#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 0.57 -1.52 2.12 0.00 -1.26 -4.97 119.74 114.69 1adn s LYS 2 Ca 0.00 0.25 -0.05 0.00 0.00 0.00 0.00 55.97 56.17 1adn s LYS 2 Cb 0.00 0.27 0.05 0.00 0.00 0.00 0.00 37.83 38.14 1adn s LYS 2 CO 0.00 -0.12 0.44 1.63 0.00 0.00 0.00 175.35 177.30 1adn n LYS 3 N 2.16 -2.78 0.00 1.78 5.02 -1.26 -4.96 118.16 118.12 1adn n LYS 3 Ca -0.17 0.33 0.00 0.00 -2.02 0.00 0.00 58.31 56.46 1adn n LYS 3 Cb 0.57 -4.51 0.00 0.00 -0.02 0.00 0.00 35.03 31.07 1adn n LYS 3 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1adn n ALA 4 N -4.42 0.00 0.00 7.82 0.00 -1.26 -4.63 120.51 118.01 1adn n ALA 4 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1adn n ALA 4 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.08 1adn n ALA 4 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1adn n THR 5 N -0.23 0.00 -2.27 0.00 -1.04 -1.26 -5.00 114.28 104.48 1adn n THR 5 Ca 0.00 0.00 -0.27 0.00 -2.04 0.00 0.00 64.05 61.74 1adn n THR 5 Cb 0.00 0.00 0.17 0.00 -1.82 0.00 0.00 70.33 68.68 1adn n THR 5 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1adn s LEU 7 N -5.59 4.09 0.43 0.00 1.02 -1.26 -5.04 118.68 112.33 1adn s LEU 7 Ca 0.72 0.32 -0.22 0.00 0.02 0.00 0.00 54.13 54.98 1adn s LEU 7 Cb -0.03 -3.11 -0.09 0.00 0.02 0.00 0.00 46.19 42.98 1adn s LEU 7 CO 0.50 -0.84 1.02 0.42 0.02 0.00 0.00 176.35 177.47 1adn s THR 8 N 3.33 3.87 0.04 5.49 -4.23 -1.26 -4.89 115.64 117.99 1adn s THR 8 Ca 0.34 1.29 0.23 0.00 -1.18 0.00 0.00 61.69 62.37 1adn s THR 8 Cb -0.12 -3.60 0.23 0.00 1.34 0.00 0.00 72.50 70.35 1adn s THR 8 CO 0.20 -0.13 1.67 -0.78 -0.54 0.00 0.00 174.62 175.04 1adn h ASP 9 N 2.09 0.00 0.01 3.99 3.58 -1.99 0.27 116.42 124.37 1adn h ASP 9 Ca -0.49 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 56.96 1adn h ASP 9 Cb 1.21 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.26 1adn h ASP 9 CO 0.61 0.00 -0.01 -0.78 -2.88 0.00 0.00 179.24 176.18 1adn h ASP 10 N 0.00 -0.01 -0.39 2.28 3.58 -1.99 -2.57 116.42 117.32 1adn h ASP 10 Ca 0.00 -0.50 0.06 0.00 0.42 0.00 0.00 57.03 57.01 1adn h ASP 10 Cb 0.22 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.23 1adn h ASP 10 CO 0.00 0.50 0.09 1.56 -2.88 0.00 0.00 179.24 178.50 1adn h GLN 11 N -0.53 0.21 0.00 0.28 4.20 -1.35 0.28 115.11 118.20 1adn h GLN 11 Ca -0.00 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1adn h GLN 11 Cb 0.51 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.24 1adn h GLN 11 CO 0.00 0.14 0.00 0.54 -0.67 0.00 0.00 178.83 178.84 1adn n ARG 12 N -5.08 0.00 0.12 1.46 5.12 -0.67 -0.84 116.66 116.77 1adn n ARG 12 Ca 0.02 0.88 -0.01 0.00 -1.93 0.00 0.00 57.85 56.82 1adn n ARG 12 Cb 0.17 -1.44 0.02 0.00 -1.16 0.00 0.00 32.46 30.06 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 0.00 -0.14 -1.55 2.91 -1.42 -0.68 115.95 115.06 1adn h TRP 13 Ca 0.00 0.00 0.04 0.00 1.13 0.00 0.00 58.89 60.06 1adn h TRP 13 Cb 0.00 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 28.64 1adn h TRP 13 CO -0.71 0.68 0.15 0.37 -1.03 0.00 0.00 178.44 177.89 1adn h GLN 14 N 0.00 0.00 -0.42 2.65 5.75 -0.44 0.32 115.11 122.97 1adn h GLN 14 Ca -0.01 0.00 -0.10 0.00 -0.15 0.00 0.00 58.65 58.39 1adn h GLN 14 Cb 1.45 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.98 1adn h GLN 14 CO 0.09 0.00 -0.14 1.03 -2.65 0.00 0.00 178.83 177.16 1adn h SER 15 N 0.00 0.85 0.72 -0.69 0.87 0.59 0.43 113.55 116.32 1adn h SER 15 Ca 0.07 -0.38 -0.03 0.00 -1.23 0.00 0.00 61.79 60.22 1adn h SER 15 Cb 0.37 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 1adn h SER 15 CO -0.00 1.03 -0.37 0.58 -0.53 0.00 0.00 176.83 177.54 1adn h VAL 16 N 0.65 0.24 -1.08 2.23 2.07 -0.39 -2.69 116.25 117.29 1adn h VAL 16 Ca 0.10 0.00 0.29 0.00 0.82 0.00 0.00 66.70 67.91 1adn h VAL 16 Cb 0.68 0.24 -0.10 0.00 -1.52 0.00 0.00 31.29 30.60 1adn h VAL 16 CO 0.05 0.00 0.70 -0.07 0.02 0.00 0.00 177.57 178.27 1adn h LEU 17 N -1.00 0.40 -5.05 2.57 3.38 -0.58 -0.23 115.31 114.80 1adn h LEU 17 Ca -0.10 0.09 -0.62 0.00 0.09 0.00 0.00 57.88 57.34 1adn h LEU 17 Cb 0.78 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.51 1adn h LEU 17 CO 0.14 0.05 2.59 0.00 0.09 0.00 0.00 178.44 181.31 1adn n ALA 18 N -2.49 7.10 -0.39 1.53 0.00 0.15 -4.79 120.51 121.62 1adn n ALA 18 Ca 0.27 -3.46 0.30 0.00 0.00 0.00 0.00 53.44 50.54 1adn n ALA 18 Cb 0.96 -2.95 0.46 0.00 0.00 0.00 0.00 19.45 17.92 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 2.62 0.00 -1.33 0.00 1.85 -0.10 -4.63 116.66 115.08 1adn n ARG 19 Ca 0.67 0.61 -0.45 0.00 -1.00 0.00 0.00 57.85 57.67 1adn n ARG 19 Cb 0.35 -1.41 -0.02 0.00 -1.05 0.00 0.00 32.46 30.32 1adn n ARG 19 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 1adn n ASP 20 N -3.05 -1.46 -1.67 2.89 -0.08 -1.26 -4.84 116.55 107.09 1adn n ASP 20 Ca 0.25 1.03 -0.05 0.00 -1.51 0.00 0.00 54.79 54.52 1adn n ASP 20 Cb 1.13 -0.90 -0.04 0.00 2.34 0.00 0.00 41.12 43.65 1adn n ASP 20 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1adn n PRO 21 N 1.01 1.32 -0.08 -0.67 -0.04 -1.26 -4.28 135.00 131.01 1adn n PRO 21 Ca 0.16 -0.39 -0.12 0.00 -0.04 0.00 0.00 63.50 63.11 1adn n PRO 21 Cb 0.26 -1.30 -0.09 0.00 -0.04 0.00 0.00 33.50 32.33 1adn n PRO 21 CO 0.00 0.00 0.00 -0.97 -0.04 0.00 0.00 175.50 174.49 1adn h ASN 22 N 1.56 0.00 -0.04 3.54 -1.24 -1.88 -3.42 115.58 114.10 1adn h ASN 22 Ca 0.07 -0.53 0.00 0.00 0.71 0.00 0.00 56.30 56.55 1adn h ASN 22 Cb 1.11 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.16 1adn h ASN 22 CO 0.12 1.01 0.00 0.00 -1.29 0.00 0.00 177.43 177.27 1adn n ALA 23 N -3.00 2.07 0.26 1.57 0.00 -1.26 -4.85 120.51 115.30 1adn n ALA 23 Ca -0.14 -1.27 -0.11 0.00 0.00 0.00 0.00 53.44 51.92 1adn n ALA 23 Cb 0.41 -0.11 -0.05 0.00 0.00 0.00 0.00 19.45 19.70 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 0.22 -0.61 -0.06 0.00 5.19 -1.83 -2.78 116.42 116.55 1adn h ASP 24 Ca 0.00 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.44 1adn h ASP 24 Cb 0.61 0.17 0.00 0.00 0.18 0.00 0.00 39.33 40.29 1adn h ASP 24 CO 0.00 -0.41 0.00 0.61 -3.12 0.00 0.00 179.24 176.32 1adn n GLY 25 N -1.34 -0.02 0.24 2.75 0.00 -1.26 -2.52 105.19 103.04 1adn n GLY 25 Ca -0.08 -0.07 0.12 0.00 0.00 0.00 0.00 46.02 45.99 1adn n GLY 25 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1adn n GLU 26 N -0.20 0.73 -3.57 1.61 2.13 -1.05 -5.02 120.64 115.28 1adn n GLU 26 Ca 0.02 -0.48 -0.09 0.00 0.66 0.00 0.00 57.16 57.27 1adn n GLU 26 Cb 0.14 -1.49 -0.04 0.00 0.27 0.00 0.00 31.44 30.31 1adn n GLU 26 CO 0.00 0.00 0.00 -0.59 -0.41 0.00 0.00 177.13 176.13 1adn s PHE 27 N -2.60 -0.33 0.39 4.31 -0.71 -1.05 -4.68 117.98 113.32 1adn s PHE 27 Ca 0.20 0.49 0.08 0.00 -1.04 0.00 0.00 56.93 56.66 1adn s PHE 27 Cb 0.19 0.47 -0.02 0.00 -1.21 0.00 0.00 43.02 42.45 1adn s PHE 27 CO 0.57 -0.36 0.36 0.08 -1.34 0.00 0.00 175.22 174.54 1adn s VAL 28 N -1.58 2.94 -0.01 -2.49 1.01 0.14 -4.55 120.40 115.85 1adn s VAL 28 Ca 0.01 -1.34 -0.00 0.00 0.00 0.00 0.00 61.98 60.64 1adn s VAL 28 Cb -0.01 -3.05 0.02 0.00 0.00 0.00 0.00 36.38 33.34 1adn s VAL 28 CO -0.01 -0.05 0.02 0.72 0.00 0.00 0.00 175.10 175.77 1adn s PHE 29 N -2.42 0.01 -0.47 5.22 -0.71 -0.56 -1.49 117.98 117.55 1adn s PHE 29 Ca 0.46 0.09 0.03 0.00 -1.04 0.00 0.00 56.93 56.47 1adn s PHE 29 Cb -0.04 -0.12 0.13 0.00 -1.21 0.00 0.00 43.02 41.78 1adn s PHE 29 CO 0.28 -0.05 0.24 0.00 -1.34 0.00 0.00 175.22 174.34 1adn s ALA 30 N 0.58 2.78 -0.68 1.99 0.00 0.48 -0.89 121.76 126.02 1adn s ALA 30 Ca -0.05 -2.92 -0.27 0.00 0.00 0.00 0.00 51.96 48.72 1adn s ALA 30 Cb -0.07 -2.03 0.00 0.00 0.00 0.00 0.00 23.12 21.03 1adn s ALA 30 CO -0.02 -2.01 1.58 0.54 0.00 0.00 0.00 175.76 175.85 1adn s VAL 31 N 0.08 3.53 -0.18 0.00 0.11 -0.47 -0.16 120.40 123.31 1adn s VAL 31 Ca 0.17 0.29 -0.00 0.00 -2.93 0.00 0.00 61.98 59.51 1adn s VAL 31 Cb -0.25 -4.42 0.15 0.00 -1.53 0.00 0.00 36.38 30.34 1adn s VAL 31 CO -0.01 -1.37 1.82 -1.14 -3.33 0.00 0.00 175.10 171.07 1adn n ARG 32 N 9.28 1.46 -0.04 1.54 0.63 -1.09 -2.47 116.66 125.97 1adn n ARG 32 Ca 0.12 -0.94 -0.05 0.00 -0.92 0.00 0.00 57.85 56.06 1adn n ARG 32 Cb 0.51 -1.37 -0.04 0.00 0.45 0.00 0.00 32.46 32.01 1adn n ARG 32 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 1adn n THR 33 N 0.59 0.42 0.62 5.15 -1.04 -1.26 -4.61 114.28 114.15 1adn n THR 33 Ca 0.18 -0.18 0.12 0.00 -2.04 0.00 0.00 64.05 62.13 1adn n THR 33 Cb 0.62 -0.78 0.24 0.00 -1.82 0.00 0.00 70.33 68.60 1adn n THR 33 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1adn n THR 34 N -2.62 0.36 -3.29 12.58 -1.04 -1.22 -5.01 114.28 114.05 1adn n THR 34 Ca -0.12 -0.62 -0.16 0.00 -2.04 0.00 0.00 64.05 61.11 1adn n THR 34 Cb 0.65 0.92 0.08 0.00 -1.82 0.00 0.00 70.33 70.15 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 1.40 -0.28 2.96 3.41 0.00 -1.03 -5.04 105.19 106.62 1adn n GLY 35 Ca 0.18 0.05 -0.19 0.00 0.00 0.00 0.00 46.02 46.06 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 -3.30 0.60 -0.14 -0.61 -4.36 -1.10 -4.18 121.20 108.11 1adn s ILE 36 Ca 0.12 -0.26 0.02 0.00 -0.26 0.00 0.00 60.65 60.27 1adn s ILE 36 Cb -0.05 -0.54 0.01 0.00 1.25 0.00 0.00 42.46 43.12 1adn s ILE 36 CO 0.63 0.19 -0.21 0.72 0.24 0.00 0.00 174.94 176.52 1adn s PHE 37 N 0.21 2.68 0.14 1.37 -0.12 0.17 -1.36 117.98 121.07 1adn s PHE 37 Ca -0.03 -1.31 -0.16 0.00 -0.05 0.00 0.00 56.93 55.38 1adn s PHE 37 Cb -0.07 -1.82 0.03 0.00 -0.63 0.00 0.00 43.02 40.53 1adn s PHE 37 CO 0.00 -0.60 0.43 0.00 -0.05 0.00 0.00 175.22 175.00 1adn s ARG 39 N -3.82 4.20 -0.06 0.00 3.00 -1.08 -1.50 118.95 119.69 1adn s ARG 39 Ca 0.05 1.62 -0.01 0.00 -1.00 0.00 0.00 55.73 56.39 1adn s ARG 39 Cb 0.01 -3.78 -0.02 0.00 0.00 0.00 0.00 34.95 31.17 1adn s ARG 39 CO -0.10 -0.75 0.14 -2.30 0.00 0.00 0.00 175.30 172.30 1adn n PRO 40 N 6.68 0.00 0.00 5.12 -0.02 -1.26 -4.53 135.00 140.99 1adn n PRO 40 Ca 0.14 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 1adn n PRO 40 Cb 0.45 -0.07 0.00 0.00 -0.02 0.00 0.00 33.50 33.86 1adn n PRO 40 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1adn n SER 41 N 0.41 0.00 -3.57 2.55 3.41 -1.26 -4.82 113.62 110.33 1adn n SER 41 Ca 0.04 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.29 1adn n SER 41 Cb 0.01 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 63.84 1adn n SER 41 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1adn n ARG 43 N 6.65 0.83 -0.12 0.00 1.74 -1.26 -4.41 116.66 120.09 1adn n ARG 43 Ca 0.51 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 57.51 1adn n ARG 43 Cb 0.01 -1.50 0.08 0.00 -1.02 0.00 0.00 32.46 30.03 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 -1.05 -1.50 -0.47 7.54 0.00 -1.26 -4.75 120.51 119.01 1adn n ALA 44 Ca 0.21 -0.44 0.40 0.00 0.00 0.00 0.00 53.44 53.61 1adn n ALA 44 Cb 0.12 -0.04 0.62 0.00 0.00 0.00 0.00 19.45 20.15 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 -2.41 0.01 -2.71 0.00 1.85 -1.26 -4.87 116.66 107.26 1adn n ARG 45 Ca 0.04 1.00 -0.01 0.00 -1.00 0.00 0.00 57.85 57.88 1adn n ARG 45 Cb 0.17 -2.39 -0.01 0.00 -1.05 0.00 0.00 32.46 29.18 1adn n ARG 45 CO 0.00 0.00 0.00 1.58 -0.01 0.00 0.00 177.63 179.20 1adn n HIS 46 N -3.53 -4.00 -0.33 2.89 -0.00 -1.26 -5.00 115.22 103.99 1adn n HIS 46 Ca 0.34 1.92 -0.31 0.00 -0.00 0.00 0.00 57.72 59.67 1adn n HIS 46 Cb 1.72 -3.90 0.29 0.00 -0.00 0.00 0.00 29.99 28.10 1adn n HIS 46 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1adn s ALA 47 N -1.39 -0.82 0.70 1.57 0.00 -1.26 -5.03 121.76 115.53 1adn s ALA 47 Ca -0.07 -0.79 -0.10 0.00 0.00 0.00 0.00 51.96 51.01 1adn s ALA 47 Cb 0.00 -2.95 0.03 0.00 0.00 0.00 0.00 23.12 20.20 1adn s ALA 47 CO 0.76 -4.66 1.05 -0.48 0.00 0.00 0.00 175.76 172.44 1adn s LEU 48 N -7.90 2.90 -0.01 0.00 0.05 -1.26 -4.98 118.68 107.48 1adn s LEU 48 Ca 0.68 0.88 0.05 0.00 0.05 0.00 0.00 54.13 55.79 1adn s LEU 48 Cb -0.14 -3.61 0.14 0.00 -2.05 0.00 0.00 46.19 40.54 1adn s LEU 48 CO 0.58 -1.41 1.08 -2.11 -0.55 0.00 0.00 176.35 173.94 1adn n ARG 49 N -2.95 1.41 0.05 1.48 0.00 -1.26 -4.15 116.66 111.24 1adn n ARG 49 Ca 0.07 -0.57 0.12 0.00 -0.00 0.00 0.00 57.85 57.47 1adn n ARG 49 Cb 0.58 -1.18 0.24 0.00 -0.00 0.00 0.00 32.46 32.10 1adn n ARG 49 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 1adn n GLU 50 N -0.03 0.23 -0.18 2.89 0.28 -1.26 -3.83 120.64 118.74 1adn n GLU 50 Ca 0.05 0.08 0.02 0.00 -0.16 0.00 0.00 57.16 57.16 1adn n GLU 50 Cb 0.16 -1.66 0.03 0.00 1.43 0.00 0.00 31.44 31.41 1adn n GLU 50 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 1adn n ASN 51 N -2.00 0.94 -4.76 -1.84 6.94 -1.26 -5.11 115.26 108.17 1adn n ASN 51 Ca 0.04 -2.02 -0.36 0.00 -0.02 0.00 0.00 54.58 52.21 1adn n ASN 51 Cb 0.42 -0.17 -0.07 0.00 -2.36 0.00 0.00 39.78 37.60 1adn n ASN 51 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1adn s VAL 52 N -0.89 5.32 -0.15 3.53 0.11 -1.25 -2.68 120.40 124.39 1adn s VAL 52 Ca 0.08 0.48 -0.01 0.00 -2.93 0.00 0.00 61.98 59.60 1adn s VAL 52 Cb 0.07 -3.59 -0.01 0.00 -1.53 0.00 0.00 36.38 31.32 1adn s VAL 52 CO 0.01 0.44 -0.11 -0.55 -3.33 0.00 0.00 175.10 171.56 1adn s SER 53 N 0.11 4.08 -0.12 3.54 0.15 0.77 -4.80 113.70 117.43 1adn s SER 53 Ca 0.16 -0.34 -0.06 0.00 0.70 0.00 0.00 55.95 56.41 1adn s SER 53 Cb -0.13 -1.64 -0.04 0.00 -1.71 0.00 0.00 66.02 62.50 1adn s SER 53 CO 0.04 0.13 0.11 -0.36 1.20 0.00 0.00 173.24 174.36 1adn s PHE 54 N 0.58 3.49 0.28 3.44 0.08 -1.26 0.18 117.98 124.77 1adn s PHE 54 Ca -0.07 0.43 0.06 0.00 0.12 0.00 0.00 56.93 57.48 1adn s PHE 54 Cb -0.15 -1.93 -0.06 0.00 -0.57 0.00 0.00 43.02 40.31 1adn s PHE 54 CO 0.03 0.63 -0.05 0.71 -0.10 0.00 0.00 175.22 176.45 1adn s TYR 55 N -0.85 1.95 0.14 0.36 2.02 -0.56 -4.97 117.35 115.44 1adn s TYR 55 Ca 0.14 -0.72 0.07 0.00 -0.37 0.00 0.00 57.07 56.19 1adn s TYR 55 Cb -0.12 -1.13 -0.15 0.00 -0.40 0.00 0.00 41.96 40.16 1adn s TYR 55 CO 0.03 0.26 1.31 0.00 -1.57 0.00 0.00 175.55 175.58 1adn h ALA 56 N 2.26 0.41 -2.56 3.71 0.00 -1.87 0.40 119.26 121.61 1adn h ALA 56 Ca -0.40 -0.87 -0.09 0.00 0.00 0.00 0.00 54.91 53.55 1adn h ALA 56 Cb 1.23 -0.14 -0.15 0.00 0.00 0.00 0.00 17.79 18.73 1adn h ALA 56 CO 0.67 1.18 -0.32 1.21 0.00 0.00 0.00 179.25 182.00 1adn s ASN 57 N -6.75 0.01 0.00 0.00 3.84 -1.26 -3.18 114.94 107.60 1adn s ASN 57 Ca 0.00 -0.46 0.17 0.00 0.21 0.00 0.00 52.86 52.78 1adn s ASN 57 Cb 0.10 0.34 0.99 0.00 -0.55 0.00 0.00 41.25 42.14 1adn s ASN 57 CO 0.82 -0.68 1.40 0.00 -2.79 0.00 0.00 177.10 175.84 1adn n ALA 58 N 0.23 2.12 0.08 1.71 0.00 -1.26 -2.57 120.51 120.82 1adn n ALA 58 Ca -0.17 -0.10 -0.12 0.00 0.00 0.00 0.00 53.44 53.04 1adn n ALA 58 Cb 0.61 -1.27 -0.07 0.00 0.00 0.00 0.00 19.45 18.72 1adn n ALA 58 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1adn h SER 59 N 0.00 -0.16 0.09 0.00 0.87 -1.98 0.22 113.55 112.58 1adn h SER 59 Ca 0.00 0.01 -0.17 0.00 -1.23 0.00 0.00 61.79 60.40 1adn h SER 59 Cb 0.00 0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 62.01 1adn h SER 59 CO 0.00 -0.10 -0.62 1.05 -0.53 0.00 0.00 176.83 176.63 1adn h GLU 60 N -0.15 0.52 -0.89 2.24 4.11 -1.89 0.22 114.58 118.74 1adn h GLU 60 Ca -0.00 -0.36 0.01 0.00 0.07 0.00 0.00 59.36 59.08 1adn h GLU 60 Cb 0.14 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.40 1adn h GLU 60 CO -0.01 0.98 0.58 0.00 0.07 0.00 0.00 179.01 180.63 1adn h ALA 61 N 0.94 1.13 0.06 1.06 0.00 -1.58 1.47 119.26 122.33 1adn h ALA 61 Ca -0.01 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1adn h ALA 61 Cb 1.18 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1adn h ALA 61 CO 0.11 0.51 -0.03 1.25 0.00 0.00 0.00 179.25 181.09 1adn h LEU 62 N 1.18 -0.06 -1.98 0.00 5.85 -0.57 -2.17 115.31 117.56 1adn h LEU 62 Ca 0.33 -0.56 0.04 0.00 0.84 0.00 0.00 57.88 58.53 1adn h LEU 62 Cb -0.11 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 1adn h LEU 62 CO -0.08 0.58 0.37 0.00 -0.34 0.00 0.00 178.44 178.97 1adn h ALA 63 N 0.06 1.62 -0.52 1.25 0.00 -0.59 1.44 119.26 122.53 1adn h ALA 63 Ca -0.01 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 1adn h ALA 63 Cb 0.62 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1adn h ALA 63 CO 0.01 -0.45 -0.13 0.00 0.00 0.00 0.00 179.25 178.68 1adn h ALA 64 N 1.39 0.79 0.00 0.00 0.00 0.23 -3.48 119.26 118.18 1adn h ALA 64 Ca 0.07 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1adn h ALA 64 Cb 0.82 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1adn h ALA 64 CO -0.00 0.66 0.00 0.41 0.00 0.00 0.00 179.25 180.32 1adn n GLY 65 N -0.27 1.96 1.60 0.00 0.00 0.49 -5.07 105.19 103.91 1adn n GLY 65 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.67 -2.39 -3.12 1.61 7.35 -0.87 -5.04 117.46 114.33 1adn n PHE 66 Ca 0.00 -0.89 -0.45 0.00 -0.76 0.00 0.00 57.45 55.35 1adn n PHE 66 Cb 0.00 -0.22 -0.04 0.00 0.35 0.00 0.00 39.48 39.57 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 -3.05 3.11 -0.28 -4.13 3.00 -1.26 -4.79 118.95 111.54 1adn s ARG 67 Ca 0.23 -1.43 -0.30 0.00 -1.00 0.00 0.00 55.73 53.22 1adn s ARG 67 Cb -0.02 -4.32 -0.07 0.00 0.00 0.00 0.00 34.95 30.54 1adn s ARG 67 CO 0.14 -1.54 2.23 -2.30 0.00 0.00 0.00 175.30 173.84 1adn n PRO 68 N 6.17 1.60 -4.06 5.12 -0.02 -1.25 -0.66 135.00 141.90 1adn n PRO 68 Ca -0.06 0.42 -0.33 0.00 -2.02 0.00 0.00 63.50 61.50 1adn n PRO 68 Cb 0.43 -2.98 -0.15 0.00 -0.02 0.00 0.00 33.50 30.78 1adn n PRO 68 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1adn n LYS 70 N 4.57 1.46 -2.33 0.00 5.02 -1.26 -2.62 118.16 123.01 1adn n LYS 70 Ca -0.18 -2.96 -0.03 0.00 -2.02 0.00 0.00 58.31 53.12 1adn n LYS 70 Cb 0.47 -1.57 0.02 0.00 -0.02 0.00 0.00 35.03 33.92 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 -1.26 0.35 -1.11 1.97 0.63 -1.26 -5.00 116.66 110.98 1adn n ARG 71 Ca 0.18 -0.65 0.00 0.00 -0.92 0.00 0.00 57.85 56.46 1adn n ARG 71 Cb 0.67 0.04 0.00 0.00 0.45 0.00 0.00 32.46 33.62 1adn n ARG 71 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1adn h GLN 73 N 0.79 -0.01 -2.08 0.00 -0.00 -1.94 -3.44 115.11 108.43 1adn h GLN 73 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 58.65 58.56 1adn h GLN 73 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 27.48 27.45 1adn h GLN 73 CO 0.00 -0.01 0.67 -2.30 0.00 0.00 0.00 178.83 177.19 1adn n PRO 74 N -5.47 0.00 -2.98 -2.39 -0.02 -1.26 -4.84 135.00 118.04 1adn n PRO 74 Ca 0.10 0.00 -0.16 0.00 -2.02 0.00 0.00 63.50 61.42 1adn n PRO 74 Cb 0.40 -0.42 -0.01 0.00 -0.02 0.00 0.00 33.50 33.45 1adn n PRO 74 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1adn n ASP 75 N 2.11 -1.45 0.05 2.55 8.00 -1.26 -4.88 116.55 121.67 1adn n ASP 75 Ca 0.16 -2.97 0.11 0.00 0.71 0.00 0.00 54.79 52.81 1adn n ASP 75 Cb 0.12 0.62 -0.05 0.00 -0.02 0.00 0.00 41.12 41.79 1adn n ASP 75 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1adn n LYS 76 N 1.66 0.54 0.00 -1.24 4.76 -1.26 -4.50 118.16 118.12 1adn n LYS 76 Ca 0.16 -0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.58 1adn n LYS 76 Cb 0.58 -1.67 0.00 0.00 -1.84 0.00 0.00 35.03 32.10 1adn n LYS 76 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1adn n ALA 77 N -2.11 0.00 0.00 7.82 0.00 -1.26 -4.61 120.51 120.34 1adn n ALA 77 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1adn n ALA 77 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 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 -1.76 0.00 -4.68 0.00 3.02 -1.26 -5.21 115.26 105.37 1adn n ASN 78 Ca 0.00 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.26 1adn n ASN 78 Cb 0.00 0.00 0.17 0.00 -0.61 0.00 0.00 39.78 39.34 1adn n ASN 78 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1adn s PRO 79 N 0.00 0.64 -0.54 3.52 0.04 -1.26 -4.75 135.00 132.65 1adn s PRO 79 Ca 0.00 0.69 -0.08 0.00 0.04 0.00 0.00 61.00 61.65 1adn s PRO 79 Cb 0.00 -1.75 0.01 0.00 0.04 0.00 0.00 34.50 32.80 1adn s PRO 79 CO 0.00 -2.63 0.60 0.54 0.04 0.00 0.00 177.00 175.55 1adn n ARG 80 N -4.13 -1.73 -0.02 4.56 1.74 -1.26 -4.97 116.66 110.85 1adn n ARG 80 Ca 0.06 1.73 -0.02 0.00 -0.77 0.00 0.00 57.85 58.85 1adn n ARG 80 Cb 0.56 -5.41 -0.01 0.00 -1.02 0.00 0.00 32.46 26.57 1adn n ARG 80 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1adn h GLN 81 N 1.16 -0.05 0.00 5.56 7.50 -2.08 -3.49 115.11 123.72 1adn h GLN 81 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 1adn h GLN 81 Cb 0.96 0.01 0.00 0.00 0.05 0.00 0.00 27.48 28.50 1adn h GLN 81 CO 0.23 -0.03 0.00 1.58 -1.50 0.00 0.00 178.83 179.11 1adn n HIS 82 N -3.10 0.00 -2.05 2.96 -0.00 -1.26 -5.13 115.22 106.64 1adn n HIS 82 Ca -0.00 0.00 -0.43 0.00 0.46 0.00 0.00 57.72 57.75 1adn n HIS 82 Cb 0.04 0.00 -0.03 0.00 -0.12 0.00 0.00 29.99 29.89 1adn n HIS 82 CO 0.00 0.00 0.00 -0.98 0.46 0.00 0.00 176.34 175.82 1adn s ARG 83 N 1.68 3.76 -0.02 1.57 1.70 -1.26 -4.86 118.95 121.52 1adn s ARG 83 Ca 0.00 1.74 0.20 0.00 -0.47 0.00 0.00 55.73 57.20 1adn s ARG 83 Cb 0.00 -4.07 0.35 0.00 -0.57 0.00 0.00 34.95 30.66 1adn s ARG 83 CO 0.00 -1.34 1.14 1.47 -1.08 0.00 0.00 175.30 175.49 1adn n LEU 84 N 8.66 0.95 -2.36 -1.89 -0.00 -1.26 -5.08 117.00 116.02 1adn n LEU 84 Ca 0.20 -1.96 -0.01 0.00 -0.00 0.00 0.00 56.01 54.24 1adn n LEU 84 Cb 0.45 -0.04 -0.01 0.00 -0.00 0.00 0.00 43.42 43.82 1adn n LEU 84 CO 0.65 0.52 -0.38 -0.67 -0.00 0.00 0.00 177.39 177.51 1adn n ASP 85 N 0.27 -5.51 0.00 1.45 2.03 -1.26 -5.08 116.55 108.45 1adn n ASP 85 Ca 0.06 1.03 0.00 0.00 0.52 0.00 0.00 54.79 56.40 1adn n ASP 85 Cb 1.03 -4.12 0.00 0.00 -0.72 0.00 0.00 41.12 37.30 1adn n ASP 85 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1adn n LYS 86 N 0.62 0.00 -4.58 -0.67 4.76 -1.26 -5.10 118.16 111.93 1adn n LYS 86 Ca -0.05 0.02 -0.28 0.00 -2.87 0.00 0.00 58.31 55.13 1adn n LYS 86 Cb 0.07 -0.41 -0.08 0.00 -1.84 0.00 0.00 35.03 32.78 1adn n LYS 86 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 1adn s ILE 87 N -0.04 0.59 -0.19 -0.18 -4.36 -1.26 -5.10 121.20 110.66 1adn s ILE 87 Ca 0.00 -2.00 0.18 0.00 -0.26 0.00 0.00 60.65 58.57 1adn s ILE 87 Cb 0.00 -2.22 0.47 0.00 1.25 0.00 0.00 42.46 41.95 1adn s ILE 87 CO 0.00 0.00 1.16 1.07 0.24 0.00 0.00 174.94 177.41 1adn n THR 88 N -1.03 1.37 -4.19 8.37 5.66 -1.26 -5.11 114.28 118.10 1adn n THR 88 Ca -0.09 -2.78 -0.09 0.00 -3.05 0.00 0.00 64.05 58.03 1adn n THR 88 Cb 0.65 0.46 -0.03 0.00 -1.55 0.00 0.00 70.33 69.86 1adn n THR 88 CO 0.00 0.00 0.00 1.57 -3.05 0.00 0.00 175.07 173.59 1adn n HIS 89 N -0.43 0.07 -0.44 1.09 -0.00 -1.26 -5.18 115.22 109.08 1adn n HIS 89 Ca 0.17 -0.94 -0.30 0.00 -0.00 0.00 0.00 57.72 56.64 1adn n HIS 89 Cb 0.91 -0.01 0.28 0.00 -0.00 0.00 0.00 29.99 31.17 1adn n HIS 89 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1adn s ALA 90 N -2.39 -0.64 -0.49 1.57 0.00 -1.26 -5.05 121.76 113.50 1adn s ALA 90 Ca 0.07 -0.75 0.04 0.00 0.00 0.00 0.00 51.96 51.32 1adn s ALA 90 Cb 0.00 -2.97 0.17 0.00 0.00 0.00 0.00 23.12 20.32 1adn s ALA 90 CO 0.05 -4.47 0.38 0.00 0.00 0.00 0.00 175.76 171.73