06 2aiu s SER 48 N -0.91 6.22 0.54 6.13 0.01 -1.26 -4.92 113.70 119.51 2aiu s SER 48 Ca 0.14 -1.28 -0.05 0.00 1.31 0.00 0.00 55.95 56.07 2aiu s SER 48 Cb -0.12 -2.37 -0.00 0.00 0.21 0.00 0.00 66.02 63.74 2aiu s SER 48 CO 0.03 -1.27 0.84 -0.31 0.41 0.00 0.00 173.24 172.94 2aiu s TYR 49 N 3.35 3.32 0.69 2.43 2.02 -1.26 -5.08 117.35 122.81 2aiu s TYR 49 Ca 0.18 0.61 -0.11 0.00 -0.37 0.00 0.00 57.07 57.39 2aiu s TYR 49 Cb -0.19 -2.57 0.01 0.00 -0.40 0.00 0.00 41.96 38.80 2aiu s TYR 49 CO 0.07 -0.63 1.06 0.95 -1.57 0.00 0.00 175.55 175.43 2aiu s THR 50 N -2.87 3.93 0.37 -0.71 -4.23 -1.26 -4.89 115.64 105.98 2aiu s THR 50 Ca 0.52 0.67 0.05 0.00 -1.18 0.00 0.00 61.69 61.74 2aiu s THR 50 Cb -0.10 -3.35 0.28 0.00 1.34 0.00 0.00 72.50 70.66 2aiu s THR 50 CO 0.44 -0.78 2.00 0.44 -0.54 0.00 0.00 174.62 176.18 2aiu h ASP 51 N -0.58 0.65 -0.25 3.99 3.32 -1.98 -1.66 116.42 119.90 2aiu h ASP 51 Ca -0.44 -0.01 0.01 0.00 0.02 0.00 0.00 57.03 56.60 2aiu h ASP 51 Cb 1.21 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.60 2aiu h ASP 51 CO 0.56 0.45 0.16 0.00 -1.72 0.00 0.00 179.24 178.69 2aiu h ALA 52 N 1.63 0.32 -0.33 3.45 0.00 -1.87 0.20 119.26 122.66 2aiu h ALA 52 Ca 0.25 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 2aiu h ALA 52 Cb 0.07 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2aiu h ALA 52 CO -0.07 -0.22 -0.15 -0.97 0.00 0.00 0.00 179.25 177.84 2aiu h ASN 53 N 0.33 0.58 0.11 0.00 -0.00 -1.81 -1.79 115.58 113.00 2aiu h ASN 53 Ca 0.10 -0.17 -0.13 0.00 -0.00 0.00 0.00 56.30 56.10 2aiu h ASN 53 Cb -0.03 -0.16 -0.01 0.00 -0.00 0.00 0.00 38.32 38.13 2aiu h ASN 53 CO -0.03 0.76 -0.44 0.11 -0.00 0.00 0.00 177.43 177.82 2aiu h LYS 54 N 0.54 0.41 -0.01 6.67 1.57 -0.77 -3.21 116.57 121.76 2aiu h LYS 54 Ca 0.09 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 2aiu h LYS 54 Cb 0.57 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.89 2aiu h LYS 54 CO 0.04 0.78 -0.37 0.09 -0.57 0.00 0.00 179.45 179.42 2aiu n ASN 55 N -4.00 1.39 -0.20 0.86 3.02 0.66 -4.43 115.26 112.56 2aiu n ASN 55 Ca -0.02 -1.12 0.01 0.00 -0.03 0.00 0.00 54.58 53.43 2aiu n ASN 55 Cb 0.52 0.29 0.11 0.00 -0.61 0.00 0.00 39.78 40.10 2aiu n ASN 55 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 2aiu h LYS 56 N 1.61 0.21 0.00 3.52 1.63 -1.40 -3.46 116.57 118.68 2aiu h LYS 56 Ca 0.00 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 2aiu h LYS 56 Cb 0.60 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.18 2aiu h LYS 56 CO 0.00 0.14 0.00 0.41 -3.45 0.00 0.00 179.45 176.55 2aiu n GLY 57 N -1.33 0.93 3.93 5.01 0.00 -1.26 -5.05 105.19 107.41 2aiu n GLY 57 Ca 0.09 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.86 2aiu n GLY 57 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2aiu s VAL 58 N -2.36 2.65 -0.21 1.61 -7.23 -1.26 -4.82 120.40 108.77 2aiu s VAL 58 Ca 0.00 -0.20 -0.11 0.00 -1.81 0.00 0.00 61.98 59.87 2aiu s VAL 58 Cb 0.00 -3.12 -0.05 0.00 0.56 0.00 0.00 36.38 33.77 2aiu s VAL 58 CO 0.00 -0.13 0.16 -0.63 -0.31 0.00 0.00 175.10 174.20 2aiu s ILE 59 N -3.17 5.37 0.17 -0.62 1.01 -1.26 -1.81 121.20 120.88 2aiu s ILE 59 Ca 0.58 0.23 -0.30 0.00 0.00 0.00 0.00 60.65 61.16 2aiu s ILE 59 Cb -0.11 -3.50 -0.08 0.00 0.01 0.00 0.00 42.46 38.78 2aiu s ILE 59 CO 0.45 0.39 1.29 0.26 0.00 0.00 0.00 174.94 177.33 2aiu s TRP 60 N 0.70 3.30 0.26 3.97 0.23 -0.39 -4.70 118.94 122.31 2aiu s TRP 60 Ca 0.09 1.22 -0.18 0.00 -2.03 0.00 0.00 56.10 55.20 2aiu s TRP 60 Cb -0.12 -3.57 0.07 0.00 0.03 0.00 0.00 33.47 29.87 2aiu s TRP 60 CO 0.02 -1.79 0.89 -1.13 0.96 0.00 0.00 176.95 175.90 2aiu n SER 61 N 2.97 -1.87 -0.10 2.95 3.41 -1.26 -0.24 113.62 119.48 2aiu n SER 61 Ca 0.07 -2.12 -0.06 0.00 -0.26 0.00 0.00 58.87 56.49 2aiu n SER 61 Cb 0.43 3.07 0.00 0.00 -0.26 0.00 0.00 64.21 67.45 2aiu n SER 61 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2aiu h GLU 62 N 0.00 -0.16 -0.24 4.33 5.08 -1.98 -0.65 114.58 120.96 2aiu h GLU 62 Ca -0.28 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.11 2aiu h GLU 62 Cb 1.15 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.41 2aiu h GLU 62 CO 0.37 -0.10 0.07 1.49 -1.00 0.00 0.00 179.01 179.84 2aiu h GLU 63 N -0.16 0.18 -0.13 2.33 4.81 -1.97 0.40 114.58 120.04 2aiu h GLU 63 Ca 0.18 -0.01 -0.16 0.00 -0.13 0.00 0.00 59.36 59.24 2aiu h GLU 63 Cb 0.44 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 2aiu h GLU 63 CO -0.46 0.12 -0.59 1.79 -0.73 0.00 0.00 179.01 179.14 2aiu h THR 64 N 0.18 1.35 -0.20 0.32 1.35 -1.77 -2.92 112.91 111.22 2aiu h THR 64 Ca 0.11 -1.89 -0.12 0.00 -0.55 0.00 0.00 66.41 63.95 2aiu h THR 64 Cb 0.08 1.89 -0.01 0.00 -1.73 0.00 0.00 68.15 68.38 2aiu h THR 64 CO -0.12 0.58 -0.39 -0.07 -0.25 0.00 0.00 175.52 175.27 2aiu h LEU 65 N 0.32 0.48 -0.84 3.87 3.38 -0.97 0.08 115.31 121.63 2aiu h LEU 65 Ca -0.00 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 2aiu h LEU 65 Cb 1.12 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.69 2aiu h LEU 65 CO 0.10 0.83 0.52 0.24 0.09 0.00 0.00 178.44 180.22 2aiu h MET 66 N 0.38 1.13 -0.02 1.13 2.86 -0.74 -0.67 114.93 119.00 2aiu h MET 66 Ca 0.04 -0.09 -0.04 0.00 -2.06 0.00 0.00 59.70 57.55 2aiu h MET 66 Cb 0.85 -0.24 0.00 0.00 0.06 0.00 0.00 31.60 32.27 2aiu h MET 66 CO 0.07 0.78 -0.13 1.49 1.06 0.00 0.00 176.91 180.18 2aiu h GLU 67 N 1.15 0.13 -0.02 1.72 4.81 -1.31 -3.11 114.58 117.94 2aiu h GLU 67 Ca 0.30 -0.11 0.03 0.00 -0.13 0.00 0.00 59.36 59.45 2aiu h GLU 67 Cb -0.07 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.30 2aiu h GLU 67 CO -0.06 0.77 -0.16 -0.92 -0.73 0.00 0.00 179.01 177.91 2aiu h TYR 68 N -0.48 -0.40 0.00 0.92 3.20 -0.91 -2.57 116.97 116.73 2aiu h TYR 68 Ca -0.01 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.88 2aiu h TYR 68 Cb 0.79 0.18 0.00 0.00 1.54 0.00 0.00 36.73 39.24 2aiu h TYR 68 CO 0.15 -0.23 0.00 -0.07 -1.64 0.00 0.00 178.16 176.37 2aiu h LEU 69 N -0.25 0.00 -0.62 2.82 3.38 -1.22 -0.89 115.31 118.53 2aiu h LEU 69 Ca 0.06 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.88 2aiu h LEU 69 Cb 0.32 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 2aiu h LEU 69 CO -0.16 0.00 -0.54 -0.08 0.09 0.00 0.00 178.44 177.75 2aiu h GLU 70 N 0.00 0.42 -0.96 1.13 4.22 -1.38 0.22 114.58 118.23 2aiu h GLU 70 Ca 0.00 -0.26 -0.06 0.00 0.08 0.00 0.00 59.36 59.12 2aiu h GLU 70 Cb 0.22 0.03 -0.19 0.00 0.50 0.00 0.00 28.75 29.31 2aiu h GLU 70 CO 0.00 0.86 -0.44 1.21 -2.18 0.00 0.00 179.01 178.46 2aiu s ASN 71 N -6.90 -1.47 0.18 1.04 3.04 -0.77 -3.93 114.94 106.13 2aiu s ASN 71 Ca -0.06 -0.84 -0.17 0.00 0.04 0.00 0.00 52.86 51.82 2aiu s ASN 71 Cb 0.12 1.88 0.13 0.00 -1.54 0.00 0.00 41.25 41.84 2aiu s ASN 71 CO 0.82 -0.15 1.64 -0.65 -3.04 0.00 0.00 177.10 175.72 2aiu h PRO 72 N 6.71 -0.07 0.00 0.43 0.11 -1.39 -2.21 132.00 135.58 2aiu h PRO 72 Ca 0.05 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.14 2aiu h PRO 72 Cb 1.18 0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 2aiu h PRO 72 CO 0.08 -0.05 -0.08 1.57 -0.21 0.00 0.00 178.00 179.32 2aiu h LYS 73 N -0.07 0.00 -0.23 1.05 2.10 -1.83 0.18 116.57 117.77 2aiu h LYS 73 Ca 0.22 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.75 2aiu h LYS 73 Cb 0.41 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.74 2aiu h LYS 73 CO -0.51 0.08 -0.34 -0.22 -2.00 0.00 0.00 179.45 176.46 2aiu h LYS 74 N 0.00 0.63 -0.24 0.07 3.64 -1.79 -2.17 116.57 116.71 2aiu h LYS 74 Ca -0.00 -0.37 -0.18 0.00 -1.27 0.00 0.00 60.65 58.82 2aiu h LYS 74 Cb 0.67 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.52 2aiu h LYS 74 CO 0.01 0.98 -0.58 -0.92 -2.27 0.00 0.00 179.45 176.68 2aiu h TYR 75 N 0.33 0.97 -2.64 1.91 3.20 -1.06 -3.37 116.97 116.30 2aiu h TYR 75 Ca 0.02 -0.35 -0.60 0.00 3.14 0.00 0.00 58.73 60.94 2aiu h TYR 75 Cb 0.92 -0.18 -0.40 0.00 1.54 0.00 0.00 36.73 38.61 2aiu h TYR 75 CO 0.08 1.16 -0.76 -0.89 -1.64 0.00 0.00 178.16 176.11 2aiu n ILE 76 N -3.98 0.52 -1.72 1.81 5.41 0.02 -5.07 119.36 116.36 2aiu n ILE 76 Ca -0.04 -4.33 -0.43 0.00 1.00 0.00 0.00 62.75 58.95 2aiu n ILE 76 Cb 0.64 -1.97 -0.02 0.00 -0.71 0.00 0.00 39.64 37.57 2aiu n ILE 76 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 2aiu n PRO 77 N 2.10 2.58 -0.28 0.38 -0.02 -0.82 -1.36 135.00 137.58 2aiu n PRO 77 Ca 0.25 0.92 0.00 0.00 -2.02 0.00 0.00 63.50 62.65 2aiu n PRO 77 Cb 0.42 -2.71 0.00 0.00 -0.02 0.00 0.00 33.50 31.19 2aiu n PRO 77 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2aiu n GLY 78 N 2.91 0.66 3.73 -1.23 0.00 -1.26 -4.80 105.19 105.20 2aiu n GLY 78 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 2aiu n GLY 78 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2aiu s THR 79 N -2.57 2.35 -2.00 2.61 -1.32 -0.47 -4.74 115.64 109.50 2aiu s THR 79 Ca 0.00 0.20 0.21 0.00 -1.21 0.00 0.00 61.69 60.88 2aiu s THR 79 Cb 0.00 -2.92 0.48 0.00 -1.51 0.00 0.00 72.50 68.56 2aiu s THR 79 CO 0.00 -0.07 1.41 2.29 -2.21 0.00 0.00 174.62 176.04 2aiu n LYS 80 N -2.21 2.56 -2.70 7.08 2.85 -1.26 -4.78 118.16 119.70 2aiu n LYS 80 Ca 0.14 -2.37 -0.42 0.00 -1.05 0.00 0.00 58.31 54.61 2aiu n LYS 80 Cb 0.50 -1.49 -0.03 0.00 -0.65 0.00 0.00 35.03 33.35 2aiu n LYS 80 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 177.40 178.76 2aiu s MET 81 N -1.19 3.40 -0.71 -1.58 1.75 -1.26 -4.96 119.30 114.75 2aiu s MET 81 Ca 0.40 -0.04 -0.16 0.00 -1.25 0.00 0.00 55.69 54.63 2aiu s MET 81 Cb 0.22 -4.05 0.16 0.00 2.84 0.00 0.00 34.83 34.00 2aiu s MET 81 CO 0.29 -1.64 0.72 0.42 -0.65 0.00 0.00 175.02 174.17 2aiu s ILE 82 N 4.55 5.24 -0.26 10.11 -1.09 -1.26 -4.76 121.20 133.73 2aiu s ILE 82 Ca 0.36 -1.80 -0.17 0.00 -2.23 0.00 0.00 60.65 56.81 2aiu s ILE 82 Cb -0.10 -4.47 0.07 0.00 -1.58 0.00 0.00 42.46 36.38 2aiu s ILE 82 CO 0.21 -1.06 0.66 0.12 -1.23 0.00 0.00 174.94 173.65 2aiu s PHE 83 N 1.37 -0.94 0.42 3.97 5.36 -1.26 -5.07 117.98 121.82 2aiu s PHE 83 Ca 0.14 1.98 0.08 0.00 -0.96 0.00 0.00 56.93 58.17 2aiu s PHE 83 Cb -0.18 0.50 0.89 0.00 -0.34 0.00 0.00 43.02 43.89 2aiu s PHE 83 CO -0.03 -0.47 2.04 0.00 -1.46 0.00 0.00 175.22 175.31 2aiu h ALA 84 N 6.50 1.70 0.00 11.12 0.00 -1.97 -3.39 119.26 133.22 2aiu h ALA 84 Ca -0.30 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2aiu h ALA 84 Cb 1.21 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2aiu h ALA 84 CO 0.15 0.25 0.00 0.41 0.00 0.00 0.00 179.25 180.06 2aiu n GLY 85 N -1.38 1.59 3.11 0.00 0.00 -1.26 -4.40 105.19 102.84 2aiu n GLY 85 Ca 0.02 -2.12 -0.33 0.00 0.00 0.00 0.00 46.02 43.59 2aiu n GLY 85 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2aiu s ILE 86 N -1.71 2.44 0.12 -0.61 1.01 0.76 -4.97 121.20 118.24 2aiu s ILE 86 Ca 0.00 -1.54 -0.18 0.00 0.00 0.00 0.00 60.65 58.93 2aiu s ILE 86 Cb 0.00 -2.42 -0.04 0.00 0.01 0.00 0.00 42.46 40.01 2aiu s ILE 86 CO 0.00 -0.04 1.71 0.50 0.00 0.00 0.00 174.94 177.11 2aiu h LYS 87 N 7.85 0.40 -6.42 2.79 3.64 -1.85 -3.37 116.57 119.61 2aiu h LYS 87 Ca -0.20 -0.05 -0.54 0.00 -1.27 0.00 0.00 60.65 58.59 2aiu h LYS 87 Cb 1.05 -0.08 0.02 0.00 -0.41 0.00 0.00 32.23 32.81 2aiu h LYS 87 CO 0.49 0.36 1.01 0.15 -2.27 0.00 0.00 179.45 179.19 2aiu s LYS 88 N -5.82 4.20 0.14 1.90 -0.14 -1.26 -4.91 119.74 113.84 2aiu s LYS 88 Ca -0.13 2.32 -0.17 0.00 -1.36 0.00 0.00 55.97 56.62 2aiu s LYS 88 Cb 0.09 -3.67 -0.01 0.00 -1.68 0.00 0.00 37.83 32.56 2aiu s LYS 88 CO 0.72 -0.75 1.79 -0.22 -0.76 0.00 0.00 175.35 176.12 2aiu h LYS 89 N 8.55 0.45 -0.55 1.68 3.64 -2.00 -1.35 116.57 127.00 2aiu h LYS 89 Ca -0.42 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 58.96 2aiu h LYS 89 Cb 1.20 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.88 2aiu h LYS 89 CO 0.93 0.32 0.31 0.66 -2.27 0.00 0.00 179.45 179.40 2aiu h SER 90 N 0.45 0.48 -0.58 4.20 4.64 -1.99 0.32 113.55 121.07 2aiu h SER 90 Ca 0.12 0.02 -0.06 0.00 -0.47 0.00 0.00 61.79 61.40 2aiu h SER 90 Cb -0.03 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 61.96 2aiu h SER 90 CO -0.03 0.33 0.14 -0.08 -0.87 0.00 0.00 176.83 176.32 2aiu h GLU 91 N 0.60 0.93 -0.57 4.77 4.81 -1.91 -0.90 114.58 122.31 2aiu h GLU 91 Ca 0.24 -0.22 -0.06 0.00 -0.13 0.00 0.00 59.36 59.18 2aiu h GLU 91 Cb 0.09 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 2aiu h GLU 91 CO -0.13 0.86 0.12 0.00 -0.73 0.00 0.00 179.01 179.12 2aiu h ARG 92 N 0.84 0.94 -0.46 1.92 3.08 -0.68 -0.63 114.38 119.38 2aiu h ARG 92 Ca 0.18 -0.24 0.00 0.00 0.07 0.00 0.00 59.98 59.99 2aiu h ARG 92 Cb 0.35 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 2aiu h ARG 92 CO 0.00 0.88 0.29 0.93 -1.07 0.00 0.00 179.97 181.01 2aiu h GLU 93 N 0.84 0.62 -0.27 0.04 5.08 -0.69 0.36 114.58 120.56 2aiu h GLU 93 Ca 0.18 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 2aiu h GLU 93 Cb 0.38 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 2aiu h GLU 93 CO 0.01 0.43 0.09 -0.44 -1.00 0.00 0.00 179.01 178.09 2aiu h ASP 94 N 0.62 0.40 -0.38 1.42 3.32 -1.01 -1.48 116.42 119.30 2aiu h ASP 94 Ca 0.17 -0.20 0.03 0.00 0.02 0.00 0.00 57.03 57.05 2aiu h ASP 94 Cb -0.04 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.37 2aiu h ASP 94 CO -0.03 0.49 0.18 0.25 -1.72 0.00 0.00 179.24 178.41 2aiu h LEU 95 N 0.28 0.25 -1.02 1.55 5.85 -0.91 -1.67 115.31 119.64 2aiu h LEU 95 Ca 0.09 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.79 2aiu h LEU 95 Cb 0.24 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 2aiu h LEU 95 CO -0.00 0.19 0.25 0.40 -0.34 0.00 0.00 178.44 178.94 2aiu h ILE 96 N 0.37 1.23 -0.49 4.05 2.04 -0.82 0.04 117.51 123.93 2aiu h ILE 96 Ca 0.17 -0.73 0.03 0.00 1.00 0.00 0.00 64.86 65.33 2aiu h ILE 96 Cb 0.09 0.46 -0.04 0.00 -0.74 0.00 0.00 36.82 36.59 2aiu h ILE 96 CO -0.13 0.29 0.26 0.50 0.00 0.00 0.00 178.15 179.07 2aiu h LYS 97 N 0.94 0.50 -0.15 2.37 1.63 -0.73 0.51 116.57 121.64 2aiu h LYS 97 Ca 0.22 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.98 2aiu h LYS 97 Cb 0.19 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 31.70 2aiu h LYS 97 CO -0.02 0.33 0.05 -0.92 -3.45 0.00 0.00 179.45 175.44 2aiu h TYR 98 N 0.52 0.24 -0.98 1.91 3.20 -0.72 -2.55 116.97 118.58 2aiu h TYR 98 Ca 0.21 -0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.11 2aiu h TYR 98 Cb 0.08 -0.07 -0.06 0.00 1.54 0.00 0.00 36.73 38.22 2aiu h TYR 98 CO -0.09 0.35 0.64 -0.07 -1.64 0.00 0.00 178.16 177.35 2aiu h LEU 99 N 0.07 1.03 -0.57 2.82 3.38 -0.50 0.77 115.31 122.31 2aiu h LEU 99 Ca 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 2aiu h LEU 99 Cb 0.22 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 2aiu h LEU 99 CO -0.00 0.68 0.34 0.50 0.09 0.00 0.00 178.44 180.04 2aiu h LYS 100 N 1.18 0.79 0.28 1.13 3.64 -0.75 -0.80 116.57 122.03 2aiu h LYS 100 Ca 0.41 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.70 2aiu h LYS 100 Cb 0.11 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 2aiu h LYS 100 CO -0.16 0.58 -0.13 0.37 -2.27 0.00 0.00 179.45 177.84 2aiu h GLN 101 N 0.77 -0.36 -0.06 1.90 4.15 -0.97 -2.86 115.11 117.69 2aiu h GLN 101 Ca 0.20 0.02 -0.08 0.00 0.77 0.00 0.00 58.65 59.57 2aiu h GLN 101 Cb 0.00 0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.76 2aiu h GLN 101 CO -0.04 -0.05 -0.32 0.00 -1.93 0.00 0.00 178.83 176.50 2aiu h ALA 102 N -0.09 1.36 -0.01 3.38 0.00 -0.81 -2.95 119.26 120.14 2aiu h ALA 102 Ca -0.04 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2aiu h ALA 102 Cb 0.48 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2aiu h ALA 102 CO 0.06 0.46 -0.16 0.25 0.00 0.00 0.00 179.25 179.86 2aiu n THR 103 N -4.13 0.00 0.16 0.00 -2.24 -0.31 -4.06 114.28 103.70 2aiu n THR 103 Ca -0.02 -0.23 0.04 0.00 -2.27 0.00 0.00 64.05 61.57 2aiu n THR 103 Cb 0.38 0.65 0.05 0.00 -2.10 0.00 0.00 70.33 69.32 2aiu n THR 103 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2aiu n SER 104 N -0.05 1.94 0.00 3.42 7.64 -1.08 -0.78 113.62 124.71 2aiu n SER 104 Ca 0.15 -1.54 0.00 0.00 1.01 0.00 0.00 58.87 58.49 2aiu n SER 104 Cb 0.39 -0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.54 2aiu n SER 104 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49