#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1adn n LYS 2 N 0.00 1.40 -1.67 0.03 4.81 -1.26 -4.93 118.16 116.55 1adn n LYS 2 Ca 0.00 -1.99 -0.00 0.00 -0.87 0.00 0.00 58.31 55.44 1adn n LYS 2 Cb 0.00 -0.24 -0.00 0.00 0.02 0.00 0.00 35.03 34.81 1adn n LYS 2 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1adn n LYS 3 N -1.06 1.66 -0.11 1.64 4.81 -1.26 -5.05 118.16 118.79 1adn n LYS 3 Ca -0.08 -0.01 0.04 0.00 -0.87 0.00 0.00 58.31 57.40 1adn n LYS 3 Cb 0.85 0.00 0.14 0.00 0.02 0.00 0.00 35.03 36.04 1adn n LYS 3 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1adn n ALA 4 N -3.00 2.47 0.00 3.14 0.00 -1.26 -4.09 120.51 117.78 1adn n ALA 4 Ca -0.00 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.05 1adn n ALA 4 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 1adn n ALA 4 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1adn n THR 5 N 0.13 0.00 -2.83 0.00 5.66 -1.26 -4.99 114.28 110.99 1adn n THR 5 Ca 0.08 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.66 1adn n THR 5 Cb 0.19 -0.49 -0.04 0.00 -1.55 0.00 0.00 70.33 68.44 1adn n THR 5 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1adn n LEU 7 N 7.48 0.00 0.00 0.00 4.77 -1.26 -4.12 117.00 123.87 1adn n LEU 7 Ca 0.02 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.97 1adn n LEU 7 Cb 0.48 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.56 1adn n LEU 7 CO 0.64 0.00 0.08 0.41 -1.33 0.00 0.00 177.39 177.18 1adn n THR 8 N 0.00 0.00 0.28 -5.08 -1.04 -1.26 -4.86 114.28 102.32 1adn n THR 8 Ca 0.00 -0.36 0.18 0.00 -2.04 0.00 0.00 64.05 61.84 1adn n THR 8 Cb 0.00 0.26 0.93 0.00 -1.82 0.00 0.00 70.33 69.69 1adn n THR 8 CO 0.00 0.00 0.00 -2.24 -0.64 0.00 0.00 175.07 172.19 1adn h ASP 9 N 0.48 0.00 -0.59 8.00 3.04 -2.00 -1.46 116.42 123.89 1adn h ASP 9 Ca -0.07 0.00 -0.05 0.00 -3.24 0.00 0.00 57.03 53.66 1adn h ASP 9 Cb 0.29 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.56 1adn h ASP 9 CO 0.09 0.00 0.16 -2.24 -2.04 0.00 0.00 179.24 175.21 1adn h ASP 10 N 0.00 0.89 -0.16 4.15 3.04 -1.99 -2.29 116.42 120.06 1adn h ASP 10 Ca 0.04 -0.22 -0.05 0.00 -3.24 0.00 0.00 57.03 53.56 1adn h ASP 10 Cb 0.43 -0.23 -0.00 0.00 -1.04 0.00 0.00 39.33 38.49 1adn h ASP 10 CO -0.00 0.88 -0.10 -0.61 -2.04 0.00 0.00 179.24 177.37 1adn h GLN 11 N 0.85 0.35 -0.15 4.15 4.15 -1.67 -0.34 115.11 122.45 1adn h GLN 11 Ca 0.19 -0.16 0.01 0.00 0.77 0.00 0.00 58.65 59.46 1adn h GLN 11 Cb 0.33 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.99 1adn h GLN 11 CO -0.00 0.69 -0.10 0.00 -1.93 0.00 0.00 178.83 177.49 1adn h ARG 12 N 0.01 -0.01 0.00 1.69 -0.00 -1.47 0.26 114.38 114.85 1adn h ARG 12 Ca 0.03 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.51 1adn h ARG 12 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.57 1adn h ARG 12 CO 0.03 -0.01 0.00 2.35 0.00 0.00 0.00 179.97 182.34 1adn h TRP 13 N -0.01 0.00 -0.18 3.04 2.91 -1.49 0.11 115.95 120.34 1adn h TRP 13 Ca 0.02 0.00 -0.07 0.00 1.13 0.00 0.00 58.89 59.98 1adn h TRP 13 Cb 0.08 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 28.71 1adn h TRP 13 CO -0.90 0.00 -0.18 0.37 -1.03 0.00 0.00 178.44 176.70 1adn h GLN 14 N 0.00 0.31 -1.00 2.65 4.15 -0.54 0.12 115.11 120.79 1adn h GLN 14 Ca 0.00 -0.09 0.09 0.00 0.77 0.00 0.00 58.65 59.42 1adn h GLN 14 Cb 0.68 -0.03 -0.08 0.00 0.21 0.00 0.00 27.48 28.26 1adn h GLN 14 CO 0.00 0.49 0.64 1.03 -1.93 0.00 0.00 178.83 179.06 1adn h SER 15 N 0.28 0.98 0.61 -0.69 0.87 0.22 0.15 113.55 115.98 1adn h SER 15 Ca 0.05 0.03 -0.03 0.00 -1.23 0.00 0.00 61.79 60.61 1adn h SER 15 Cb 0.49 -0.18 0.01 0.00 -0.44 0.00 0.00 62.40 62.28 1adn h SER 15 CO 0.03 0.58 -0.29 0.58 -0.53 0.00 0.00 176.83 177.20 1adn h VAL 16 N 1.09 0.25 -0.36 2.23 2.07 -0.98 -3.17 116.25 117.38 1adn h VAL 16 Ca 0.46 -0.32 0.08 0.00 0.82 0.00 0.00 66.70 67.74 1adn h VAL 16 Cb 0.33 0.33 -0.07 0.00 -1.52 0.00 0.00 31.29 30.35 1adn h VAL 16 CO -0.22 0.03 -0.14 -0.07 0.02 0.00 0.00 177.57 177.19 1adn h LEU 17 N -1.06 -0.49 0.00 2.57 3.38 -0.71 -2.69 115.31 116.30 1adn h LEU 17 Ca -0.08 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1adn h LEU 17 Cb 0.68 0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1adn h LEU 17 CO 0.14 -0.18 0.00 0.00 0.09 0.00 0.00 178.44 178.49 1adn n ALA 18 N -2.74 2.65 -0.16 1.53 0.00 0.51 -4.94 120.51 117.36 1adn n ALA 18 Ca 0.01 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1adn n ALA 18 Cb 0.24 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.24 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 -0.94 -0.04 -0.04 0.00 1.85 -1.02 -4.77 116.66 111.71 1adn n ARG 19 Ca 0.21 -0.02 -0.19 0.00 -1.00 0.00 0.00 57.85 56.85 1adn n ARG 19 Cb 0.10 0.03 -0.13 0.00 -1.05 0.00 0.00 32.46 31.41 1adn n ARG 19 CO 0.00 0.00 0.00 0.22 -0.01 0.00 0.00 177.63 177.84 1adn h ASP 20 N 0.12 0.18 -4.33 2.89 3.58 -1.91 -3.50 116.42 113.45 1adn h ASP 20 Ca 0.00 -0.80 -0.19 0.00 0.42 0.00 0.00 57.03 56.46 1adn h ASP 20 Cb 0.00 -0.06 0.03 0.00 1.72 0.00 0.00 39.33 41.02 1adn h ASP 20 CO 0.00 1.40 0.03 -0.81 -2.88 0.00 0.00 179.24 176.98 1adn n PRO 21 N -4.27 0.41 0.00 0.28 -0.04 -1.26 -5.14 135.00 124.98 1adn n PRO 21 Ca -0.22 -1.13 0.00 0.00 -0.04 0.00 0.00 63.50 62.11 1adn n PRO 21 Cb 0.72 -0.24 0.00 0.00 -0.04 0.00 0.00 33.50 33.94 1adn n PRO 21 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1adn n ASN 22 N -2.92 0.00 -3.29 3.54 5.15 -1.26 -4.98 115.26 111.49 1adn n ASN 22 Ca 0.07 0.16 -0.11 0.00 -0.60 0.00 0.00 54.58 54.10 1adn n ASN 22 Cb 0.24 -0.30 -0.05 0.00 -0.53 0.00 0.00 39.78 39.14 1adn n ASN 22 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1adn s ALA 23 N -3.59 -1.04 -0.47 5.20 0.00 -1.26 -4.51 121.76 116.09 1adn s ALA 23 Ca 0.00 -0.65 -0.43 0.00 0.00 0.00 0.00 51.96 50.89 1adn s ALA 23 Cb 0.00 -2.28 -0.18 0.00 0.00 0.00 0.00 23.12 20.65 1adn s ALA 23 CO 0.00 -2.17 1.80 -0.25 0.00 0.00 0.00 175.76 175.13 1adn n ASP 24 N 4.19 0.89 0.00 0.00 8.00 -1.26 -2.99 116.55 125.38 1adn n ASP 24 Ca 0.12 0.84 0.00 0.00 0.71 0.00 0.00 54.79 56.46 1adn n ASP 24 Cb 0.49 -0.84 0.00 0.00 -0.02 0.00 0.00 41.12 40.75 1adn n ASP 24 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1adn n GLY 25 N 5.66 1.64 0.52 0.44 0.00 -1.26 -2.71 105.19 109.48 1adn n GLY 25 Ca 0.42 -0.46 -0.01 0.00 0.00 0.00 0.00 46.02 45.97 1adn n GLY 25 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1adn n GLU 26 N 0.00 0.00 -0.46 1.61 0.28 -1.16 -5.14 120.64 115.77 1adn n GLU 26 Ca 0.00 -0.14 -0.29 0.00 -0.16 0.00 0.00 57.16 56.57 1adn n GLU 26 Cb 0.00 0.08 0.24 0.00 1.43 0.00 0.00 31.44 33.19 1adn n GLU 26 CO 0.00 0.00 0.00 1.97 -0.16 0.00 0.00 177.13 178.94 1adn n PHE 27 N 0.00 -2.04 -3.73 -1.84 -1.74 -0.79 -3.97 117.46 103.35 1adn n PHE 27 Ca -0.04 -0.24 -0.10 0.00 -0.56 0.00 0.00 57.45 56.51 1adn n PHE 27 Cb 0.48 -1.55 -0.06 0.00 1.52 0.00 0.00 39.48 39.87 1adn n PHE 27 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 1adn s VAL 28 N -2.26 0.10 -0.02 1.97 -7.23 0.47 -4.74 120.40 108.69 1adn s VAL 28 Ca 0.62 -0.81 0.00 0.00 -1.81 0.00 0.00 61.98 59.99 1adn s VAL 28 Cb -0.18 -1.21 0.02 0.00 0.56 0.00 0.00 36.38 35.58 1adn s VAL 28 CO 0.61 -0.45 0.01 0.72 -0.31 0.00 0.00 175.10 175.68 1adn s PHE 29 N -3.71 0.17 -0.29 2.82 -0.71 -0.42 -1.14 117.98 114.70 1adn s PHE 29 Ca 0.03 0.04 0.02 0.00 -1.04 0.00 0.00 56.93 55.98 1adn s PHE 29 Cb 0.03 -0.28 0.07 0.00 -1.21 0.00 0.00 43.02 41.63 1adn s PHE 29 CO -0.11 -0.09 -0.05 0.00 -1.34 0.00 0.00 175.22 173.64 1adn s ALA 30 N 0.81 2.70 -0.68 1.99 0.00 -0.56 -1.06 121.76 124.96 1adn s ALA 30 Ca -0.07 -1.92 -0.18 0.00 0.00 0.00 0.00 51.96 49.79 1adn s ALA 30 Cb -0.11 -1.77 0.13 0.00 0.00 0.00 0.00 23.12 21.38 1adn s ALA 30 CO -0.02 -1.32 0.76 0.54 0.00 0.00 0.00 175.76 175.73 1adn s VAL 31 N 1.11 4.97 -1.25 0.00 0.11 -0.95 0.21 120.40 124.59 1adn s VAL 31 Ca -0.04 -1.38 -0.15 0.00 -2.93 0.00 0.00 61.98 57.48 1adn s VAL 31 Cb -0.20 -4.52 0.13 0.00 -1.53 0.00 0.00 36.38 30.27 1adn s VAL 31 CO -0.05 -1.15 1.58 -2.11 -3.33 0.00 0.00 175.10 170.04 1adn n ARG 32 N 5.87 3.31 0.06 1.54 1.85 -1.09 -3.64 116.66 124.57 1adn n ARG 32 Ca -0.01 -3.61 0.00 0.00 -1.00 0.00 0.00 57.85 53.23 1adn n ARG 32 Cb 0.44 -3.20 0.00 0.00 -1.05 0.00 0.00 32.46 28.65 1adn n ARG 32 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 1adn n THR 33 N 5.17 0.04 0.72 8.89 -1.04 -1.26 -4.86 114.28 121.93 1adn n THR 33 Ca 0.41 0.01 0.12 0.00 -2.04 0.00 0.00 64.05 62.56 1adn n THR 33 Cb 0.43 -0.58 0.22 0.00 -1.82 0.00 0.00 70.33 68.59 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 -2.94 0.28 -2.21 12.58 -1.04 -1.26 -5.02 114.28 114.67 1adn n THR 34 Ca 0.00 -0.59 -0.03 0.00 -2.04 0.00 0.00 64.05 61.39 1adn n THR 34 Cb 0.02 1.03 0.02 0.00 -1.82 0.00 0.00 70.33 69.58 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 1.39 0.32 2.98 3.41 0.00 -1.26 -5.10 105.19 106.94 1adn n GLY 35 Ca 0.17 -0.35 -0.21 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.07 0.81 0.08 -0.61 -4.36 -1.24 -4.30 121.20 108.51 1adn s ILE 36 Ca 0.01 -0.33 0.10 0.00 -0.26 0.00 0.00 60.65 60.17 1adn s ILE 36 Cb -0.00 -0.75 -0.03 0.00 1.25 0.00 0.00 42.46 42.92 1adn s ILE 36 CO 0.13 0.27 -0.27 0.72 0.24 0.00 0.00 174.94 176.04 1adn s PHE 37 N 0.50 2.32 0.10 1.37 -0.71 0.38 -2.25 117.98 119.70 1adn s PHE 37 Ca -0.08 -0.40 -0.21 0.00 -1.04 0.00 0.00 56.93 55.20 1adn s PHE 37 Cb -0.12 -1.34 0.05 0.00 -1.21 0.00 0.00 43.02 40.40 1adn s PHE 37 CO 0.01 0.21 0.51 0.00 -1.34 0.00 0.00 175.22 174.61 1adn s ARG 39 N -3.25 3.34 0.00 0.00 6.06 -1.09 -1.30 118.95 122.72 1adn s ARG 39 Ca -0.01 0.37 0.00 0.00 -2.50 0.00 0.00 55.73 53.59 1adn s ARG 39 Cb 0.00 -4.10 0.00 0.00 0.06 0.00 0.00 34.95 30.91 1adn s ARG 39 CO -0.08 -1.90 0.00 -2.30 -2.50 0.00 0.00 175.30 168.52 1adn n PRO 40 N 8.66 0.00 0.00 5.12 -0.02 -1.26 -4.68 135.00 142.81 1adn n PRO 40 Ca 0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 1adn n PRO 40 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.97 1adn n PRO 40 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1adn n SER 41 N 0.00 0.00 -4.65 2.55 2.88 -1.26 -4.87 113.62 108.26 1adn n SER 41 Ca 0.00 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.12 1adn n SER 41 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 1adn n SER 41 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1adn h ARG 43 N 11.12 0.27 0.00 0.00 3.08 -1.97 -3.37 114.38 123.51 1adn h ARG 43 Ca -0.49 -0.33 -0.03 0.00 0.07 0.00 0.00 59.98 59.21 1adn h ARG 43 Cb 1.24 0.10 0.02 0.00 0.08 0.00 0.00 29.97 31.41 1adn h ARG 43 CO 0.94 1.06 -0.01 0.00 -1.07 0.00 0.00 179.97 180.88 1adn n ALA 44 N -2.50 -0.41 -1.51 0.04 0.00 -1.26 -4.72 120.51 110.15 1adn n ALA 44 Ca -0.05 -0.12 -0.14 0.00 0.00 0.00 0.00 53.44 53.13 1adn n ALA 44 Cb 0.86 -0.01 -0.11 0.00 0.00 0.00 0.00 19.45 20.20 1adn n ALA 44 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1adn n ARG 45 N -2.01 0.32 -1.67 0.00 0.63 -1.26 -4.90 116.66 107.77 1adn n ARG 45 Ca 0.01 -0.78 -0.33 0.00 -0.92 0.00 0.00 57.85 55.83 1adn n ARG 45 Cb 0.05 -3.02 0.06 0.00 0.45 0.00 0.00 32.46 29.99 1adn n ARG 45 CO 0.00 0.00 0.00 -3.38 -2.51 0.00 0.00 177.63 171.74 1adn s HIS 46 N 11.39 2.50 0.50 -0.14 -3.43 -1.26 -4.95 115.29 119.91 1adn s HIS 46 Ca 0.93 1.56 -0.20 0.00 -0.80 0.00 0.00 55.06 56.55 1adn s HIS 46 Cb -0.25 -3.22 -0.10 0.00 -1.43 0.00 0.00 32.58 27.58 1adn s HIS 46 CO 0.19 -1.87 0.67 0.00 -2.00 0.00 0.00 174.74 171.73 1adn n ALA 47 N -2.53 -0.86 -1.82 -1.38 0.00 -1.26 -5.00 120.51 107.66 1adn n ALA 47 Ca 0.11 0.08 -0.31 0.00 0.00 0.00 0.00 53.44 53.32 1adn n ALA 47 Cb 0.52 -1.89 0.01 0.00 0.00 0.00 0.00 19.45 18.09 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 0.52 3.28 -0.03 0.00 1.02 -1.26 -4.99 118.68 117.22 1adn s LEU 48 Ca 0.67 1.48 0.07 0.00 0.02 0.00 0.00 54.13 56.36 1adn s LEU 48 Cb -0.51 -4.48 0.25 0.00 0.02 0.00 0.00 46.19 41.47 1adn s LEU 48 CO 0.55 -0.91 1.12 -2.11 0.02 0.00 0.00 176.35 175.02 1adn n ARG 49 N -2.61 1.86 0.06 1.70 -4.01 -1.26 -4.11 116.66 108.28 1adn n ARG 49 Ca 0.06 -1.00 0.01 0.00 -1.04 0.00 0.00 57.85 55.88 1adn n ARG 49 Cb 0.54 -1.38 -0.06 0.00 -3.04 0.00 0.00 32.46 28.52 1adn n ARG 49 CO 0.00 0.00 0.00 1.05 -3.04 0.00 0.00 177.63 175.64 1adn h GLU 50 N 1.50 0.00 0.00 2.89 4.11 -2.01 -3.35 114.58 117.71 1adn h GLU 50 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1adn h GLU 50 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1adn h GLU 50 CO 0.06 0.33 -0.23 0.27 0.07 0.00 0.00 179.01 179.51 1adn n ASN 51 N -2.96 1.11 -4.89 3.06 6.94 -1.26 -5.11 115.26 112.14 1adn n ASN 51 Ca -0.07 -2.39 -0.34 0.00 -0.02 0.00 0.00 54.58 51.77 1adn n ASN 51 Cb 0.81 -0.27 -0.05 0.00 -2.36 0.00 0.00 39.78 37.91 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 -1.26 5.36 0.41 3.53 0.11 -1.26 -2.66 120.40 124.62 1adn s VAL 52 Ca 0.13 0.02 0.01 0.00 -2.93 0.00 0.00 61.98 59.21 1adn s VAL 52 Cb 0.12 -3.55 0.01 0.00 -1.53 0.00 0.00 36.38 31.43 1adn s VAL 52 CO 0.01 0.34 0.10 -0.24 -3.33 0.00 0.00 175.10 171.98 1adn n SER 53 N 1.01 2.86 -3.71 3.54 2.88 0.13 -4.90 113.62 115.43 1adn n SER 53 Ca -0.11 -2.65 -0.11 0.00 -1.33 0.00 0.00 58.87 54.66 1adn n SER 53 Cb 0.53 0.18 -0.11 0.00 -0.75 0.00 0.00 64.21 64.05 1adn n SER 53 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 1adn s PHE 54 N -2.33 -0.51 0.07 0.66 0.40 -1.26 -1.50 117.98 113.51 1adn s PHE 54 Ca 0.08 1.13 0.02 0.00 -0.60 0.00 0.00 56.93 57.56 1adn s PHE 54 Cb -0.01 0.20 -0.03 0.00 0.51 0.00 0.00 43.02 43.69 1adn s PHE 54 CO 0.05 -0.28 -0.08 0.71 0.70 0.00 0.00 175.22 176.32 1adn s TYR 55 N 1.02 0.82 -0.28 0.36 1.51 -0.29 -4.97 117.35 115.51 1adn s TYR 55 Ca -0.07 -0.67 0.28 0.00 -1.01 0.00 0.00 57.07 55.60 1adn s TYR 55 Cb -0.07 -0.48 1.01 0.00 -0.11 0.00 0.00 41.96 42.31 1adn s TYR 55 CO -0.08 -0.09 1.81 0.00 -1.11 0.00 0.00 175.55 176.08 1adn h ALA 56 N 3.81 1.00 -2.98 3.71 0.00 -1.89 1.38 119.26 124.29 1adn h ALA 56 Ca -0.36 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.59 1adn h ALA 56 Cb 1.19 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.90 1adn h ALA 56 CO 0.51 0.00 0.23 0.54 0.00 0.00 0.00 179.25 180.53 1adn s ASN 57 N -5.17 -0.36 0.18 0.00 6.03 -1.25 -1.89 114.94 112.48 1adn s ASN 57 Ca 0.04 -0.40 -0.22 0.00 -1.03 0.00 0.00 52.86 51.25 1adn s ASN 57 Cb 0.09 0.68 0.09 0.00 -3.03 0.00 0.00 41.25 39.08 1adn s ASN 57 CO 0.52 -1.21 1.59 0.00 -2.03 0.00 0.00 177.10 175.97 1adn h ALA 58 N 2.00 -0.13 0.00 3.54 0.00 -1.89 -2.67 119.26 120.11 1adn h ALA 58 Ca -0.24 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1adn h ALA 58 Cb 1.27 0.76 0.00 0.00 0.00 0.00 0.00 17.79 19.82 1adn h ALA 58 CO 0.28 -0.71 0.56 1.03 0.00 0.00 0.00 179.25 180.41 1adn h SER 59 N -0.21 0.00 0.01 0.00 0.87 -1.98 0.46 113.55 112.70 1adn h SER 59 Ca 0.20 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.76 1adn h SER 59 Cb 0.55 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.51 1adn h SER 59 CO -0.62 0.00 -0.01 -0.08 -0.53 0.00 0.00 176.83 175.60 1adn h GLU 60 N 0.00 -0.02 0.00 2.24 4.57 -1.90 -2.05 114.58 117.43 1adn h GLU 60 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1adn h GLU 60 Cb 1.12 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.71 1adn h GLU 60 CO 0.00 -0.01 0.38 0.00 -1.18 0.00 0.00 179.01 178.20 1adn h ALA 61 N -1.91 1.28 0.10 2.92 0.00 -1.09 0.54 119.26 121.09 1adn h ALA 61 Ca -0.00 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.64 1adn h ALA 61 Cb 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1adn h ALA 61 CO 0.00 -0.28 -1.42 -0.07 0.00 0.00 0.00 179.25 177.49 1adn h LEU 62 N 0.00 0.32 -1.96 0.00 3.38 -0.32 -2.34 115.31 114.39 1adn h LEU 62 Ca 0.00 -0.82 0.23 0.00 0.09 0.00 0.00 57.88 57.38 1adn h LEU 62 Cb 0.77 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.38 1adn h LEU 62 CO 0.00 1.61 0.57 0.00 0.09 0.00 0.00 178.44 180.71 1adn h ALA 63 N -0.09 2.71 -0.56 1.53 0.00 0.62 1.44 119.26 124.91 1adn h ALA 63 Ca -0.32 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.47 1adn h ALA 63 Cb 1.70 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.53 1adn h ALA 63 CO 0.02 -0.94 -0.04 0.00 0.00 0.00 0.00 179.25 178.29 1adn h ALA 64 N 1.60 0.87 0.00 0.00 0.00 -0.52 -3.48 119.26 117.74 1adn h ALA 64 Ca 0.38 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1adn h ALA 64 Cb 1.49 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1adn h ALA 64 CO -0.02 0.65 0.00 0.41 0.00 0.00 0.00 179.25 180.30 1adn n GLY 65 N -0.42 0.70 3.18 0.00 0.00 0.49 -5.10 105.19 104.05 1adn n GLY 65 Ca 0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.82 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 0.00 -0.68 -3.14 1.61 7.35 -0.90 -5.03 117.46 116.68 1adn n PHE 66 Ca 0.00 -1.96 -0.45 0.00 -0.76 0.00 0.00 57.45 54.29 1adn n PHE 66 Cb 0.00 -0.37 -0.04 0.00 0.35 0.00 0.00 39.48 39.42 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 -3.88 3.13 -0.55 -4.13 6.06 -1.26 -4.84 118.95 113.47 1adn s ARG 67 Ca 0.25 -1.50 -0.27 0.00 -2.50 0.00 0.00 55.73 51.71 1adn s ARG 67 Cb -0.02 -4.33 -0.00 0.00 0.06 0.00 0.00 34.95 30.66 1adn s ARG 67 CO 0.16 -1.51 1.61 -1.25 -2.50 0.00 0.00 175.30 171.81 1adn s PRO 68 N 2.34 3.08 -0.66 5.12 0.04 -1.25 -0.47 135.00 143.20 1adn s PRO 68 Ca 0.13 0.61 -0.11 0.00 0.04 0.00 0.00 61.00 61.67 1adn s PRO 68 Cb -0.22 -4.23 0.17 0.00 0.04 0.00 0.00 34.50 30.26 1adn s PRO 68 CO 0.03 -2.20 0.56 0.00 0.04 0.00 0.00 177.00 175.44 1adn h LYS 70 N 7.90 0.28 0.00 0.00 2.10 -1.93 -2.88 116.57 122.04 1adn h LYS 70 Ca -0.05 -0.08 0.00 0.00 -2.00 0.00 0.00 60.65 58.52 1adn h LYS 70 Cb 1.03 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 32.34 1adn h LYS 70 CO 0.81 0.47 0.00 -2.13 -2.00 0.00 0.00 179.45 176.60 1adn n ARG 71 N -4.77 0.00 0.00 0.07 3.00 -1.26 -4.44 116.66 109.27 1adn n ARG 71 Ca -0.05 0.03 0.00 0.00 -0.00 0.00 0.00 57.85 57.83 1adn n ARG 71 Cb 0.20 -0.57 0.00 0.00 0.00 0.00 0.00 32.46 32.09 1adn n ARG 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1adn n GLN 73 N 0.00 0.01 -3.55 0.00 -0.06 -1.26 -4.91 117.38 107.61 1adn n GLN 73 Ca 0.00 0.00 -0.38 0.00 -2.00 0.00 0.00 57.00 54.62 1adn n GLN 73 Cb 0.00 -1.51 -0.06 0.00 -4.06 0.00 0.00 30.24 24.61 1adn n GLN 73 CO 0.00 0.00 0.00 -1.25 -0.20 0.00 0.00 177.06 175.61 1adn s PRO 74 N 7.82 3.89 0.00 3.69 0.04 -1.26 -4.95 135.00 144.23 1adn s PRO 74 Ca 1.30 0.32 0.00 0.00 0.04 0.00 0.00 61.00 62.66 1adn s PRO 74 Cb -1.35 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 29.95 1adn s PRO 74 CO 0.56 0.65 0.00 -3.47 0.04 0.00 0.00 177.00 174.78 1adn n ASP 75 N 2.02 0.00 0.00 6.66 2.03 -1.26 -5.17 116.55 120.83 1adn n ASP 75 Ca -0.14 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.17 1adn n ASP 75 Cb 0.53 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.93 1adn n ASP 75 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1adn n LYS 76 N 0.00 0.00 -0.70 -0.67 2.85 -1.26 -5.06 118.16 113.32 1adn n LYS 76 Ca 0.00 0.00 -0.31 0.00 -1.05 0.00 0.00 58.31 56.95 1adn n LYS 76 Cb 0.00 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 34.32 1adn n LYS 76 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1adn n ALA 77 N -3.00 -0.16 -1.45 0.58 0.00 -1.26 -4.43 120.51 110.79 1adn n ALA 77 Ca 0.00 0.15 -0.45 0.00 0.00 0.00 0.00 53.44 53.14 1adn n ALA 77 Cb 0.00 -0.99 -0.14 0.00 0.00 0.00 0.00 19.45 18.32 1adn n ALA 77 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1adn n ASN 78 N 3.06 0.41 -0.07 0.00 2.85 -1.26 -4.84 115.26 115.41 1adn n ASN 78 Ca 0.23 0.27 -0.03 0.00 -0.11 0.00 0.00 54.58 54.94 1adn n ASN 78 Cb -0.02 -0.92 0.21 0.00 1.24 0.00 0.00 39.78 40.28 1adn n ASN 78 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1adn h PRO 79 N 11.49 0.70 -6.44 1.20 0.13 -1.98 -3.46 132.00 133.63 1adn h PRO 79 Ca -0.06 -0.17 -0.57 0.00 -0.87 0.00 0.00 66.00 64.33 1adn h PRO 79 Cb 1.33 -0.09 0.19 0.00 0.13 0.00 0.00 31.00 32.56 1adn h PRO 79 CO 1.33 0.71 -0.71 0.54 -0.23 0.00 0.00 178.00 179.63 1adn n ARG 80 N -4.24 0.21 -0.27 0.86 1.74 -1.26 -4.82 116.66 108.88 1adn n ARG 80 Ca 0.02 0.10 0.01 0.00 -0.77 0.00 0.00 57.85 57.21 1adn n ARG 80 Cb 0.27 -1.56 -0.01 0.00 -1.02 0.00 0.00 32.46 30.14 1adn n ARG 80 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1adn n GLN 81 N 0.10 -0.67 -3.28 5.56 10.64 -1.26 -4.96 117.38 123.51 1adn n GLN 81 Ca 0.08 0.53 -0.38 0.00 -1.83 0.00 0.00 57.00 55.40 1adn n GLN 81 Cb 0.50 -0.70 -0.06 0.00 -0.86 0.00 0.00 30.24 29.12 1adn n GLN 81 CO 0.00 0.00 0.00 -1.01 -1.83 0.00 0.00 177.06 174.22 1adn s HIS 82 N -3.89 3.57 0.25 2.61 3.76 -1.26 -5.08 115.29 115.25 1adn s HIS 82 Ca 0.00 0.99 -0.30 0.00 -0.15 0.00 0.00 55.06 55.60 1adn s HIS 82 Cb 0.00 -2.56 -0.09 0.00 1.11 0.00 0.00 32.58 31.03 1adn s HIS 82 CO 0.00 0.24 1.01 0.50 -0.85 0.00 0.00 174.74 175.64 1adn s ARG 83 N 0.34 4.75 -0.43 1.40 3.52 -1.26 -5.06 118.95 122.21 1adn s ARG 83 Ca 0.28 1.63 -0.15 0.00 -0.13 0.00 0.00 55.73 57.36 1adn s ARG 83 Cb -0.16 -3.24 0.03 0.00 -1.56 0.00 0.00 34.95 30.02 1adn s ARG 83 CO 0.13 0.37 0.33 -0.51 -0.81 0.00 0.00 175.30 174.80 1adn s LEU 84 N -1.25 5.25 0.05 -0.88 1.43 -1.26 -5.06 118.68 116.95 1adn s LEU 84 Ca 0.43 -1.01 -0.28 0.00 -1.03 0.00 0.00 54.13 52.24 1adn s LEU 84 Cb -0.29 -2.17 0.09 0.00 0.03 0.00 0.00 46.19 43.86 1adn s LEU 84 CO 0.36 -0.51 1.03 -0.62 0.23 0.00 0.00 176.35 176.85 1adn s ASP 85 N 1.93 -0.20 -0.91 2.29 2.15 -1.26 -5.13 116.67 115.55 1adn s ASP 85 Ca 0.05 -0.21 -0.09 0.00 0.43 0.00 0.00 52.55 52.73 1adn s ASP 85 Cb -0.20 0.36 0.23 0.00 -0.30 0.00 0.00 42.92 43.01 1adn s ASP 85 CO 0.09 -0.65 0.85 -0.75 -0.17 0.00 0.00 175.17 174.55 1adn s LYS 86 N -2.99 3.64 -0.04 4.34 2.36 -1.26 -5.05 119.74 120.74 1adn s LYS 86 Ca 0.11 -2.87 0.01 0.00 -2.55 0.00 0.00 55.97 50.67 1adn s LYS 86 Cb 0.00 -4.31 -0.03 0.00 -1.05 0.00 0.00 37.83 32.43 1adn s LYS 86 CO -0.02 -1.25 -0.03 -1.50 1.55 0.00 0.00 175.35 174.09 1adn s ILE 87 N -0.61 3.95 -0.50 5.43 1.10 -1.26 -5.11 121.20 124.21 1adn s ILE 87 Ca 0.24 -0.52 -0.09 0.00 -0.51 0.00 0.00 60.65 59.77 1adn s ILE 87 Cb -0.11 -2.69 0.13 0.00 0.15 0.00 0.00 42.46 39.94 1adn s ILE 87 CO -0.08 0.50 0.36 -0.89 -2.11 0.00 0.00 174.94 172.72 1adn s THR 88 N -0.94 4.18 0.00 4.00 2.01 -1.26 -4.83 115.64 118.80 1adn s THR 88 Ca 0.15 -1.92 0.00 0.00 0.31 0.00 0.00 61.69 60.23 1adn s THR 88 Cb -0.11 -3.75 0.00 0.00 0.01 0.00 0.00 72.50 68.65 1adn s THR 88 CO 0.05 -0.79 0.00 1.57 -0.69 0.00 0.00 174.62 174.76 1adn n HIS 89 N 4.74 0.00 -2.90 4.92 -0.00 -1.26 -5.14 115.22 115.58 1adn n HIS 89 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.67 1adn n HIS 89 Cb 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.40 1adn n HIS 89 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1adn n ALA 90 N -1.96 0.00 0.10 1.57 0.00 -1.26 -3.79 120.51 115.16 1adn n ALA 90 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 1adn n ALA 90 Cb 0.33 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.62 1adn n ALA 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50