#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1adn s LYS 2 N 0.00 0.58 0.10 0.03 -2.85 -1.26 -5.08 119.74 111.26 1adn s LYS 2 Ca 0.00 -0.36 0.00 0.00 -1.00 0.00 0.00 55.97 54.61 1adn s LYS 2 Cb 0.00 -0.53 0.00 0.00 -2.06 0.00 0.00 37.83 35.24 1adn s LYS 2 CO 0.00 0.14 0.00 0.36 0.10 0.00 0.00 175.35 175.95 1adn n LYS 3 N 2.63 -2.87 0.00 1.78 2.85 -1.26 -5.10 118.16 116.19 1adn n LYS 3 Ca -0.15 2.28 0.00 0.00 -1.05 0.00 0.00 58.31 59.39 1adn n LYS 3 Cb 0.57 -2.24 0.00 0.00 -0.65 0.00 0.00 35.03 32.71 1adn n LYS 3 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1adn n ALA 4 N 0.98 0.00 -2.99 0.58 0.00 -1.26 -5.15 120.51 112.67 1adn n ALA 4 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1adn n ALA 4 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1adn n ALA 4 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1adn n THR 5 N 0.00 0.00 -2.73 0.00 -2.24 -1.26 -5.09 114.28 102.96 1adn n THR 5 Ca 0.00 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.35 1adn n THR 5 Cb 0.00 -0.77 -0.03 0.00 -2.10 0.00 0.00 70.33 67.44 1adn n THR 5 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1adn n LEU 7 N 6.60 0.96 0.06 0.00 4.77 -1.26 -3.05 117.00 125.08 1adn n LEU 7 Ca 0.10 -0.41 0.00 0.00 -0.03 0.00 0.00 56.01 55.66 1adn n LEU 7 Cb 0.47 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 1adn n LEU 7 CO 0.56 0.21 -0.10 0.35 -1.33 0.00 0.00 177.39 177.07 1adn n THR 8 N -0.13 0.57 0.02 -5.08 -2.24 -1.26 -4.59 114.28 101.58 1adn n THR 8 Ca 0.14 0.19 -0.18 0.00 -2.27 0.00 0.00 64.05 61.93 1adn n THR 8 Cb 0.21 -1.20 -0.08 0.00 -2.10 0.00 0.00 70.33 67.16 1adn n THR 8 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1adn h ASP 9 N 0.00 0.88 1.02 3.42 5.19 -2.00 -1.39 116.42 123.54 1adn h ASP 9 Ca 0.00 -0.65 -0.20 0.00 -0.62 0.00 0.00 57.03 55.56 1adn h ASP 9 Cb 0.20 -0.26 -0.03 0.00 0.18 0.00 0.00 39.33 39.42 1adn h ASP 9 CO 0.00 1.45 -0.99 0.44 -3.12 0.00 0.00 179.24 177.02 1adn h ASP 10 N 0.43 0.00 -0.13 6.45 3.32 -1.88 -2.85 116.42 121.75 1adn h ASP 10 Ca -0.10 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.91 1adn h ASP 10 Cb 1.57 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 41.12 1adn h ASP 10 CO 0.18 0.94 -0.08 1.56 -1.72 0.00 0.00 179.24 180.13 1adn h GLN 11 N 0.00 0.29 0.00 3.56 1.08 -1.65 -2.38 115.11 116.02 1adn h GLN 11 Ca -0.03 -0.13 0.00 0.00 -1.45 0.00 0.00 58.65 57.04 1adn h GLN 11 Cb 1.74 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.16 1adn h GLN 11 CO 0.12 0.64 0.00 0.54 -0.95 0.00 0.00 178.83 179.18 1adn n ARG 12 N -4.65 0.00 0.09 1.46 5.12 -0.52 -1.37 116.66 116.78 1adn n ARG 12 Ca -0.06 0.90 -0.09 0.00 -1.93 0.00 0.00 57.85 56.68 1adn n ARG 12 Cb 0.30 -1.45 -0.04 0.00 -1.16 0.00 0.00 32.46 30.12 1adn n ARG 12 CO 0.00 0.00 0.00 2.35 -1.93 0.00 0.00 177.63 178.05 1adn h TRP 13 N 0.00 0.22 -0.11 -1.55 2.91 -1.65 -1.18 115.95 114.59 1adn h TRP 13 Ca 0.00 -0.13 0.03 0.00 1.13 0.00 0.00 58.89 59.92 1adn h TRP 13 Cb 0.00 -0.02 -0.00 0.00 -0.51 0.00 0.00 29.16 28.63 1adn h TRP 13 CO -0.75 1.00 0.25 0.37 -1.03 0.00 0.00 178.44 178.28 1adn h GLN 14 N 0.07 0.00 -0.16 2.65 5.75 -1.46 0.50 115.11 122.45 1adn h GLN 14 Ca -0.04 0.00 -0.11 0.00 -0.15 0.00 0.00 58.65 58.35 1adn h GLN 14 Cb 1.61 0.00 0.00 0.00 1.07 0.00 0.00 27.48 30.16 1adn h GLN 14 CO 0.14 0.00 -0.32 0.77 -2.65 0.00 0.00 178.83 176.77 1adn h SER 15 N 0.00 0.56 -0.15 -0.69 0.02 0.05 -1.27 113.55 112.06 1adn h SER 15 Ca 0.05 -0.55 0.05 0.00 -0.84 0.00 0.00 61.79 60.49 1adn h SER 15 Cb 0.56 -0.16 -0.07 0.00 0.14 0.00 0.00 62.40 62.87 1adn h SER 15 CO -0.00 1.01 -0.41 0.58 -1.14 0.00 0.00 176.83 176.87 1adn h VAL 16 N 0.13 0.16 -0.83 2.27 2.07 0.13 -1.99 116.25 118.19 1adn h VAL 16 Ca 0.01 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.71 1adn h VAL 16 Cb 0.92 0.16 -0.11 0.00 -1.52 0.00 0.00 31.29 30.73 1adn h VAL 16 CO 0.07 0.00 0.33 -0.07 0.02 0.00 0.00 177.57 177.93 1adn h LEU 17 N -0.47 0.27 -4.92 2.57 3.38 -0.91 -1.47 115.31 113.76 1adn h LEU 17 Ca 0.08 0.14 -0.57 0.00 0.09 0.00 0.00 57.88 57.62 1adn h LEU 17 Cb 0.61 0.12 -0.10 0.00 0.09 0.00 0.00 40.66 41.39 1adn h LEU 17 CO -0.41 0.04 1.69 0.00 0.09 0.00 0.00 178.44 179.85 1adn n ALA 18 N -2.53 6.81 -0.45 1.53 0.00 -0.48 -4.74 120.51 120.65 1adn n ALA 18 Ca 0.18 -3.30 0.38 0.00 0.00 0.00 0.00 53.44 50.71 1adn n ALA 18 Cb 0.54 -2.65 0.64 0.00 0.00 0.00 0.00 19.45 17.98 1adn n ALA 18 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1adn n ARG 19 N 2.02 -0.03 -1.39 0.00 -4.01 -0.56 -4.36 116.66 108.32 1adn n ARG 19 Ca 0.59 1.18 -0.46 0.00 -1.04 0.00 0.00 57.85 58.11 1adn n ARG 19 Cb 0.44 -2.33 -0.14 0.00 -3.04 0.00 0.00 32.46 27.40 1adn n ARG 19 CO 0.00 0.00 0.00 -3.47 -3.04 0.00 0.00 177.63 171.12 1adn n ASP 20 N -4.58 0.43 -0.64 2.89 -0.08 -1.26 -4.44 116.55 108.87 1adn n ASP 20 Ca 0.38 0.34 0.00 0.00 -1.51 0.00 0.00 54.79 54.00 1adn n ASP 20 Cb 1.49 -0.90 0.00 0.00 2.34 0.00 0.00 41.12 44.05 1adn n ASP 20 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 1adn n PRO 21 N 8.02 0.00 0.00 -0.67 -0.02 -1.26 -4.77 135.00 136.30 1adn n PRO 21 Ca 0.61 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 1adn n PRO 21 Cb 0.01 -0.16 0.00 0.00 -0.02 0.00 0.00 33.50 33.33 1adn n PRO 21 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1adn n ASN 22 N 0.56 0.00 -2.18 2.55 5.15 -1.26 -4.93 115.26 115.15 1adn n ASN 22 Ca 0.00 0.14 0.02 0.00 -0.60 0.00 0.00 54.58 54.14 1adn n ASN 22 Cb 0.04 -0.27 0.04 0.00 -0.53 0.00 0.00 39.78 39.06 1adn n ASN 22 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1adn n ALA 23 N -1.63 2.50 -0.15 5.20 0.00 -1.26 -4.90 120.51 120.27 1adn n ALA 23 Ca 0.00 -2.57 -0.11 0.00 0.00 0.00 0.00 53.44 50.76 1adn n ALA 23 Cb 0.00 -0.80 -0.01 0.00 0.00 0.00 0.00 19.45 18.63 1adn n ALA 23 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1adn h ASP 24 N 1.82 0.86 0.49 0.00 3.32 -1.91 -3.06 116.42 117.94 1adn h ASP 24 Ca -0.18 -0.37 0.00 0.00 0.02 0.00 0.00 57.03 56.50 1adn h ASP 24 Cb 1.57 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.88 1adn h ASP 24 CO 0.15 1.04 0.00 1.23 -1.72 0.00 0.00 179.24 179.93 1adn h GLY 25 N 0.68 0.00 -1.86 2.75 0.00 -1.97 -2.59 103.07 100.07 1adn h GLY 25 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.44 1adn h GLY 25 CO 0.05 0.00 0.00 -1.84 0.00 0.00 0.00 176.54 174.75 1adn n GLU 26 N -2.52 3.08 -3.53 4.80 0.28 -1.16 -4.99 120.64 116.59 1adn n GLU 26 Ca 0.00 -2.48 -0.08 0.00 -0.16 0.00 0.00 57.16 54.45 1adn n GLU 26 Cb 0.17 -1.57 -0.02 0.00 1.43 0.00 0.00 31.44 31.45 1adn n GLU 26 CO 0.00 0.00 0.00 -0.59 -0.16 0.00 0.00 177.13 176.38 1adn s PHE 27 N -1.63 -0.30 0.06 -1.84 -0.12 -0.98 -4.58 117.98 108.59 1adn s PHE 27 Ca 0.36 0.23 0.02 0.00 -0.05 0.00 0.00 56.93 57.48 1adn s PHE 27 Cb 0.23 0.52 -0.03 0.00 -0.63 0.00 0.00 43.02 43.11 1adn s PHE 27 CO 0.17 -0.45 -0.07 0.14 -0.05 0.00 0.00 175.22 174.97 1adn s VAL 28 N -2.76 0.53 0.01 -2.49 -7.23 0.31 -4.52 120.40 104.25 1adn s VAL 28 Ca 0.05 -1.36 0.02 0.00 -1.81 0.00 0.00 61.98 58.88 1adn s VAL 28 Cb -0.01 -0.95 -0.01 0.00 0.56 0.00 0.00 36.38 35.97 1adn s VAL 28 CO -0.07 -0.57 -0.06 0.72 -0.31 0.00 0.00 175.10 174.80 1adn s PHE 29 N -2.21 0.55 -0.27 2.82 -0.71 -0.91 0.19 117.98 117.43 1adn s PHE 29 Ca -0.03 -0.19 0.02 0.00 -1.04 0.00 0.00 56.93 55.70 1adn s PHE 29 Cb -0.04 -0.34 0.07 0.00 -1.21 0.00 0.00 43.02 41.49 1adn s PHE 29 CO -0.02 -0.02 -0.05 0.00 -1.34 0.00 0.00 175.22 173.79 1adn s ALA 30 N -0.42 2.43 -0.54 1.99 0.00 -0.87 -1.42 121.76 122.92 1adn s ALA 30 Ca -0.01 -1.83 -0.26 0.00 0.00 0.00 0.00 51.96 49.86 1adn s ALA 30 Cb -0.04 -1.64 0.04 0.00 0.00 0.00 0.00 23.12 21.48 1adn s ALA 30 CO -0.00 -1.34 1.02 0.54 0.00 0.00 0.00 175.76 175.98 1adn s VAL 31 N 1.16 4.28 -1.97 0.00 0.11 -0.70 0.33 120.40 123.61 1adn s VAL 31 Ca -0.03 0.56 0.00 0.00 -2.93 0.00 0.00 61.98 59.59 1adn s VAL 31 Cb -0.19 -4.58 0.01 0.00 -1.53 0.00 0.00 36.38 30.09 1adn s VAL 31 CO -0.07 -1.14 1.00 -2.11 -3.33 0.00 0.00 175.10 169.45 1adn n ARG 32 N 7.72 1.04 -0.02 1.54 -4.01 -1.09 -1.92 116.66 119.92 1adn n ARG 32 Ca 0.05 -0.05 -0.13 0.00 -1.04 0.00 0.00 57.85 56.68 1adn n ARG 32 Cb 0.48 -1.03 -0.14 0.00 -3.04 0.00 0.00 32.46 28.73 1adn n ARG 32 CO 0.00 0.00 0.00 -2.37 -3.04 0.00 0.00 177.63 172.22 1adn n THR 33 N -0.44 1.64 0.54 8.89 5.66 -1.26 -4.05 114.28 125.26 1adn n THR 33 Ca 0.00 -0.75 0.10 0.00 -3.05 0.00 0.00 64.05 60.35 1adn n THR 33 Cb 0.02 -1.22 0.14 0.00 -1.55 0.00 0.00 70.33 67.72 1adn n THR 33 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 1adn n THR 34 N -3.16 0.27 -3.61 1.09 -1.04 -1.19 -5.02 114.28 101.62 1adn n THR 34 Ca -0.23 -0.63 -0.22 0.00 -2.04 0.00 0.00 64.05 60.93 1adn n THR 34 Cb 1.06 1.18 0.07 0.00 -1.82 0.00 0.00 70.33 70.81 1adn n THR 34 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1adn n GLY 35 N 1.21 -0.42 3.06 3.41 0.00 -0.81 -5.03 105.19 106.61 1adn n GLY 35 Ca 0.14 0.17 -0.18 0.00 0.00 0.00 0.00 46.02 46.15 1adn n GLY 35 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1adn s ILE 36 N -3.40 0.80 -0.12 -0.61 -4.36 -1.10 -4.15 121.20 108.26 1adn s ILE 36 Ca 0.27 -0.63 0.02 0.00 -0.26 0.00 0.00 60.65 60.05 1adn s ILE 36 Cb -0.13 -0.71 -0.01 0.00 1.25 0.00 0.00 42.46 42.87 1adn s ILE 36 CO 0.76 0.08 -0.18 0.72 0.24 0.00 0.00 174.94 176.56 1adn s PHE 37 N -0.52 2.69 0.08 1.37 -0.71 0.18 -1.72 117.98 119.35 1adn s PHE 37 Ca 0.01 -0.85 -0.08 0.00 -1.04 0.00 0.00 56.93 54.97 1adn s PHE 37 Cb -0.05 -1.78 -0.01 0.00 -1.21 0.00 0.00 43.02 39.97 1adn s PHE 37 CO 0.00 -0.32 0.16 0.00 -1.34 0.00 0.00 175.22 173.73 1adn s ARG 39 N -3.79 3.86 0.00 0.00 0.52 -1.04 -2.15 118.95 116.36 1adn s ARG 39 Ca 0.05 1.28 0.00 0.00 -0.52 0.00 0.00 55.73 56.53 1adn s ARG 39 Cb 0.05 -3.92 0.00 0.00 0.52 0.00 0.00 34.95 31.60 1adn s ARG 39 CO -0.10 -1.19 0.02 -2.30 0.02 0.00 0.00 175.30 171.74 1adn n PRO 40 N 7.44 0.00 -0.03 3.54 -0.02 -1.26 -4.49 135.00 140.18 1adn n PRO 40 Ca 0.15 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 1adn n PRO 40 Cb 0.47 -0.02 0.00 0.00 -0.02 0.00 0.00 33.50 33.93 1adn n PRO 40 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1adn n SER 41 N 0.08 0.00 -4.49 2.55 7.64 -1.26 -4.78 113.62 113.36 1adn n SER 41 Ca 0.00 -0.14 -0.48 0.00 1.01 0.00 0.00 58.87 59.26 1adn n SER 41 Cb 0.01 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.18 1adn n SER 41 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1adn n ARG 43 N 1.06 1.41 -1.33 0.00 1.74 -1.26 -4.74 116.66 113.54 1adn n ARG 43 Ca 0.15 -1.04 -0.27 0.00 -0.77 0.00 0.00 57.85 55.92 1adn n ARG 43 Cb 0.26 -1.48 0.21 0.00 -1.02 0.00 0.00 32.46 30.43 1adn n ARG 43 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1adn n ALA 44 N 0.11 -2.30 -1.54 7.54 0.00 -1.26 -4.89 120.51 118.18 1adn n ALA 44 Ca 0.13 -1.53 -0.24 0.00 0.00 0.00 0.00 53.44 51.79 1adn n ALA 44 Cb 0.44 -0.09 -0.09 0.00 0.00 0.00 0.00 19.45 19.71 1adn n ALA 44 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1adn n ARG 45 N -4.08 0.57 -0.25 0.00 0.00 -1.26 -4.69 116.66 106.95 1adn n ARG 45 Ca 0.14 -0.39 -0.11 0.00 -0.00 0.00 0.00 57.85 57.49 1adn n ARG 45 Cb 0.53 -3.02 -0.02 0.00 -0.00 0.00 0.00 32.46 29.95 1adn n ARG 45 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 1adn n HIS 46 N 15.21 0.24 -1.08 2.89 8.25 -1.26 -4.83 115.22 134.64 1adn n HIS 46 Ca 0.49 0.16 -0.37 0.00 -0.26 0.00 0.00 57.72 57.74 1adn n HIS 46 Cb 0.39 -0.42 0.03 0.00 1.12 0.00 0.00 29.99 31.11 1adn n HIS 46 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1adn n ALA 47 N 1.24 -4.68 -2.66 -1.41 0.00 -1.26 -4.88 120.51 106.85 1adn n ALA 47 Ca 0.09 -0.47 -0.42 0.00 0.00 0.00 0.00 53.44 52.64 1adn n ALA 47 Cb -0.01 -1.23 -0.03 0.00 0.00 0.00 0.00 19.45 18.18 1adn n ALA 47 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1adn s LEU 48 N 6.96 4.36 0.33 0.00 1.43 -1.26 -4.93 118.68 125.57 1adn s LEU 48 Ca 0.46 1.70 0.24 0.00 -1.03 0.00 0.00 54.13 55.49 1adn s LEU 48 Cb -0.29 -3.57 1.19 0.00 0.03 0.00 0.00 46.19 43.56 1adn s LEU 48 CO 0.77 -0.31 1.72 0.08 0.23 0.00 0.00 176.35 178.84 1adn h ARG 49 N 6.84 0.00 -0.03 1.70 0.11 -1.95 -3.15 114.38 117.90 1adn h ARG 49 Ca -0.40 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.68 1adn h ARG 49 Cb 1.21 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.29 1adn h ARG 49 CO 0.77 0.00 0.00 -0.85 0.10 0.00 0.00 179.97 179.99 1adn n GLU 50 N -2.32 1.47 -0.57 0.08 -0.00 -1.26 -2.94 120.64 115.10 1adn n GLU 50 Ca -0.01 -0.69 0.02 0.00 -0.00 0.00 0.00 57.16 56.49 1adn n GLU 50 Cb 0.10 -1.47 0.02 0.00 -0.00 0.00 0.00 31.44 30.09 1adn n GLU 50 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 1adn n ASN 51 N -0.16 0.43 -4.89 -1.84 2.04 -1.19 -5.14 115.26 104.51 1adn n ASN 51 Ca 0.20 -2.16 -0.34 0.00 -0.44 0.00 0.00 54.58 51.84 1adn n ASN 51 Cb 0.28 -0.25 -0.05 0.00 -2.53 0.00 0.00 39.78 37.23 1adn n ASN 51 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 1adn s VAL 52 N -0.40 5.37 0.52 3.53 0.11 -1.15 -2.66 120.40 125.72 1adn s VAL 52 Ca 0.09 -0.14 0.07 0.00 -2.93 0.00 0.00 61.98 59.06 1adn s VAL 52 Cb 0.09 -3.48 0.03 0.00 -1.53 0.00 0.00 36.38 31.49 1adn s VAL 52 CO -0.02 0.37 0.45 -0.55 -3.33 0.00 0.00 175.10 172.02 1adn s SER 53 N -1.80 4.78 0.02 3.54 0.15 0.15 -4.87 113.70 115.67 1adn s SER 53 Ca 0.25 -1.08 -0.00 0.00 0.70 0.00 0.00 55.95 55.82 1adn s SER 53 Cb -0.12 0.18 -0.02 0.00 -1.71 0.00 0.00 66.02 64.35 1adn s SER 53 CO 0.16 -1.04 -0.02 -0.36 1.20 0.00 0.00 173.24 173.18 1adn s PHE 54 N -2.69 0.23 0.11 3.44 0.40 -1.26 -2.04 117.98 116.16 1adn s PHE 54 Ca 0.41 -0.46 -0.09 0.00 -0.60 0.00 0.00 56.93 56.20 1adn s PHE 54 Cb -0.03 -0.17 -0.00 0.00 0.51 0.00 0.00 43.02 43.33 1adn s PHE 54 CO 0.25 -0.17 0.21 0.71 0.70 0.00 0.00 175.22 176.92 1adn s TYR 55 N -1.29 0.23 -0.02 0.36 1.51 0.13 -4.99 117.35 113.27 1adn s TYR 55 Ca -0.14 -0.65 0.18 0.00 -1.01 0.00 0.00 57.07 55.45 1adn s TYR 55 Cb -0.09 -0.07 0.39 0.00 -0.11 0.00 0.00 41.96 42.08 1adn s TYR 55 CO -0.01 -0.59 1.59 0.00 -1.11 0.00 0.00 175.55 175.44 1adn h ALA 56 N 2.70 0.82 -2.90 3.71 0.00 -1.85 0.90 119.26 122.64 1adn h ALA 56 Ca -0.33 -0.37 0.02 0.00 0.00 0.00 0.00 54.91 54.22 1adn h ALA 56 Cb 1.21 -0.07 -0.11 0.00 0.00 0.00 0.00 17.79 18.82 1adn h ALA 56 CO 0.54 0.51 0.25 1.21 0.00 0.00 0.00 179.25 181.77 1adn s ASN 57 N -6.40 -0.47 0.64 0.00 3.84 -1.26 -2.82 114.94 108.48 1adn s ASN 57 Ca 0.02 -0.15 0.26 0.00 0.21 0.00 0.00 52.86 53.21 1adn s ASN 57 Cb 0.09 0.60 1.39 0.00 -0.55 0.00 0.00 41.25 42.78 1adn s ASN 57 CO 0.71 -1.02 1.79 0.00 -2.79 0.00 0.00 177.10 175.79 1adn h ALA 58 N 2.00 1.69 -0.06 1.71 0.00 -1.94 -2.39 119.26 120.27 1adn h ALA 58 Ca -0.29 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.65 1adn h ALA 58 Cb 1.29 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 19.03 1adn h ALA 58 CO 0.33 -0.56 -0.36 0.66 0.00 0.00 0.00 179.25 179.33 1adn h SER 59 N 0.00 -1.11 -0.06 0.00 4.64 -1.99 0.54 113.55 115.57 1adn h SER 59 Ca 0.07 0.15 -0.20 0.00 -0.47 0.00 0.00 61.79 61.34 1adn h SER 59 Cb 1.02 0.45 0.01 0.00 -0.31 0.00 0.00 62.40 63.58 1adn h SER 59 CO -0.00 -0.40 -0.76 1.05 -0.87 0.00 0.00 176.83 175.84 1adn h GLU 60 N -0.48 0.62 -0.04 4.77 4.11 -1.84 0.59 114.58 122.31 1adn h GLU 60 Ca 0.07 -0.59 0.01 0.00 0.07 0.00 0.00 59.36 58.92 1adn h GLU 60 Cb 0.59 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.99 1adn h GLU 60 CO -0.33 1.20 0.06 0.00 0.07 0.00 0.00 179.01 180.01 1adn h ALA 61 N 0.43 1.45 0.00 1.06 0.00 -1.52 1.50 119.26 122.17 1adn h ALA 61 Ca -0.08 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1adn h ALA 61 Cb 1.43 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.21 1adn h ALA 61 CO 0.15 -0.08 -0.15 1.25 0.00 0.00 0.00 179.25 180.42 1adn h LEU 62 N 0.00 0.00 -1.95 0.00 5.85 0.19 -2.43 115.31 116.96 1adn h LEU 62 Ca 0.02 -0.68 0.00 0.00 0.84 0.00 0.00 57.88 58.06 1adn h LEU 62 Cb 0.13 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.16 1adn h LEU 62 CO -0.00 0.93 0.32 0.00 -0.34 0.00 0.00 178.44 179.35 1adn h ALA 63 N -0.32 1.31 -0.31 1.25 0.00 -0.73 1.45 119.26 121.91 1adn h ALA 63 Ca -0.04 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1adn h ALA 63 Cb 0.79 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1adn h ALA 63 CO -0.02 -0.31 -0.12 0.00 0.00 0.00 0.00 179.25 178.79 1adn h ALA 64 N 1.35 0.44 0.00 0.00 0.00 0.21 -3.49 119.26 117.77 1adn h ALA 64 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1adn h ALA 64 Cb 0.64 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1adn h ALA 64 CO 0.00 0.31 0.00 0.41 0.00 0.00 0.00 179.25 179.97 1adn n GLY 65 N -0.09 1.33 1.63 0.00 0.00 0.50 -5.08 105.19 103.47 1adn n GLY 65 Ca -0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.89 1adn n GLY 65 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1adn n PHE 66 N -0.17 -1.83 -3.33 1.61 7.35 -0.93 -5.04 117.46 115.12 1adn n PHE 66 Ca 0.00 -0.94 -0.40 0.00 -0.76 0.00 0.00 57.45 55.35 1adn n PHE 66 Cb 0.00 -0.21 -0.09 0.00 0.35 0.00 0.00 39.48 39.54 1adn n PHE 66 CO 0.00 0.00 0.00 0.50 -0.76 0.00 0.00 176.76 176.50 1adn s ARG 67 N -3.02 3.89 -0.82 -4.13 6.06 -1.26 -4.85 118.95 114.82 1adn s ARG 67 Ca 0.19 0.00 -0.25 0.00 -2.50 0.00 0.00 55.73 53.17 1adn s ARG 67 Cb -0.01 -3.70 -0.08 0.00 0.06 0.00 0.00 34.95 31.21 1adn s ARG 67 CO 0.12 -0.40 2.13 -1.25 -2.50 0.00 0.00 175.30 173.40 1adn s PRO 68 N 2.18 2.19 -0.67 5.12 0.04 -1.26 -0.65 135.00 141.95 1adn s PRO 68 Ca 0.17 0.16 -0.12 0.00 0.04 0.00 0.00 61.00 61.25 1adn s PRO 68 Cb -0.16 -4.88 0.17 0.00 0.04 0.00 0.00 34.50 29.68 1adn s PRO 68 CO 0.11 -3.70 0.58 0.00 0.04 0.00 0.00 177.00 174.03 1adn n LYS 70 N 4.31 1.70 0.00 0.00 5.02 -1.26 -2.48 118.16 125.45 1adn n LYS 70 Ca 0.03 -3.30 0.00 0.00 -2.02 0.00 0.00 58.31 53.02 1adn n LYS 70 Cb 0.43 -1.55 0.00 0.00 -0.02 0.00 0.00 35.03 33.89 1adn n LYS 70 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1adn n ARG 71 N -0.91 0.00 -1.17 1.97 0.63 -1.26 -4.97 116.66 110.95 1adn n ARG 71 Ca 0.21 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.14 1adn n ARG 71 Cb 0.77 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.68 1adn n ARG 71 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1adn n GLN 73 N -0.38 0.04 -0.48 0.00 0.00 -1.26 -4.84 117.38 110.46 1adn n GLN 73 Ca 0.00 -0.04 0.09 0.00 -0.00 0.00 0.00 57.00 57.05 1adn n GLN 73 Cb 0.00 -1.23 0.32 0.00 0.00 0.00 0.00 30.24 29.32 1adn n GLN 73 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71 1adn n PRO 74 N 6.14 3.13 -1.63 3.69 -0.04 -1.26 -4.77 135.00 140.26 1adn n PRO 74 Ca 0.66 -2.53 -0.36 0.00 -0.04 0.00 0.00 63.50 61.24 1adn n PRO 74 Cb 0.14 -1.72 0.04 0.00 -0.04 0.00 0.00 33.50 31.93 1adn n PRO 74 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1adn n ASP 75 N 1.19 7.45 0.02 3.54 9.92 -1.26 -4.27 116.55 133.14 1adn n ASP 75 Ca 0.23 -3.73 -0.11 0.00 -0.53 0.00 0.00 54.79 50.65 1adn n ASP 75 Cb 0.72 -1.05 -0.14 0.00 -0.64 0.00 0.00 41.12 40.01 1adn n ASP 75 CO 0.00 0.00 0.00 0.07 0.13 0.00 0.00 177.20 177.40 1adn h LYS 76 N 2.58 0.08 -0.08 -1.24 -0.00 -2.02 -3.37 116.57 112.52 1adn h LYS 76 Ca 0.55 -0.14 0.02 0.00 -0.00 0.00 0.00 60.65 61.08 1adn h LYS 76 Cb 0.40 0.05 -0.02 0.00 -0.00 0.00 0.00 32.23 32.67 1adn h LYS 76 CO 1.41 0.82 -0.01 0.00 -0.00 0.00 0.00 179.45 181.66 1adn n ALA 77 N -2.58 0.03 -2.32 0.07 0.00 -1.26 -4.84 120.51 109.61 1adn n ALA 77 Ca -0.14 0.09 -0.06 0.00 0.00 0.00 0.00 53.44 53.32 1adn n ALA 77 Cb 1.03 -0.06 0.03 0.00 0.00 0.00 0.00 19.45 20.45 1adn n ALA 77 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1adn n ASN 78 N -4.04 -3.32 0.00 0.00 3.02 -1.26 -5.08 115.26 104.57 1adn n ASN 78 Ca 0.01 -0.28 0.00 0.00 -0.03 0.00 0.00 54.58 54.29 1adn n ASN 78 Cb 0.05 -2.40 0.00 0.00 -0.61 0.00 0.00 39.78 36.82 1adn n ASN 78 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1adn n PRO 79 N -2.22 0.00 0.00 3.52 -0.04 -1.26 -5.06 135.00 129.94 1adn n PRO 79 Ca -0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 1adn n PRO 79 Cb 0.55 -0.53 0.00 0.00 -0.04 0.00 0.00 33.50 33.48 1adn n PRO 79 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1adn n ARG 80 N -0.03 0.00 -1.69 0.54 0.63 -1.26 -5.14 116.66 109.71 1adn n ARG 80 Ca 0.00 0.00 -0.59 0.00 -0.92 0.00 0.00 57.85 56.34 1adn n ARG 80 Cb 0.00 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 32.83 1adn n ARG 80 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1adn n GLN 81 N -1.01 0.86 0.00 -0.14 -0.00 -1.26 -4.86 117.38 110.97 1adn n GLN 81 Ca 0.00 0.31 0.00 0.00 -0.00 0.00 0.00 57.00 57.31 1adn n GLN 81 Cb 0.00 -1.98 0.00 0.00 -0.00 0.00 0.00 30.24 28.26 1adn n GLN 81 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.06 178.64 1adn n HIS 82 N 5.46 0.00 -3.43 2.61 -0.00 -1.26 -5.19 115.22 113.41 1adn n HIS 82 Ca 0.30 0.00 -0.33 0.00 0.46 0.00 0.00 57.72 58.15 1adn n HIS 82 Cb 0.09 0.00 -0.05 0.00 -0.12 0.00 0.00 29.99 29.90 1adn n HIS 82 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 1adn s ARG 83 N 0.00 3.82 0.00 1.57 0.52 -1.26 -5.00 118.95 118.60 1adn s ARG 83 Ca 0.00 0.29 0.20 0.00 -0.52 0.00 0.00 55.73 55.70 1adn s ARG 83 Cb 0.00 -2.72 0.82 0.00 0.52 0.00 0.00 34.95 33.57 1adn s ARG 83 CO 0.00 0.36 1.58 1.47 0.02 0.00 0.00 175.30 178.73 1adn n LEU 84 N 0.07 1.33 -3.08 2.53 -0.00 -1.26 -4.76 117.00 111.83 1adn n LEU 84 Ca -0.01 -0.55 0.02 0.00 -0.00 0.00 0.00 56.01 55.47 1adn n LEU 84 Cb 0.52 -0.08 -0.00 0.00 -0.00 0.00 0.00 43.42 43.86 1adn n LEU 84 CO 0.45 0.28 0.24 -0.62 -0.00 0.00 0.00 177.39 177.74 1adn s ASP 85 N -1.57 -1.11 0.00 1.45 2.15 -1.26 -5.01 116.67 111.33 1adn s ASP 85 Ca 0.31 -0.30 0.00 0.00 0.43 0.00 0.00 52.55 52.99 1adn s ASP 85 Cb 0.16 1.51 0.00 0.00 -0.30 0.00 0.00 42.92 44.29 1adn s ASP 85 CO 0.25 -0.15 0.00 1.17 -0.17 0.00 0.00 175.17 176.27 1adn n LYS 86 N 4.56 0.00 -1.22 4.34 3.00 -1.26 -5.00 118.16 122.58 1adn n LYS 86 Ca 0.08 0.00 -0.25 0.00 -0.00 0.00 0.00 58.31 58.14 1adn n LYS 86 Cb 0.58 0.00 0.17 0.00 0.00 0.00 0.00 35.03 35.78 1adn n LYS 86 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.40 178.91 1adn n ILE 87 N -0.77 3.22 -4.57 3.15 0.00 -1.26 -4.95 119.36 114.18 1adn n ILE 87 Ca 0.00 -1.99 -0.26 0.00 0.00 0.00 0.00 62.75 60.49 1adn n ILE 87 Cb 0.00 -0.55 -0.11 0.00 0.00 0.00 0.00 39.64 38.99 1adn n ILE 87 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 1adn s THR 88 N -3.40 2.08 -0.48 9.51 -4.23 -1.26 -5.13 115.64 112.73 1adn s THR 88 Ca 0.57 -2.12 -0.06 0.00 -1.18 0.00 0.00 61.69 58.91 1adn s THR 88 Cb 0.48 -2.78 0.13 0.00 1.34 0.00 0.00 72.50 71.66 1adn s THR 88 CO 0.10 -0.12 0.32 -2.28 -0.54 0.00 0.00 174.62 172.09 1adn s HIS 89 N -2.69 3.51 0.00 3.99 2.46 -1.26 -5.10 115.29 116.20 1adn s HIS 89 Ca 0.33 -2.25 0.00 0.00 0.47 0.00 0.00 55.06 53.61 1adn s HIS 89 Cb 0.06 -3.35 0.00 0.00 -0.13 0.00 0.00 32.58 29.16 1adn s HIS 89 CO 0.17 -0.96 0.00 0.00 -2.47 0.00 0.00 174.74 171.48 1adn n ALA 90 N 4.51 0.00 -2.28 1.58 0.00 -1.26 -5.07 120.51 117.99 1adn n ALA 90 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.01 1adn n ALA 90 Cb 0.41 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.82 1adn n ALA 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50